smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)ccc1C#N ZINC000414818132 533886046 /nfs/dbraw/zinc/88/60/46/533886046.db2.gz UUXPSGKYCYPJHU-CYBMUJFWSA-N 2 0 295.386 2.876 20 30 CFEDRP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155005533 782157599 /nfs/dbraw/zinc/15/75/99/782157599.db2.gz PIROUDAGQCOMAV-MRXNPFEDSA-N 2 0 299.503 2.735 20 30 CFEDRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000423114536 534350587 /nfs/dbraw/zinc/35/05/87/534350587.db2.gz ZNKRFFYOKGAUKO-CYBMUJFWSA-N 2 0 294.402 2.614 20 30 CFEDRP C=CCOc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000344632018 526905724 /nfs/dbraw/zinc/90/57/24/526905724.db2.gz PKKAXNQRMVEODN-HOCLYGCPSA-N 2 0 274.408 2.824 20 30 CFEDRP C=CCC[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccco1 ZINC000353501016 527447816 /nfs/dbraw/zinc/44/78/16/527447816.db2.gz HKJGHQOLXUCKMO-MRXNPFEDSA-N 2 0 292.423 2.581 20 30 CFEDRP C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000742375987 574326028 /nfs/dbraw/zinc/32/60/28/574326028.db2.gz ZIGKUKZSFXMBMI-IIAWOOMASA-N 2 0 287.407 2.550 20 30 CFEDRP C[N@@H+]1CCC[C@@H]2CN(Cc3csc(C#N)c3)CC[C@H]21 ZINC000892228636 618015351 /nfs/dbraw/zinc/01/53/51/618015351.db2.gz POTDFJYOYUKWMD-UKRRQHHQSA-N 2 0 275.421 2.536 20 30 CFEDRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000925607176 618295785 /nfs/dbraw/zinc/29/57/85/618295785.db2.gz AHRBXLRUCIYSAJ-UONOGXRCSA-N 2 0 275.371 2.693 20 30 CFEDRP C=CCCOCC[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925633468 618365645 /nfs/dbraw/zinc/36/56/45/618365645.db2.gz XHKDJGBQHIZYPP-UHFFFAOYSA-N 2 0 268.445 2.679 20 30 CFEDRP C=CCN(CC=C)[C@H](C[NH2+]CC1CC[NH+](C)CC1)C(C)C ZINC000892552365 618629806 /nfs/dbraw/zinc/62/98/06/618629806.db2.gz VQPCEVNUCOTAGN-GOSISDBHSA-N 2 0 293.499 2.616 20 30 CFEDRP C=CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC000892972730 618787892 /nfs/dbraw/zinc/78/78/92/618787892.db2.gz LFOVUTOKXLULJX-HMQMGEFJSA-N 2 0 271.408 2.914 20 30 CFEDRP CC1(C)C[C@@H]([NH2+]Cc2ccc(CC#N)cc2)C[C@@H]([NH3+])C1 ZINC000925706290 618960640 /nfs/dbraw/zinc/96/06/40/618960640.db2.gz NASQVTHOYRSSKE-CVEARBPZSA-N 2 0 271.408 2.748 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(OCC#N)cc1 ZINC000317375844 619113593 /nfs/dbraw/zinc/11/35/93/619113593.db2.gz HSRHJDDKUCZYNH-USXIJHARSA-N 2 0 299.418 2.866 20 30 CFEDRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(OCC#N)cc1 ZINC000317375847 619113635 /nfs/dbraw/zinc/11/36/35/619113635.db2.gz HSRHJDDKUCZYNH-XIRDDKMYSA-N 2 0 299.418 2.866 20 30 CFEDRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(C#N)c(F)c1 ZINC000925845986 619178092 /nfs/dbraw/zinc/17/80/92/619178092.db2.gz MXHXNLLVNGNXBW-CSMYWGQOSA-N 2 0 287.382 2.880 20 30 CFEDRP N#C[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)C1 ZINC000925885866 619204209 /nfs/dbraw/zinc/20/42/09/619204209.db2.gz AOAGTDKEQPUMIG-XOYOTBSWSA-N 2 0 283.419 2.717 20 30 CFEDRP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887064 619204763 /nfs/dbraw/zinc/20/47/63/619204763.db2.gz QKKUHZRLUQHYEH-OIISXLGYSA-N 2 0 258.409 2.990 20 30 CFEDRP C#CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000175008980 620086979 /nfs/dbraw/zinc/08/69/79/620086979.db2.gz FUMPILHIXMXGIY-IAGOWNOFSA-N 2 0 286.419 2.661 20 30 CFEDRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)C1 ZINC000902392750 621063454 /nfs/dbraw/zinc/06/34/54/621063454.db2.gz LMTAKDAJRALYPE-INIZCTEOSA-N 2 0 271.408 2.620 20 30 CFEDRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cc(C#N)ccn1 ZINC000902999672 621225248 /nfs/dbraw/zinc/22/52/48/621225248.db2.gz DIGPUJIENDSJMV-HNNXBMFYSA-N 2 0 286.423 2.870 20 30 CFEDRP CC(C)(C#N)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000903102048 621253142 /nfs/dbraw/zinc/25/31/42/621253142.db2.gz QPGXZVKEHXIDTP-UHFFFAOYSA-N 2 0 263.429 2.923 20 30 CFEDRP N#CC[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903180209 621276984 /nfs/dbraw/zinc/27/69/84/621276984.db2.gz XOXWHKBCWDMVLH-VUZHLFFPSA-N 2 0 273.424 2.816 20 30 CFEDRP C#C[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903217542 621291456 /nfs/dbraw/zinc/29/14/56/621291456.db2.gz XBYRPZJARGDJFH-SUNLMIOLSA-N 2 0 272.436 2.926 20 30 CFEDRP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903432675 621372768 /nfs/dbraw/zinc/37/27/68/621372768.db2.gz JZZQYVQXDBVETG-CVEARBPZSA-N 2 0 274.408 2.811 20 30 CFEDRP C[C@H]1CCC[N@H+](CC2CCC(C#N)CC2)[C@H]1CC[NH3+] ZINC000903460617 621381046 /nfs/dbraw/zinc/38/10/46/621381046.db2.gz FRWDTQSTPMTLIQ-LBDPXKHJSA-N 2 0 263.429 2.766 20 30 CFEDRP C[C@@H]1CCC[N@H+](CC2CCC(C#N)CC2)[C@H]1CC[NH3+] ZINC000903460618 621381535 /nfs/dbraw/zinc/38/15/35/621381535.db2.gz FRWDTQSTPMTLIQ-LMPOIIKSSA-N 2 0 263.429 2.766 20 30 CFEDRP N#CC1CCC(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000903451848 621386997 /nfs/dbraw/zinc/38/69/97/621386997.db2.gz FDIHVJMQNWEJOK-VMBOVVBDSA-N 2 0 275.440 2.638 20 30 CFEDRP N#CC1CCC(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)CC1 ZINC000903454079 621388074 /nfs/dbraw/zinc/38/80/74/621388074.db2.gz UKSJWCSWWDFVFW-BACDZXNISA-N 2 0 275.440 2.780 20 30 CFEDRP N#CC1CCC(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000903481971 621391662 /nfs/dbraw/zinc/39/16/62/621391662.db2.gz SGDVNNRDRJBCLA-OFLPRAFFSA-N 2 0 275.440 2.782 20 30 CFEDRP C=CC[N@@H+](Cc1cccs1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718416 621425422 /nfs/dbraw/zinc/42/54/22/621425422.db2.gz MEMMRSGPAYQAET-GOEBONIOSA-N 2 0 292.448 2.505 20 30 CFEDRP N#CCc1cccc2c1CC[N@H+](C[C@H]1CCCC[NH2+]C1)C2 ZINC000903776307 621440025 /nfs/dbraw/zinc/44/00/25/621440025.db2.gz SAYBHWSBCXEDDC-HNNXBMFYSA-N 2 0 283.419 2.500 20 30 CFEDRP N#CC1(CCCCN2CCC[C@H]3C[NH2+]CC[C@@H]32)CCC1 ZINC000903781913 621441150 /nfs/dbraw/zinc/44/11/50/621441150.db2.gz XBZKAGAMFLVTOQ-HOTGVXAUSA-N 2 0 275.440 2.924 20 30 CFEDRP CC(C)C[C@H]([NH3+])C[NH2+]C(C)(C)Cc1ccc(C#N)cc1 ZINC000903987356 621499506 /nfs/dbraw/zinc/49/95/06/621499506.db2.gz CZDNGMFIWUJNKL-INIZCTEOSA-N 2 0 273.424 2.842 20 30 CFEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CCN1c1cc[nH+]cc1 ZINC000819924215 622573321 /nfs/dbraw/zinc/57/33/21/622573321.db2.gz IGDXVSXUUYRPEF-OAHLLOKOSA-N 2 0 292.386 2.664 20 30 CFEDRP CCCC[NH+]=C(NC[C@@H]1CC[N@@H+](C(C)C)C1)NC(C)(C)C ZINC000912496985 622726701 /nfs/dbraw/zinc/72/67/01/622726701.db2.gz JTFDITYLXFVUID-HNNXBMFYSA-N 2 0 296.503 2.851 20 30 CFEDRP CCCCCCNC(=[NH2+])NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000157390004 623033483 /nfs/dbraw/zinc/03/34/83/623033483.db2.gz CRSPKYLSSUKHTN-MRXNPFEDSA-N 2 0 296.503 2.839 20 30 CFEDRP C#Cc1ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc1 ZINC000824914588 623586743 /nfs/dbraw/zinc/58/67/43/623586743.db2.gz VUGZXNXKBWMOGY-UHFFFAOYSA-N 2 0 258.409 2.878 20 30 CFEDRP C[N@@H+]1CCC[C@H]2C[NH+](CC3CCC(C#N)CC3)CC[C@H]21 ZINC000929849369 623939257 /nfs/dbraw/zinc/93/92/57/623939257.db2.gz XMGYOGLBWHHRGT-SJJHQCBESA-N 2 0 275.440 2.732 20 30 CFEDRP CCCCCCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830638286 624799124 /nfs/dbraw/zinc/79/91/24/624799124.db2.gz ZBTDKBOIDAXFGZ-UHFFFAOYSA-N 2 0 268.445 2.753 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000921620835 625998674 /nfs/dbraw/zinc/99/86/74/625998674.db2.gz VGPGJOOEUXCZNI-MRXNPFEDSA-N 2 0 285.435 2.995 20 30 CFEDRP C[N@H+](CCCC[NH2+]Cc1csc(C#N)c1)C1CC1 ZINC000922172686 626229582 /nfs/dbraw/zinc/22/95/82/626229582.db2.gz WAARQEWWCGFZIB-UHFFFAOYSA-N 2 0 263.410 2.584 20 30 CFEDRP C[NH+](C)CC[C@H]([NH2+]CC(C)(C)CCC#N)c1cccnc1 ZINC000922626987 626327273 /nfs/dbraw/zinc/32/72/73/626327273.db2.gz DQUUZBHMSLJRNU-INIZCTEOSA-N 2 0 288.439 2.994 20 30 CFEDRP C=CC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775695307 628055848 /nfs/dbraw/zinc/05/58/48/628055848.db2.gz SUMLZALOPROJBT-UHFFFAOYSA-N 2 0 299.462 2.836 20 30 CFEDRP CCCCCCCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000852706907 634812016 /nfs/dbraw/zinc/81/20/16/634812016.db2.gz CMTZOMSSHDGQDX-QGZVFWFLSA-N 2 0 282.472 2.878 20 30 CFEDRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(OCC#N)cc1 ZINC000844924893 632338795 /nfs/dbraw/zinc/33/87/95/632338795.db2.gz NJHFYTVTRAQODN-AWEZNQCLSA-N 2 0 287.407 2.629 20 30 CFEDRP CCCCCCC[NH+]1CCC([NH2+]CCOC)CC1 ZINC000846223565 632668580 /nfs/dbraw/zinc/66/85/80/632668580.db2.gz UQAOIPZJEXRYSJ-UHFFFAOYSA-N 2 0 256.434 2.657 20 30 CFEDRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1C#N ZINC000817915729 632732307 /nfs/dbraw/zinc/73/23/07/632732307.db2.gz QNDBATXEWWXPKT-GVDBMIGSSA-N 2 0 299.418 2.577 20 30 CFEDRP C=CCCCCCC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000817932789 632740748 /nfs/dbraw/zinc/74/07/48/632740748.db2.gz WQHPAVUOZNYOSR-GVDBMIGSSA-N 2 0 280.456 2.870 20 30 CFEDRP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000817951872 632752566 /nfs/dbraw/zinc/75/25/66/632752566.db2.gz BEXYTXGGAZSSOZ-CQSZACIVSA-N 2 0 275.396 2.628 20 30 CFEDRP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000817951870 632752840 /nfs/dbraw/zinc/75/28/40/632752840.db2.gz BEXYTXGGAZSSOZ-AWEZNQCLSA-N 2 0 275.396 2.628 20 30 CFEDRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(OCC#N)cc1 ZINC000817964993 632762941 /nfs/dbraw/zinc/76/29/41/632762941.db2.gz MDFUKIGZBCIRTO-AWEZNQCLSA-N 2 0 287.407 2.629 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(OCC#N)cc1 ZINC000817969352 632769001 /nfs/dbraw/zinc/76/90/01/632769001.db2.gz CASGEMCUTMUPOB-NWANDNLSSA-N 2 0 273.380 2.509 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000817980418 632776720 /nfs/dbraw/zinc/77/67/20/632776720.db2.gz LDRMBCSQOXRBOE-DOTOQJQBSA-N 2 0 286.419 2.881 20 30 CFEDRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(OCC#N)cc1 ZINC000817980112 632777270 /nfs/dbraw/zinc/77/72/70/632777270.db2.gz IUFJLCYNLFTUIU-ZBFHGGJFSA-N 2 0 287.407 2.772 20 30 CFEDRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(OCC#N)cc1 ZINC000817985085 632782139 /nfs/dbraw/zinc/78/21/39/632782139.db2.gz GSZRDHRIQHDQCL-CQSZACIVSA-N 2 0 285.391 2.549 20 30 CFEDRP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(OCC#N)cc1 ZINC000817985491 632782228 /nfs/dbraw/zinc/78/22/28/632782228.db2.gz KPZAGOXHGZYIIR-ZBFHGGJFSA-N 2 0 299.418 2.914 20 30 CFEDRP C[NH+](C)Cc1ccc(C[N@H+](C)[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000859212427 636507777 /nfs/dbraw/zinc/50/77/77/636507777.db2.gz JQIFPRBDWPRGEB-SJORKVTESA-N 2 0 271.408 2.872 20 30 CFEDRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000866468275 638826606 /nfs/dbraw/zinc/82/66/06/638826606.db2.gz DGNHWOGCAKWKOO-HZPDHXFCSA-N 2 0 263.429 2.779 20 30 CFEDRP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)C1CC[NH2+]CC1 ZINC000873269003 642111284 /nfs/dbraw/zinc/11/12/84/642111284.db2.gz JRKSTBCYJGZCEJ-NEPJUHHUSA-N 2 0 275.371 2.736 20 30 CFEDRP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c3ccccc31)C2 ZINC000873274943 642115534 /nfs/dbraw/zinc/11/55/34/642115534.db2.gz HXWYETFUOLPIIZ-LZQZEXGQSA-N 2 0 289.382 2.760 20 30 CFEDRP C#CCCCCCC[NH2+]CC1CC[NH+](CC)CC1 ZINC000877019298 643106070 /nfs/dbraw/zinc/10/60/70/643106070.db2.gz JNYZYSNDVSYTGV-UHFFFAOYSA-N 2 0 250.430 2.892 20 30 CFEDRP C[C@H](CCC#N)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000877497189 643310041 /nfs/dbraw/zinc/31/00/41/643310041.db2.gz JBJUSZNYNFSWIJ-OAHLLOKOSA-N 2 0 263.429 2.734 20 30 CFEDRP C#CCCCCC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000878162616 643769754 /nfs/dbraw/zinc/76/97/54/643769754.db2.gz HRRNIFHYMNWYJY-JKSUJKDBSA-N 2 0 250.430 2.985 20 30 CFEDRP C#CCCCCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000878550081 643937991 /nfs/dbraw/zinc/93/79/91/643937991.db2.gz VCZSFTSQMWZPPH-UHFFFAOYSA-N 2 0 262.441 2.988 20 30 CFEDRP C[N@@H+](CCc1cccc(C#N)c1)CC[C@@H]1CCCC[NH+]1C ZINC000879434608 644271702 /nfs/dbraw/zinc/27/17/02/644271702.db2.gz LVZFQZNCHSEDLA-SFHVURJKSA-N 2 0 285.435 2.907 20 30 CFEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NCC[NH+]1CCCCC1 ZINC000303780448 651002400 /nfs/dbraw/zinc/00/24/00/651002400.db2.gz LJGKVJKVMIWFTI-HNNXBMFYSA-N 2 0 282.476 2.591 20 30 CFEDRP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCCCC1)CC(C)C ZINC000303790350 651002711 /nfs/dbraw/zinc/00/27/11/651002711.db2.gz WCFKBLYMTSJVKG-HNNXBMFYSA-N 2 0 282.476 2.544 20 30 CFEDRP CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@H]2CC[N@H+](C)C2)cc1 ZINC000303900213 651008151 /nfs/dbraw/zinc/00/81/51/651008151.db2.gz SDCUYKIOGRFSTK-ZIAGYGMSSA-N 2 0 288.439 2.878 20 30 CFEDRP CCc1cccc(NC(=[NH2+])NC[C@H](CC)[NH+]2CCCC2)c1 ZINC000303876168 651004801 /nfs/dbraw/zinc/00/48/01/651004801.db2.gz DSUYIGUENLQHEE-INIZCTEOSA-N 2 0 288.439 2.850 20 30 CFEDRP Cc1ccc(NC(=[NH2+])NCC[N@H+]2CCCC[C@H]2C)cc1C ZINC000303872639 651005302 /nfs/dbraw/zinc/00/53/02/651005302.db2.gz CDDOFJOMOBMWTL-OAHLLOKOSA-N 2 0 288.439 2.904 20 30 CFEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@@H](C)C[NH+]1CCCC1 ZINC000303883193 651006626 /nfs/dbraw/zinc/00/66/26/651006626.db2.gz MADYUFOBCKHSTI-CVEARBPZSA-N 2 0 296.503 2.837 20 30 CFEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])N[C@@H](C)CCCC(C)C)C1 ZINC000303885533 651006635 /nfs/dbraw/zinc/00/66/35/651006635.db2.gz NHHRNQRKZQTJIM-HOTGVXAUSA-N 2 0 296.503 2.837 20 30 CFEDRP CCc1ccc(NC(=[NH2+])NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000303909655 651008742 /nfs/dbraw/zinc/00/87/42/651008742.db2.gz YJRUZFWSHJYYEJ-CQSZACIVSA-N 2 0 288.439 2.850 20 30 CFEDRP CCc1cccc(NC(=[NH2+])NCC[N@@H+](C)[C@H](C)CC)c1 ZINC000303982255 651011381 /nfs/dbraw/zinc/01/13/81/651011381.db2.gz QATWSPKBYMUIEL-CYBMUJFWSA-N 2 0 276.428 2.706 20 30 CFEDRP [NH2+]=C(NCCCCC[NH+]1CCCCC1)NC1CCCCC1 ZINC000304741847 651031151 /nfs/dbraw/zinc/03/11/51/651031151.db2.gz CHZMNMYODZLPET-UHFFFAOYSA-N 2 0 294.487 2.880 20 30 CFEDRP CC(C)CNC(=[NH2+])NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000304754876 651032442 /nfs/dbraw/zinc/03/24/42/651032442.db2.gz MGKLAZZQLDGHPM-AWEZNQCLSA-N 2 0 290.455 2.676 20 30 CFEDRP CC(C)c1cccc(NC(=[NH2+])NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000304759672 651033113 /nfs/dbraw/zinc/03/31/13/651033113.db2.gz RLIVBGRFXUTDEQ-CQSZACIVSA-N 2 0 288.439 2.878 20 30 CFEDRP C#CCSCC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886550438 647043871 /nfs/dbraw/zinc/04/38/71/647043871.db2.gz ZWFKSAVIHHCLQE-UHFFFAOYSA-N 2 0 280.481 2.740 20 30 CFEDRP CCN(CC)c1ccc(/C=[NH+]\C[C@@H]2CCN2CC)c(O)c1 ZINC000887270526 647256667 /nfs/dbraw/zinc/25/66/67/647256667.db2.gz PCIZSIMOUKKLQB-JIHKLPAASA-N 2 0 289.423 2.752 20 30 CFEDRP C=C(C)COCC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925618859 648242658 /nfs/dbraw/zinc/24/26/58/648242658.db2.gz KBJQBNDBNKOYOJ-INIZCTEOSA-N 2 0 262.397 2.649 20 30 CFEDRP CC[C@@H](C#N)Oc1cccc(CN[C@H]2CC[NH2+]C23CCC3)c1 ZINC000925620726 648243945 /nfs/dbraw/zinc/24/39/45/648243945.db2.gz XWHCXLVKASUQIV-RDJZCZTQSA-N 2 0 299.418 2.742 20 30 CFEDRP N#Cc1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)nc1 ZINC000925673766 648274789 /nfs/dbraw/zinc/27/47/89/648274789.db2.gz PRTWTSYJLSYXNT-KRWDZBQOSA-N 2 0 280.375 2.523 20 30 CFEDRP C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925691276 648281249 /nfs/dbraw/zinc/28/12/49/648281249.db2.gz NSCDUWZMCYNNBU-KCTOORRSSA-N 2 0 282.431 2.760 20 30 CFEDRP C=CCCSCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925708650 648289883 /nfs/dbraw/zinc/28/98/83/648289883.db2.gz RMEVHGIGHIJQLG-QWHCGFSZSA-N 2 0 256.459 2.791 20 30 CFEDRP CC[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(C#N)cc1 ZINC000925803518 648328137 /nfs/dbraw/zinc/32/81/37/648328137.db2.gz QMQGTXOFEQAPHB-XYPHTWIQSA-N 2 0 271.408 2.845 20 30 CFEDRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)CC(C)(C)C#N ZINC000926645072 648560584 /nfs/dbraw/zinc/56/05/84/648560584.db2.gz NORHEGJCJFTZTC-CQSZACIVSA-N 2 0 253.434 2.882 20 30 CFEDRP C[N@H+](CC1CCC(C#N)CC1)C[C@H]1CCC[NH+](C)C1 ZINC000929700628 649100782 /nfs/dbraw/zinc/10/07/82/649100782.db2.gz FRYOTDJYNBJDAZ-GPANFISMSA-N 2 0 263.429 2.590 20 30 CFEDRP C#CCCCCCC[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931311553 649404767 /nfs/dbraw/zinc/40/47/67/649404767.db2.gz JHANXJKABSIQAP-CALCHBBNSA-N 2 0 262.441 2.844 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000931718550 649477827 /nfs/dbraw/zinc/47/78/27/649477827.db2.gz BAAKPGCXWWXLLO-DLBZAZTESA-N 2 0 283.419 2.844 20 30 CFEDRP C[NH+](C)CC1CC[NH+](CCCc2ccc(C#N)cc2)CC1 ZINC001208857541 769947481 /nfs/dbraw/zinc/94/74/81/769947481.db2.gz GNVXJDVHVDBQPB-UHFFFAOYSA-N 2 0 285.435 2.764 20 30 CFEDRP C#CC[N@H+](C)CCCNc1cc(C)[nH+]c2ccccc12 ZINC000328007325 775696096 /nfs/dbraw/zinc/69/60/96/775696096.db2.gz PFHVMSSSIAPBBT-UHFFFAOYSA-N 2 0 267.376 2.910 20 30 CFEDRP C#CCN(C)CCC[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000328165860 775731423 /nfs/dbraw/zinc/73/14/23/775731423.db2.gz JDNJMQNXHIIVMO-HOTGVXAUSA-N 2 0 250.430 2.746 20 30 CFEDRP C#CCN(C)CCC[NH2+][C@H]1C[C@H](OCC)C12CCCCC2 ZINC000328172695 775731954 /nfs/dbraw/zinc/73/19/54/775731954.db2.gz KZRJKQOUGBQVRK-IRXDYDNUSA-N 2 0 292.467 2.659 20 30 CFEDRP C#CCN(C)CCC[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000328259365 775736892 /nfs/dbraw/zinc/73/68/92/775736892.db2.gz LAVPAMQFIYUVCI-HNNXBMFYSA-N 2 0 258.409 2.855 20 30 CFEDRP C#CCN(C)CCC[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000328259193 775736963 /nfs/dbraw/zinc/73/69/63/775736963.db2.gz KYCQKQRYISWTGC-KRWDZBQOSA-N 2 0 256.393 2.527 20 30 CFEDRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000695793043 776012487 /nfs/dbraw/zinc/01/24/87/776012487.db2.gz XEKILURIZCFZHQ-KGLIPLIRSA-N 2 0 251.418 2.636 20 30 CFEDRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001167838883 776591285 /nfs/dbraw/zinc/59/12/85/776591285.db2.gz XAZIFHJGQCLDIX-GJZGRUSLSA-N 2 0 251.418 2.732 20 30 CFEDRP C=C(C)CCc1ccccc1NC(=[NH2+])NCCCC[NH3+] ZINC001167877685 776712861 /nfs/dbraw/zinc/71/28/61/776712861.db2.gz ABFZRGNYCFZFDD-UHFFFAOYSA-N 2 0 274.412 2.870 20 30 CFEDRP C#CCOc1ccc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC001235135193 778395457 /nfs/dbraw/zinc/39/54/57/778395457.db2.gz LTWSRBKSWBHVTA-UHFFFAOYSA-N 2 0 298.430 2.664 20 30 CFEDRP N#Cc1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235231569 778422818 /nfs/dbraw/zinc/42/28/18/778422818.db2.gz UCFNFACWIGLFNA-SFHVURJKSA-N 2 0 283.419 2.912 20 30 CFEDRP C#CCOc1ccc(C[N@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC001235716453 778546184 /nfs/dbraw/zinc/54/61/84/778546184.db2.gz CMGSMCYOQMQWQA-UHFFFAOYSA-N 2 0 286.419 2.520 20 30 CFEDRP CCCCCCCN(CC[NH+](C)C)C1CC[NH2+]CC1 ZINC001236912491 778981384 /nfs/dbraw/zinc/98/13/84/778981384.db2.gz RTAKOTWWQYFGDI-UHFFFAOYSA-N 2 0 269.477 2.572 20 30 CFEDRP CCc1cc(C[N@H+](C)CCC2CC[NH2+]CC2)ccc1C#N ZINC001235717803 779368979 /nfs/dbraw/zinc/36/89/79/779368979.db2.gz MPISOZKMHVSVEN-UHFFFAOYSA-N 2 0 285.435 2.942 20 30 CFEDRP CCc1cc(CN(CC)CCC[NH+](C)C)ccc1C#N ZINC001238768512 779386887 /nfs/dbraw/zinc/38/68/87/779386887.db2.gz KGNCIYBTFTUUEG-UHFFFAOYSA-N 2 0 273.424 2.894 20 30 CFEDRP C=CCCC[NH2+]CCCNC(=O)C[N@@H+](C)CCCCCC ZINC001168615686 780075904 /nfs/dbraw/zinc/07/59/04/780075904.db2.gz RULYXLGEHLLUPL-UHFFFAOYSA-N 2 0 297.487 2.561 20 30 CFEDRP N#Cc1cc(-c2cccc3c2C[NH2+]C3)cc(C2C[NH2+]C2)c1 ZINC001240350476 780101913 /nfs/dbraw/zinc/10/19/13/780101913.db2.gz CRAIRNFQFMLKDP-UHFFFAOYSA-N 2 0 275.355 2.515 20 30 CFEDRP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000700820359 780727402 /nfs/dbraw/zinc/72/74/02/780727402.db2.gz XHQMENCLDZWPCA-KGLIPLIRSA-N 2 0 251.418 2.636 20 30 CFEDRP N#Cc1ccc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)cn1 ZINC001241434123 780881026 /nfs/dbraw/zinc/88/10/26/780881026.db2.gz FTYMKIJMZIBUMV-UHFFFAOYSA-N 2 0 292.386 2.543 20 30 CFEDRP C[NH+](C)C1(C)CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000709894343 781321336 /nfs/dbraw/zinc/32/13/36/781321336.db2.gz WRJLVYSOJOXEPC-UHFFFAOYSA-N 2 0 251.418 2.732 20 30 CFEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000594584543 349451493 /nfs/dbraw/zinc/45/14/93/349451493.db2.gz UWNRTLDLVICFDZ-QWHCGFSZSA-N 2 0 263.772 2.571 20 30 CFEDRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594925154 349511467 /nfs/dbraw/zinc/51/14/67/349511467.db2.gz LKHHCQJDZPJPEB-MRXNPFEDSA-N 2 0 283.419 2.673 20 30 CFEDRP C[C@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)C[NH+](C)C ZINC000594944369 349522806 /nfs/dbraw/zinc/52/28/06/349522806.db2.gz OLVPKAVKVFIQBL-CQSZACIVSA-N 2 0 271.408 2.529 20 30 CFEDRP C=CCCSCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000594959764 349530111 /nfs/dbraw/zinc/53/01/11/349530111.db2.gz CLDWMGUBFQFZIZ-ZIAGYGMSSA-N 2 0 254.443 2.512 20 30 CFEDRP C=CCCSCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000595059196 349570681 /nfs/dbraw/zinc/57/06/81/349570681.db2.gz MJJZXEYXBFEYFK-RBSFLKMASA-N 2 0 268.470 2.758 20 30 CFEDRP C[C@H]([NH2+]CC1(C#N)CCCCC1)C1CC[NH+](C)CC1 ZINC000595089955 349577604 /nfs/dbraw/zinc/57/76/04/349577604.db2.gz ARVQVBBIZZWAQI-AWEZNQCLSA-N 2 0 263.429 2.780 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccc(C#N)cc2)C[C@@H]1C ZINC000595346841 349607531 /nfs/dbraw/zinc/60/75/31/349607531.db2.gz MGYLJZRVSAFPIR-YJBOKZPZSA-N 2 0 285.435 2.905 20 30 CFEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000595375847 349612108 /nfs/dbraw/zinc/61/21/08/349612108.db2.gz FAKHJLLJVFLCDR-MAUKXSAKSA-N 2 0 285.435 2.763 20 30 CFEDRP Cc1cc(C#N)ccc1CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595504451 349644829 /nfs/dbraw/zinc/64/48/29/349644829.db2.gz JOHDUUSCNUTYKU-SFHVURJKSA-N 2 0 283.419 2.784 20 30 CFEDRP N#Cc1ccc(CC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000595895753 349764103 /nfs/dbraw/zinc/76/41/03/349764103.db2.gz UKONSEKYOHKBMT-ROUUACIJSA-N 2 0 283.419 2.565 20 30 CFEDRP N#Cc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000596060036 349784277 /nfs/dbraw/zinc/78/42/77/349784277.db2.gz YDBWQRYLGBAUMP-SFHVURJKSA-N 2 0 283.419 2.770 20 30 CFEDRP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000596095392 349793889 /nfs/dbraw/zinc/79/38/89/349793889.db2.gz PZITXJMYVAOTPA-BRWVUGGUSA-N 2 0 275.440 2.780 20 30 CFEDRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000596655081 349969622 /nfs/dbraw/zinc/96/96/22/349969622.db2.gz SRNOVPDZFLEOCO-XHDPSFHLSA-N 2 0 263.360 2.721 20 30 CFEDRP N#CC1(c2ccccc2)CCC([NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000596653896 349969727 /nfs/dbraw/zinc/96/97/27/349969727.db2.gz MFGLWVNNNVLARR-UHFFFAOYSA-N 2 0 295.430 2.732 20 30 CFEDRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000596652074 349968784 /nfs/dbraw/zinc/96/87/84/349968784.db2.gz GDZBJZYDHYMBAH-HZPDHXFCSA-N 2 0 257.381 2.509 20 30 CFEDRP C[NH+](C)CCC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000056523884 346610656 /nfs/dbraw/zinc/61/06/56/346610656.db2.gz LTUYYJORWBWGDQ-UHFFFAOYSA-N 2 0 271.408 2.722 20 30 CFEDRP CC[NH+](CC)CCOC1CC[NH+](CCCCC#N)CC1 ZINC000080645813 347371777 /nfs/dbraw/zinc/37/17/77/347371777.db2.gz ZNFPSMCFLGYQOF-UHFFFAOYSA-N 2 0 281.444 2.503 20 30 CFEDRP C[C@@H](CCC#N)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000590593794 348912225 /nfs/dbraw/zinc/91/22/25/348912225.db2.gz ISHSZTDWZBIONU-INIZCTEOSA-N 2 0 293.455 2.503 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000591578389 349032006 /nfs/dbraw/zinc/03/20/06/349032006.db2.gz YPAUMUOCTJDMTH-VYDXJSESSA-N 2 0 269.392 2.795 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000591580480 349032673 /nfs/dbraw/zinc/03/26/73/349032673.db2.gz JWAAPTJTABKXOQ-BMFAXAFESA-N 2 0 295.430 2.913 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000591686617 349038583 /nfs/dbraw/zinc/03/85/83/349038583.db2.gz WFLLTCMCVJELEQ-IXDOHACOSA-N 2 0 269.392 2.795 20 30 CFEDRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000593324569 349247402 /nfs/dbraw/zinc/24/74/02/349247402.db2.gz XIIKWPWAKBLLFI-ZDUSSCGKSA-N 2 0 257.381 2.599 20 30 CFEDRP N#Cc1ccccc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000598682540 350309868 /nfs/dbraw/zinc/30/98/68/350309868.db2.gz OKVYISSXNUDIOX-QGZVFWFLSA-N 2 0 283.419 2.770 20 30 CFEDRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000599071785 350371194 /nfs/dbraw/zinc/37/11/94/350371194.db2.gz SWIKSMHOZHEHNP-HOCLYGCPSA-N 2 0 271.408 2.941 20 30 CFEDRP CC[N@H+](CCCC#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000599657675 350475378 /nfs/dbraw/zinc/47/53/78/350475378.db2.gz KDHZIWAGIVTPKJ-UHFFFAOYSA-N 2 0 259.397 2.874 20 30 CFEDRP N#Cc1c(F)cccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000602018186 350833039 /nfs/dbraw/zinc/83/30/39/350833039.db2.gz WQMIHXFOMHWKMW-UHFFFAOYSA-N 2 0 287.382 2.661 20 30 CFEDRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cccc(C#N)c1 ZINC000602022871 350834874 /nfs/dbraw/zinc/83/48/74/350834874.db2.gz WNLWWKHNOFMEGV-BBRMVZONSA-N 2 0 271.408 2.987 20 30 CFEDRP C[C@@H](CCC#N)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000602477092 350898981 /nfs/dbraw/zinc/89/89/81/350898981.db2.gz QRGYQJDFXJBPJK-HNNXBMFYSA-N 2 0 265.445 2.980 20 30 CFEDRP C[C@H](CCC#N)C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000602504818 350908021 /nfs/dbraw/zinc/90/80/21/350908021.db2.gz WGDYFZXJMPTUCP-HUUCEWRRSA-N 2 0 251.418 2.780 20 30 CFEDRP CC1CC[NH+](CCCC[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602515807 350912141 /nfs/dbraw/zinc/91/21/41/350912141.db2.gz YOXGJZQKDYAUJU-UHFFFAOYSA-N 2 0 286.423 2.555 20 30 CFEDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](C)CCC#N)C1 ZINC000602575981 350931123 /nfs/dbraw/zinc/93/11/23/350931123.db2.gz ZNUCXRUIROEDBK-JKSUJKDBSA-N 2 0 265.445 2.884 20 30 CFEDRP N#CC1CCC([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000602583273 350934431 /nfs/dbraw/zinc/93/44/31/350934431.db2.gz WWEINBYZMZNYBT-UHFFFAOYSA-N 2 0 298.434 2.970 20 30 CFEDRP C[C@H](CCC#N)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000602440473 350883815 /nfs/dbraw/zinc/88/38/15/350883815.db2.gz PKFACOSMGGEMPR-OAHLLOKOSA-N 2 0 263.429 2.734 20 30 CFEDRP CC[N@H+](CCC[NH+]1CCCC1)C[C@H](C)CCC#N ZINC000602664374 350967425 /nfs/dbraw/zinc/96/74/25/350967425.db2.gz VVINZKGFORVTNR-OAHLLOKOSA-N 2 0 251.418 2.734 20 30 CFEDRP C[C@@H](CC[NH2+]C1CCC(C#N)CC1)[NH+]1CCCCC1 ZINC000602607187 350943336 /nfs/dbraw/zinc/94/33/36/350943336.db2.gz IAVNSAMUFQJIEH-FHERZECASA-N 2 0 263.429 2.923 20 30 CFEDRP C[C@@H]1C[C@H](N(C)Cc2ccc(C#N)cc2F)CC[N@@H+]1C ZINC000123841267 187110932 /nfs/dbraw/zinc/11/09/32/187110932.db2.gz OAGDRJRAXRBSQO-IUODEOHRSA-N 2 0 275.371 2.612 20 30 CFEDRP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000618801351 352883271 /nfs/dbraw/zinc/88/32/71/352883271.db2.gz ADRPYPDNCWZYOW-RYRKJORJSA-N 2 0 281.403 2.762 20 30 CFEDRP C=CC[C@H](CO)[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000680484509 540230030 /nfs/dbraw/zinc/23/00/30/540230030.db2.gz LHWYHGODPLSTNU-QGZVFWFLSA-N 2 0 290.451 2.671 20 30 CFEDRP C(#CC[NH+]1CCC2(CC2)CC1)C[NH+]1CCC2(CC2)CC1 ZINC000671242537 540589244 /nfs/dbraw/zinc/58/92/44/540589244.db2.gz KSIFTKLQWCFLLH-UHFFFAOYSA-N 2 0 272.436 2.742 20 30 CFEDRP N#Cc1cccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000423097213 238199931 /nfs/dbraw/zinc/19/99/31/238199931.db2.gz JEHSHLKUQSDUET-QZTJIDSGSA-N 2 0 277.371 2.835 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(C#N)cc1 ZINC000401169391 299394966 /nfs/dbraw/zinc/39/49/66/299394966.db2.gz WELUMUBUMLEJPA-WBQNTZJQSA-N 2 0 269.392 2.597 20 30 CFEDRP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)C[NH+]1CCCCC1 ZINC000037997648 372755340 /nfs/dbraw/zinc/75/53/40/372755340.db2.gz SINCEWCFOGCLRL-HNNXBMFYSA-N 2 0 271.408 2.770 20 30 CFEDRP C=CCOc1ccccc1C[NH2+]CCCC[NH+](C)C ZINC000045598397 373023012 /nfs/dbraw/zinc/02/30/12/373023012.db2.gz SZFOGBPBHWEIQL-UHFFFAOYSA-N 2 0 262.397 2.683 20 30 CFEDRP CC(C)c1cccc(NC(=[NH2+])NCCN(C)C2CC2)c1 ZINC000264077331 383693237 /nfs/dbraw/zinc/69/32/37/383693237.db2.gz GGCABAJNBKVVOK-UHFFFAOYSA-N 2 0 274.412 2.631 20 30 CFEDRP Cc1ccc(NC(=[NH2+])NCC(C)(C)C[NH+](C)C)cc1C ZINC000264140079 383698908 /nfs/dbraw/zinc/69/89/08/383698908.db2.gz WDRQVZHFQSMVDH-UHFFFAOYSA-N 2 0 276.428 2.618 20 30 CFEDRP C=CC[NH+](CC=C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678121060 541956357 /nfs/dbraw/zinc/95/63/57/541956357.db2.gz YJZLSGLMRRFYDS-UHFFFAOYSA-N 2 0 274.408 2.801 20 30 CFEDRP C=C(C)COCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000090451242 375015558 /nfs/dbraw/zinc/01/55/58/375015558.db2.gz WGZRUKBDCAFYGB-UHFFFAOYSA-N 2 0 280.456 2.966 20 30 CFEDRP C=C(C)CNC(=[NH2+])NC[C@@H](c1ccsc1)N(CC)CC ZINC000104166786 375772050 /nfs/dbraw/zinc/77/20/50/375772050.db2.gz ABWMCCDRJQAEJC-AWEZNQCLSA-N 2 0 294.468 2.611 20 30 CFEDRP CCN1CCC([N@H+](C)CC(C)(C)CCC#N)CC1 ZINC000125294158 377138313 /nfs/dbraw/zinc/13/83/13/377138313.db2.gz JJUYBNSERXVJKK-UHFFFAOYSA-N 2 0 251.418 2.732 20 30 CFEDRP C#CCCOc1ccc(C[NH2+]CCCC[NH+](C)C)cc1 ZINC000264936328 190146049 /nfs/dbraw/zinc/14/60/49/190146049.db2.gz CWSTWICOAOHEAY-UHFFFAOYSA-N 2 0 274.408 2.520 20 30 CFEDRP C#CCCOc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000264963662 190148317 /nfs/dbraw/zinc/14/83/17/190148317.db2.gz OVBNCJCJNZPSAP-OAHLLOKOSA-N 2 0 274.408 2.519 20 30 CFEDRP N#Cc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000152682665 378437016 /nfs/dbraw/zinc/43/70/16/378437016.db2.gz FGBCMXYXODIWSG-UHFFFAOYSA-N 2 0 289.448 2.928 20 30 CFEDRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(C#N)cc1)CC[NH2+]CC2 ZINC000335279531 379017827 /nfs/dbraw/zinc/01/78/27/379017827.db2.gz QNBVLRJZGPDWTB-AWEZNQCLSA-N 2 0 269.392 2.522 20 30 CFEDRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000169781447 379110478 /nfs/dbraw/zinc/11/04/78/379110478.db2.gz HQGLCIOICFCJII-GOSISDBHSA-N 2 0 283.419 2.722 20 30 CFEDRP N#Cc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000335537446 379474566 /nfs/dbraw/zinc/47/45/66/379474566.db2.gz BWCHCMNBVSOPDW-SJORKVTESA-N 2 0 269.392 2.522 20 30 CFEDRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc(C#N)cs3)C2)CC1 ZINC000335673949 379701049 /nfs/dbraw/zinc/70/10/49/379701049.db2.gz IBPUDRHPZSJNSS-HNNXBMFYSA-N 2 0 289.448 2.783 20 30 CFEDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000175008626 379978109 /nfs/dbraw/zinc/97/81/09/379978109.db2.gz ITRTZUUISFVHNK-HZPDHXFCSA-N 2 0 257.381 2.521 20 30 CFEDRP N#C[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000336423237 380343828 /nfs/dbraw/zinc/34/38/28/380343828.db2.gz BUSUDWWJEKRUJE-ZFWWWQNUSA-N 2 0 261.413 2.675 20 30 CFEDRP C#Cc1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000368014189 380883169 /nfs/dbraw/zinc/88/31/69/380883169.db2.gz DYHMSKMFEIMYHC-CEXWTWQISA-N 2 0 280.415 2.584 20 30 CFEDRP C=CCN1CCC([NH2+][C@H](C)c2cncc(C)c2)CC1 ZINC000184348826 381404675 /nfs/dbraw/zinc/40/46/75/381404675.db2.gz XBEVBYJUPWGOFE-CQSZACIVSA-N 2 0 259.397 2.691 20 30 CFEDRP CCC[NH+]1CCC([NH2+]CCc2cccc(C#N)c2)CC1 ZINC000343538891 381782453 /nfs/dbraw/zinc/78/24/53/381782453.db2.gz UZSVZJGCDAKZSH-UHFFFAOYSA-N 2 0 271.408 2.565 20 30 CFEDRP C[C@@H](c1ccc(C#N)cc1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292270512 381798428 /nfs/dbraw/zinc/79/84/28/381798428.db2.gz ZOVIGTMPUHHCHG-WMLDXEAASA-N 2 0 269.392 2.647 20 30 CFEDRP CCCN(CCC[NH+](C)C)Cc1ccc(C#N)cc1F ZINC000349364129 381909193 /nfs/dbraw/zinc/90/91/93/381909193.db2.gz FVCSDXQUYJXTJO-UHFFFAOYSA-N 2 0 277.387 2.861 20 30 CFEDRP C=CC1CC[NH+](C[C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420302456 382354586 /nfs/dbraw/zinc/35/45/86/382354586.db2.gz MGDSFLVJDMLSCZ-INIZCTEOSA-N 2 0 274.408 2.636 20 30 CFEDRP CN(C(=[NH2+])NCC1([NH+]2CCCCC2)CCCCC1)C1CC1 ZINC000305807462 382446303 /nfs/dbraw/zinc/44/63/03/382446303.db2.gz HCEIKHZGSSIJEZ-UHFFFAOYSA-N 2 0 292.471 2.584 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000353411520 382544771 /nfs/dbraw/zinc/54/47/71/382544771.db2.gz KJRCSCXGAYWLOD-LZLYRXPVSA-N 2 0 281.403 2.762 20 30 CFEDRP C#CCN(C)CCC[NH2+][C@@H](C)c1sc(CC)nc1C ZINC000295060304 382571250 /nfs/dbraw/zinc/57/12/50/382571250.db2.gz RDPAYSBQWKBNES-LBPRGKRZSA-N 2 0 279.453 2.620 20 30 CFEDRP COc1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)ccc1C#N ZINC000395671045 382630823 /nfs/dbraw/zinc/63/08/23/382630823.db2.gz ZVWQYMPVQWXBBW-UHFFFAOYSA-N 2 0 289.423 2.777 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]CC2CCC(C#N)CC2)[C@@H]2CCC[C@@H]21 ZINC000367614749 382578172 /nfs/dbraw/zinc/57/81/72/382578172.db2.gz IELNFSUXVZNDRM-YOTSKQKMSA-N 2 0 275.440 2.779 20 30 CFEDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000190772159 382680315 /nfs/dbraw/zinc/68/03/15/382680315.db2.gz FQCYYGHKXMXYSI-HNNXBMFYSA-N 2 0 288.439 2.641 20 30 CFEDRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000193506850 382720595 /nfs/dbraw/zinc/72/05/95/382720595.db2.gz ZACQAOCQFOWQPL-HUUCEWRRSA-N 2 0 299.418 2.724 20 30 CFEDRP C=CC[N@@H+](CCOC)Cc1ccc(-n2ccnc2)cc1C ZINC000191083362 382690452 /nfs/dbraw/zinc/69/04/52/382690452.db2.gz YKHLOHYMLWTISB-UHFFFAOYSA-N 2 0 285.391 2.815 20 30 CFEDRP C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000337380853 382812151 /nfs/dbraw/zinc/81/21/51/382812151.db2.gz CBJZANHDDOPSER-SJORKVTESA-N 2 0 280.456 2.775 20 30 CFEDRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000227327358 382835653 /nfs/dbraw/zinc/83/56/53/382835653.db2.gz SMHKRHLTBQVPCD-UHFFFAOYSA-N 2 0 275.371 2.519 20 30 CFEDRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000227498823 382837132 /nfs/dbraw/zinc/83/71/32/382837132.db2.gz SICJXYJNYPFREF-CQSZACIVSA-N 2 0 271.408 2.941 20 30 CFEDRP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000578263646 382905736 /nfs/dbraw/zinc/90/57/36/382905736.db2.gz OQEMKDQYCKDVIP-BBRMVZONSA-N 2 0 280.375 2.842 20 30 CFEDRP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000442776632 382954031 /nfs/dbraw/zinc/95/40/31/382954031.db2.gz CCMCUADEHWNEAR-CEXWTWQISA-N 2 0 297.446 2.833 20 30 CFEDRP N#C[C@@H]1CC[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)C1 ZINC000442778319 382954590 /nfs/dbraw/zinc/95/45/90/382954590.db2.gz KGKUVBJEWAMUEU-HZPDHXFCSA-N 2 0 263.429 2.924 20 30 CFEDRP CC[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000578347389 382913417 /nfs/dbraw/zinc/91/34/17/382913417.db2.gz IIFBFGIBVOEXHF-MRXNPFEDSA-N 2 0 257.381 2.599 20 30 CFEDRP CC[NH+](CC)CCC[NH+]1CCC(CCC#N)CC1 ZINC000578984991 382971492 /nfs/dbraw/zinc/97/14/92/382971492.db2.gz NHOIHXMIHDMAKR-UHFFFAOYSA-N 2 0 251.418 2.734 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(C#N)cc1F ZINC000423383674 383076558 /nfs/dbraw/zinc/07/65/58/383076558.db2.gz KNZAWZPDGYDINH-CYZMBNFOSA-N 2 0 261.344 2.618 20 30 CFEDRP C=CCOCC[NH+]1CCC(C[N@@H+](C)CCCC)CC1 ZINC000338919017 383086727 /nfs/dbraw/zinc/08/67/27/383086727.db2.gz VOKUGHBNXZMBEI-UHFFFAOYSA-N 2 0 268.445 2.633 20 30 CFEDRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(C#N)c1 ZINC000423421921 383090576 /nfs/dbraw/zinc/09/05/76/383090576.db2.gz BFPMSAJFEWJJGB-AFAVFJNCSA-N 2 0 269.392 2.597 20 30 CFEDRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(C#N)c(F)c1 ZINC000423472201 383109354 /nfs/dbraw/zinc/10/93/54/383109354.db2.gz MYKOUFGWCNCTLU-SLEUVZQESA-N 2 0 275.371 2.865 20 30 CFEDRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(C#N)cc1 ZINC000423480342 383112743 /nfs/dbraw/zinc/11/27/43/383112743.db2.gz VTHSWNDYHBAXMK-DUVNUKRYSA-N 2 0 257.381 2.726 20 30 CFEDRP C=CCC[C@H](O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247680108 383190611 /nfs/dbraw/zinc/19/06/11/383190611.db2.gz ZPALJJFKTKLWEI-KURKYZTESA-N 2 0 294.483 2.900 20 30 CFEDRP C[N@@H+]1CCC[C@]2(CC[NH+](CCCC(C)(C)C#N)C2)C1 ZINC000339433367 383196222 /nfs/dbraw/zinc/19/62/22/383196222.db2.gz PBBDFDHFCJDCTA-INIZCTEOSA-N 2 0 263.429 2.734 20 30 CFEDRP N#CCC1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000516562054 383165347 /nfs/dbraw/zinc/16/53/47/383165347.db2.gz KOFAFMLXMWGRPX-MAUKXSAKSA-N 2 0 297.402 2.526 20 30 CFEDRP C=CCCC(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000635024243 383474773 /nfs/dbraw/zinc/47/47/73/383474773.db2.gz UYEZIKFOUSFJKB-HRCADAONSA-N 2 0 280.456 2.726 20 30 CFEDRP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1C#N ZINC000488172273 383502742 /nfs/dbraw/zinc/50/27/42/383502742.db2.gz RESLEVMELRFWCZ-ROUUACIJSA-N 2 0 283.419 2.783 20 30 CFEDRP Cc1cc(CN(C)C[C@@H]2CCC[N@H+](C)C2)ccc1C#N ZINC000488449246 383542460 /nfs/dbraw/zinc/54/24/60/383542460.db2.gz OYMKSVVTINEQEL-MRXNPFEDSA-N 2 0 271.408 2.640 20 30 CFEDRP C=CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000570695265 383626840 /nfs/dbraw/zinc/62/68/40/383626840.db2.gz RAWRWMHCYCPTAO-UKRRQHHQSA-N 2 0 260.381 2.563 20 30 CFEDRP CC(C)[C@H](C)[NH+](C)CC#CC[N@@H+](C)[C@@H](C)C(C)C ZINC000530471344 383770457 /nfs/dbraw/zinc/77/04/57/383770457.db2.gz IYUMKJXYDWDXSW-HOTGVXAUSA-N 2 0 252.446 2.942 20 30 CFEDRP COc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1C#N ZINC000278108148 384477489 /nfs/dbraw/zinc/47/74/89/384477489.db2.gz AZDQOYLRAAAMCQ-UHFFFAOYSA-N 2 0 299.418 2.531 20 30 CFEDRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OCC#N)cc3)CC[C@@H]21 ZINC000268997961 384708143 /nfs/dbraw/zinc/70/81/43/384708143.db2.gz OCXVAMIBBUERDI-AEFFLSMTSA-N 2 0 299.418 2.505 20 30 CFEDRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000271938647 385405820 /nfs/dbraw/zinc/40/58/20/385405820.db2.gz ODUOAMWDGKHEMT-OLZOCXBDSA-N 2 0 275.371 2.690 20 30 CFEDRP C=CCCCCNc1ncnc2c1cnn2-c1ccncc1 ZINC000274408963 385790141 /nfs/dbraw/zinc/79/01/41/385790141.db2.gz GICXQCLALQZXDW-UHFFFAOYSA-N 2 0 294.362 2.979 20 30 CFEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000348208766 393949477 /nfs/dbraw/zinc/94/94/77/393949477.db2.gz ADLDZFDOAPKVHV-MCIONIFRSA-N 2 0 251.418 2.635 20 30 CFEDRP C[N@H+]1CC=C(CNC(=[NH2+])Nc2cccc3c2CCCC3)CC1 ZINC000263153020 393961661 /nfs/dbraw/zinc/96/16/61/393961661.db2.gz MHJBNMTWHKEZLS-UHFFFAOYSA-N 2 0 298.434 2.554 20 30 CFEDRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353254542 394026944 /nfs/dbraw/zinc/02/69/44/394026944.db2.gz MABSXPOGUFSCOK-PJSAGSTRSA-N 2 0 281.403 2.618 20 30 CFEDRP CCC[NH+]1CCC(C[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421330991 394189318 /nfs/dbraw/zinc/18/93/18/394189318.db2.gz YYHOBMUUZJMBQT-UHFFFAOYSA-N 2 0 289.398 2.909 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(C#N)cc1F ZINC000423555013 394297282 /nfs/dbraw/zinc/29/72/82/394297282.db2.gz XPTBGDNCUZKDJK-SPWCGHHHSA-N 2 0 287.382 2.736 20 30 CFEDRP CC#CCC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000155972219 394326793 /nfs/dbraw/zinc/32/67/93/394326793.db2.gz APLRBAQTZOZBCX-IRXDYDNUSA-N 2 0 292.467 2.611 20 30 CFEDRP C=CCCCC[C@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648450308 395148545 /nfs/dbraw/zinc/14/85/45/395148545.db2.gz AFUKVGWTSLIGSU-DLBZAZTESA-N 2 0 293.499 2.879 20 30 CFEDRP C=CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc1 ZINC000647498120 395361790 /nfs/dbraw/zinc/36/17/90/395361790.db2.gz ATVNINJDWYPDFX-NVXWUHKLSA-N 2 0 274.408 2.811 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647796905 395432948 /nfs/dbraw/zinc/43/29/48/395432948.db2.gz QUUOXGMLUBAZEI-YESZJQIVSA-N 2 0 286.419 2.729 20 30 CFEDRP N#CCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310007031 413084655 /nfs/dbraw/zinc/08/46/55/413084655.db2.gz IFEVURUECJGWOL-ROUUACIJSA-N 2 0 283.419 2.744 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]CCc2cccc(C#N)c2)[C@@H]2CCC[C@H]21 ZINC000375841321 157294787 /nfs/dbraw/zinc/29/47/87/157294787.db2.gz RPZBJVOCUZISLY-OKZBNKHCSA-N 2 0 283.419 2.563 20 30 CFEDRP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000651733326 413600187 /nfs/dbraw/zinc/60/01/87/413600187.db2.gz DOUXGISBXUIADH-UBDQQSCGSA-N 2 0 292.467 2.699 20 30 CFEDRP C=CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCCOC)CC2)C1 ZINC000651695684 413575983 /nfs/dbraw/zinc/57/59/83/413575983.db2.gz ULCBLISACXPUKI-RDJZCZTQSA-N 2 0 280.456 2.822 20 30 CFEDRP C=CCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccco1 ZINC000285520269 196313155 /nfs/dbraw/zinc/31/31/55/196313155.db2.gz BCQVYVYGCGFQPS-CVEARBPZSA-N 2 0 291.439 2.512 20 30 CFEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000657831785 413983503 /nfs/dbraw/zinc/98/35/03/413983503.db2.gz BLYKUKJNHZKWRE-FUHWJXTLSA-N 2 0 293.499 2.737 20 30 CFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000657881587 414023241 /nfs/dbraw/zinc/02/32/41/414023241.db2.gz UBFIISJLQZFGGS-SQNIBIBYSA-N 2 0 294.483 2.948 20 30 CFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000657898975 414040407 /nfs/dbraw/zinc/04/04/07/414040407.db2.gz SFRHTWPKXCKVSF-AEFFLSMTSA-N 2 0 293.499 2.737 20 30 CFEDRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000037229619 173049997 /nfs/dbraw/zinc/04/99/97/173049997.db2.gz RNDZHOGTVMRWPL-CQSZACIVSA-N 2 0 257.381 2.695 20 30 CFEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCN1CCCO ZINC000658026403 414112755 /nfs/dbraw/zinc/11/27/55/414112755.db2.gz UEXXOTSODBCKED-IXDOHACOSA-N 2 0 280.456 2.558 20 30 CFEDRP C=CCC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658140015 414232629 /nfs/dbraw/zinc/23/26/29/414232629.db2.gz RWIQZIYQRQILKK-MAUKXSAKSA-N 2 0 288.435 2.698 20 30 CFEDRP C=CC[N@@H+](C[C@H](O)CN(C)Cc1ccccc1)C(C)(C)C ZINC000661756941 414195285 /nfs/dbraw/zinc/19/52/85/414195285.db2.gz YHWXFQMAYNCNKV-QGZVFWFLSA-N 2 0 290.451 2.766 20 30 CFEDRP C[C@@H]1CCC[C@H](C)N1CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000361460222 261280651 /nfs/dbraw/zinc/28/06/51/261280651.db2.gz SXHUQJPFGUPRGD-XUWVNRHRSA-N 2 0 263.429 2.921 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000106868537 261373899 /nfs/dbraw/zinc/37/38/99/261373899.db2.gz LQWYRJABVXNDBF-IAGOWNOFSA-N 2 0 286.419 2.968 20 30 CFEDRP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000264088000 262867937 /nfs/dbraw/zinc/86/79/37/262867937.db2.gz KDBVBDWBMXAVFQ-AWEZNQCLSA-N 2 0 274.412 2.534 20 30 CFEDRP Cc1ccc(NC(=[NH2+])NCCC[NH+]2CCCCC2)cc1C ZINC000264152054 262880819 /nfs/dbraw/zinc/88/08/19/262880819.db2.gz ZMSOLGDKFPRBKL-UHFFFAOYSA-N 2 0 288.439 2.906 20 30 CFEDRP C=CCOc1ccc(CN(C)C2(C[NH3+])CCC2)cc1 ZINC000414796908 263049799 /nfs/dbraw/zinc/04/97/99/263049799.db2.gz XZKVTBHMWMUVHN-UHFFFAOYSA-N 2 0 260.381 2.565 20 30 CFEDRP CC(C)(C#N)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280265016 263059948 /nfs/dbraw/zinc/05/99/48/263059948.db2.gz CPHNNMKYRPTYJS-HDICACEKSA-N 2 0 297.446 2.990 20 30 CFEDRP C=CCOc1ccc(C[NH2+]C[C@H](C)C[NH3+])cc1Cl ZINC000414887159 263100186 /nfs/dbraw/zinc/10/01/86/263100186.db2.gz YXNKZQDQZKJCOG-LLVKDONJSA-N 2 0 268.788 2.589 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414932154 263137865 /nfs/dbraw/zinc/13/78/65/263137865.db2.gz VMEHPICCNRKJGY-HUUCEWRRSA-N 2 0 260.381 2.611 20 30 CFEDRP C=CCOc1ccccc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414982070 263180493 /nfs/dbraw/zinc/18/04/93/263180493.db2.gz YHDYJGCEXGYOCU-INIZCTEOSA-N 2 0 274.408 2.873 20 30 CFEDRP C=CCOc1ccccc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415002808 263203516 /nfs/dbraw/zinc/20/35/16/263203516.db2.gz DXHBPBZDLIPNDJ-DLBZAZTESA-N 2 0 286.419 2.729 20 30 CFEDRP N#CC1CCC(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000298024727 263214118 /nfs/dbraw/zinc/21/41/18/263214118.db2.gz FBHSMFSKLROGLR-UHFFFAOYSA-N 2 0 298.434 2.970 20 30 CFEDRP C#Cc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000290609470 275387290 /nfs/dbraw/zinc/38/72/90/275387290.db2.gz WJIZBIHEUUDPPR-ZWKOTPCHSA-N 2 0 268.404 2.584 20 30 CFEDRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C#N)cc1 ZINC000127865376 278282784 /nfs/dbraw/zinc/28/27/84/278282784.db2.gz MIXXAZJEXKAFNX-RRQGHBQHSA-N 2 0 269.392 2.836 20 30 CFEDRP C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1ccc(OCC#N)cc1 ZINC000271531769 328196819 /nfs/dbraw/zinc/19/68/19/328196819.db2.gz WXOQCGYSXPJHBS-GLJUWKHASA-N 2 0 299.418 2.722 20 30 CFEDRP C#CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000377647169 329022772 /nfs/dbraw/zinc/02/27/72/329022772.db2.gz LVXQSSLLKTUUND-ROUUACIJSA-N 2 0 298.430 2.805 20 30 CFEDRP C[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)N1CCC(C)CC1 ZINC000185803131 329329361 /nfs/dbraw/zinc/32/93/61/329329361.db2.gz CRZQSPRUOZFWIP-OWCLPIDISA-N 2 0 263.429 2.779 20 30 CFEDRP C=C(C)C[NH+]1CCC(N[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422982080 330162414 /nfs/dbraw/zinc/16/24/14/330162414.db2.gz VKZXIKKYKWMDNS-ROUUACIJSA-N 2 0 285.435 2.761 20 30 CFEDRP N#CCCCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422971071 330164698 /nfs/dbraw/zinc/16/46/98/330164698.db2.gz HQJFKTKXEUKXLD-NVXWUHKLSA-N 2 0 285.391 2.526 20 30 CFEDRP N#CCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000423093843 330169468 /nfs/dbraw/zinc/16/94/68/330169468.db2.gz IPMWSDPVIRGDPY-RRFJBIMHSA-N 2 0 261.413 2.581 20 30 CFEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423102521 330170299 /nfs/dbraw/zinc/17/02/99/330170299.db2.gz WYMXDTRYDIZUMI-HZMVEIRTSA-N 2 0 280.456 2.868 20 30 CFEDRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000423157620 330173472 /nfs/dbraw/zinc/17/34/72/330173472.db2.gz MTNLAAMJNIAPLU-QXSJWSMHSA-N 2 0 263.429 2.969 20 30 CFEDRP N#CC1(c2ccccc2)CCC([NH2+]CCCC[NH3+])CC1 ZINC000423324049 330190797 /nfs/dbraw/zinc/19/07/97/330190797.db2.gz KAXFCKJJWCCKGP-UHFFFAOYSA-N 2 0 271.408 2.719 20 30 CFEDRP CC1(C#N)CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000449086570 330898175 /nfs/dbraw/zinc/89/81/75/330898175.db2.gz CPSUVYYEWMNHLL-UHFFFAOYSA-N 2 0 275.440 2.923 20 30 CFEDRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000521227313 333115601 /nfs/dbraw/zinc/11/56/01/333115601.db2.gz CYQYEQOCGFPECY-HOTGVXAUSA-N 2 0 276.428 2.532 20 30 CFEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000521227312 333115746 /nfs/dbraw/zinc/11/57/46/333115746.db2.gz CYQYEQOCGFPECY-CVEARBPZSA-N 2 0 276.428 2.532 20 30 CFEDRP CC1(C)CC([NH2+][C@H]2CCC[C@@H](C#N)C2)CC(C)(C)[NH2+]1 ZINC000192613481 333236785 /nfs/dbraw/zinc/23/67/85/333236785.db2.gz WFEFFEOHUSXPLI-OLZOCXBDSA-N 2 0 263.429 2.968 20 30 CFEDRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000576576493 335220853 /nfs/dbraw/zinc/22/08/53/335220853.db2.gz FBTROFZPSMFVAD-KRWDZBQOSA-N 2 0 290.455 2.778 20 30 CFEDRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000581410195 336071161 /nfs/dbraw/zinc/07/11/61/336071161.db2.gz RYVNBJKXKMVUFM-HOCLYGCPSA-N 2 0 295.390 2.748 20 30 CFEDRP COc1cc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)ccc1C#N ZINC000414818138 533888131 /nfs/dbraw/zinc/88/81/31/533888131.db2.gz UUXPSGKYCYPJHU-ZDUSSCGKSA-N 2 0 295.386 2.876 20 30 CFEDRP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)ccc1C#N ZINC000423120029 533896109 /nfs/dbraw/zinc/89/61/09/533896109.db2.gz FQSCUFYHXOWWPE-GVDBMIGSSA-N 2 0 299.418 2.577 20 30 CFEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000335020119 526691196 /nfs/dbraw/zinc/69/11/96/526691196.db2.gz ZAPRPLGGTNPAHU-QAPCUYQASA-N 2 0 283.419 2.915 20 30 CFEDRP C=CCC[C@@H](C)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353622696 527423755 /nfs/dbraw/zinc/42/37/55/527423755.db2.gz MUFJODZHPKBILJ-CYBMUJFWSA-N 2 0 256.459 2.758 20 30 CFEDRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCCC#N ZINC000348309305 528182191 /nfs/dbraw/zinc/18/21/91/528182191.db2.gz FQWMZBKGWBGPJD-HUUCEWRRSA-N 2 0 251.418 2.780 20 30 CFEDRP CC[N@H+](Cc1ccc(C#N)c(OC)c1)[C@H]1CCC[NH2+]CC1 ZINC000414708546 528770548 /nfs/dbraw/zinc/77/05/48/528770548.db2.gz DADOOJLUQQYNLX-INIZCTEOSA-N 2 0 287.407 2.531 20 30 CFEDRP C(#CC[N@@H+]1CCC[C@H]1C1CC1)C[NH+]1CCC[C@H]1C1CC1 ZINC000671240708 545559021 /nfs/dbraw/zinc/55/90/21/545559021.db2.gz LZZAXMDYQPDPQT-ROUUACIJSA-N 2 0 272.436 2.739 20 30 CFEDRP CC(C)[N@H+](C)CCCNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000728711699 574105632 /nfs/dbraw/zinc/10/56/32/574105632.db2.gz OCYOCNHNXVCOIF-HNNXBMFYSA-N 2 0 289.423 2.797 20 30 CFEDRP C=C(CC[NH+](C)C)C(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000900714672 620704414 /nfs/dbraw/zinc/70/44/14/620704414.db2.gz XTKDQBCGLDSFEQ-UHFFFAOYSA-N 2 0 289.423 2.503 20 30 CFEDRP C=CCC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926483597 618154017 /nfs/dbraw/zinc/15/40/17/618154017.db2.gz TYJHHJZBMVLHKU-MQVJKMGUSA-N 2 0 280.456 2.820 20 30 CFEDRP N#Cc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925604875 618292413 /nfs/dbraw/zinc/29/24/13/618292413.db2.gz AYRZKKVAAYSTOE-ROUUACIJSA-N 2 0 283.419 2.816 20 30 CFEDRP C=CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccncc1 ZINC000892971672 618787222 /nfs/dbraw/zinc/78/72/22/618787222.db2.gz BVCRNJKZJRUENI-MRXNPFEDSA-N 2 0 259.397 2.630 20 30 CFEDRP CC[NH+]1CCC(CC[NH2+]CC#Cc2ccccc2)CC1 ZINC000893069414 618819839 /nfs/dbraw/zinc/81/98/39/618819839.db2.gz SNACWPHULHOGIR-UHFFFAOYSA-N 2 0 270.420 2.750 20 30 CFEDRP C#CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000893239993 618900316 /nfs/dbraw/zinc/90/03/16/618900316.db2.gz WNWAYWDGFLMUDB-FBVQUNGASA-N 2 0 268.404 2.966 20 30 CFEDRP CCc1ccc(NC(=[NH2+])NC[C@H](CC(C)C)[NH+](C)C)cc1 ZINC000104160395 618938285 /nfs/dbraw/zinc/93/82/85/618938285.db2.gz QEYDJORDWWLIJF-INIZCTEOSA-N 2 0 290.455 2.952 20 30 CFEDRP CSc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1C#N ZINC000925771632 619085225 /nfs/dbraw/zinc/08/52/25/619085225.db2.gz CNSBNSFVVNFTQK-WFASDCNBSA-N 2 0 289.448 2.758 20 30 CFEDRP CSc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1C#N ZINC000925774828 619093317 /nfs/dbraw/zinc/09/33/17/619093317.db2.gz XQJCWNMHZCCGOH-KBPBESRZSA-N 2 0 275.421 2.640 20 30 CFEDRP C=CCC[C@H](CCC)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925783419 619107554 /nfs/dbraw/zinc/10/75/54/619107554.db2.gz NXPYNKLDIUINCZ-STQMWFEESA-N 2 0 260.372 2.956 20 30 CFEDRP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)C1 ZINC000925885839 619204082 /nfs/dbraw/zinc/20/40/82/619204082.db2.gz AOAGTDKEQPUMIG-DDBAPUKQSA-N 2 0 283.419 2.717 20 30 CFEDRP CC(C)CC[NH+]1CCC([NH2+]CCCCC#N)CC1 ZINC000924942835 619295340 /nfs/dbraw/zinc/29/53/40/619295340.db2.gz QEQWNMNOKLEMFN-UHFFFAOYSA-N 2 0 251.418 2.780 20 30 CFEDRP C=CCN1CCC([NH2+]C2CC[NH+](CCC(C)C)CC2)CC1 ZINC000924984235 619317112 /nfs/dbraw/zinc/31/71/12/619317112.db2.gz PWOHZMWBYPFQIX-UHFFFAOYSA-N 2 0 293.499 2.737 20 30 CFEDRP C#CC[NH+]1CCC(Nc2cc[nH+]c3cc(F)ccc23)CC1 ZINC000895809519 619609794 /nfs/dbraw/zinc/60/97/94/619609794.db2.gz YGZJXFDRIYTAOM-UHFFFAOYSA-N 2 0 283.350 2.883 20 30 CFEDRP C#CC[NH+]1CCC(Nc2cc[nH+]c3cc(OC)ccc23)CC1 ZINC000895808379 619612383 /nfs/dbraw/zinc/61/23/83/619612383.db2.gz GYNBLOJQWDBUCG-UHFFFAOYSA-N 2 0 295.386 2.753 20 30 CFEDRP C[NH+]1CCC(C[NH2+]C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000896633446 619777081 /nfs/dbraw/zinc/77/70/81/619777081.db2.gz QQLZNVZFJUECKI-UHFFFAOYSA-N 2 0 285.435 2.811 20 30 CFEDRP CCCCCCC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182965053 625407981 /nfs/dbraw/zinc/40/79/81/625407981.db2.gz RCDLUMOIQTYVMX-UHFFFAOYSA-N 2 0 269.477 2.526 20 30 CFEDRP C=CCCC[N@@H+](CC)Cc1ncc(CN(C)C)s1 ZINC000898244367 620356257 /nfs/dbraw/zinc/35/62/57/620356257.db2.gz IDVIHXQJNMJAEI-UHFFFAOYSA-N 2 0 267.442 2.993 20 30 CFEDRP C=C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000322666236 620389310 /nfs/dbraw/zinc/38/93/10/620389310.db2.gz CNZCJRPJAPXDGK-ALOPSCKCSA-N 2 0 256.393 2.915 20 30 CFEDRP CC[C@@H]([NH2+]CCC[N@H+](C)CCOC)c1cccc(C#N)c1 ZINC000902745497 621163820 /nfs/dbraw/zinc/16/38/20/621163820.db2.gz PCUVWNCZANIVAO-QGZVFWFLSA-N 2 0 289.423 2.567 20 30 CFEDRP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000902797445 621179982 /nfs/dbraw/zinc/17/99/82/621179982.db2.gz WDIUZJLVBQPHQU-RDJZCZTQSA-N 2 0 271.408 2.941 20 30 CFEDRP Cc1nccn1CCCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902817930 621181026 /nfs/dbraw/zinc/18/10/26/621181026.db2.gz GNEWXHJPWBIDCG-ZDUSSCGKSA-N 2 0 283.379 2.589 20 30 CFEDRP CC(C)(CC#N)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903183460 621277998 /nfs/dbraw/zinc/27/79/98/621277998.db2.gz OTIZIQOYQWSHNX-LQDVMPOASA-N 2 0 261.413 2.674 20 30 CFEDRP C[C@H]([NH3+])C1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000903716459 621424505 /nfs/dbraw/zinc/42/45/05/621424505.db2.gz NTVAWUSKTQETLG-AWEZNQCLSA-N 2 0 263.429 2.910 20 30 CFEDRP N#CC1(CCCCN2CCC3(CC[NH2+]3)CC2)CCC1 ZINC000903760688 621436268 /nfs/dbraw/zinc/43/62/68/621436268.db2.gz JQSQPMRXKIZKMM-UHFFFAOYSA-N 2 0 261.413 2.678 20 30 CFEDRP C[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)C[C@H]1CC[NH3+] ZINC000903784425 621441295 /nfs/dbraw/zinc/44/12/95/621441295.db2.gz ONBMTPMBDVXJRW-HUUCEWRRSA-N 2 0 263.429 2.767 20 30 CFEDRP C[C@@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1cccc(C#N)c1 ZINC000903950389 621487184 /nfs/dbraw/zinc/48/71/84/621487184.db2.gz MOUAOMDTUSPUEO-UMVBOHGHSA-N 2 0 257.381 2.597 20 30 CFEDRP C[C@@H]1C[C@H](C[NH2+]C(C)(C)Cc2ccc(C#N)cc2)CC[NH2+]1 ZINC000903987556 621499674 /nfs/dbraw/zinc/49/96/74/621499674.db2.gz GVIGWCOADZRXOH-RHSMWYFYSA-N 2 0 285.435 2.857 20 30 CFEDRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000905533194 621785732 /nfs/dbraw/zinc/78/57/32/621785732.db2.gz DJEVKFGPYUGWSA-KLAILNCOSA-N 2 0 288.439 2.817 20 30 CFEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000911754200 622547012 /nfs/dbraw/zinc/54/70/12/622547012.db2.gz RYRWXNBWEYYZRH-GOEBONIOSA-N 2 0 297.487 2.650 20 30 CFEDRP CCCCCCC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180931432 625050093 /nfs/dbraw/zinc/05/00/93/625050093.db2.gz AHRLSZDAWGAAMZ-UHFFFAOYSA-N 2 0 283.504 2.915 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000922164287 626227184 /nfs/dbraw/zinc/22/71/84/626227184.db2.gz IPEAWVTYZBQHEI-ALOPSCKCSA-N 2 0 283.419 2.890 20 30 CFEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000923424629 626471767 /nfs/dbraw/zinc/47/17/67/626471767.db2.gz HKLFKEJEZYPWKK-BPQIPLTHSA-N 2 0 294.483 2.933 20 30 CFEDRP C#CCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000766894944 627225345 /nfs/dbraw/zinc/22/53/45/627225345.db2.gz HNXLINPLRGYUIW-KRWDZBQOSA-N 2 0 262.441 2.988 20 30 CFEDRP C#CCCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000766905352 627226069 /nfs/dbraw/zinc/22/60/69/627226069.db2.gz GZIOLTBPRCERNO-IAGOWNOFSA-N 2 0 262.441 2.986 20 30 CFEDRP C=CCN1CCC([NH2+][C@H](C)c2c(C)onc2CC)CC1 ZINC000769871278 627482740 /nfs/dbraw/zinc/48/27/40/627482740.db2.gz FXNMKHUPXVQQLX-GFCCVEGCSA-N 2 0 277.412 2.846 20 30 CFEDRP CC[NH+](CC)CCCC1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801939662 630492296 /nfs/dbraw/zinc/49/22/96/630492296.db2.gz VDTIFRGJMNUUEK-MRXNPFEDSA-N 2 0 295.471 2.749 20 30 CFEDRP C#CC[N@H+](C)CCCNc1cc[nH+]c2cc(F)ccc12 ZINC000814928230 632169624 /nfs/dbraw/zinc/16/96/24/632169624.db2.gz BCZGGWIIFGROQG-UHFFFAOYSA-N 2 0 271.339 2.741 20 30 CFEDRP CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000817917000 632733462 /nfs/dbraw/zinc/73/34/62/632733462.db2.gz CKPYLUNIHOIHLG-HOCLYGCPSA-N 2 0 289.423 2.975 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)CC2 ZINC000817948270 632749155 /nfs/dbraw/zinc/74/91/55/632749155.db2.gz IAFBGCUALIIGQR-LJQANCHMSA-N 2 0 291.398 2.837 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000817975025 632772976 /nfs/dbraw/zinc/77/29/76/632772976.db2.gz HSVZEBRTQFYGQS-LSDHHAIUSA-N 2 0 274.408 2.867 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000817984974 632781284 /nfs/dbraw/zinc/78/12/84/632781284.db2.gz DJKGTWADNBCFJC-HNNXBMFYSA-N 2 0 284.403 2.659 20 30 CFEDRP C#C[C@H]1CCC[NH+](CCCCC[N@H+]2CCC[C@H](C#C)C2)C1 ZINC000847020383 632885918 /nfs/dbraw/zinc/88/59/18/632885918.db2.gz BEOBOPGWXKXIID-OALUTQOASA-N 2 0 286.463 2.847 20 30 CFEDRP C#CC[C@H](COC)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000862548898 637421947 /nfs/dbraw/zinc/42/19/47/637421947.db2.gz PXTWSIGQMYWWKV-KBAYOESNSA-N 2 0 292.467 2.657 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@H](C)C2CC[NH2+]CC2)cc1 ZINC000873221784 642074776 /nfs/dbraw/zinc/07/47/76/642074776.db2.gz PQCZCKXIOZEZJT-CQSZACIVSA-N 2 0 274.408 2.729 20 30 CFEDRP C=CCC[C@@H](CC)[NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873246887 642094634 /nfs/dbraw/zinc/09/46/34/642094634.db2.gz CWVXNZDTZHLVOV-OAHLLOKOSA-N 2 0 299.422 2.560 20 30 CFEDRP N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000873255094 642100687 /nfs/dbraw/zinc/10/06/87/642100687.db2.gz CVCQUEQIRHGVKL-SVOYEFRLSA-N 2 0 283.419 2.717 20 30 CFEDRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000873271697 642112932 /nfs/dbraw/zinc/11/29/32/642112932.db2.gz JRKSTBCYJGZCEJ-NWDGAFQWSA-N 2 0 275.371 2.736 20 30 CFEDRP C=CC(C)(C)CCC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000873281366 642117118 /nfs/dbraw/zinc/11/71/18/642117118.db2.gz ZYBLNWQWEODOAZ-BZUAXINKSA-N 2 0 280.456 2.726 20 30 CFEDRP C=CCC[C@@H](CCC)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290757 642122815 /nfs/dbraw/zinc/12/28/15/642122815.db2.gz HGZXBAOFLKEUOI-HZPDHXFCSA-N 2 0 280.456 2.870 20 30 CFEDRP C#CCCCCCC[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000877182410 643192554 /nfs/dbraw/zinc/19/25/54/643192554.db2.gz MVFNTIVFTFXBCR-UHFFFAOYSA-N 2 0 250.430 2.892 20 30 CFEDRP C[C@@H](CCC#N)C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000877711293 643477447 /nfs/dbraw/zinc/47/74/47/643477447.db2.gz CHKSBUSWGQGWCO-NFOMZHRRSA-N 2 0 251.418 2.779 20 30 CFEDRP C#CCCCCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000878157358 643766050 /nfs/dbraw/zinc/76/60/50/643766050.db2.gz ZNRAISMXCMOYPH-QGZVFWFLSA-N 2 0 262.441 2.844 20 30 CFEDRP C#CCCCCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000878257165 643811569 /nfs/dbraw/zinc/81/15/69/643811569.db2.gz FOOMLMVPZPCKNI-JKSUJKDBSA-N 2 0 250.430 2.842 20 30 CFEDRP C#CCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000092043422 650914548 /nfs/dbraw/zinc/91/45/48/650914548.db2.gz DEIJZBHBAKYXNP-HKUYNNGSSA-N 2 0 298.430 2.615 20 30 CFEDRP C[C@@H]1C[N@H+](CCCC(C)(C)C#N)CCN1c1cc[nH+]cc1 ZINC000880261658 644618323 /nfs/dbraw/zinc/61/83/23/644618323.db2.gz KXWKJEVRGHAWPK-OAHLLOKOSA-N 2 0 286.423 2.922 20 30 CFEDRP CCCCCCNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000303780733 651001988 /nfs/dbraw/zinc/00/19/88/651001988.db2.gz LOILQLNXSQFKFN-OAHLLOKOSA-N 2 0 282.476 2.591 20 30 CFEDRP C=C(C)CNC(=[NH2+])NCc1cccc(C[NH+](CC)CC)c1 ZINC000303873229 651004852 /nfs/dbraw/zinc/00/48/52/651004852.db2.gz CJCDIAXXDYJDAS-UHFFFAOYSA-N 2 0 288.439 2.509 20 30 CFEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@@H](C)C[NH+]1CCCC1 ZINC000303883200 651006533 /nfs/dbraw/zinc/00/65/33/651006533.db2.gz MADYUFOBCKHSTI-HZPDHXFCSA-N 2 0 296.503 2.837 20 30 CFEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@H](C)C[NH+]1CCCC1 ZINC000303883203 651006617 /nfs/dbraw/zinc/00/66/17/651006617.db2.gz MADYUFOBCKHSTI-JKSUJKDBSA-N 2 0 296.503 2.837 20 30 CFEDRP CCCCCCCCNC(=[NH2+])NC[C@H]1CC[N@H+](CC)C1 ZINC000303897496 651007412 /nfs/dbraw/zinc/00/74/12/651007412.db2.gz QOFMTOFFICANOF-OAHLLOKOSA-N 2 0 282.476 2.593 20 30 CFEDRP CC[C@H](C)NC(=[NH2+])NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000304005089 651012422 /nfs/dbraw/zinc/01/24/22/651012422.db2.gz SKMWWNOAIJMUMR-KBPBESRZSA-N 2 0 290.455 2.819 20 30 CFEDRP C=CCC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)[C@H]1CCCO1 ZINC000883169552 645636193 /nfs/dbraw/zinc/63/61/93/645636193.db2.gz YRPUCQFMHQHEPO-JKSUJKDBSA-N 2 0 268.445 2.820 20 30 CFEDRP C=CCC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CCCO1 ZINC000883174452 645640397 /nfs/dbraw/zinc/64/03/97/645640397.db2.gz KXKDSMAHMKCNCM-MSOLQXFVSA-N 2 0 292.467 2.964 20 30 CFEDRP C=CCC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@@H]1CCCO1 ZINC000883219026 645672010 /nfs/dbraw/zinc/67/20/10/645672010.db2.gz LHTIGGXSBFJGQT-ROUUACIJSA-N 2 0 292.467 2.964 20 30 CFEDRP C=CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccncc1 ZINC000925498116 648184443 /nfs/dbraw/zinc/18/44/43/648184443.db2.gz MJXRBENDIRIFLF-RRFJBIMHSA-N 2 0 257.381 2.558 20 30 CFEDRP C=C(C)CN1CCC([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925608701 648237173 /nfs/dbraw/zinc/23/71/73/648237173.db2.gz HZBGMEJYBPMDNS-GOEBONIOSA-N 2 0 279.472 2.523 20 30 CFEDRP CC[C@H](C#N)Oc1cccc(CN[C@H]2CC[NH2+]C23CCC3)c1 ZINC000925620727 648244206 /nfs/dbraw/zinc/24/42/06/648244206.db2.gz XWHCXLVKASUQIV-WBVHZDCISA-N 2 0 299.418 2.742 20 30 CFEDRP C=CC(C)(C)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925683264 648278406 /nfs/dbraw/zinc/27/84/06/648278406.db2.gz NLISUSHJHXSELW-GJZGRUSLSA-N 2 0 250.430 2.957 20 30 CFEDRP CSc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1C#N ZINC000925771285 648314812 /nfs/dbraw/zinc/31/48/12/648314812.db2.gz APXBVMKIHCMLCS-CABCVRRESA-N 2 0 287.432 2.640 20 30 CFEDRP C#C[C@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)[C@H]1CCCO1 ZINC000926211452 648436273 /nfs/dbraw/zinc/43/62/73/648436273.db2.gz UKRZCTLBKMOYPP-FHLIZLRMSA-N 2 0 286.419 2.580 20 30 CFEDRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C#N)c1[O-] ZINC000926538874 648524027 /nfs/dbraw/zinc/52/40/27/648524027.db2.gz DULRAKRLOAPUJJ-UCMJJCQDSA-N 2 0 299.418 2.930 20 30 CFEDRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C#N)c1[O-] ZINC000926538873 648524109 /nfs/dbraw/zinc/52/41/09/648524109.db2.gz DULRAKRLOAPUJJ-BTFYYFJDSA-N 2 0 299.418 2.930 20 30 CFEDRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000926616510 648552462 /nfs/dbraw/zinc/55/24/62/648552462.db2.gz SCEZJSBWIMTTAG-GOEBONIOSA-N 2 0 263.429 2.779 20 30 CFEDRP C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926864290 648638697 /nfs/dbraw/zinc/63/86/97/648638697.db2.gz NNXRZQLIHIAZOX-YOEHRIQHSA-N 2 0 276.424 2.726 20 30 CFEDRP C[NH+](C)CC1CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929283389 649022893 /nfs/dbraw/zinc/02/28/93/649022893.db2.gz RDTXIAMWPDEDPD-UHFFFAOYSA-N 2 0 291.826 2.985 20 30 CFEDRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC2CCC(C#N)CC2)C1 ZINC000929762329 649115670 /nfs/dbraw/zinc/11/56/70/649115670.db2.gz FBWKZNLVMWLPDU-VMWRSERWSA-N 2 0 289.467 2.980 20 30 CFEDRP CC(C)[NH2+][C@H]1CCCN(CC2CCC(C#N)CC2)C1 ZINC000929969866 649157770 /nfs/dbraw/zinc/15/77/70/649157770.db2.gz PVHNCGCTPBDJFI-GPANFISMSA-N 2 0 263.429 2.779 20 30 CFEDRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCCC3(C#N)CCC3)C2)C1 ZINC000930554946 649271738 /nfs/dbraw/zinc/27/17/38/649271738.db2.gz KIDFDBLVKZPOCB-QGZVFWFLSA-N 2 0 275.440 2.878 20 30 CFEDRP CCCC[N@H+](C[C@H](O)CC#N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034098 649367891 /nfs/dbraw/zinc/36/78/91/649367891.db2.gz NKKDDWSIDQJDNK-OAHLLOKOSA-N 2 0 295.471 2.672 20 30 CFEDRP C[N@@H+]1C[C@@H]2CN(CCC3(C#N)CCCCC3)C[C@]2(C)C1 ZINC000933734844 649718834 /nfs/dbraw/zinc/71/88/34/649718834.db2.gz XJBRKGODCLUGBE-CVEARBPZSA-N 2 0 275.440 2.734 20 30 CFEDRP C#C[C@@H]1CCC[N@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001235947234 778621994 /nfs/dbraw/zinc/62/19/94/778621994.db2.gz ZCTMDGWVFYJQRZ-OAHLLOKOSA-N 2 0 293.414 2.590 20 30 CFEDRP C#CCN(C)CCC[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000328165861 775732186 /nfs/dbraw/zinc/73/21/86/775732186.db2.gz JDNJMQNXHIIVMO-HZPDHXFCSA-N 2 0 250.430 2.746 20 30 CFEDRP N#CCc1cc2ccccc2c(NC(=N)SCC[NH3+])c1 ZINC001167915870 776864390 /nfs/dbraw/zinc/86/43/90/776864390.db2.gz LOQMWTCAHHCWMA-UHFFFAOYSA-N 2 0 284.388 2.944 20 30 CFEDRP N#CCC1CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232014587 777412084 /nfs/dbraw/zinc/41/20/84/777412084.db2.gz RLEMXXYCUKNFHQ-UHFFFAOYSA-N 2 0 254.337 2.689 20 30 CFEDRP N#CC[C@H]1CCC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232014083 777412132 /nfs/dbraw/zinc/41/21/32/777412132.db2.gz JRMRWNHUSFRWMX-GFCCVEGCSA-N 2 0 254.337 2.689 20 30 CFEDRP C=C(C)[C@@H]1CC=C(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001235017832 778355862 /nfs/dbraw/zinc/35/58/62/778355862.db2.gz PVWFGEUEAHRWIR-IXDOHACOSA-N 2 0 260.425 2.973 20 30 CFEDRP C=C(C)[C@@H]1CC=C(C[NH+]2CC3(C2)CC[NH2+]CC3)CC1 ZINC001235089767 778377500 /nfs/dbraw/zinc/37/75/00/778377500.db2.gz RURJZODVWSQTCV-MRXNPFEDSA-N 2 0 260.425 2.974 20 30 CFEDRP C=CC[NH+](CC=C)Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001235840346 778575947 /nfs/dbraw/zinc/57/59/47/778575947.db2.gz LFDSEFMPISMYBL-UHFFFAOYSA-N 2 0 281.403 2.919 20 30 CFEDRP C=CCOc1ccccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315798 778775404 /nfs/dbraw/zinc/77/54/04/778775404.db2.gz NXRCOGPKKBROLP-IYBDPMFKSA-N 2 0 286.419 2.683 20 30 CFEDRP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001236321806 778779474 /nfs/dbraw/zinc/77/94/74/778779474.db2.gz WXCUMTJXWMHCQT-OKILXGFUSA-N 2 0 289.810 2.643 20 30 CFEDRP C=CCCCCCCC[N@@H+]1CC[C@]2(C1)CNCCO2 ZINC001237144532 779025775 /nfs/dbraw/zinc/02/57/75/779025775.db2.gz VMLGFGCMBIMZBB-MRXNPFEDSA-N 2 0 266.429 2.577 20 30 CFEDRP N#Cc1cc(-c2[nH+]ccc3[nH]ccc32)cc(C2C[NH2+]C2)c1 ZINC001240337549 780092328 /nfs/dbraw/zinc/09/23/28/780092328.db2.gz MLEMTPRQKJEZHH-UHFFFAOYSA-N 2 0 274.327 2.788 20 30 CFEDRP N#Cc1cc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)ccn1 ZINC001241195754 780697535 /nfs/dbraw/zinc/69/75/35/780697535.db2.gz KFYRCEOLBVJYHL-UHFFFAOYSA-N 2 0 292.386 2.543 20 30 CFEDRP Cc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1C#N ZINC000701820396 780840982 /nfs/dbraw/zinc/84/09/82/780840982.db2.gz MWRKSPVNBVBTDU-UHFFFAOYSA-N 2 0 257.381 2.568 20 30 CFEDRP N#Cc1ccc(C2([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CCC2)cc1 ZINC000594584704 349451458 /nfs/dbraw/zinc/45/14/58/349451458.db2.gz DMGAQJMWFHTYAX-JFIYKMOQSA-N 2 0 295.430 2.915 20 30 CFEDRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594921094 349508613 /nfs/dbraw/zinc/50/86/13/349508613.db2.gz BAKUWEATWXCZLA-MRXNPFEDSA-N 2 0 283.419 2.673 20 30 CFEDRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595639109 349685949 /nfs/dbraw/zinc/68/59/49/349685949.db2.gz HGGXOTQSMRJMNC-MRXNPFEDSA-N 2 0 271.408 2.867 20 30 CFEDRP CC[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423280019 529605483 /nfs/dbraw/zinc/60/54/83/529605483.db2.gz UBLCAIYEJWMPLZ-RDJZCZTQSA-N 2 0 271.408 2.989 20 30 CFEDRP C[C@@](C[NH3+])(NCc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000595893728 349762727 /nfs/dbraw/zinc/76/27/27/349762727.db2.gz YXODNJAITRSXJY-AWEZNQCLSA-N 2 0 297.324 2.794 20 30 CFEDRP N#C[C@H]1CCC[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000596649373 349967575 /nfs/dbraw/zinc/96/75/75/349967575.db2.gz ZLGZDQNJAPGCQI-DZJNRPSUSA-N 2 0 283.419 2.804 20 30 CFEDRP N#Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000596650211 349968714 /nfs/dbraw/zinc/96/87/14/349968714.db2.gz JLXHMENPJLGQOW-KURKYZTESA-N 2 0 283.419 2.611 20 30 CFEDRP C[NH+](C)CCC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000056524169 346610904 /nfs/dbraw/zinc/61/09/04/346610904.db2.gz LAFJSQTUOXZHRA-UHFFFAOYSA-N 2 0 271.408 2.722 20 30 CFEDRP CCN(CC)C(=[NH2+])NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000083052638 347448065 /nfs/dbraw/zinc/44/80/65/347448065.db2.gz VLEOTWXJBVOTPT-OAHLLOKOSA-N 2 0 290.455 2.554 20 30 CFEDRP CCN(CC)C(=[NH2+])NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000083052640 347448080 /nfs/dbraw/zinc/44/80/80/347448080.db2.gz VLEOTWXJBVOTPT-HNNXBMFYSA-N 2 0 290.455 2.554 20 30 CFEDRP C=CCC1([NH2+]C2CC[NH+](CC3CC3)CC2)CCOCC1 ZINC000668552381 539572637 /nfs/dbraw/zinc/57/26/37/539572637.db2.gz KGWHHBZHDSTVRT-UHFFFAOYSA-N 2 0 278.440 2.576 20 30 CFEDRP Cc1cc(C#N)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000165498547 348039748 /nfs/dbraw/zinc/03/97/48/348039748.db2.gz PTZQTMFJTMNWKS-QZTJIDSGSA-N 2 0 283.419 2.783 20 30 CFEDRP C=CCCC[C@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000091592199 539663610 /nfs/dbraw/zinc/66/36/10/539663610.db2.gz VAECROBESZSZSA-HNNXBMFYSA-N 2 0 259.397 2.948 20 30 CFEDRP CCCN(CC)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000589350945 348829714 /nfs/dbraw/zinc/82/97/14/348829714.db2.gz CGWOBEFAIGSEBW-KFWWJZLASA-N 2 0 251.418 2.779 20 30 CFEDRP N#Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1Cl ZINC000591573341 349031156 /nfs/dbraw/zinc/03/11/56/349031156.db2.gz NGCDSIBCAMPHOT-ZFWWWQNUSA-N 2 0 277.799 2.819 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000591579370 349032114 /nfs/dbraw/zinc/03/21/14/349032114.db2.gz RCUKRRDWYAMSFN-IRXDYDNUSA-N 2 0 281.403 2.667 20 30 CFEDRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591581792 349032470 /nfs/dbraw/zinc/03/24/70/349032470.db2.gz VDHNKKXBCMTIIZ-WBMJQRKESA-N 2 0 257.381 2.653 20 30 CFEDRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591581400 349032538 /nfs/dbraw/zinc/03/25/38/349032538.db2.gz VHKXEOORPQKXQU-JLZZUVOBSA-N 2 0 269.392 2.523 20 30 CFEDRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591581791 349032678 /nfs/dbraw/zinc/03/26/78/349032678.db2.gz VDHNKKXBCMTIIZ-MLGOLLRUSA-N 2 0 257.381 2.653 20 30 CFEDRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000414185015 233190121 /nfs/dbraw/zinc/19/01/21/233190121.db2.gz OFXHXNAXDSYZSY-HUUCEWRRSA-N 2 0 271.408 2.941 20 30 CFEDRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000593321262 349247383 /nfs/dbraw/zinc/24/73/83/349247383.db2.gz HFDOZWKDEKLTHX-LBPRGKRZSA-N 2 0 275.371 2.738 20 30 CFEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000105457200 186057535 /nfs/dbraw/zinc/05/75/35/186057535.db2.gz FXVXWHLWOATRPB-QGZVFWFLSA-N 2 0 271.408 2.768 20 30 CFEDRP Cc1ccc(CN2CCC[C@H]([NH+](C)C)CC2)cc1C#N ZINC000599384695 350428855 /nfs/dbraw/zinc/42/88/55/350428855.db2.gz CDACSKKNOQJMHB-KRWDZBQOSA-N 2 0 271.408 2.783 20 30 CFEDRP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1C#N ZINC000600710018 350599386 /nfs/dbraw/zinc/59/93/86/350599386.db2.gz MSRYAIXHVHSBGP-VBQJREDUSA-N 2 0 271.408 2.672 20 30 CFEDRP CC1(C#N)CCC([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000602020183 350833930 /nfs/dbraw/zinc/83/39/30/350833930.db2.gz KDVHTHQODOIQAC-NPCAHTBFSA-N 2 0 263.429 2.827 20 30 CFEDRP C[C@H](CCC#N)C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000602524207 350913711 /nfs/dbraw/zinc/91/37/11/350913711.db2.gz LCLLUQNLSBMXAN-OAHLLOKOSA-N 2 0 289.423 2.656 20 30 CFEDRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602584859 350935349 /nfs/dbraw/zinc/93/53/49/350935349.db2.gz BWEVNAMHRLGQBU-AWEZNQCLSA-N 2 0 274.412 2.553 20 30 CFEDRP C[C@@H](CCC#N)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000602439370 350882599 /nfs/dbraw/zinc/88/25/99/350882599.db2.gz ZRHPELHNTMVELA-HNNXBMFYSA-N 2 0 263.429 2.877 20 30 CFEDRP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](C)CCC#N)CC1 ZINC000602437599 350882768 /nfs/dbraw/zinc/88/27/68/350882768.db2.gz ZLUWQTMHFFWGDI-CQSZACIVSA-N 2 0 251.418 2.731 20 30 CFEDRP C[C@@H](CCC#N)C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000602696933 350984390 /nfs/dbraw/zinc/98/43/90/350984390.db2.gz MQVJVJHXTAMGTO-JQHSSLGASA-N 2 0 285.435 2.861 20 30 CFEDRP CC(C)[NH2+][C@@H]1CCCN(CCCC2(C#N)CCOCC2)C1 ZINC000619621278 353040993 /nfs/dbraw/zinc/04/09/93/353040993.db2.gz JCXCELTXWUHMRV-MRXNPFEDSA-N 2 0 293.455 2.549 20 30 CFEDRP Cc1cc(C#N)ccc1CN(C)CCC[NH+]1CCCC1 ZINC000619622485 353041240 /nfs/dbraw/zinc/04/12/40/353041240.db2.gz YEFKFJXJFWVLML-UHFFFAOYSA-N 2 0 271.408 2.784 20 30 CFEDRP C=CC[C@H]1CC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000628406854 354580196 /nfs/dbraw/zinc/58/01/96/354580196.db2.gz SIBUYWXKHMJXFE-HNNXBMFYSA-N 2 0 282.391 2.974 20 30 CFEDRP C=CC[C@H]1CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000629548489 354843636 /nfs/dbraw/zinc/84/36/36/354843636.db2.gz HEPLJAFFGPOHMM-AWEZNQCLSA-N 2 0 256.393 2.730 20 30 CFEDRP C=CC[C@H]1CC[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000629550112 354844618 /nfs/dbraw/zinc/84/46/18/354844618.db2.gz MIBRLHIXRORIAV-HOCLYGCPSA-N 2 0 274.408 2.636 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000271885139 191389016 /nfs/dbraw/zinc/38/90/16/191389016.db2.gz QLWFFXGCZXEXMN-HNNXBMFYSA-N 2 0 284.403 2.611 20 30 CFEDRP C(#CC[N@@H+]1CC[C@H]2CCC[C@@H]21)C[NH+]1CC[C@@H]2CCC[C@@H]21 ZINC000671243431 540590470 /nfs/dbraw/zinc/59/04/70/540590470.db2.gz GQLBHLNBZJFZBG-MHORFTMASA-N 2 0 272.436 2.739 20 30 CFEDRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000423255791 238312462 /nfs/dbraw/zinc/31/24/62/238312462.db2.gz CTJZCHSPGQURDE-STQMWFEESA-N 2 0 275.371 2.738 20 30 CFEDRP Cc1nccn1CC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425538962 239095199 /nfs/dbraw/zinc/09/51/99/239095199.db2.gz SXVGORYXAQSKEN-ZDUSSCGKSA-N 2 0 268.364 2.756 20 30 CFEDRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(C#N)cc1 ZINC000036991885 372622597 /nfs/dbraw/zinc/62/25/97/372622597.db2.gz HETPISBEMSTPKT-FCLXEUQJSA-N 2 0 269.392 2.834 20 30 CFEDRP CC(C)c1cccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+]2C)c1 ZINC000264114717 383698309 /nfs/dbraw/zinc/69/83/09/383698309.db2.gz SAZQDKXRZCIHFH-OAHLLOKOSA-N 2 0 274.412 2.631 20 30 CFEDRP CC[NH+](CC)Cc1ccccc1C[NH+]=C(N(C)C)N(C)C ZINC000104158029 375770519 /nfs/dbraw/zinc/77/05/19/375770519.db2.gz RHLGSDKRZSDPRF-UHFFFAOYSA-N 2 0 290.455 2.508 20 30 CFEDRP N#CCCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000134900219 378060262 /nfs/dbraw/zinc/06/02/62/378060262.db2.gz XIPOWVCFFXAONL-HOCLYGCPSA-N 2 0 261.413 2.629 20 30 CFEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000264327265 383726519 /nfs/dbraw/zinc/72/65/19/383726519.db2.gz ZAZVERYPGVCWDQ-ZDUSSCGKSA-N 2 0 274.412 2.513 20 30 CFEDRP CC(C)(CCC#N)C[NH2+]CCC[NH+]1CCCCC1 ZINC000135134538 378087791 /nfs/dbraw/zinc/08/77/91/378087791.db2.gz AASMNPVRSOAMOC-UHFFFAOYSA-N 2 0 251.418 2.782 20 30 CFEDRP N#CC1CC[NH+](CCCCC[NH+]2CCC(C#N)CC2)CC1 ZINC000157676351 378658196 /nfs/dbraw/zinc/65/81/96/378658196.db2.gz MMQZPVDBEUSIHT-UHFFFAOYSA-N 2 0 288.439 2.628 20 30 CFEDRP N#Cc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000278553179 194039415 /nfs/dbraw/zinc/03/94/15/194039415.db2.gz ZMOAALIQDBBIDP-UHFFFAOYSA-N 2 0 287.382 2.661 20 30 CFEDRP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(C#N)cc2)CC1 ZINC000334226323 378951297 /nfs/dbraw/zinc/95/12/97/378951297.db2.gz MWBFXHHQSOPNIM-UHFFFAOYSA-N 2 0 269.392 2.618 20 30 CFEDRP C[C@]1(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CCC[NH2+]C1 ZINC000335492865 379397731 /nfs/dbraw/zinc/39/77/31/379397731.db2.gz RXPHDTZORGHQSI-IRXDYDNUSA-N 2 0 269.392 2.525 20 30 CFEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(C#N)o1 ZINC000174272573 379856172 /nfs/dbraw/zinc/85/61/72/379856172.db2.gz SLXTUSRCXNHBFK-CQSZACIVSA-N 2 0 275.396 2.895 20 30 CFEDRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(C#N)cc1F ZINC000358561128 380926712 /nfs/dbraw/zinc/92/67/12/380926712.db2.gz FVPUUAXCHHIOQD-LBPRGKRZSA-N 2 0 273.355 2.610 20 30 CFEDRP CC(CC[NH+](C)C[C@@H](C)C#N)CC[N@H+](C)C[C@@H](C)C#N ZINC000411225820 381018965 /nfs/dbraw/zinc/01/89/65/381018965.db2.gz MEZHXXGYSZIYHG-HOTGVXAUSA-N 2 0 278.444 2.586 20 30 CFEDRP C=CCOCCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000348052752 381458305 /nfs/dbraw/zinc/45/83/05/381458305.db2.gz SQQDUASEVSTCQQ-UHFFFAOYSA-N 2 0 268.445 2.633 20 30 CFEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CC#N)[C@H](C)C1 ZINC000414166330 381565916 /nfs/dbraw/zinc/56/59/16/381565916.db2.gz NIMODUFEMVQVBQ-CVEARBPZSA-N 2 0 295.471 2.653 20 30 CFEDRP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21 ZINC000371506597 381647631 /nfs/dbraw/zinc/64/76/31/381647631.db2.gz SVJBSCGIDBHAMU-NXOAAHMSSA-N 2 0 293.455 2.548 20 30 CFEDRP C=CCC[C@@H](CC)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000360245807 381773948 /nfs/dbraw/zinc/77/39/48/381773948.db2.gz QQOAKXZXXNMEMB-OAHLLOKOSA-N 2 0 268.445 2.556 20 30 CFEDRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC000349826869 381992946 /nfs/dbraw/zinc/99/29/46/381992946.db2.gz FIDNUABOUARXCY-CVEARBPZSA-N 2 0 257.381 2.530 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000293238284 382043017 /nfs/dbraw/zinc/04/30/17/382043017.db2.gz BCSDUDHXSOGLGO-LSDHHAIUSA-N 2 0 274.408 2.547 20 30 CFEDRP C=CC1CC[NH+](C[C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420302457 382353882 /nfs/dbraw/zinc/35/38/82/382353882.db2.gz MGDSFLVJDMLSCZ-MRXNPFEDSA-N 2 0 274.408 2.636 20 30 CFEDRP C=C[C@H](C)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000358303474 382557691 /nfs/dbraw/zinc/55/76/91/382557691.db2.gz RBDZNFPNZZVITA-UONOGXRCSA-N 2 0 262.397 2.852 20 30 CFEDRP C#Cc1ccc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000367308377 382564402 /nfs/dbraw/zinc/56/44/02/382564402.db2.gz OPLVHBUSXVBLLP-KRWDZBQOSA-N 2 0 265.360 2.702 20 30 CFEDRP C#Cc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000367355842 382565373 /nfs/dbraw/zinc/56/53/73/382565373.db2.gz HCCRKFYVDDXPLW-UHFFFAOYSA-N 2 0 282.431 2.976 20 30 CFEDRP CN(CCC[NH+]1CCCCC1)Cc1ccc(C#N)cc1 ZINC000193468949 382720032 /nfs/dbraw/zinc/72/00/32/382720032.db2.gz BGULSMSBLIBTKS-UHFFFAOYSA-N 2 0 271.408 2.866 20 30 CFEDRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000193506811 382720461 /nfs/dbraw/zinc/72/04/61/382720461.db2.gz ZACQAOCQFOWQPL-GJZGRUSLSA-N 2 0 299.418 2.724 20 30 CFEDRP N#C[C@H]1CC[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)C1 ZINC000442774687 382954097 /nfs/dbraw/zinc/95/40/97/382954097.db2.gz FELJLAIGSKTUTI-RDJZCZTQSA-N 2 0 275.440 2.923 20 30 CFEDRP N#C[C@@H]1CC[C@H]([NH2+]CCCCC[NH+]2CCCCC2)C1 ZINC000442778233 382954271 /nfs/dbraw/zinc/95/42/71/382954271.db2.gz KGKUVBJEWAMUEU-CVEARBPZSA-N 2 0 263.429 2.924 20 30 CFEDRP N#Cc1ccccc1CSCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422988433 382998536 /nfs/dbraw/zinc/99/85/36/382998536.db2.gz KLJPUEDCRBADQP-GDBMZVCRSA-N 2 0 289.448 2.508 20 30 CFEDRP CCCC[C@@H](C[NH3+])N[C@@H]1CCc2ccc(C#N)cc21 ZINC000423303450 383056729 /nfs/dbraw/zinc/05/67/29/383056729.db2.gz XCZGTMHXAYXIAO-GOEBONIOSA-N 2 0 257.381 2.653 20 30 CFEDRP C#CCCC[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000246250681 383069504 /nfs/dbraw/zinc/06/95/04/383069504.db2.gz PKEUXZALOQEDKM-DOTOQJQBSA-N 2 0 256.393 2.825 20 30 CFEDRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000423448412 383099956 /nfs/dbraw/zinc/09/99/56/383099956.db2.gz VCZVYICFWRWZQT-XQAQDONZSA-N 2 0 287.382 2.736 20 30 CFEDRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(C#N)c(F)c1 ZINC000423483928 383115330 /nfs/dbraw/zinc/11/53/30/383115330.db2.gz QIVYNQOOMILZQH-SWLSCSKDSA-N 2 0 275.371 2.880 20 30 CFEDRP C[N@@H+]1CCC[C@H]2C[NH+](CC(C)(C)CCC#N)CC[C@@H]21 ZINC000247271169 383158283 /nfs/dbraw/zinc/15/82/83/383158283.db2.gz YBOOYAPTXKSVGM-GJZGRUSLSA-N 2 0 263.429 2.732 20 30 CFEDRP C=CCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000519831250 383240314 /nfs/dbraw/zinc/24/03/14/383240314.db2.gz FYHKGKQQODSFDS-UKRRQHHQSA-N 2 0 260.381 2.563 20 30 CFEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](C#N)CCC#N ZINC000568750626 383432267 /nfs/dbraw/zinc/43/22/67/383432267.db2.gz BFAPQILGEPGGQF-HZPDHXFCSA-N 2 0 276.428 2.674 20 30 CFEDRP C=CCCC(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000635024244 383474558 /nfs/dbraw/zinc/47/45/58/383474558.db2.gz UYEZIKFOUSFJKB-OWCLPIDISA-N 2 0 280.456 2.726 20 30 CFEDRP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000488445677 383541412 /nfs/dbraw/zinc/54/14/12/383541412.db2.gz JGMHWKUWHUOSAF-AWEZNQCLSA-N 2 0 271.408 2.893 20 30 CFEDRP C=CCN(Cc1ccccc1F)C[C@@]1(C)CC[NH2+]C1 ZINC000261903923 383578228 /nfs/dbraw/zinc/57/82/28/383578228.db2.gz WOISOZWJKKTSPQ-INIZCTEOSA-N 2 0 262.372 2.813 20 30 CFEDRP C#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000289066496 197226140 /nfs/dbraw/zinc/22/61/40/197226140.db2.gz ACSOUYDDTKPIOX-SJORKVTESA-N 2 0 256.393 2.630 20 30 CFEDRP C=CCCCCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639313021 385439534 /nfs/dbraw/zinc/43/95/34/385439534.db2.gz QKVKBJSXJRPOPM-UHFFFAOYSA-N 2 0 268.445 2.558 20 30 CFEDRP CC[NH+](CC)CC1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000336800618 262396650 /nfs/dbraw/zinc/39/66/50/262396650.db2.gz MXOMLZBDUNBHHF-UHFFFAOYSA-N 2 0 265.445 2.980 20 30 CFEDRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccc(C#N)c1 ZINC000423264149 533402423 /nfs/dbraw/zinc/40/24/23/533402423.db2.gz YFUYBXKXMUURMP-ZIAGYGMSSA-N 2 0 257.381 2.599 20 30 CFEDRP C[C@H]([NH2+]CCCCC#N)c1cccc(OCC[NH+](C)C)c1 ZINC000178643510 393446495 /nfs/dbraw/zinc/44/64/95/393446495.db2.gz KXBGSJJODOSKSW-HNNXBMFYSA-N 2 0 289.423 2.971 20 30 CFEDRP C=CC[NH+]1CCC(Nc2cc[nH+]cc2-c2cccnc2)CC1 ZINC000374012132 393479678 /nfs/dbraw/zinc/47/96/78/393479678.db2.gz TURPHUKLOJDLFY-UHFFFAOYSA-N 2 0 294.402 2.628 20 30 CFEDRP CC[NH+](CC)CCOC1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000339009493 393810267 /nfs/dbraw/zinc/81/02/67/393810267.db2.gz KEFQTYXLDQHVLL-HOTGVXAUSA-N 2 0 293.455 2.501 20 30 CFEDRP CC[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(C#N)cc1 ZINC000423556926 394297224 /nfs/dbraw/zinc/29/72/24/394297224.db2.gz NCMFLMLIDPBYRB-MRXNPFEDSA-N 2 0 257.381 2.741 20 30 CFEDRP C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371179959 394298600 /nfs/dbraw/zinc/29/86/00/394298600.db2.gz ZQBPJWWLXZZETE-IAGOWNOFSA-N 2 0 280.456 2.511 20 30 CFEDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1nc(C#N)cs1 ZINC000352824501 163242820 /nfs/dbraw/zinc/24/28/20/163242820.db2.gz QVZATFJYPXNPFX-ZDUSSCGKSA-N 2 0 292.452 2.759 20 30 CFEDRP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000345118916 287130908 /nfs/dbraw/zinc/13/09/08/287130908.db2.gz YMMXZIOQXKOQSV-AWEZNQCLSA-N 2 0 271.408 2.893 20 30 CFEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000651705580 413582896 /nfs/dbraw/zinc/58/28/96/413582896.db2.gz XXVNEFREIIEWOC-KSZLIROESA-N 2 0 293.499 2.594 20 30 CFEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](CC[NH+](C)C)OCC)C1 ZINC000651753093 413616444 /nfs/dbraw/zinc/61/64/44/413616444.db2.gz DEGITCVWFKSRIW-OWCLPIDISA-N 2 0 268.445 2.678 20 30 CFEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000657572633 413762966 /nfs/dbraw/zinc/76/29/66/413762966.db2.gz DJCCICOLGPFEOI-BBWFWOEESA-N 2 0 281.488 2.593 20 30 CFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCN1CCCO ZINC000658026406 414113164 /nfs/dbraw/zinc/11/31/64/414113164.db2.gz UEXXOTSODBCKED-ZACQAIPSSA-N 2 0 280.456 2.558 20 30 CFEDRP C=CCCCCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323141 414506810 /nfs/dbraw/zinc/50/68/10/414506810.db2.gz LNIMGSHDSAZENV-MRXNPFEDSA-N 2 0 268.445 2.775 20 30 CFEDRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCCC#N)CC1 ZINC000346334327 287311049 /nfs/dbraw/zinc/31/10/49/287311049.db2.gz QVJCAUQMWJSNFY-GDBMZVCRSA-N 2 0 263.429 2.923 20 30 CFEDRP C[C@@H](NCC1(C#N)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347963462 226389863 /nfs/dbraw/zinc/38/98/63/226389863.db2.gz QODOTKSLRNURNL-ZIAGYGMSSA-N 2 0 261.413 2.533 20 30 CFEDRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000335600363 226510072 /nfs/dbraw/zinc/51/00/72/226510072.db2.gz LCZXKJUWRFYPNR-ZTRSQXPZSA-N 2 0 297.446 2.978 20 30 CFEDRP C=CCCCC[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000449125141 260232413 /nfs/dbraw/zinc/23/24/13/260232413.db2.gz RWMAYBQWRITVRQ-IRXDYDNUSA-N 2 0 282.472 2.804 20 30 CFEDRP C[C@@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)N(C)C1CC1 ZINC000126732330 260356745 /nfs/dbraw/zinc/35/67/45/260356745.db2.gz AKUSAHOMANROFQ-NXVRBGIVSA-N 2 0 283.419 2.683 20 30 CFEDRP C[C@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)N(C)C1CC1 ZINC000126732523 260356877 /nfs/dbraw/zinc/35/68/77/260356877.db2.gz AKUSAHOMANROFQ-MXWWQKGMSA-N 2 0 283.419 2.683 20 30 CFEDRP CN(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185792135 262071850 /nfs/dbraw/zinc/07/18/50/262071850.db2.gz DPDOYQUWPUCASG-KSZLIROESA-N 2 0 285.435 2.831 20 30 CFEDRP C=CCOc1ccc(C[NH2+]C[C@H](C)C[NH2+]C)cc1Cl ZINC000414838860 263057437 /nfs/dbraw/zinc/05/74/37/263057437.db2.gz LSASPUFTRHQIBS-GFCCVEGCSA-N 2 0 282.815 2.850 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000414843474 263058159 /nfs/dbraw/zinc/05/81/59/263058159.db2.gz CBEJOVAPKQIOPZ-GDBMZVCRSA-N 2 0 274.408 2.729 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000414843476 263058356 /nfs/dbraw/zinc/05/83/56/263058356.db2.gz CBEJOVAPKQIOPZ-HOCLYGCPSA-N 2 0 274.408 2.729 20 30 CFEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288720724 263105675 /nfs/dbraw/zinc/10/56/75/263105675.db2.gz LZUSJGOAJPUUNH-GFCCVEGCSA-N 2 0 296.365 2.566 20 30 CFEDRP C=CCOc1cccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000414982043 263180482 /nfs/dbraw/zinc/18/04/82/263180482.db2.gz YEUPAWDLDIFRPU-MRXNPFEDSA-N 2 0 274.408 2.873 20 30 CFEDRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000515124129 267194943 /nfs/dbraw/zinc/19/49/43/267194943.db2.gz YMNANXRNIYCBDG-DOTOQJQBSA-N 2 0 271.408 2.941 20 30 CFEDRP C=CCCC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000117877740 267224506 /nfs/dbraw/zinc/22/45/06/267224506.db2.gz JCGQIZLOMOGPKI-HOTGVXAUSA-N 2 0 280.456 2.774 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000370670714 267337746 /nfs/dbraw/zinc/33/77/46/267337746.db2.gz GMOBMLXXFFITFI-SZMVWBNQSA-N 2 0 298.430 2.976 20 30 CFEDRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000227498667 278255638 /nfs/dbraw/zinc/25/56/38/278255638.db2.gz FWYNSOSDOFNVMR-AWEZNQCLSA-N 2 0 271.408 2.941 20 30 CFEDRP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(C#N)cc1 ZINC000423400846 288070484 /nfs/dbraw/zinc/07/04/84/288070484.db2.gz QKSPBLCOPKDPKE-VBNZEHGJSA-N 2 0 257.381 2.597 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(C#N)cc1 ZINC000401169390 290025555 /nfs/dbraw/zinc/02/55/55/290025555.db2.gz WELUMUBUMLEJPA-OSMBCOQSSA-N 2 0 269.392 2.597 20 30 CFEDRP C=CCOc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000414980362 328285925 /nfs/dbraw/zinc/28/59/25/328285925.db2.gz WINWLRDBJKYELV-INIZCTEOSA-N 2 0 274.408 2.873 20 30 CFEDRP N#CCSCCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000173897488 329153390 /nfs/dbraw/zinc/15/33/90/329153390.db2.gz PQWDFUKFSUJOJT-OAHLLOKOSA-N 2 0 281.469 2.584 20 30 CFEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423099778 330170090 /nfs/dbraw/zinc/17/00/90/330170090.db2.gz UHBLZHQWXMCWIZ-ZCPGHIKRSA-N 2 0 272.392 2.702 20 30 CFEDRP C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)C1C[NH2+]C1 ZINC000423135841 330172134 /nfs/dbraw/zinc/17/21/34/330172134.db2.gz UQFKQQKJUVMCFJ-CJNGLKHVSA-N 2 0 257.381 2.619 20 30 CFEDRP C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)C1C[NH2+]C1 ZINC000423135843 330172200 /nfs/dbraw/zinc/17/22/00/330172200.db2.gz UQFKQQKJUVMCFJ-XJKSGUPXSA-N 2 0 257.381 2.619 20 30 CFEDRP N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC000423213238 330178497 /nfs/dbraw/zinc/17/84/97/330178497.db2.gz NBTDQQCJMWYJHC-IVMQYODDSA-N 2 0 297.446 2.980 20 30 CFEDRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000423296572 330188669 /nfs/dbraw/zinc/18/86/69/330188669.db2.gz ZLFUYYSAOOPWAT-JGGQBBKZSA-N 2 0 257.381 2.878 20 30 CFEDRP C=CCCCC[C@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000449195965 330905499 /nfs/dbraw/zinc/90/54/99/330905499.db2.gz XFZXMKMNPNJQRB-INIZCTEOSA-N 2 0 282.472 2.946 20 30 CFEDRP CC[NH+](CC)CC1CC[NH+](CC2(C#N)CCC2)CC1 ZINC000450263921 330969268 /nfs/dbraw/zinc/96/92/68/330969268.db2.gz RJFWSRUDLORSIM-UHFFFAOYSA-N 2 0 263.429 2.734 20 30 CFEDRP C=C(C)CC[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000352025482 526442334 /nfs/dbraw/zinc/44/23/34/526442334.db2.gz LLRZSXOSSFJSNI-UHFFFAOYSA-N 2 0 268.445 2.775 20 30 CFEDRP C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343992065 527140111 /nfs/dbraw/zinc/14/01/11/527140111.db2.gz RBSZMLHZBSYZCP-LSDHHAIUSA-N 2 0 291.439 2.712 20 30 CFEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC(C)(C)C#N)[C@H](C)C1 ZINC000347198373 528663867 /nfs/dbraw/zinc/66/38/67/528663867.db2.gz LKSNCBLPMSJOLS-HZPDHXFCSA-N 2 0 295.471 2.653 20 30 CFEDRP CC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423244144 529168234 /nfs/dbraw/zinc/16/82/34/529168234.db2.gz HIKPNBRIPNSMDC-GOEBONIOSA-N 2 0 257.381 2.599 20 30 CFEDRP C#CCCOc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000733322223 574221131 /nfs/dbraw/zinc/22/11/31/574221131.db2.gz CZUDNRQFLZCUKX-UHFFFAOYSA-N 2 0 286.419 2.664 20 30 CFEDRP CC[NH+](CC)[C@@H](C[NH+]=C(N(C)C)N(C)C)c1ccccc1 ZINC000104155590 617951426 /nfs/dbraw/zinc/95/14/26/617951426.db2.gz XQYJLFOJIJALBM-INIZCTEOSA-N 2 0 290.455 2.549 20 30 CFEDRP C[N@@H+]1CCC[C@H]2CN(Cc3csc(C#N)c3)CC[C@@H]21 ZINC000892228637 618015589 /nfs/dbraw/zinc/01/55/89/618015589.db2.gz POTDFJYOYUKWMD-ZFWWWQNUSA-N 2 0 275.421 2.536 20 30 CFEDRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000924862551 618328884 /nfs/dbraw/zinc/32/88/84/618328884.db2.gz RXVBJOYZZOVCDU-UONOGXRCSA-N 2 0 251.418 2.636 20 30 CFEDRP CC(C)(CCC#N)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925670940 618442083 /nfs/dbraw/zinc/44/20/83/618442083.db2.gz AYYYLBIIWRTKSB-RDBSUJKOSA-N 2 0 263.429 2.683 20 30 CFEDRP CC1(C)[C@H]([NH2+]Cc2ccc(CC#N)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925708364 618962807 /nfs/dbraw/zinc/96/28/07/618962807.db2.gz RPXJCQOFUDHJPW-IXDOHACOSA-N 2 0 283.419 2.619 20 30 CFEDRP C[NH+]1CCC(C[NH2+]Cc2ccc(C#N)c(Cl)c2)CC1 ZINC000894270941 619298531 /nfs/dbraw/zinc/29/85/31/619298531.db2.gz LYWHZJJIZKMNPT-UHFFFAOYSA-N 2 0 277.799 2.643 20 30 CFEDRP CCC1([NH+]2CCC2)CC[NH+](C[C@H](C)CCC#N)CC1 ZINC000895821611 619614976 /nfs/dbraw/zinc/61/49/76/619614976.db2.gz FPMABLYVQHZYFV-OAHLLOKOSA-N 2 0 263.429 2.877 20 30 CFEDRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000927035549 620444597 /nfs/dbraw/zinc/44/45/97/620444597.db2.gz BEEZTPWVRMGIGF-UIDBIOKJSA-N 2 0 261.413 2.675 20 30 CFEDRP CCCCCCCC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000902458189 621094907 /nfs/dbraw/zinc/09/49/07/621094907.db2.gz USPSBAOPXUULJI-LVYZTWJOSA-N 2 0 282.472 2.971 20 30 CFEDRP C=CCSCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903117096 621260339 /nfs/dbraw/zinc/26/03/39/621260339.db2.gz PMDKEUIJLOTEKK-LQDVMPOASA-N 2 0 266.454 2.653 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000903447546 621384981 /nfs/dbraw/zinc/38/49/81/621384981.db2.gz XDALDBYOVGLFEP-CGTJXYLNSA-N 2 0 283.419 2.734 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000903453894 621387437 /nfs/dbraw/zinc/38/74/37/621387437.db2.gz ORIZCVIUXZZUHV-QZTJIDSGSA-N 2 0 297.446 2.997 20 30 CFEDRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCCCC1(C#N)CCC1)C2 ZINC000903776545 621440201 /nfs/dbraw/zinc/44/02/01/621440201.db2.gz UKUWKIDYNSCHNX-IYBDPMFKSA-N 2 0 275.440 2.782 20 30 CFEDRP N#CC1(CCCCN2CCC[C@H]3C[NH2+]CC[C@H]32)CCC1 ZINC000903781915 621440933 /nfs/dbraw/zinc/44/09/33/621440933.db2.gz XBZKAGAMFLVTOQ-JKSUJKDBSA-N 2 0 275.440 2.924 20 30 CFEDRP C=CCOc1ccccc1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903975052 621493072 /nfs/dbraw/zinc/49/30/72/621493072.db2.gz WYGKSORAEFGGQK-HUUCEWRRSA-N 2 0 274.408 2.587 20 30 CFEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000911754201 622547308 /nfs/dbraw/zinc/54/73/08/622547308.db2.gz RYRWXNBWEYYZRH-HOCLYGCPSA-N 2 0 297.487 2.650 20 30 CFEDRP C=C(C)CNC(NC[C@H]1CC[N@@H+](C(C)C)C1)=[NH+]C(C)(C)C ZINC000912498770 622730367 /nfs/dbraw/zinc/73/03/67/622730367.db2.gz GXHXTMYJUJSMAR-OAHLLOKOSA-N 2 0 294.487 2.627 20 30 CFEDRP C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000157652752 623044446 /nfs/dbraw/zinc/04/44/46/623044446.db2.gz FJMUWJRUXQCEHG-YCPHGPKFSA-N 2 0 287.407 2.722 20 30 CFEDRP C#CC[C@@H]1CCC[NH+](CCC[N@H+]2CCC[C@@H](CC#C)C2)C1 ZINC000829809465 624549096 /nfs/dbraw/zinc/54/90/96/624549096.db2.gz BLANQOIHXFYIHJ-RTBURBONSA-N 2 0 286.463 2.847 20 30 CFEDRP C[C@H](CCNC(=[NH2+])NC(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC000083052632 625793702 /nfs/dbraw/zinc/79/37/02/625793702.db2.gz GLPOZOUGFHECHD-CQSZACIVSA-N 2 0 290.455 2.600 20 30 CFEDRP C=CCO[NH+]=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000835016712 625962352 /nfs/dbraw/zinc/96/23/52/625962352.db2.gz YTWZIHXIJYYUAC-UHFFFAOYSA-N 2 0 287.407 2.754 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000921780301 626120223 /nfs/dbraw/zinc/12/02/23/626120223.db2.gz PFZHWLPFDJHEFL-GOEBONIOSA-N 2 0 271.408 2.747 20 30 CFEDRP C=C[C@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000787307949 629006024 /nfs/dbraw/zinc/00/60/24/629006024.db2.gz AQYCBTJLECARKU-SFHVURJKSA-N 2 0 299.462 2.979 20 30 CFEDRP C=CC[C@H](CC)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000798501727 630196304 /nfs/dbraw/zinc/19/63/04/630196304.db2.gz LWFRTYKNPVBODB-KRWDZBQOSA-N 2 0 287.451 2.883 20 30 CFEDRP C[NH+]1CCC2(CCC[N@H+](CCC(C)(C)C#N)C2)CC1 ZINC000799178747 630284063 /nfs/dbraw/zinc/28/40/63/630284063.db2.gz IBMMWORNJNPWGV-UHFFFAOYSA-N 2 0 263.429 2.734 20 30 CFEDRP C#C[C@H](CC)[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000809686039 631262585 /nfs/dbraw/zinc/26/25/85/631262585.db2.gz JAWFHEWIVNAZNC-GOSISDBHSA-N 2 0 299.462 2.720 20 30 CFEDRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)[C@@H]1CCC[NH2+]C1 ZINC000817919570 632734588 /nfs/dbraw/zinc/73/45/88/632734588.db2.gz TXMCQIKUDUQJGH-SQWLQELKSA-N 2 0 287.407 2.628 20 30 CFEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000817919692 632734767 /nfs/dbraw/zinc/73/47/67/632734767.db2.gz UDNGCGNBDSTVOU-VNHYZAJKSA-N 2 0 275.396 2.583 20 30 CFEDRP C=CCCCCCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000817932790 632740784 /nfs/dbraw/zinc/74/07/84/632740784.db2.gz WQHPAVUOZNYOSR-IXDOHACOSA-N 2 0 280.456 2.870 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCC[NH2+]C(C)C)cc1 ZINC000817952313 632752754 /nfs/dbraw/zinc/75/27/54/632752754.db2.gz DNGUAZPDTNTGLZ-OAHLLOKOSA-N 2 0 274.408 2.737 20 30 CFEDRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(OCC#N)cc1 ZINC000817966934 632766303 /nfs/dbraw/zinc/76/63/03/632766303.db2.gz ZQESTINYTSTBPZ-PBHICJAKSA-N 2 0 287.407 2.629 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000817974922 632773270 /nfs/dbraw/zinc/77/32/70/632773270.db2.gz HSVZEBRTQFYGQS-CABCVRRESA-N 2 0 274.408 2.867 20 30 CFEDRP C=C(C)CNC(=[NH2+])NCCC[N@@H+](CC)C1CCCCC1 ZINC000849047056 633479636 /nfs/dbraw/zinc/47/96/36/633479636.db2.gz OFECVZMBFBIIMC-UHFFFAOYSA-N 2 0 280.460 2.721 20 30 CFEDRP C#CCOc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000858246048 636162666 /nfs/dbraw/zinc/16/26/66/636162666.db2.gz SDWRAPOHWYIXGR-KRWDZBQOSA-N 2 0 286.419 2.520 20 30 CFEDRP C=CCN1CCC([NH2+]Cc2cc(F)ccc2N(C)C)CC1 ZINC000865454160 638345577 /nfs/dbraw/zinc/34/55/77/638345577.db2.gz RVSBARVFKRANHW-UHFFFAOYSA-N 2 0 291.414 2.632 20 30 CFEDRP C=C(C)C[NH+]1CCC(Nc2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865522448 638394183 /nfs/dbraw/zinc/39/41/83/638394183.db2.gz PWAYBEWGJKOVOS-UHFFFAOYSA-N 2 0 299.340 2.975 20 30 CFEDRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000866468274 638826794 /nfs/dbraw/zinc/82/67/94/638826794.db2.gz DGNHWOGCAKWKOO-HOTGVXAUSA-N 2 0 263.429 2.779 20 30 CFEDRP C[C@H](c1ccc(C#N)cc1)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866584430 638849128 /nfs/dbraw/zinc/84/91/28/638849128.db2.gz IGVKJFHACGGQCJ-KBRIMQKVSA-N 2 0 269.392 2.645 20 30 CFEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000873260518 642105253 /nfs/dbraw/zinc/10/52/53/642105253.db2.gz CHIZYKSOHPCZKZ-DNMXQMFDSA-N 2 0 281.403 2.666 20 30 CFEDRP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c3ccccc31)C2 ZINC000873274945 642115298 /nfs/dbraw/zinc/11/52/98/642115298.db2.gz HXWYETFUOLPIIZ-MNEFBYGVSA-N 2 0 289.382 2.760 20 30 CFEDRP C[C@@H]1CCC[N@H+](CCCCNC(=[NH2+])N2CCCCCC2)C1 ZINC000125986557 642892458 /nfs/dbraw/zinc/89/24/58/642892458.db2.gz BXFOBYRMTJNIJR-MRXNPFEDSA-N 2 0 294.487 2.689 20 30 CFEDRP C#CCCCCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000876576261 642931312 /nfs/dbraw/zinc/93/13/12/642931312.db2.gz HJOSJHLJPQGUAM-UHFFFAOYSA-N 2 0 250.430 2.844 20 30 CFEDRP C#CCCCCCC[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000877653591 643433584 /nfs/dbraw/zinc/43/35/84/643433584.db2.gz OCKBYQAZWBOBRI-MRXNPFEDSA-N 2 0 250.430 2.892 20 30 CFEDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(C#N)cs1)CC2 ZINC000877683887 643452126 /nfs/dbraw/zinc/45/21/26/643452126.db2.gz ACAKGKQWFPNWDZ-UHFFFAOYSA-N 2 0 289.448 2.928 20 30 CFEDRP C#CCCCCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000878134043 643754415 /nfs/dbraw/zinc/75/44/15/643754415.db2.gz OLFOENQDUOVPHR-KRWDZBQOSA-N 2 0 262.441 2.988 20 30 CFEDRP C[C@H]1C[N@H+](CCCC(C)(C)C#N)CCN1c1cc[nH+]cc1 ZINC000880261656 644618751 /nfs/dbraw/zinc/61/87/51/644618751.db2.gz KXWKJEVRGHAWPK-HNNXBMFYSA-N 2 0 286.423 2.922 20 30 CFEDRP CCCCCCNC(=[NH2+])NCC[NH+](C(C)C)C(C)C ZINC000303710896 650999260 /nfs/dbraw/zinc/99/92/60/650999260.db2.gz OZLSMXTYJMNRPK-UHFFFAOYSA-N 2 0 270.465 2.590 20 30 CFEDRP CC(C)[C@H](CNC(=[NH2+])N1CCCCC1)[NH+]1CCC(C)CC1 ZINC000303868250 651004580 /nfs/dbraw/zinc/00/45/80/651004580.db2.gz AJOOEPNTONHNKT-INIZCTEOSA-N 2 0 294.487 2.544 20 30 CFEDRP C[C@@H]1CCCN(C(=[NH2+])NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000303877495 651005209 /nfs/dbraw/zinc/00/52/09/651005209.db2.gz FIIVBTRJRJLRNW-ZBFHGGJFSA-N 2 0 294.487 2.544 20 30 CFEDRP C[C@@H]1CCCN(C(=[NH2+])NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000303877492 651005286 /nfs/dbraw/zinc/00/52/86/651005286.db2.gz FIIVBTRJRJLRNW-GDBMZVCRSA-N 2 0 294.487 2.544 20 30 CFEDRP CCc1cccc(CC)c1NC(=[NH2+])NCC(C)(C)[NH+](C)C ZINC000303768568 651001099 /nfs/dbraw/zinc/00/10/99/651001099.db2.gz AKMLXQWUAIJVDC-UHFFFAOYSA-N 2 0 290.455 2.878 20 30 CFEDRP CCc1ccc(NC(=[NH2+])NCC[N@@H+](C)[C@H](C)CC)cc1 ZINC000303988931 651011188 /nfs/dbraw/zinc/01/11/88/651011188.db2.gz WZIQTOHGFJYJDA-CYBMUJFWSA-N 2 0 276.428 2.706 20 30 CFEDRP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCC)C1)[C@@H]1CCCO1 ZINC000883175462 645641663 /nfs/dbraw/zinc/64/16/63/645641663.db2.gz HXIXAVBCTHWPLW-ULQDDVLXSA-N 2 0 280.456 2.822 20 30 CFEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000304706663 651030200 /nfs/dbraw/zinc/03/02/00/651030200.db2.gz XDLJILKKSOOARX-UHFFFAOYSA-N 2 0 288.439 2.634 20 30 CFEDRP C=CCC[C@H]([NH2+]CC1CC[NH+](CC)CC1)[C@@H]1CCCO1 ZINC000883186197 645648222 /nfs/dbraw/zinc/64/82/22/645648222.db2.gz NJHIGDKCVCGVBQ-IRXDYDNUSA-N 2 0 280.456 2.822 20 30 CFEDRP C=CCC[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)[C@H]1CCCO1 ZINC000883193442 645654397 /nfs/dbraw/zinc/65/43/97/645654397.db2.gz WIYOTKARADTHRF-XUWVNRHRSA-N 2 0 266.429 2.573 20 30 CFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(CC(C)C)CCC1 ZINC000304995461 651040089 /nfs/dbraw/zinc/04/00/89/651040089.db2.gz FONKOUVCZOYRHE-HNNXBMFYSA-N 2 0 294.487 2.591 20 30 CFEDRP C=C(C)C[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000883389889 645788227 /nfs/dbraw/zinc/78/82/27/645788227.db2.gz BBEZUWFBRKNKKY-KBAYOESNSA-N 2 0 294.483 2.946 20 30 CFEDRP N#CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886587897 647055467 /nfs/dbraw/zinc/05/54/67/647055467.db2.gz HZJVKMVNXDRJLD-KSZLIROESA-N 2 0 283.419 2.933 20 30 CFEDRP C[C@H](CC(C)(C)C#N)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000924713921 648033840 /nfs/dbraw/zinc/03/38/40/648033840.db2.gz UKVZQRXWFXWPSV-CYBMUJFWSA-N 2 0 263.429 2.779 20 30 CFEDRP C=CCSCC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925591056 648230529 /nfs/dbraw/zinc/23/05/29/648230529.db2.gz NRHDMWQBPADSPA-HNNXBMFYSA-N 2 0 264.438 2.975 20 30 CFEDRP C=CCSCC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925591057 648230748 /nfs/dbraw/zinc/23/07/48/648230748.db2.gz NRHDMWQBPADSPA-OAHLLOKOSA-N 2 0 264.438 2.975 20 30 CFEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925681953 648278059 /nfs/dbraw/zinc/27/80/59/648278059.db2.gz RCMZTUTVSBTYBJ-QSPRXWTASA-N 2 0 275.440 2.827 20 30 CFEDRP C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925691288 648280965 /nfs/dbraw/zinc/28/09/65/648280965.db2.gz NSCDUWZMCYNNBU-SWAOIJHYSA-N 2 0 282.431 2.760 20 30 CFEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925704678 648287373 /nfs/dbraw/zinc/28/73/73/648287373.db2.gz IVKKEZXUPAPTOD-BBWFWOEESA-N 2 0 274.408 2.647 20 30 CFEDRP C=CCCSCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925708643 648289919 /nfs/dbraw/zinc/28/99/19/648289919.db2.gz RMEVHGIGHIJQLG-CHWSQXEVSA-N 2 0 256.459 2.791 20 30 CFEDRP CC[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(C#N)cc1 ZINC000925803517 648328290 /nfs/dbraw/zinc/32/82/90/648328290.db2.gz QMQGTXOFEQAPHB-KBRIMQKVSA-N 2 0 271.408 2.845 20 30 CFEDRP C=CCOCC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926117351 648409517 /nfs/dbraw/zinc/40/95/17/648409517.db2.gz YFWJGAOXGSQBKA-AWEZNQCLSA-N 2 0 262.397 2.601 20 30 CFEDRP C[C@@H](CC(C)(C)C#N)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000926574514 648539365 /nfs/dbraw/zinc/53/93/65/648539365.db2.gz VEOJSJAFZOGFQN-KBPBESRZSA-N 2 0 251.418 2.636 20 30 CFEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926612189 648551358 /nfs/dbraw/zinc/55/13/58/648551358.db2.gz ZIKDTTQYRFYUJC-RDJZCZTQSA-N 2 0 280.456 2.678 20 30 CFEDRP C[C@@H](NCC1(C#N)CC1)c1cccc(C[NH+](C)C)c1 ZINC000926872770 648641071 /nfs/dbraw/zinc/64/10/71/648641071.db2.gz AHWOVYGXZDTCEM-CYBMUJFWSA-N 2 0 257.381 2.703 20 30 CFEDRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000929790728 649122759 /nfs/dbraw/zinc/12/27/59/649122759.db2.gz LWJNXHGQJFXQMJ-INIZCTEOSA-N 2 0 285.435 2.949 20 30 CFEDRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000929790730 649123270 /nfs/dbraw/zinc/12/32/70/649123270.db2.gz LWJNXHGQJFXQMJ-MRXNPFEDSA-N 2 0 285.435 2.949 20 30 CFEDRP C=CCCC[NH+]1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001209160052 770007554 /nfs/dbraw/zinc/00/75/54/770007554.db2.gz AVXVWVUFYGVOEB-INIZCTEOSA-N 2 0 266.429 2.528 20 30 CFEDRP C#CC1CC[NH+]([C@@H](C)CCC[NH+](CC)CC)CC1 ZINC001167839941 776594637 /nfs/dbraw/zinc/59/46/37/776594637.db2.gz CUOGFYUSNCMCMM-HNNXBMFYSA-N 2 0 250.430 2.842 20 30 CFEDRP C[NH2+][C@@]12CC[C@@]([NH2+]CCOc3ccccc3C#N)(C1)CCC2 ZINC001277596137 777403684 /nfs/dbraw/zinc/40/36/84/777403684.db2.gz RRNCDSVDSQVLRG-ZWKOTPCHSA-N 2 0 299.418 2.591 20 30 CFEDRP C[N@@H+](Cc1ccc(C#N)c(Cl)c1)CC1CC[NH+](C)CC1 ZINC001232117557 777445454 /nfs/dbraw/zinc/44/54/54/777445454.db2.gz CLULMGFXAOLBKJ-UHFFFAOYSA-N 2 0 291.826 2.985 20 30 CFEDRP C[N@@H+](Cc1ccc(Cl)cc1C#N)CC1CC[NH+](C)CC1 ZINC001232607330 777614951 /nfs/dbraw/zinc/61/49/51/777614951.db2.gz KWCMVXALARKUPN-UHFFFAOYSA-N 2 0 291.826 2.985 20 30 CFEDRP C[NH+](C)C1CCC([N@@H+]2CCc3cc(C#N)ccc3C2)CC1 ZINC001168315057 778426839 /nfs/dbraw/zinc/42/68/39/778426839.db2.gz QKEJEWARKOHQAY-UHFFFAOYSA-N 2 0 283.419 2.789 20 30 CFEDRP N#CCCC[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001277943468 778482870 /nfs/dbraw/zinc/48/28/70/778482870.db2.gz WRTJTRZXBZLYOH-UHFFFAOYSA-N 2 0 261.413 2.631 20 30 CFEDRP C#CC[N@H+](CCC1CC[NH2+]CC1)[C@@H]1CCc2ccccc21 ZINC001235833431 778572971 /nfs/dbraw/zinc/57/29/71/778572971.db2.gz DSDNBHHUPQDMQA-LJQANCHMSA-N 2 0 282.431 2.999 20 30 CFEDRP C=CC[NH2+]CCN(Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236681046 778909299 /nfs/dbraw/zinc/90/92/99/778909299.db2.gz ABFIQRAQWIFZRS-IYARVYRRSA-N 2 0 287.451 2.534 20 30 CFEDRP N#Cc1cccc(CCC[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237379732 779085923 /nfs/dbraw/zinc/08/59/23/779085923.db2.gz CWRYXZJVFGNQFA-MSOLQXFVSA-N 2 0 283.419 2.565 20 30 CFEDRP CCCC[NH+]1CCC(N(C)Cc2ccnc(C#N)c2)CC1 ZINC001237462218 779113201 /nfs/dbraw/zinc/11/32/01/779113201.db2.gz GWQFULDFTGJULH-UHFFFAOYSA-N 2 0 286.423 2.650 20 30 CFEDRP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(C#N)cc1Cl)CC2 ZINC001238086754 779249786 /nfs/dbraw/zinc/24/97/86/779249786.db2.gz OEXQAKVHQSGGOM-UHFFFAOYSA-N 2 0 289.810 2.739 20 30 CFEDRP C[C@@H]([NH3+])c1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc1 ZINC001240351618 780103071 /nfs/dbraw/zinc/10/30/71/780103071.db2.gz WKLGPVCZNAVBIV-GFCCVEGCSA-N 2 0 277.371 2.932 20 30 CFEDRP C[C@@H]([NH3+])c1cccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c1 ZINC001240355051 780107082 /nfs/dbraw/zinc/10/70/82/780107082.db2.gz AXAGQENJKWOZPT-GFCCVEGCSA-N 2 0 277.371 2.932 20 30 CFEDRP C[N@H+]1CC=C(c2ccccc2C2(C#N)CC[NH2+]CC2)CC1 ZINC001241333395 780787546 /nfs/dbraw/zinc/78/75/46/780787546.db2.gz UTWSQVJRVZNORY-UHFFFAOYSA-N 2 0 281.403 2.550 20 30 CFEDRP N#Cc1ccc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)cn1 ZINC001241434308 780880701 /nfs/dbraw/zinc/88/07/01/780880701.db2.gz MFXBAQVOXZIIBD-UHFFFAOYSA-N 2 0 292.386 2.543 20 30 CFEDRP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594917761 349505726 /nfs/dbraw/zinc/50/57/26/349505726.db2.gz NJBSOHXALJMOQS-CQSZACIVSA-N 2 0 271.408 2.672 20 30 CFEDRP CC(C)(C)[NH+]1CCC([NH2+]CCc2ccc(C#N)cc2)CC1 ZINC000595055854 349567451 /nfs/dbraw/zinc/56/74/51/349567451.db2.gz KRVBRFPTNGVMEQ-UHFFFAOYSA-N 2 0 285.435 2.953 20 30 CFEDRP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2ccc(C#N)cc2)C1 ZINC000595346822 349607285 /nfs/dbraw/zinc/60/72/85/349607285.db2.gz MCJDSLXPDLNFNB-GOSISDBHSA-N 2 0 285.435 2.764 20 30 CFEDRP C[C@H]1CC2(C[N@@H+]1CCc1ccc(C#N)cc1)CC[NH2+]CC2 ZINC000595891156 349762909 /nfs/dbraw/zinc/76/29/09/349762909.db2.gz BFJJJWRSNFPFGG-HNNXBMFYSA-N 2 0 283.419 2.565 20 30 CFEDRP N#Cc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000595901224 349765233 /nfs/dbraw/zinc/76/52/33/349765233.db2.gz SMBFJJBYJPKBQT-GOSISDBHSA-N 2 0 283.419 2.770 20 30 CFEDRP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000596059533 349783235 /nfs/dbraw/zinc/78/32/35/349783235.db2.gz PQWOACVHMIKIRK-SFHVURJKSA-N 2 0 283.419 2.770 20 30 CFEDRP C=CCCSCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000596652386 349969485 /nfs/dbraw/zinc/96/94/85/349969485.db2.gz TTWIQTGUYMBELI-ZNMIVQPWSA-N 2 0 268.470 2.806 20 30 CFEDRP C=CCCC[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000080645533 347371753 /nfs/dbraw/zinc/37/17/53/347371753.db2.gz WGDMGAKNSJMARM-UHFFFAOYSA-N 2 0 268.445 2.775 20 30 CFEDRP C=CCCC[C@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000091508829 347591205 /nfs/dbraw/zinc/59/12/05/347591205.db2.gz YIYVERFUNAYGCW-INIZCTEOSA-N 2 0 280.456 2.775 20 30 CFEDRP C=CCCC[C@@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000091508831 347591375 /nfs/dbraw/zinc/59/13/75/347591375.db2.gz YIYVERFUNAYGCW-MRXNPFEDSA-N 2 0 280.456 2.775 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000268989882 348328938 /nfs/dbraw/zinc/32/89/38/348328938.db2.gz JNAJUHXUMKQKFO-LSDHHAIUSA-N 2 0 274.408 2.689 20 30 CFEDRP C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)C1CC[NH+](C)CC1 ZINC000403981989 348589592 /nfs/dbraw/zinc/58/95/92/348589592.db2.gz GIBJSEZCZYPUEI-GFCCVEGCSA-N 2 0 275.371 2.517 20 30 CFEDRP CC[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(C#N)cc1 ZINC000591579946 349032032 /nfs/dbraw/zinc/03/20/32/349032032.db2.gz AUGPSRGDLUDQBX-CVEARBPZSA-N 2 0 269.392 2.741 20 30 CFEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC000591582677 349032801 /nfs/dbraw/zinc/03/28/01/349032801.db2.gz SWBJPAYPITWVKL-RDJZCZTQSA-N 2 0 281.403 2.810 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000591582513 349033066 /nfs/dbraw/zinc/03/30/66/349033066.db2.gz VPJDOKLJRMVQAZ-UNEWFSDZSA-N 2 0 269.392 2.653 20 30 CFEDRP N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000592470944 349126767 /nfs/dbraw/zinc/12/67/67/349126767.db2.gz PEPHALWGYWEPAC-QLFBSQMISA-N 2 0 289.810 2.689 20 30 CFEDRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000593324567 349247449 /nfs/dbraw/zinc/24/74/49/349247449.db2.gz XIIKWPWAKBLLFI-CYBMUJFWSA-N 2 0 257.381 2.599 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000593321343 349247544 /nfs/dbraw/zinc/24/75/44/349247544.db2.gz IJWIBCLOZHYEQB-SFHVURJKSA-N 2 0 283.419 2.915 20 30 CFEDRP C=CCCSCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000597184260 350046869 /nfs/dbraw/zinc/04/68/69/350046869.db2.gz IEUOHEZMKMSTOZ-UHFFFAOYSA-N 2 0 291.464 2.949 20 30 CFEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000105456985 186058367 /nfs/dbraw/zinc/05/83/67/186058367.db2.gz ABWJSGGCSSXOEX-QGZVFWFLSA-N 2 0 271.408 2.768 20 30 CFEDRP Cc1ccc(CN2CCC[C@@H]([NH+](C)C)CC2)cc1C#N ZINC000599384696 350428815 /nfs/dbraw/zinc/42/88/15/350428815.db2.gz CDACSKKNOQJMHB-QGZVFWFLSA-N 2 0 271.408 2.783 20 30 CFEDRP N#CCc1cccc2c1CCN(CCC[NH+]1CCCCC1)C2 ZINC000599676678 350480214 /nfs/dbraw/zinc/48/02/14/350480214.db2.gz BSGUGPHPIHJHAN-UHFFFAOYSA-N 2 0 297.446 2.987 20 30 CFEDRP N#C[C@@H]1CCC[C@H]([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000602019517 350833051 /nfs/dbraw/zinc/83/30/51/350833051.db2.gz FUMQIKBTEPXJDZ-ZACQAIPSSA-N 2 0 271.408 2.618 20 30 CFEDRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(C#N)cc1 ZINC000602022870 350834773 /nfs/dbraw/zinc/83/47/73/350834773.db2.gz WKZVJNYPEVIVPR-XNRPHZJLSA-N 2 0 257.381 2.726 20 30 CFEDRP C[C@@H](CCC#N)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000602478248 350898761 /nfs/dbraw/zinc/89/87/61/350898761.db2.gz OKLWNEQSWPKHTM-HOTGVXAUSA-N 2 0 263.429 2.877 20 30 CFEDRP C[C@@H](CCC#N)C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000602505603 350908943 /nfs/dbraw/zinc/90/89/43/350908943.db2.gz ZGYKQRVIBALKSY-HNNXBMFYSA-N 2 0 251.418 2.638 20 30 CFEDRP N#CC1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000602518997 350912778 /nfs/dbraw/zinc/91/27/78/350912778.db2.gz CTSANJCIIXMVMB-UHFFFAOYSA-N 2 0 261.413 2.533 20 30 CFEDRP C[C@@H](CCC#N)C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000602548211 350919951 /nfs/dbraw/zinc/91/99/51/350919951.db2.gz RZMJEOYWSYTGLW-ZDUSSCGKSA-N 2 0 277.387 2.917 20 30 CFEDRP C[C@@H](CCC#N)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000602583190 350934754 /nfs/dbraw/zinc/93/47/54/350934754.db2.gz RKGNUMYIZRBOTJ-NFOMZHRRSA-N 2 0 251.418 2.636 20 30 CFEDRP C[C@H](CCC#N)C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000602609074 350944313 /nfs/dbraw/zinc/94/43/13/350944313.db2.gz QSUVGKOIZRPQKH-HUUCEWRRSA-N 2 0 251.418 2.780 20 30 CFEDRP C[C@H](CCC#N)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000602631687 350953237 /nfs/dbraw/zinc/95/32/37/350953237.db2.gz QQRPAPJZIBZMHL-CQSZACIVSA-N 2 0 251.418 2.638 20 30 CFEDRP C[NH+]1CCC2(CC[N@H+](CCc3ccc(C#N)cc3)C2)CC1 ZINC000602878985 351056438 /nfs/dbraw/zinc/05/64/38/351056438.db2.gz XUVMRGVKLZJTMR-UHFFFAOYSA-N 2 0 283.419 2.518 20 30 CFEDRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000603431699 351163140 /nfs/dbraw/zinc/16/31/40/351163140.db2.gz GESYYWZNMLUNJE-OLZOCXBDSA-N 2 0 297.324 2.792 20 30 CFEDRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611392892 351680440 /nfs/dbraw/zinc/68/04/40/351680440.db2.gz UCLQVXWFEKZAHE-CRAIPNDOSA-N 2 0 283.419 2.867 20 30 CFEDRP C=CCC1([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)CCCCC1 ZINC000625934336 354148972 /nfs/dbraw/zinc/14/89/72/354148972.db2.gz KJBOFMUJXVBAGD-OAHLLOKOSA-N 2 0 268.445 2.556 20 30 CFEDRP C=CC[C@@H]1CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000629548511 354843877 /nfs/dbraw/zinc/84/38/77/354843877.db2.gz HEPLJAFFGPOHMM-CQSZACIVSA-N 2 0 256.393 2.730 20 30 CFEDRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000037644626 372681762 /nfs/dbraw/zinc/68/17/62/372681762.db2.gz OFHZBDCQSSEMFO-ZFWWWQNUSA-N 2 0 257.381 2.551 20 30 CFEDRP C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)C[NH+]1CCCC1 ZINC000062078852 373746868 /nfs/dbraw/zinc/74/68/68/373746868.db2.gz VPVJSOIRCZUWAA-CABCVRRESA-N 2 0 271.408 2.941 20 30 CFEDRP N#Cc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000063197547 373795043 /nfs/dbraw/zinc/79/50/43/373795043.db2.gz KTPCRGHWFURZGJ-KRWDZBQOSA-N 2 0 269.392 2.522 20 30 CFEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2cc(C)cc(C)c2)C1 ZINC000264086400 383694926 /nfs/dbraw/zinc/69/49/26/383694926.db2.gz JOZIJMXUUOJGJH-OAHLLOKOSA-N 2 0 288.439 2.762 20 30 CFEDRP C#Cc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000289507317 197383013 /nfs/dbraw/zinc/38/30/13/197383013.db2.gz CWKDWSAKJMXDCZ-UHFFFAOYSA-N 2 0 268.404 2.632 20 30 CFEDRP CCC[N@H+](C)C[C@H]1CC[NH+](CC(C)(C)CCC#N)C1 ZINC000093753263 375304272 /nfs/dbraw/zinc/30/42/72/375304272.db2.gz RSZKLVBOXKUOBC-OAHLLOKOSA-N 2 0 265.445 2.980 20 30 CFEDRP Cc1ccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC000104172483 375772110 /nfs/dbraw/zinc/77/21/10/375772110.db2.gz MWFBVPJRTGWDSO-CQSZACIVSA-N 2 0 286.423 2.514 20 30 CFEDRP CC[N@H+](CCNC(=[NH2+])Nc1cc(C)cc(C)c1)C1CC1 ZINC000264232807 383714318 /nfs/dbraw/zinc/71/43/18/383714318.db2.gz CJJXCRYNHIIALO-UHFFFAOYSA-N 2 0 274.412 2.514 20 30 CFEDRP C=CCC[C@@H](O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000128975322 377368757 /nfs/dbraw/zinc/36/87/57/377368757.db2.gz ZPALJJFKTKLWEI-KZNAEPCWSA-N 2 0 294.483 2.900 20 30 CFEDRP CC(C)[N@@H+]1CC[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000135166763 378094420 /nfs/dbraw/zinc/09/44/20/378094420.db2.gz LRTVWVBVQSDQMQ-CQSZACIVSA-N 2 0 251.418 2.636 20 30 CFEDRP C#CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000266160710 190236252 /nfs/dbraw/zinc/23/62/52/190236252.db2.gz NKMSULXSJWVZNR-YJBOKZPZSA-N 2 0 286.419 2.519 20 30 CFEDRP CC[NH+](CC)[C@@H](CNC(=[NH2+])Nc1ccccn1)CC(C)C ZINC000170910351 379192302 /nfs/dbraw/zinc/19/23/02/379192302.db2.gz VOZOJRRKOSAIBG-CQSZACIVSA-N 2 0 291.443 2.565 20 30 CFEDRP C[NH+]1CCC(CC[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000404157053 380903190 /nfs/dbraw/zinc/90/31/90/380903190.db2.gz WPVRDYLDSBUWSI-UHFFFAOYSA-N 2 0 275.371 2.519 20 30 CFEDRP C[C@@H](CCC#N)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000411430083 381026721 /nfs/dbraw/zinc/02/67/21/381026721.db2.gz SBVLFCZVTCTOHO-HNNXBMFYSA-N 2 0 286.423 2.922 20 30 CFEDRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC(C)(C)CCC#N ZINC000342296914 381256878 /nfs/dbraw/zinc/25/68/78/381256878.db2.gz JVOHADIVUDNEAI-UHFFFAOYSA-N 2 0 297.406 2.995 20 30 CFEDRP C#Cc1ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000290090272 381293654 /nfs/dbraw/zinc/29/36/54/381293654.db2.gz RERJMINZOJOXIJ-GOSISDBHSA-N 2 0 268.404 2.586 20 30 CFEDRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)[C@@H](C)C1 ZINC000348235509 381473635 /nfs/dbraw/zinc/47/36/35/381473635.db2.gz ZUHNGGYKNMSVQT-UONOGXRCSA-N 2 0 251.418 2.636 20 30 CFEDRP C=C(C)C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348332396 381512227 /nfs/dbraw/zinc/51/22/27/381512227.db2.gz TXZFZDLNYOFOQS-IRXDYDNUSA-N 2 0 256.393 2.626 20 30 CFEDRP C=CC1CC[NH+](CCOCC[NH+]2CCC(C=C)CC2)CC1 ZINC000343671731 381880204 /nfs/dbraw/zinc/88/02/04/381880204.db2.gz XJZKWVGRJZHMNG-UHFFFAOYSA-N 2 0 292.467 2.799 20 30 CFEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000350313997 382011573 /nfs/dbraw/zinc/01/15/73/382011573.db2.gz AJEOGLNLWNOSRI-INIZCTEOSA-N 2 0 295.471 2.749 20 30 CFEDRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000349826870 381993767 /nfs/dbraw/zinc/99/37/67/381993767.db2.gz FIDNUABOUARXCY-HOTGVXAUSA-N 2 0 257.381 2.530 20 30 CFEDRP C=C(C)CC[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000351819500 382063569 /nfs/dbraw/zinc/06/35/69/382063569.db2.gz ASMZUBQHUOMQNP-HOTGVXAUSA-N 2 0 268.445 2.679 20 30 CFEDRP C=CCCCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376057380 382118971 /nfs/dbraw/zinc/11/89/71/382118971.db2.gz YWMRYKBTEQACAI-QZTJIDSGSA-N 2 0 293.499 2.691 20 30 CFEDRP CC#CCC[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000376374215 382132458 /nfs/dbraw/zinc/13/24/58/382132458.db2.gz CJDGFILFRZLACC-HNNXBMFYSA-N 2 0 260.425 2.596 20 30 CFEDRP N#Cc1ccc(F)c(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000365549508 382410261 /nfs/dbraw/zinc/41/02/61/382410261.db2.gz RPJBDRYXDYQVQV-RYRKJORJSA-N 2 0 299.393 2.613 20 30 CFEDRP N#Cc1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c(F)c1 ZINC000365550885 382410514 /nfs/dbraw/zinc/41/05/14/382410514.db2.gz VKBYLLASXRHZGF-NUJGCVRESA-N 2 0 299.393 2.613 20 30 CFEDRP N#CCCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309683107 382490815 /nfs/dbraw/zinc/49/08/15/382490815.db2.gz BAERLSRXPCEXIJ-FGTMMUONSA-N 2 0 283.419 2.790 20 30 CFEDRP C[N@@H+]1CC[C@]2(CC[NH+](CCCCC(C)(C)C#N)C2)C1 ZINC000366329270 382498792 /nfs/dbraw/zinc/49/87/92/382498792.db2.gz ZYNZHHSPGLGBSS-INIZCTEOSA-N 2 0 263.429 2.734 20 30 CFEDRP C=C(CC)C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000346961993 382587354 /nfs/dbraw/zinc/58/73/54/382587354.db2.gz AIXCJUXAZWYTFB-WBVHZDCISA-N 2 0 273.424 2.848 20 30 CFEDRP CC[C@H]([NH2+]CCC[NH2+]C(C)C)c1ccc(C#N)cc1 ZINC000576099160 382809978 /nfs/dbraw/zinc/80/99/78/382809978.db2.gz BOSDRWFKGJTLBF-INIZCTEOSA-N 2 0 259.397 2.987 20 30 CFEDRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)ccc1F ZINC000442771892 382953290 /nfs/dbraw/zinc/95/32/90/382953290.db2.gz UYAOYKIWURSRJI-IUODEOHRSA-N 2 0 275.371 2.669 20 30 CFEDRP C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000539248123 382960848 /nfs/dbraw/zinc/96/08/48/382960848.db2.gz LDAVOWJVZOWOGT-QZTJIDSGSA-N 2 0 293.499 2.832 20 30 CFEDRP C[C@@H]1C[C@H](NCC2(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000578398182 382917570 /nfs/dbraw/zinc/91/75/70/382917570.db2.gz GBWHSHZWACKANY-NVXWUHKLSA-N 2 0 283.419 2.933 20 30 CFEDRP C=CCOc1cccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000442924685 382963423 /nfs/dbraw/zinc/96/34/23/382963423.db2.gz SQIIOKUQKWYKSZ-OAHLLOKOSA-N 2 0 274.408 2.812 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(C#N)c(F)c1 ZINC000423407350 383086303 /nfs/dbraw/zinc/08/63/03/383086303.db2.gz ZYQSOEHVYYLPPK-ZLKJLUDKSA-N 2 0 261.344 2.618 20 30 CFEDRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(C#N)c(F)c1 ZINC000423407348 383086586 /nfs/dbraw/zinc/08/65/86/383086586.db2.gz ZYQSOEHVYYLPPK-GDLCADMTSA-N 2 0 261.344 2.618 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CC2 ZINC000423436868 383095985 /nfs/dbraw/zinc/09/59/85/383095985.db2.gz LYFAAUPCMAEPQU-RCCFBDPRSA-N 2 0 281.403 2.523 20 30 CFEDRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(C#N)c(F)c1 ZINC000423483929 383115513 /nfs/dbraw/zinc/11/55/13/383115513.db2.gz QIVYNQOOMILZQH-WFASDCNBSA-N 2 0 275.371 2.880 20 30 CFEDRP CC(C)[N@H+](C)CC1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000555337337 383148417 /nfs/dbraw/zinc/14/84/17/383148417.db2.gz PWOSWAREERXEPN-HOTGVXAUSA-N 2 0 263.429 2.731 20 30 CFEDRP C=CC[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000248531796 383254693 /nfs/dbraw/zinc/25/46/93/383254693.db2.gz YDYCUYDWYOIPJF-USXIJHARSA-N 2 0 280.456 2.556 20 30 CFEDRP CC#CCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000248401266 383236671 /nfs/dbraw/zinc/23/66/71/383236671.db2.gz ZFTXDSYLCKJDJU-SJORKVTESA-N 2 0 262.441 2.986 20 30 CFEDRP Cn1ccnc1[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000568583645 383415893 /nfs/dbraw/zinc/41/58/93/383415893.db2.gz CCWMBRJSWNWUCY-HNNXBMFYSA-N 2 0 299.805 2.915 20 30 CFEDRP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000423221120 533503133 /nfs/dbraw/zinc/50/31/33/533503133.db2.gz WGWQPMMDSRDWTG-ZOWXZIJZSA-N 2 0 275.371 2.736 20 30 CFEDRP CC[NH+](CC)CC1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000338912235 393803836 /nfs/dbraw/zinc/80/38/36/393803836.db2.gz OPOKVGPIHBNMOS-HOTGVXAUSA-N 2 0 263.429 2.732 20 30 CFEDRP C=CCOc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647499118 395364166 /nfs/dbraw/zinc/36/41/66/395364166.db2.gz ZVFBUGFSQITCIQ-GOEBONIOSA-N 2 0 274.408 2.811 20 30 CFEDRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000350145365 163062136 /nfs/dbraw/zinc/06/21/36/163062136.db2.gz HSVQYCBKYRCKCY-UHFFFAOYSA-N 2 0 275.396 2.705 20 30 CFEDRP C=CC[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(CC)CC2)C1 ZINC000651676919 413562086 /nfs/dbraw/zinc/56/20/86/413562086.db2.gz RRMUGVZIUYPOGY-MSOLQXFVSA-N 2 0 293.499 2.739 20 30 CFEDRP C=CC[C@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(CC)CC2)C1 ZINC000651676922 413559423 /nfs/dbraw/zinc/55/94/23/413559423.db2.gz RRMUGVZIUYPOGY-ZWKOTPCHSA-N 2 0 293.499 2.739 20 30 CFEDRP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000651733325 413597401 /nfs/dbraw/zinc/59/74/01/413597401.db2.gz DOUXGISBXUIADH-SPUZQDLCSA-N 2 0 292.467 2.699 20 30 CFEDRP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000651733323 413599575 /nfs/dbraw/zinc/59/95/75/413599575.db2.gz DOUXGISBXUIADH-BZZMCLGOSA-N 2 0 292.467 2.699 20 30 CFEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](CC[NH+](C)C)OCC)C1 ZINC000651753094 413614113 /nfs/dbraw/zinc/61/41/13/413614113.db2.gz DEGITCVWFKSRIW-PMPSAXMXSA-N 2 0 268.445 2.678 20 30 CFEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000657872646 414015690 /nfs/dbraw/zinc/01/56/90/414015690.db2.gz OQURWTKIPGUEAD-ROUUACIJSA-N 2 0 293.499 2.739 20 30 CFEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000657835715 413987171 /nfs/dbraw/zinc/98/71/71/413987171.db2.gz YGSDNZHTDWPYDE-DLBZAZTESA-N 2 0 293.499 2.737 20 30 CFEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000657835719 413987191 /nfs/dbraw/zinc/98/71/91/413987191.db2.gz YGSDNZHTDWPYDE-IAGOWNOFSA-N 2 0 293.499 2.737 20 30 CFEDRP CCC[N@H+](Cc1ccc(C#N)cc1)C1CC[NH2+]CC1 ZINC000037538930 173259011 /nfs/dbraw/zinc/25/90/11/173259011.db2.gz XXJYIEGTBOGEBV-UHFFFAOYSA-N 2 0 257.381 2.522 20 30 CFEDRP C=CCC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000658117720 414217343 /nfs/dbraw/zinc/21/73/43/414217343.db2.gz ZOPGEPGXXCKPAJ-CQSZACIVSA-N 2 0 262.397 2.854 20 30 CFEDRP C=CCC[C@@H](NC[C@H](O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC000660199114 414679713 /nfs/dbraw/zinc/67/97/13/414679713.db2.gz CQEGUPXDJBVILU-ZWKOTPCHSA-N 2 0 290.451 2.985 20 30 CFEDRP C[NH+](C)CCC1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000174867850 261200907 /nfs/dbraw/zinc/20/09/07/261200907.db2.gz WELSQRGBZITLCA-UHFFFAOYSA-N 2 0 265.445 2.980 20 30 CFEDRP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21 ZINC000371506599 261269256 /nfs/dbraw/zinc/26/92/56/261269256.db2.gz SVJBSCGIDBHAMU-VQHPVUNQSA-N 2 0 293.455 2.548 20 30 CFEDRP C#CCCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309713596 262005613 /nfs/dbraw/zinc/00/56/13/262005613.db2.gz KZCVPOOMZGGWBF-FUHWJXTLSA-N 2 0 270.420 2.900 20 30 CFEDRP CC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[NH+](CC)CC ZINC000264144751 262880271 /nfs/dbraw/zinc/88/02/71/262880271.db2.gz XOSQARXYIKBDRI-CQSZACIVSA-N 2 0 290.455 2.731 20 30 CFEDRP C[C@H]([NH2+]C(C)(C)CNC(=[NH2+])N(C)C1CC1)c1ccccc1 ZINC000273349134 263015760 /nfs/dbraw/zinc/01/57/60/263015760.db2.gz PQAZYEFRDDKAPK-ZDUSSCGKSA-N 2 0 288.439 2.525 20 30 CFEDRP C[C@@H]([NH2+]C(C)(C)CNC(=[NH2+])N(C)C1CC1)c1ccccc1 ZINC000273349130 263015872 /nfs/dbraw/zinc/01/58/72/263015872.db2.gz PQAZYEFRDDKAPK-CYBMUJFWSA-N 2 0 288.439 2.525 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000414843475 263058162 /nfs/dbraw/zinc/05/81/62/263058162.db2.gz CBEJOVAPKQIOPZ-GOEBONIOSA-N 2 0 274.408 2.729 20 30 CFEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288720729 263105684 /nfs/dbraw/zinc/10/56/84/263105684.db2.gz LZUSJGOAJPUUNH-LBPRGKRZSA-N 2 0 296.365 2.566 20 30 CFEDRP N#CC[C@@H]1CC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000297545814 263206235 /nfs/dbraw/zinc/20/62/35/263206235.db2.gz ZCNGOSHHLNIKKV-HOCLYGCPSA-N 2 0 284.407 2.722 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000415050069 263255620 /nfs/dbraw/zinc/25/56/20/263255620.db2.gz BACDIZHODZKJHG-AWEZNQCLSA-N 2 0 262.397 2.859 20 30 CFEDRP C=CCOc1ccccc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415102521 263273893 /nfs/dbraw/zinc/27/38/93/263273893.db2.gz CKGMRAAHJITPGC-GOEBONIOSA-N 2 0 274.408 2.668 20 30 CFEDRP CC(C)(CCC#N)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000369538212 267248513 /nfs/dbraw/zinc/24/85/13/267248513.db2.gz YBFYGIKSNJRTPH-UHFFFAOYSA-N 2 0 263.429 2.923 20 30 CFEDRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000423486371 278258759 /nfs/dbraw/zinc/25/87/59/278258759.db2.gz SLMBXQFIRUVQJR-BBRMVZONSA-N 2 0 257.381 2.741 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C#N)cc1 ZINC000251696059 278274765 /nfs/dbraw/zinc/27/47/65/278274765.db2.gz MIXXAZJEXKAFNX-XKQJLSEDSA-N 2 0 269.392 2.836 20 30 CFEDRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000423486372 278346358 /nfs/dbraw/zinc/34/63/58/278346358.db2.gz SLMBXQFIRUVQJR-CJNGLKHVSA-N 2 0 257.381 2.741 20 30 CFEDRP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(C#N)cc1 ZINC000423379876 280973693 /nfs/dbraw/zinc/97/36/93/280973693.db2.gz YBXVCQWYVSBMLA-JYJNAYRXSA-N 2 0 257.381 2.869 20 30 CFEDRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(C#N)cc1Cl ZINC000562956086 290085150 /nfs/dbraw/zinc/08/51/50/290085150.db2.gz CTHYMDXYTJTNSD-NSHDSACASA-N 2 0 277.799 2.862 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@@H](C)CC[NH3+])cc1Cl ZINC000414880862 328248670 /nfs/dbraw/zinc/24/86/70/328248670.db2.gz KJENSYZZRGYOED-NSHDSACASA-N 2 0 268.788 2.732 20 30 CFEDRP C=CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414926913 328270407 /nfs/dbraw/zinc/27/04/07/328270407.db2.gz OFAKBLXKBWMNDF-LSDHHAIUSA-N 2 0 260.381 2.611 20 30 CFEDRP CCC[NH+]1CCC(C[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000177696545 323701399 /nfs/dbraw/zinc/70/13/99/323701399.db2.gz JMZLTJYXXSQWRY-UHFFFAOYSA-N 2 0 277.437 2.831 20 30 CFEDRP C[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)C[NH+]1CCCCC1 ZINC000185788479 329331704 /nfs/dbraw/zinc/33/17/04/329331704.db2.gz UHEBXRXEWBCSMS-PMPSAXMXSA-N 2 0 263.429 2.780 20 30 CFEDRP N#Cc1ccccc1CSCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000582072631 325174338 /nfs/dbraw/zinc/17/43/38/325174338.db2.gz BPEJMEQSJQJCAN-CVEARBPZSA-N 2 0 289.448 2.651 20 30 CFEDRP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1ccc(C#N)cc1 ZINC000582705521 325226894 /nfs/dbraw/zinc/22/68/94/325226894.db2.gz MZYLZKIGFWEYKQ-RDJZCZTQSA-N 2 0 271.408 2.941 20 30 CFEDRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000582854311 325240286 /nfs/dbraw/zinc/24/02/86/325240286.db2.gz XBTWGWOXINPPOG-UHFFFAOYSA-N 2 0 286.423 2.505 20 30 CFEDRP C[N@H+](C[C@@H]1CCC[NH+](C)C1)CC(C)(C)CCC#N ZINC000092253993 327191201 /nfs/dbraw/zinc/19/12/01/327191201.db2.gz FYBMJAQGNBBBEG-CQSZACIVSA-N 2 0 251.418 2.590 20 30 CFEDRP C=CCCC[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361532584 328925985 /nfs/dbraw/zinc/92/59/85/328925985.db2.gz YFCBYGUYIWUIFI-OAHLLOKOSA-N 2 0 289.423 2.957 20 30 CFEDRP C#CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000377647168 329022792 /nfs/dbraw/zinc/02/27/92/329022792.db2.gz LVXQSSLLKTUUND-QZTJIDSGSA-N 2 0 298.430 2.805 20 30 CFEDRP CC#CCN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000582730880 329132318 /nfs/dbraw/zinc/13/23/18/329132318.db2.gz NTVAUBDFNFORNY-HNNXBMFYSA-N 2 0 276.449 2.834 20 30 CFEDRP C=C(C)CN1CCC([NH2+][C@H]2C[C@H](OCC)C23CCC3)CC1 ZINC000181717750 329235897 /nfs/dbraw/zinc/23/58/97/329235897.db2.gz HPJUKOUYNXAFJG-IRXDYDNUSA-N 2 0 292.467 2.964 20 30 CFEDRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185760201 329331171 /nfs/dbraw/zinc/33/11/71/329331171.db2.gz QBWIYNILTVIJAA-SJORKVTESA-N 2 0 271.408 2.920 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423097915 330169940 /nfs/dbraw/zinc/16/99/40/330169940.db2.gz BRCJLYRWCTVJBN-YOEHRIQHSA-N 2 0 274.408 2.729 20 30 CFEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423102522 330170074 /nfs/dbraw/zinc/17/00/74/330170074.db2.gz WYMXDTRYDIZUMI-NCOADZHNSA-N 2 0 280.456 2.868 20 30 CFEDRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)CCC#N ZINC000423119123 330171164 /nfs/dbraw/zinc/17/11/64/330171164.db2.gz DHMFHGKFQMHCMR-ZBFHGGJFSA-N 2 0 273.424 2.864 20 30 CFEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423151524 330172749 /nfs/dbraw/zinc/17/27/49/330172749.db2.gz CNQVQOWWSONZJU-FIDHJVLJSA-N 2 0 275.440 2.969 20 30 CFEDRP CC(C)(CC#N)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423171628 330174558 /nfs/dbraw/zinc/17/45/58/330174558.db2.gz PGWPXQKDRSNFQX-MAUKXSAKSA-N 2 0 299.418 2.772 20 30 CFEDRP N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2CCC[NH2+]2)CC1 ZINC000423229241 330180854 /nfs/dbraw/zinc/18/08/54/330180854.db2.gz ALAOHCZDYBSPOO-LXPRWKDFSA-N 2 0 283.419 2.732 20 30 CFEDRP N#CC1(c2ccccc2)CCC([NH2+]CC2=CC[NH2+]CC2)CC1 ZINC000423343949 330192380 /nfs/dbraw/zinc/19/23/80/330192380.db2.gz MJHDWICHHALSMW-UHFFFAOYSA-N 2 0 295.430 2.900 20 30 CFEDRP CC#CCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000381990513 336079897 /nfs/dbraw/zinc/07/98/97/336079897.db2.gz OYZOTJGHAZQAHK-MOPGFXCFSA-N 2 0 282.431 2.854 20 30 CFEDRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)ccc1C#N ZINC000423120028 533897515 /nfs/dbraw/zinc/89/75/15/533897515.db2.gz FQSCUFYHXOWWPE-BRWVUGGUSA-N 2 0 299.418 2.577 20 30 CFEDRP CC(C)(C#N)CC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000347069957 527467811 /nfs/dbraw/zinc/46/78/11/527467811.db2.gz CPHNNMKYRPTYJS-QZTJIDSGSA-N 2 0 297.446 2.990 20 30 CFEDRP C(#CC[N@@H+]1CCC[C@@H]1C1CC1)C[NH+]1CCC[C@@H]1C1CC1 ZINC000671240707 545559053 /nfs/dbraw/zinc/55/90/53/545559053.db2.gz LZZAXMDYQPDPQT-QZTJIDSGSA-N 2 0 272.436 2.739 20 30 CFEDRP CC[N@@H+]1CC[C@H](N(C)Cc2csc(C#N)c2)[C@H](C)C1 ZINC000892105140 617952732 /nfs/dbraw/zinc/95/27/32/617952732.db2.gz JCBFBRMZLCLFNQ-DOMZBBRYSA-N 2 0 277.437 2.782 20 30 CFEDRP C=CCOc1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000051693145 618049794 /nfs/dbraw/zinc/04/97/94/618049794.db2.gz BUVYJNUCNMPTBM-UHFFFAOYSA-N 2 0 260.381 2.611 20 30 CFEDRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000924862554 618329024 /nfs/dbraw/zinc/32/90/24/618329024.db2.gz RXVBJOYZZOVCDU-ZIAGYGMSSA-N 2 0 251.418 2.636 20 30 CFEDRP CC(C)(CCC#N)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925671391 618442078 /nfs/dbraw/zinc/44/20/78/618442078.db2.gz DBTHTSIBIDYNON-CHWSQXEVSA-N 2 0 251.418 2.812 20 30 CFEDRP C[NH+]1CCC(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)CC1 ZINC000895215939 618480323 /nfs/dbraw/zinc/48/03/23/618480323.db2.gz SZLBQSCOXKNVDY-UHFFFAOYSA-N 2 0 283.419 2.869 20 30 CFEDRP C=CC[C@@H](CO)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925696051 618948200 /nfs/dbraw/zinc/94/82/00/618948200.db2.gz JDOCOJHOPBGQLL-GDBMZVCRSA-N 2 0 276.424 2.583 20 30 CFEDRP CC1(C)[C@@H]([NH2+]Cc2ccc(CC#N)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925708360 618962884 /nfs/dbraw/zinc/96/28/84/618962884.db2.gz RPXJCQOFUDHJPW-IKGGRYGDSA-N 2 0 283.419 2.619 20 30 CFEDRP C[C@H]1C[N@H+](CC(C)(C)CCC#N)CCN1c1cc[nH+]cc1 ZINC000895557445 619554787 /nfs/dbraw/zinc/55/47/87/619554787.db2.gz QQAVHKYIIXBGFA-HNNXBMFYSA-N 2 0 286.423 2.922 20 30 CFEDRP CC[C@@H](C)NC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000303253879 619977175 /nfs/dbraw/zinc/97/71/75/619977175.db2.gz DFADUTVSSLSOPC-CABCVRRESA-N 2 0 282.476 2.590 20 30 CFEDRP CCc1ccc(NC(=[NH2+])NCC(C)(C)C[NH+](C)C)cc1 ZINC000303721085 619981212 /nfs/dbraw/zinc/98/12/12/619981212.db2.gz XAPMLYJNXDNREH-UHFFFAOYSA-N 2 0 276.428 2.563 20 30 CFEDRP C[C@H]1CCCC[N@@H+]1CCCNC(=[NH2+])NC1CCCCCC1 ZINC000305744565 619992094 /nfs/dbraw/zinc/99/20/94/619992094.db2.gz LZOHYLRWQAJNRT-HNNXBMFYSA-N 2 0 294.487 2.878 20 30 CFEDRP CC(C)[C@H](CNC(=[NH2+])NC1CCCCCC1)[NH+]1CCCC1 ZINC000305747164 619992115 /nfs/dbraw/zinc/99/21/15/619992115.db2.gz RWJGGQVWBYMZSA-INIZCTEOSA-N 2 0 294.487 2.734 20 30 CFEDRP CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000902794110 621178469 /nfs/dbraw/zinc/17/84/69/621178469.db2.gz SXMROEZTKOTZOW-QGZVFWFLSA-N 2 0 271.408 2.941 20 30 CFEDRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cc(C#N)ccn1 ZINC000902999673 621224989 /nfs/dbraw/zinc/22/49/89/621224989.db2.gz DIGPUJIENDSJMV-OAHLLOKOSA-N 2 0 286.423 2.870 20 30 CFEDRP CC[NH2+]CC1CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000903424694 621380115 /nfs/dbraw/zinc/38/01/15/621380115.db2.gz BUFWKMITYYKZBB-UHFFFAOYSA-N 2 0 263.429 2.638 20 30 CFEDRP C[C@@H]1CC2(C[N@@H+]1CC1CCC(C#N)CC1)CC[NH2+]CC2 ZINC000903459899 621381421 /nfs/dbraw/zinc/38/14/21/621381421.db2.gz QBYNLWHTQNHNER-QQFBHYJXSA-N 2 0 275.440 2.780 20 30 CFEDRP C[C@@H]1C[C@H](C)[N@H+](CC2CCC(C#N)CC2)C[C@@H]1C[NH3+] ZINC000903459955 621381511 /nfs/dbraw/zinc/38/15/11/621381511.db2.gz RXUWFMDVPHXYDQ-HRMROMONSA-N 2 0 263.429 2.622 20 30 CFEDRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000903716759 621424662 /nfs/dbraw/zinc/42/46/62/621424662.db2.gz RUDOULNZZBIXJR-CABCVRRESA-N 2 0 263.429 2.910 20 30 CFEDRP C[NH2+]CC1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000903716590 621424695 /nfs/dbraw/zinc/42/46/95/621424695.db2.gz PWSQCGIRGAFZGV-UHFFFAOYSA-N 2 0 263.429 2.782 20 30 CFEDRP N#CC1(CCCC[N@H+]2CCC[C@@H](CC[NH3+])C2)CCC1 ZINC000903746076 621431843 /nfs/dbraw/zinc/43/18/43/621431843.db2.gz DMZIPQVCJMWGAY-HNNXBMFYSA-N 2 0 263.429 2.911 20 30 CFEDRP C=CCCCCC[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903735442 621434230 /nfs/dbraw/zinc/43/42/30/621434230.db2.gz ZZHFJJJMTCGOMJ-MRXNPFEDSA-N 2 0 280.456 2.823 20 30 CFEDRP CCCCCCC[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903816265 621443226 /nfs/dbraw/zinc/44/32/26/621443226.db2.gz XMGUQIRRTXFJHR-UHFFFAOYSA-N 2 0 268.445 2.801 20 30 CFEDRP C=CCOc1cccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000904412307 621593050 /nfs/dbraw/zinc/59/30/50/621593050.db2.gz RWTQSKYFFXNWBC-GOEBONIOSA-N 2 0 274.408 2.668 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000157652614 623044228 /nfs/dbraw/zinc/04/42/28/623044228.db2.gz FJMUWJRUXQCEHG-OFQRWUPVSA-N 2 0 287.407 2.722 20 30 CFEDRP C#CCOc1ccccc1CNC[C@@H]1CCC[N@@H+](CC)C1 ZINC000063917642 623403863 /nfs/dbraw/zinc/40/38/63/623403863.db2.gz KFKWQSJDCJQJER-INIZCTEOSA-N 2 0 286.419 2.520 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000929623515 623495097 /nfs/dbraw/zinc/49/50/97/623495097.db2.gz XZJCVYVPGDVURN-UHFFFAOYSA-N 2 0 285.435 2.949 20 30 CFEDRP C=CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C(C)C ZINC000824581450 623528777 /nfs/dbraw/zinc/52/87/77/623528777.db2.gz RYDAUQRPOYAFMB-UHFFFAOYSA-N 2 0 256.353 2.664 20 30 CFEDRP C[N@@H+]1CCC[C@@H]2C[NH+](CC3CCC(C#N)CC3)CC[C@@H]21 ZINC000929849363 623939283 /nfs/dbraw/zinc/93/92/83/623939283.db2.gz XMGYOGLBWHHRGT-BACDZXNISA-N 2 0 275.440 2.732 20 30 CFEDRP CCO[NH+]=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000915958006 624192075 /nfs/dbraw/zinc/19/20/75/624192075.db2.gz HOPCUDKAUKCXRY-UHFFFAOYSA-N 2 0 275.396 2.587 20 30 CFEDRP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000834887975 625910408 /nfs/dbraw/zinc/91/04/08/625910408.db2.gz BFIUJHOLTBNDDR-OTWHNJEPSA-N 2 0 298.430 2.661 20 30 CFEDRP C#Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000834902951 625916793 /nfs/dbraw/zinc/91/67/93/625916793.db2.gz MAOGNAWKMPIMGH-KZNAEPCWSA-N 2 0 268.404 2.630 20 30 CFEDRP CC(C)(C)CC(C)(C)[NH+]1CCC(=[NH+]n2cnnc2)CC1 ZINC000834913260 625920546 /nfs/dbraw/zinc/92/05/46/625920546.db2.gz WEOQHTYLYNJZHB-UHFFFAOYSA-N 2 0 277.416 2.793 20 30 CFEDRP C#C[C@@H](C)[NH+](C)Cc1cccc(C[N@@H+](C)[C@H](C)C#C)c1 ZINC000769961292 625933752 /nfs/dbraw/zinc/93/37/52/625933752.db2.gz QKXWCMDAHANOPS-HZPDHXFCSA-N 2 0 268.404 2.594 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000921620834 625998503 /nfs/dbraw/zinc/99/85/03/625998503.db2.gz VGPGJOOEUXCZNI-INIZCTEOSA-N 2 0 285.435 2.995 20 30 CFEDRP CC[NH+]1CCC(C[NH2+]Cc2c(C)cc(C#N)cc2C)CC1 ZINC000921685850 626076505 /nfs/dbraw/zinc/07/65/05/626076505.db2.gz AZQVYXMTTWCXDN-UHFFFAOYSA-N 2 0 285.435 2.997 20 30 CFEDRP C[NH+](C)CC1CCC([NH2+]Cc2csc(C#N)c2)CC1 ZINC000921920113 626178222 /nfs/dbraw/zinc/17/82/22/626178222.db2.gz GHZZCMMNIWKLGJ-UHFFFAOYSA-N 2 0 277.437 2.830 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000922181426 626232820 /nfs/dbraw/zinc/23/28/20/626232820.db2.gz QMLFFIBBMCXXGG-MRXNPFEDSA-N 2 0 285.435 2.997 20 30 CFEDRP CC1([NH+]2CCC2)CCC([NH2+]Cc2nc(C#N)cs2)CC1 ZINC000922846407 626379676 /nfs/dbraw/zinc/37/96/76/626379676.db2.gz ZVFVWTIHIONQLH-UHFFFAOYSA-N 2 0 290.436 2.511 20 30 CFEDRP C[C@H]1C[N@H+](Cc2cc(Cl)cc(C#N)c2)CC[C@H]1C[NH3+] ZINC000923491954 626476813 /nfs/dbraw/zinc/47/68/13/626476813.db2.gz KVWYJTFHWZOYRT-FZMZJTMJSA-N 2 0 277.799 2.628 20 30 CFEDRP C#CCOc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000839181134 626529887 /nfs/dbraw/zinc/52/98/87/626529887.db2.gz GQOUISMOGHPDFF-KRWDZBQOSA-N 2 0 286.419 2.520 20 30 CFEDRP C#CC[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000839578425 626547067 /nfs/dbraw/zinc/54/70/67/626547067.db2.gz LOBVKWVUJWRUDU-UHFFFAOYSA-N 2 0 256.393 2.738 20 30 CFEDRP C#CCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000760843837 626777141 /nfs/dbraw/zinc/77/71/41/626777141.db2.gz QKWKZDZKKUELPF-LJQANCHMSA-N 2 0 282.431 2.998 20 30 CFEDRP C#CCOCC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000851812155 634544622 /nfs/dbraw/zinc/54/46/22/634544622.db2.gz GNMDBKZPPWMTNZ-QGZVFWFLSA-N 2 0 292.467 2.613 20 30 CFEDRP C=C[C@@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000787307947 629005852 /nfs/dbraw/zinc/00/58/52/629005852.db2.gz AQYCBTJLECARKU-GOSISDBHSA-N 2 0 299.462 2.979 20 30 CFEDRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(OCC#N)cc1 ZINC000843344313 631933491 /nfs/dbraw/zinc/93/34/91/631933491.db2.gz VDPADGBTKDNGQS-CQSZACIVSA-N 2 0 295.386 2.898 20 30 CFEDRP N#CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000817918229 632733550 /nfs/dbraw/zinc/73/35/50/632733550.db2.gz KFIQFTIEILZWFI-KZNAEPCWSA-N 2 0 299.418 2.599 20 30 CFEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCC[NH3+])cc1 ZINC000817938643 632743192 /nfs/dbraw/zinc/74/31/92/632743192.db2.gz OUYRMGSYGMBMEO-LBPRGKRZSA-N 2 0 268.788 2.817 20 30 CFEDRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(OCC#N)cc1 ZINC000817980101 632777300 /nfs/dbraw/zinc/77/73/00/632777300.db2.gz IUFJLCYNLFTUIU-GDBMZVCRSA-N 2 0 287.407 2.772 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(OCC#N)cc1 ZINC000817987540 632782201 /nfs/dbraw/zinc/78/22/01/632782201.db2.gz UFAXJOKRALFUFY-QMCVQRASSA-N 2 0 299.418 2.628 20 30 CFEDRP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(OCC#N)cc1 ZINC000817985488 632782246 /nfs/dbraw/zinc/78/22/46/632782246.db2.gz KPZAGOXHGZYIIR-GDBMZVCRSA-N 2 0 299.418 2.914 20 30 CFEDRP C=C(C)CNC(=[NH2+])NCCCCCCC[NH+]1CCCC1 ZINC000848997018 633451966 /nfs/dbraw/zinc/45/19/66/633451966.db2.gz HUYZOGKEJDHHSL-UHFFFAOYSA-N 2 0 280.460 2.723 20 30 CFEDRP CCCCCCCCNC(=[NH2+])NC[C@@H](C)[NH+]1CCCC1 ZINC000849061230 633482226 /nfs/dbraw/zinc/48/22/26/633482226.db2.gz CRJROULSGJJSRY-OAHLLOKOSA-N 2 0 282.476 2.945 20 30 CFEDRP C#CCN(C)CCC[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000850471393 634006862 /nfs/dbraw/zinc/00/68/62/634006862.db2.gz PTVNRBDBZVFSGR-GFCCVEGCSA-N 2 0 281.350 2.625 20 30 CFEDRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000854230523 635265847 /nfs/dbraw/zinc/26/58/47/635265847.db2.gz STRYUYUGFRAOGV-XJKSGUPXSA-N 2 0 275.396 2.613 20 30 CFEDRP C=CC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856597363 635834006 /nfs/dbraw/zinc/83/40/06/635834006.db2.gz HYDBELXBIBAQQH-QGZVFWFLSA-N 2 0 289.423 2.561 20 30 CFEDRP C=CCC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856583537 635834348 /nfs/dbraw/zinc/83/43/48/635834348.db2.gz JDLUHYSBWCKJFZ-QGZVFWFLSA-N 2 0 289.423 2.563 20 30 CFEDRP C#CC[C@H](COC)[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000862548624 637420327 /nfs/dbraw/zinc/42/03/27/637420327.db2.gz JLPBDJHXHPFQAL-JQHSSLGASA-N 2 0 292.467 2.657 20 30 CFEDRP C[C@H]1C[N@H+](Cc2ccccc2)CCC1=Nn1cccn1 ZINC000863166377 637577212 /nfs/dbraw/zinc/57/72/12/637577212.db2.gz ZHMZTJNADREKDP-AWEZNQCLSA-N 2 0 268.364 2.629 20 30 CFEDRP CCCCCCC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000863540289 637688735 /nfs/dbraw/zinc/68/87/35/637688735.db2.gz RWHWYBJBRZDTBD-ARFHVFGLSA-N 2 0 268.445 2.704 20 30 CFEDRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000866516545 638834505 /nfs/dbraw/zinc/83/45/05/638834505.db2.gz BRWWWKJDGLCYBJ-YHNBSYBMSA-N 2 0 263.429 2.921 20 30 CFEDRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000866706418 638868968 /nfs/dbraw/zinc/86/89/68/638868968.db2.gz ICEIZMWHDAYZAJ-SFHVURJKSA-N 2 0 285.435 2.798 20 30 CFEDRP C#C[C@H]1CC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000873198010 642062127 /nfs/dbraw/zinc/06/21/27/642062127.db2.gz MFCWDGQAQWCSJQ-SHTZXODSSA-N 2 0 280.375 2.549 20 30 CFEDRP N#Cc1cccc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)c1 ZINC000873231225 642083589 /nfs/dbraw/zinc/08/35/89/642083589.db2.gz LGFGZZMDVXMLTB-QGZVFWFLSA-N 2 0 283.419 2.960 20 30 CFEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873255206 642101116 /nfs/dbraw/zinc/10/11/16/642101116.db2.gz DPICRLZOXBQNSZ-QRTARXTBSA-N 2 0 269.392 2.653 20 30 CFEDRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C#N)cc1F ZINC000873265780 642109420 /nfs/dbraw/zinc/10/94/20/642109420.db2.gz XQMIBWYGFLIMAD-MHEUCROKSA-N 2 0 287.382 2.879 20 30 CFEDRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C#N)c(F)c1 ZINC000873266029 642109482 /nfs/dbraw/zinc/10/94/82/642109482.db2.gz YWMFEWDTVKGFGN-AVRGHOLYSA-N 2 0 287.382 2.879 20 30 CFEDRP C#CCOc1ccccc1CN(C)C1CC[NH+](CC)CC1 ZINC000125257876 642577912 /nfs/dbraw/zinc/57/79/12/642577912.db2.gz ONIDWYZTXPDPMG-UHFFFAOYSA-N 2 0 286.419 2.615 20 30 CFEDRP C#CCCCCCC[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000876783157 643007950 /nfs/dbraw/zinc/00/79/50/643007950.db2.gz VLEONPIBROAPHE-MRXNPFEDSA-N 2 0 250.430 2.844 20 30 CFEDRP C#CCCCCCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000876811239 643020463 /nfs/dbraw/zinc/02/04/63/643020463.db2.gz JBQACVKVVAMCHQ-FGTMMUONSA-N 2 0 292.467 2.754 20 30 CFEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000877073754 643136410 /nfs/dbraw/zinc/13/64/10/643136410.db2.gz RPMHCQBJZZIENL-OWCLPIDISA-N 2 0 293.455 2.548 20 30 CFEDRP C#CCCCCCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000877477222 643294586 /nfs/dbraw/zinc/29/45/86/643294586.db2.gz AKJZRRYFVHINCH-INIZCTEOSA-N 2 0 250.430 2.986 20 30 CFEDRP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CCN1c1cc[nH+]cc1 ZINC000880259594 644617739 /nfs/dbraw/zinc/61/77/39/644617739.db2.gz WUMYEFDTSYZJIC-OAHLLOKOSA-N 2 0 292.386 2.664 20 30 CFEDRP CCCCCCNC(=[NH2+])NC[C@@H](c1ccccc1)N(C)C ZINC000303719219 650999947 /nfs/dbraw/zinc/99/99/47/650999947.db2.gz VRNRCVCVCCLZDY-INIZCTEOSA-N 2 0 290.455 2.774 20 30 CFEDRP CCCCNC(=[NH2+])NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000303775040 651001795 /nfs/dbraw/zinc/00/17/95/651001795.db2.gz GNFIEUGBHRLTKC-MRXNPFEDSA-N 2 0 288.439 2.528 20 30 CFEDRP CCC(CC)[C@H](CNC(=[NH2+])NCC1CCC1)[NH+]1CCCC1 ZINC000303788333 651002899 /nfs/dbraw/zinc/00/28/99/651002899.db2.gz UFVPHUFRNVVDGR-INIZCTEOSA-N 2 0 294.487 2.591 20 30 CFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCC(C)(C)C ZINC000303983899 651011528 /nfs/dbraw/zinc/01/15/28/651011528.db2.gz RNSMXLNZIKDZRF-CQSZACIVSA-N 2 0 282.476 2.591 20 30 CFEDRP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCO1 ZINC000883171680 645638562 /nfs/dbraw/zinc/63/85/62/645638562.db2.gz FSSYLKIZUVJGHJ-BHYGNILZSA-N 2 0 278.440 2.574 20 30 CFEDRP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCO1 ZINC000883173884 645640025 /nfs/dbraw/zinc/64/00/25/645640025.db2.gz WKFGPXTUNQDHIY-WCXIOVBPSA-N 2 0 278.440 2.717 20 30 CFEDRP C=CCC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@@H]1CCCO1 ZINC000883199842 645659599 /nfs/dbraw/zinc/65/95/99/645659599.db2.gz QJXNTYDWVSPACD-IRXDYDNUSA-N 2 0 280.456 2.963 20 30 CFEDRP C[C@@H]1CCCN(C(=[NH2+])NCCCCC[NH+]2CCCCC2)C1 ZINC000304761864 651033439 /nfs/dbraw/zinc/03/34/39/651033439.db2.gz VAGYRDUOMVRJGK-MRXNPFEDSA-N 2 0 294.487 2.689 20 30 CFEDRP CCCC[N@H+](C)CCNC(=[NH2+])Nc1ccc(CC)cc1 ZINC000304764111 651033826 /nfs/dbraw/zinc/03/38/26/651033826.db2.gz XPTANZDOSOFWAR-UHFFFAOYSA-N 2 0 276.428 2.708 20 30 CFEDRP CC[N@H+](CCNC(=[NH2+])Nc1cc(C)cc(C)c1)C(C)C ZINC000104191559 647556203 /nfs/dbraw/zinc/55/62/03/647556203.db2.gz IVOQYEORENZGGU-UHFFFAOYSA-N 2 0 276.428 2.760 20 30 CFEDRP C=CCSCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925591598 648230291 /nfs/dbraw/zinc/23/02/91/648230291.db2.gz RCDYNIOWZREOHK-CABCVRRESA-N 2 0 268.470 2.664 20 30 CFEDRP N#Cc1ccc(C2([NH2+][C@H]3C[C@H]([NH3+])C34CCC4)CCC2)cc1 ZINC000925710023 648290604 /nfs/dbraw/zinc/29/06/04/648290604.db2.gz BEHBXVOMIJQACQ-HOTGVXAUSA-N 2 0 281.403 2.797 20 30 CFEDRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000925799066 648327239 /nfs/dbraw/zinc/32/72/39/648327239.db2.gz STORTFRQCDFQAQ-QBIMZIAESA-N 2 0 283.419 2.771 20 30 CFEDRP C=CCC[C@H](C)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925817547 648332795 /nfs/dbraw/zinc/33/27/95/648332795.db2.gz QANPILPKNNUXJB-INIZCTEOSA-N 2 0 287.451 2.536 20 30 CFEDRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(OCC#N)cc1 ZINC000925847054 648343049 /nfs/dbraw/zinc/34/30/49/648343049.db2.gz RRVUKFTUHOOOHL-ZTFGCOKTSA-N 2 0 299.418 2.772 20 30 CFEDRP C#C[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)[C@H]1CCCO1 ZINC000926211453 648436066 /nfs/dbraw/zinc/43/60/66/648436066.db2.gz UKRZCTLBKMOYPP-JCGIZDLHSA-N 2 0 286.419 2.580 20 30 CFEDRP C=CCCCC[NH+]1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001209204391 770014254 /nfs/dbraw/zinc/01/42/54/770014254.db2.gz DCAWAKDYUMYDSM-QGZVFWFLSA-N 2 0 280.456 2.918 20 30 CFEDRP C=CCCC[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001209157362 770007931 /nfs/dbraw/zinc/00/79/31/770007931.db2.gz UZJOVLNRVHFMQS-UHFFFAOYSA-N 2 0 280.456 2.777 20 30 CFEDRP C=CCCCCCN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001209433508 770085471 /nfs/dbraw/zinc/08/54/71/770085471.db2.gz ZBFWBEPCTFZIJW-UHFFFAOYSA-N 2 0 293.499 2.692 20 30 CFEDRP C#CCN(C)CCC[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000328259862 775737054 /nfs/dbraw/zinc/73/70/54/775737054.db2.gz LCDBYWHFSQUZRR-KRWDZBQOSA-N 2 0 258.409 2.991 20 30 CFEDRP CC(C)[C@@H](C#N)c1ccc(NC(=[NH2+])NCCCC[NH3+])cc1 ZINC001167881099 776715154 /nfs/dbraw/zinc/71/51/54/776715154.db2.gz DFQBQOHEVCNJLW-OAHLLOKOSA-N 2 0 287.411 2.625 20 30 CFEDRP C[C@H](C[NH2+][C@@H](C)CC(C)(C)C#N)C[NH+]1CCCC1 ZINC000695789264 776848103 /nfs/dbraw/zinc/84/81/03/776848103.db2.gz WPMHPTQNOIQGPA-KGLIPLIRSA-N 2 0 251.418 2.636 20 30 CFEDRP N#Cc1ccccc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235227168 778422038 /nfs/dbraw/zinc/42/20/38/778422038.db2.gz DCZRPMUHNVSEAL-SFHVURJKSA-N 2 0 283.419 2.912 20 30 CFEDRP C[NH+](C)C1CCC([N@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC001168322729 778432072 /nfs/dbraw/zinc/43/20/72/778432072.db2.gz GFAPKYLOSWERFN-UHFFFAOYSA-N 2 0 271.408 2.863 20 30 CFEDRP CCCCCCCC[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001235368115 778470996 /nfs/dbraw/zinc/47/09/96/778470996.db2.gz LOPVAWMXUBUCPD-BRWVUGGUSA-N 2 0 280.456 2.800 20 30 CFEDRP C#Cc1ccc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)cc1 ZINC001235705463 778543809 /nfs/dbraw/zinc/54/38/09/778543809.db2.gz JDLCTVBBJOXVAO-UHFFFAOYSA-N 2 0 282.431 2.880 20 30 CFEDRP C=CCCCC[N@@H+](C)Cc1ccccc1N1CC[NH2+]CC1 ZINC001236084527 778684880 /nfs/dbraw/zinc/68/48/80/778684880.db2.gz BLPBSZROLVRWIT-UHFFFAOYSA-N 2 0 287.451 2.884 20 30 CFEDRP CCCCCCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127082095 778737360 /nfs/dbraw/zinc/73/73/60/778737360.db2.gz KYSXEOVTRFICGI-MRXNPFEDSA-N 2 0 297.487 2.535 20 30 CFEDRP C=CC[N@@H+](CC1(F)CC[NH2+]CC1)C1CCCCC1 ZINC001236433172 778827414 /nfs/dbraw/zinc/82/74/14/778827414.db2.gz GMQLKTJZPQSSGY-UHFFFAOYSA-N 2 0 254.393 2.899 20 30 CFEDRP N#Cc1cccc(CCC[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237379752 779085862 /nfs/dbraw/zinc/08/58/62/779085862.db2.gz CWRYXZJVFGNQFA-ROUUACIJSA-N 2 0 283.419 2.565 20 30 CFEDRP N#Cc1ccc(CCC[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237381220 779087777 /nfs/dbraw/zinc/08/77/77/779087777.db2.gz IHXLNLDESSXBBG-MSOLQXFVSA-N 2 0 283.419 2.565 20 30 CFEDRP C=CCOc1cccc(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237405126 779098613 /nfs/dbraw/zinc/09/86/13/779098613.db2.gz PRYXMGFKLDDCGY-FUHWJXTLSA-N 2 0 286.419 2.825 20 30 CFEDRP C=CCOc1cccc(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237405127 779098777 /nfs/dbraw/zinc/09/87/77/779098777.db2.gz PRYXMGFKLDDCGY-SJLPKXTDSA-N 2 0 286.419 2.825 20 30 CFEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCCC3(C[NH2+]C3)C2)CC1 ZINC001235712114 779369504 /nfs/dbraw/zinc/36/95/04/779369504.db2.gz ZRUKTTCSDTXITI-MRXNPFEDSA-N 2 0 260.425 2.974 20 30 CFEDRP CCc1cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)ccc1C#N ZINC001238770160 779388384 /nfs/dbraw/zinc/38/83/84/779388384.db2.gz YOYNITJZWJRSNQ-UHFFFAOYSA-N 2 0 283.419 2.648 20 30 CFEDRP N#Cc1cc(-c2ccc3c[nH+]cn3c2)cc(C2C[NH2+]C2)c1 ZINC001240346020 780097257 /nfs/dbraw/zinc/09/72/57/780097257.db2.gz YPFAKFHLEQZYJE-UHFFFAOYSA-N 2 0 274.327 2.560 20 30 CFEDRP N#Cc1ccc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)cn1 ZINC001241434367 780881113 /nfs/dbraw/zinc/88/11/13/780881113.db2.gz PJRATMYZFFCZDU-UHFFFAOYSA-N 2 0 292.386 2.543 20 30 CFEDRP Cc1ccc(C[N@H+](C)CCCCCC[NH3+])cc1C#N ZINC000710819299 781340883 /nfs/dbraw/zinc/34/08/83/781340883.db2.gz OUUVSKCKFCGXBQ-UHFFFAOYSA-N 2 0 259.397 2.818 20 30 CFEDRP N#CCC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000594583046 349451485 /nfs/dbraw/zinc/45/14/85/349451485.db2.gz RWEJVBSFAAILLE-XHSDSOJGSA-N 2 0 257.381 2.891 20 30 CFEDRP CC(C)(C)N1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000594956553 349528667 /nfs/dbraw/zinc/52/86/67/349528667.db2.gz LHWZJMOVNVCYKM-BBBYJDLNSA-N 2 0 263.429 2.921 20 30 CFEDRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2ccc(C#N)cc2)C1 ZINC000595334719 349604537 /nfs/dbraw/zinc/60/45/37/349604537.db2.gz ZYCKIOAVGZSXGA-IBGZPJMESA-N 2 0 297.446 2.764 20 30 CFEDRP C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1CCC[NH3+] ZINC000595904583 349765351 /nfs/dbraw/zinc/76/53/51/349765351.db2.gz HVUKWMGUSOYWHV-RHSMWYFYSA-N 2 0 271.408 2.898 20 30 CFEDRP N#Cc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000595900824 349765631 /nfs/dbraw/zinc/76/56/31/349765631.db2.gz MOKSKGRGUQZNDU-GOSISDBHSA-N 2 0 283.419 2.770 20 30 CFEDRP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000596095393 349793860 /nfs/dbraw/zinc/79/38/60/349793860.db2.gz PZITXJMYVAOTPA-IKGGRYGDSA-N 2 0 275.440 2.780 20 30 CFEDRP N#CCCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045944259 346417025 /nfs/dbraw/zinc/41/70/25/346417025.db2.gz QEMLKGNVTOAHMJ-UHFFFAOYSA-N 2 0 263.429 2.878 20 30 CFEDRP C=CCCSCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000596652384 349968920 /nfs/dbraw/zinc/96/89/20/349968920.db2.gz TTWIQTGUYMBELI-RBSFLKMASA-N 2 0 268.470 2.806 20 30 CFEDRP CC[NH+]1CCC(C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000135174546 347904990 /nfs/dbraw/zinc/90/49/90/347904990.db2.gz JBTAFJLDOOGLGP-UHFFFAOYSA-N 2 0 251.418 2.638 20 30 CFEDRP C[C@@H](NC[C@H](C)C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309743299 348407510 /nfs/dbraw/zinc/40/75/10/348407510.db2.gz WSKHDMDQLOBBAF-BFYDXBDKSA-N 2 0 271.408 2.646 20 30 CFEDRP C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1CC[NH3+] ZINC000404381770 348591228 /nfs/dbraw/zinc/59/12/28/348591228.db2.gz MRBYJACNOAXUPK-XJKSGUPXSA-N 2 0 257.381 2.508 20 30 CFEDRP C=CCCC[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000091592200 539663461 /nfs/dbraw/zinc/66/34/61/539663461.db2.gz VAECROBESZSZSA-OAHLLOKOSA-N 2 0 259.397 2.948 20 30 CFEDRP CCCN(CC)C[C@@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000589350944 348829469 /nfs/dbraw/zinc/82/94/69/348829469.db2.gz CGWOBEFAIGSEBW-ILXRZTDVSA-N 2 0 251.418 2.779 20 30 CFEDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591573432 349031189 /nfs/dbraw/zinc/03/11/89/349031189.db2.gz WXKIRFBPSNGRQH-ABAIWWIYSA-N 2 0 277.799 2.689 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000591578390 349031569 /nfs/dbraw/zinc/03/15/69/349031569.db2.gz YPAUMUOCTJDMTH-ZOBUZTSGSA-N 2 0 269.392 2.795 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000591578289 349031870 /nfs/dbraw/zinc/03/18/70/349031870.db2.gz MLPCZDMFKPSZNJ-RDJZCZTQSA-N 2 0 269.392 2.667 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000591582512 349032440 /nfs/dbraw/zinc/03/24/40/349032440.db2.gz VPJDOKLJRMVQAZ-QRTARXTBSA-N 2 0 269.392 2.653 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000090720510 180030385 /nfs/dbraw/zinc/03/03/85/180030385.db2.gz KXXGQHSCNPEDRQ-ZBFHGGJFSA-N 2 0 274.408 2.824 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CCC#N)CC1(C)C ZINC000598975105 350352414 /nfs/dbraw/zinc/35/24/14/350352414.db2.gz XTQHQOBFSVAINT-ZDUSSCGKSA-N 2 0 251.418 2.779 20 30 CFEDRP Cc1ccc(C[N@H+]2CC[C@H](c3nccn3C)C2)cc1C#N ZINC000599338541 350417361 /nfs/dbraw/zinc/41/73/61/350417361.db2.gz CWOMZZYAKBEQOJ-HNNXBMFYSA-N 2 0 280.375 2.590 20 30 CFEDRP CCN(Cc1ccc(C[NH+](C)C)cc1)CC1(C#N)CC1 ZINC000599659147 350475246 /nfs/dbraw/zinc/47/52/46/350475246.db2.gz DCFDLZBVBQHVKE-UHFFFAOYSA-N 2 0 271.408 2.874 20 30 CFEDRP CC(C)[NH+]1CCC([NH2+][C@@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602502673 350907367 /nfs/dbraw/zinc/90/73/67/350907367.db2.gz MVHSTZDGAJONDX-HNNXBMFYSA-N 2 0 293.455 2.548 20 30 CFEDRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602509888 350909789 /nfs/dbraw/zinc/90/97/89/350909789.db2.gz HIKISENPVUKQBA-AWEZNQCLSA-N 2 0 251.418 2.636 20 30 CFEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602584860 350935465 /nfs/dbraw/zinc/93/54/65/350935465.db2.gz BWEVNAMHRLGQBU-CQSZACIVSA-N 2 0 274.412 2.553 20 30 CFEDRP C[C@H](CCC#N)C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000602715926 350997125 /nfs/dbraw/zinc/99/71/25/350997125.db2.gz QARKACLAYAJDIB-ZBFHGGJFSA-N 2 0 263.429 2.638 20 30 CFEDRP C[C@H](CCC#N)C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000602609072 350944640 /nfs/dbraw/zinc/94/46/40/350944640.db2.gz QSUVGKOIZRPQKH-CABCVRRESA-N 2 0 251.418 2.780 20 30 CFEDRP CC(C)[N@H+](C)CC1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602773349 351020372 /nfs/dbraw/zinc/02/03/72/351020372.db2.gz OSFHLGUPALLKBY-UHFFFAOYSA-N 2 0 263.429 2.732 20 30 CFEDRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611392894 351680410 /nfs/dbraw/zinc/68/04/10/351680410.db2.gz UCLQVXWFEKZAHE-QAPCUYQASA-N 2 0 283.419 2.867 20 30 CFEDRP C[C@H]1C[C@H](N(C)Cc2ccc(C#N)cc2F)CC[N@@H+]1C ZINC000123841521 187111154 /nfs/dbraw/zinc/11/11/54/187111154.db2.gz OAGDRJRAXRBSQO-SWLSCSKDSA-N 2 0 275.371 2.612 20 30 CFEDRP C[NH+](C)CCC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000156298202 188253630 /nfs/dbraw/zinc/25/36/30/188253630.db2.gz CFADXQBBTYVNCL-UHFFFAOYSA-N 2 0 288.410 2.841 20 30 CFEDRP N#Cc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423098782 238199273 /nfs/dbraw/zinc/19/92/73/238199273.db2.gz LKVOTEFRFIYCAT-KZNAEPCWSA-N 2 0 283.419 2.611 20 30 CFEDRP N#Cc1cccc(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000423097215 238199893 /nfs/dbraw/zinc/19/98/93/238199893.db2.gz JEHSHLKUQSDUET-ZWKOTPCHSA-N 2 0 277.371 2.835 20 30 CFEDRP C=CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414908280 540830425 /nfs/dbraw/zinc/83/04/25/540830425.db2.gz BEXWPPKUZNDGTK-LSDHHAIUSA-N 2 0 260.381 2.611 20 30 CFEDRP C=CCCC[C@H](C)[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000574336254 335011469 /nfs/dbraw/zinc/01/14/69/335011469.db2.gz BEWCJDKKWPWEME-HNNXBMFYSA-N 2 0 268.445 2.556 20 30 CFEDRP CCCC[N@H+](C)CC1CC[NH+](CCCC#N)CC1 ZINC000052209652 373441558 /nfs/dbraw/zinc/44/15/58/373441558.db2.gz ZRADFCSSIFERLB-UHFFFAOYSA-N 2 0 251.418 2.734 20 30 CFEDRP Cc1cc(C)cc(NC(=[NH2+])NCCC2CC[NH+](C)CC2)c1 ZINC000264125936 383698264 /nfs/dbraw/zinc/69/82/64/383698264.db2.gz WIRKGTPSYFHWSV-UHFFFAOYSA-N 2 0 288.439 2.762 20 30 CFEDRP C[N@H+](C[C@H]1CCC[NH+](C)C1)CC(C)(C)CCC#N ZINC000092253994 375100537 /nfs/dbraw/zinc/10/05/37/375100537.db2.gz FYBMJAQGNBBBEG-AWEZNQCLSA-N 2 0 251.418 2.590 20 30 CFEDRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(C#N)c1 ZINC000093515679 375261666 /nfs/dbraw/zinc/26/16/66/375261666.db2.gz MGEQQNUGKYCFMB-WMLDXEAASA-N 2 0 271.408 2.959 20 30 CFEDRP Cn1ccnc1CC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000105875682 375792032 /nfs/dbraw/zinc/79/20/32/375792032.db2.gz QPKPVRMQBAOREZ-UHFFFAOYSA-N 2 0 294.402 2.746 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(C)(C)C#N)[C@H](C)C1 ZINC000119684550 376451450 /nfs/dbraw/zinc/45/14/50/376451450.db2.gz QJJDSBVWGZCSOL-KGLIPLIRSA-N 2 0 251.418 2.588 20 30 CFEDRP CN(CC#Cc1ccc(F)cc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000153833383 378514458 /nfs/dbraw/zinc/51/44/58/378514458.db2.gz AJECAWYQXUYRPC-SFHVURJKSA-N 2 0 288.410 2.983 20 30 CFEDRP CC#CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000155398754 378625796 /nfs/dbraw/zinc/62/57/96/378625796.db2.gz ZKHYQQIMNPSLNR-KRWDZBQOSA-N 2 0 262.441 2.988 20 30 CFEDRP CCN1CCCC[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000174377171 379873044 /nfs/dbraw/zinc/87/30/44/379873044.db2.gz UHRMMTBNNCZHMB-CQSZACIVSA-N 2 0 251.418 2.780 20 30 CFEDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000175012536 379980258 /nfs/dbraw/zinc/98/02/58/379980258.db2.gz DLGFZBMIRXORSE-JKSUJKDBSA-N 2 0 257.381 2.521 20 30 CFEDRP CC(C)[NH+]1CCC([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000336219640 380289966 /nfs/dbraw/zinc/28/99/66/380289966.db2.gz OWQKFYGJBYMJBE-UHFFFAOYSA-N 2 0 263.429 2.921 20 30 CFEDRP C[N@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000354100441 381078899 /nfs/dbraw/zinc/07/88/99/381078899.db2.gz MNWGZSKEVRKGQD-CQSZACIVSA-N 2 0 289.448 2.783 20 30 CFEDRP C=CCOCCC[N@@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000348113828 381464836 /nfs/dbraw/zinc/46/48/36/381464836.db2.gz GVZSWGNNMRYTBV-HNNXBMFYSA-N 2 0 289.423 2.601 20 30 CFEDRP C=C(C)C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348332394 381512273 /nfs/dbraw/zinc/51/22/73/381512273.db2.gz TXZFZDLNYOFOQS-CALCHBBNSA-N 2 0 256.393 2.626 20 30 CFEDRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCCC#N ZINC000348309303 381496784 /nfs/dbraw/zinc/49/67/84/381496784.db2.gz FQWMZBKGWBGPJD-CABCVRRESA-N 2 0 251.418 2.780 20 30 CFEDRP CCCCCCC[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371427125 381624221 /nfs/dbraw/zinc/62/42/21/381624221.db2.gz SYWJZYMWNZHEII-GOSISDBHSA-N 2 0 295.515 2.916 20 30 CFEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CC[N@H+](C)C[C@H]1C)C(C)C ZINC000360036986 381743520 /nfs/dbraw/zinc/74/35/20/381743520.db2.gz ICEACAKMFIDFCI-KZNAEPCWSA-N 2 0 293.499 2.615 20 30 CFEDRP C[NH+](C)[C@H]1CCC[N@H+](CC(C)(C)CCC#N)CC1 ZINC000373017200 381908658 /nfs/dbraw/zinc/90/86/58/381908658.db2.gz ZMJURNXOPWYGHA-AWEZNQCLSA-N 2 0 251.418 2.732 20 30 CFEDRP N#Cc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)s1 ZINC000293043755 381964530 /nfs/dbraw/zinc/96/45/30/381964530.db2.gz QYSRIVMNZFKKIM-UHFFFAOYSA-N 2 0 277.437 2.975 20 30 CFEDRP C=C(C)CC[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000351836956 382065384 /nfs/dbraw/zinc/06/53/84/382065384.db2.gz STZLFJREQJVWLM-GOSISDBHSA-N 2 0 288.435 2.521 20 30 CFEDRP C=CC[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1cccs1 ZINC000420328559 382372862 /nfs/dbraw/zinc/37/28/62/382372862.db2.gz ZYFFVESAJZJSGO-ZDUSSCGKSA-N 2 0 250.411 2.736 20 30 CFEDRP N#Cc1ccc(F)c(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000365549509 382411036 /nfs/dbraw/zinc/41/10/36/382411036.db2.gz RPJBDRYXDYQVQV-SOLBZPMBSA-N 2 0 299.393 2.613 20 30 CFEDRP C=CC[NH+](CC=C)[C@@H](CNc1cc[nH+]c(C)c1)C(C)C ZINC000358150346 382470511 /nfs/dbraw/zinc/47/05/11/382470511.db2.gz MUZTXJAQNUKZKV-KRWDZBQOSA-N 2 0 273.424 2.922 20 30 CFEDRP N#CCCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000309683109 382490552 /nfs/dbraw/zinc/49/05/52/382490552.db2.gz BAERLSRXPCEXIJ-KZNAEPCWSA-N 2 0 283.419 2.790 20 30 CFEDRP C[C@@H](C#N)Oc1ccc(CN2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000366488642 382519650 /nfs/dbraw/zinc/51/96/50/382519650.db2.gz JKFVRDLDGJZYBO-YJBOKZPZSA-N 2 0 299.418 2.505 20 30 CFEDRP C=C[C@@H](C)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000358303477 382558038 /nfs/dbraw/zinc/55/80/38/382558038.db2.gz RBDZNFPNZZVITA-ZIAGYGMSSA-N 2 0 262.397 2.852 20 30 CFEDRP C=CCC[C@H](O)C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367309827 382564067 /nfs/dbraw/zinc/56/40/67/382564067.db2.gz KZRYUPLAYUZUMN-RDJZCZTQSA-N 2 0 292.467 2.510 20 30 CFEDRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353254540 382531284 /nfs/dbraw/zinc/53/12/84/382531284.db2.gz MABSXPOGUFSCOK-NXOUGTEYSA-N 2 0 281.403 2.618 20 30 CFEDRP COc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)ccc1C#N ZINC000353630774 382585710 /nfs/dbraw/zinc/58/57/10/382585710.db2.gz NPSAVFBAKBVZAI-UHFFFAOYSA-N 2 0 287.407 2.529 20 30 CFEDRP Cc1nccn1CCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000336855497 382735666 /nfs/dbraw/zinc/73/56/66/382735666.db2.gz IGDBCBPSYASFGT-ZWKOTPCHSA-N 2 0 294.402 2.963 20 30 CFEDRP Cc1nccn1CCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000336855495 382735717 /nfs/dbraw/zinc/73/57/17/382735717.db2.gz IGDBCBPSYASFGT-QZTJIDSGSA-N 2 0 294.402 2.963 20 30 CFEDRP CC[N@@H+]1CCC[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000337880698 382872674 /nfs/dbraw/zinc/87/26/74/382872674.db2.gz RIEDOHARASOVHQ-CQSZACIVSA-N 2 0 251.418 2.638 20 30 CFEDRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)c1 ZINC000442764200 382953424 /nfs/dbraw/zinc/95/34/24/382953424.db2.gz CNNBIDMYUTXCSQ-PBHICJAKSA-N 2 0 271.408 2.920 20 30 CFEDRP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000442776637 382954352 /nfs/dbraw/zinc/95/43/52/382954352.db2.gz CCMCUADEHWNEAR-QYZOEREBSA-N 2 0 297.446 2.833 20 30 CFEDRP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000442776635 382954398 /nfs/dbraw/zinc/95/43/98/382954398.db2.gz CCMCUADEHWNEAR-QRVBRYPASA-N 2 0 297.446 2.833 20 30 CFEDRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(F)c(C#N)c2)[C@@H](C)C1 ZINC000246686727 383093926 /nfs/dbraw/zinc/09/39/26/383093926.db2.gz RDDVGXRPCSNIFB-SUMWQHHRSA-N 2 0 289.398 2.859 20 30 CFEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248911413 383307605 /nfs/dbraw/zinc/30/76/05/383307605.db2.gz VKOJDEXGOMKSAE-OAGGEKHMSA-N 2 0 263.429 2.779 20 30 CFEDRP C=C(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000252687489 383427556 /nfs/dbraw/zinc/42/75/56/383427556.db2.gz LKYARAVWCGDFOZ-IRXDYDNUSA-N 2 0 256.393 2.916 20 30 CFEDRP C[C@H](CCC#N)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000428268799 383439387 /nfs/dbraw/zinc/43/93/87/383439387.db2.gz NJWFGRWQRVPKFX-RBSFLKMASA-N 2 0 263.429 2.921 20 30 CFEDRP C[C@H](CCC#N)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000428268796 383439686 /nfs/dbraw/zinc/43/96/86/383439686.db2.gz NJWFGRWQRVPKFX-ILXRZTDVSA-N 2 0 263.429 2.921 20 30 CFEDRP C=CCOc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000430916057 383610894 /nfs/dbraw/zinc/61/08/94/383610894.db2.gz SPCKDQHCGXWGSO-UHFFFAOYSA-N 2 0 286.419 2.827 20 30 CFEDRP C=C(C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000638438900 384654972 /nfs/dbraw/zinc/65/49/72/384654972.db2.gz MMCUZLGXBHYNEO-UHFFFAOYSA-N 2 0 288.435 2.525 20 30 CFEDRP C#C[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289110006 197236666 /nfs/dbraw/zinc/23/66/66/197236666.db2.gz CSHJAIAXTFGCDQ-UXLLHSPISA-N 2 0 256.393 2.508 20 30 CFEDRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000093688477 184706747 /nfs/dbraw/zinc/70/67/47/184706747.db2.gz CADGHLKUWWTQLM-UHFFFAOYSA-N 2 0 275.396 2.705 20 30 CFEDRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1F ZINC000423256843 533403287 /nfs/dbraw/zinc/40/32/87/533403287.db2.gz GHNNGBRMVZHLBW-CHWSQXEVSA-N 2 0 275.371 2.738 20 30 CFEDRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(C#N)c1 ZINC000423348880 533425079 /nfs/dbraw/zinc/42/50/79/533425079.db2.gz USNZVGJKPDYOFK-CJNGLKHVSA-N 2 0 257.381 2.599 20 30 CFEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000373864316 393476219 /nfs/dbraw/zinc/47/62/19/393476219.db2.gz CHUFOQZIDYECBX-QAPCUYQASA-N 2 0 292.467 2.964 20 30 CFEDRP CCCCCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374318187 393492864 /nfs/dbraw/zinc/49/28/64/393492864.db2.gz PQSZCVUYBOMIST-ZWKOTPCHSA-N 2 0 295.515 2.915 20 30 CFEDRP C[NH+](C)C1(CNC(=[NH2+])Nc2cc(F)ccc2F)CCCC1 ZINC000262271694 393953974 /nfs/dbraw/zinc/95/39/74/393953974.db2.gz IOWDPISRPVPUKP-UHFFFAOYSA-N 2 0 296.365 2.566 20 30 CFEDRP CCC[N@H+](CCC[NH+](C)C)CC(C)(C)CCC#N ZINC000349343520 393968007 /nfs/dbraw/zinc/96/80/07/393968007.db2.gz GVCGWPZFCHVFKC-UHFFFAOYSA-N 2 0 253.434 2.980 20 30 CFEDRP C#CC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000366793411 394247607 /nfs/dbraw/zinc/24/76/07/394247607.db2.gz YDDAOLLZCRSOFI-DSLXNQLJSA-N 2 0 282.431 2.898 20 30 CFEDRP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(C#N)cc1 ZINC000423400843 394279565 /nfs/dbraw/zinc/27/95/65/394279565.db2.gz QKSPBLCOPKDPKE-UHOFOFEASA-N 2 0 257.381 2.597 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(C#N)c1 ZINC000423544608 394295666 /nfs/dbraw/zinc/29/56/66/394295666.db2.gz OOUWYJUHBUKKRE-OSMBCOQSSA-N 2 0 269.392 2.597 20 30 CFEDRP CC#CCC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000155971982 394326587 /nfs/dbraw/zinc/32/65/87/394326587.db2.gz APLRBAQTZOZBCX-CALCHBBNSA-N 2 0 292.467 2.611 20 30 CFEDRP C=CCOc1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647499120 395364262 /nfs/dbraw/zinc/36/42/62/395364262.db2.gz ZVFBUGFSQITCIQ-ZBFHGGJFSA-N 2 0 274.408 2.811 20 30 CFEDRP C=C(C)[C@H](CO)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000649245899 395460103 /nfs/dbraw/zinc/46/01/03/395460103.db2.gz ZHZTWNSNVSIOMF-KRWDZBQOSA-N 2 0 280.456 2.511 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647796903 395432446 /nfs/dbraw/zinc/43/24/46/395432446.db2.gz QUUOXGMLUBAZEI-GVDBMIGSSA-N 2 0 286.419 2.729 20 30 CFEDRP C=C(C)[C@@H](CO)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000649353243 395476598 /nfs/dbraw/zinc/47/65/98/395476598.db2.gz PYNQFIDCBCHTJA-SJLPKXTDSA-N 2 0 294.483 2.900 20 30 CFEDRP C=CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000650708548 397861409 /nfs/dbraw/zinc/86/14/09/397861409.db2.gz CRKLLOKSEJJFPT-WMZOPIPTSA-N 2 0 286.419 2.812 20 30 CFEDRP C=CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000650708627 397861845 /nfs/dbraw/zinc/86/18/45/397861845.db2.gz HXWLDKRZSBHUTB-WMZOPIPTSA-N 2 0 286.419 2.812 20 30 CFEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650753121 397882762 /nfs/dbraw/zinc/88/27/62/397882762.db2.gz HAZYZFIBZVKMLC-VXGBXAGGSA-N 2 0 250.361 2.975 20 30 CFEDRP C=CCOc1ccccc1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663497499 413239986 /nfs/dbraw/zinc/23/99/86/413239986.db2.gz AUMDLCRJIRTGEL-OAHLLOKOSA-N 2 0 262.397 2.714 20 30 CFEDRP C=CCOc1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000663497517 413240116 /nfs/dbraw/zinc/24/01/16/413240116.db2.gz BFYUGBGYXVXURV-MRXNPFEDSA-N 2 0 262.397 2.714 20 30 CFEDRP N#Cc1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1F ZINC000373812076 157032439 /nfs/dbraw/zinc/03/24/39/157032439.db2.gz KEAYAOAUWYYWBQ-RYRKJORJSA-N 2 0 299.393 2.613 20 30 CFEDRP CC[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(C#N)cc1 ZINC000423228975 286901291 /nfs/dbraw/zinc/90/12/91/286901291.db2.gz GDWBSSYAMZDEAC-UYSNPLJNSA-N 2 0 257.381 2.869 20 30 CFEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2nc(C#N)cs2)C1 ZINC000352830300 163244933 /nfs/dbraw/zinc/24/49/33/163244933.db2.gz AAQPJYHQDBCGLV-CYBMUJFWSA-N 2 0 292.452 2.616 20 30 CFEDRP N#Cc1csc(C[NH2+]CCCCC[NH+]2CCCCC2)n1 ZINC000352836728 163247336 /nfs/dbraw/zinc/24/73/36/163247336.db2.gz XCIIEAQOEZBDTP-UHFFFAOYSA-N 2 0 292.452 2.761 20 30 CFEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000651674466 413560057 /nfs/dbraw/zinc/56/00/57/413560057.db2.gz QLUJFNDGFMUZHN-FGTMMUONSA-N 2 0 293.499 2.593 20 30 CFEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000651705581 413582082 /nfs/dbraw/zinc/58/20/82/413582082.db2.gz XXVNEFREIIEWOC-KURKYZTESA-N 2 0 293.499 2.594 20 30 CFEDRP C=CC[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000651713829 413587716 /nfs/dbraw/zinc/58/77/16/413587716.db2.gz GLVDKMIMVFYSPZ-IXDOHACOSA-N 2 0 280.456 2.558 20 30 CFEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000657872643 414016268 /nfs/dbraw/zinc/01/62/68/414016268.db2.gz OQURWTKIPGUEAD-QZTJIDSGSA-N 2 0 293.499 2.739 20 30 CFEDRP C=CC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)CC1CCCCC1 ZINC000662254087 414480252 /nfs/dbraw/zinc/48/02/52/414480252.db2.gz FDRLRTATKZXDJJ-INIZCTEOSA-N 2 0 278.440 2.576 20 30 CFEDRP C=CCCC1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCC1 ZINC000656703364 414644050 /nfs/dbraw/zinc/64/40/50/414644050.db2.gz REOBIONADOOUAJ-MRXNPFEDSA-N 2 0 280.456 2.559 20 30 CFEDRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000044517475 175190512 /nfs/dbraw/zinc/19/05/12/175190512.db2.gz SDGWMCOPLIDSCY-AWEZNQCLSA-N 2 0 271.408 2.941 20 30 CFEDRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000044516836 175190592 /nfs/dbraw/zinc/19/05/92/175190592.db2.gz JYKIWNPOCXZCGT-CYBMUJFWSA-N 2 0 257.381 2.551 20 30 CFEDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCC(C)(C)C#N)CC[C@H]21 ZINC000129108244 260383464 /nfs/dbraw/zinc/38/34/64/260383464.db2.gz NAQZFKGWUPJCSV-HUUCEWRRSA-N 2 0 263.429 2.732 20 30 CFEDRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000174879653 261201043 /nfs/dbraw/zinc/20/10/43/261201043.db2.gz ZIPQOJJRCNASPJ-HNNXBMFYSA-N 2 0 265.445 2.980 20 30 CFEDRP CN(C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185792155 262071780 /nfs/dbraw/zinc/07/17/80/262071780.db2.gz DPDOYQUWPUCASG-OKZBNKHCSA-N 2 0 285.435 2.831 20 30 CFEDRP CC[C@H](C)NC(=[NH2+])NCc1cccc(C[NH+](CC)CC)c1 ZINC000264101862 262871639 /nfs/dbraw/zinc/87/16/39/262871639.db2.gz OLLPFNOTGMRUTJ-AWEZNQCLSA-N 2 0 290.455 2.731 20 30 CFEDRP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H]3CC[C@@H](C#N)C3)C2)n1 ZINC000278560605 263048766 /nfs/dbraw/zinc/04/87/66/263048766.db2.gz IJCFGRKPZPCTKF-OWCLPIDISA-N 2 0 284.407 2.816 20 30 CFEDRP C=CCOc1cccc(C[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000414897133 263104863 /nfs/dbraw/zinc/10/48/63/263104863.db2.gz AWNQROJXLSTLKS-UHFFFAOYSA-N 2 0 274.408 2.731 20 30 CFEDRP CC[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[NH+]1CCCC1 ZINC000288787993 263106048 /nfs/dbraw/zinc/10/60/48/263106048.db2.gz XHJXHVSNCWJXGN-GFCCVEGCSA-N 2 0 296.365 2.566 20 30 CFEDRP C=CCOc1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000414908321 263114976 /nfs/dbraw/zinc/11/49/76/263114976.db2.gz QTAYSKPQRWTDKB-QGZVFWFLSA-N 2 0 274.408 2.731 20 30 CFEDRP C=CCOc1ccccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414926911 263132347 /nfs/dbraw/zinc/13/23/47/263132347.db2.gz OFAKBLXKBWMNDF-GJZGRUSLSA-N 2 0 260.381 2.611 20 30 CFEDRP CC(C)(CCC#N)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297440782 263205120 /nfs/dbraw/zinc/20/51/20/263205120.db2.gz GINRVRVJSWNFJB-UHFFFAOYSA-N 2 0 256.353 2.754 20 30 CFEDRP C=CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000453307954 263226641 /nfs/dbraw/zinc/22/66/41/263226641.db2.gz MIKORBMFMATAIQ-JKSUJKDBSA-N 2 0 282.472 2.925 20 30 CFEDRP C=CCCC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000117877737 267223816 /nfs/dbraw/zinc/22/38/16/267223816.db2.gz JCGQIZLOMOGPKI-IYBDPMFKSA-N 2 0 280.456 2.774 20 30 CFEDRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000423327642 278255695 /nfs/dbraw/zinc/25/56/95/278255695.db2.gz LMTZZJUGWXIXAG-ZDUSSCGKSA-N 2 0 257.381 2.599 20 30 CFEDRP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccc(C#N)cc1 ZINC000423374671 288090472 /nfs/dbraw/zinc/09/04/72/288090472.db2.gz HXGJMMAYQNEJPY-RCBQFDQVSA-N 2 0 257.381 2.739 20 30 CFEDRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000336224628 289376314 /nfs/dbraw/zinc/37/63/14/289376314.db2.gz SPAFYIWMZOMNQK-FYRZTWFESA-N 2 0 263.429 2.921 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(C#N)cc1 ZINC000089142288 290004872 /nfs/dbraw/zinc/00/48/72/290004872.db2.gz IHKNEWASHWKIOV-APHBMKBZSA-N 2 0 257.381 2.726 20 30 CFEDRP N#CCSCCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000173897500 329153260 /nfs/dbraw/zinc/15/32/60/329153260.db2.gz PQWDFUKFSUJOJT-HNNXBMFYSA-N 2 0 281.469 2.584 20 30 CFEDRP C=C(C)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177497720 329184834 /nfs/dbraw/zinc/18/48/34/329184834.db2.gz ZTZADIPUYMOZHS-HZPDHXFCSA-N 2 0 280.456 2.774 20 30 CFEDRP C=CCC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177510324 329185305 /nfs/dbraw/zinc/18/53/05/329185305.db2.gz GXKJKLSCNBXVGJ-HZPDHXFCSA-N 2 0 280.456 2.774 20 30 CFEDRP C[C@@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)C[NH+]1CCCCC1 ZINC000185788464 329331897 /nfs/dbraw/zinc/33/18/97/329331897.db2.gz UHEBXRXEWBCSMS-JYJNAYRXSA-N 2 0 263.429 2.780 20 30 CFEDRP CCCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185799371 329331967 /nfs/dbraw/zinc/33/19/67/329331967.db2.gz PJALTOSXLVZLFF-GDBMZVCRSA-N 2 0 263.429 2.923 20 30 CFEDRP Cc1cccc(NC(=[NH2+])NC2CC([NH+]3CCCCC3)C2)c1 ZINC000262486408 330016832 /nfs/dbraw/zinc/01/68/32/330016832.db2.gz SOHWYZUXKFNRSO-UHFFFAOYSA-N 2 0 286.423 2.739 20 30 CFEDRP C=CCCC[C@@H](C)[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423022792 330165748 /nfs/dbraw/zinc/16/57/48/330165748.db2.gz FWJQRTJAWALMPO-HUUCEWRRSA-N 2 0 296.455 2.642 20 30 CFEDRP N#CC1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000423094193 330169559 /nfs/dbraw/zinc/16/95/59/330169559.db2.gz BAJLGOIHSVMVBK-LMNGEROHSA-N 2 0 275.440 2.827 20 30 CFEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000446891187 330857234 /nfs/dbraw/zinc/85/72/34/330857234.db2.gz VGLGOYCJYFYYQB-HUUCEWRRSA-N 2 0 261.413 2.533 20 30 CFEDRP C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000449524199 330933834 /nfs/dbraw/zinc/93/38/34/330933834.db2.gz ZMYBTEWFFGKFLE-BGTYHANMSA-N 2 0 292.467 2.963 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@@H]2CCC[C@H]21 ZINC000453287430 331111428 /nfs/dbraw/zinc/11/14/28/331111428.db2.gz FWLRUPSYHUDHTG-UVPYHEFZSA-N 2 0 261.413 2.531 20 30 CFEDRP C[C@H](C[NH2+]CC(C)(C)CCC#N)C[NH+]1CCCC1 ZINC000135152772 334117956 /nfs/dbraw/zinc/11/79/56/334117956.db2.gz LGMVVGOOAZSJEP-CQSZACIVSA-N 2 0 251.418 2.638 20 30 CFEDRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000576576494 335220835 /nfs/dbraw/zinc/22/08/35/335220835.db2.gz FBTROFZPSMFVAD-QGZVFWFLSA-N 2 0 290.455 2.778 20 30 CFEDRP C=CC(C)(C)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000384915319 336134268 /nfs/dbraw/zinc/13/42/68/336134268.db2.gz FFHPXOVUDHYCAG-UHFFFAOYSA-N 2 0 259.397 2.852 20 30 CFEDRP N#Cc1ccc(C[N@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000230000784 526607591 /nfs/dbraw/zinc/60/75/91/526607591.db2.gz BDQKSNBOGHZBPZ-UHFFFAOYSA-N 2 0 279.387 2.909 20 30 CFEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000335020120 526690828 /nfs/dbraw/zinc/69/08/28/526690828.db2.gz ZAPRPLGGTNPAHU-YJBOKZPZSA-N 2 0 283.419 2.915 20 30 CFEDRP C=CCOc1ccccc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000347221159 526930750 /nfs/dbraw/zinc/93/07/50/526930750.db2.gz UCRUXJDZWGDXSS-AWEZNQCLSA-N 2 0 274.408 2.811 20 30 CFEDRP C#CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000742375407 574325609 /nfs/dbraw/zinc/32/56/09/574325609.db2.gz RSBLDWIBISAKDQ-NVXWUHKLSA-N 2 0 286.419 2.661 20 30 CFEDRP CCCCCCNC(=[NH2+])NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000157389850 618174827 /nfs/dbraw/zinc/17/48/27/618174827.db2.gz CRSPKYLSSUKHTN-INIZCTEOSA-N 2 0 296.503 2.839 20 30 CFEDRP C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000782183181 618200099 /nfs/dbraw/zinc/20/00/99/618200099.db2.gz ILGJCVIFAHYKTJ-AWEZNQCLSA-N 2 0 271.408 2.893 20 30 CFEDRP N#Cc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925604876 618292231 /nfs/dbraw/zinc/29/22/31/618292231.db2.gz AYRZKKVAAYSTOE-ZWKOTPCHSA-N 2 0 283.419 2.816 20 30 CFEDRP C#CCCC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000178052969 618621355 /nfs/dbraw/zinc/62/13/55/618621355.db2.gz BLAMCBRSZVXWEJ-OAHLLOKOSA-N 2 0 274.408 2.691 20 30 CFEDRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(CC#N)cc2)C1 ZINC000925706293 618960830 /nfs/dbraw/zinc/96/08/30/618960830.db2.gz NASQVTHOYRSSKE-JKSUJKDBSA-N 2 0 271.408 2.748 20 30 CFEDRP CSc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1C#N ZINC000925774831 619092778 /nfs/dbraw/zinc/09/27/78/619092778.db2.gz XQJCWNMHZCCGOH-UONOGXRCSA-N 2 0 275.421 2.640 20 30 CFEDRP C=CCC[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000925783969 619108956 /nfs/dbraw/zinc/10/89/56/619108956.db2.gz QFJNOEWWANEMQN-CHWSQXEVSA-N 2 0 258.356 2.566 20 30 CFEDRP CCCCCCNC(=[NH2+])NCC[C@H](C)[NH+]1CCCCC1 ZINC000305796830 619992341 /nfs/dbraw/zinc/99/23/41/619992341.db2.gz AWVRPZNERBRZSE-HNNXBMFYSA-N 2 0 282.476 2.736 20 30 CFEDRP CCCCCCC[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000832543256 625408208 /nfs/dbraw/zinc/40/82/08/625408208.db2.gz DPKGMWQFIDQSOV-UHFFFAOYSA-N 2 0 283.504 2.963 20 30 CFEDRP CC(C)(CCC#N)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384956 621060435 /nfs/dbraw/zinc/06/04/35/621060435.db2.gz QDRPARMAAVDXGD-CYBMUJFWSA-N 2 0 251.418 2.684 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000903420677 621377776 /nfs/dbraw/zinc/37/77/76/621377776.db2.gz FKYPRDYXYQCTAD-UHFFFAOYSA-N 2 0 283.419 2.892 20 30 CFEDRP N#Cc1cc(Cl)cc(C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000903461615 621381463 /nfs/dbraw/zinc/38/14/63/621381463.db2.gz WDBABDBRAOPAAW-UHFFFAOYSA-N 2 0 277.799 2.772 20 30 CFEDRP CC[C@H]1C[N@H+](Cc2c(C)cc(C#N)cc2C)CC[C@@H]1[NH3+] ZINC000903449820 621386170 /nfs/dbraw/zinc/38/61/70/621386170.db2.gz HMVJBQBBYONKHM-RDJZCZTQSA-N 2 0 271.408 2.734 20 30 CFEDRP N#CC1CCC(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000903453839 621387650 /nfs/dbraw/zinc/38/76/50/621387650.db2.gz NLNWWTGRBIVMEZ-BHUNQDJPSA-N 2 0 275.440 2.638 20 30 CFEDRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000903716760 621424920 /nfs/dbraw/zinc/42/49/20/621424920.db2.gz RUDOULNZZBIXJR-GJZGRUSLSA-N 2 0 263.429 2.910 20 30 CFEDRP N#CC1(CCCCN2CCC[C@@H]3C[NH2+]CC[C@H]32)CCC1 ZINC000903781914 621441089 /nfs/dbraw/zinc/44/10/89/621441089.db2.gz XBZKAGAMFLVTOQ-HZPDHXFCSA-N 2 0 275.440 2.924 20 30 CFEDRP C#CCOc1ccccc1C[NH2+]CC1CC[NH+](CC)CC1 ZINC000044517641 622918604 /nfs/dbraw/zinc/91/86/04/622918604.db2.gz LPMUTVOVEXSAQP-UHFFFAOYSA-N 2 0 286.419 2.520 20 30 CFEDRP C=CCCCC[C@H](C)[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000823825041 623401142 /nfs/dbraw/zinc/40/11/42/623401142.db2.gz FAMIYZIJRWEPLV-JYJNAYRXSA-N 2 0 266.429 2.574 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000929637831 623498673 /nfs/dbraw/zinc/49/86/73/623498673.db2.gz QCBZTGNZKPRRFI-OAHLLOKOSA-N 2 0 271.408 2.559 20 30 CFEDRP C[NH+](C)Cc1cccc(C[NH2+]Cc2csc(C#N)c2)c1 ZINC000921513464 625963146 /nfs/dbraw/zinc/96/31/46/625963146.db2.gz KAUXHDIKYDTACQ-UHFFFAOYSA-N 2 0 285.416 2.971 20 30 CFEDRP N#Cc1cc(C[NH2+]CCCCC[NH+]2CCCC2)cs1 ZINC000922147134 626217580 /nfs/dbraw/zinc/21/75/80/626217580.db2.gz KMVSBTXXPMGEDG-UHFFFAOYSA-N 2 0 277.437 2.975 20 30 CFEDRP C#Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000809582600 626541122 /nfs/dbraw/zinc/54/11/22/626541122.db2.gz ZELIBPCRGINTIY-MAUKXSAKSA-N 2 0 270.420 2.973 20 30 CFEDRP C#CC[N@@H+](CC)Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000769111564 627403789 /nfs/dbraw/zinc/40/37/89/627403789.db2.gz RQJOXXZLPSZMTB-UHFFFAOYSA-N 2 0 299.462 2.674 20 30 CFEDRP C#CCCCC[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000773041812 627773449 /nfs/dbraw/zinc/77/34/49/627773449.db2.gz SJLDIMFFLPNCEL-IRXDYDNUSA-N 2 0 280.456 2.517 20 30 CFEDRP C#C[C@@H](C)[N@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000775179243 627998234 /nfs/dbraw/zinc/99/82/34/627998234.db2.gz MAFRQZRVEPPXLX-MRXNPFEDSA-N 2 0 286.419 2.615 20 30 CFEDRP C=C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775680671 628054797 /nfs/dbraw/zinc/05/47/97/628054797.db2.gz HHVMOQPXRWSUBM-UHFFFAOYSA-N 2 0 285.435 2.590 20 30 CFEDRP C=CCCCCC[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000793522456 629561439 /nfs/dbraw/zinc/56/14/39/629561439.db2.gz ADJXUOHNJDDSAN-SJORKVTESA-N 2 0 281.488 2.737 20 30 CFEDRP C#CCOc1ccccc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000796816895 629971584 /nfs/dbraw/zinc/97/15/84/629971584.db2.gz NGWQPWVCJNZFEX-UHFFFAOYSA-N 2 0 286.419 2.661 20 30 CFEDRP CCCCCCCC[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000842477942 631641944 /nfs/dbraw/zinc/64/19/44/631641944.db2.gz CMRHKUZZHYSBGV-MRXNPFEDSA-N 2 0 293.459 2.734 20 30 CFEDRP C=CCOc1ccccc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843055436 631818927 /nfs/dbraw/zinc/81/89/27/631818927.db2.gz CDOPURZIMUNOSK-UHFFFAOYSA-N 2 0 274.408 2.953 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+]CCCCCC[NH3+])cc1 ZINC000843342941 631932360 /nfs/dbraw/zinc/93/23/60/631932360.db2.gz VNPAKRFCPDHSJD-HNNXBMFYSA-N 2 0 274.408 2.868 20 30 CFEDRP C#CC[C@@H]1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000843423795 631953372 /nfs/dbraw/zinc/95/33/72/631953372.db2.gz RFASYBZTJCGBLH-MRXNPFEDSA-N 2 0 294.402 2.811 20 30 CFEDRP C#C[C@H](C)[NH+](C)Cc1cc(C[N@H+](C)[C@@H](C)C#C)cc(OC)c1 ZINC000814633614 632100402 /nfs/dbraw/zinc/10/04/02/632100402.db2.gz HLWOIIBKFQPAFA-HOTGVXAUSA-N 2 0 298.430 2.602 20 30 CFEDRP C#CCN(C)CCC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1CC ZINC000815652481 632304212 /nfs/dbraw/zinc/30/42/12/632304212.db2.gz FDNLTJWGFQGUCZ-BZUAXINKSA-N 2 0 250.430 2.746 20 30 CFEDRP C#CCN(C)CCC[NH2+][C@@H]1CC[C@H](C)C[C@H]1CC ZINC000815652480 632304623 /nfs/dbraw/zinc/30/46/23/632304623.db2.gz FDNLTJWGFQGUCZ-ARFHVFGLSA-N 2 0 250.430 2.746 20 30 CFEDRP C=CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccncc1 ZINC000817895275 632720523 /nfs/dbraw/zinc/72/05/23/632720523.db2.gz WQMPMDZHYDYPOW-VFSICIBPSA-N 2 0 257.381 2.571 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000817946850 632748559 /nfs/dbraw/zinc/74/85/59/632748559.db2.gz GLFLOWGQPMZIGV-IUDNXUCKSA-N 2 0 272.392 2.619 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000817966515 632765019 /nfs/dbraw/zinc/76/50/19/632765019.db2.gz PIVODNUTXBRWIS-YJBOKZPZSA-N 2 0 286.419 2.739 20 30 CFEDRP C=CCC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856583536 635835121 /nfs/dbraw/zinc/83/51/21/635835121.db2.gz JDLUHYSBWCKJFZ-KRWDZBQOSA-N 2 0 289.423 2.563 20 30 CFEDRP C[NH+](C)Cc1ccc(C[N@H+](C)[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000859212424 636507419 /nfs/dbraw/zinc/50/74/19/636507419.db2.gz JQIFPRBDWPRGEB-DLBZAZTESA-N 2 0 271.408 2.872 20 30 CFEDRP C#CC[C@H](COC)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000862548623 637420440 /nfs/dbraw/zinc/42/04/40/637420440.db2.gz JLPBDJHXHPFQAL-CGTJXYLNSA-N 2 0 292.467 2.657 20 30 CFEDRP CC(=NNc1cc[nH+]c(C)c1)c1cccc(C[NH+](C)C)c1 ZINC000863159414 637574424 /nfs/dbraw/zinc/57/44/24/637574424.db2.gz QCIIFEPWLXVONK-UHFFFAOYSA-N 2 0 282.391 2.710 20 30 CFEDRP CCCCCCC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000863540290 637688805 /nfs/dbraw/zinc/68/88/05/637688805.db2.gz RWHWYBJBRZDTBD-BZUAXINKSA-N 2 0 268.445 2.704 20 30 CFEDRP C=CC[NH+]1CCC(Nc2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865522886 638394311 /nfs/dbraw/zinc/39/43/11/638394311.db2.gz ZEDZUEXDGRYDHN-UHFFFAOYSA-N 2 0 285.313 2.585 20 30 CFEDRP C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000872139331 641667440 /nfs/dbraw/zinc/66/74/40/641667440.db2.gz JHPMZYZGCGXNML-VIQHNZTISA-N 2 0 260.425 2.641 20 30 CFEDRP C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)C1CC[NH2+]CC1 ZINC000873269067 642111340 /nfs/dbraw/zinc/11/13/40/642111340.db2.gz LLAHBQWDLYMADW-FZKQIMNGSA-N 2 0 283.419 2.913 20 30 CFEDRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000873271893 642113398 /nfs/dbraw/zinc/11/33/98/642113398.db2.gz LLUKUTKVGPUXHW-RYUDHWBXSA-N 2 0 275.371 2.736 20 30 CFEDRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(OCC#N)cc1 ZINC000873272560 642113702 /nfs/dbraw/zinc/11/37/02/642113702.db2.gz UWGFSPKBEXJMPG-KBPBESRZSA-N 2 0 287.407 2.628 20 30 CFEDRP C#CCCCCCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000876811241 643019916 /nfs/dbraw/zinc/01/99/16/643019916.db2.gz JBQACVKVVAMCHQ-OKZBNKHCSA-N 2 0 292.467 2.754 20 30 CFEDRP C#CCCCCCC[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000877524647 643327813 /nfs/dbraw/zinc/32/78/13/643327813.db2.gz AFJIMJBTIQBAET-INIZCTEOSA-N 2 0 250.430 2.890 20 30 CFEDRP C[C@H](CCC#N)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000877684801 643453451 /nfs/dbraw/zinc/45/34/51/643453451.db2.gz YMVQIGXFLZTLJH-OAHLLOKOSA-N 2 0 263.429 2.734 20 30 CFEDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cccc(C#N)c1)CC2 ZINC000877685235 643454174 /nfs/dbraw/zinc/45/41/74/643454174.db2.gz QNIKDZZYKVUTDL-UHFFFAOYSA-N 2 0 283.419 2.866 20 30 CFEDRP C[C@H](CCC#N)C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000877711294 643477332 /nfs/dbraw/zinc/47/73/32/643477332.db2.gz CHKSBUSWGQGWCO-WLYUNCDWSA-N 2 0 251.418 2.779 20 30 CFEDRP C=CC[C@@H](C(=O)OC)[NH+]1CCC(C[N@@H+](C)CCCC)CC1 ZINC000877977456 643676274 /nfs/dbraw/zinc/67/62/74/643676274.db2.gz XKYSJBAATCYUSI-INIZCTEOSA-N 2 0 296.455 2.548 20 30 CFEDRP C[N@@H+](CCc1cccc(C#N)c1)CC[C@@H]1CCC[NH+]1C ZINC000879432474 644268839 /nfs/dbraw/zinc/26/88/39/644268839.db2.gz AVIAJWPYHGKAGR-KRWDZBQOSA-N 2 0 271.408 2.517 20 30 CFEDRP CC(C)C[N@H+](CCCSCC#N)CC1CC[NH+](C)CC1 ZINC000879704706 644389614 /nfs/dbraw/zinc/38/96/14/644389614.db2.gz UFQHPPOTENCZMY-UHFFFAOYSA-N 2 0 297.512 2.933 20 30 CFEDRP C[C@@H]1C[N@H+](CCC(C)(C)C#N)CCN1c1cc[nH+]cc1 ZINC000880260657 644616901 /nfs/dbraw/zinc/61/69/01/644616901.db2.gz QUUCAPSXURAWFG-CQSZACIVSA-N 2 0 272.396 2.532 20 30 CFEDRP CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@H]2CC[N@H+](C)C2)cc1 ZINC000303900211 651008261 /nfs/dbraw/zinc/00/82/61/651008261.db2.gz SDCUYKIOGRFSTK-UONOGXRCSA-N 2 0 288.439 2.878 20 30 CFEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@H](C)C[NH+]1CCCC1 ZINC000303883197 651006502 /nfs/dbraw/zinc/00/65/02/651006502.db2.gz MADYUFOBCKHSTI-HOTGVXAUSA-N 2 0 296.503 2.837 20 30 CFEDRP CCc1ccc(NC(=[NH2+])NCC[NH+]2CCC(C)CC2)cc1 ZINC000303896850 651007265 /nfs/dbraw/zinc/00/72/65/651007265.db2.gz QGNQIAKBRGERGY-UHFFFAOYSA-N 2 0 288.439 2.708 20 30 CFEDRP CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](C)C2)cc1 ZINC000303900209 651007960 /nfs/dbraw/zinc/00/79/60/651007960.db2.gz SDCUYKIOGRFSTK-KGLIPLIRSA-N 2 0 288.439 2.878 20 30 CFEDRP C=CCC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@H]1CCCO1 ZINC000883163825 645633689 /nfs/dbraw/zinc/63/36/89/645633689.db2.gz MHKZQVQQEKQUPY-LSDHHAIUSA-N 2 0 268.445 2.678 20 30 CFEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])Nc1cccc(C)c1 ZINC000304759701 651032995 /nfs/dbraw/zinc/03/29/95/651032995.db2.gz RNDXGLKZGNAZCU-HNNXBMFYSA-N 2 0 274.412 2.596 20 30 CFEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=[NH2+])N2CCCCCC2)C1 ZINC000305064546 651043602 /nfs/dbraw/zinc/04/36/02/651043602.db2.gz MJMVIXHJIGAMBL-IYBDPMFKSA-N 2 0 294.487 2.545 20 30 CFEDRP C#C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CCCO1 ZINC000886594181 647058151 /nfs/dbraw/zinc/05/81/51/647058151.db2.gz HMKQATFUKGNXQV-QLOLRVAOSA-N 2 0 290.451 2.554 20 30 CFEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886628513 647076539 /nfs/dbraw/zinc/07/65/39/647076539.db2.gz SQONTRWQGOKSRX-NALMEZQBSA-N 2 0 292.467 2.964 20 30 CFEDRP Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)CC(C)(C)C#N ZINC000924953640 648077341 /nfs/dbraw/zinc/07/73/41/648077341.db2.gz RLDHESBQXWJGPQ-QWHCGFSZSA-N 2 0 262.401 2.746 20 30 CFEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925619485 648243153 /nfs/dbraw/zinc/24/31/53/648243153.db2.gz OBEAHJWHQNWVTR-OIISXLGYSA-N 2 0 299.418 2.727 20 30 CFEDRP C=CCCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000925712017 648291909 /nfs/dbraw/zinc/29/19/09/648291909.db2.gz YWQLLTMBADSUBL-XYTVBORESA-N 2 0 280.456 2.963 20 30 CFEDRP CC1(C)C[C@@H]([NH2+]CCc2ccc(C#N)cc2)C[C@@H]([NH3+])C1 ZINC000925713675 648292787 /nfs/dbraw/zinc/29/27/87/648292787.db2.gz MOXPMQSCYJBTMM-CVEARBPZSA-N 2 0 271.408 2.596 20 30 CFEDRP CSc1ccc(C[NH2+][C@H](C)CCCC[NH3+])cc1C#N ZINC000925773937 648317623 /nfs/dbraw/zinc/31/76/23/648317623.db2.gz QKNKKMTVUMFEBM-GFCCVEGCSA-N 2 0 277.437 2.887 20 30 CFEDRP CSc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])cc1C#N ZINC000925773939 648317983 /nfs/dbraw/zinc/31/79/83/648317983.db2.gz QKNKKMTVUMFEBM-LBPRGKRZSA-N 2 0 277.437 2.887 20 30 CFEDRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(C#N)cc1F ZINC000925794277 648325631 /nfs/dbraw/zinc/32/56/31/648325631.db2.gz CYFQYTMTYPUXLU-YRGRVCCFSA-N 2 0 275.371 2.594 20 30 CFEDRP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(C#N)cc1 ZINC000925847641 648344275 /nfs/dbraw/zinc/34/42/75/648344275.db2.gz XPJFCCRZCYEFKV-IAOVAPTHSA-N 2 0 269.392 2.741 20 30 CFEDRP C=CCOCC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926117352 648409655 /nfs/dbraw/zinc/40/96/55/648409655.db2.gz YFWJGAOXGSQBKA-CQSZACIVSA-N 2 0 262.397 2.601 20 30 CFEDRP C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000926567767 648536297 /nfs/dbraw/zinc/53/62/97/648536297.db2.gz NECOIYTXSSXZND-GFCCVEGCSA-N 2 0 256.353 2.752 20 30 CFEDRP C[C@H](CC(C)(C)C#N)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000926574517 648539002 /nfs/dbraw/zinc/53/90/02/648539002.db2.gz VEOJSJAFZOGFQN-ZIAGYGMSSA-N 2 0 251.418 2.636 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(C#N)c2)[C@H](C)C1 ZINC000926962931 648672698 /nfs/dbraw/zinc/67/26/98/648672698.db2.gz AKCRUMTYHQCPKV-PBHICJAKSA-N 2 0 271.408 2.687 20 30 CFEDRP C[C@@H]1C[C@@H]([N@H+](C)CC2CCC(C#N)CC2)CCN1C ZINC000929783647 649120986 /nfs/dbraw/zinc/12/09/86/649120986.db2.gz XGQZSGCHYYFBRB-LMPOIIKSSA-N 2 0 263.429 2.731 20 30 CFEDRP C[N@@H+]1CC[C@@H]2C[NH+](CCCCC3(C#N)CCC3)C[C@@H]2C1 ZINC000931442453 649428520 /nfs/dbraw/zinc/42/85/20/649428520.db2.gz HVETZQIXGUICDJ-CVEARBPZSA-N 2 0 275.440 2.734 20 30 CFEDRP CCCCCCNC(=[NH2+])NCC[C@@H](C)[NH+]1CCCCC1 ZINC000305796842 651081043 /nfs/dbraw/zinc/08/10/43/651081043.db2.gz AWVRPZNERBRZSE-OAHLLOKOSA-N 2 0 282.476 2.736 20 30 CFEDRP C[C@H](CCNC(=[NH2+])NC1CCCCCC1)[NH+]1CCCCC1 ZINC000305838400 651084636 /nfs/dbraw/zinc/08/46/36/651084636.db2.gz XXJPMACOUZIDSR-OAHLLOKOSA-N 2 0 294.487 2.878 20 30 CFEDRP CC[N@H+](CCc1ccc(C#N)cc1)C1CCN(C)CC1 ZINC001208926294 769968324 /nfs/dbraw/zinc/96/83/24/769968324.db2.gz OEZSNKXZXHRMPW-UHFFFAOYSA-N 2 0 271.408 2.517 20 30 CFEDRP CCc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)ccc1C#N ZINC001206810890 770009727 /nfs/dbraw/zinc/00/97/27/770009727.db2.gz QNICLJPZTIGVFQ-UKRRQHHQSA-N 2 0 271.408 2.680 20 30 CFEDRP C[C@@H](C[NH2+][C@@H](C)CC(C)(C)C#N)C[NH+]1CCCC1 ZINC000695789262 776013434 /nfs/dbraw/zinc/01/34/34/776013434.db2.gz WPMHPTQNOIQGPA-KBPBESRZSA-N 2 0 251.418 2.636 20 30 CFEDRP C[C@@H](c1cccc(O[C@H](CC#N)C[N+](C)(C)C)c1)[NH+](C)C ZINC001229626378 776859424 /nfs/dbraw/zinc/85/94/24/776859424.db2.gz LMOQZNHMVDMBKD-WMLDXEAASA-N 2 0 290.431 2.676 20 30 CFEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(-n2cc(C[NH3+])cn2)cc1 ZINC001168262295 778279459 /nfs/dbraw/zinc/27/94/59/778279459.db2.gz ZVHRCFMZWJACJA-KRWDZBQOSA-N 2 0 282.391 2.654 20 30 CFEDRP CCCCCCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127082093 778737641 /nfs/dbraw/zinc/73/76/41/778737641.db2.gz KYSXEOVTRFICGI-INIZCTEOSA-N 2 0 297.487 2.535 20 30 CFEDRP N#Cc1ccc(CCC[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237381224 779087309 /nfs/dbraw/zinc/08/73/09/779087309.db2.gz IHXLNLDESSXBBG-ROUUACIJSA-N 2 0 283.419 2.565 20 30 CFEDRP C=CCCCCCCCCC[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235051754 779305257 /nfs/dbraw/zinc/30/52/57/779305257.db2.gz AOHZJVPNAUZHQR-SFHVURJKSA-N 2 0 293.499 2.931 20 30 CFEDRP N#Cc1cc(-c2ccc3c(c2)C[NH2+]CC3)cc(C2C[NH2+]C2)c1 ZINC001240345969 780097471 /nfs/dbraw/zinc/09/74/71/780097471.db2.gz WCKZASOMIDZJJK-UHFFFAOYSA-N 2 0 289.382 2.558 20 30 CFEDRP N#Cc1cc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)ccn1 ZINC001241195479 780697706 /nfs/dbraw/zinc/69/77/06/780697706.db2.gz FCRYSQVZLAUTGH-UHFFFAOYSA-N 2 0 292.386 2.543 20 30 CFEDRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(C#N)cc1 ZINC000594512061 349436257 /nfs/dbraw/zinc/43/62/57/349436257.db2.gz SWUJCCVIVSTLAG-DUVNUKRYSA-N 2 0 257.381 2.549 20 30 CFEDRP N#Cc1ccc(C2([NH2+][C@@H]3CCC[C@H]([NH3+])C3)CCC2)cc1 ZINC000594584720 349452168 /nfs/dbraw/zinc/45/21/68/349452168.db2.gz FJDZUGPMYMHGFV-JKSUJKDBSA-N 2 0 269.392 2.797 20 30 CFEDRP N#Cc1cccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000594734571 349483984 /nfs/dbraw/zinc/48/39/84/349483984.db2.gz BMKKBSOXVWLULY-GOSISDBHSA-N 2 0 283.419 2.770 20 30 CFEDRP N#Cc1cccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000595000673 349543145 /nfs/dbraw/zinc/54/31/45/349543145.db2.gz KPGOUURWQQUYIY-UHFFFAOYSA-N 2 0 283.419 2.770 20 30 CFEDRP C=CCCSCC[NH2+]C1CC[NH+](CCC)CC1 ZINC000595060577 349571209 /nfs/dbraw/zinc/57/12/09/349571209.db2.gz VUNGTVFOGWMBSG-UHFFFAOYSA-N 2 0 256.459 2.760 20 30 CFEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccc(C#N)cc2)C[C@H]1C ZINC000595346837 349607037 /nfs/dbraw/zinc/60/70/37/349607037.db2.gz MGYLJZRVSAFPIR-CRAIPNDOSA-N 2 0 285.435 2.905 20 30 CFEDRP CCC[N@H+](CCc1ccc(C#N)cc1)C1CC[NH2+]CC1 ZINC000595884592 349760535 /nfs/dbraw/zinc/76/05/35/349760535.db2.gz HPMHXPUVSZGILL-UHFFFAOYSA-N 2 0 271.408 2.565 20 30 CFEDRP CC[C@H]([NH2+]CCc1cccc(C#N)c1)[C@H]1CCCC[NH2+]1 ZINC000423112023 529607370 /nfs/dbraw/zinc/60/73/70/529607370.db2.gz XDWJDXNAZQJOKU-DLBZAZTESA-N 2 0 271.408 2.611 20 30 CFEDRP N#Cc1ccc(CC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000595895471 349764079 /nfs/dbraw/zinc/76/40/79/349764079.db2.gz NTGXUKZDFXCRNQ-MOPGFXCFSA-N 2 0 297.446 2.812 20 30 CFEDRP N#Cc1ccc(CC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000595895752 349764293 /nfs/dbraw/zinc/76/42/93/349764293.db2.gz UKONSEKYOHKBMT-QZTJIDSGSA-N 2 0 283.419 2.565 20 30 CFEDRP N#Cc1ccc(CC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000595895472 349764348 /nfs/dbraw/zinc/76/43/48/349764348.db2.gz NTGXUKZDFXCRNQ-OALUTQOASA-N 2 0 297.446 2.812 20 30 CFEDRP N#Cc1ccc(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000596650042 349968669 /nfs/dbraw/zinc/96/86/69/349968669.db2.gz HWCCIDBSERFAFB-ZWKOTPCHSA-N 2 0 277.371 2.835 20 30 CFEDRP C[C@@H](NC[C@H](C)C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309743301 348407419 /nfs/dbraw/zinc/40/74/19/348407419.db2.gz WSKHDMDQLOBBAF-INMHGKMJSA-N 2 0 271.408 2.646 20 30 CFEDRP C[C@H](C#N)CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309743302 348407457 /nfs/dbraw/zinc/40/74/57/348407457.db2.gz WSKHDMDQLOBBAF-VYDXJSESSA-N 2 0 271.408 2.646 20 30 CFEDRP N#Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000592470947 349126435 /nfs/dbraw/zinc/12/64/35/349126435.db2.gz PEPHALWGYWEPAC-SOUVJXGZSA-N 2 0 289.810 2.689 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)CC1(C)C ZINC000598982589 350354279 /nfs/dbraw/zinc/35/42/79/350354279.db2.gz KLWIHJWXPJPTFC-INIZCTEOSA-N 2 0 271.408 2.715 20 30 CFEDRP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000600713628 350599996 /nfs/dbraw/zinc/59/99/96/350599996.db2.gz JYYVDODGZRIVBZ-FQXVJMBOSA-N 2 0 283.419 2.731 20 30 CFEDRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602019331 350832921 /nfs/dbraw/zinc/83/29/21/350832921.db2.gz DVZFTUBNNKDVRZ-CYBMUJFWSA-N 2 0 275.371 2.519 20 30 CFEDRP C[C@H](CCC#N)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000602449430 350887271 /nfs/dbraw/zinc/88/72/71/350887271.db2.gz LTASKYMGMDVAQD-CQSZACIVSA-N 2 0 251.418 2.590 20 30 CFEDRP N#CC1CCC([NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000602692747 350981864 /nfs/dbraw/zinc/98/18/64/350981864.db2.gz YOXGBOIVZIOYJG-UHFFFAOYSA-N 2 0 254.337 2.506 20 30 CFEDRP N#CC1CCC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000602714082 350995615 /nfs/dbraw/zinc/99/56/15/350995615.db2.gz FVXOIOYHOKGEJJ-ARWYELJZSA-N 2 0 275.440 2.780 20 30 CFEDRP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC000602722199 351000381 /nfs/dbraw/zinc/00/03/81/351000381.db2.gz YRFZRHSLJJSIAY-HOCLYGCPSA-N 2 0 263.429 2.923 20 30 CFEDRP C[N@H+](CCCC[NH+]1CCCCC1)[C@H]1CC[C@H](C#N)C1 ZINC000603119801 351106630 /nfs/dbraw/zinc/10/66/30/351106630.db2.gz LSCHMEXARNHTJP-HOTGVXAUSA-N 2 0 263.429 2.877 20 30 CFEDRP N#CC1(CN2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000611429139 351687934 /nfs/dbraw/zinc/68/79/34/351687934.db2.gz OTTXNGUHYBCFDN-UHFFFAOYSA-N 2 0 275.440 2.878 20 30 CFEDRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611439420 351689986 /nfs/dbraw/zinc/68/99/86/351689986.db2.gz KCIYRXOZOYSBHT-SFHVURJKSA-N 2 0 281.403 2.787 20 30 CFEDRP C[C@@H](c1ccc(C#N)cc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152361948 188012408 /nfs/dbraw/zinc/01/24/08/188012408.db2.gz OTCROJUSXPGKOC-GOEBONIOSA-N 2 0 271.408 2.893 20 30 CFEDRP N#Cc1cccc(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000423097212 238200759 /nfs/dbraw/zinc/20/07/59/238200759.db2.gz JEHSHLKUQSDUET-MSOLQXFVSA-N 2 0 277.371 2.835 20 30 CFEDRP C=CC[N@@H+](Cc1ccc(OC)cc1)CC1CC[NH2+]CC1 ZINC000178961185 189158073 /nfs/dbraw/zinc/15/80/73/189158073.db2.gz DFMYMGGVGKBMFT-UHFFFAOYSA-N 2 0 274.408 2.683 20 30 CFEDRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc(C#N)cc1F ZINC000423278731 238336937 /nfs/dbraw/zinc/33/69/37/238336937.db2.gz QMQLUNUYADFRGI-RBOXIYTFSA-N 2 0 275.371 2.865 20 30 CFEDRP C=CC[N@@H+](CCc1ccccc1)Cc1cnc(C)n1C ZINC000667557518 541256012 /nfs/dbraw/zinc/25/60/12/541256012.db2.gz XYMROBQRXNWAJH-UHFFFAOYSA-N 2 0 269.392 2.959 20 30 CFEDRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)c(C)c2)C1 ZINC000443959901 241097883 /nfs/dbraw/zinc/09/78/83/241097883.db2.gz FNAUDOXZYMLBFU-MRXNPFEDSA-N 2 0 271.408 2.688 20 30 CFEDRP CC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000264110316 383697066 /nfs/dbraw/zinc/69/70/66/383697066.db2.gz OPFSVJHNEDZOGK-HOCLYGCPSA-N 2 0 288.439 2.526 20 30 CFEDRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(C#N)c1 ZINC000093515678 375261679 /nfs/dbraw/zinc/26/16/79/375261679.db2.gz MGEQQNUGKYCFMB-PBHICJAKSA-N 2 0 271.408 2.959 20 30 CFEDRP CCc1cccc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000104174480 375771979 /nfs/dbraw/zinc/77/19/79/375771979.db2.gz BIBADFZDVVHHBC-AWEZNQCLSA-N 2 0 288.439 2.708 20 30 CFEDRP C=CCC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC1 ZINC000121255236 376791030 /nfs/dbraw/zinc/79/10/30/376791030.db2.gz FJMAXCLKLPUAPH-YJBOKZPZSA-N 2 0 292.467 2.822 20 30 CFEDRP CC#CCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000156941692 378647484 /nfs/dbraw/zinc/64/74/84/378647484.db2.gz GZQIFJCICXKWKP-UHFFFAOYSA-N 2 0 262.441 2.988 20 30 CFEDRP C#CCOc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000278498171 194011767 /nfs/dbraw/zinc/01/17/67/194011767.db2.gz NDRRDVSLGMLSDX-UHFFFAOYSA-N 2 0 298.430 2.663 20 30 CFEDRP CC#CCC[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000168237550 379083296 /nfs/dbraw/zinc/08/32/96/379083296.db2.gz LHAQKMQRYPZBGO-KRWDZBQOSA-N 2 0 256.393 2.654 20 30 CFEDRP C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000180542440 380674671 /nfs/dbraw/zinc/67/46/71/380674671.db2.gz NZOHOJFBRVBXMH-YCPHGPKFSA-N 2 0 299.418 2.865 20 30 CFEDRP C=C[C@H](CO)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000289607494 381065081 /nfs/dbraw/zinc/06/50/81/381065081.db2.gz CWYSXJOXDBSGJC-WWDZGPRUSA-N 2 0 288.435 2.566 20 30 CFEDRP C=C[C@@H](CO)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000289607492 381066546 /nfs/dbraw/zinc/06/65/46/381066546.db2.gz CWYSXJOXDBSGJC-AOCRQIFASA-N 2 0 288.435 2.566 20 30 CFEDRP C=C(C)C[NH+](CC)CC1(C[N@H+](CC)CC(=C)C)COC1 ZINC000360004679 381722694 /nfs/dbraw/zinc/72/26/94/381722694.db2.gz PPTAQXLMTCXKKT-UHFFFAOYSA-N 2 0 280.456 2.799 20 30 CFEDRP C=CCCCCC[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000373241413 381958099 /nfs/dbraw/zinc/95/80/99/381958099.db2.gz FWHCQJZLMWKKFL-GOSISDBHSA-N 2 0 293.499 2.692 20 30 CFEDRP C#CCC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000362454860 382079942 /nfs/dbraw/zinc/07/99/42/382079942.db2.gz VRDRROZDRXNABJ-INIZCTEOSA-N 2 0 262.441 2.986 20 30 CFEDRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000574778907 335046959 /nfs/dbraw/zinc/04/69/59/335046959.db2.gz VHJQOZUQVANAFI-AWEZNQCLSA-N 2 0 251.418 2.731 20 30 CFEDRP CC#CCC[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000376374216 382132581 /nfs/dbraw/zinc/13/25/81/382132581.db2.gz CJDGFILFRZLACC-OAHLLOKOSA-N 2 0 260.425 2.596 20 30 CFEDRP N#CCCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000309683110 382491445 /nfs/dbraw/zinc/49/14/45/382491445.db2.gz BAERLSRXPCEXIJ-OKZBNKHCSA-N 2 0 283.419 2.790 20 30 CFEDRP C=CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000358292071 382551133 /nfs/dbraw/zinc/55/11/33/382551133.db2.gz GXHMSLDGVIJRBV-RCCFBDPRSA-N 2 0 292.467 2.699 20 30 CFEDRP C=C[C@H](C)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000358304324 382557906 /nfs/dbraw/zinc/55/79/06/382557906.db2.gz RRHHFPXZRAVCQM-UONOGXRCSA-N 2 0 262.397 2.852 20 30 CFEDRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(CCC#N)CC1 ZINC000399433619 382638963 /nfs/dbraw/zinc/63/89/63/382638963.db2.gz ZRFIRBKLODZTSJ-INIZCTEOSA-N 2 0 263.429 2.877 20 30 CFEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442713764 382947881 /nfs/dbraw/zinc/94/78/81/382947881.db2.gz WXHCUEUHQQCHMH-OWCLPIDISA-N 2 0 263.429 2.923 20 30 CFEDRP N#C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)C1 ZINC000442774681 382954107 /nfs/dbraw/zinc/95/41/07/382954107.db2.gz FELJLAIGSKTUTI-DOTOQJQBSA-N 2 0 275.440 2.923 20 30 CFEDRP C[NH+](C)CC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C(C)(C)C ZINC000442776851 382954303 /nfs/dbraw/zinc/95/43/03/382954303.db2.gz DVAVQSGXHJTUEE-RDBSUJKOSA-N 2 0 251.418 2.635 20 30 CFEDRP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000442776633 382954498 /nfs/dbraw/zinc/95/44/98/382954498.db2.gz CCMCUADEHWNEAR-GUDVDZBRSA-N 2 0 297.446 2.833 20 30 CFEDRP C[C@H]1C[C@@H](NCC2(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000578398183 382917288 /nfs/dbraw/zinc/91/72/88/382917288.db2.gz GBWHSHZWACKANY-RDJZCZTQSA-N 2 0 283.419 2.933 20 30 CFEDRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCSCc1ccccc1C#N ZINC000422986127 382998214 /nfs/dbraw/zinc/99/82/14/382998214.db2.gz GJPMXTGCZONXCI-OLZOCXBDSA-N 2 0 277.437 2.507 20 30 CFEDRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(C#N)cc1F ZINC000423472344 383109585 /nfs/dbraw/zinc/10/95/85/383109585.db2.gz NENIGPYUWCEMFG-FPMFFAJLSA-N 2 0 275.371 2.865 20 30 CFEDRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc(C#N)c(F)c1 ZINC000423472199 383109693 /nfs/dbraw/zinc/10/96/93/383109693.db2.gz MYKOUFGWCNCTLU-HUBLWGQQSA-N 2 0 275.371 2.865 20 30 CFEDRP CC1=CCN(CC[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449241708 383186316 /nfs/dbraw/zinc/18/63/16/383186316.db2.gz CEVCVKPVUUDDSU-UHFFFAOYSA-N 2 0 261.413 2.700 20 30 CFEDRP C=CCC[C@H](O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000247680100 383190685 /nfs/dbraw/zinc/19/06/85/383190685.db2.gz ZPALJJFKTKLWEI-BZSNNMDCSA-N 2 0 294.483 2.900 20 30 CFEDRP C[NH+](C)CC(C)(C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449063256 383157722 /nfs/dbraw/zinc/15/77/22/383157722.db2.gz OHIRAIJUYBFISP-UHFFFAOYSA-N 2 0 251.418 2.636 20 30 CFEDRP C=CCCCC[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000449079669 383164979 /nfs/dbraw/zinc/16/49/79/383164979.db2.gz ZUDXKDJWOKETQW-INIZCTEOSA-N 2 0 281.488 2.737 20 30 CFEDRP N#CCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000520231312 383252636 /nfs/dbraw/zinc/25/26/36/383252636.db2.gz SNSKFJYSTMFZQM-FGTMMUONSA-N 2 0 283.419 2.763 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCCC[NH+](C)C)cc1 ZINC000268877458 384682442 /nfs/dbraw/zinc/68/24/42/384682442.db2.gz DYVUSGXYEHKTBS-OAHLLOKOSA-N 2 0 274.408 2.691 20 30 CFEDRP C=CCCC[C@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638837653 384970271 /nfs/dbraw/zinc/97/02/71/384970271.db2.gz WOLNAIDRUGTCQP-AWEZNQCLSA-N 2 0 268.445 2.556 20 30 CFEDRP C#C[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289110012 197236930 /nfs/dbraw/zinc/23/69/30/197236930.db2.gz CSHJAIAXTFGCDQ-ZMSDIMECSA-N 2 0 256.393 2.508 20 30 CFEDRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000271938645 385405537 /nfs/dbraw/zinc/40/55/37/385405537.db2.gz ODUOAMWDGKHEMT-CHWSQXEVSA-N 2 0 275.371 2.690 20 30 CFEDRP C=CCC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000338540891 393789741 /nfs/dbraw/zinc/78/97/41/393789741.db2.gz PRMXVNGKYKWBBF-IAGOWNOFSA-N 2 0 256.393 2.626 20 30 CFEDRP C[N@H+](CCCC#N)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820973 393793238 /nfs/dbraw/zinc/79/32/38/393793238.db2.gz OUPPYVPDBJHBKD-UHFFFAOYSA-N 2 0 286.423 2.924 20 30 CFEDRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[C@H](C#N)C1 ZINC000339059620 393813991 /nfs/dbraw/zinc/81/39/91/393813991.db2.gz GHCPHIVLXMYWPH-WMZOPIPTSA-N 2 0 298.434 2.922 20 30 CFEDRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353254541 394027473 /nfs/dbraw/zinc/02/74/73/394027473.db2.gz MABSXPOGUFSCOK-OCBCSQNSSA-N 2 0 281.403 2.618 20 30 CFEDRP C=CCOc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)c1 ZINC000647498246 395362882 /nfs/dbraw/zinc/36/28/82/395362882.db2.gz DBINTGLOYGDFRX-WBVHZDCISA-N 2 0 274.408 2.811 20 30 CFEDRP C(#CC[NH2+]C1(C2CCC2)CC1)C[NH2+]C1(C2CCC2)CC1 ZINC000649810648 395573759 /nfs/dbraw/zinc/57/37/59/395573759.db2.gz TWRNOMOZDHBTRH-UHFFFAOYSA-N 2 0 272.436 2.834 20 30 CFEDRP C=CCOCCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000348027802 397657695 /nfs/dbraw/zinc/65/76/95/397657695.db2.gz GKTKGPJQWWBEHT-HOTGVXAUSA-N 2 0 280.456 2.822 20 30 CFEDRP C[NH+](C)CC1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000344848257 162133025 /nfs/dbraw/zinc/13/30/25/162133025.db2.gz PERKEMNUSSGFJR-UHFFFAOYSA-N 2 0 289.398 2.907 20 30 CFEDRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000346218446 162354881 /nfs/dbraw/zinc/35/48/81/162354881.db2.gz UIJXKTNXOMGCNQ-GFCCVEGCSA-N 2 0 275.371 2.690 20 30 CFEDRP C[N@@H+]1CC[C@@]2(C1)CCCN(CC#Cc1ccc(F)cc1)C2 ZINC000660659067 413477368 /nfs/dbraw/zinc/47/73/68/413477368.db2.gz KCDKVDHPIHEGFI-GOSISDBHSA-N 2 0 286.394 2.595 20 30 CFEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CCCOC)CC2)C1 ZINC000651695683 413573445 /nfs/dbraw/zinc/57/34/45/413573445.db2.gz ULCBLISACXPUKI-NVXWUHKLSA-N 2 0 280.456 2.822 20 30 CFEDRP C=CC[C@@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000661387821 413943820 /nfs/dbraw/zinc/94/38/20/413943820.db2.gz ZTTIRHFOMXAPMM-GOSISDBHSA-N 2 0 293.499 2.691 20 30 CFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000657871666 414018006 /nfs/dbraw/zinc/01/80/06/414018006.db2.gz WJTDAHOJZHLNRR-KSZLIROESA-N 2 0 293.499 2.594 20 30 CFEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000658026444 414110371 /nfs/dbraw/zinc/11/03/71/414110371.db2.gz UOLXHMSDSCPZPQ-BRWVUGGUSA-N 2 0 280.456 2.558 20 30 CFEDRP C=CCCC[C@@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325343 414506622 /nfs/dbraw/zinc/50/66/22/414506622.db2.gz MBUSQOMJZGBYKU-CVEARBPZSA-N 2 0 268.445 2.774 20 30 CFEDRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000044535002 175199150 /nfs/dbraw/zinc/19/91/50/175199150.db2.gz TZCCZCSSZDAOHU-DZGCQCFKSA-N 2 0 257.381 2.551 20 30 CFEDRP N#C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000192700034 227266575 /nfs/dbraw/zinc/26/65/75/227266575.db2.gz XAXHKRCRWGEROP-GDBMZVCRSA-N 2 0 261.413 2.533 20 30 CFEDRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449095120 260211132 /nfs/dbraw/zinc/21/11/32/260211132.db2.gz WIXYNMDQTJPFRX-FHERZECASA-N 2 0 263.429 2.780 20 30 CFEDRP C(#Cc1ccccc1)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248915370 261217179 /nfs/dbraw/zinc/21/71/79/261217179.db2.gz ZNPSRPVYZZVWBC-AZUAARDMSA-N 2 0 294.442 2.987 20 30 CFEDRP C=C(C)CNC(=[NH2+])NCc1ccc(C[NH+](CC)CC)cc1 ZINC000264138984 262879448 /nfs/dbraw/zinc/87/94/48/262879448.db2.gz VWCUEVNIQZQJIN-UHFFFAOYSA-N 2 0 288.439 2.509 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414932150 263137799 /nfs/dbraw/zinc/13/77/99/263137799.db2.gz VMEHPICCNRKJGY-GJZGRUSLSA-N 2 0 260.381 2.611 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1Cl ZINC000414954412 263159751 /nfs/dbraw/zinc/15/97/51/263159751.db2.gz KQELZFQJPCVFIJ-WFASDCNBSA-N 2 0 294.826 2.992 20 30 CFEDRP C=CCOc1cccc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414987879 263184790 /nfs/dbraw/zinc/18/47/90/263184790.db2.gz FDEDVUIUUOFBIR-HOCLYGCPSA-N 2 0 274.408 2.859 20 30 CFEDRP N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000297499616 263205501 /nfs/dbraw/zinc/20/55/01/263205501.db2.gz LHARLDNJPHILCC-GXTWGEPZSA-N 2 0 254.337 2.506 20 30 CFEDRP C=CC[C@H](CO)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000341891071 263363891 /nfs/dbraw/zinc/36/38/91/263363891.db2.gz UYWSYTFFVLCUHR-XYJFISCASA-N 2 0 294.483 2.804 20 30 CFEDRP C(#CC[N@@H+]1CCCC2(CC2)C1)C[NH+]1CCCC2(CC2)C1 ZINC000341902823 263365218 /nfs/dbraw/zinc/36/52/18/263365218.db2.gz NYZRRZLHUJZWTN-UHFFFAOYSA-N 2 0 272.436 2.742 20 30 CFEDRP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000515124131 267221647 /nfs/dbraw/zinc/22/16/47/267221647.db2.gz YMNANXRNIYCBDG-RDJZCZTQSA-N 2 0 271.408 2.941 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])CC2 ZINC000423281679 274926961 /nfs/dbraw/zinc/92/69/61/274926961.db2.gz UJGMUKAYVUFBGV-BHYGNILZSA-N 2 0 269.392 2.653 20 30 CFEDRP C[NH+]1CCC2(CCC[N@H+](CC#Cc3ccccc3)C2)CC1 ZINC000367200046 277036347 /nfs/dbraw/zinc/03/63/47/277036347.db2.gz MRYDUIHTQLRCDO-UHFFFAOYSA-N 2 0 282.431 2.846 20 30 CFEDRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000423441137 278227502 /nfs/dbraw/zinc/22/75/02/278227502.db2.gz UIKJZIOEGPFMGA-BLLLJJGKSA-N 2 0 257.381 2.653 20 30 CFEDRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423265227 278348286 /nfs/dbraw/zinc/34/82/86/278348286.db2.gz ZSNQZRHJHSLZFO-HIFRSBDPSA-N 2 0 257.381 2.599 20 30 CFEDRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423265228 278348598 /nfs/dbraw/zinc/34/85/98/278348598.db2.gz ZSNQZRHJHSLZFO-UKRRQHHQSA-N 2 0 257.381 2.599 20 30 CFEDRP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(C#N)cc1 ZINC000423374169 288090401 /nfs/dbraw/zinc/09/04/01/288090401.db2.gz HXGJMMAYQNEJPY-KCXAZCMYSA-N 2 0 257.381 2.739 20 30 CFEDRP CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000447560807 280186000 /nfs/dbraw/zinc/18/60/00/280186000.db2.gz FSGHCDDWYPTHKZ-QGZVFWFLSA-N 2 0 271.408 2.941 20 30 CFEDRP C=CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)c1ccccc1 ZINC000571341090 328112649 /nfs/dbraw/zinc/11/26/49/328112649.db2.gz ZQXQJPUUODCWAD-IAGOWNOFSA-N 2 0 276.424 2.596 20 30 CFEDRP C[NH+](C)CC1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CCCC1 ZINC000185899577 329334745 /nfs/dbraw/zinc/33/47/45/329334745.db2.gz DOKYHCGAAQZHAU-LSDHHAIUSA-N 2 0 263.429 2.780 20 30 CFEDRP C=CCCCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000568950660 327025220 /nfs/dbraw/zinc/02/52/20/327025220.db2.gz AVIHDHRFPDFAIY-ARFHVFGLSA-N 2 0 266.429 2.526 20 30 CFEDRP C#CCCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000177588634 329187801 /nfs/dbraw/zinc/18/78/01/329187801.db2.gz RIBPCSORVXVHHH-UHFFFAOYSA-N 2 0 299.462 2.720 20 30 CFEDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185821694 329329998 /nfs/dbraw/zinc/32/99/98/329329998.db2.gz VKOJDEXGOMKSAE-HRCADAONSA-N 2 0 263.429 2.779 20 30 CFEDRP C[NH+](C)CCC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000191957791 329422794 /nfs/dbraw/zinc/42/27/94/329422794.db2.gz YKZSKBMLVRZLQC-UHFFFAOYSA-N 2 0 270.420 2.702 20 30 CFEDRP C=CC[NH+](CC=C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000422825957 330156491 /nfs/dbraw/zinc/15/64/91/330156491.db2.gz BFGOGATYNYVSOE-UJJTZGENSA-N 2 0 291.483 2.558 20 30 CFEDRP C=CC[C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422983939 330162707 /nfs/dbraw/zinc/16/27/07/330162707.db2.gz VXXWLTUHSBMVJL-YSVLISHTSA-N 2 0 272.392 2.797 20 30 CFEDRP C=C(C)C[NH+]1CCC(N[C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000422982753 330162759 /nfs/dbraw/zinc/16/27/59/330162759.db2.gz XUYZDLRDNNAKBB-SJLPKXTDSA-N 2 0 293.499 2.927 20 30 CFEDRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000423157622 330173394 /nfs/dbraw/zinc/17/33/94/330173394.db2.gz MTNLAAMJNIAPLU-UGUYLWEFSA-N 2 0 263.429 2.969 20 30 CFEDRP CC(C)[C@H]([NH3+])C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423264192 330184188 /nfs/dbraw/zinc/18/41/88/330184188.db2.gz BROHSQXQPZBDAL-LXPRWKDFSA-N 2 0 285.435 2.963 20 30 CFEDRP C[C@H](C[NH3+])C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423310291 330189462 /nfs/dbraw/zinc/18/94/62/330189462.db2.gz RRWUWHQUISXANJ-ODIFPOPNSA-N 2 0 271.408 2.575 20 30 CFEDRP C=CCCCC[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423518267 330209641 /nfs/dbraw/zinc/20/96/41/330209641.db2.gz ZKPWFUDADKVCOG-AOCRQIFASA-N 2 0 293.499 2.927 20 30 CFEDRP CC[NH+](CC)CCOC1CC[NH+](CC2(C#N)CCC2)CC1 ZINC000450457023 330772229 /nfs/dbraw/zinc/77/22/29/330772229.db2.gz ZLPBDRMAZWVROZ-UHFFFAOYSA-N 2 0 293.455 2.503 20 30 CFEDRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000442712601 330780354 /nfs/dbraw/zinc/78/03/54/330780354.db2.gz UZJVALKBNYRANP-XJKSGUPXSA-N 2 0 257.381 2.530 20 30 CFEDRP CC1CC[NH+](CCCC[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442717787 330780585 /nfs/dbraw/zinc/78/05/85/330780585.db2.gz OGPJEBNVBZSKLA-HZPDHXFCSA-N 2 0 263.429 2.780 20 30 CFEDRP CC(C)[NH+](CCC[NH2+][C@@H]1CC[C@@H](C#N)C1)C(C)C ZINC000442797133 330784478 /nfs/dbraw/zinc/78/44/78/330784478.db2.gz VCLYZHFOQOKTLR-HUUCEWRRSA-N 2 0 251.418 2.777 20 30 CFEDRP C=CCCCC[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000453106037 331089671 /nfs/dbraw/zinc/08/96/71/331089671.db2.gz YHYHJWZYYIUYBG-QGZVFWFLSA-N 2 0 281.488 2.739 20 30 CFEDRP C#C[C@H](CC)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309787082 333049481 /nfs/dbraw/zinc/04/94/81/333049481.db2.gz NIJMCAGQSGIMNH-BPQIPLTHSA-N 2 0 270.420 2.898 20 30 CFEDRP C=CCC[C@@H](CCC)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186588217 333163336 /nfs/dbraw/zinc/16/33/36/333163336.db2.gz GGXSBXJVTWSBHF-IAGOWNOFSA-N 2 0 281.488 2.737 20 30 CFEDRP C=CC[NH+]1CCC(Nc2nccc3cc(F)ccc32)CC1 ZINC000581127748 336011837 /nfs/dbraw/zinc/01/18/37/336011837.db2.gz GWRBRUMMBPPMKB-UHFFFAOYSA-N 2 0 285.366 2.858 20 30 CFEDRP C=CCOc1cccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000347197894 526897786 /nfs/dbraw/zinc/89/77/86/526897786.db2.gz IGXMXOOBSDWAHR-GDBMZVCRSA-N 2 0 274.408 2.811 20 30 CFEDRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)c(C)c2)C1 ZINC000443971904 534946422 /nfs/dbraw/zinc/94/64/22/534946422.db2.gz WXDJIAKLUICVBA-INIZCTEOSA-N 2 0 271.408 2.688 20 30 CFEDRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(OCC#N)cc1 ZINC000044533686 618026879 /nfs/dbraw/zinc/02/68/79/618026879.db2.gz LMQAHHYKRSLIOP-GJZGRUSLSA-N 2 0 287.407 2.581 20 30 CFEDRP CC(C)C[N@@H+]1CCC[C@H](CNC(=[NH2+])NC2CCCCC2)C1 ZINC000157385340 618174988 /nfs/dbraw/zinc/17/49/88/618174988.db2.gz DWRKVERWQDJOJC-OAHLLOKOSA-N 2 0 294.487 2.591 20 30 CFEDRP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1C#N ZINC000925615050 618317122 /nfs/dbraw/zinc/31/71/22/618317122.db2.gz DTVDRLBQUHTLCX-GJZGRUSLSA-N 2 0 287.407 2.562 20 30 CFEDRP CC1(C)[C@H]([NH2+]CC2CCC(C#N)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925655643 618410944 /nfs/dbraw/zinc/41/09/44/618410944.db2.gz SXCMLSDWGADPRZ-MTERUZRBSA-N 2 0 275.440 2.683 20 30 CFEDRP C[C@H](CCC#N)C[N@@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000895382070 618560602 /nfs/dbraw/zinc/56/06/02/618560602.db2.gz ZKJAFTAGPQSPSZ-PMPSAXMXSA-N 2 0 265.445 2.978 20 30 CFEDRP C#CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000893239994 618900288 /nfs/dbraw/zinc/90/02/88/618900288.db2.gz WNWAYWDGFLMUDB-HQSKLWIPSA-N 2 0 268.404 2.966 20 30 CFEDRP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1C#N ZINC000925841879 619175115 /nfs/dbraw/zinc/17/51/15/619175115.db2.gz UIZBQVWZCZWWDH-JKSUJKDBSA-N 2 0 271.408 2.862 20 30 CFEDRP Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1C#N ZINC000925841876 619175195 /nfs/dbraw/zinc/17/51/95/619175195.db2.gz UIZBQVWZCZWWDH-CVEARBPZSA-N 2 0 271.408 2.862 20 30 CFEDRP C=CCOc1ccccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262076742 619490347 /nfs/dbraw/zinc/49/03/47/619490347.db2.gz SPLFUTCZLNTNBT-UHFFFAOYSA-N 2 0 286.419 2.827 20 30 CFEDRP C[C@@H](CCC#N)C[NH2+][C@H](CCN(C)C)c1cccnc1 ZINC000896724255 619794789 /nfs/dbraw/zinc/79/47/89/619794789.db2.gz VYAXWWBUWKKTAN-GOEBONIOSA-N 2 0 274.412 2.604 20 30 CFEDRP CCCCCCNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000303894996 619981723 /nfs/dbraw/zinc/98/17/23/619981723.db2.gz PHGWPIQGPHUWSH-LSDHHAIUSA-N 2 0 282.476 2.734 20 30 CFEDRP N#CC1(c2ccccc2)CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000902476880 621087387 /nfs/dbraw/zinc/08/73/87/621087387.db2.gz REGHJFBLAZTKCR-FRPQEJHRSA-N 2 0 295.430 2.873 20 30 CFEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902483781 621110406 /nfs/dbraw/zinc/11/04/06/621110406.db2.gz BOFZUCLTRRYKBB-FRFSOERESA-N 2 0 269.392 2.653 20 30 CFEDRP CC[C@H]([NH2+][C@H](C)CC[NH+](C)C)c1cccc(C#N)c1 ZINC000902780728 621172375 /nfs/dbraw/zinc/17/23/75/621172375.db2.gz QSOWPVAXWJKUKY-CJNGLKHVSA-N 2 0 259.397 2.939 20 30 CFEDRP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000903420935 621378431 /nfs/dbraw/zinc/37/84/31/621378431.db2.gz GYEHQNFNKWDLNZ-OAHLLOKOSA-N 2 0 271.408 2.607 20 30 CFEDRP N#CC1CCC(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000903444962 621384192 /nfs/dbraw/zinc/38/41/92/621384192.db2.gz GRSMVWOUGKVCBJ-BHUNQDJPSA-N 2 0 275.440 2.780 20 30 CFEDRP CC[C@H]1C[N@H+](CCCCC2(C#N)CCC2)CC[C@H]1[NH3+] ZINC000903746350 621431750 /nfs/dbraw/zinc/43/17/50/621431750.db2.gz GCEQEUMGIMFQSO-LSDHHAIUSA-N 2 0 263.429 2.910 20 30 CFEDRP C[C@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1cccc(C#N)c1 ZINC000903950383 621487181 /nfs/dbraw/zinc/48/71/81/621487181.db2.gz MOUAOMDTUSPUEO-IPYPFGDCSA-N 2 0 257.381 2.597 20 30 CFEDRP C=CCOc1ccccc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904410918 621591850 /nfs/dbraw/zinc/59/18/50/621591850.db2.gz HLKQIZXOISPDOZ-LSDHHAIUSA-N 2 0 274.408 2.668 20 30 CFEDRP CCCCCCCC[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000911725190 622541614 /nfs/dbraw/zinc/54/16/14/622541614.db2.gz JJQPWZQKIBHOEY-PMPSAXMXSA-N 2 0 297.487 2.569 20 30 CFEDRP C=CCCCC[C@H](C)[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000823825039 623400702 /nfs/dbraw/zinc/40/07/02/623400702.db2.gz FAMIYZIJRWEPLV-ARFHVFGLSA-N 2 0 266.429 2.574 20 30 CFEDRP C=CCCCC[C@H](C)[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000823825042 623401059 /nfs/dbraw/zinc/40/10/59/623401059.db2.gz FAMIYZIJRWEPLV-XHSDSOJGSA-N 2 0 266.429 2.574 20 30 CFEDRP C#CCOc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000834890492 625911256 /nfs/dbraw/zinc/91/12/56/625911256.db2.gz KLMMTKLRQUEBRV-OAHLLOKOSA-N 2 0 286.419 2.519 20 30 CFEDRP C#CCOc1ccccc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000839181350 626529855 /nfs/dbraw/zinc/52/98/55/626529855.db2.gz HNCIWPLAGOFPIY-MRXNPFEDSA-N 2 0 286.419 2.520 20 30 CFEDRP C#CCOc1ccccc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000839181199 626529969 /nfs/dbraw/zinc/52/99/69/626529969.db2.gz HNCIWPLAGOFPIY-INIZCTEOSA-N 2 0 286.419 2.520 20 30 CFEDRP C#CCCC[N@@H+](C)[C@H]1CCC[NH+](CCCC#C)CC1 ZINC000766935862 627227868 /nfs/dbraw/zinc/22/78/68/627227868.db2.gz QWRYRPOCJNVGIM-KRWDZBQOSA-N 2 0 260.425 2.600 20 30 CFEDRP C#CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000796816886 629971605 /nfs/dbraw/zinc/97/16/05/629971605.db2.gz NBLJLGSGNUEUFU-KURKYZTESA-N 2 0 298.430 2.661 20 30 CFEDRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1C#N ZINC000796836683 629976458 /nfs/dbraw/zinc/97/64/58/629976458.db2.gz KKHCFTYJEUVPDQ-ZACQAIPSSA-N 2 0 299.418 2.529 20 30 CFEDRP CCCCCCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000852760472 634826972 /nfs/dbraw/zinc/82/69/72/634826972.db2.gz GHOMIPWXPVNTAQ-INIZCTEOSA-N 2 0 270.461 2.999 20 30 CFEDRP CCCO[NH+]=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000842558283 631052163 /nfs/dbraw/zinc/05/21/63/631052163.db2.gz WFRXIQCXKNGBJZ-UHFFFAOYSA-N 2 0 289.423 2.978 20 30 CFEDRP C#Cc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000809652824 631256174 /nfs/dbraw/zinc/25/61/74/631256174.db2.gz MRAAKSIHATUHGH-UHFFFAOYSA-N 2 0 270.420 2.880 20 30 CFEDRP C[C@@H]([NH2+]CCCCCC[NH3+])c1ccc(C#N)cc1F ZINC000843341624 631932227 /nfs/dbraw/zinc/93/22/27/631932227.db2.gz KNSHVBFOXOSPQK-GFCCVEGCSA-N 2 0 263.360 2.867 20 30 CFEDRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1C#N ZINC000817915731 632731932 /nfs/dbraw/zinc/73/19/32/632731932.db2.gz QNDBATXEWWXPKT-IXDOHACOSA-N 2 0 299.418 2.577 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000817946866 632748792 /nfs/dbraw/zinc/74/87/92/632748792.db2.gz GRHSNBRTXXXZTC-YQQAZPJKSA-N 2 0 286.419 2.737 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000817965369 632763788 /nfs/dbraw/zinc/76/37/88/632763788.db2.gz SUXNMFCSZMYLSZ-OAHLLOKOSA-N 2 0 286.419 2.739 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000817970145 632768474 /nfs/dbraw/zinc/76/84/74/632768474.db2.gz MQHDHYGLKVQDTL-CWRNSKLLSA-N 2 0 272.392 2.619 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000817980422 632777223 /nfs/dbraw/zinc/77/72/23/632777223.db2.gz LDRMBCSQOXRBOE-NVXWUHKLSA-N 2 0 286.419 2.881 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000817984908 632781096 /nfs/dbraw/zinc/78/10/96/632781096.db2.gz BXCUQZDVFJNOCD-XOYOTBSWSA-N 2 0 298.430 2.737 20 30 CFEDRP N#CCC[C@H](C#N)C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000819142807 632983366 /nfs/dbraw/zinc/98/33/66/632983366.db2.gz RCHPIYHHRLFRAG-KLAILNCOSA-N 2 0 288.439 2.817 20 30 CFEDRP CCCCCCCCNC(=[NH2+])NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000849049005 633480298 /nfs/dbraw/zinc/48/02/98/633480298.db2.gz LGWNNHAMPLZLPE-GASCZTMLSA-N 2 0 282.476 2.801 20 30 CFEDRP C#CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000113340205 635554755 /nfs/dbraw/zinc/55/47/55/635554755.db2.gz QAZCFZLMAHFZKH-QGZVFWFLSA-N 2 0 286.419 2.520 20 30 CFEDRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(OCC#N)cc1 ZINC000873272561 642113557 /nfs/dbraw/zinc/11/35/57/642113557.db2.gz UWGFSPKBEXJMPG-KGLIPLIRSA-N 2 0 287.407 2.628 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)C1CC[NH2+]CC1 ZINC000873273293 642114423 /nfs/dbraw/zinc/11/44/23/642114423.db2.gz ZZMPJQITHQKUJS-YVEFUNNKSA-N 2 0 269.392 2.523 20 30 CFEDRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000873276539 642115198 /nfs/dbraw/zinc/11/51/98/642115198.db2.gz UVGRBQDVWGVPGH-ZMYBRWDISA-N 2 0 297.446 2.926 20 30 CFEDRP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000873276110 642115274 /nfs/dbraw/zinc/11/52/74/642115274.db2.gz QVIMIUTVJBKBDC-YDZRNGNQSA-N 2 0 295.430 2.536 20 30 CFEDRP C=CC(C)(C)CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000873278898 642115852 /nfs/dbraw/zinc/11/58/52/642115852.db2.gz ABOINFXCJORUIY-RRFJBIMHSA-N 2 0 250.430 2.957 20 30 CFEDRP C#CCCCCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000878034425 643703483 /nfs/dbraw/zinc/70/34/83/643703483.db2.gz NWWKKVVJJKXUPV-UHFFFAOYSA-N 2 0 250.430 2.985 20 30 CFEDRP C#CCCCCC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000878162613 643768761 /nfs/dbraw/zinc/76/87/61/643768761.db2.gz HRRNIFHYMNWYJY-HZPDHXFCSA-N 2 0 250.430 2.985 20 30 CFEDRP C#CCCCCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000878257162 643811520 /nfs/dbraw/zinc/81/15/20/643811520.db2.gz FOOMLMVPZPCKNI-HOTGVXAUSA-N 2 0 250.430 2.842 20 30 CFEDRP C#CCCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000878654905 643977620 /nfs/dbraw/zinc/97/76/20/643977620.db2.gz DBJJYVBHIKBWQZ-JWTNVVGKSA-N 2 0 292.467 2.754 20 30 CFEDRP CC[C@H](C)NC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000303253882 650991524 /nfs/dbraw/zinc/99/15/24/650991524.db2.gz DFADUTVSSLSOPC-LSDHHAIUSA-N 2 0 282.476 2.590 20 30 CFEDRP CCC(CC)[C@H](CNC(=[NH2+])N[C@H](C)CC)[NH+]1CCCC1 ZINC000303265904 650992130 /nfs/dbraw/zinc/99/21/30/650992130.db2.gz VEUAJSAYHWGSLH-HIFRSBDPSA-N 2 0 282.476 2.590 20 30 CFEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000303699309 650999204 /nfs/dbraw/zinc/99/92/04/650999204.db2.gz GWGDGZMDIZSPJP-UHFFFAOYSA-N 2 0 276.428 2.878 20 30 CFEDRP CCCCNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000303780140 651002431 /nfs/dbraw/zinc/00/24/31/651002431.db2.gz LBVGAJJUGLAECU-OAHLLOKOSA-N 2 0 282.476 2.591 20 30 CFEDRP Cc1cccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000303890098 651006234 /nfs/dbraw/zinc/00/62/34/651006234.db2.gz PXIBJOCAGFBPDI-OAHLLOKOSA-N 2 0 288.439 2.842 20 30 CFEDRP CC(C)c1cccc(NC(=[NH2+])NC[C@@H](C2CC2)[NH+](C)C)c1 ZINC000303889096 651006602 /nfs/dbraw/zinc/00/66/02/651006602.db2.gz PGNPHPOYJBETTJ-INIZCTEOSA-N 2 0 288.439 2.877 20 30 CFEDRP Cc1cc(C)cc(NC(=[NH2+])NCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000303895312 651007146 /nfs/dbraw/zinc/00/71/46/651007146.db2.gz PHYAENHXFAPKEC-ZDUSSCGKSA-N 2 0 288.439 2.762 20 30 CFEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@@H](C)[N@H+](C)C1CC1 ZINC000303971980 651010683 /nfs/dbraw/zinc/01/06/83/651010683.db2.gz FGTNCIGYCOACTG-ZIAGYGMSSA-N 2 0 282.476 2.588 20 30 CFEDRP CC[N@H+](CCNC(=[NH2+])Nc1ccc2c(c1)CCC2)C(C)C ZINC000303990097 651011354 /nfs/dbraw/zinc/01/13/54/651011354.db2.gz YFMLFTGXFIHSKM-UHFFFAOYSA-N 2 0 288.439 2.632 20 30 CFEDRP C=CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCO1 ZINC000883171682 645638479 /nfs/dbraw/zinc/63/84/79/645638479.db2.gz FSSYLKIZUVJGHJ-PVAVHDDUSA-N 2 0 278.440 2.574 20 30 CFEDRP C=CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCCO1 ZINC000883226988 645676912 /nfs/dbraw/zinc/67/69/12/645676912.db2.gz JGBZQRXWZVDPPH-VEDBGLOESA-N 2 0 278.440 2.715 20 30 CFEDRP C=CCC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@H]1CCCO1 ZINC000883239088 645687106 /nfs/dbraw/zinc/68/71/06/645687106.db2.gz VWPDAMBKYHTUGR-YESZJQIVSA-N 2 0 280.456 2.822 20 30 CFEDRP CC(C)C[C@H](CNC(=[NH2+])N1CCCCCC1)[NH+]1CCCC1 ZINC000305079084 651045385 /nfs/dbraw/zinc/04/53/85/651045385.db2.gz RKRHDDLBQIGJMJ-MRXNPFEDSA-N 2 0 294.487 2.688 20 30 CFEDRP C=CCCOCC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886557156 647046542 /nfs/dbraw/zinc/04/65/42/647046542.db2.gz UXJPITYHMQWPQP-UHFFFAOYSA-N 2 0 280.456 2.966 20 30 CFEDRP C=CC[C@@H](CO)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886561656 647047693 /nfs/dbraw/zinc/04/76/93/647047693.db2.gz FHQVEYAVPOAGCL-KLAILNCOSA-N 2 0 280.456 2.558 20 30 CFEDRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCCC(C)(C)C#N ZINC000887132547 647222411 /nfs/dbraw/zinc/22/24/11/647222411.db2.gz ICVCQVIYEZBEIM-OAHLLOKOSA-N 2 0 286.423 2.922 20 30 CFEDRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCC(C)(C)C#N ZINC000887132820 647222643 /nfs/dbraw/zinc/22/26/43/647222643.db2.gz NRZGEQQDZCXWAB-AWEZNQCLSA-N 2 0 272.396 2.532 20 30 CFEDRP C=C(C)CN1CCC([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925608703 648238052 /nfs/dbraw/zinc/23/80/52/648238052.db2.gz HZBGMEJYBPMDNS-ZBFHGGJFSA-N 2 0 279.472 2.523 20 30 CFEDRP COc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)ccc1C#N ZINC000925668679 648270576 /nfs/dbraw/zinc/27/05/76/648270576.db2.gz JSXWSOOYYMWPKS-HUUCEWRRSA-N 2 0 287.407 2.562 20 30 CFEDRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000926645071 648560745 /nfs/dbraw/zinc/56/07/45/648560745.db2.gz NORHEGJCJFTZTC-AWEZNQCLSA-N 2 0 253.434 2.882 20 30 CFEDRP CCC[N@H+](C)C[C@@H]1CC[NH+](CC2CCC(C#N)CC2)C1 ZINC000929779718 649120503 /nfs/dbraw/zinc/12/05/03/649120503.db2.gz NNKLEZCIWUELML-JCYILVPMSA-N 2 0 277.456 2.980 20 30 CFEDRP C#CCCCCCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000930602448 649284343 /nfs/dbraw/zinc/28/43/43/649284343.db2.gz SZEVPWZTMJGOIN-QGZVFWFLSA-N 2 0 262.441 2.988 20 30 CFEDRP C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435960 649426705 /nfs/dbraw/zinc/42/67/05/649426705.db2.gz JNONKBUCERQZNH-RRQGHBQHSA-N 2 0 269.392 2.503 20 30 CFEDRP C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435977 649427006 /nfs/dbraw/zinc/42/70/06/649427006.db2.gz JNONKBUCERQZNH-XOKHGSTOSA-N 2 0 269.392 2.503 20 30 CFEDRP C=CCCC[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001209160055 770008254 /nfs/dbraw/zinc/00/82/54/770008254.db2.gz AYILBLPYXQSRQQ-UHFFFAOYSA-N 2 0 254.393 2.851 20 30 CFEDRP N#Cc1cc2ccc(NC(=[NH2+])SCC[NH3+])cc2cc1C#N ZINC001167912744 773204481 /nfs/dbraw/zinc/20/44/81/773204481.db2.gz RMYPWQWAPPAOJV-UHFFFAOYSA-N 2 0 295.371 2.622 20 30 CFEDRP C#CCN(C)CCC[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000328280949 775737941 /nfs/dbraw/zinc/73/79/41/775737941.db2.gz POPUSCWLHLERGP-INIZCTEOSA-N 2 0 262.372 2.822 20 30 CFEDRP C#C[C@@H]1CCC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC001167837184 776586694 /nfs/dbraw/zinc/58/66/94/776586694.db2.gz JANFTSOJNBAZLI-JKSUJKDBSA-N 2 0 250.430 2.842 20 30 CFEDRP CCCCCCCCC[N@@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001204748420 777477044 /nfs/dbraw/zinc/47/70/44/777477044.db2.gz LDMYMLJFQRQYJF-HNNXBMFYSA-N 2 0 256.434 2.787 20 30 CFEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(NCC[NH+](C)C)cc1 ZINC001161673127 777501883 /nfs/dbraw/zinc/50/18/83/777501883.db2.gz ZAJSCCYZZCUAMW-QGZVFWFLSA-N 2 0 273.424 2.983 20 30 CFEDRP C#Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235428204 778487271 /nfs/dbraw/zinc/48/72/71/778487271.db2.gz NQKGJKBPLGBDKM-OALUTQOASA-N 2 0 282.431 2.880 20 30 CFEDRP CCC[N@H+](CCC[NH+](C)C)Cc1ccccc1CC#N ZINC001235525170 778511443 /nfs/dbraw/zinc/51/14/43/778511443.db2.gz KCWITGJCIABDRG-UHFFFAOYSA-N 2 0 273.424 2.916 20 30 CFEDRP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001235748456 778552551 /nfs/dbraw/zinc/55/25/51/778552551.db2.gz AAPLAVXPTOVBRV-INIZCTEOSA-N 2 0 296.439 2.929 20 30 CFEDRP [NH3+]C[C@@H]1CC[N@H+](Cc2ccccc2C#Cc2ccccc2)C1 ZINC001235748491 778552599 /nfs/dbraw/zinc/55/25/99/778552599.db2.gz ARJPKBVANVIMNZ-SFHVURJKSA-N 2 0 290.410 2.867 20 30 CFEDRP CCc1cc(C#N)ccc1CN(C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215055 779503033 /nfs/dbraw/zinc/50/30/33/779503033.db2.gz HBLUYBWMDUQRMN-IRXDYDNUSA-N 2 0 271.408 2.822 20 30 CFEDRP C[NH+](C)Cc1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc1 ZINC001240351627 780103363 /nfs/dbraw/zinc/10/33/63/780103363.db2.gz WTBWPKLJELWALF-UHFFFAOYSA-N 2 0 291.398 2.974 20 30 CFEDRP N#Cc1cc(-c2cccc3c[nH+]cn32)cc(C2C[NH2+]C2)c1 ZINC001240356032 780107761 /nfs/dbraw/zinc/10/77/61/780107761.db2.gz MYXUVLJJBPJIMK-UHFFFAOYSA-N 2 0 274.327 2.560 20 30 CFEDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594515758 349438076 /nfs/dbraw/zinc/43/80/76/349438076.db2.gz VTRHAIRMPZDOTL-WOVMCDHWSA-N 2 0 285.435 2.918 20 30 CFEDRP C[C@H]1C[C@H](C[NH2+]C2(c3ccc(C#N)cc3)CCC2)CC[NH2+]1 ZINC000594581079 349450768 /nfs/dbraw/zinc/45/07/68/349450768.db2.gz LYXACNWECNXKSC-GOEBONIOSA-N 2 0 283.419 2.915 20 30 CFEDRP N#Cc1ccc(C2([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CCC2)cc1 ZINC000594584705 349451633 /nfs/dbraw/zinc/45/16/33/349451633.db2.gz DMGAQJMWFHTYAX-LZLYRXPVSA-N 2 0 295.430 2.915 20 30 CFEDRP N#Cc1ccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)cc1 ZINC000594584709 349452570 /nfs/dbraw/zinc/45/25/70/349452570.db2.gz DUPHZJLWZBEMNN-SJPCQFCGSA-N 2 0 281.403 2.810 20 30 CFEDRP N#Cc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000594736809 349484691 /nfs/dbraw/zinc/48/46/91/349484691.db2.gz VWGYJDAPSJCJNV-SFHVURJKSA-N 2 0 283.419 2.770 20 30 CFEDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC[N@@H+]1C ZINC000594923109 349509380 /nfs/dbraw/zinc/50/93/80/349509380.db2.gz SGPIPJWHQRYTQY-RHSMWYFYSA-N 2 0 283.419 2.814 20 30 CFEDRP N#CC1(c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000594926934 349512311 /nfs/dbraw/zinc/51/23/11/349512311.db2.gz XZDPCMNLKRIOKG-MSOLQXFVSA-N 2 0 295.430 2.958 20 30 CFEDRP N#Cc1ccc(CC[N@@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000595895387 349764121 /nfs/dbraw/zinc/76/41/21/349764121.db2.gz LDHNLBQEHXSBLU-UHFFFAOYSA-N 2 0 293.414 2.952 20 30 CFEDRP N#Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000596650210 349968517 /nfs/dbraw/zinc/96/85/17/349968517.db2.gz JLXHMENPJLGQOW-KSZLIROESA-N 2 0 283.419 2.611 20 30 CFEDRP COc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])ccc1C#N ZINC000404374592 348591405 /nfs/dbraw/zinc/59/14/05/348591405.db2.gz KGUHUHWIGCADCF-CJNGLKHVSA-N 2 0 287.407 2.516 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)[C@H]2CCC[C@H]21 ZINC000586789984 348752704 /nfs/dbraw/zinc/75/27/04/348752704.db2.gz WJMKHVCHIHXQTQ-HYVNUMGLSA-N 2 0 287.382 2.660 20 30 CFEDRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591577276 349031251 /nfs/dbraw/zinc/03/12/51/349031251.db2.gz LBSFTSVZHCHEMO-QGZVFWFLSA-N 2 0 271.408 2.913 20 30 CFEDRP C[C@]1(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CCC[NH2+]C1 ZINC000591578178 349031996 /nfs/dbraw/zinc/03/19/96/349031996.db2.gz KJVMAVNXNCVUSJ-ROUUACIJSA-N 2 0 283.419 2.915 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000591579371 349032209 /nfs/dbraw/zinc/03/22/09/349032209.db2.gz RCUKRRDWYAMSFN-SJORKVTESA-N 2 0 281.403 2.667 20 30 CFEDRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591581399 349032553 /nfs/dbraw/zinc/03/25/53/349032553.db2.gz VHKXEOORPQKXQU-DQYPLSBCSA-N 2 0 269.392 2.523 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000592391581 349114360 /nfs/dbraw/zinc/11/43/60/349114360.db2.gz CJSDTQLDTISKLN-PBHICJAKSA-N 2 0 271.408 2.573 20 30 CFEDRP N#Cc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592986372 349181312 /nfs/dbraw/zinc/18/13/12/349181312.db2.gz ZVJNBYMURJRBOC-ZWKOTPCHSA-N 2 0 283.419 2.770 20 30 CFEDRP CC[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(C#N)cc1 ZINC000593320907 349246535 /nfs/dbraw/zinc/24/65/35/349246535.db2.gz VKAJVJZPTACPQY-HNNXBMFYSA-N 2 0 257.381 2.728 20 30 CFEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCC1CC[NH2+]CC1)CC2 ZINC000593323049 349247363 /nfs/dbraw/zinc/24/73/63/349247363.db2.gz OPKGLWUGKPNMBX-KRWDZBQOSA-N 2 0 269.392 2.525 20 30 CFEDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000105456987 186058067 /nfs/dbraw/zinc/05/80/67/186058067.db2.gz ABWJSGGCSSXOEX-KRWDZBQOSA-N 2 0 271.408 2.768 20 30 CFEDRP Cc1ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)cc1C#N ZINC000599298064 350409446 /nfs/dbraw/zinc/40/94/46/350409446.db2.gz PWYSSQAMAOSRFR-QGZVFWFLSA-N 2 0 283.419 2.784 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(C#N)cc1 ZINC000602022813 350834826 /nfs/dbraw/zinc/83/48/26/350834826.db2.gz VPVXQLUZYBQYIR-XJKSGUPXSA-N 2 0 271.408 2.987 20 30 CFEDRP C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000602479187 350899762 /nfs/dbraw/zinc/89/97/62/350899762.db2.gz FVTAIPVPLITWLJ-HOCLYGCPSA-N 2 0 263.429 2.590 20 30 CFEDRP CC(C)C[NH+]1CCC([NH2+]C2CCC(C#N)CC2)CC1 ZINC000602511310 350910327 /nfs/dbraw/zinc/91/03/27/350910327.db2.gz OGVBLKCOJNXZQP-UHFFFAOYSA-N 2 0 263.429 2.779 20 30 CFEDRP CCC[NH+]1CCC(C[NH2+]C2CCC(C#N)CC2)CC1 ZINC000602550199 350921079 /nfs/dbraw/zinc/92/10/79/350921079.db2.gz KNFUAAKXHXVYIW-UHFFFAOYSA-N 2 0 263.429 2.780 20 30 CFEDRP C[C@H](CCC#N)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000602473223 350895619 /nfs/dbraw/zinc/89/56/19/350895619.db2.gz DCIZCYNGPKJIRC-HUUCEWRRSA-N 2 0 251.418 2.732 20 30 CFEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000602704916 350989390 /nfs/dbraw/zinc/98/93/90/350989390.db2.gz HXKRCRAKXONAIM-GJZGRUSLSA-N 2 0 293.455 2.548 20 30 CFEDRP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc(C#N)c1 ZINC000611388860 351679678 /nfs/dbraw/zinc/67/96/78/351679678.db2.gz KUQVCMNTOPUJLX-XJKSGUPXSA-N 2 0 257.381 2.693 20 30 CFEDRP N#C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000336253287 283057099 /nfs/dbraw/zinc/05/70/99/283057099.db2.gz AQACOLPNGBDMHN-HIFRSBDPSA-N 2 0 261.413 2.675 20 30 CFEDRP N#C[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000336253286 283065603 /nfs/dbraw/zinc/06/56/03/283065603.db2.gz AQACOLPNGBDMHN-DZGCQCFKSA-N 2 0 261.413 2.675 20 30 CFEDRP C(#CC[N@@H+]1CC[C@@H]2CCC[C@@H]21)C[NH+]1CC[C@@H]2CCC[C@@H]21 ZINC000671243434 540590796 /nfs/dbraw/zinc/59/07/96/540590796.db2.gz GQLBHLNBZJFZBG-XSLAGTTESA-N 2 0 272.436 2.739 20 30 CFEDRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000423114537 238208750 /nfs/dbraw/zinc/20/87/50/238208750.db2.gz ZNKRFFYOKGAUKO-ZDUSSCGKSA-N 2 0 294.402 2.614 20 30 CFEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423248989 238308859 /nfs/dbraw/zinc/30/88/59/238308859.db2.gz OBPZRUGNRZRNQJ-KDOFPFPSSA-N 2 0 283.419 2.915 20 30 CFEDRP C=C(C)C[N@@H+](CC)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667473480 541239255 /nfs/dbraw/zinc/23/92/55/541239255.db2.gz LEWPRVFAEWFRSM-UHFFFAOYSA-N 2 0 256.353 2.665 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc(C#N)cc1 ZINC000251425023 299369607 /nfs/dbraw/zinc/36/96/07/299369607.db2.gz IHKNEWASHWKIOV-VBNZEHGJSA-N 2 0 257.381 2.726 20 30 CFEDRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000459722391 245285925 /nfs/dbraw/zinc/28/59/25/245285925.db2.gz BFVWXDHKHPXOJL-ZDUSSCGKSA-N 2 0 275.371 2.519 20 30 CFEDRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000037644625 372680695 /nfs/dbraw/zinc/68/06/95/372680695.db2.gz OFHZBDCQSSEMFO-DZGCQCFKSA-N 2 0 257.381 2.551 20 30 CFEDRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000037649449 372685511 /nfs/dbraw/zinc/68/55/11/372685511.db2.gz RVDCYLLTWGEOAL-HIFRSBDPSA-N 2 0 269.392 2.693 20 30 CFEDRP CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])NC(C)(C)C ZINC000264064716 383693088 /nfs/dbraw/zinc/69/30/88/383693088.db2.gz DQCSDVJWQBYQOR-UHFFFAOYSA-N 2 0 290.455 2.731 20 30 CFEDRP CC(C)(C)NC(=[NH2+])NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000104155626 375770540 /nfs/dbraw/zinc/77/05/40/375770540.db2.gz JJNKIWUNPWAEDQ-OAHLLOKOSA-N 2 0 288.439 2.526 20 30 CFEDRP CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])NCC(C)C ZINC000104158026 375770673 /nfs/dbraw/zinc/77/06/73/375770673.db2.gz PJPUKACLHWSPAS-UHFFFAOYSA-N 2 0 290.455 2.589 20 30 CFEDRP Cc1ccc(NC(=[NH2+])NC[C@@H](C)[N@H+](C)C2CC2)cc1C ZINC000264252711 383717050 /nfs/dbraw/zinc/71/70/50/383717050.db2.gz HOWJEVAQVWCXKG-CYBMUJFWSA-N 2 0 274.412 2.513 20 30 CFEDRP C[N@@H+]1CCC[C@H]2CN(Cc3ccc(C#N)cc3F)CC[C@@H]21 ZINC000129110083 377385463 /nfs/dbraw/zinc/38/54/63/377385463.db2.gz UPJVTLAGQOIFKK-RDJZCZTQSA-N 2 0 287.382 2.613 20 30 CFEDRP C=CC[N@@H+](C)Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000154763117 378593308 /nfs/dbraw/zinc/59/33/08/378593308.db2.gz LNLJYPIOAPVFHM-UHFFFAOYSA-N 2 0 287.451 2.836 20 30 CFEDRP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000266160707 190236299 /nfs/dbraw/zinc/23/62/99/190236299.db2.gz NKMSULXSJWVZNR-MAUKXSAKSA-N 2 0 286.419 2.519 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000163247579 378962109 /nfs/dbraw/zinc/96/21/09/378962109.db2.gz OAXOIYYCVAOGIU-HOTGVXAUSA-N 2 0 286.419 2.691 20 30 CFEDRP N#CC1(c2ccccc2)CCC([NH2+]C2CC[NH2+]CC2)CC1 ZINC000335566407 379521998 /nfs/dbraw/zinc/52/19/98/379521998.db2.gz ACWNTAOYGZAFHT-UHFFFAOYSA-N 2 0 283.419 2.732 20 30 CFEDRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000174551426 379907416 /nfs/dbraw/zinc/90/74/16/379907416.db2.gz KERCAJLQVZUHFN-UHFFFAOYSA-N 2 0 271.408 2.770 20 30 CFEDRP CC[NH+]1CCC(CC[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000177706311 380370868 /nfs/dbraw/zinc/37/08/68/380370868.db2.gz ZZSFFGNEMJYHSC-UHFFFAOYSA-N 2 0 277.437 2.831 20 30 CFEDRP N#C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000336423230 380343857 /nfs/dbraw/zinc/34/38/57/380343857.db2.gz BUSUDWWJEKRUJE-DZGCQCFKSA-N 2 0 261.413 2.675 20 30 CFEDRP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21 ZINC000371506596 381646729 /nfs/dbraw/zinc/64/67/29/381646729.db2.gz SVJBSCGIDBHAMU-HZMVEIRTSA-N 2 0 293.455 2.548 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)[C@@H]2CCC[C@@H]21 ZINC000375836210 382106503 /nfs/dbraw/zinc/10/65/03/382106503.db2.gz BNCUSQPIJUGNQO-BZSNNMDCSA-N 2 0 299.418 2.551 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1cccc(C#N)c1 ZINC000344161623 382170576 /nfs/dbraw/zinc/17/05/76/382170576.db2.gz GULDYMMSIFRIQL-IIYDPXPESA-N 2 0 269.392 2.692 20 30 CFEDRP C=CCCC[N@@H+](C)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420294936 382345502 /nfs/dbraw/zinc/34/55/02/382345502.db2.gz BOAYBRQVXCTISW-HNNXBMFYSA-N 2 0 262.397 2.636 20 30 CFEDRP C=CCOc1cccc(C[N@@H+](C)CC(C)(C)C[NH3+])c1 ZINC000346665659 382460981 /nfs/dbraw/zinc/46/09/81/382460981.db2.gz DGDPWWFPHVGIKV-UHFFFAOYSA-N 2 0 262.397 2.668 20 30 CFEDRP C=CCC[C@H](CO)[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000320646658 382538519 /nfs/dbraw/zinc/53/85/19/382538519.db2.gz OCIMNWXFBQOGFJ-JQHSSLGASA-N 2 0 288.435 2.566 20 30 CFEDRP C=C[C@@H](C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000358303473 382558248 /nfs/dbraw/zinc/55/82/48/382558248.db2.gz RBDZNFPNZZVITA-KGLIPLIRSA-N 2 0 262.397 2.852 20 30 CFEDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000358308617 382560706 /nfs/dbraw/zinc/56/07/06/382560706.db2.gz KAJNRWDXDAYFGX-WQGACYEGSA-N 2 0 275.371 2.516 20 30 CFEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000442712417 382948371 /nfs/dbraw/zinc/94/83/71/382948371.db2.gz GJIKRHQWNJLNIG-XUWVNRHRSA-N 2 0 263.429 2.636 20 30 CFEDRP C[NH+](C)CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(C)(C)C ZINC000442776849 382954517 /nfs/dbraw/zinc/95/45/17/382954517.db2.gz DVAVQSGXHJTUEE-MJBXVCDLSA-N 2 0 251.418 2.635 20 30 CFEDRP CCC[NH+](CCC)CCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442780978 382955775 /nfs/dbraw/zinc/95/57/75/382955775.db2.gz OTCYUWUCSLDIRU-CABCVRRESA-N 2 0 251.418 2.780 20 30 CFEDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000442829835 382960088 /nfs/dbraw/zinc/96/00/88/382960088.db2.gz WIJQVUKPVOAYKV-XHSDSOJGSA-N 2 0 263.429 2.636 20 30 CFEDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000442829832 382960293 /nfs/dbraw/zinc/96/02/93/382960293.db2.gz WIJQVUKPVOAYKV-ARFHVFGLSA-N 2 0 263.429 2.636 20 30 CFEDRP C=CCC[C@@H](CCC)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442865632 382961980 /nfs/dbraw/zinc/96/19/80/382961980.db2.gz FZMJKZCDFYSZEJ-MRXNPFEDSA-N 2 0 281.488 2.737 20 30 CFEDRP C#CCCC[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000246250687 383069568 /nfs/dbraw/zinc/06/95/68/383069568.db2.gz PKEUXZALOQEDKM-NVXWUHKLSA-N 2 0 256.393 2.825 20 30 CFEDRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(C#N)cc1F ZINC000423033516 383022269 /nfs/dbraw/zinc/02/22/69/383022269.db2.gz ONGRSHRZGRWXFX-NWDGAFQWSA-N 2 0 263.360 2.865 20 30 CFEDRP C[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C[C@H]1n1ccnc1 ZINC000246911364 383119838 /nfs/dbraw/zinc/11/98/38/383119838.db2.gz UREMXVMKLOSTAE-SWLSCSKDSA-N 2 0 286.404 2.899 20 30 CFEDRP C[C@@H](c1ccc(C#N)cc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246972874 383127515 /nfs/dbraw/zinc/12/75/15/383127515.db2.gz OTCROJUSXPGKOC-HOCLYGCPSA-N 2 0 271.408 2.893 20 30 CFEDRP N#CCCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247009126 383132005 /nfs/dbraw/zinc/13/20/05/383132005.db2.gz XIPOWVCFFXAONL-GOEBONIOSA-N 2 0 261.413 2.629 20 30 CFEDRP C=CCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000565521010 383179288 /nfs/dbraw/zinc/17/92/88/383179288.db2.gz RXPSVEZKGNZZBL-SJPCQFCGSA-N 2 0 280.456 2.916 20 30 CFEDRP CC[N@@H+]1CCC[C@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449108578 383179725 /nfs/dbraw/zinc/17/97/25/383179725.db2.gz URPDMHNLKPHFIT-QQFBHYJXSA-N 2 0 263.429 2.780 20 30 CFEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000247652141 383188669 /nfs/dbraw/zinc/18/86/69/383188669.db2.gz WPDHWAAOULQTKV-ROUUACIJSA-N 2 0 294.483 2.902 20 30 CFEDRP Cc1cc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1C#N ZINC000339437083 383196689 /nfs/dbraw/zinc/19/66/89/383196689.db2.gz DIOQOQNIIAJDDE-GOSISDBHSA-N 2 0 283.419 2.784 20 30 CFEDRP C=CCCCC[C@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000449079551 383165097 /nfs/dbraw/zinc/16/50/97/383165097.db2.gz ZFACRMYNLHTSSC-ZWKOTPCHSA-N 2 0 295.515 2.983 20 30 CFEDRP CC#CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000248401265 383236340 /nfs/dbraw/zinc/23/63/40/383236340.db2.gz ZFTXDSYLCKJDJU-IAGOWNOFSA-N 2 0 262.441 2.986 20 30 CFEDRP Cc1cc(NCCCC[N@H+]2CCCC[C@@H]2C)c(C#N)cn1 ZINC000425201381 383338953 /nfs/dbraw/zinc/33/89/53/383338953.db2.gz AAODUFNDHGVDTC-HNNXBMFYSA-N 2 0 286.423 2.750 20 30 CFEDRP C[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)C[NH+]1CCCCC1 ZINC000248899438 383305126 /nfs/dbraw/zinc/30/51/26/383305126.db2.gz UHEBXRXEWBCSMS-OAGGEKHMSA-N 2 0 263.429 2.780 20 30 CFEDRP C=C(C)CC[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000449472014 383314956 /nfs/dbraw/zinc/31/49/56/383314956.db2.gz DXDGJPUJMZKARZ-UHFFFAOYSA-N 2 0 256.353 2.632 20 30 CFEDRP C=CCC[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000449702304 383361544 /nfs/dbraw/zinc/36/15/44/383361544.db2.gz YLMABTYACBBHEB-JQHSSLGASA-N 2 0 294.483 2.946 20 30 CFEDRP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000250084265 383370058 /nfs/dbraw/zinc/37/00/58/383370058.db2.gz RWJRQPVYEFMGBV-KZNAEPCWSA-N 2 0 283.419 2.959 20 30 CFEDRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000569662305 383524219 /nfs/dbraw/zinc/52/42/19/383524219.db2.gz MIAACEOCZGXAAC-FHERZECASA-N 2 0 263.429 2.779 20 30 CFEDRP C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000488445695 383541139 /nfs/dbraw/zinc/54/11/39/383541139.db2.gz JGMHWKUWHUOSAF-CQSZACIVSA-N 2 0 271.408 2.893 20 30 CFEDRP C=CC[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435697792 383779504 /nfs/dbraw/zinc/77/95/04/383779504.db2.gz ZEMDNRSUJAUPBY-AWEZNQCLSA-N 2 0 262.422 2.878 20 30 CFEDRP C=CCC[C@@H](O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533795 383820012 /nfs/dbraw/zinc/82/00/12/383820012.db2.gz VDKIOYYXNUYKJK-MRXNPFEDSA-N 2 0 268.445 2.511 20 30 CFEDRP C[NH+](C)[C@H]1CCCN(Cc2cc(C#N)ccc2F)CC1 ZINC000277331679 384269136 /nfs/dbraw/zinc/26/91/36/384269136.db2.gz VOSXSMLAYHUBRS-HNNXBMFYSA-N 2 0 275.371 2.613 20 30 CFEDRP CCC(CC)C[N@H+](CCC#N)CCn1ccnc1C ZINC000270843228 385244920 /nfs/dbraw/zinc/24/49/20/385244920.db2.gz GHCRLJJRYZZQJG-UHFFFAOYSA-N 2 0 262.401 2.843 20 30 CFEDRP C[C@H](CC[NH+](C)C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271927889 385403962 /nfs/dbraw/zinc/40/39/62/385403962.db2.gz HAJTVPZYCRPWET-NEPJUHHUSA-N 2 0 263.360 2.688 20 30 CFEDRP Cc1cc(C#N)ccc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000186239220 393541959 /nfs/dbraw/zinc/54/19/59/393541959.db2.gz GFSLTBSBKVLBEW-INIZCTEOSA-N 2 0 271.408 2.640 20 30 CFEDRP C#CC[N@@H+](CC)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000271161099 394016940 /nfs/dbraw/zinc/01/69/40/394016940.db2.gz XRTXHJAOWPTSKG-UHFFFAOYSA-N 2 0 299.462 2.672 20 30 CFEDRP C[NH+](C)C1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000453393560 394395768 /nfs/dbraw/zinc/39/57/68/394395768.db2.gz VDLNPXADKZPQSM-UHFFFAOYSA-N 2 0 275.371 2.660 20 30 CFEDRP C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000540705165 394651780 /nfs/dbraw/zinc/65/17/80/394651780.db2.gz BMIOJRTZPRVAQA-STQMWFEESA-N 2 0 275.371 2.690 20 30 CFEDRP C=CCOc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647789997 395429700 /nfs/dbraw/zinc/42/97/00/395429700.db2.gz PBLUMQBHYMIARO-BHYGNILZSA-N 2 0 286.419 2.729 20 30 CFEDRP C=C(C)[C@H](CO)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000649353244 395476775 /nfs/dbraw/zinc/47/67/75/395476775.db2.gz PYNQFIDCBCHTJA-WMZOPIPTSA-N 2 0 294.483 2.900 20 30 CFEDRP C=C(C)[C@H](CO)[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000649407200 395487615 /nfs/dbraw/zinc/48/76/15/395487615.db2.gz OQPFGBCFYMZUNB-SFHVURJKSA-N 2 0 294.483 2.757 20 30 CFEDRP C=C(C)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000352866890 397658541 /nfs/dbraw/zinc/65/85/41/397658541.db2.gz NCWWACGFIREETG-UHFFFAOYSA-N 2 0 293.842 2.758 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]CCc2cccc(C#N)c2)[C@H]2CCC[C@@H]21 ZINC000375841323 157294341 /nfs/dbraw/zinc/29/43/41/157294341.db2.gz RPZBJVOCUZISLY-SQNIBIBYSA-N 2 0 283.419 2.563 20 30 CFEDRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423343085 287039620 /nfs/dbraw/zinc/03/96/20/287039620.db2.gz NMKIZNVAKPYBOM-CZUORRHYSA-N 2 0 257.381 2.599 20 30 CFEDRP C=CCCC[C@H](C)[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660697224 413504623 /nfs/dbraw/zinc/50/46/23/413504623.db2.gz VSXNSTKLXFGTDG-INIZCTEOSA-N 2 0 282.472 2.804 20 30 CFEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000651674467 413560709 /nfs/dbraw/zinc/56/07/09/413560709.db2.gz QLUJFNDGFMUZHN-KURKYZTESA-N 2 0 293.499 2.593 20 30 CFEDRP C=CCOCCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000657658708 413827680 /nfs/dbraw/zinc/82/76/80/413827680.db2.gz ASPWEGUWZUZCNN-UHFFFAOYSA-N 2 0 280.456 2.966 20 30 CFEDRP C=CC[C@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000661387828 413944861 /nfs/dbraw/zinc/94/48/61/413944861.db2.gz ZTTIRHFOMXAPMM-SFHVURJKSA-N 2 0 293.499 2.691 20 30 CFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000657831784 413984301 /nfs/dbraw/zinc/98/43/01/413984301.db2.gz BLYKUKJNHZKWRE-AEFFLSMTSA-N 2 0 293.499 2.737 20 30 CFEDRP C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534369 175196987 /nfs/dbraw/zinc/19/69/87/175196987.db2.gz GUZHQPNAGIPLJU-INIZCTEOSA-N 2 0 274.408 2.683 20 30 CFEDRP CC1CC[NH+](CCCCNC(=[NH2+])Nc2ccccc2)CC1 ZINC000161509436 261249194 /nfs/dbraw/zinc/24/91/94/261249194.db2.gz OKKIBQYEZVNSDL-UHFFFAOYSA-N 2 0 288.439 2.925 20 30 CFEDRP C[NH+](C)CC1CCC([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000361420038 261254506 /nfs/dbraw/zinc/25/45/06/261254506.db2.gz KGLFSPBSMDBSOE-GYTBAZASSA-N 2 0 263.429 2.779 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000414813764 263053260 /nfs/dbraw/zinc/05/32/60/263053260.db2.gz YQWZBARMFVBRBP-WBVHZDCISA-N 2 0 274.408 2.859 20 30 CFEDRP CC(C)[NH+](CCNC(=[NH2+])Nc1cc(F)ccc1F)C(C)C ZINC000288807557 263106214 /nfs/dbraw/zinc/10/62/14/263106214.db2.gz ZZVLGJMVFHJIPU-UHFFFAOYSA-N 2 0 298.381 2.810 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000415015539 263255688 /nfs/dbraw/zinc/25/56/88/263255688.db2.gz YWXUZPRJNMANKQ-ZWKOTPCHSA-N 2 0 286.419 2.729 20 30 CFEDRP C#CCC[N@@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000371197348 267363973 /nfs/dbraw/zinc/36/39/73/267363973.db2.gz WFODGPTZDOVMFD-UHFFFAOYSA-N 2 0 262.441 2.985 20 30 CFEDRP N#CCCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371209308 267371816 /nfs/dbraw/zinc/37/18/16/267371816.db2.gz UAGMBFQKDUWTOW-INIZCTEOSA-N 2 0 263.429 2.878 20 30 CFEDRP CCC[NH+]1CCC([NH2+]CC2CCC(C#N)CC2)CC1 ZINC000442874286 276004634 /nfs/dbraw/zinc/00/46/34/276004634.db2.gz MNAXXJQDEUKMHD-UHFFFAOYSA-N 2 0 263.429 2.780 20 30 CFEDRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000414170726 277053402 /nfs/dbraw/zinc/05/34/02/277053402.db2.gz CGFBPOSOYMPSCZ-KBXCAEBGSA-N 2 0 283.419 2.867 20 30 CFEDRP CC[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(C#N)cc1 ZINC000423228974 288034806 /nfs/dbraw/zinc/03/48/06/288034806.db2.gz GDWBSSYAMZDEAC-GPANFISMSA-N 2 0 257.381 2.869 20 30 CFEDRP N#Cc1cccc(CC[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000562296899 282073147 /nfs/dbraw/zinc/07/31/47/282073147.db2.gz VNCNUSNKTRSKHD-UHFFFAOYSA-N 2 0 283.419 2.565 20 30 CFEDRP C[C@H]1C[N@H+](CCCc2cccc(C#N)c2)CCC[C@H]1C[NH3+] ZINC001205985687 782065084 /nfs/dbraw/zinc/06/50/84/782065084.db2.gz ZTDZJXQJBDFDJW-YJBOKZPZSA-N 2 0 285.435 2.798 20 30 CFEDRP C=CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)c1ccccc1 ZINC000571341095 328112672 /nfs/dbraw/zinc/11/26/72/328112672.db2.gz ZQXQJPUUODCWAD-SJORKVTESA-N 2 0 276.424 2.596 20 30 CFEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2cccc(C(C)C)c2)C1 ZINC000264078784 328157411 /nfs/dbraw/zinc/15/74/11/328157411.db2.gz GOJOIYCEWSMFLQ-CQSZACIVSA-N 2 0 288.439 2.878 20 30 CFEDRP C[C@H]([NH2+]CCCC#N)c1cccc(OCC[NH+](C)C)c1 ZINC000273195786 328204644 /nfs/dbraw/zinc/20/46/44/328204644.db2.gz HTYMIMXNDKZWQH-AWEZNQCLSA-N 2 0 275.396 2.581 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@H](C)CC[NH3+])cc1Cl ZINC000414880860 328248678 /nfs/dbraw/zinc/24/86/78/328248678.db2.gz KJENSYZZRGYOED-LLVKDONJSA-N 2 0 268.788 2.732 20 30 CFEDRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000175012581 323659006 /nfs/dbraw/zinc/65/90/06/323659006.db2.gz DLGFZBMIRXORSE-CVEARBPZSA-N 2 0 257.381 2.521 20 30 CFEDRP C[C@H]1C[NH+](CCC2CC[NH+](CCCC#N)CC2)C[C@H](C)O1 ZINC000177491880 329184669 /nfs/dbraw/zinc/18/46/69/329184669.db2.gz WGXGMZBQPYYITI-HOTGVXAUSA-N 2 0 293.455 2.501 20 30 CFEDRP CC1CC[NH+](CCC[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185760512 329331217 /nfs/dbraw/zinc/33/12/17/329331217.db2.gz GSNQEWZPXAZAIS-JKSUJKDBSA-N 2 0 263.429 2.780 20 30 CFEDRP [NH2+]=C(NC1CC([NH+]2CCCCC2)C1)NC1CCCCCC1 ZINC000262491548 330017242 /nfs/dbraw/zinc/01/72/42/330017242.db2.gz VAUJKMPYJJDVMP-UHFFFAOYSA-N 2 0 292.471 2.630 20 30 CFEDRP C=CCN(CC=C)[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)C(C)C ZINC000422838401 330157127 /nfs/dbraw/zinc/15/71/27/330157127.db2.gz XDEDMJWLVURVII-OKZBNKHCSA-N 2 0 293.499 2.663 20 30 CFEDRP C=CCN1CCC([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000422861258 330157958 /nfs/dbraw/zinc/15/79/58/330157958.db2.gz NUAMIHKBQXCYLA-NVXWUHKLSA-N 2 0 279.472 2.537 20 30 CFEDRP C=CCCC[C@H](C)[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423022793 330165582 /nfs/dbraw/zinc/16/55/82/330165582.db2.gz FWJQRTJAWALMPO-LSDHHAIUSA-N 2 0 296.455 2.642 20 30 CFEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423102523 330170165 /nfs/dbraw/zinc/17/01/65/330170165.db2.gz WYMXDTRYDIZUMI-VQHPVUNQSA-N 2 0 280.456 2.868 20 30 CFEDRP C=CCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000423149967 330172812 /nfs/dbraw/zinc/17/28/12/330172812.db2.gz BIBRXDCTFXMKRD-BRWVUGGUSA-N 2 0 292.467 2.870 20 30 CFEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423151525 330172852 /nfs/dbraw/zinc/17/28/52/330172852.db2.gz CNQVQOWWSONZJU-QUSNUVHPSA-N 2 0 275.440 2.969 20 30 CFEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423151526 330172922 /nfs/dbraw/zinc/17/29/22/330172922.db2.gz CNQVQOWWSONZJU-SMLCLMEVSA-N 2 0 275.440 2.969 20 30 CFEDRP C=C(CC)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423167541 330174296 /nfs/dbraw/zinc/17/42/96/330174296.db2.gz XBKVJTUHRAZOON-NVXWUHKLSA-N 2 0 272.392 2.798 20 30 CFEDRP C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423191919 330176095 /nfs/dbraw/zinc/17/60/95/330176095.db2.gz UECAPMBLPXOMHK-BHYGNILZSA-N 2 0 258.409 2.904 20 30 CFEDRP C[C@H]([NH3+])CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423223153 330180156 /nfs/dbraw/zinc/18/01/56/330180156.db2.gz FAODNIJWWHFWNK-OOHWJJMZSA-N 2 0 271.408 2.717 20 30 CFEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000424173026 330313639 /nfs/dbraw/zinc/31/36/39/330313639.db2.gz OTOCKHJYDNTZAX-YJBOKZPZSA-N 2 0 292.467 2.964 20 30 CFEDRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424187219 330319718 /nfs/dbraw/zinc/31/97/18/330319718.db2.gz AMNKNDYBRFNQBO-BZZMCLGOSA-N 2 0 283.419 2.789 20 30 CFEDRP C=CCC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)C1CC1 ZINC000121001265 330394344 /nfs/dbraw/zinc/39/43/44/330394344.db2.gz MMIMVUCOVKEZHG-GOSISDBHSA-N 2 0 293.499 2.594 20 30 CFEDRP CCC[NH+](CCC)CCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442780981 330782567 /nfs/dbraw/zinc/78/25/67/330782567.db2.gz OTCYUWUCSLDIRU-LSDHHAIUSA-N 2 0 251.418 2.780 20 30 CFEDRP N#C[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000446891186 330857303 /nfs/dbraw/zinc/85/73/03/330857303.db2.gz VGLGOYCJYFYYQB-GJZGRUSLSA-N 2 0 261.413 2.533 20 30 CFEDRP CC(C)(CCC#N)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459557608 331287628 /nfs/dbraw/zinc/28/76/28/331287628.db2.gz HKRLPIIBUSGXBK-UHFFFAOYSA-N 2 0 286.423 2.970 20 30 CFEDRP CC#CCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000309741920 333048416 /nfs/dbraw/zinc/04/84/16/333048416.db2.gz WEDXAFRDLVDTDS-IPMKNSEASA-N 2 0 282.431 2.900 20 30 CFEDRP C=CCCC[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000189995787 333201399 /nfs/dbraw/zinc/20/13/99/333201399.db2.gz NXNUEWFXAVSCQS-CVEARBPZSA-N 2 0 268.445 2.679 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCCC(C)(C)C#N)[C@@H](C)C1 ZINC000247004048 334273755 /nfs/dbraw/zinc/27/37/55/334273755.db2.gz LDFKDYNXGALCDT-GJZGRUSLSA-N 2 0 265.445 2.978 20 30 CFEDRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(C#N)c1 ZINC000423426078 533909106 /nfs/dbraw/zinc/90/91/06/533909106.db2.gz PBNJHGXZCHAIFZ-KKUMJFAQSA-N 2 0 271.408 2.974 20 30 CFEDRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(C#N)cc1F ZINC000335014381 525289813 /nfs/dbraw/zinc/28/98/13/525289813.db2.gz ZPYZMZFMBLSKKS-PKSQDBQZSA-N 2 0 261.344 2.618 20 30 CFEDRP C=C(C)CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000352004147 526442323 /nfs/dbraw/zinc/44/23/23/526442323.db2.gz OFNJWYXQCLIPAW-UHFFFAOYSA-N 2 0 266.429 2.529 20 30 CFEDRP C=CCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000344632017 526904210 /nfs/dbraw/zinc/90/42/10/526904210.db2.gz PKKAXNQRMVEODN-GOEBONIOSA-N 2 0 274.408 2.824 20 30 CFEDRP C#CCOc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000113336171 527104111 /nfs/dbraw/zinc/10/41/11/527104111.db2.gz DPGNHBDOBMRYRS-UHFFFAOYSA-N 2 0 286.419 2.520 20 30 CFEDRP C[C@H](CC(C)(C)C#N)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926305299 617856169 /nfs/dbraw/zinc/85/61/69/617856169.db2.gz CEUGTLGUUUHZHU-CYBMUJFWSA-N 2 0 263.429 2.779 20 30 CFEDRP Cc1cccc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000104167942 617951949 /nfs/dbraw/zinc/95/19/49/617951949.db2.gz MXFKJJNDARFJJC-LSDHHAIUSA-N 2 0 288.439 2.842 20 30 CFEDRP C=CC[C@@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926351686 617955710 /nfs/dbraw/zinc/95/57/10/617955710.db2.gz RSSYSGVIUMXWHM-WZYMTQMTSA-N 2 0 266.429 2.573 20 30 CFEDRP C#C[C@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)C1CCOCC1 ZINC000895435395 618582236 /nfs/dbraw/zinc/58/22/36/618582236.db2.gz IKSNDSQPWIRRSV-SFHVURJKSA-N 2 0 292.467 2.515 20 30 CFEDRP C[N@@H+]1CCC[C@]2(CC[NH+](CC3CCC(C#N)CC3)C2)C1 ZINC000930575984 618871152 /nfs/dbraw/zinc/87/11/52/618871152.db2.gz AVBQEPFZNSGNLQ-JCYILVPMSA-N 2 0 275.440 2.734 20 30 CFEDRP CC1(C#N)CCC([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000925838885 619171192 /nfs/dbraw/zinc/17/11/92/619171192.db2.gz DVNDGOMVZMXNMQ-GYTBAZASSA-N 2 0 261.413 2.581 20 30 CFEDRP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(C#N)c1 ZINC000903043169 621233013 /nfs/dbraw/zinc/23/30/13/621233013.db2.gz QLTYZJJVGFZHNA-UAGQMJEPSA-N 2 0 271.408 2.939 20 30 CFEDRP C#Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903182944 621277370 /nfs/dbraw/zinc/27/73/70/621277370.db2.gz IJMNQOBQVWXMES-JLYLLQBASA-N 2 0 280.415 2.915 20 30 CFEDRP N#CC1CCC(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000903444963 621383917 /nfs/dbraw/zinc/38/39/17/621383917.db2.gz GRSMVWOUGKVCBJ-GQGLESIBSA-N 2 0 275.440 2.780 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498529 621394229 /nfs/dbraw/zinc/39/42/29/621394229.db2.gz JOXZWMHXAKYKSG-GDBMZVCRSA-N 2 0 271.408 2.592 20 30 CFEDRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000903716761 621424646 /nfs/dbraw/zinc/42/46/46/621424646.db2.gz RUDOULNZZBIXJR-HUUCEWRRSA-N 2 0 263.429 2.910 20 30 CFEDRP N#CC1(CCCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CCC1 ZINC000903753057 621433211 /nfs/dbraw/zinc/43/32/11/621433211.db2.gz ZJDRBGZFKGVTOW-KRWDZBQOSA-N 2 0 275.440 2.926 20 30 CFEDRP C[N@H+](CCCCCC[NH3+])Cc1cc(C#N)cs1 ZINC000903825613 621450402 /nfs/dbraw/zinc/45/04/02/621450402.db2.gz BDEIUDIAKIXGJC-UHFFFAOYSA-N 2 0 251.399 2.571 20 30 CFEDRP CCCCCCCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000911725188 622541450 /nfs/dbraw/zinc/54/14/50/622541450.db2.gz JJQPWZQKIBHOEY-JYJNAYRXSA-N 2 0 297.487 2.569 20 30 CFEDRP CCCC[NH+]=C(NC[C@@H]1CC[N@H+](CCC)C1)NC(C)(C)C ZINC000912497013 622728149 /nfs/dbraw/zinc/72/81/49/622728149.db2.gz LQNKECQGNJQXHP-HNNXBMFYSA-N 2 0 296.503 2.852 20 30 CFEDRP N#CC1CCC(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000929695010 623512420 /nfs/dbraw/zinc/51/24/20/623512420.db2.gz DUMPFBUTFZUMFG-OFLPRAFFSA-N 2 0 275.440 2.734 20 30 CFEDRP N#CC1CCC(C[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000929835411 623892502 /nfs/dbraw/zinc/89/25/02/623892502.db2.gz MUCGNIVRADATCC-UHFFFAOYSA-N 2 0 284.407 2.534 20 30 CFEDRP C=C(C[NH+](C)C)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000764207710 623979936 /nfs/dbraw/zinc/97/99/36/623979936.db2.gz KHVOKROHSLYBJY-UHFFFAOYSA-N 2 0 289.423 2.585 20 30 CFEDRP C[C@H](CC(C)(C)C#N)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000925440370 624356539 /nfs/dbraw/zinc/35/65/39/624356539.db2.gz RBYICRZXOLIBLO-BZUAXINKSA-N 2 0 295.471 2.794 20 30 CFEDRP C#CCC1([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCC1 ZINC000922999318 626441181 /nfs/dbraw/zinc/44/11/81/626441181.db2.gz AQJOLQLEMOCABE-UHFFFAOYSA-N 2 0 286.419 2.663 20 30 CFEDRP N#Cc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)o1 ZINC000923506107 626477717 /nfs/dbraw/zinc/47/77/17/626477717.db2.gz HAOYPFPWHOZFJZ-CQSZACIVSA-N 2 0 287.407 2.753 20 30 CFEDRP C#CCCCC[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000773041658 627773557 /nfs/dbraw/zinc/77/35/57/627773557.db2.gz SJLDIMFFLPNCEL-DLBZAZTESA-N 2 0 280.456 2.517 20 30 CFEDRP C[NH+]1CCN(c2ccc(C=[NH+]OC3CCCC3)cc2)CC1 ZINC000774597213 627940759 /nfs/dbraw/zinc/94/07/59/627940759.db2.gz QAHVOWFGRCFYKH-UHFFFAOYSA-N 2 0 287.407 2.732 20 30 CFEDRP C[N@H+](CCCCCC[NH3+])CCc1ccc(C#N)cc1 ZINC000852762004 634828330 /nfs/dbraw/zinc/82/83/30/634828330.db2.gz FKBMQJPEDQPACL-UHFFFAOYSA-N 2 0 259.397 2.552 20 30 CFEDRP C#Cc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000809545845 631231200 /nfs/dbraw/zinc/23/12/00/631231200.db2.gz SEHLHDNUOHWWCX-UHFFFAOYSA-N 2 0 282.431 2.976 20 30 CFEDRP C#CC[C@H]1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000843423794 631952070 /nfs/dbraw/zinc/95/20/70/631952070.db2.gz RFASYBZTJCGBLH-INIZCTEOSA-N 2 0 294.402 2.811 20 30 CFEDRP CCCCCCCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000817914109 632732391 /nfs/dbraw/zinc/73/23/91/632732391.db2.gz WQWSEXLVMHCSGA-RBSFLKMASA-N 2 0 256.434 2.689 20 30 CFEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCC[NH3+])cc1 ZINC000817938642 632742928 /nfs/dbraw/zinc/74/29/28/632742928.db2.gz OUYRMGSYGMBMEO-GFCCVEGCSA-N 2 0 268.788 2.817 20 30 CFEDRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(C#N)cc1 ZINC000817947646 632749254 /nfs/dbraw/zinc/74/92/54/632749254.db2.gz DSLWJNCYSGUDJC-CQSZACIVSA-N 2 0 279.387 2.910 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000817984906 632781186 /nfs/dbraw/zinc/78/11/86/632781186.db2.gz BXCUQZDVFJNOCD-DZOHQFGASA-N 2 0 298.430 2.737 20 30 CFEDRP COc1ccc(C[NH2+][C@H]2CCCN3CCCC[C@H]23)cc1C#N ZINC000848574533 633294010 /nfs/dbraw/zinc/29/40/10/633294010.db2.gz FJPSFJNAOPZELP-DLBZAZTESA-N 2 0 299.418 2.673 20 30 CFEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000848720591 633324404 /nfs/dbraw/zinc/32/44/04/633324404.db2.gz ZUAKOBFBVQWOGH-ARFHVFGLSA-N 2 0 287.407 2.727 20 30 CFEDRP C[C@H](C[NH+]=C(Nc1ccccc1)N1CCCCC1)[NH+](C)C ZINC000848996532 633452488 /nfs/dbraw/zinc/45/24/88/633452488.db2.gz CHSBYSXTEYUJBJ-OAHLLOKOSA-N 2 0 288.439 2.891 20 30 CFEDRP C[C@@H](CCC#N)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211863 636506008 /nfs/dbraw/zinc/50/60/08/636506008.db2.gz BLGAKHOWFZVBKA-AWEZNQCLSA-N 2 0 259.397 2.872 20 30 CFEDRP CC(C)[NH+]1CCC(CC[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000865717070 638532499 /nfs/dbraw/zinc/53/24/99/638532499.db2.gz NCRVFXBGRIIGJL-UHFFFAOYSA-N 2 0 292.452 2.615 20 30 CFEDRP Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)c1cccc(C#N)c1[O-] ZINC000866259011 638781987 /nfs/dbraw/zinc/78/19/87/638781987.db2.gz FGYBJLNVFYPVSI-STQMWFEESA-N 2 0 298.390 2.756 20 30 CFEDRP Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)c1cccc(C#N)c1[O-] ZINC000866259010 638782044 /nfs/dbraw/zinc/78/20/44/638782044.db2.gz FGYBJLNVFYPVSI-QWHCGFSZSA-N 2 0 298.390 2.756 20 30 CFEDRP CC(C)[NH+]1CCC(CC[NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000871911086 641510024 /nfs/dbraw/zinc/51/00/24/641510024.db2.gz FPZPKWZYASSFME-INIZCTEOSA-N 2 0 276.428 2.530 20 30 CFEDRP C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000872139332 641667242 /nfs/dbraw/zinc/66/72/42/641667242.db2.gz JHPMZYZGCGXNML-WRQOLXDDSA-N 2 0 260.425 2.641 20 30 CFEDRP C#CCCCCCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000876597200 642939951 /nfs/dbraw/zinc/93/99/51/642939951.db2.gz MRSXISWIPDOEPJ-MRXNPFEDSA-N 2 0 250.430 2.844 20 30 CFEDRP C[NH+]1CCC2(CC[N@H+](Cc3ccc(OCC#N)cc3)C2)CC1 ZINC000878864703 644054851 /nfs/dbraw/zinc/05/48/51/644054851.db2.gz LLFNRGJQFUIIJU-UHFFFAOYSA-N 2 0 299.418 2.507 20 30 CFEDRP CC[C@H](C)NC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000303253880 650991313 /nfs/dbraw/zinc/99/13/13/650991313.db2.gz DFADUTVSSLSOPC-GJZGRUSLSA-N 2 0 282.476 2.590 20 30 CFEDRP Cc1cccc(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC000303773711 651001474 /nfs/dbraw/zinc/00/14/74/651001474.db2.gz FJNXYAVKXLIYJL-INIZCTEOSA-N 2 0 288.439 2.842 20 30 CFEDRP C[C@@H]1CCCN(C(=[NH2+])NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000303898545 651008044 /nfs/dbraw/zinc/00/80/44/651008044.db2.gz RARNLMZIWWQURN-JKSUJKDBSA-N 2 0 294.487 2.545 20 30 CFEDRP CCCCCCNC(=[NH2+])NCCC[N@@H+]1CCCC[C@H]1C ZINC000303792184 651002994 /nfs/dbraw/zinc/00/29/94/651002994.db2.gz YFRNAULIUAUNOJ-OAHLLOKOSA-N 2 0 282.476 2.736 20 30 CFEDRP CC(C)Oc1ccc(NC(=[NH2+])NCC(C)(C)[NH+](C)C)cc1 ZINC000303791213 651003003 /nfs/dbraw/zinc/00/30/03/651003003.db2.gz XFAVPUNJNAGJLF-UHFFFAOYSA-N 2 0 292.427 2.541 20 30 CFEDRP CCCCCCNC(=[NH2+])NC[C@H](C)C[NH+]1CCCCC1 ZINC000303865856 651004545 /nfs/dbraw/zinc/00/45/45/651004545.db2.gz BUWOXCGQOGRJRX-HNNXBMFYSA-N 2 0 282.476 2.593 20 30 CFEDRP Cc1ccc(NC(=[NH2+])NCC[NH+]2CCC(C)CC2)cc1C ZINC000303876108 651005007 /nfs/dbraw/zinc/00/50/07/651005007.db2.gz DPZXVDVWAQMZMI-UHFFFAOYSA-N 2 0 288.439 2.762 20 30 CFEDRP CC1CC[NH+](CCCCNC(=[NH2+])N2CCC[C@H](C)C2)CC1 ZINC000303872501 651005170 /nfs/dbraw/zinc/00/51/70/651005170.db2.gz CAFNRUMHZRSVSI-INIZCTEOSA-N 2 0 294.487 2.545 20 30 CFEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@H](C)CCCC(C)C)C1 ZINC000303885535 651006417 /nfs/dbraw/zinc/00/64/17/651006417.db2.gz NHHRNQRKZQTJIM-HZPDHXFCSA-N 2 0 296.503 2.837 20 30 CFEDRP C[C@@H]1CCCN(C(=[NH2+])NCCC[N@H+](C)C2CCCCC2)C1 ZINC000303894519 651007246 /nfs/dbraw/zinc/00/72/46/651007246.db2.gz OYTCOEDEGJQIRU-OAHLLOKOSA-N 2 0 294.487 2.688 20 30 CFEDRP Cc1cc(C)cc(NC(=[NH2+])NCC[N@@H+](C)C2CCCC2)c1 ZINC000304751276 651031425 /nfs/dbraw/zinc/03/14/25/651031425.db2.gz JCXVIJQQGCMJCW-UHFFFAOYSA-N 2 0 288.439 2.904 20 30 CFEDRP C=CCC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CCCO1 ZINC000883195144 645655318 /nfs/dbraw/zinc/65/53/18/645655318.db2.gz LRWZCXLOXVKQNQ-LTIDMASMSA-N 2 0 280.456 2.963 20 30 CFEDRP CCN(CC)C(=[NH2+])NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000304757160 651032049 /nfs/dbraw/zinc/03/20/49/651032049.db2.gz OMDXTNZZNRBBHC-MRXNPFEDSA-N 2 0 294.487 2.688 20 30 CFEDRP CC(C)[NH+](CCCNC(=[NH2+])N1CCCCCC1)C(C)C ZINC000305082784 651047170 /nfs/dbraw/zinc/04/71/70/651047170.db2.gz SVPBCIDJTRKOHM-UHFFFAOYSA-N 2 0 282.476 2.686 20 30 CFEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000104191512 647556321 /nfs/dbraw/zinc/55/63/21/647556321.db2.gz KOEVAXKYNJNSSV-CYBMUJFWSA-N 2 0 288.439 2.632 20 30 CFEDRP C=CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccncc1 ZINC000925498117 648184185 /nfs/dbraw/zinc/18/41/85/648184185.db2.gz MJXRBENDIRIFLF-SOUVJXGZSA-N 2 0 257.381 2.558 20 30 CFEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925619484 648242561 /nfs/dbraw/zinc/24/25/61/648242561.db2.gz OBEAHJWHQNWVTR-HYVNUMGLSA-N 2 0 299.418 2.727 20 30 CFEDRP C=CCC[C@H](CC)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925751650 648307606 /nfs/dbraw/zinc/30/76/06/648307606.db2.gz QLGPJYHOPNLUIR-NSHDSACASA-N 2 0 265.426 2.705 20 30 CFEDRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC1CCC(C#N)CC1)C2 ZINC000930602297 649284910 /nfs/dbraw/zinc/28/49/10/649284910.db2.gz PKQVJZFVGNGYNZ-JCYILVPMSA-N 2 0 275.440 2.734 20 30 CFEDRP CCCCCCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001128783574 780832662 /nfs/dbraw/zinc/83/26/62/780832662.db2.gz IGKHTOBSHFDIRH-INIZCTEOSA-N 2 0 297.487 2.537 20 30 CFEDRP C=CCCCCC[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC001209423243 770077474 /nfs/dbraw/zinc/07/74/74/770077474.db2.gz KKDRTXVTYYGTTC-UHFFFAOYSA-N 2 0 281.488 2.692 20 30 CFEDRP C#CCN(C)CCC[NH2+][C@H](CC)c1ccc(F)cc1 ZINC000328280953 775737559 /nfs/dbraw/zinc/73/75/59/775737559.db2.gz POPUSCWLHLERGP-MRXNPFEDSA-N 2 0 262.372 2.822 20 30 CFEDRP C=CCOc1cccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1 ZINC001231622440 777281890 /nfs/dbraw/zinc/28/18/90/777281890.db2.gz ZUDCKBWXNQIVFB-SJORKVTESA-N 2 0 286.419 2.635 20 30 CFEDRP N#CC[C@@H]1CCC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232014084 777412622 /nfs/dbraw/zinc/41/26/22/777412622.db2.gz JRMRWNHUSFRWMX-LBPRGKRZSA-N 2 0 254.337 2.689 20 30 CFEDRP N#C[C@H]1CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168355857 778455726 /nfs/dbraw/zinc/45/57/26/778455726.db2.gz CTSANJCIIXMVMB-CTYIDZIISA-N 2 0 261.413 2.533 20 30 CFEDRP CCCCCCCC[N@H+](C)CC[C@@H]1C[NH2+]CCO1 ZINC001235663903 778530457 /nfs/dbraw/zinc/53/04/57/778530457.db2.gz NJMHBVSBBAGGAK-OAHLLOKOSA-N 2 0 256.434 2.657 20 30 CFEDRP CCCCCCC[N@H+](CC)CC[C@@H]1C[NH2+]CCO1 ZINC001235663676 778530686 /nfs/dbraw/zinc/53/06/86/778530686.db2.gz XCEXQKJAIDQBHQ-OAHLLOKOSA-N 2 0 256.434 2.657 20 30 CFEDRP CCCCCCCC[N@H+](C)Cc1cnc2n1CC[NH2+]CC2 ZINC001235663879 778530727 /nfs/dbraw/zinc/53/07/27/778530727.db2.gz MSGMRPKCSKBGSZ-UHFFFAOYSA-N 2 0 292.471 2.821 20 30 CFEDRP CCCCCCC/C=C/C[N@H+](C)CCN1CC[NH2+]CC1 ZINC001236081271 778684743 /nfs/dbraw/zinc/68/47/43/778684743.db2.gz ACPPSIZZCCTEFM-MDZDMXLPSA-N 2 0 281.488 2.740 20 30 CFEDRP C=CCCCCCCCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC001236081334 778684865 /nfs/dbraw/zinc/68/48/65/778684865.db2.gz DJTWVFQPGPJGHZ-UHFFFAOYSA-N 2 0 281.488 2.740 20 30 CFEDRP N#Cc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1Cl ZINC001236320988 778777636 /nfs/dbraw/zinc/77/76/36/778777636.db2.gz VFSKBSHHDITYHQ-OKILXGFUSA-N 2 0 289.810 2.643 20 30 CFEDRP C#CC[N@@H+](C)Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237886358 779200348 /nfs/dbraw/zinc/20/03/48/779200348.db2.gz MYUZSEMOSZOUJL-UHFFFAOYSA-N 2 0 254.377 2.753 20 30 CFEDRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(C#N)c1 ZINC000594508974 349435263 /nfs/dbraw/zinc/43/52/63/349435263.db2.gz GANLAGKXXWITKC-XPKDYRNWSA-N 2 0 257.381 2.549 20 30 CFEDRP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(C#N)cc1 ZINC000594511158 349435732 /nfs/dbraw/zinc/43/57/32/349435732.db2.gz RNDVTDVXGUNVBP-HYVNUMGLSA-N 2 0 271.408 2.939 20 30 CFEDRP C[C@@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)C[NH+](C)C ZINC000594944368 349522855 /nfs/dbraw/zinc/52/28/55/349522855.db2.gz OLVPKAVKVFIQBL-AWEZNQCLSA-N 2 0 271.408 2.529 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(C#N)cc2)[C@@H]2CCC[C@@H]21 ZINC000595055987 349567263 /nfs/dbraw/zinc/56/72/63/349567263.db2.gz ODGAIDDKUQRAKL-BZSNNMDCSA-N 2 0 283.419 2.563 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(C#N)cc2)[C@H]2CCC[C@@H]21 ZINC000595055990 349567505 /nfs/dbraw/zinc/56/75/05/349567505.db2.gz ODGAIDDKUQRAKL-SQNIBIBYSA-N 2 0 283.419 2.563 20 30 CFEDRP C[N@H+](CCc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000595480910 349639520 /nfs/dbraw/zinc/63/95/20/349639520.db2.gz ATFXPCCQRRSOOB-JWTNVVGKSA-N 2 0 283.419 2.658 20 30 CFEDRP N#Cc1ccc(CC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000595884973 349760556 /nfs/dbraw/zinc/76/05/56/349760556.db2.gz KEALIYSMESOROI-ZWKOTPCHSA-N 2 0 283.419 2.565 20 30 CFEDRP C[C@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000595892430 349763090 /nfs/dbraw/zinc/76/30/90/349763090.db2.gz QXSGDACPIUEAMU-IINYFYTJSA-N 2 0 297.324 2.746 20 30 CFEDRP C[C@@]1(C#N)CC[N@H+](CCCCC[NH+]2CC[C@](C)(C#N)C2)C1 ZINC000595839701 349750546 /nfs/dbraw/zinc/75/05/46/349750546.db2.gz IHCCGVZAFSRKFT-CALCHBBNSA-N 2 0 288.439 2.628 20 30 CFEDRP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(CC#N)cc3)C2)C1 ZINC000334719304 530065446 /nfs/dbraw/zinc/06/54/46/530065446.db2.gz ADRIDSJCNRSJAY-SFHVURJKSA-N 2 0 283.419 2.670 20 30 CFEDRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc(C#N)cc1 ZINC000596650573 349968806 /nfs/dbraw/zinc/96/88/06/349968806.db2.gz LOOAODSTICUIJO-KXBFYZLASA-N 2 0 293.414 2.649 20 30 CFEDRP C[NH+](C)CCC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000056524799 346610948 /nfs/dbraw/zinc/61/09/48/346610948.db2.gz HMJQPVGYDMOSHE-UHFFFAOYSA-N 2 0 289.398 2.861 20 30 CFEDRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591573440 349031181 /nfs/dbraw/zinc/03/11/81/349031181.db2.gz WXKIRFBPSNGRQH-NHYWBVRUSA-N 2 0 277.799 2.689 20 30 CFEDRP CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000591578301 349031840 /nfs/dbraw/zinc/03/18/40/349031840.db2.gz NEBHGGIHWDJYMA-CVEARBPZSA-N 2 0 257.381 2.741 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCC([NH3+])CC1 ZINC000591578017 349031849 /nfs/dbraw/zinc/03/18/49/349031849.db2.gz MINUCVWNVIBEOY-VMBOVVBDSA-N 2 0 269.392 2.795 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000591579369 349032256 /nfs/dbraw/zinc/03/22/56/349032256.db2.gz RCUKRRDWYAMSFN-IAGOWNOFSA-N 2 0 281.403 2.667 20 30 CFEDRP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(C#N)c1 ZINC000591582308 349032999 /nfs/dbraw/zinc/03/29/99/349032999.db2.gz FZFPRMNHPGHLKY-BBRMVZONSA-N 2 0 269.392 2.884 20 30 CFEDRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000414185006 233190288 /nfs/dbraw/zinc/19/02/88/233190288.db2.gz OFXHXNAXDSYZSY-CABCVRRESA-N 2 0 271.408 2.941 20 30 CFEDRP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000592493399 349127764 /nfs/dbraw/zinc/12/77/64/349127764.db2.gz OPZKWLZEMKBJMK-ZWKOTPCHSA-N 2 0 283.419 2.770 20 30 CFEDRP N#CC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCC1 ZINC000593654551 349304596 /nfs/dbraw/zinc/30/45/96/349304596.db2.gz HSYPHQFJGJSTTJ-UHFFFAOYSA-N 2 0 284.407 2.724 20 30 CFEDRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594497720 349431403 /nfs/dbraw/zinc/43/14/03/349431403.db2.gz DOZFXIGBXWGQJD-INIZCTEOSA-N 2 0 285.435 2.919 20 30 CFEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000598718914 350317297 /nfs/dbraw/zinc/31/72/97/350317297.db2.gz HQOXAOZBKXJYQS-MRXNPFEDSA-N 2 0 295.471 2.533 20 30 CFEDRP N#CCc1cccc2c1CC[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000600750557 350605911 /nfs/dbraw/zinc/60/59/11/350605911.db2.gz LIZYAYIZYRQRFJ-UHFFFAOYSA-N 2 0 283.419 2.500 20 30 CFEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602515069 350911237 /nfs/dbraw/zinc/91/12/37/350911237.db2.gz SZJWNTXINHKXTN-OAHLLOKOSA-N 2 0 286.423 2.555 20 30 CFEDRP C[C@@H](CCC#N)C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000602512432 350911630 /nfs/dbraw/zinc/91/16/30/350911630.db2.gz BEYJXCVFYUJDTK-HRCADAONSA-N 2 0 265.445 2.884 20 30 CFEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)CCC#N)[C@@H](C)C1 ZINC000602547385 350919896 /nfs/dbraw/zinc/91/98/96/350919896.db2.gz XXVHHWHMOMVIJY-IKGGRYGDSA-N 2 0 295.471 2.653 20 30 CFEDRP C[C@@H](CCC#N)C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000602547538 350920058 /nfs/dbraw/zinc/92/00/58/350920058.db2.gz UPTYPEXNSFFSAN-KBPBESRZSA-N 2 0 253.434 2.882 20 30 CFEDRP C[C@H](CCC#N)C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000602583609 350934487 /nfs/dbraw/zinc/93/44/87/350934487.db2.gz ZVTNLDZEXTWJHQ-OAHLLOKOSA-N 2 0 286.423 2.827 20 30 CFEDRP C[C@H](CCC#N)C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000602647390 350961213 /nfs/dbraw/zinc/96/12/13/350961213.db2.gz IAWSOFZZOFBBPY-QRQLOZEOSA-N 2 0 297.446 2.990 20 30 CFEDRP N#CC1CCC([NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000602673987 350971485 /nfs/dbraw/zinc/97/14/85/350971485.db2.gz AZUVFNBTTKLUPP-UHFFFAOYSA-N 2 0 263.429 2.924 20 30 CFEDRP CC(C)C[N@H+](C)CCC[NH2+]C1CCC(C#N)CC1 ZINC000602700629 350987174 /nfs/dbraw/zinc/98/71/74/350987174.db2.gz VCLDKWSGCZBTPQ-UHFFFAOYSA-N 2 0 251.418 2.636 20 30 CFEDRP C[C@H]([NH2+]CC1(CC#N)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000602812591 351035055 /nfs/dbraw/zinc/03/50/55/351035055.db2.gz UEZHJXMGPGBSSV-GJZGRUSLSA-N 2 0 275.440 2.923 20 30 CFEDRP C[N@H+](CCCC[NH+]1CCCCC1)[C@@H]1CC[C@H](C#N)C1 ZINC000603119806 351106576 /nfs/dbraw/zinc/10/65/76/351106576.db2.gz LSCHMEXARNHTJP-JKSUJKDBSA-N 2 0 263.429 2.877 20 30 CFEDRP C#CCC[NH+]1CCN(c2cc(CC)[nH+]c3ccccc32)CC1 ZINC000301976655 540268207 /nfs/dbraw/zinc/26/82/07/540268207.db2.gz DRYCUYQQNOKUNG-UHFFFAOYSA-N 2 0 293.414 2.943 20 30 CFEDRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423311460 238367037 /nfs/dbraw/zinc/36/70/37/238367037.db2.gz TYFOUYINVWNWNR-MLGOLLRUSA-N 2 0 257.381 2.510 20 30 CFEDRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000181557962 189300515 /nfs/dbraw/zinc/30/05/15/189300515.db2.gz PBUGHILFYNPJCU-HOCLYGCPSA-N 2 0 271.408 2.941 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(C#N)c(F)c1 ZINC000423550157 238527635 /nfs/dbraw/zinc/52/76/35/238527635.db2.gz SLUVFPZQUQBTTD-VCOSZWKGSA-N 2 0 287.382 2.736 20 30 CFEDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181875379 189309090 /nfs/dbraw/zinc/30/90/90/189309090.db2.gz VMSDCMWPRMITLH-RHSMWYFYSA-N 2 0 289.423 2.566 20 30 CFEDRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000037644017 372677606 /nfs/dbraw/zinc/67/76/06/372677606.db2.gz AZAKLTRTMPQTND-DZGCQCFKSA-N 2 0 257.381 2.551 20 30 CFEDRP C[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)C[NH+]1CCCC1 ZINC000062078857 373747226 /nfs/dbraw/zinc/74/72/26/373747226.db2.gz VPVJSOIRCZUWAA-HUUCEWRRSA-N 2 0 271.408 2.941 20 30 CFEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc(C)c(C)c2)C1 ZINC000264131852 383698874 /nfs/dbraw/zinc/69/88/74/383698874.db2.gz YDHOZGGIFZZSGE-HNNXBMFYSA-N 2 0 288.439 2.762 20 30 CFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000264141483 383700674 /nfs/dbraw/zinc/70/06/74/383700674.db2.gz WRPSRPVTHRPFLG-OAHLLOKOSA-N 2 0 274.412 2.514 20 30 CFEDRP CCc1cccc(NC(=[NH2+])NCCC[NH+](CC)CC)c1 ZINC000264142198 383700762 /nfs/dbraw/zinc/70/07/62/383700762.db2.gz WVFBNRJLICHSPW-UHFFFAOYSA-N 2 0 276.428 2.708 20 30 CFEDRP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000093489859 375253724 /nfs/dbraw/zinc/25/37/24/375253724.db2.gz RWJRQPVYEFMGBV-FGTMMUONSA-N 2 0 283.419 2.959 20 30 CFEDRP CCN(CC)[C@@H](C[NH+]=C(N(C)C)N(C)C)c1ccsc1 ZINC000104166763 375771659 /nfs/dbraw/zinc/77/16/59/375771659.db2.gz KDUOUAOKVJGLOM-AWEZNQCLSA-N 2 0 296.484 2.610 20 30 CFEDRP Cc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC000104172478 375772065 /nfs/dbraw/zinc/77/20/65/375772065.db2.gz MWFBVPJRTGWDSO-AWEZNQCLSA-N 2 0 286.423 2.514 20 30 CFEDRP C[NH+](C)CC1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000119857677 376489469 /nfs/dbraw/zinc/48/94/69/376489469.db2.gz CTWPEYICNXNNCY-UHFFFAOYSA-N 2 0 271.408 2.768 20 30 CFEDRP C=C(C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000122561523 376931287 /nfs/dbraw/zinc/93/12/87/376931287.db2.gz WMJGDQFIALQWHE-UHFFFAOYSA-N 2 0 258.409 2.859 20 30 CFEDRP C=C(Cl)C[N@@H+](C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000125312203 377139669 /nfs/dbraw/zinc/13/96/69/377139669.db2.gz SUNVTTABWLYIKV-UHFFFAOYSA-N 2 0 294.830 2.747 20 30 CFEDRP C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000129062655 377378662 /nfs/dbraw/zinc/37/86/62/377378662.db2.gz CLXNPUIQPNRIMY-ZWKOTPCHSA-N 2 0 294.483 2.757 20 30 CFEDRP C[C@@H]1C[C@@H](N(C)CC#Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000154293125 378555268 /nfs/dbraw/zinc/55/52/68/378555268.db2.gz JGEUGOUGYQWXLO-PBHICJAKSA-N 2 0 274.383 2.592 20 30 CFEDRP C[C@H]1C[C@H](N(C)CC#Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000154293009 378555707 /nfs/dbraw/zinc/55/57/07/378555707.db2.gz JGEUGOUGYQWXLO-WMLDXEAASA-N 2 0 274.383 2.592 20 30 CFEDRP COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1C#N ZINC000266134836 190233478 /nfs/dbraw/zinc/23/34/78/190233478.db2.gz FCZRPEPIGVYJQB-ALOPSCKCSA-N 2 0 299.418 2.672 20 30 CFEDRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000164515998 379017291 /nfs/dbraw/zinc/01/72/91/379017291.db2.gz IAZNJQZSZCWNIM-AWEZNQCLSA-N 2 0 271.408 2.941 20 30 CFEDRP N#CC1CCC(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000334384804 379202910 /nfs/dbraw/zinc/20/29/10/379202910.db2.gz MGBJFBDYWYEQOO-CKUJCDMFSA-N 2 0 261.413 2.533 20 30 CFEDRP C[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000180542458 380673833 /nfs/dbraw/zinc/67/38/33/380673833.db2.gz NZOHOJFBRVBXMH-DZKIICNBSA-N 2 0 299.418 2.865 20 30 CFEDRP CC(CC[NH+](C)C[C@H](C)C#N)CC[N@H+](C)C[C@H](C)C#N ZINC000411225822 381018693 /nfs/dbraw/zinc/01/86/93/381018693.db2.gz MEZHXXGYSZIYHG-HZPDHXFCSA-N 2 0 278.444 2.586 20 30 CFEDRP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000411300943 381021584 /nfs/dbraw/zinc/02/15/84/381021584.db2.gz NGQWSMIPSXOLQX-HNNXBMFYSA-N 2 0 281.444 2.501 20 30 CFEDRP C#C[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000289579793 381052484 /nfs/dbraw/zinc/05/24/84/381052484.db2.gz TWMNGKGOGVBSNO-UXLLHSPISA-N 2 0 256.393 2.651 20 30 CFEDRP C#C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000289630476 381077201 /nfs/dbraw/zinc/07/72/01/381077201.db2.gz WVLOEQKQYQOSQQ-DZJNRPSUSA-N 2 0 268.404 2.508 20 30 CFEDRP C=CC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000184743410 381471177 /nfs/dbraw/zinc/47/11/77/381471177.db2.gz SQMRIHQNROGIMH-GJZGRUSLSA-N 2 0 258.409 2.919 20 30 CFEDRP CC(C)(C)[NH+]1CCC([NH2+]CCc2cccc(C#N)c2)CC1 ZINC000343534616 381780682 /nfs/dbraw/zinc/78/06/82/381780682.db2.gz NESPVGLWNOSAQH-UHFFFAOYSA-N 2 0 285.435 2.953 20 30 CFEDRP C[N@@H+]1CCC[C@@]2(CCN(Cc3ccc(F)c(C#N)c3)C2)C1 ZINC000292848871 381863761 /nfs/dbraw/zinc/86/37/61/381863761.db2.gz BRQSPTSBQXJCIM-QGZVFWFLSA-N 2 0 287.382 2.615 20 30 CFEDRP C[N@H+](C[C@@H]1CC12CC[NH+](CCCCC#N)CC2)C1CC1 ZINC000362105773 381913731 /nfs/dbraw/zinc/91/37/31/381913731.db2.gz JIVCMBTUJRXDET-HNNXBMFYSA-N 2 0 275.440 2.877 20 30 CFEDRP C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343992062 382054306 /nfs/dbraw/zinc/05/43/06/382054306.db2.gz RBSZMLHZBSYZCP-CABCVRRESA-N 2 0 291.439 2.712 20 30 CFEDRP C#CCC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000362454862 382079463 /nfs/dbraw/zinc/07/94/63/382079463.db2.gz VRDRROZDRXNABJ-MRXNPFEDSA-N 2 0 262.441 2.986 20 30 CFEDRP C=C(C)CN(C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000375360478 382081319 /nfs/dbraw/zinc/08/13/19/382081319.db2.gz GAZVZCHNQGXFGX-GOSISDBHSA-N 2 0 288.435 2.785 20 30 CFEDRP CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccc(C#N)cc1 ZINC000293872119 382315718 /nfs/dbraw/zinc/31/57/18/382315718.db2.gz YGHSAJHSBJQNHQ-CZUORRHYSA-N 2 0 259.397 2.797 20 30 CFEDRP CC1CCN(C(=[NH2+])NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000303358399 382356699 /nfs/dbraw/zinc/35/66/99/382356699.db2.gz AJVHLBUXRGQAPR-DOTOQJQBSA-N 2 0 294.487 2.544 20 30 CFEDRP N#Cc1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c(F)c1 ZINC000365551141 382411236 /nfs/dbraw/zinc/41/12/36/382411236.db2.gz VKBYLLASXRHZGF-SOLBZPMBSA-N 2 0 299.393 2.613 20 30 CFEDRP C=CC[NH+](CC=C)[C@H](CNc1cc[nH+]c(C)c1)C(C)C ZINC000358150348 382470118 /nfs/dbraw/zinc/47/01/18/382470118.db2.gz MUZTXJAQNUKZKV-QGZVFWFLSA-N 2 0 273.424 2.922 20 30 CFEDRP C=CCOc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000311884807 382509041 /nfs/dbraw/zinc/50/90/41/382509041.db2.gz YZIVIGGOSXAXCL-AWEZNQCLSA-N 2 0 262.397 2.539 20 30 CFEDRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)ccc1C#N ZINC000353611984 382577412 /nfs/dbraw/zinc/57/74/12/382577412.db2.gz PUWXGGWYRBWERV-BRWVUGGUSA-N 2 0 299.418 2.529 20 30 CFEDRP Cn1cc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)cc1C#N ZINC000189575025 382625679 /nfs/dbraw/zinc/62/56/79/382625679.db2.gz NUTAQDDHEGVDTQ-UHFFFAOYSA-N 2 0 296.418 2.508 20 30 CFEDRP N#Cc1ccc(OCC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422988066 382999304 /nfs/dbraw/zinc/99/93/04/382999304.db2.gz IADBCUAVVHPDRJ-ROUUACIJSA-N 2 0 293.370 2.671 20 30 CFEDRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc(C#N)c1 ZINC000423010108 383009770 /nfs/dbraw/zinc/00/97/70/383009770.db2.gz WZNDTSJWRLFNEG-XEZPLFJOSA-N 2 0 257.381 2.597 20 30 CFEDRP N#CCCC1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000579722875 383046854 /nfs/dbraw/zinc/04/68/54/383046854.db2.gz RQRFYBAQBXMSKT-UHFFFAOYSA-N 2 0 283.419 2.848 20 30 CFEDRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000555337338 383148506 /nfs/dbraw/zinc/14/85/06/383148506.db2.gz PWOSWAREERXEPN-HZPDHXFCSA-N 2 0 263.429 2.731 20 30 CFEDRP C=CCCCC[C@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000449079550 383165335 /nfs/dbraw/zinc/16/53/35/383165335.db2.gz ZFACRMYNLHTSSC-ROUUACIJSA-N 2 0 295.515 2.983 20 30 CFEDRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000249378541 383342647 /nfs/dbraw/zinc/34/26/47/383342647.db2.gz OFHZBDCQSSEMFO-UKRRQHHQSA-N 2 0 257.381 2.551 20 30 CFEDRP C=CCCC[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000253296062 383450322 /nfs/dbraw/zinc/45/03/22/383450322.db2.gz NXNUEWFXAVSCQS-JKSUJKDBSA-N 2 0 268.445 2.679 20 30 CFEDRP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1C#N ZINC000488172274 383502898 /nfs/dbraw/zinc/50/28/98/383502898.db2.gz RESLEVMELRFWCZ-ZWKOTPCHSA-N 2 0 283.419 2.783 20 30 CFEDRP CC(C)[C@@H](C)[NH+](C)CC#CC[N@@H+](C)[C@H](C)C(C)C ZINC000530471351 383770667 /nfs/dbraw/zinc/77/06/67/383770667.db2.gz IYUMKJXYDWDXSW-HZPDHXFCSA-N 2 0 252.446 2.942 20 30 CFEDRP CCNC(=[NH2+])NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000267461405 384397330 /nfs/dbraw/zinc/39/73/30/384397330.db2.gz VFITZEOBCIAHKR-CQSZACIVSA-N 2 0 288.439 2.574 20 30 CFEDRP CC(C)C[C@@H](CNC(=[NH2+])N(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000267473330 384399173 /nfs/dbraw/zinc/39/91/73/384399173.db2.gz YPGLJLQAOCJAAG-HOCLYGCPSA-N 2 0 290.455 2.628 20 30 CFEDRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000271938650 385405737 /nfs/dbraw/zinc/40/57/37/385405737.db2.gz ODUOAMWDGKHEMT-QWHCGFSZSA-N 2 0 275.371 2.690 20 30 CFEDRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000271972506 385415002 /nfs/dbraw/zinc/41/50/02/385415002.db2.gz UVUVGXHRROOZCF-GFCCVEGCSA-N 2 0 273.355 2.610 20 30 CFEDRP C=CC[N@H+](CCCn1ccnc1C)CCc1ccco1 ZINC000272262291 385491479 /nfs/dbraw/zinc/49/14/79/385491479.db2.gz KDCHCJNSLGITMZ-UHFFFAOYSA-N 2 0 273.380 2.905 20 30 CFEDRP C[C@@H]([NH2+]CCCCC#N)c1cccc(OCC[NH+](C)C)c1 ZINC000178643528 393446183 /nfs/dbraw/zinc/44/61/83/393446183.db2.gz KXBGSJJODOSKSW-OAHLLOKOSA-N 2 0 289.423 2.971 20 30 CFEDRP C#CCC[NH+]1CCN(c2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000302080921 393488494 /nfs/dbraw/zinc/48/84/94/393488494.db2.gz LHYJIMOVEYYRIJ-UHFFFAOYSA-N 2 0 293.414 2.997 20 30 CFEDRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC000339059614 393813976 /nfs/dbraw/zinc/81/39/76/393813976.db2.gz GHCPHIVLXMYWPH-AEFFLSMTSA-N 2 0 298.434 2.922 20 30 CFEDRP COc1cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1C#N ZINC000424375331 393841586 /nfs/dbraw/zinc/84/15/86/393841586.db2.gz JLGFCAHITBSEON-AWEZNQCLSA-N 2 0 299.418 2.531 20 30 CFEDRP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)CCN1C ZINC000353253285 394027175 /nfs/dbraw/zinc/02/71/75/394027175.db2.gz LBSPLLAHXONSSE-VMGRFDJRSA-N 2 0 269.392 2.618 20 30 CFEDRP C#CC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000366793412 394247701 /nfs/dbraw/zinc/24/77/01/394247701.db2.gz YDDAOLLZCRSOFI-GDAAHCPNSA-N 2 0 282.431 2.898 20 30 CFEDRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000423543734 394294993 /nfs/dbraw/zinc/29/49/93/394294993.db2.gz VSLONRJAVZKMBB-LBPRGKRZSA-N 2 0 273.355 2.658 20 30 CFEDRP CC1CC[NH+](C[C@@H]2CCCN(CCCC#N)C2)CC1 ZINC000154725056 394300616 /nfs/dbraw/zinc/30/06/16/394300616.db2.gz YWFJNKWBUYDDFS-MRXNPFEDSA-N 2 0 263.429 2.734 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@H]2CCC[C@H]21 ZINC000453375191 394392292 /nfs/dbraw/zinc/39/22/92/394392292.db2.gz HWOXZUDHGDRZJK-HYVNUMGLSA-N 2 0 287.382 2.660 20 30 CFEDRP C=CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc1 ZINC000647498121 395362138 /nfs/dbraw/zinc/36/21/38/395362138.db2.gz ATVNINJDWYPDFX-RDJZCZTQSA-N 2 0 274.408 2.811 20 30 CFEDRP C=CCOc1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1OC ZINC000663497775 413241653 /nfs/dbraw/zinc/24/16/53/413241653.db2.gz GFHOSMJQCGGZKV-OAHLLOKOSA-N 2 0 292.423 2.723 20 30 CFEDRP N#Cc1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1F ZINC000373812068 157033448 /nfs/dbraw/zinc/03/34/48/157033448.db2.gz KEAYAOAUWYYWBQ-JFIYKMOQSA-N 2 0 299.393 2.613 20 30 CFEDRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000346218448 162355289 /nfs/dbraw/zinc/35/52/89/162355289.db2.gz UIJXKTNXOMGCNQ-LBPRGKRZSA-N 2 0 275.371 2.690 20 30 CFEDRP C=CC[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C1 ZINC000651706064 413581481 /nfs/dbraw/zinc/58/14/81/413581481.db2.gz QYWPBTBELOUIIM-FUHWJXTLSA-N 2 0 293.499 2.594 20 30 CFEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000657898979 414040041 /nfs/dbraw/zinc/04/00/41/414040041.db2.gz SFRHTWPKXCKVSF-SJLPKXTDSA-N 2 0 293.499 2.737 20 30 CFEDRP C=CCC[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070078 414152440 /nfs/dbraw/zinc/15/24/40/414152440.db2.gz KSXHNUHLBKQJQM-HNNXBMFYSA-N 2 0 280.456 2.822 20 30 CFEDRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(OCC#N)cc1 ZINC000045663941 260652404 /nfs/dbraw/zinc/65/24/04/260652404.db2.gz QTGRVIKWJYMDAM-CQSZACIVSA-N 2 0 275.396 2.581 20 30 CFEDRP C[C@H]1CCC[N@H+](CCCCNC(=[NH2+])Nc2ccccc2)C1 ZINC000161508435 261249092 /nfs/dbraw/zinc/24/90/92/261249092.db2.gz UGQWQYWFBKLXKY-HNNXBMFYSA-N 2 0 288.439 2.925 20 30 CFEDRP C[C@@H]1CCC[N@H+](CCCCNC(=[NH2+])Nc2ccccc2)C1 ZINC000161508316 261249278 /nfs/dbraw/zinc/24/92/78/261249278.db2.gz UGQWQYWFBKLXKY-OAHLLOKOSA-N 2 0 288.439 2.925 20 30 CFEDRP CC(C)c1cccc(NC(=[NH2+])NCC[NH+]2CCCC2)c1 ZINC000170907838 261447584 /nfs/dbraw/zinc/44/75/84/261447584.db2.gz CXUDBAVIZIMQFS-UHFFFAOYSA-N 2 0 274.412 2.632 20 30 CFEDRP C[C@H]([NH2+]C1(CNC(=[NH2+])N(C)C)CCCC1)c1ccccc1 ZINC000178572895 261751243 /nfs/dbraw/zinc/75/12/43/261751243.db2.gz AHZLJFNEXNIDSN-AWEZNQCLSA-N 2 0 288.439 2.526 20 30 CFEDRP Cc1nccn1CCCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185714279 262067892 /nfs/dbraw/zinc/06/78/92/262067892.db2.gz ONWISQSBPDWGNG-GJZGRUSLSA-N 2 0 260.385 2.644 20 30 CFEDRP CC[NH+](CC)CC1CC[NH+](CCCCC#N)CC1 ZINC000336731905 262386002 /nfs/dbraw/zinc/38/60/02/262386002.db2.gz RQMZMUHKGULGRB-UHFFFAOYSA-N 2 0 251.418 2.734 20 30 CFEDRP N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000297499623 263205527 /nfs/dbraw/zinc/20/55/27/263205527.db2.gz LHARLDNJPHILCC-OCCSQVGLSA-N 2 0 254.337 2.506 20 30 CFEDRP C=CCOc1ccccc1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415052572 263259694 /nfs/dbraw/zinc/25/96/94/263259694.db2.gz IPSTZXRMTHNRFF-RHSMWYFYSA-N 2 0 274.408 2.668 20 30 CFEDRP C=CC[C@H](CO)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000341891070 263364379 /nfs/dbraw/zinc/36/43/79/263364379.db2.gz UYWSYTFFVLCUHR-SOLBZPMBSA-N 2 0 294.483 2.804 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CCC#N)[C@@H]2CCC[C@@H]21 ZINC000367904952 267126489 /nfs/dbraw/zinc/12/64/89/267126489.db2.gz SMUOQMMDMKMENM-KKUMJFAQSA-N 2 0 263.429 2.779 20 30 CFEDRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000414172602 278348010 /nfs/dbraw/zinc/34/80/10/278348010.db2.gz FNINKNWURLRLBT-ZBFHGGJFSA-N 2 0 271.408 2.941 20 30 CFEDRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(C#N)cc1 ZINC000423545144 288072456 /nfs/dbraw/zinc/07/24/56/288072456.db2.gz OUSBANPMHSGEKQ-MLHJIOFPSA-N 2 0 283.419 2.987 20 30 CFEDRP CC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(C#N)cc1 ZINC000423501349 288072460 /nfs/dbraw/zinc/07/24/60/288072460.db2.gz JLBZNZPGEAGTPK-IMJJTQAJSA-N 2 0 257.381 2.726 20 30 CFEDRP C[C@@H]([NH2+]CCCC#N)c1cccc(OCC[NH+](C)C)c1 ZINC000273195789 328204488 /nfs/dbraw/zinc/20/44/88/328204488.db2.gz HTYMIMXNDKZWQH-CQSZACIVSA-N 2 0 275.396 2.581 20 30 CFEDRP N#Cc1ccccc1CSCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000582072632 325174376 /nfs/dbraw/zinc/17/43/76/325174376.db2.gz BPEJMEQSJQJCAN-HOTGVXAUSA-N 2 0 289.448 2.651 20 30 CFEDRP Cc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1C#N ZINC000583720719 325306342 /nfs/dbraw/zinc/30/63/42/325306342.db2.gz VRTROSUDGLSKAA-QZTJIDSGSA-N 2 0 283.419 2.783 20 30 CFEDRP C=CCCCC[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000449125360 327024732 /nfs/dbraw/zinc/02/47/32/327024732.db2.gz RWMAYBQWRITVRQ-SJORKVTESA-N 2 0 282.472 2.804 20 30 CFEDRP CC(C)(C#N)CCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000377935891 329035224 /nfs/dbraw/zinc/03/52/24/329035224.db2.gz AWPSAGQJFBNFEP-OAGGEKHMSA-N 2 0 275.440 2.732 20 30 CFEDRP C=C(C)C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177497706 329184969 /nfs/dbraw/zinc/18/49/69/329184969.db2.gz ZTZADIPUYMOZHS-HOTGVXAUSA-N 2 0 280.456 2.774 20 30 CFEDRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185772611 329331610 /nfs/dbraw/zinc/33/16/10/329331610.db2.gz OZZXJLZDGQTGOU-GOEBONIOSA-N 2 0 263.429 2.779 20 30 CFEDRP C=CCOc1ccccc1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422912463 330160162 /nfs/dbraw/zinc/16/01/62/330160162.db2.gz WEGITLGTIQQQEC-ZBFHGGJFSA-N 2 0 274.408 2.729 20 30 CFEDRP C=C(C)CN1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422976693 330162231 /nfs/dbraw/zinc/16/22/31/330162231.db2.gz IQPROECMIYQPFC-OKZBNKHCSA-N 2 0 291.483 2.537 20 30 CFEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423094304 330169593 /nfs/dbraw/zinc/16/95/93/330169593.db2.gz JUMXMBZOAHTLOB-HPBDAGMYSA-N 2 0 288.435 2.516 20 30 CFEDRP C=CCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000423149973 330172958 /nfs/dbraw/zinc/17/29/58/330172958.db2.gz BIBRXDCTFXMKRD-YESZJQIVSA-N 2 0 292.467 2.870 20 30 CFEDRP C=C(C)CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423155581 330173398 /nfs/dbraw/zinc/17/33/98/330173398.db2.gz QUNCBYKNXVHEEV-RDJZCZTQSA-N 2 0 272.392 2.798 20 30 CFEDRP C=C(C)CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423155580 330173456 /nfs/dbraw/zinc/17/34/56/330173456.db2.gz QUNCBYKNXVHEEV-NVXWUHKLSA-N 2 0 272.392 2.798 20 30 CFEDRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)CC#N ZINC000423172261 330174498 /nfs/dbraw/zinc/17/44/98/330174498.db2.gz SAILOWQUXMBXRX-ZIAGYGMSSA-N 2 0 251.418 2.827 20 30 CFEDRP C=CCC[C@H](CC)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423523964 330209961 /nfs/dbraw/zinc/20/99/61/330209961.db2.gz WMSJBQGIJFVJIU-GTPINHCMSA-N 2 0 279.472 2.537 20 30 CFEDRP C=CCC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)C1CC1 ZINC000121001080 330394257 /nfs/dbraw/zinc/39/42/57/330394257.db2.gz MMIMVUCOVKEZHG-SFHVURJKSA-N 2 0 293.499 2.594 20 30 CFEDRP C[NH+](C)CC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C(C)(C)C ZINC000442776845 330782254 /nfs/dbraw/zinc/78/22/54/330782254.db2.gz DVAVQSGXHJTUEE-IHRRRGAJSA-N 2 0 251.418 2.635 20 30 CFEDRP C=C(C)C[NH+]1CCC(Nc2cc[nH+]c(C)c2Cl)CC1 ZINC000494036446 332461601 /nfs/dbraw/zinc/46/16/01/332461601.db2.gz CNOWZSOWRQLNCI-UHFFFAOYSA-N 2 0 279.815 2.918 20 30 CFEDRP C#CCCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248415794 334300744 /nfs/dbraw/zinc/30/07/44/334300744.db2.gz OPMMPLKHYJDATM-GUDVDZBRSA-N 2 0 282.431 2.900 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(C#N)c1 ZINC000157385072 525571186 /nfs/dbraw/zinc/57/11/86/525571186.db2.gz FSYAOQUIVDKIPE-IAOVAPTHSA-N 2 0 269.392 2.836 20 30 CFEDRP C=CCOc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000344632019 526905758 /nfs/dbraw/zinc/90/57/58/526905758.db2.gz PKKAXNQRMVEODN-ZBFHGGJFSA-N 2 0 274.408 2.824 20 30 CFEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC(C)(C)C#N)[C@@H](C)C1 ZINC000347198374 528664741 /nfs/dbraw/zinc/66/47/41/528664741.db2.gz LKSNCBLPMSJOLS-JKSUJKDBSA-N 2 0 295.471 2.653 20 30 CFEDRP C#CCCC[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000756122937 574076306 /nfs/dbraw/zinc/07/63/06/574076306.db2.gz XSZSRVYAODCELQ-UHFFFAOYSA-N 2 0 299.462 2.722 20 30 CFEDRP CCC(CC)C[N@H+](CCC#N)CC1CC[NH+](C)CC1 ZINC000891937513 617839123 /nfs/dbraw/zinc/83/91/23/617839123.db2.gz LDXFGUDOPCEFDJ-UHFFFAOYSA-N 2 0 265.445 2.980 20 30 CFEDRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(OCC#N)cc1 ZINC000044533692 618026979 /nfs/dbraw/zinc/02/69/79/618026979.db2.gz LMQAHHYKRSLIOP-HUUCEWRRSA-N 2 0 287.407 2.581 20 30 CFEDRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000925607177 618295579 /nfs/dbraw/zinc/29/55/79/618295579.db2.gz AHRBXLRUCIYSAJ-ZIAGYGMSSA-N 2 0 275.371 2.693 20 30 CFEDRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC000925624342 618345826 /nfs/dbraw/zinc/34/58/26/618345826.db2.gz ZQHKCPXXWXEHDP-LSDHHAIUSA-N 2 0 287.407 2.585 20 30 CFEDRP C#CCCCCCC[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000877530434 618413165 /nfs/dbraw/zinc/41/31/65/618413165.db2.gz DPBNHGNOVIONJF-IAGOWNOFSA-N 2 0 262.441 2.986 20 30 CFEDRP C#C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000894551850 619417731 /nfs/dbraw/zinc/41/77/31/619417731.db2.gz AEBOEPTWASRUBC-INIZCTEOSA-N 2 0 276.811 2.946 20 30 CFEDRP C[N@H+](CCCC[NH2+]CC#Cc1ccccc1)C1CC1 ZINC000894806635 619471338 /nfs/dbraw/zinc/47/13/38/619471338.db2.gz HMNVVYVHKFDELJ-UHFFFAOYSA-N 2 0 256.393 2.502 20 30 CFEDRP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cccc(C#N)c1 ZINC000902998723 621224631 /nfs/dbraw/zinc/22/46/31/621224631.db2.gz HOWWYIZXDPUIJM-BBRMVZONSA-N 2 0 259.397 2.797 20 30 CFEDRP CC(C)C[N@H+](C)CCCN[C@@H](C)c1cc(C#N)ccn1 ZINC000903039765 621231711 /nfs/dbraw/zinc/23/17/11/621231711.db2.gz XMRWOUVIEYYBME-AWEZNQCLSA-N 2 0 274.412 2.582 20 30 CFEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903166810 621278633 /nfs/dbraw/zinc/27/86/33/621278633.db2.gz DESCZRCHLAWXRO-LHCMDFTLSA-N 2 0 290.451 2.715 20 30 CFEDRP C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903166809 621278665 /nfs/dbraw/zinc/27/86/65/621278665.db2.gz DESCZRCHLAWXRO-HJYMDDGLSA-N 2 0 290.451 2.715 20 30 CFEDRP C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CC[C@@H]([NH3+])C1 ZINC000903433046 621372703 /nfs/dbraw/zinc/37/27/03/621372703.db2.gz RZJNDIGKDMACOZ-LSDHHAIUSA-N 2 0 289.379 2.710 20 30 CFEDRP CCCN(Cc1c(C)cc(C#N)cc1C)[C@H]1CC[NH2+]C1 ZINC000903423811 621379308 /nfs/dbraw/zinc/37/93/08/621379308.db2.gz ZPZVPPYAFXNQSZ-INIZCTEOSA-N 2 0 271.408 2.749 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000903425126 621379741 /nfs/dbraw/zinc/37/97/41/621379741.db2.gz TYZPMBZYSUYHMI-GDBMZVCRSA-N 2 0 271.408 2.734 20 30 CFEDRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC1CCC(C#N)CC1 ZINC000903425039 621380174 /nfs/dbraw/zinc/38/01/74/621380174.db2.gz PEDGBZGLCAUQPU-NRXISQOPSA-N 2 0 251.418 2.622 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000903447548 621385062 /nfs/dbraw/zinc/38/50/62/621385062.db2.gz XDALDBYOVGLFEP-RYQLBKOJSA-N 2 0 283.419 2.734 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000903452698 621387195 /nfs/dbraw/zinc/38/71/95/621387195.db2.gz QWYCIBOOZZKVGJ-GOSISDBHSA-N 2 0 283.419 2.751 20 30 CFEDRP N#CC1(CCCC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CCC1 ZINC000903744953 621435320 /nfs/dbraw/zinc/43/53/20/621435320.db2.gz ZXJVWGMJTLCEBB-JYJNAYRXSA-N 2 0 275.440 2.910 20 30 CFEDRP N#CC1(CCCCN2C[C@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC000903770276 621437814 /nfs/dbraw/zinc/43/78/14/621437814.db2.gz WHXUXVUJDGQNLW-GDBMZVCRSA-N 2 0 261.413 2.664 20 30 CFEDRP C=CC[C@H](C)[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793913 621439558 /nfs/dbraw/zinc/43/95/58/621439558.db2.gz XQFPFCZJROWHEA-HNNXBMFYSA-N 2 0 258.409 2.944 20 30 CFEDRP N#Cc1ccc(C2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000903824334 621449553 /nfs/dbraw/zinc/44/95/53/621449553.db2.gz PCKXOUFHZJCQBP-INIZCTEOSA-N 2 0 283.419 2.737 20 30 CFEDRP N#Cc1ccc(C2CC[NH+](CCC[NH2+]C3CC3)CC2)cc1 ZINC000903823553 621449696 /nfs/dbraw/zinc/44/96/96/621449696.db2.gz HNEYNOFPJFHOIX-UHFFFAOYSA-N 2 0 283.419 2.880 20 30 CFEDRP CC(C)C[C@@H]([NH3+])C[NH2+]C(C)(C)Cc1ccc(C#N)cc1 ZINC000903987357 621499715 /nfs/dbraw/zinc/49/97/15/621499715.db2.gz CZDNGMFIWUJNKL-MRXNPFEDSA-N 2 0 273.424 2.842 20 30 CFEDRP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CCN1c1cc[nH+]cc1 ZINC000819924214 622572889 /nfs/dbraw/zinc/57/28/89/622572889.db2.gz IGDXVSXUUYRPEF-HNNXBMFYSA-N 2 0 292.386 2.664 20 30 CFEDRP CC(C)C[NH+]=C(NC[C@H]1CC[N@@H+](C(C)C)C1)NC(C)(C)C ZINC000912506712 622733512 /nfs/dbraw/zinc/73/35/12/622733512.db2.gz AYJDIPSXDAXFCY-OAHLLOKOSA-N 2 0 296.503 2.706 20 30 CFEDRP C=CCSCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000231933671 623375925 /nfs/dbraw/zinc/37/59/25/623375925.db2.gz YHEMWEBBFTWRAZ-KBPBESRZSA-N 2 0 256.459 2.806 20 30 CFEDRP C#CCSCC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925455843 624479338 /nfs/dbraw/zinc/47/93/38/624479338.db2.gz RPLHRAJYCWZBEX-CQSZACIVSA-N 2 0 276.449 2.765 20 30 CFEDRP C#CCCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000766895488 624512802 /nfs/dbraw/zinc/51/28/02/624512802.db2.gz KNEJVHZYHASNRC-QGZVFWFLSA-N 2 0 262.441 2.844 20 30 CFEDRP C#CC1CC[NH+](CCCCC[NH+]2CCC(C#C)CC2)CC1 ZINC000830343353 624714384 /nfs/dbraw/zinc/71/43/84/624714384.db2.gz UYRMQSRAGYOHIC-UHFFFAOYSA-N 2 0 286.463 2.847 20 30 CFEDRP CC[NH+]1CCC([NH2+]Cc2c(C)cc(C#N)cc2C)CC1 ZINC000921492046 624899737 /nfs/dbraw/zinc/89/97/37/624899737.db2.gz BXDPYKQBDPNWSY-UHFFFAOYSA-N 2 0 271.408 2.749 20 30 CFEDRP C=C(C)C[NH+]1CCC(NCc2csc(C#N)c2)CC1 ZINC000921703633 626095402 /nfs/dbraw/zinc/09/54/02/626095402.db2.gz YSMIYESEAONQOY-UHFFFAOYSA-N 2 0 275.421 2.750 20 30 CFEDRP C=C(Cl)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923506529 626477858 /nfs/dbraw/zinc/47/78/58/626477858.db2.gz KPSQGJLMTFEJQV-ZDUSSCGKSA-N 2 0 256.821 2.841 20 30 CFEDRP C#CC[NH+](Cc1ccccc1C[N@@H+](CC#C)C1CC1)C1CC1 ZINC000763949993 627024635 /nfs/dbraw/zinc/02/46/35/627024635.db2.gz ODHPYGAFCVRVDB-UHFFFAOYSA-N 2 0 292.426 2.882 20 30 CFEDRP C=CCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000772856804 627751652 /nfs/dbraw/zinc/75/16/52/627751652.db2.gz RMZWHKBPGDEXEJ-ROUUACIJSA-N 2 0 288.435 2.740 20 30 CFEDRP C=CC[NH+](CC=C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775638127 628048791 /nfs/dbraw/zinc/04/87/91/628048791.db2.gz AWPHDTHOHHHLJK-UHFFFAOYSA-N 2 0 285.435 2.612 20 30 CFEDRP C=CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000775656350 628050516 /nfs/dbraw/zinc/05/05/16/628050516.db2.gz FLEKYDISSMKSGK-UHFFFAOYSA-N 2 0 287.451 2.835 20 30 CFEDRP CC[NH+](CC)CCCC1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801939661 630492389 /nfs/dbraw/zinc/49/23/89/630492389.db2.gz VDTIFRGJMNUUEK-INIZCTEOSA-N 2 0 295.471 2.749 20 30 CFEDRP C[NH+]1CCN(c2ccc(C=[NH+]OC/C=C/Cl)cc2)CC1 ZINC000811669850 631603693 /nfs/dbraw/zinc/60/36/93/631603693.db2.gz KFFFSVNYLJGMRM-XQLIBSMOSA-N 2 0 293.798 2.541 20 30 CFEDRP C#C[C@@H](C)[NH+](C)Cc1cc(C[N@H+](C)[C@@H](C)C#C)cc(OC)c1 ZINC000814633621 632100297 /nfs/dbraw/zinc/10/02/97/632100297.db2.gz HLWOIIBKFQPAFA-IYBDPMFKSA-N 2 0 298.430 2.602 20 30 CFEDRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cccc(C#N)c1 ZINC000817947691 632749606 /nfs/dbraw/zinc/74/96/06/632749606.db2.gz FRTXNQSMKXURGK-CQSZACIVSA-N 2 0 279.387 2.910 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000817966512 632765091 /nfs/dbraw/zinc/76/50/91/632765091.db2.gz PIVODNUTXBRWIS-CRAIPNDOSA-N 2 0 286.419 2.739 20 30 CFEDRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(OCC#N)cc1 ZINC000817980105 632777054 /nfs/dbraw/zinc/77/70/54/632777054.db2.gz IUFJLCYNLFTUIU-HOCLYGCPSA-N 2 0 287.407 2.772 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000817984905 632781046 /nfs/dbraw/zinc/78/10/46/632781046.db2.gz BXCUQZDVFJNOCD-DZJNRPSUSA-N 2 0 298.430 2.737 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000817984907 632781387 /nfs/dbraw/zinc/78/13/87/632781387.db2.gz BXCUQZDVFJNOCD-LEUOFYLZSA-N 2 0 298.430 2.737 20 30 CFEDRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(OCC#N)cc1 ZINC000848558716 633289432 /nfs/dbraw/zinc/28/94/32/633289432.db2.gz RJOYHDWCCMNPFS-FMKPAKJESA-N 2 0 287.407 2.580 20 30 CFEDRP C=C(Cl)CN(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212095 636505240 /nfs/dbraw/zinc/50/52/40/636505240.db2.gz DXJWODIBICJSJT-UHFFFAOYSA-N 2 0 252.789 2.933 20 30 CFEDRP C=CCC[C@@H](O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214884 636507980 /nfs/dbraw/zinc/50/79/80/636507980.db2.gz QICXLYZFZYARQY-QGZVFWFLSA-N 2 0 276.424 2.507 20 30 CFEDRP C#CCCC[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000859997629 636757635 /nfs/dbraw/zinc/75/76/35/636757635.db2.gz UNFDNIXICUVAIE-UHFFFAOYSA-N 2 0 258.409 2.984 20 30 CFEDRP C#CC[C@H](COC)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000862548899 637422122 /nfs/dbraw/zinc/42/21/22/637422122.db2.gz PXTWSIGQMYWWKV-NXHRZFHOSA-N 2 0 292.467 2.657 20 30 CFEDRP CC(=Nn1cccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000863164728 637577748 /nfs/dbraw/zinc/57/77/48/637577748.db2.gz UFGCKVWQANTOGU-MRXNPFEDSA-N 2 0 268.364 2.629 20 30 CFEDRP C[N@H+](CCCCCCC[NH3+])CCc1cccc(C#N)c1 ZINC000866698012 638866925 /nfs/dbraw/zinc/86/69/25/638866925.db2.gz KPECJJNQCUXANB-UHFFFAOYSA-N 2 0 273.424 2.942 20 30 CFEDRP C=C(Cl)C[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000122093175 638935810 /nfs/dbraw/zinc/93/58/10/638935810.db2.gz KODFAYYLGWUXLD-UHFFFAOYSA-N 2 0 288.863 2.809 20 30 CFEDRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(C#N)c1 ZINC000873263538 642107176 /nfs/dbraw/zinc/10/71/76/642107176.db2.gz JFRONPFVNOQQRM-SDNTUTLCSA-N 2 0 269.392 2.739 20 30 CFEDRP C[C@H]1CCC[N@H+](CCCCNC(=[NH2+])N2CCCCCC2)C1 ZINC000125986820 642893561 /nfs/dbraw/zinc/89/35/61/642893561.db2.gz BXFOBYRMTJNIJR-INIZCTEOSA-N 2 0 294.487 2.689 20 30 CFEDRP C=CCCCCCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000877522126 643326442 /nfs/dbraw/zinc/32/64/42/643326442.db2.gz NDAIGVWISJSTJV-UHFFFAOYSA-N 2 0 282.472 2.948 20 30 CFEDRP C#CCCC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879703888 644389342 /nfs/dbraw/zinc/38/93/42/644389342.db2.gz FGWURVQNVDUWQA-UHFFFAOYSA-N 2 0 250.430 2.700 20 30 CFEDRP CC(C)CNC(=[NH2+])NCC1([NH+]2CCCCC2)CCCCC1 ZINC000303695058 650998526 /nfs/dbraw/zinc/99/85/26/650998526.db2.gz DHRVZPIZSNEWMD-UHFFFAOYSA-N 2 0 294.487 2.736 20 30 CFEDRP C[C@@H]1CCC[N@H+](CCCCNC(=[NH2+])NC2CCCCC2)C1 ZINC000303882697 651006368 /nfs/dbraw/zinc/00/63/68/651006368.db2.gz IHTQXLGYULPDSV-OAHLLOKOSA-N 2 0 294.487 2.736 20 30 CFEDRP C[C@@H]1CCCC[N@H+]1CCCCNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000303883656 651006374 /nfs/dbraw/zinc/00/63/74/651006374.db2.gz IRWKDGOFYUBFIH-JKSUJKDBSA-N 2 0 294.487 2.688 20 30 CFEDRP CCCCCCNC(=[NH2+])NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000303894989 651007476 /nfs/dbraw/zinc/00/74/76/651007476.db2.gz PHGWPIQGPHUWSH-CABCVRRESA-N 2 0 282.476 2.734 20 30 CFEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NCCC[NH+]1CCCC1 ZINC000303770211 651001092 /nfs/dbraw/zinc/00/10/92/651001092.db2.gz BQOXWZPTFQJTOO-OAHLLOKOSA-N 2 0 282.476 2.591 20 30 CFEDRP CC[NH+]1CCC(CCNC(=[NH2+])Nc2ccccc2)CC1 ZINC000304318778 651021681 /nfs/dbraw/zinc/02/16/81/651021681.db2.gz PAEDHKUDPFUJFK-UHFFFAOYSA-N 2 0 274.412 2.535 20 30 CFEDRP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCO1 ZINC000883173883 645639957 /nfs/dbraw/zinc/63/99/57/645639957.db2.gz WKFGPXTUNQDHIY-QZWWFDLISA-N 2 0 278.440 2.717 20 30 CFEDRP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCC)C1)[C@H]1CCCO1 ZINC000883175463 645641974 /nfs/dbraw/zinc/64/19/74/645641974.db2.gz HXIXAVBCTHWPLW-YESZJQIVSA-N 2 0 280.456 2.822 20 30 CFEDRP C=CCC[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)[C@@H]1CCCO1 ZINC000883193441 645654570 /nfs/dbraw/zinc/65/45/70/645654570.db2.gz WIYOTKARADTHRF-WCVJEAGWSA-N 2 0 266.429 2.573 20 30 CFEDRP C=CCC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@@H]1CCCO1 ZINC000883199843 645659431 /nfs/dbraw/zinc/65/94/31/645659431.db2.gz QJXNTYDWVSPACD-SJORKVTESA-N 2 0 280.456 2.963 20 30 CFEDRP C=CCC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCO1 ZINC000883228061 645678505 /nfs/dbraw/zinc/67/85/05/645678505.db2.gz DWQJNCMAQPNEKU-YESZJQIVSA-N 2 0 280.456 2.822 20 30 CFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(CC)(CC)CC ZINC000305001475 651040622 /nfs/dbraw/zinc/04/06/22/651040622.db2.gz BGRTVUHEPGXHNH-CQSZACIVSA-N 2 0 282.476 2.591 20 30 CFEDRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=[NH2+])N2CCCCCC2)C1 ZINC000305064544 651044090 /nfs/dbraw/zinc/04/40/90/651044090.db2.gz MJMVIXHJIGAMBL-HOTGVXAUSA-N 2 0 294.487 2.545 20 30 CFEDRP N#Cc1ccc(CC[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000886874077 647165543 /nfs/dbraw/zinc/16/55/43/647165543.db2.gz FYSHQUYQAQKSKG-GOSISDBHSA-N 2 0 283.419 2.566 20 30 CFEDRP C[C@H](CC(C)(C)C#N)[NH2+]CCC[NH+]1CCCCC1 ZINC000924579407 647999534 /nfs/dbraw/zinc/99/95/34/647999534.db2.gz WSGMZVSTKOAOKC-CQSZACIVSA-N 2 0 251.418 2.780 20 30 CFEDRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000925655616 648264783 /nfs/dbraw/zinc/26/47/83/648264783.db2.gz SHUCURRRPNEOIN-PFSRBDOWSA-N 2 0 263.429 2.812 20 30 CFEDRP N#Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1Cl ZINC000925667585 648270400 /nfs/dbraw/zinc/27/04/00/648270400.db2.gz VRBOOZCEPDDUPK-UONOGXRCSA-N 2 0 275.783 2.571 20 30 CFEDRP C=CCC[C@@H](C)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925817548 648332952 /nfs/dbraw/zinc/33/29/52/648332952.db2.gz QANPILPKNNUXJB-MRXNPFEDSA-N 2 0 287.451 2.536 20 30 CFEDRP Cc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1C#N ZINC000925842109 648341181 /nfs/dbraw/zinc/34/11/81/648341181.db2.gz WHUAXZPMCDBGMN-ZDUSSCGKSA-N 2 0 294.402 2.880 20 30 CFEDRP CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(C#N)cc1 ZINC000925880379 648354018 /nfs/dbraw/zinc/35/40/18/648354018.db2.gz QLBOHXSHLZGGTB-VNQPRFMTSA-N 2 0 257.381 2.726 20 30 CFEDRP C[C@H]1C[C@@H]([N@H+](C)CC2CCC(C#N)CC2)CCN1C ZINC000929783646 649121431 /nfs/dbraw/zinc/12/14/31/649121431.db2.gz XGQZSGCHYYFBRB-LBDPXKHJSA-N 2 0 263.429 2.731 20 30 CFEDRP C=CCCC[N@@H+](CC)CCCN1CC[NH+](C(C)C)CC1 ZINC000934645598 649810045 /nfs/dbraw/zinc/81/00/45/649810045.db2.gz VCZFTEZSLLUVCH-UHFFFAOYSA-N 2 0 281.488 2.691 20 30 CFEDRP C=CCCCCCCCN(CC[NH+](C)C)CC[NH+](C)C ZINC001209439766 770091192 /nfs/dbraw/zinc/09/11/92/770091192.db2.gz YKXZZTFJSRIMHV-UHFFFAOYSA-N 2 0 283.504 2.938 20 30 CFEDRP C#CCN(C)CCC[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000328259199 775736063 /nfs/dbraw/zinc/73/60/63/775736063.db2.gz KYCQKQRYISWTGC-QGZVFWFLSA-N 2 0 256.393 2.527 20 30 CFEDRP C#CCN(C)CCC[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000328259370 775737002 /nfs/dbraw/zinc/73/70/02/775737002.db2.gz LAVPAMQFIYUVCI-OAHLLOKOSA-N 2 0 258.409 2.855 20 30 CFEDRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000695793042 776013169 /nfs/dbraw/zinc/01/31/69/776013169.db2.gz XEKILURIZCFZHQ-KBPBESRZSA-N 2 0 251.418 2.636 20 30 CFEDRP C[C@H](C[NH2+][C@H](C)CC(C)(C)C#N)C[NH+]1CCCC1 ZINC000695789268 776013729 /nfs/dbraw/zinc/01/37/29/776013729.db2.gz WPMHPTQNOIQGPA-ZIAGYGMSSA-N 2 0 251.418 2.636 20 30 CFEDRP C#C[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167994772 777527209 /nfs/dbraw/zinc/52/72/09/777527209.db2.gz ODRJSSPPXYLXKH-NAZJXLNTSA-N 2 0 272.436 2.737 20 30 CFEDRP C#CCOc1ccc(C[N@@H+]2CCCCC23CC[NH2+]CC3)cc1 ZINC001235190938 778408298 /nfs/dbraw/zinc/40/82/98/778408298.db2.gz MJEHVPFBTJVOOD-UHFFFAOYSA-N 2 0 298.430 2.807 20 30 CFEDRP CCCCCCCCC[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235992701 778645571 /nfs/dbraw/zinc/64/55/71/778645571.db2.gz LTFPPXXPECLILH-XYPWUTKMSA-N 2 0 268.445 2.643 20 30 CFEDRP C=CCCCCCCC[NH+]1CCC(N2CC[NH2+]CC2)CC1 ZINC001236130335 778705147 /nfs/dbraw/zinc/70/51/47/778705147.db2.gz SUSHEZRDWRYCMX-UHFFFAOYSA-N 2 0 293.499 2.883 20 30 CFEDRP C(#CC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1)c1ccccc1 ZINC001236303908 778767736 /nfs/dbraw/zinc/76/77/36/778767736.db2.gz VAYVBELCPJZHRL-IBGZPJMESA-N 2 0 282.431 2.750 20 30 CFEDRP C=CCNCC[N@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236565674 778878194 /nfs/dbraw/zinc/87/81/94/778878194.db2.gz MGIZHAZHABTPDI-JCNLHEQBSA-N 2 0 279.472 2.667 20 30 CFEDRP CN1CCC([N@H+](Cc2ccnc(C#N)c2)C2CCCC2)CC1 ZINC001237462362 779112537 /nfs/dbraw/zinc/11/25/37/779112537.db2.gz HGQMZOULVJGCMM-UHFFFAOYSA-N 2 0 298.434 2.792 20 30 CFEDRP N#CCC[N@H+](CC[C@H]1C[NH2+]CCO1)C1CCCCCCC1 ZINC001235663823 779367808 /nfs/dbraw/zinc/36/78/08/779367808.db2.gz LZCWMTDJIFRZQU-KRWDZBQOSA-N 2 0 293.455 2.693 20 30 CFEDRP CCc1cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1C#N ZINC001238768671 779386345 /nfs/dbraw/zinc/38/63/45/779386345.db2.gz MPFQGHBUEDYFHM-GOSISDBHSA-N 2 0 283.419 2.648 20 30 CFEDRP C#CC[NH+](Cc1cccc(C[N@@H+](CC#C)C2CC2)c1)C1CC1 ZINC000763949435 779773845 /nfs/dbraw/zinc/77/38/45/779773845.db2.gz CDRDIPKEQSVEAA-UHFFFAOYSA-N 2 0 292.426 2.882 20 30 CFEDRP COc1cc(C[N@H+](C)CCCCCC[NH3+])ccc1C#N ZINC000710841379 781341692 /nfs/dbraw/zinc/34/16/92/781341692.db2.gz ILTLLCWBWKCZEN-UHFFFAOYSA-N 2 0 275.396 2.518 20 30 CFEDRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594584667 349451742 /nfs/dbraw/zinc/45/17/42/349451742.db2.gz ADWYLSQEQZBGAO-QWHCGFSZSA-N 2 0 257.381 2.653 20 30 CFEDRP N#C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000595070497 349573398 /nfs/dbraw/zinc/57/33/98/349573398.db2.gz VKFUHFRQOZKQFR-MSOLQXFVSA-N 2 0 298.434 2.575 20 30 CFEDRP C=CCCSCC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000595058313 349569352 /nfs/dbraw/zinc/56/93/52/349569352.db2.gz HHTSMWDVSIQKSZ-KGLIPLIRSA-N 2 0 256.459 2.616 20 30 CFEDRP CC(C)[NH+]1CCC([N@H+](C)CCc2ccc(C#N)cc2)CC1 ZINC000595300337 349597341 /nfs/dbraw/zinc/59/73/41/349597341.db2.gz AAYIZMHLHXFJKI-UHFFFAOYSA-N 2 0 285.435 2.905 20 30 CFEDRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCCCC#N)CC2)C[C@H](C)O1 ZINC000069016829 346879939 /nfs/dbraw/zinc/87/99/39/346879939.db2.gz CQZFMXLVOBWYFD-IYBDPMFKSA-N 2 0 293.455 2.501 20 30 CFEDRP N#Cc1ccc(CC[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000595900198 349765465 /nfs/dbraw/zinc/76/54/65/349765465.db2.gz AOIXIQSYSKQFLR-LJQANCHMSA-N 2 0 297.446 2.812 20 30 CFEDRP N#Cc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000595901226 349765552 /nfs/dbraw/zinc/76/55/52/349765552.db2.gz SMBFJJBYJPKBQT-SFHVURJKSA-N 2 0 283.419 2.770 20 30 CFEDRP CC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c1ccc(C#N)cc1 ZINC000596653380 349969425 /nfs/dbraw/zinc/96/94/25/349969425.db2.gz KEIPIFMXRKWPJV-CVEARBPZSA-N 2 0 259.397 2.972 20 30 CFEDRP N#C[C@H]1CCC[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000596649374 349967977 /nfs/dbraw/zinc/96/79/77/349967977.db2.gz ZLGZDQNJAPGCQI-DZOHQFGASA-N 2 0 283.419 2.804 20 30 CFEDRP C=CCCSCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000596650151 349968846 /nfs/dbraw/zinc/96/88/46/349968846.db2.gz IFKJBDMGKKJZSW-GDBMZVCRSA-N 2 0 278.465 2.844 20 30 CFEDRP N#Cc1ccccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063199778 346697851 /nfs/dbraw/zinc/69/78/51/346697851.db2.gz FSHQKKCJKOCIMC-QGZVFWFLSA-N 2 0 269.392 2.522 20 30 CFEDRP C=CCCOCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000090883877 347560952 /nfs/dbraw/zinc/56/09/52/347560952.db2.gz AZSKVNMHLJTQHW-UHFFFAOYSA-N 2 0 280.456 2.966 20 30 CFEDRP C#C[C@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)C(C)(C)C ZINC000491656446 348629873 /nfs/dbraw/zinc/62/98/73/348629873.db2.gz SNOOUKAOXBLDAA-INIZCTEOSA-N 2 0 282.391 2.713 20 30 CFEDRP C#C[C@@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)C(C)(C)C ZINC000491656447 348629891 /nfs/dbraw/zinc/62/98/91/348629891.db2.gz SNOOUKAOXBLDAA-MRXNPFEDSA-N 2 0 282.391 2.713 20 30 CFEDRP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1Cl ZINC000591573338 349031231 /nfs/dbraw/zinc/03/12/31/349031231.db2.gz NGCDSIBCAMPHOT-DZGCQCFKSA-N 2 0 277.799 2.819 20 30 CFEDRP C[C@]1(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CCC[NH2+]C1 ZINC000591578176 349032050 /nfs/dbraw/zinc/03/20/50/349032050.db2.gz KJVMAVNXNCVUSJ-MSOLQXFVSA-N 2 0 283.419 2.915 20 30 CFEDRP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(C#N)cc1 ZINC000591582585 349032448 /nfs/dbraw/zinc/03/24/48/349032448.db2.gz MUURPMRWTFMCQF-BBRMVZONSA-N 2 0 269.392 2.884 20 30 CFEDRP CC1(C#N)CCC([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000591582698 349032722 /nfs/dbraw/zinc/03/27/22/349032722.db2.gz UMISWNIJIVQPTN-SLTAFYQDSA-N 2 0 261.413 2.723 20 30 CFEDRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cccc(C#N)c1 ZINC000593323651 349247348 /nfs/dbraw/zinc/24/73/48/349247348.db2.gz SIZQTDZYTHSHLC-ZDUSSCGKSA-N 2 0 257.381 2.599 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000593321341 349247490 /nfs/dbraw/zinc/24/74/90/349247490.db2.gz IJWIBCLOZHYEQB-GOSISDBHSA-N 2 0 283.419 2.915 20 30 CFEDRP C[C@@H]1CCC[N@H+](Cc2ccccc2C#N)[C@@H]1CCC[NH3+] ZINC000598681604 350310071 /nfs/dbraw/zinc/31/00/71/350310071.db2.gz HQBZWACUTBCUQL-RHSMWYFYSA-N 2 0 271.408 2.898 20 30 CFEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598714161 350315774 /nfs/dbraw/zinc/31/57/74/350315774.db2.gz GCSPZYNXQCCSNK-HZPDHXFCSA-N 2 0 295.471 2.531 20 30 CFEDRP CCC[N@H+](Cc1ccc(C)c(C#N)c1)C1CC[NH2+]CC1 ZINC000600706434 350598135 /nfs/dbraw/zinc/59/81/35/350598135.db2.gz DIWKRENMEUNGSU-UHFFFAOYSA-N 2 0 271.408 2.831 20 30 CFEDRP C[NH2+]CCC1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC000600705820 350598318 /nfs/dbraw/zinc/59/83/18/350598318.db2.gz AZIOBTBIHWRLIK-UHFFFAOYSA-N 2 0 271.408 2.688 20 30 CFEDRP Cc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1C#N ZINC000600709411 350598965 /nfs/dbraw/zinc/59/89/65/350598965.db2.gz JAAQELNSYRARPP-SFHVURJKSA-N 2 0 283.419 2.831 20 30 CFEDRP N#CCc1cccc2c1CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000600752496 350606517 /nfs/dbraw/zinc/60/65/17/350606517.db2.gz YTDRTMKBVWHBQN-HNNXBMFYSA-N 2 0 283.419 2.500 20 30 CFEDRP N#Cc1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)o1 ZINC000600769619 350607728 /nfs/dbraw/zinc/60/77/28/350607728.db2.gz PQMYVHBEMRQNSX-MRXNPFEDSA-N 2 0 269.348 2.721 20 30 CFEDRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CCC(C#N)CC1 ZINC000602502205 350907192 /nfs/dbraw/zinc/90/71/92/350907192.db2.gz JPWNNOHTIPFPRX-QQFBHYJXSA-N 2 0 263.429 2.923 20 30 CFEDRP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](C)CCC#N)CC1 ZINC000602449909 350887905 /nfs/dbraw/zinc/88/79/05/350887905.db2.gz UFOZRGZIMDRWGX-OAHLLOKOSA-N 2 0 265.445 2.978 20 30 CFEDRP N#CC1CCC([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000602714084 350995382 /nfs/dbraw/zinc/99/53/82/350995382.db2.gz FVXOIOYHOKGEJJ-WIHSUSGWSA-N 2 0 275.440 2.780 20 30 CFEDRP C[C@H](CC[NH2+]C[C@@H](C)CCC#N)[NH+]1CCCCC1 ZINC000602609075 350944150 /nfs/dbraw/zinc/94/41/50/350944150.db2.gz QSUVGKOIZRPQKH-LSDHHAIUSA-N 2 0 251.418 2.780 20 30 CFEDRP C[C@@H](CCC#N)C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000602609073 350944433 /nfs/dbraw/zinc/94/44/33/350944433.db2.gz QSUVGKOIZRPQKH-GJZGRUSLSA-N 2 0 251.418 2.780 20 30 CFEDRP C[NH+]1CCC2(CC[N@H+](CCCC(C)(C)C#N)C2)CC1 ZINC000602877825 351054814 /nfs/dbraw/zinc/05/48/14/351054814.db2.gz RRNRCRPLCPDCRP-UHFFFAOYSA-N 2 0 263.429 2.734 20 30 CFEDRP CC1(C)[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1[NH3+] ZINC000603431701 351163065 /nfs/dbraw/zinc/16/30/65/351163065.db2.gz GESYYWZNMLUNJE-QWHCGFSZSA-N 2 0 297.324 2.792 20 30 CFEDRP CC(C)[N@H+](C)CC1CC[NH+](CCCCC#N)CC1 ZINC000609133553 351486832 /nfs/dbraw/zinc/48/68/32/351486832.db2.gz VEWXXQZURHZQIJ-UHFFFAOYSA-N 2 0 251.418 2.732 20 30 CFEDRP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(C#N)cc1 ZINC000271642992 191255141 /nfs/dbraw/zinc/25/51/41/191255141.db2.gz HJQIATWPVOMIGH-BBRMVZONSA-N 2 0 257.381 2.693 20 30 CFEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000335502096 283192248 /nfs/dbraw/zinc/19/22/48/283192248.db2.gz VGMLGFKXWWFSSX-GOSISDBHSA-N 2 0 281.403 2.835 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000423548927 283199415 /nfs/dbraw/zinc/19/94/15/283199415.db2.gz NDFIDBVRSDMKET-BVIKNXMNSA-N 2 0 281.403 2.523 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000423549230 283199461 /nfs/dbraw/zinc/19/94/61/283199461.db2.gz NDFIDBVRSDMKET-YFHUEUNASA-N 2 0 281.403 2.523 20 30 CFEDRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1F ZINC000423256844 238312370 /nfs/dbraw/zinc/31/23/70/238312370.db2.gz GHNNGBRMVZHLBW-OLZOCXBDSA-N 2 0 275.371 2.738 20 30 CFEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000264071964 383694091 /nfs/dbraw/zinc/69/40/91/383694091.db2.gz DONMYWCYOOGTPG-CQSZACIVSA-N 2 0 286.423 2.514 20 30 CFEDRP N#Cc1ccccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063199776 373797213 /nfs/dbraw/zinc/79/72/13/373797213.db2.gz FSHQKKCJKOCIMC-KRWDZBQOSA-N 2 0 269.392 2.522 20 30 CFEDRP CC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000264110318 383696700 /nfs/dbraw/zinc/69/67/00/383696700.db2.gz OPFSVJHNEDZOGK-ZBFHGGJFSA-N 2 0 288.439 2.526 20 30 CFEDRP C[N@@H+]1CCC[C@@H]2C[NH+](CC(C)(C)CCC#N)CC[C@H]21 ZINC000092043730 375082824 /nfs/dbraw/zinc/08/28/24/375082824.db2.gz YBOOYAPTXKSVGM-HUUCEWRRSA-N 2 0 263.429 2.732 20 30 CFEDRP CC(C)(CCC#N)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093604642 375271603 /nfs/dbraw/zinc/27/16/03/375271603.db2.gz ZFGJSXKQCBZPBZ-OAHLLOKOSA-N 2 0 263.429 2.734 20 30 CFEDRP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000266160705 190235832 /nfs/dbraw/zinc/23/58/32/190235832.db2.gz NKMSULXSJWVZNR-CRAIPNDOSA-N 2 0 286.419 2.519 20 30 CFEDRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174272723 379856108 /nfs/dbraw/zinc/85/61/08/379856108.db2.gz YKLKVHXZZKJABN-AWEZNQCLSA-N 2 0 275.396 2.753 20 30 CFEDRP C=C(CC)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358515267 380899449 /nfs/dbraw/zinc/89/94/49/380899449.db2.gz XTFSNFJEBVIIIN-HOTGVXAUSA-N 2 0 280.456 2.774 20 30 CFEDRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(C#N)cc1F ZINC000358592909 380955486 /nfs/dbraw/zinc/95/54/86/380955486.db2.gz QYXKWSIAINQOQQ-GFCCVEGCSA-N 2 0 275.371 2.690 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CCC#N)[C@H](C)C1 ZINC000348235508 381474253 /nfs/dbraw/zinc/47/42/53/381474253.db2.gz ZUHNGGYKNMSVQT-KGLIPLIRSA-N 2 0 251.418 2.636 20 30 CFEDRP C=CC[NH+](CC=C)[C@H](CN[C@H]1CC[N@H+](C)C[C@H]1C)C(C)C ZINC000360036984 381743625 /nfs/dbraw/zinc/74/36/25/381743625.db2.gz ICEACAKMFIDFCI-FGTMMUONSA-N 2 0 293.499 2.615 20 30 CFEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CC[N@H+](C)C[C@@H]1C)C(C)C ZINC000360036996 381744244 /nfs/dbraw/zinc/74/42/44/381744244.db2.gz ICEACAKMFIDFCI-RCCFBDPRSA-N 2 0 293.499 2.615 20 30 CFEDRP C=CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C1CC1 ZINC000350230625 382010236 /nfs/dbraw/zinc/01/02/36/382010236.db2.gz ZBDHVJYOPREXQS-UHFFFAOYSA-N 2 0 268.364 2.726 20 30 CFEDRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000349826872 381993491 /nfs/dbraw/zinc/99/34/91/381993491.db2.gz FIDNUABOUARXCY-JKSUJKDBSA-N 2 0 257.381 2.530 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)[C@H]2CCC[C@H]21 ZINC000375836213 382106011 /nfs/dbraw/zinc/10/60/11/382106011.db2.gz BNCUSQPIJUGNQO-FGTMMUONSA-N 2 0 299.418 2.551 20 30 CFEDRP C[NH+](C)CCCC1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000345955495 382324443 /nfs/dbraw/zinc/32/44/43/382324443.db2.gz RTZOKKAELXOVOY-UHFFFAOYSA-N 2 0 265.445 2.980 20 30 CFEDRP C=CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000358043068 382425123 /nfs/dbraw/zinc/42/51/23/382425123.db2.gz GVBOFVMFCRDREN-OWCLPIDISA-N 2 0 268.445 2.678 20 30 CFEDRP Cc1ccc([C@@H](C[NH2+]Cc2cc(C#N)n(C)c2)N(C)C)cc1 ZINC000190901831 382684268 /nfs/dbraw/zinc/68/42/68/382684268.db2.gz TZUCINBSASWGJS-GOSISDBHSA-N 2 0 296.418 2.598 20 30 CFEDRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(CCC#N)CC1 ZINC000399433621 382639158 /nfs/dbraw/zinc/63/91/58/382639158.db2.gz ZRFIRBKLODZTSJ-MRXNPFEDSA-N 2 0 263.429 2.877 20 30 CFEDRP CN(CCC[NH+]1CCCCC1)Cc1cccc(C#N)c1 ZINC000193468873 382720122 /nfs/dbraw/zinc/72/01/22/382720122.db2.gz RBUWYXOHJRRPMD-UHFFFAOYSA-N 2 0 271.408 2.866 20 30 CFEDRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000442764202 382952891 /nfs/dbraw/zinc/95/28/91/382952891.db2.gz CNNBIDMYUTXCSQ-WMLDXEAASA-N 2 0 271.408 2.920 20 30 CFEDRP C[NH+](C)Cc1cc(C[NH2+][C@H]2CC[C@H](C#N)C2)ccc1F ZINC000442771894 382954536 /nfs/dbraw/zinc/95/45/36/382954536.db2.gz UYAOYKIWURSRJI-WFASDCNBSA-N 2 0 275.371 2.669 20 30 CFEDRP CC(C)[N@H+](C)CC1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000539567769 382960902 /nfs/dbraw/zinc/96/09/02/382960902.db2.gz HWILXNWTUGCUBH-UHFFFAOYSA-N 2 0 265.445 2.978 20 30 CFEDRP CC(C)(C[NH2+][C@H]1CCC[C@@H](C#N)C1)C[NH+]1CCCC1 ZINC000446782964 382992457 /nfs/dbraw/zinc/99/24/57/382992457.db2.gz HJACMNKKCRVMSX-CABCVRRESA-N 2 0 263.429 2.780 20 30 CFEDRP C=CCOc1cccc(C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000582424523 383087903 /nfs/dbraw/zinc/08/79/03/383087903.db2.gz MZPGQUUQYCVAOE-UHFFFAOYSA-N 2 0 274.408 2.812 20 30 CFEDRP C[C@H](C[NH2+]C1CCC(C)(C#N)CC1)C[NH+]1CCCC1 ZINC000449090337 383171238 /nfs/dbraw/zinc/17/12/38/383171238.db2.gz NAWCDHYOGWOCOT-QQFBHYJXSA-N 2 0 263.429 2.780 20 30 CFEDRP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000247652145 383188862 /nfs/dbraw/zinc/18/88/62/383188862.db2.gz WPDHWAAOULQTKV-ZWKOTPCHSA-N 2 0 294.483 2.902 20 30 CFEDRP N#CC1CCC(C[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000519534433 383221699 /nfs/dbraw/zinc/22/16/99/383221699.db2.gz KNBUCXBVZKLPHC-UHFFFAOYSA-N 2 0 275.440 2.780 20 30 CFEDRP C=CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000570695267 383626293 /nfs/dbraw/zinc/62/62/93/383626293.db2.gz RAWRWMHCYCPTAO-ZFWWWQNUSA-N 2 0 260.381 2.563 20 30 CFEDRP C=CCOc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435439424 383775897 /nfs/dbraw/zinc/77/58/97/383775897.db2.gz UZIUPXIYTIMARC-INIZCTEOSA-N 2 0 274.408 2.825 20 30 CFEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000436279951 383799259 /nfs/dbraw/zinc/79/92/59/383799259.db2.gz AQECMVWVSUHRMZ-HOCLYGCPSA-N 2 0 280.456 2.820 20 30 CFEDRP C[N@H+](CCCC[NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC000453603344 383872627 /nfs/dbraw/zinc/87/26/27/383872627.db2.gz XQMAXZALJCJXNX-UHFFFAOYSA-N 2 0 257.381 2.522 20 30 CFEDRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(C#N)cc1F ZINC000423482263 533389640 /nfs/dbraw/zinc/38/96/40/533389640.db2.gz OWCRJMUXNXXMOB-OCCSQVGLSA-N 2 0 275.371 2.880 20 30 CFEDRP CC(C)(CCC#N)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000360777258 394158715 /nfs/dbraw/zinc/15/87/15/394158715.db2.gz KPHRVMQUNUXHOH-PMPSAXMXSA-N 2 0 275.440 2.732 20 30 CFEDRP CC(C)(CCC#N)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000360777255 394159067 /nfs/dbraw/zinc/15/90/67/394159067.db2.gz KPHRVMQUNUXHOH-OAGGEKHMSA-N 2 0 275.440 2.732 20 30 CFEDRP C#C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(C)(C)C ZINC000297301326 394313984 /nfs/dbraw/zinc/31/39/84/394313984.db2.gz BEYAEZPBLOYUGW-MRXNPFEDSA-N 2 0 271.408 2.688 20 30 CFEDRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000536652439 394565785 /nfs/dbraw/zinc/56/57/85/394565785.db2.gz LOLJVJMFGPBHFU-UHFFFAOYSA-N 2 0 275.396 2.703 20 30 CFEDRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000352838063 163247418 /nfs/dbraw/zinc/24/74/18/163247418.db2.gz DMCWUMANEXCMSU-LBPRGKRZSA-N 2 0 280.441 2.615 20 30 CFEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C1 ZINC000651706065 413582420 /nfs/dbraw/zinc/58/24/20/413582420.db2.gz QYWPBTBELOUIIM-SJLPKXTDSA-N 2 0 293.499 2.594 20 30 CFEDRP C=CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CCCOC)CC2)C1 ZINC000651695682 413573812 /nfs/dbraw/zinc/57/38/12/413573812.db2.gz ULCBLISACXPUKI-DOTOQJQBSA-N 2 0 280.456 2.822 20 30 CFEDRP C=CC[C@H]1CC[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000657572636 413762186 /nfs/dbraw/zinc/76/21/86/413762186.db2.gz DJCCICOLGPFEOI-YESZJQIVSA-N 2 0 281.488 2.593 20 30 CFEDRP C=CCC[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000657582826 413768308 /nfs/dbraw/zinc/76/83/08/413768308.db2.gz IIHPEFIBHSNWKA-UHFFFAOYSA-N 2 0 287.451 2.884 20 30 CFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000657834928 413985727 /nfs/dbraw/zinc/98/57/27/413985727.db2.gz CYZKTGYDNGHARA-KSZLIROESA-N 2 0 293.499 2.737 20 30 CFEDRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000044517846 175190868 /nfs/dbraw/zinc/19/08/68/175190868.db2.gz ODMIMKFMACODNZ-CQSZACIVSA-N 2 0 271.408 2.941 20 30 CFEDRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000044532939 175196043 /nfs/dbraw/zinc/19/60/43/175196043.db2.gz HJCQRYRENOMAPQ-HIFRSBDPSA-N 2 0 257.381 2.551 20 30 CFEDRP N#C[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000192700051 227267709 /nfs/dbraw/zinc/26/77/09/227267709.db2.gz XAXHKRCRWGEROP-HOCLYGCPSA-N 2 0 261.413 2.533 20 30 CFEDRP C#CCOc1ccccc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000105455047 261359702 /nfs/dbraw/zinc/35/97/02/261359702.db2.gz LPSPUMATNJKONQ-UHFFFAOYSA-N 2 0 286.419 2.520 20 30 CFEDRP C#CCCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309713601 262005851 /nfs/dbraw/zinc/00/58/51/262005851.db2.gz KZCVPOOMZGGWBF-WMZOPIPTSA-N 2 0 270.420 2.900 20 30 CFEDRP CN(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185792173 262071795 /nfs/dbraw/zinc/07/17/95/262071795.db2.gz DPDOYQUWPUCASG-BZSNNMDCSA-N 2 0 285.435 2.831 20 30 CFEDRP C=CCOCC[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000339095037 262597216 /nfs/dbraw/zinc/59/72/16/262597216.db2.gz FBTUODBEQSHCPV-HOTGVXAUSA-N 2 0 268.445 2.679 20 30 CFEDRP C=CCOc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1Cl ZINC000414825000 263055711 /nfs/dbraw/zinc/05/57/11/263055711.db2.gz GMDQUPRCNCXSDX-AWEZNQCLSA-N 2 0 294.826 2.994 20 30 CFEDRP C=CCOc1ccc(C[NH2+]C[C@@H](C)C[NH2+]C)cc1Cl ZINC000414838862 263057595 /nfs/dbraw/zinc/05/75/95/263057595.db2.gz LSASPUFTRHQIBS-LBPRGKRZSA-N 2 0 282.815 2.850 20 30 CFEDRP C=CCOc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000414857677 263074258 /nfs/dbraw/zinc/07/42/58/263074258.db2.gz PZQXPDJJNSNXDU-HOCLYGCPSA-N 2 0 274.408 2.729 20 30 CFEDRP C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288693173 263105564 /nfs/dbraw/zinc/10/55/64/263105564.db2.gz KFDUFHMROSMWPG-LLVKDONJSA-N 2 0 296.365 2.566 20 30 CFEDRP C=CCOc1cccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000414982041 263180514 /nfs/dbraw/zinc/18/05/14/263180514.db2.gz YEUPAWDLDIFRPU-INIZCTEOSA-N 2 0 274.408 2.873 20 30 CFEDRP C=CCOc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000415059044 263258783 /nfs/dbraw/zinc/25/87/83/263258783.db2.gz WTSDOXQIBQSAAK-RHSMWYFYSA-N 2 0 274.408 2.668 20 30 CFEDRP C[N@H+](CCCC#N)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367888847 267124952 /nfs/dbraw/zinc/12/49/52/267124952.db2.gz ZCRGROJWEGFJTA-UHFFFAOYSA-N 2 0 272.396 2.534 20 30 CFEDRP N#CCCCN1CCCC2(CCC[N@H+](CCCC#N)C2)C1 ZINC000368244755 267155770 /nfs/dbraw/zinc/15/57/70/267155770.db2.gz SHYLQIGGOFZEAU-UHFFFAOYSA-N 2 0 288.439 2.772 20 30 CFEDRP C=CCC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1N1CCOCC1)C1CC1 ZINC000368570718 267187746 /nfs/dbraw/zinc/18/77/46/267187746.db2.gz YUJDHSUCSIPLIV-BZSNNMDCSA-N 2 0 292.467 2.822 20 30 CFEDRP C=CC1CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000346223560 273483914 /nfs/dbraw/zinc/48/39/14/273483914.db2.gz PRAQISYRTYHHFM-UHFFFAOYSA-N 2 0 282.391 2.974 20 30 CFEDRP C[NH+]1CCC(CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353431239 277026137 /nfs/dbraw/zinc/02/61/37/277026137.db2.gz YIUAUHINGPOPFM-GOSISDBHSA-N 2 0 283.419 2.867 20 30 CFEDRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423389299 288323015 /nfs/dbraw/zinc/32/30/15/288323015.db2.gz JHAWCMHCXBTZCD-JEBQAFNWSA-N 2 0 283.419 2.913 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1ccc(OCC#N)cc1 ZINC000271531772 328196824 /nfs/dbraw/zinc/19/68/24/328196824.db2.gz WXOQCGYSXPJHBS-QWQRMKEZSA-N 2 0 299.418 2.722 20 30 CFEDRP N#Cc1ccccc1OC1CCC([NH2+]C2CC[NH2+]CC2)CC1 ZINC000570953477 322561561 /nfs/dbraw/zinc/56/15/61/322561561.db2.gz BKHXGOQPOPPDGI-UHFFFAOYSA-N 2 0 299.418 2.590 20 30 CFEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174273137 323646538 /nfs/dbraw/zinc/64/65/38/323646538.db2.gz OJSZOTPTZFQBLX-HUUCEWRRSA-N 2 0 289.423 2.999 20 30 CFEDRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185760165 329331324 /nfs/dbraw/zinc/33/13/24/329331324.db2.gz QBWIYNILTVIJAA-IRXDYDNUSA-N 2 0 271.408 2.920 20 30 CFEDRP CC[NH+]1CCC(CC[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185845062 329333122 /nfs/dbraw/zinc/33/31/22/329333122.db2.gz OGALMXXFWLHTGU-HOTGVXAUSA-N 2 0 263.429 2.780 20 30 CFEDRP C=CCCC[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188328501 329366364 /nfs/dbraw/zinc/36/63/64/329366364.db2.gz CAUHMRIZMWKOTJ-GOSISDBHSA-N 2 0 288.435 2.521 20 30 CFEDRP C=CCSCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261589267 329971967 /nfs/dbraw/zinc/97/19/67/329971967.db2.gz WFBNVGALKRXKOH-RRFJBIMHSA-N 2 0 268.470 2.806 20 30 CFEDRP N#CC1(c2ccccc2)CC([NH2+]C2CCN(C3CC3)CC2)C1 ZINC000158469477 330054130 /nfs/dbraw/zinc/05/41/30/330054130.db2.gz JQANOURWUYNEIW-UHFFFAOYSA-N 2 0 295.430 2.827 20 30 CFEDRP C=CCOc1ccccc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422912460 330159988 /nfs/dbraw/zinc/15/99/88/330159988.db2.gz WEGITLGTIQQQEC-GDBMZVCRSA-N 2 0 274.408 2.729 20 30 CFEDRP C=C(C)C[NH+]1CCC(N[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422982078 330162485 /nfs/dbraw/zinc/16/24/85/330162485.db2.gz VKZXIKKYKWMDNS-MSOLQXFVSA-N 2 0 285.435 2.761 20 30 CFEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423161880 330173609 /nfs/dbraw/zinc/17/36/09/330173609.db2.gz SQTGAHYFYWYETI-ARKGTOAJSA-N 2 0 261.413 2.579 20 30 CFEDRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000423296571 330188759 /nfs/dbraw/zinc/18/87/59/330188759.db2.gz ZLFUYYSAOOPWAT-DUVNUKRYSA-N 2 0 257.381 2.878 20 30 CFEDRP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424187220 330320075 /nfs/dbraw/zinc/32/00/75/330320075.db2.gz AMNKNDYBRFNQBO-DZJNRPSUSA-N 2 0 283.419 2.789 20 30 CFEDRP C[N@H+](CCCC[NH2+]CC(C)(C)CCC#N)C1CC1 ZINC000453597000 331135548 /nfs/dbraw/zinc/13/55/48/331135548.db2.gz MTFDFOBPCYOYRO-UHFFFAOYSA-N 2 0 251.418 2.780 20 30 CFEDRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000175012208 335171199 /nfs/dbraw/zinc/17/11/99/335171199.db2.gz GRXXAWWBSLBVGL-KGLIPLIRSA-N 2 0 251.418 2.779 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245414270 521719473 /nfs/dbraw/zinc/71/94/73/521719473.db2.gz CDSJWBQLWILIMT-YOEHRIQHSA-N 2 0 271.408 2.720 20 30 CFEDRP C[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)C[NH+]1CCCC1 ZINC000062077868 524500013 /nfs/dbraw/zinc/50/00/13/524500013.db2.gz FMXCQFOLRUQTJS-HUUCEWRRSA-N 2 0 271.408 2.941 20 30 CFEDRP C=CCOc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000347113284 526866121 /nfs/dbraw/zinc/86/61/21/526866121.db2.gz RPQVQQZAWKNQGP-AWEZNQCLSA-N 2 0 274.408 2.811 20 30 CFEDRP CN(CCC[NH+]1CCCCC1)Cc1cc(C#N)cs1 ZINC000933773065 617775594 /nfs/dbraw/zinc/77/55/94/617775594.db2.gz AWYISOQCDZNQDF-UHFFFAOYSA-N 2 0 277.437 2.928 20 30 CFEDRP Cc1cccc(NC(=[NH2+])NCC[N@@H+](C)C2CCCCC2)c1 ZINC000104168516 617952378 /nfs/dbraw/zinc/95/23/78/617952378.db2.gz AZZPOEPEUXLCBR-UHFFFAOYSA-N 2 0 288.439 2.986 20 30 CFEDRP C[NH+](C)Cc1cccc(CNC(=[NH2+])Nc2ccccc2)c1 ZINC000161496608 618122891 /nfs/dbraw/zinc/12/28/91/618122891.db2.gz DLVUEGMBJNRYGJ-UHFFFAOYSA-N 2 0 282.391 2.675 20 30 CFEDRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NC2CCCCC2)C1 ZINC000157385484 618175021 /nfs/dbraw/zinc/17/50/21/618175021.db2.gz DWRKVERWQDJOJC-HNNXBMFYSA-N 2 0 294.487 2.591 20 30 CFEDRP C[C@H](c1cccc(C#N)c1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000782183182 618199968 /nfs/dbraw/zinc/19/99/68/618199968.db2.gz ILGJCVIFAHYKTJ-CQSZACIVSA-N 2 0 271.408 2.893 20 30 CFEDRP C=CCOCCC[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926703134 618455325 /nfs/dbraw/zinc/45/53/25/618455325.db2.gz KHKPAGLZBXPXGE-UHFFFAOYSA-N 2 0 268.445 2.679 20 30 CFEDRP C[NH+]1CCC(C[NH2+]C(C)(C)c2cccc(C#N)c2)CC1 ZINC000895329089 618534943 /nfs/dbraw/zinc/53/49/43/618534943.db2.gz OXCGTNIOMQMNKR-UHFFFAOYSA-N 2 0 271.408 2.725 20 30 CFEDRP C#CCCC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000178052960 618621276 /nfs/dbraw/zinc/62/12/76/618621276.db2.gz BLAMCBRSZVXWEJ-HNNXBMFYSA-N 2 0 274.408 2.691 20 30 CFEDRP C=C(C)C[NH+]1CCC(NCc2c(C)noc2CC)CC1 ZINC000892881244 618762669 /nfs/dbraw/zinc/76/26/69/618762669.db2.gz SSQIMYDQCOVIHM-UHFFFAOYSA-N 2 0 277.412 2.676 20 30 CFEDRP C[N@@H+]1CCC[C@@]2(CC[NH+](CC3CCC(C#N)CC3)C2)C1 ZINC000930575988 618871332 /nfs/dbraw/zinc/87/13/32/618871332.db2.gz AVBQEPFZNSGNLQ-OFLPRAFFSA-N 2 0 275.440 2.734 20 30 CFEDRP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000925761004 619071736 /nfs/dbraw/zinc/07/17/36/619071736.db2.gz WSAXDRUPGVKOOD-AWEZNQCLSA-N 2 0 287.407 2.853 20 30 CFEDRP CSc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1C#N ZINC000925771611 619085301 /nfs/dbraw/zinc/08/53/01/619085301.db2.gz CNSBNSFVVNFTQK-DOMZBBRYSA-N 2 0 289.448 2.758 20 30 CFEDRP C#CC[NH+]1CCC(Nc2nccc3ccccc32)CC1 ZINC000895811605 619613281 /nfs/dbraw/zinc/61/32/81/619613281.db2.gz UCZRHCNGLSDVQK-UHFFFAOYSA-N 2 0 265.360 2.744 20 30 CFEDRP CCC(CC)[C@H](CNC(=[NH2+])N1CCCCCC1)[NH+](C)C ZINC000305063421 619986933 /nfs/dbraw/zinc/98/69/33/619986933.db2.gz LZPHGXCUOJNKLT-HNNXBMFYSA-N 2 0 282.476 2.544 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000903426844 621370235 /nfs/dbraw/zinc/37/02/35/621370235.db2.gz PQYLHNAIVGNUJB-INIZCTEOSA-N 2 0 259.397 2.638 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000903458614 621379811 /nfs/dbraw/zinc/37/98/11/621379811.db2.gz FOHBNNDXWMKXBS-MLGOLLRUSA-N 2 0 271.408 2.592 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000903425129 621379936 /nfs/dbraw/zinc/37/99/36/621379936.db2.gz TYZPMBZYSUYHMI-ZBFHGGJFSA-N 2 0 271.408 2.734 20 30 CFEDRP CC[C@H]1C[N@H+](Cc2c(C)cc(C#N)cc2C)CC[C@H]1[NH3+] ZINC000903449818 621386148 /nfs/dbraw/zinc/38/61/48/621386148.db2.gz HMVJBQBBYONKHM-DOTOQJQBSA-N 2 0 271.408 2.734 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000903454862 621387871 /nfs/dbraw/zinc/38/78/71/621387871.db2.gz LMBHLLBJTABZMY-INIZCTEOSA-N 2 0 271.408 2.653 20 30 CFEDRP N#Cc1ccc(C2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000903708256 621423495 /nfs/dbraw/zinc/42/34/95/621423495.db2.gz ZFCMIGPQGMAZMN-UHFFFAOYSA-N 2 0 283.419 2.737 20 30 CFEDRP C=CC[N@@H+](Cc1cccs1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718415 621425148 /nfs/dbraw/zinc/42/51/48/621425148.db2.gz MEMMRSGPAYQAET-GDBMZVCRSA-N 2 0 292.448 2.505 20 30 CFEDRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCCCC1(C#N)CCC1 ZINC000903753517 621433198 /nfs/dbraw/zinc/43/31/98/621433198.db2.gz VNQDYRVGXPVZJZ-CQSZACIVSA-N 2 0 263.429 2.828 20 30 CFEDRP C=C(Cl)C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903791462 621439116 /nfs/dbraw/zinc/43/91/16/621439116.db2.gz YDMAHKZMGAPTSH-UHFFFAOYSA-N 2 0 264.800 2.731 20 30 CFEDRP N#CCc1cccc2c1CC[N@H+](C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903776308 621440066 /nfs/dbraw/zinc/44/00/66/621440066.db2.gz SAYBHWSBCXEDDC-OAHLLOKOSA-N 2 0 283.419 2.500 20 30 CFEDRP C#CCOc1ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc1 ZINC000824914379 623586816 /nfs/dbraw/zinc/58/68/16/623586816.db2.gz RIUKXOZKOHYZTI-UHFFFAOYSA-N 2 0 288.435 2.909 20 30 CFEDRP N#Cc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cs1 ZINC000922067993 626203499 /nfs/dbraw/zinc/20/34/99/626203499.db2.gz HANFLIACERAZKU-UHFFFAOYSA-N 2 0 275.421 2.584 20 30 CFEDRP CSC1(C[NH2+]Cc2csc(C#N)c2)CC[NH+](C)CC1 ZINC000922137566 626215690 /nfs/dbraw/zinc/21/56/90/626215690.db2.gz AYUHJZDYCUYLQA-UHFFFAOYSA-N 2 0 295.477 2.537 20 30 CFEDRP C#CCCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000852116264 634662615 /nfs/dbraw/zinc/66/26/15/634662615.db2.gz MAFSEGXNFLSZER-UHFFFAOYSA-N 2 0 256.393 2.654 20 30 CFEDRP C#Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000787771669 629034224 /nfs/dbraw/zinc/03/42/24/629034224.db2.gz SKWJUQQRGPSKCH-RHSMWYFYSA-N 2 0 256.393 2.582 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000817965367 632764089 /nfs/dbraw/zinc/76/40/89/632764089.db2.gz SUXNMFCSZMYLSZ-HNNXBMFYSA-N 2 0 286.419 2.739 20 30 CFEDRP C[NH+](C)CCC[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000848980480 633414266 /nfs/dbraw/zinc/41/42/66/633414266.db2.gz SRUMARIDRRZYQF-UHFFFAOYSA-N 2 0 288.439 2.892 20 30 CFEDRP C[NH+]=C(NCC1([NH+]2CCCCC2)CCCCC1)NC1CC1 ZINC000849049584 633480880 /nfs/dbraw/zinc/48/08/80/633480880.db2.gz IAZVFVWRGZCRPH-UHFFFAOYSA-N 2 0 292.471 2.503 20 30 CFEDRP C#CCCOc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000113336339 635554776 /nfs/dbraw/zinc/55/47/76/635554776.db2.gz YNCWSABZXREYAP-UHFFFAOYSA-N 2 0 286.419 2.520 20 30 CFEDRP C[C@H]1CCC[C@](CNC(=[NH2+])NC2CCCCC2)([NH+](C)C)C1 ZINC000203056320 637379027 /nfs/dbraw/zinc/37/90/27/637379027.db2.gz MCPYXUUAMIVSOH-YOEHRIQHSA-N 2 0 294.487 2.734 20 30 CFEDRP CC(=NNc1cc[nH+]c(C)c1)c1ccc(C[NH+](C)C)cc1 ZINC000863159416 637573850 /nfs/dbraw/zinc/57/38/50/637573850.db2.gz QGWGWGUTARHGEA-UHFFFAOYSA-N 2 0 282.391 2.710 20 30 CFEDRP C[C@H](c1ccc(C#N)cc1)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866584435 638848937 /nfs/dbraw/zinc/84/89/37/638848937.db2.gz IGVKJFHACGGQCJ-XYPHTWIQSA-N 2 0 269.392 2.645 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000873241067 642091058 /nfs/dbraw/zinc/09/10/58/642091058.db2.gz UDNCXUMNZDIMQQ-BFYDXBDKSA-N 2 0 286.419 2.867 20 30 CFEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873248690 642096132 /nfs/dbraw/zinc/09/61/32/642096132.db2.gz DPICRLZOXBQNSZ-LXZKKBNFSA-N 2 0 269.392 2.653 20 30 CFEDRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OCC#N)cc1 ZINC000873265295 642108067 /nfs/dbraw/zinc/10/80/67/642108067.db2.gz UTGRVIQWUUJQOF-TXCZRRACSA-N 2 0 299.418 2.770 20 30 CFEDRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cccc(C#N)c1 ZINC000873273176 642114137 /nfs/dbraw/zinc/11/41/37/642114137.db2.gz YUSOMWMLAKFEFL-STQMWFEESA-N 2 0 257.381 2.597 20 30 CFEDRP C=CC(C)(C)CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000873278899 642116285 /nfs/dbraw/zinc/11/62/85/642116285.db2.gz ABOINFXCJORUIY-SOUVJXGZSA-N 2 0 250.430 2.957 20 30 CFEDRP C=CC(C)(C)CCC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000873281365 642117284 /nfs/dbraw/zinc/11/72/84/642117284.db2.gz ZYBLNWQWEODOAZ-ARFHVFGLSA-N 2 0 280.456 2.726 20 30 CFEDRP C=CCC[C@H](CCC)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290958 642122640 /nfs/dbraw/zinc/12/26/40/642122640.db2.gz HGZXBAOFLKEUOI-JKSUJKDBSA-N 2 0 280.456 2.870 20 30 CFEDRP CCCCCCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000876897934 643056913 /nfs/dbraw/zinc/05/69/13/643056913.db2.gz NZWPDNAQBBGLKV-UHFFFAOYSA-N 2 0 270.461 2.782 20 30 CFEDRP C#CCCCCCC[NH2+]CCC1CC[NH+](C)CC1 ZINC000877020322 643107552 /nfs/dbraw/zinc/10/75/52/643107552.db2.gz PJUXFNFVXSLJIK-UHFFFAOYSA-N 2 0 250.430 2.892 20 30 CFEDRP C#CCCCCC[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000878162438 643769360 /nfs/dbraw/zinc/76/93/60/643769360.db2.gz NGVCHDXBCYNRBD-MRXNPFEDSA-N 2 0 250.430 2.844 20 30 CFEDRP C=CC[NH+](C)Cc1cc(C#N)cc(C[N@H+](C)CC=C)c1 ZINC000878462767 643904350 /nfs/dbraw/zinc/90/43/50/643904350.db2.gz XZLWDDPEMQZXRI-UHFFFAOYSA-N 2 0 269.392 2.794 20 30 CFEDRP CCCC[C@@H](CC)CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000303713802 650999295 /nfs/dbraw/zinc/99/92/95/650999295.db2.gz QYUOVLZLPMYSQD-HUUCEWRRSA-N 2 0 282.476 2.591 20 30 CFEDRP CCN(CC)C(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000303779628 651001590 /nfs/dbraw/zinc/00/15/90/651001590.db2.gz KSFWCABTBDKSAH-HNNXBMFYSA-N 2 0 282.476 2.544 20 30 CFEDRP Cc1cccc(NC(=[NH2+])NCCC[NH+]2CCCCCC2)c1 ZINC000303774104 651001636 /nfs/dbraw/zinc/00/16/36/651001636.db2.gz FUIWTVADNCNKLY-UHFFFAOYSA-N 2 0 288.439 2.988 20 30 CFEDRP CCc1cccc(NC(=[NH2+])NC[C@@H](CC)[NH+]2CCCC2)c1 ZINC000303876169 651005136 /nfs/dbraw/zinc/00/51/36/651005136.db2.gz DSUYIGUENLQHEE-MRXNPFEDSA-N 2 0 288.439 2.850 20 30 CFEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=[NH2+])NC2CCCCC2)C1 ZINC000303881156 651005615 /nfs/dbraw/zinc/00/56/15/651005615.db2.gz HMNXVUAPDSYNDU-HUUCEWRRSA-N 2 0 294.487 2.591 20 30 CFEDRP C[C@@H]1CCCN(C(=[NH2+])NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000303898544 651008358 /nfs/dbraw/zinc/00/83/58/651008358.db2.gz RARNLMZIWWQURN-HZPDHXFCSA-N 2 0 294.487 2.545 20 30 CFEDRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=[NH2+])N2CCCCC2)C1 ZINC000303889595 651006381 /nfs/dbraw/zinc/00/63/81/651006381.db2.gz PNNULWZDRCQWHF-GJZGRUSLSA-N 2 0 294.487 2.544 20 30 CFEDRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])NC2CCCCC2)C1 ZINC000303890005 651006441 /nfs/dbraw/zinc/00/64/41/651006441.db2.gz PUMXTXKHKNKUGT-AWEZNQCLSA-N 2 0 294.487 2.734 20 30 CFEDRP CCC[NH+]1CCC(CNC(=[NH2+])Nc2cccc(C)c2)CC1 ZINC000303898435 651008031 /nfs/dbraw/zinc/00/80/31/651008031.db2.gz VNFVKOGTZKJOHV-UHFFFAOYSA-N 2 0 288.439 2.844 20 30 CFEDRP C=CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCC)C1)[C@H]1CCCO1 ZINC000883175461 645641443 /nfs/dbraw/zinc/64/14/43/645641443.db2.gz HXIXAVBCTHWPLW-IXDOHACOSA-N 2 0 280.456 2.822 20 30 CFEDRP C=CCC[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)[C@@H]1CCCO1 ZINC000883193439 645653927 /nfs/dbraw/zinc/65/39/27/645653927.db2.gz WIYOTKARADTHRF-FZKCQIBNSA-N 2 0 266.429 2.573 20 30 CFEDRP C=CCC[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)[C@@H]1CCCO1 ZINC000883229049 645678791 /nfs/dbraw/zinc/67/87/91/645678791.db2.gz ZMKNCSRSNZIXKL-SJORKVTESA-N 2 0 285.391 2.938 20 30 CFEDRP C=CCC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H]1CCCO1 ZINC000883230440 645680101 /nfs/dbraw/zinc/68/01/01/645680101.db2.gz GTJZKJYAEQUHAU-GQGLESIBSA-N 2 0 280.456 2.963 20 30 CFEDRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=[NH2+])N1CCCCCC1 ZINC000305044688 651042060 /nfs/dbraw/zinc/04/20/60/651042060.db2.gz DZQUPHKUXMFLHT-MRXNPFEDSA-N 2 0 294.487 2.832 20 30 CFEDRP C=C[C@@H]1OCC[C@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886618752 647071637 /nfs/dbraw/zinc/07/16/37/647071637.db2.gz JUJUMRHNCFOJBR-GMRIPVOYSA-N 2 0 278.440 2.717 20 30 CFEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925654236 648263751 /nfs/dbraw/zinc/26/37/51/648263751.db2.gz FFTGCQFJPZFKCI-BDXSIMOUSA-N 2 0 292.467 2.726 20 30 CFEDRP CC1(C)C[C@@H]([NH2+]CC2CCC(C#N)CC2)C[C@@H]([NH3+])C1 ZINC000925655614 648265560 /nfs/dbraw/zinc/26/55/60/648265560.db2.gz SHUCURRRPNEOIN-CVSAEHQPSA-N 2 0 263.429 2.812 20 30 CFEDRP N#Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1Cl ZINC000925667584 648270869 /nfs/dbraw/zinc/27/08/69/648270869.db2.gz VRBOOZCEPDDUPK-KGLIPLIRSA-N 2 0 275.783 2.571 20 30 CFEDRP C=CCCSCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925708646 648289348 /nfs/dbraw/zinc/28/93/48/648289348.db2.gz RMEVHGIGHIJQLG-OLZOCXBDSA-N 2 0 256.459 2.791 20 30 CFEDRP N#Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925714326 648292415 /nfs/dbraw/zinc/29/24/15/648292415.db2.gz PZTZPPCNTVKQON-RBUKOAKNSA-N 2 0 297.446 2.859 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC000925883357 648355338 /nfs/dbraw/zinc/35/53/38/648355338.db2.gz VOQHVTMHGAWVGF-LXZKKBNFSA-N 2 0 269.392 2.653 20 30 CFEDRP CSC1(C[NH2+][C@H](C)CC(C)(C)C#N)CC[NH+](C)CC1 ZINC000926447407 648490654 /nfs/dbraw/zinc/49/06/54/648490654.db2.gz CBWAYCIGVNENRU-CYBMUJFWSA-N 2 0 283.485 2.732 20 30 CFEDRP C=CCOCCC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926702531 648581761 /nfs/dbraw/zinc/58/17/61/648581761.db2.gz IOGKWDVYJSRNQL-HNNXBMFYSA-N 2 0 276.424 2.992 20 30 CFEDRP C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926864285 648638428 /nfs/dbraw/zinc/63/84/28/648638428.db2.gz NNXRZQLIHIAZOX-PBHICJAKSA-N 2 0 276.424 2.726 20 30 CFEDRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000926962937 648673252 /nfs/dbraw/zinc/67/32/52/648673252.db2.gz AKCRUMTYHQCPKV-WMLDXEAASA-N 2 0 271.408 2.687 20 30 CFEDRP C[N@@H+]1CC[C@@H]2C[NH+](CCC3(C#N)CCCCC3)C[C@@H]2C1 ZINC000931441739 649428544 /nfs/dbraw/zinc/42/85/44/649428544.db2.gz OHLQDWOEQBSXHL-CVEARBPZSA-N 2 0 275.440 2.734 20 30 CFEDRP C#CCN(C)CCC[NH2+][C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000328172694 775733073 /nfs/dbraw/zinc/73/30/73/775733073.db2.gz KZRJKQOUGBQVRK-IAGOWNOFSA-N 2 0 292.467 2.659 20 30 CFEDRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cncc(C#N)c1 ZINC000721579383 777109857 /nfs/dbraw/zinc/10/98/57/777109857.db2.gz JNCPSLPUUUIQSK-AWEZNQCLSA-N 2 0 274.412 2.553 20 30 CFEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H](C3C[NH2+]C3)C2)CC1 ZINC001235337253 778459161 /nfs/dbraw/zinc/45/91/61/778459161.db2.gz HVIZCUZGQCKANM-CVEARBPZSA-N 2 0 260.425 2.830 20 30 CFEDRP CCCCCCC[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235404054 778478026 /nfs/dbraw/zinc/47/80/26/778478026.db2.gz MBOXFDQXZXPBCI-LSDHHAIUSA-N 2 0 256.409 2.980 20 30 CFEDRP C=CC[N@H+](Cc1ccc2n1CC[NH2+]C2)C1CCCCC1 ZINC001236434385 778828046 /nfs/dbraw/zinc/82/80/46/778828046.db2.gz RTCMVQCWXBFLIO-UHFFFAOYSA-N 2 0 273.424 2.912 20 30 CFEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC001236820333 778953932 /nfs/dbraw/zinc/95/39/32/778953932.db2.gz QPZSJSSUNQEBJS-QZWWFDLISA-N 2 0 260.425 2.958 20 30 CFEDRP CCc1cc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)ccc1C#N ZINC001278037252 778991134 /nfs/dbraw/zinc/99/11/34/778991134.db2.gz MYSNCZKEANQRSX-KDURUIRLSA-N 2 0 297.446 2.894 20 30 CFEDRP C=CCCCCCCCC[N@@H+]1CC[C@@]2(C1)CNCCO2 ZINC001237143363 779024346 /nfs/dbraw/zinc/02/43/46/779024346.db2.gz QXKATVNERPAMTI-KRWDZBQOSA-N 2 0 280.456 2.967 20 30 CFEDRP C=CCCCCCCCC[N@@H+]1CC[C@]2(C1)CNCCO2 ZINC001237143366 779025604 /nfs/dbraw/zinc/02/56/04/779025604.db2.gz QXKATVNERPAMTI-QGZVFWFLSA-N 2 0 280.456 2.967 20 30 CFEDRP CCCCCCCCC[N@@H+]1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001236074264 779458148 /nfs/dbraw/zinc/45/81/48/779458148.db2.gz WCLHSEJTSSRJCF-KRWDZBQOSA-N 2 0 281.488 2.844 20 30 CFEDRP CCCCCCCC[NH+]1CCC(N2CC[C@@H]([NH3+])C2)CC1 ZINC001236614869 779604274 /nfs/dbraw/zinc/60/42/74/779604274.db2.gz CVJIVTYAWXDBOQ-MRXNPFEDSA-N 2 0 281.488 2.844 20 30 CFEDRP N#Cc1cc(-c2cc3[nH]ccc3c[nH+]2)cc(C2C[NH2+]C2)c1 ZINC001240337411 780092345 /nfs/dbraw/zinc/09/23/45/780092345.db2.gz HGPSIROPNNPUDE-UHFFFAOYSA-N 2 0 274.327 2.788 20 30 CFEDRP N#Cc1cc(-c2cccc3c2CC[C@@H]3[NH3+])cc(C2C[NH2+]C2)c1 ZINC001240355673 780107506 /nfs/dbraw/zinc/10/75/06/780107506.db2.gz KJWRNMOVGYKECL-IBGZPJMESA-N 2 0 289.382 2.858 20 30 CFEDRP N#C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000595070508 349573358 /nfs/dbraw/zinc/57/33/58/349573358.db2.gz VKFUHFRQOZKQFR-ZWKOTPCHSA-N 2 0 298.434 2.575 20 30 CFEDRP C=CCCSCC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000595058312 349569660 /nfs/dbraw/zinc/56/96/60/349569660.db2.gz HHTSMWDVSIQKSZ-KBPBESRZSA-N 2 0 256.459 2.616 20 30 CFEDRP C[NH2+]C[C@@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595894756 349763431 /nfs/dbraw/zinc/76/34/31/349763431.db2.gz WTBUUZBZSXJPHD-LBPRGKRZSA-N 2 0 297.324 2.618 20 30 CFEDRP N#Cc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000595900825 349765390 /nfs/dbraw/zinc/76/53/90/349765390.db2.gz MOKSKGRGUQZNDU-SFHVURJKSA-N 2 0 283.419 2.770 20 30 CFEDRP C[C@]1(C#N)CC[NH+](CCCCC[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595839702 349750682 /nfs/dbraw/zinc/75/06/82/349750682.db2.gz IHCCGVZAFSRKFT-IAGOWNOFSA-N 2 0 288.439 2.628 20 30 CFEDRP C=CCCC[C@@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000091559209 347592943 /nfs/dbraw/zinc/59/29/43/347592943.db2.gz KOBJOYIIVCTJAB-QZTJIDSGSA-N 2 0 293.499 2.833 20 30 CFEDRP CC(C)[NH2+]CCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591577275 349031049 /nfs/dbraw/zinc/03/10/49/349031049.db2.gz LBSFTSVZHCHEMO-KRWDZBQOSA-N 2 0 271.408 2.913 20 30 CFEDRP CC1(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC[NH2+]CC1 ZINC000591578214 349031657 /nfs/dbraw/zinc/03/16/57/349031657.db2.gz YZLCPLUGMIMNGI-QGZVFWFLSA-N 2 0 283.419 2.915 20 30 CFEDRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591581401 349032749 /nfs/dbraw/zinc/03/27/49/349032749.db2.gz VHKXEOORPQKXQU-OAUYIBNBSA-N 2 0 269.392 2.523 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000591582625 349033029 /nfs/dbraw/zinc/03/30/29/349033029.db2.gz PMJIVNXLSDIMPI-GOSISDBHSA-N 2 0 281.403 2.835 20 30 CFEDRP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000592401966 349117219 /nfs/dbraw/zinc/11/72/19/349117219.db2.gz FLSNTYLQBKHCOK-HPBDAGMYSA-N 2 0 283.419 2.614 20 30 CFEDRP N#Cc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592986369 349181603 /nfs/dbraw/zinc/18/16/03/349181603.db2.gz ZVJNBYMURJRBOC-QZTJIDSGSA-N 2 0 283.419 2.770 20 30 CFEDRP C[NH2+]Cc1ccccc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000593323977 349247611 /nfs/dbraw/zinc/24/76/11/349247611.db2.gz UZZMAIBWSSTAEC-UHFFFAOYSA-N 2 0 271.408 2.968 20 30 CFEDRP C[NH+](C)CCCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594496347 349429956 /nfs/dbraw/zinc/42/99/56/349429956.db2.gz KNSPKBILIRXLFP-UHFFFAOYSA-N 2 0 273.424 2.919 20 30 CFEDRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594496667 349430038 /nfs/dbraw/zinc/43/00/38/349430038.db2.gz QXEREDKUGFRSDJ-AWEZNQCLSA-N 2 0 273.424 2.918 20 30 CFEDRP CCC[NH+]1CCC(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000105446294 186058241 /nfs/dbraw/zinc/05/82/41/186058241.db2.gz BHGGHNCPDUVEOI-UHFFFAOYSA-N 2 0 271.408 2.770 20 30 CFEDRP N#Cc1ccccc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000598681546 350310181 /nfs/dbraw/zinc/31/01/81/350310181.db2.gz GUULLVRMBXEMEQ-QGZVFWFLSA-N 2 0 283.419 2.770 20 30 CFEDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598714162 350315838 /nfs/dbraw/zinc/31/58/38/350315838.db2.gz GCSPZYNXQCCSNK-JKSUJKDBSA-N 2 0 295.471 2.531 20 30 CFEDRP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(C#N)cc2)CC1(C)C ZINC000598980977 350353334 /nfs/dbraw/zinc/35/33/34/350353334.db2.gz JSBFGFOJLLBPPU-MRXNPFEDSA-N 2 0 271.408 2.563 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(C#N)cc2)CC1(C)C ZINC000598980971 350353578 /nfs/dbraw/zinc/35/35/78/350353578.db2.gz JSBFGFOJLLBPPU-INIZCTEOSA-N 2 0 271.408 2.563 20 30 CFEDRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1C#N ZINC000600709937 350599026 /nfs/dbraw/zinc/59/90/26/350599026.db2.gz LETULBVSFOKWGW-SJLPKXTDSA-N 2 0 283.419 2.831 20 30 CFEDRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1C#N ZINC000600709974 350599120 /nfs/dbraw/zinc/59/91/20/350599120.db2.gz MKIXLSMBQVAIOX-IRXDYDNUSA-N 2 0 283.419 2.688 20 30 CFEDRP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1C#N ZINC000600710017 350599126 /nfs/dbraw/zinc/59/91/26/350599126.db2.gz MSRYAIXHVHSBGP-KEYYUXOJSA-N 2 0 271.408 2.672 20 30 CFEDRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1C#N ZINC000600709935 350599150 /nfs/dbraw/zinc/59/91/50/350599150.db2.gz LETULBVSFOKWGW-FUHWJXTLSA-N 2 0 283.419 2.831 20 30 CFEDRP N#CCc1cccc2c1CC[N@H+](CCCC1CC[NH2+]CC1)C2 ZINC000600751075 350605946 /nfs/dbraw/zinc/60/59/46/350605946.db2.gz PHZURHNQGFHFCK-UHFFFAOYSA-N 2 0 297.446 2.891 20 30 CFEDRP C[C@H](CCC#N)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000602477584 350899003 /nfs/dbraw/zinc/89/90/03/350899003.db2.gz TUIWZCZNTPQZPQ-HZPDHXFCSA-N 2 0 263.429 2.734 20 30 CFEDRP C[C@H](C[NH2+]C1CCC(C#N)CC1)C[NH+]1CCCCC1 ZINC000602517264 350911849 /nfs/dbraw/zinc/91/18/49/350911849.db2.gz DQSVRAMRCHGKOG-QQFBHYJXSA-N 2 0 263.429 2.780 20 30 CFEDRP C[C@@H](CCC#N)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000602449429 350886747 /nfs/dbraw/zinc/88/67/47/350886747.db2.gz LTASKYMGMDVAQD-AWEZNQCLSA-N 2 0 251.418 2.590 20 30 CFEDRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602474290 350896140 /nfs/dbraw/zinc/89/61/40/350896140.db2.gz GHZMVZCOUXOMAA-HUUCEWRRSA-N 2 0 251.418 2.590 20 30 CFEDRP C[C@@H](CCC#N)C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000602647391 350960835 /nfs/dbraw/zinc/96/08/35/350960835.db2.gz IAWSOFZZOFBBPY-YTQUADARSA-N 2 0 297.446 2.990 20 30 CFEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000602689887 350980744 /nfs/dbraw/zinc/98/07/44/350980744.db2.gz GPOMDXYMBAHAMT-CQSZACIVSA-N 2 0 298.390 2.523 20 30 CFEDRP C[C@@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000602812592 351035231 /nfs/dbraw/zinc/03/52/31/351035231.db2.gz UEZHJXMGPGBSSV-HUUCEWRRSA-N 2 0 275.440 2.923 20 30 CFEDRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391172 351680610 /nfs/dbraw/zinc/68/06/10/351680610.db2.gz YOBVIBWIYGUGNM-CRAIPNDOSA-N 2 0 283.419 2.867 20 30 CFEDRP N#Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000334983414 283139277 /nfs/dbraw/zinc/13/92/77/283139277.db2.gz KAMCJXPHDAABDW-SJORKVTESA-N 2 0 269.392 2.522 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc(C#N)c(F)c1 ZINC000423277190 238335927 /nfs/dbraw/zinc/33/59/27/238335927.db2.gz NWDXPEJGZBQBAA-HZUKXOBISA-N 2 0 275.371 2.865 20 30 CFEDRP CC[N@@H+]1CC[C@@H](NCc2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000449734411 242124865 /nfs/dbraw/zinc/12/48/65/242124865.db2.gz BJBAILCOQZWERF-BLLLJJGKSA-N 2 0 275.371 2.517 20 30 CFEDRP CC1CC[NH+](CCCC[NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000574191620 334999426 /nfs/dbraw/zinc/99/94/26/334999426.db2.gz HLBCEFAONIJAFH-MRXNPFEDSA-N 2 0 276.428 2.532 20 30 CFEDRP C[C@H](C[NH2+]Cc1cccc(C#N)c1)C[NH+]1CCCCC1 ZINC000037997645 372755678 /nfs/dbraw/zinc/75/56/78/372755678.db2.gz CKBDCSDGJZJDDD-OAHLLOKOSA-N 2 0 271.408 2.770 20 30 CFEDRP CC[NH+](CC)CCCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000264056172 383692822 /nfs/dbraw/zinc/69/28/22/383692822.db2.gz AVJMBBXFSQBGEW-UHFFFAOYSA-N 2 0 276.428 2.762 20 30 CFEDRP Cc1nccn1CCCNC(=[NH2+])N[C@H](C)CCCC(C)C ZINC000264076449 383693371 /nfs/dbraw/zinc/69/33/71/383693371.db2.gz FXFUEPIRYRLRNL-CQSZACIVSA-N 2 0 293.459 2.701 20 30 CFEDRP CC(C)c1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000264114712 383697987 /nfs/dbraw/zinc/69/79/87/383697987.db2.gz SAZQDKXRZCIHFH-HNNXBMFYSA-N 2 0 274.412 2.631 20 30 CFEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc(C)c(C)c2)C1 ZINC000264131856 383699488 /nfs/dbraw/zinc/69/94/88/383699488.db2.gz YDHOZGGIFZZSGE-OAHLLOKOSA-N 2 0 288.439 2.762 20 30 CFEDRP C[NH+](C)CCC1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000092381323 375105955 /nfs/dbraw/zinc/10/59/55/375105955.db2.gz LBVHWMHAULVNIX-UHFFFAOYSA-N 2 0 277.437 2.783 20 30 CFEDRP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000093693996 375299276 /nfs/dbraw/zinc/29/92/76/375299276.db2.gz DOFZODBOOOKMAS-HNNXBMFYSA-N 2 0 265.445 2.980 20 30 CFEDRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(C#N)c1 ZINC000093515680 375261896 /nfs/dbraw/zinc/26/18/96/375261896.db2.gz MGEQQNUGKYCFMB-RHSMWYFYSA-N 2 0 271.408 2.959 20 30 CFEDRP CCN(CC)C(=[NH2+])NCc1cccc(C[NH+](CC)CC)c1 ZINC000104164700 375771682 /nfs/dbraw/zinc/77/16/82/375771682.db2.gz KBXIBRWVELAKQG-UHFFFAOYSA-N 2 0 290.455 2.685 20 30 CFEDRP Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000123620101 376962112 /nfs/dbraw/zinc/96/21/12/376962112.db2.gz LDACZBMNIMZSPS-KRWDZBQOSA-N 2 0 294.402 2.746 20 30 CFEDRP CC[NH+]1CCC(N(C)Cc2cc(C#N)cs2)CC1 ZINC000125279044 377135651 /nfs/dbraw/zinc/13/56/51/377135651.db2.gz HGUAYLVEPNJQKV-UHFFFAOYSA-N 2 0 263.410 2.536 20 30 CFEDRP CCC#C[C@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000679537540 542203895 /nfs/dbraw/zinc/20/38/95/542203895.db2.gz SSVUKZGOKUBKDU-KRWDZBQOSA-N 2 0 292.467 2.613 20 30 CFEDRP N#Cc1cccc(C[NH+]2CCC(c3ncc[nH]3)CC2)c1F ZINC000334710338 379806383 /nfs/dbraw/zinc/80/63/83/379806383.db2.gz BIVJKOSQOAOBBB-UHFFFAOYSA-N 2 0 284.338 2.800 20 30 CFEDRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000404145533 380900140 /nfs/dbraw/zinc/90/01/40/380900140.db2.gz OGSMVNCGUKOABQ-UHFFFAOYSA-N 2 0 275.371 2.519 20 30 CFEDRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000181875207 380923110 /nfs/dbraw/zinc/92/31/10/380923110.db2.gz RSZVKTJLMZENIT-PBHICJAKSA-N 2 0 289.423 2.566 20 30 CFEDRP C=CCOCCC[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000347971556 381438987 /nfs/dbraw/zinc/43/89/87/381438987.db2.gz NUYBHWLZEGXWHY-UHFFFAOYSA-N 2 0 268.445 2.633 20 30 CFEDRP C=CCC[C@H](C)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000185206950 381564566 /nfs/dbraw/zinc/56/45/66/381564566.db2.gz SAKFEGJEVSCZAY-ARFHVFGLSA-N 2 0 268.445 2.820 20 30 CFEDRP C=CC[NH+](CC=C)[C@H](CN[C@H]1CC[N@H+](C)C[C@@H]1C)C(C)C ZINC000360036991 381744083 /nfs/dbraw/zinc/74/40/83/381744083.db2.gz ICEACAKMFIDFCI-OKZBNKHCSA-N 2 0 293.499 2.615 20 30 CFEDRP CN1CC[C@@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)[C@@H]1c1cccnc1 ZINC000373203370 381946815 /nfs/dbraw/zinc/94/68/15/381946815.db2.gz FVNNQTOJNSRZCR-UBDQQSCGSA-N 2 0 298.434 2.746 20 30 CFEDRP C=C(C)CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000351731833 382058675 /nfs/dbraw/zinc/05/86/75/382058675.db2.gz XBAPLTHMUMYKNP-UHFFFAOYSA-N 2 0 280.456 2.777 20 30 CFEDRP C=CCOCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364352145 382313532 /nfs/dbraw/zinc/31/35/32/382313532.db2.gz IYQXDWXBJRTVAE-SJLPKXTDSA-N 2 0 288.435 2.689 20 30 CFEDRP CC1CCN(C(=[NH2+])NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000303358400 382356782 /nfs/dbraw/zinc/35/67/82/382356782.db2.gz AJVHLBUXRGQAPR-NVXWUHKLSA-N 2 0 294.487 2.544 20 30 CFEDRP C=CC[C@H](C)[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000358043069 382425160 /nfs/dbraw/zinc/42/51/60/382425160.db2.gz GVBOFVMFCRDREN-PMPSAXMXSA-N 2 0 268.445 2.678 20 30 CFEDRP N#Cc1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c(F)c1 ZINC000365550884 382410362 /nfs/dbraw/zinc/41/03/62/382410362.db2.gz VKBYLLASXRHZGF-JFIYKMOQSA-N 2 0 299.393 2.613 20 30 CFEDRP C=CCC[C@H](CO)[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000320646660 382538841 /nfs/dbraw/zinc/53/88/41/382538841.db2.gz OCIMNWXFBQOGFJ-NXHRZFHOSA-N 2 0 288.435 2.566 20 30 CFEDRP C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000189086837 382539427 /nfs/dbraw/zinc/53/94/27/382539427.db2.gz KBNWOZUEBRWMPR-GOEBONIOSA-N 2 0 271.408 2.893 20 30 CFEDRP C=CCOc1ccccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346859992 382548427 /nfs/dbraw/zinc/54/84/27/382548427.db2.gz ZUIWNMOXIBYOSW-UAGQMJEPSA-N 2 0 286.419 2.811 20 30 CFEDRP C=C[C@H](C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000358304319 382557861 /nfs/dbraw/zinc/55/78/61/382557861.db2.gz RRHHFPXZRAVCQM-KBPBESRZSA-N 2 0 262.397 2.852 20 30 CFEDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000358308615 382560858 /nfs/dbraw/zinc/56/08/58/382560858.db2.gz KAJNRWDXDAYFGX-BFQNTYOBSA-N 2 0 275.371 2.516 20 30 CFEDRP C=CCC[C@H](O)C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367309828 382564583 /nfs/dbraw/zinc/56/45/83/382564583.db2.gz KZRYUPLAYUZUMN-WBVHZDCISA-N 2 0 292.467 2.510 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]CC2CCC(C#N)CC2)[C@@H]2CCC[C@H]21 ZINC000367614748 382577841 /nfs/dbraw/zinc/57/78/41/382577841.db2.gz IELNFSUXVZNDRM-LMNGEROHSA-N 2 0 275.440 2.779 20 30 CFEDRP CC#CC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000189950299 382646813 /nfs/dbraw/zinc/64/68/13/382646813.db2.gz WYSANOGXDNKWRX-HZPDHXFCSA-N 2 0 270.420 2.756 20 30 CFEDRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(C#N)n(C)c2)c1 ZINC000190955788 382686320 /nfs/dbraw/zinc/68/63/20/382686320.db2.gz MJJAXZLOJIXACR-UHFFFAOYSA-N 2 0 296.418 2.638 20 30 CFEDRP N#C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000192700069 382711357 /nfs/dbraw/zinc/71/13/57/382711357.db2.gz XAXHKRCRWGEROP-ZBFHGGJFSA-N 2 0 261.413 2.533 20 30 CFEDRP C=CCCCCC[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000193345295 382718940 /nfs/dbraw/zinc/71/89/40/382718940.db2.gz JFXGSMXFVGKTMK-KRWDZBQOSA-N 2 0 280.456 2.777 20 30 CFEDRP C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000578263647 382905780 /nfs/dbraw/zinc/90/57/80/382905780.db2.gz OQEMKDQYCKDVIP-CJNGLKHVSA-N 2 0 280.375 2.842 20 30 CFEDRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[C@H](C#N)C2)c1 ZINC000442712596 382947733 /nfs/dbraw/zinc/94/77/33/382947733.db2.gz UZJVALKBNYRANP-BBRMVZONSA-N 2 0 257.381 2.530 20 30 CFEDRP C[C@@H](CCC[NH3+])[NH2+]CCSCc1ccccc1C#N ZINC000422985039 382996527 /nfs/dbraw/zinc/99/65/27/382996527.db2.gz BVBRDQXJWQAUPS-ZDUSSCGKSA-N 2 0 277.437 2.508 20 30 CFEDRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCSCc1ccccc1C#N ZINC000422986128 382997421 /nfs/dbraw/zinc/99/74/21/382997421.db2.gz GJPMXTGCZONXCI-QWHCGFSZSA-N 2 0 277.437 2.507 20 30 CFEDRP CC[NH+](CC)CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449222930 383185219 /nfs/dbraw/zinc/18/52/19/383185219.db2.gz XAYZAJGGGVVJJP-UHFFFAOYSA-N 2 0 251.418 2.780 20 30 CFEDRP C=CCCCC[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000449302175 383208420 /nfs/dbraw/zinc/20/84/20/383208420.db2.gz JKODMOAXMGBLEL-INIZCTEOSA-N 2 0 281.488 2.737 20 30 CFEDRP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)C[NH+]1CCCCC1 ZINC000248899435 383305228 /nfs/dbraw/zinc/30/52/28/383305228.db2.gz UHEBXRXEWBCSMS-BZUAXINKSA-N 2 0 263.429 2.780 20 30 CFEDRP C=CCC[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449698406 383361580 /nfs/dbraw/zinc/36/15/80/383361580.db2.gz NJAMZLXIOFDJIQ-KBAYOESNSA-N 2 0 294.483 2.946 20 30 CFEDRP C=CC[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471842827 383380018 /nfs/dbraw/zinc/38/00/18/383380018.db2.gz DKUUOEKKUWWCFN-DLBZAZTESA-N 2 0 258.409 2.845 20 30 CFEDRP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000252657736 383424543 /nfs/dbraw/zinc/42/45/43/383424543.db2.gz GKXCEKGOZAWNOB-GVDBMIGSSA-N 2 0 269.392 2.569 20 30 CFEDRP CC#CCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000680883083 542377900 /nfs/dbraw/zinc/37/79/00/542377900.db2.gz WZGFWGCJDXSNTP-UHFFFAOYSA-N 2 0 262.441 2.988 20 30 CFEDRP C#Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000289231445 197270389 /nfs/dbraw/zinc/27/03/89/197270389.db2.gz KFSBKEVOZYYROR-ZWKOTPCHSA-N 2 0 268.404 2.584 20 30 CFEDRP C#Cc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000289102695 197235370 /nfs/dbraw/zinc/23/53/70/197235370.db2.gz MFMHCCRFOIZRKA-UHFFFAOYSA-N 2 0 270.420 2.832 20 30 CFEDRP C[C@@H](CC[NH+](C)C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271927892 385403321 /nfs/dbraw/zinc/40/33/21/385403321.db2.gz HAJTVPZYCRPWET-RYUDHWBXSA-N 2 0 263.360 2.688 20 30 CFEDRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000271980029 385418032 /nfs/dbraw/zinc/41/80/32/385418032.db2.gz YNNMQATZZOTOIN-QWHCGFSZSA-N 2 0 287.382 2.832 20 30 CFEDRP COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1C#N ZINC000281604539 195305777 /nfs/dbraw/zinc/30/57/77/195305777.db2.gz GDNBLKGWXCWVRE-ALOPSCKCSA-N 2 0 299.418 2.672 20 30 CFEDRP C=CCCCCC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000373904859 393475551 /nfs/dbraw/zinc/47/55/51/393475551.db2.gz JHHISNWDJZZATR-SFHVURJKSA-N 2 0 293.499 2.833 20 30 CFEDRP CCCCCCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374318186 393492401 /nfs/dbraw/zinc/49/24/01/393492401.db2.gz PQSZCVUYBOMIST-ROUUACIJSA-N 2 0 295.515 2.915 20 30 CFEDRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000044515579 393565538 /nfs/dbraw/zinc/56/55/38/393565538.db2.gz WPNSTGDOHMIXHT-ZDUSSCGKSA-N 2 0 257.381 2.551 20 30 CFEDRP N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000338999089 393808505 /nfs/dbraw/zinc/80/85/05/393808505.db2.gz BCRVKQXMAQOWHJ-PMPSAXMXSA-N 2 0 261.413 2.629 20 30 CFEDRP C[NH+](C)CC1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000426999989 393891328 /nfs/dbraw/zinc/89/13/28/393891328.db2.gz NDCNMDSLXHPLNR-UHFFFAOYSA-N 2 0 290.838 2.965 20 30 CFEDRP CC#CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476991032 393963003 /nfs/dbraw/zinc/96/30/03/393963003.db2.gz YHDLXHIPVCIRGJ-INIZCTEOSA-N 2 0 262.441 2.986 20 30 CFEDRP C=CCOc1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647499119 395363667 /nfs/dbraw/zinc/36/36/67/395363667.db2.gz ZVFBUGFSQITCIQ-HOCLYGCPSA-N 2 0 274.408 2.811 20 30 CFEDRP C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650753118 397882977 /nfs/dbraw/zinc/88/29/77/397882977.db2.gz HAZYZFIBZVKMLC-NEPJUHHUSA-N 2 0 250.361 2.975 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@H]2CCC[C@H]21 ZINC000375792133 157286162 /nfs/dbraw/zinc/28/61/62/157286162.db2.gz PSOSDUNDIVBJMO-IXDOHACOSA-N 2 0 269.392 2.521 20 30 CFEDRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2nc(C#N)cs2)C1 ZINC000352830327 163245759 /nfs/dbraw/zinc/24/57/59/163245759.db2.gz AAQPJYHQDBCGLV-ZDUSSCGKSA-N 2 0 292.452 2.616 20 30 CFEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000651713827 413584843 /nfs/dbraw/zinc/58/48/43/413584843.db2.gz GLVDKMIMVFYSPZ-BRWVUGGUSA-N 2 0 280.456 2.558 20 30 CFEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000657881577 414024329 /nfs/dbraw/zinc/02/43/29/414024329.db2.gz UBFIISJLQZFGGS-FGTMMUONSA-N 2 0 294.483 2.948 20 30 CFEDRP C#CCCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285670890 196360944 /nfs/dbraw/zinc/36/09/44/196360944.db2.gz UFGXZXDJOPYFIR-LJQANCHMSA-N 2 0 282.431 2.998 20 30 CFEDRP C#CCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285688038 196367213 /nfs/dbraw/zinc/36/72/13/196367213.db2.gz VENGKNNGXLDJEG-SFHVURJKSA-N 2 0 268.404 2.608 20 30 CFEDRP C=CCC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000658117719 414216116 /nfs/dbraw/zinc/21/61/16/414216116.db2.gz ZOPGEPGXXCKPAJ-AWEZNQCLSA-N 2 0 262.397 2.854 20 30 CFEDRP C=CCCCCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662323139 414506916 /nfs/dbraw/zinc/50/69/16/414506916.db2.gz LNIMGSHDSAZENV-INIZCTEOSA-N 2 0 268.445 2.775 20 30 CFEDRP C=CCC[C@H](NC[C@@H](O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC000660199102 414679827 /nfs/dbraw/zinc/67/98/27/414679827.db2.gz CQEGUPXDJBVILU-MSOLQXFVSA-N 2 0 290.451 2.985 20 30 CFEDRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000044516834 175190643 /nfs/dbraw/zinc/19/06/43/175190643.db2.gz JYKIWNPOCXZCGT-ZDUSSCGKSA-N 2 0 257.381 2.551 20 30 CFEDRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(OCC#N)cc1 ZINC000037229418 260075966 /nfs/dbraw/zinc/07/59/66/260075966.db2.gz VJNWPLUMPUYCSU-OAHLLOKOSA-N 2 0 287.407 2.725 20 30 CFEDRP C=CCCCC[C@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000449130163 260236458 /nfs/dbraw/zinc/23/64/58/260236458.db2.gz FTZZMXUGRZIMIY-IRXDYDNUSA-N 2 0 281.488 2.594 20 30 CFEDRP C=CCCCC[C@@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000449130078 260236498 /nfs/dbraw/zinc/23/64/98/260236498.db2.gz FTZZMXUGRZIMIY-DLBZAZTESA-N 2 0 281.488 2.594 20 30 CFEDRP C[N@H+](CCCC(C)(C)C#N)C[C@H]1CCC[NH+](C)C1 ZINC000174864943 261201106 /nfs/dbraw/zinc/20/11/06/261201106.db2.gz ZAWDJMRBTNZNQS-AWEZNQCLSA-N 2 0 251.418 2.590 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(C)(C)C#N)[C@@H](C)C1 ZINC000336730771 262385796 /nfs/dbraw/zinc/38/57/96/262385796.db2.gz QJJDSBVWGZCSOL-KBPBESRZSA-N 2 0 251.418 2.588 20 30 CFEDRP C[N@H+](CCCCC(C)(C)C#N)CCCn1ccnc1 ZINC000277578557 263042147 /nfs/dbraw/zinc/04/21/47/263042147.db2.gz CAPSEOGYFWOFBG-UHFFFAOYSA-N 2 0 262.401 2.925 20 30 CFEDRP CC[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[NH+]1CCCC1 ZINC000288787996 263105969 /nfs/dbraw/zinc/10/59/69/263105969.db2.gz XHJXHVSNCWJXGN-LBPRGKRZSA-N 2 0 296.365 2.566 20 30 CFEDRP C=CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414926912 263132267 /nfs/dbraw/zinc/13/22/67/263132267.db2.gz OFAKBLXKBWMNDF-HUUCEWRRSA-N 2 0 260.381 2.611 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000414971032 263172399 /nfs/dbraw/zinc/17/23/99/263172399.db2.gz LCOALDZBNJYPJJ-INIZCTEOSA-N 2 0 274.408 2.729 20 30 CFEDRP C=CCOc1cccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)c1 ZINC000414977290 263177568 /nfs/dbraw/zinc/17/75/68/263177568.db2.gz REJUFGGQXIEJSY-INIZCTEOSA-N 2 0 274.408 2.729 20 30 CFEDRP C=CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000453307952 263226619 /nfs/dbraw/zinc/22/66/19/263226619.db2.gz MIKORBMFMATAIQ-HZPDHXFCSA-N 2 0 282.472 2.925 20 30 CFEDRP C=CC[C@H](CO)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000341876606 263360865 /nfs/dbraw/zinc/36/08/65/263360865.db2.gz NOKIJPTWPALRCO-HNNXBMFYSA-N 2 0 280.456 2.558 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CCC#N)[C@H]2CCC[C@@H]21 ZINC000367904951 267126564 /nfs/dbraw/zinc/12/65/64/267126564.db2.gz SMUOQMMDMKMENM-ILXRZTDVSA-N 2 0 263.429 2.779 20 30 CFEDRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000336487518 273868296 /nfs/dbraw/zinc/86/82/96/273868296.db2.gz VYWPCYZKGGFUGR-KRWDZBQOSA-N 2 0 283.419 2.867 20 30 CFEDRP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423210414 288060253 /nfs/dbraw/zinc/06/02/53/288060253.db2.gz GETNAJYWDIPAAR-XKQJLSEDSA-N 2 0 271.408 2.987 20 30 CFEDRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1cccc(C#N)c1 ZINC000423270548 279533691 /nfs/dbraw/zinc/53/36/91/279533691.db2.gz GQVDZMJVMUYSGZ-MAZHCROVSA-N 2 0 257.381 2.726 20 30 CFEDRP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccncc2C)CC1 ZINC000121550276 328375372 /nfs/dbraw/zinc/37/53/72/328375372.db2.gz LNLWHAIHSIKAOA-UHFFFAOYSA-N 2 0 288.395 2.552 20 30 CFEDRP C[NH+]1CCC(CC[NH2+]CC(C)(C)CCC#N)CC1 ZINC000135175702 327504641 /nfs/dbraw/zinc/50/46/41/327504641.db2.gz MHPGWHCGNCFILW-UHFFFAOYSA-N 2 0 251.418 2.638 20 30 CFEDRP C=CCC[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000377369087 329012892 /nfs/dbraw/zinc/01/28/92/329012892.db2.gz NFHFIBBJJVQKLD-HOTGVXAUSA-N 2 0 259.397 2.582 20 30 CFEDRP C#CCC[NH+]1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000378321685 329045940 /nfs/dbraw/zinc/04/59/40/329045940.db2.gz BHMFSGSRRWKMFF-SFHVURJKSA-N 2 0 270.420 2.996 20 30 CFEDRP CCCCCCC[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000177026262 329178268 /nfs/dbraw/zinc/17/82/68/329178268.db2.gz JQQYSFKIMOBWIN-KRWDZBQOSA-N 2 0 281.488 2.669 20 30 CFEDRP CCCCCCC[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000177026281 329178445 /nfs/dbraw/zinc/17/84/45/329178445.db2.gz JQQYSFKIMOBWIN-QGZVFWFLSA-N 2 0 281.488 2.669 20 30 CFEDRP C[NH+](C)CC1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CCCC1 ZINC000185899630 329334703 /nfs/dbraw/zinc/33/47/03/329334703.db2.gz DOKYHCGAAQZHAU-CABCVRRESA-N 2 0 263.429 2.780 20 30 CFEDRP C[C@H](CC[NH2+][C@@H]1CCC[C@H](C#N)C1)[NH+]1CCCCC1 ZINC000185897912 329334719 /nfs/dbraw/zinc/33/47/19/329334719.db2.gz KZMWCLFREZXVLM-OWCLPIDISA-N 2 0 263.429 2.923 20 30 CFEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423099774 330170118 /nfs/dbraw/zinc/17/01/18/330170118.db2.gz UHBLZHQWXMCWIZ-YYQUZTFQSA-N 2 0 272.392 2.702 20 30 CFEDRP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423191925 330176046 /nfs/dbraw/zinc/17/60/46/330176046.db2.gz UECAPMBLPXOMHK-USXIJHARSA-N 2 0 258.409 2.904 20 30 CFEDRP C[NH+](C)Cc1cc(C[NH2+][C@H]2CC[C@@H](C#N)C2)ccc1F ZINC000442771891 330781845 /nfs/dbraw/zinc/78/18/45/330781845.db2.gz UYAOYKIWURSRJI-DOMZBBRYSA-N 2 0 275.371 2.669 20 30 CFEDRP CCC[NH+](CCC)CCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442780979 330782561 /nfs/dbraw/zinc/78/25/61/330782561.db2.gz OTCYUWUCSLDIRU-GJZGRUSLSA-N 2 0 251.418 2.780 20 30 CFEDRP C=CC(C)(C)C[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000453307949 331114267 /nfs/dbraw/zinc/11/42/67/331114267.db2.gz MIKORBMFMATAIQ-CVEARBPZSA-N 2 0 282.472 2.925 20 30 CFEDRP C[NH+](C)CC1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000234214842 333358828 /nfs/dbraw/zinc/35/88/28/333358828.db2.gz QDBYJLCVEXETJM-UHFFFAOYSA-N 2 0 265.445 2.980 20 30 CFEDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000175012257 335171188 /nfs/dbraw/zinc/17/11/88/335171188.db2.gz GRXXAWWBSLBVGL-UONOGXRCSA-N 2 0 251.418 2.779 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000134412795 334089884 /nfs/dbraw/zinc/08/98/84/334089884.db2.gz OWTZIRJOICMHQQ-YOEHRIQHSA-N 2 0 274.408 2.681 20 30 CFEDRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(C#N)c1 ZINC000157385379 525620639 /nfs/dbraw/zinc/62/06/39/525620639.db2.gz FSYAOQUIVDKIPE-RRQGHBQHSA-N 2 0 269.392 2.836 20 30 CFEDRP C=CCOc1cccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000347197898 526898507 /nfs/dbraw/zinc/89/85/07/526898507.db2.gz IGXMXOOBSDWAHR-GOEBONIOSA-N 2 0 274.408 2.811 20 30 CFEDRP CC[C@@H]([NH2+]CCc1cccc(C#N)c1)[C@H]1CCCC[NH2+]1 ZINC000423112024 529169943 /nfs/dbraw/zinc/16/99/43/529169943.db2.gz XDWJDXNAZQJOKU-IAGOWNOFSA-N 2 0 271.408 2.611 20 30 CFEDRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000925608163 618300961 /nfs/dbraw/zinc/30/09/61/618300961.db2.gz ZVMZIGBEVOXDIB-GJZGRUSLSA-N 2 0 257.381 2.554 20 30 CFEDRP C=CCOCCC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926702539 618454236 /nfs/dbraw/zinc/45/42/36/618454236.db2.gz IOGKWDVYJSRNQL-OAHLLOKOSA-N 2 0 276.424 2.992 20 30 CFEDRP C(#Cc1ccccc1)C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000895473909 618602611 /nfs/dbraw/zinc/60/26/11/618602611.db2.gz QUHHZNLQNQPVKW-UHFFFAOYSA-N 2 0 282.431 2.750 20 30 CFEDRP C=CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC000892972732 618788051 /nfs/dbraw/zinc/78/80/51/618788051.db2.gz LFOVUTOKXLULJX-NPYXIHBLSA-N 2 0 271.408 2.914 20 30 CFEDRP CC(C)(CC#N)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925690999 618935293 /nfs/dbraw/zinc/93/52/93/618935293.db2.gz HVYRNQCPUQIKAJ-HNNXBMFYSA-N 2 0 259.397 2.996 20 30 CFEDRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000925797478 619119590 /nfs/dbraw/zinc/11/95/90/619119590.db2.gz OLXIKUJUNAIBKO-LALPHHSUSA-N 2 0 275.371 2.594 20 30 CFEDRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1C#N ZINC000925837337 619168803 /nfs/dbraw/zinc/16/88/03/619168803.db2.gz GDFGZURUSTXNLB-KZNAEPCWSA-N 2 0 283.419 2.877 20 30 CFEDRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1C#N ZINC000902402812 621068141 /nfs/dbraw/zinc/06/81/41/621068141.db2.gz FBYAJVTVKCGRKA-MRXNPFEDSA-N 2 0 271.408 2.735 20 30 CFEDRP CCCCCCCC[C@H](CO)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000902453971 621093101 /nfs/dbraw/zinc/09/31/01/621093101.db2.gz GOAGPKVFZVLQMN-HRCADAONSA-N 2 0 270.461 2.957 20 30 CFEDRP CC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000902794109 621178494 /nfs/dbraw/zinc/17/84/94/621178494.db2.gz SXMROEZTKOTZOW-KRWDZBQOSA-N 2 0 271.408 2.941 20 30 CFEDRP Cc1nccn1CCCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902817929 621181037 /nfs/dbraw/zinc/18/10/37/621181037.db2.gz GNEWXHJPWBIDCG-CYBMUJFWSA-N 2 0 283.379 2.589 20 30 CFEDRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902821480 621181987 /nfs/dbraw/zinc/18/19/87/621181987.db2.gz ZDRFVSXQQJGSER-AWEZNQCLSA-N 2 0 286.423 2.726 20 30 CFEDRP N#CC1CCC(C[NH+]2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000903425262 621370220 /nfs/dbraw/zinc/37/02/20/621370220.db2.gz YVXWLVFUFNSAAN-UHFFFAOYSA-N 2 0 275.440 2.780 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000903458612 621380108 /nfs/dbraw/zinc/38/01/08/621380108.db2.gz FOHBNNDXWMKXBS-BLLLJJGKSA-N 2 0 271.408 2.592 20 30 CFEDRP N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000903450313 621386053 /nfs/dbraw/zinc/38/60/53/621386053.db2.gz UCISFRVOQOFXOI-GFCCVEGCSA-N 2 0 277.799 2.772 20 30 CFEDRP N#CC1(CCCC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCC1 ZINC000903744951 621435742 /nfs/dbraw/zinc/43/57/42/621435742.db2.gz ZXJVWGMJTLCEBB-ARFHVFGLSA-N 2 0 275.440 2.910 20 30 CFEDRP C[N@H+](CCc1cccc(C#N)c1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903937383 621477876 /nfs/dbraw/zinc/47/78/76/621477876.db2.gz JWUOFOHIQCMBHF-AYHJJNSGSA-N 2 0 283.419 2.563 20 30 CFEDRP C=CCOc1ccc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903973568 621492448 /nfs/dbraw/zinc/49/24/48/621492448.db2.gz GXEVNCZXBUXYPF-GDBMZVCRSA-N 2 0 274.408 2.587 20 30 CFEDRP CCCCCCCC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000911725189 622541598 /nfs/dbraw/zinc/54/15/98/622541598.db2.gz JJQPWZQKIBHOEY-OAGGEKHMSA-N 2 0 297.487 2.569 20 30 CFEDRP C#CCN(C)CCC[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000820846316 622773253 /nfs/dbraw/zinc/77/32/53/622773253.db2.gz DCBKPAAGNMWUPN-CQSZACIVSA-N 2 0 278.827 2.988 20 30 CFEDRP N#Cc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000063197568 623332313 /nfs/dbraw/zinc/33/23/13/623332313.db2.gz LOUKMMHKTONFDJ-QGZVFWFLSA-N 2 0 269.392 2.522 20 30 CFEDRP C[C@H](C#N)Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000824988974 623601107 /nfs/dbraw/zinc/60/11/07/623601107.db2.gz WFRZTWOXHZGLPT-HZTRTUMWSA-N 2 0 299.418 2.692 20 30 CFEDRP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000237595619 624965077 /nfs/dbraw/zinc/96/50/77/624965077.db2.gz FXXRFETUDCQDRG-ZBFHGGJFSA-N 2 0 299.418 2.551 20 30 CFEDRP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000237596838 624965186 /nfs/dbraw/zinc/96/51/86/624965186.db2.gz FXXRFETUDCQDRG-GDBMZVCRSA-N 2 0 299.418 2.551 20 30 CFEDRP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000834887977 625910568 /nfs/dbraw/zinc/91/05/68/625910568.db2.gz BFIUJHOLTBNDDR-QRVBRYPASA-N 2 0 298.430 2.661 20 30 CFEDRP CC[NH+]1CCC(CC[NH2+]Cc2csc(C#N)c2)CC1 ZINC000921784211 626121946 /nfs/dbraw/zinc/12/19/46/626121946.db2.gz NSLVQXOGQXGCPE-UHFFFAOYSA-N 2 0 277.437 2.831 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000921969522 626188382 /nfs/dbraw/zinc/18/83/82/626188382.db2.gz XKBWXCYBNSWYFJ-UHFFFAOYSA-N 2 0 269.392 2.527 20 30 CFEDRP N#Cc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c(C(F)(F)F)c1 ZINC000923480216 626475979 /nfs/dbraw/zinc/47/59/79/626475979.db2.gz GGSGLZFOBPLMMP-LLVKDONJSA-N 2 0 297.324 2.748 20 30 CFEDRP C[C@@H]1C[N@H+](Cc2cc(Cl)cc(C#N)c2)CC[C@H]1C[NH3+] ZINC000923491955 626476673 /nfs/dbraw/zinc/47/66/73/626476673.db2.gz KVWYJTFHWZOYRT-RISCZKNCSA-N 2 0 277.799 2.628 20 30 CFEDRP C[C@@H]1C[N@H+](Cc2cc(Cl)cc(C#N)c2)CC[C@@H]1C[NH3+] ZINC000923491952 626476698 /nfs/dbraw/zinc/47/66/98/626476698.db2.gz KVWYJTFHWZOYRT-BXUZGUMPSA-N 2 0 277.799 2.628 20 30 CFEDRP C#CCCCC[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000758497314 626596091 /nfs/dbraw/zinc/59/60/91/626596091.db2.gz ODSMALLEPJKQNF-UHFFFAOYSA-N 2 0 274.408 2.520 20 30 CFEDRP C#CCC[N@H+](CC)CCCC1CC[NH+](CCC#C)CC1 ZINC000766285301 627191018 /nfs/dbraw/zinc/19/10/18/627191018.db2.gz XAWCKRAGBMMMGA-UHFFFAOYSA-N 2 0 274.452 2.847 20 30 CFEDRP C#CCCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000766905350 627226175 /nfs/dbraw/zinc/22/61/75/627226175.db2.gz GZIOLTBPRCERNO-DLBZAZTESA-N 2 0 262.441 2.986 20 30 CFEDRP C#C[C@@](C)(CC)[NH2+]Cc1cncc(C[NH2+][C@](C)(C#C)CC)c1 ZINC000852103913 634658945 /nfs/dbraw/zinc/65/89/45/634658945.db2.gz VIPUMYFVJJDJJB-KDURUIRLSA-N 2 0 297.446 2.865 20 30 CFEDRP C[NH+]1CCN(c2ccc(C=[NH+]OC/C=C\Cl)cc2)CC1 ZINC000811669848 631603951 /nfs/dbraw/zinc/60/39/51/631603951.db2.gz KFFFSVNYLJGMRM-FQDKZAGOSA-N 2 0 293.798 2.541 20 30 CFEDRP C=CCOc1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1OC ZINC000843105421 631836786 /nfs/dbraw/zinc/83/67/86/631836786.db2.gz DQHDZBIQWMQHCT-UHFFFAOYSA-N 2 0 290.407 2.620 20 30 CFEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000817919991 632734378 /nfs/dbraw/zinc/73/43/78/632734378.db2.gz YCCMBUXORGKEFV-UXLLHSPISA-N 2 0 287.407 2.585 20 30 CFEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000817919989 632734647 /nfs/dbraw/zinc/73/46/47/632734647.db2.gz YCCMBUXORGKEFV-BFYDXBDKSA-N 2 0 287.407 2.585 20 30 CFEDRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(OCC#N)cc1 ZINC000817969351 632768745 /nfs/dbraw/zinc/76/87/45/632768745.db2.gz CASGEMCUTMUPOB-CFVMTHIKSA-N 2 0 273.380 2.509 20 30 CFEDRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(OCC#N)cc1 ZINC000848558733 633289281 /nfs/dbraw/zinc/28/92/81/633289281.db2.gz RJOYHDWCCMNPFS-OFQRWUPVSA-N 2 0 287.407 2.580 20 30 CFEDRP CCCCCCCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000849056570 633481770 /nfs/dbraw/zinc/48/17/70/633481770.db2.gz QXGAZVQWPSGOMY-OAHLLOKOSA-N 2 0 282.476 2.945 20 30 CFEDRP C[C@@H]1CCC[C@](CNC(=[NH2+])NC2CCCCC2)([NH+](C)C)C1 ZINC000203056311 637379384 /nfs/dbraw/zinc/37/93/84/637379384.db2.gz MCPYXUUAMIVSOH-PBHICJAKSA-N 2 0 294.487 2.734 20 30 CFEDRP C[C@H](c1ccc(C#N)cc1)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866584411 638849166 /nfs/dbraw/zinc/84/91/66/638849166.db2.gz IGVKJFHACGGQCJ-COXVUDFISA-N 2 0 269.392 2.645 20 30 CFEDRP C#C[C@H]1CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000872140520 641667885 /nfs/dbraw/zinc/66/78/85/641667885.db2.gz PVFRGOOQRHRTCL-KOMQPUFPSA-N 2 0 260.425 2.642 20 30 CFEDRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000873276532 642115467 /nfs/dbraw/zinc/11/54/67/642115467.db2.gz UVGRBQDVWGVPGH-MDASCCDHSA-N 2 0 297.446 2.926 20 30 CFEDRP C#CCCCCCC[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000876721825 642983727 /nfs/dbraw/zinc/98/37/27/642983727.db2.gz UMBNNNHCSHPQMI-UHFFFAOYSA-N 2 0 280.456 2.613 20 30 CFEDRP C#CCCCCCC[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000876783156 643007358 /nfs/dbraw/zinc/00/73/58/643007358.db2.gz VLEONPIBROAPHE-INIZCTEOSA-N 2 0 250.430 2.844 20 30 CFEDRP C#CCCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000876812305 643021113 /nfs/dbraw/zinc/02/11/13/643021113.db2.gz KRHWOISPLJYQAX-IAGOWNOFSA-N 2 0 262.441 2.986 20 30 CFEDRP C#CCCCCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000877551914 643351765 /nfs/dbraw/zinc/35/17/65/643351765.db2.gz OCFDPWFTGOBDEP-KRWDZBQOSA-N 2 0 262.441 2.988 20 30 CFEDRP C#CCCCCCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000877642602 643426946 /nfs/dbraw/zinc/42/69/46/643426946.db2.gz OFKMKIJTRGWSNA-KRWDZBQOSA-N 2 0 280.456 2.613 20 30 CFEDRP COCC[N@H+](CC1CC[NH+](C)CC1)CC(C)(C)CCC#N ZINC000877665431 643441308 /nfs/dbraw/zinc/44/13/08/643441308.db2.gz VEMLVGQIXVCGMR-UHFFFAOYSA-N 2 0 295.471 2.607 20 30 CFEDRP C[NH+]1CCC2(CC1)CC[NH+](CC#Cc1ccccc1)CC2 ZINC000879249945 644195001 /nfs/dbraw/zinc/19/50/01/644195001.db2.gz HDOKLDVCSHMBDA-UHFFFAOYSA-N 2 0 282.431 2.846 20 30 CFEDRP C#CCCCCC[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258146 644615825 /nfs/dbraw/zinc/61/58/25/644615825.db2.gz DGPCKECBCCGQER-INIZCTEOSA-N 2 0 271.408 2.786 20 30 CFEDRP CCC(CC)[C@@H](CNC(=[NH2+])N[C@H](C)CC)[NH+]1CCCC1 ZINC000303265905 650991925 /nfs/dbraw/zinc/99/19/25/650991925.db2.gz VEUAJSAYHWGSLH-UKRRQHHQSA-N 2 0 282.476 2.590 20 30 CFEDRP CC(C)[C@@H](CNC(=[NH2+])NC(C)(C)C)[NH+]1CCCCCC1 ZINC000303773765 651001624 /nfs/dbraw/zinc/00/16/24/651001624.db2.gz FLRJTGOCMMUYFX-CQSZACIVSA-N 2 0 282.476 2.590 20 30 CFEDRP CCCCCCNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000303780732 651002301 /nfs/dbraw/zinc/00/23/01/651002301.db2.gz LOILQLNXSQFKFN-HNNXBMFYSA-N 2 0 282.476 2.591 20 30 CFEDRP CCCCCCCCNC(=[NH2+])NC[C@H]1CCC[N@H+](C)C1 ZINC000304739631 651031008 /nfs/dbraw/zinc/03/10/08/651031008.db2.gz BIQXZOAYHHPKCO-OAHLLOKOSA-N 2 0 282.476 2.593 20 30 CFEDRP CCCC[N@H+](C)CCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000304750429 651031771 /nfs/dbraw/zinc/03/17/71/651031771.db2.gz IKLNTYWJFFVSOJ-UHFFFAOYSA-N 2 0 276.428 2.762 20 30 CFEDRP C=CCC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCO1 ZINC000883228060 645678012 /nfs/dbraw/zinc/67/80/12/645678012.db2.gz DWQJNCMAQPNEKU-ULQDDVLXSA-N 2 0 280.456 2.822 20 30 CFEDRP C=CCC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@H]1CCCO1 ZINC000883230439 645680026 /nfs/dbraw/zinc/68/00/26/645680026.db2.gz GTJZKJYAEQUHAU-BHUNQDJPSA-N 2 0 280.456 2.963 20 30 CFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(CC)(CC)CC ZINC000305001474 651040915 /nfs/dbraw/zinc/04/09/15/651040915.db2.gz BGRTVUHEPGXHNH-AWEZNQCLSA-N 2 0 282.476 2.591 20 30 CFEDRP CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CCN2CC)c(O)c1 ZINC000887270525 647256910 /nfs/dbraw/zinc/25/69/10/647256910.db2.gz PCIZSIMOUKKLQB-IQFISFIMSA-N 2 0 289.423 2.752 20 30 CFEDRP CCCCCCNC(=[NH2+])NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000104181483 647555726 /nfs/dbraw/zinc/55/57/26/647555726.db2.gz ZRAJLJBJPPNUPQ-OAHLLOKOSA-N 2 0 282.476 2.591 20 30 CFEDRP CSc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1C#N ZINC000925773474 648317712 /nfs/dbraw/zinc/31/77/12/648317712.db2.gz NVNULQLHDDRNSS-DZGCQCFKSA-N 2 0 289.448 2.887 20 30 CFEDRP CSc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1C#N ZINC000925774272 648317967 /nfs/dbraw/zinc/31/79/67/648317967.db2.gz TYTMRMVOOCMNKB-CQSZACIVSA-N 2 0 275.421 2.512 20 30 CFEDRP C=CCCCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925779311 648320449 /nfs/dbraw/zinc/32/04/49/648320449.db2.gz WWQRRCDKGQVBNC-QWHCGFSZSA-N 2 0 260.372 2.956 20 30 CFEDRP C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cccc(C[NH+](C)C)c1 ZINC000926228524 648441970 /nfs/dbraw/zinc/44/19/70/648441970.db2.gz MCVMVUHNYNVYIC-AWEZNQCLSA-N 2 0 294.402 2.866 20 30 CFEDRP C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931439570 649428049 /nfs/dbraw/zinc/42/80/49/649428049.db2.gz OWHDUKLLFWGRRO-XOKHGSTOSA-N 2 0 269.392 2.503 20 30 CFEDRP C#CCN(C)CCC[NH2+][C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000328172696 775731513 /nfs/dbraw/zinc/73/15/13/775731513.db2.gz KZRJKQOUGBQVRK-SJORKVTESA-N 2 0 292.467 2.659 20 30 CFEDRP CC(C)[NH+]1CCC([NH2+][C@H](C)CC(C)(C)C#N)CC1 ZINC000695856812 776064885 /nfs/dbraw/zinc/06/48/85/776064885.db2.gz AUMGQPKSZFBWAR-CYBMUJFWSA-N 2 0 251.418 2.777 20 30 CFEDRP C#C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232146215 777451612 /nfs/dbraw/zinc/45/16/12/777451612.db2.gz LVOWGTDFHZZYBH-CQSZACIVSA-N 2 0 274.383 2.733 20 30 CFEDRP C[C@@H]1C[C@@H]([NH2+]CCS)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012346 777624742 /nfs/dbraw/zinc/62/47/42/777624742.db2.gz YQOHPRNFJJTHSJ-MIFYACCESA-N 2 0 278.465 2.947 20 30 CFEDRP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001235748459 778552225 /nfs/dbraw/zinc/55/22/25/778552225.db2.gz AAPLAVXPTOVBRV-MRXNPFEDSA-N 2 0 296.439 2.929 20 30 CFEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC001235929473 778613310 /nfs/dbraw/zinc/61/33/10/778613310.db2.gz PWPJUABILYKWJY-IKGGRYGDSA-N 2 0 260.425 2.830 20 30 CFEDRP C=C(C)COc1ccccc1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235943919 778620437 /nfs/dbraw/zinc/62/04/37/778620437.db2.gz ZYIPCWYSHULRPW-NVXWUHKLSA-N 2 0 286.419 2.683 20 30 CFEDRP N#Cc1cc(Cl)ccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320708 778778232 /nfs/dbraw/zinc/77/82/32/778778232.db2.gz BSCYWCVBNCMDQN-OKILXGFUSA-N 2 0 289.810 2.643 20 30 CFEDRP C[N@@H+](Cc1cc(Cl)cc(C#N)c1)CC1CC[NH+](C)CC1 ZINC001237756578 779176714 /nfs/dbraw/zinc/17/67/14/779176714.db2.gz JXUQIYFRXTYENT-UHFFFAOYSA-N 2 0 291.826 2.985 20 30 CFEDRP C=CCCCCCC[N@@H+](CCOC)C1CC[NH2+]CC1 ZINC001235947170 779414479 /nfs/dbraw/zinc/41/44/79/779414479.db2.gz XUQCZQOQOJBGIH-UHFFFAOYSA-N 2 0 268.445 2.823 20 30 CFEDRP CCCCCCCC[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205210778 779917991 /nfs/dbraw/zinc/91/79/91/779917991.db2.gz QOJVYVBNXODBLD-HNNXBMFYSA-N 2 0 256.434 2.523 20 30 CFEDRP N#Cc1cc(-c2ccc(C3([NH3+])CC3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240351714 780102976 /nfs/dbraw/zinc/10/29/76/780102976.db2.gz XFSQLOCZSTVLRK-UHFFFAOYSA-N 2 0 289.382 2.860 20 30 CFEDRP C[NH2+]Cc1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc1 ZINC001240355338 780107014 /nfs/dbraw/zinc/10/70/14/780107014.db2.gz DKOUVUYBDAEGSB-UHFFFAOYSA-N 2 0 277.371 2.631 20 30 CFEDRP C[NH+]1CCC2(CC1)CC[NH+](CCC(C)(C)C#N)CC2 ZINC000709313098 781309180 /nfs/dbraw/zinc/30/91/80/781309180.db2.gz DQGTWSMWRICDGW-UHFFFAOYSA-N 2 0 263.429 2.734 20 30 CFEDRP CC(C)(C#N)c1ccc(CN2CC[NH+]3CCC2CC3)cc1 ZINC000594607411 349460486 /nfs/dbraw/zinc/46/04/86/349460486.db2.gz UKHLOGQPBAPKQM-UHFFFAOYSA-N 2 0 283.419 2.768 20 30 CFEDRP CC[NH+]1CCC([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594920209 349507532 /nfs/dbraw/zinc/50/75/32/349507532.db2.gz STLXCSWVWBQCBT-UHFFFAOYSA-N 2 0 283.419 2.816 20 30 CFEDRP C=CCCSCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000595058314 349569501 /nfs/dbraw/zinc/56/95/01/349569501.db2.gz HHTSMWDVSIQKSZ-UONOGXRCSA-N 2 0 256.459 2.616 20 30 CFEDRP C=CCCSCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000595059105 349570554 /nfs/dbraw/zinc/57/05/54/349570554.db2.gz LBBVENFTYNNOOR-ZDUSSCGKSA-N 2 0 256.459 2.616 20 30 CFEDRP C[NH+](C)CCC1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595295178 349593460 /nfs/dbraw/zinc/59/34/60/349593460.db2.gz HNSCVZSDKLOOOE-UHFFFAOYSA-N 2 0 285.435 2.764 20 30 CFEDRP C=CCC1([NH2+]C2CC[NH+](C(C)C)CC2)CCOCC1 ZINC000668552214 539572659 /nfs/dbraw/zinc/57/26/59/539572659.db2.gz HEOPEPQMJSVOTI-UHFFFAOYSA-N 2 0 266.429 2.574 20 30 CFEDRP CCCN(CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000589350946 348829292 /nfs/dbraw/zinc/82/92/92/348829292.db2.gz CGWOBEFAIGSEBW-QLFBSQMISA-N 2 0 251.418 2.779 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000591578287 349031530 /nfs/dbraw/zinc/03/15/30/349031530.db2.gz MLPCZDMFKPSZNJ-DOTOQJQBSA-N 2 0 269.392 2.667 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000591578290 349032262 /nfs/dbraw/zinc/03/22/62/349032262.db2.gz MLPCZDMFKPSZNJ-WBVHZDCISA-N 2 0 269.392 2.667 20 30 CFEDRP C[C@]1(C#N)CCN(Cc2cc(-n3ccnc3)cs2)C1 ZINC000597232688 350065754 /nfs/dbraw/zinc/06/57/54/350065754.db2.gz VLUWGZKYECGMJY-CQSZACIVSA-N 2 0 272.377 2.669 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000090720513 180030151 /nfs/dbraw/zinc/03/01/51/180030151.db2.gz KXXGQHSCNPEDRQ-HOCLYGCPSA-N 2 0 274.408 2.824 20 30 CFEDRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000599068685 350369672 /nfs/dbraw/zinc/36/96/72/350369672.db2.gz CGVOCBMDJWFANB-CRAIPNDOSA-N 2 0 283.419 2.867 20 30 CFEDRP CN1CCC[C@H]1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000599088699 350373995 /nfs/dbraw/zinc/37/39/95/350373995.db2.gz SPPPBGZFQAXPRE-RDJZCZTQSA-N 2 0 269.392 2.619 20 30 CFEDRP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(C#N)cc1 ZINC000602022812 350835106 /nfs/dbraw/zinc/83/51/06/350835106.db2.gz VPVXQLUZYBQYIR-CZUORRHYSA-N 2 0 271.408 2.987 20 30 CFEDRP C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000602478250 350898145 /nfs/dbraw/zinc/89/81/45/350898145.db2.gz OKLWNEQSWPKHTM-JKSUJKDBSA-N 2 0 263.429 2.877 20 30 CFEDRP CC1CC[NH+](CCC[NH2+]C2CCC(C#N)CC2)CC1 ZINC000602502224 350907185 /nfs/dbraw/zinc/90/71/85/350907185.db2.gz KKKNXOFCUWIWRT-UHFFFAOYSA-N 2 0 263.429 2.780 20 30 CFEDRP C[C@H](CCC#N)C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000602504816 350908155 /nfs/dbraw/zinc/90/81/55/350908155.db2.gz WGDYFZXJMPTUCP-CABCVRRESA-N 2 0 251.418 2.780 20 30 CFEDRP C[C@H](CCC#N)C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000602518778 350911773 /nfs/dbraw/zinc/91/17/73/350911773.db2.gz RWJLUZSCGHTIHW-CABCVRRESA-N 2 0 251.418 2.638 20 30 CFEDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](C)CCC#N)C1 ZINC000602575979 350930904 /nfs/dbraw/zinc/93/09/04/350930904.db2.gz ZNUCXRUIROEDBK-HZPDHXFCSA-N 2 0 265.445 2.884 20 30 CFEDRP C[NH+](C)Cc1cccc(C[NH2+]C2CCC(C#N)CC2)c1 ZINC000602591135 350937978 /nfs/dbraw/zinc/93/79/78/350937978.db2.gz FOFGBGDDRLBSGX-UHFFFAOYSA-N 2 0 271.408 2.920 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](C)CCC#N)[C@H](C)C1 ZINC000602473355 350896113 /nfs/dbraw/zinc/89/61/13/350896113.db2.gz GBKCQXJJOXUFCA-ZNMIVQPWSA-N 2 0 251.418 2.588 20 30 CFEDRP C[C@@H](CCC#N)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000602473225 350896570 /nfs/dbraw/zinc/89/65/70/350896570.db2.gz DCIZCYNGPKJIRC-LSDHHAIUSA-N 2 0 251.418 2.732 20 30 CFEDRP C[C@H](CCC#N)C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000602661048 350965611 /nfs/dbraw/zinc/96/56/11/350965611.db2.gz BRNIZEKJAPZRJG-ZBFHGGJFSA-N 2 0 263.429 2.590 20 30 CFEDRP C[C@@H](CCC#N)C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000602715923 350996292 /nfs/dbraw/zinc/99/62/92/350996292.db2.gz QARKACLAYAJDIB-GOEBONIOSA-N 2 0 263.429 2.638 20 30 CFEDRP C[C@@H](CCC#N)C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000602715807 350996339 /nfs/dbraw/zinc/99/63/39/350996339.db2.gz CSLMWFSGGJJIKB-AWEZNQCLSA-N 2 0 263.429 2.638 20 30 CFEDRP C[C@H](CCC#N)C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000602618916 350949301 /nfs/dbraw/zinc/94/93/01/350949301.db2.gz TVIFASFUUDOOIR-CQSZACIVSA-N 2 0 251.418 2.638 20 30 CFEDRP N#CCC1(CN2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000602777624 351021112 /nfs/dbraw/zinc/02/11/12/351021112.db2.gz HNKANIMSKWYYAS-HNNXBMFYSA-N 2 0 261.413 2.631 20 30 CFEDRP C[NH+]1CCC2(CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000602876798 351055293 /nfs/dbraw/zinc/05/52/93/351055293.db2.gz AUGIXAPEDJOWLZ-UHFFFAOYSA-N 2 0 287.382 2.615 20 30 CFEDRP C[N@H+](CCCC[NH+]1CCCCC1)CCCSCC#N ZINC000603109768 351105313 /nfs/dbraw/zinc/10/53/13/351105313.db2.gz HWWBRQCSVJUDJW-UHFFFAOYSA-N 2 0 283.485 2.831 20 30 CFEDRP CN(CCCC[NH+]1CCCCC1)Cc1ccncc1C#N ZINC000603122387 351106640 /nfs/dbraw/zinc/10/66/40/351106640.db2.gz VXDBESPDPOXESY-UHFFFAOYSA-N 2 0 286.423 2.651 20 30 CFEDRP C=CCC[C@@H](O)C[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062207 354183228 /nfs/dbraw/zinc/18/32/28/354183228.db2.gz LLSVGLIKHNKOEP-GOSISDBHSA-N 2 0 290.451 2.897 20 30 CFEDRP C=C(C)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000119661284 540147230 /nfs/dbraw/zinc/14/72/30/540147230.db2.gz HKLHJUSNBZDVRX-UHFFFAOYSA-N 2 0 274.408 2.827 20 30 CFEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCC[NH3+] ZINC000423327028 283192298 /nfs/dbraw/zinc/19/22/98/283192298.db2.gz MRMODMLODSSLFS-MRXNPFEDSA-N 2 0 257.381 2.654 20 30 CFEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CC2 ZINC000423470374 283197014 /nfs/dbraw/zinc/19/70/14/283197014.db2.gz DHJAULCTKRZFJF-RDJZCZTQSA-N 2 0 269.392 2.667 20 30 CFEDRP N#Cc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423098781 238200575 /nfs/dbraw/zinc/20/05/75/238200575.db2.gz LKVOTEFRFIYCAT-KURKYZTESA-N 2 0 283.419 2.611 20 30 CFEDRP CC[NH+](CC)Cc1ccc(CNC(=[NH2+])NCC(C)C)cc1 ZINC000264070854 383693927 /nfs/dbraw/zinc/69/39/27/383693927.db2.gz GCBOYJIEXKGRRK-UHFFFAOYSA-N 2 0 290.455 2.589 20 30 CFEDRP Cc1nccn1CCCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000264079660 383693534 /nfs/dbraw/zinc/69/35/34/383693534.db2.gz GVALTZPFBCBZEU-UHFFFAOYSA-N 2 0 285.395 2.625 20 30 CFEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2cccc(CC)c2)C1 ZINC000264082302 383694348 /nfs/dbraw/zinc/69/43/48/383694348.db2.gz HUTVBICITDWVOX-OAHLLOKOSA-N 2 0 288.439 2.708 20 30 CFEDRP Cc1ccc(NC(=[NH2+])NCC[NH+]2CCCCC2)cc1C ZINC000264081665 383695128 /nfs/dbraw/zinc/69/51/28/383695128.db2.gz IRKMXXSAPJSEIU-UHFFFAOYSA-N 2 0 274.412 2.516 20 30 CFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000264141478 383700021 /nfs/dbraw/zinc/70/00/21/383700021.db2.gz WRPSRPVTHRPFLG-HNNXBMFYSA-N 2 0 274.412 2.514 20 30 CFEDRP C=C(C)[C@H](CO)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000678049014 541941953 /nfs/dbraw/zinc/94/19/53/541941953.db2.gz AVDKCAFVGWLQGK-KRWDZBQOSA-N 2 0 280.456 2.511 20 30 CFEDRP CC[C@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+](C)C(C)C ZINC000264151078 383701525 /nfs/dbraw/zinc/70/15/25/383701525.db2.gz ZGSYVNMPNUDEQW-AWEZNQCLSA-N 2 0 290.455 2.730 20 30 CFEDRP CC(C)(CCC#N)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093604643 375271911 /nfs/dbraw/zinc/27/19/11/375271911.db2.gz ZFGJSXKQCBZPBZ-HNNXBMFYSA-N 2 0 263.429 2.734 20 30 CFEDRP CC(C)(C)NC(=[NH2+])NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000104155622 375770375 /nfs/dbraw/zinc/77/03/75/375770375.db2.gz JJNKIWUNPWAEDQ-HNNXBMFYSA-N 2 0 288.439 2.526 20 30 CFEDRP C=CCC[C@@H](O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000128975551 377368402 /nfs/dbraw/zinc/36/84/02/377368402.db2.gz ZPALJJFKTKLWEI-RCCFBDPRSA-N 2 0 294.483 2.900 20 30 CFEDRP C=CCC[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000129062880 377379431 /nfs/dbraw/zinc/37/94/31/377379431.db2.gz CLXNPUIQPNRIMY-QZTJIDSGSA-N 2 0 294.483 2.757 20 30 CFEDRP C[N@@H+]1CCC[C@@H]2CN(Cc3cc(C#N)ccc3F)CC[C@@H]21 ZINC000129108916 377386427 /nfs/dbraw/zinc/38/64/27/377386427.db2.gz MEAZMNHYDVKHRE-PBHICJAKSA-N 2 0 287.382 2.613 20 30 CFEDRP C[NH+](C)CCC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000130572252 377577066 /nfs/dbraw/zinc/57/70/66/377577066.db2.gz ATDREZIPSZXHDV-UHFFFAOYSA-N 2 0 277.437 2.783 20 30 CFEDRP CCC#C[C@@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000679537541 542204474 /nfs/dbraw/zinc/20/44/74/542204474.db2.gz SSVUKZGOKUBKDU-QGZVFWFLSA-N 2 0 292.467 2.613 20 30 CFEDRP C=C(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000134370484 378006432 /nfs/dbraw/zinc/00/64/32/378006432.db2.gz LKYARAVWCGDFOZ-IAGOWNOFSA-N 2 0 256.393 2.916 20 30 CFEDRP N#Cc1csc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000152689281 378439435 /nfs/dbraw/zinc/43/94/35/378439435.db2.gz CJPIEENWUFKABS-UHFFFAOYSA-N 2 0 289.448 2.928 20 30 CFEDRP CC1(C#N)CCC([NH2+]Cc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000335062440 379965401 /nfs/dbraw/zinc/96/54/01/379965401.db2.gz KCILGHRWKDNXPB-UHFFFAOYSA-N 2 0 269.392 2.852 20 30 CFEDRP N#C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000335247279 380076425 /nfs/dbraw/zinc/07/64/25/380076425.db2.gz BUSUDWWJEKRUJE-HIFRSBDPSA-N 2 0 261.413 2.675 20 30 CFEDRP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000176942888 380286780 /nfs/dbraw/zinc/28/67/80/380286780.db2.gz NLDHVNACABZKSF-UHFFFAOYSA-N 2 0 285.416 2.971 20 30 CFEDRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000181557942 380827371 /nfs/dbraw/zinc/82/73/71/380827371.db2.gz PBUGHILFYNPJCU-GOEBONIOSA-N 2 0 271.408 2.941 20 30 CFEDRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(C#N)cc1F ZINC000358561123 380927623 /nfs/dbraw/zinc/92/76/23/380927623.db2.gz FVPUUAXCHHIOQD-GFCCVEGCSA-N 2 0 273.355 2.610 20 30 CFEDRP C[N@@H+]1CCC[C@]2(CC[NH+](CC(C)(C)CCC#N)C2)C1 ZINC000354168248 381118340 /nfs/dbraw/zinc/11/83/40/381118340.db2.gz WQNQPZFEAUTWPJ-INIZCTEOSA-N 2 0 263.429 2.734 20 30 CFEDRP C#C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000289630484 381076692 /nfs/dbraw/zinc/07/66/92/381076692.db2.gz WVLOEQKQYQOSQQ-LEUOFYLZSA-N 2 0 268.404 2.508 20 30 CFEDRP C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000354100440 381079396 /nfs/dbraw/zinc/07/93/96/381079396.db2.gz MNWGZSKEVRKGQD-AWEZNQCLSA-N 2 0 289.448 2.783 20 30 CFEDRP COc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1C#N ZINC000368950526 381167792 /nfs/dbraw/zinc/16/77/92/381167792.db2.gz MSHCXXVLGOZWPA-UHFFFAOYSA-N 2 0 299.418 2.627 20 30 CFEDRP C#Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000290068703 381286913 /nfs/dbraw/zinc/28/69/13/381286913.db2.gz PUBLLAPMJHFLTL-MAUKXSAKSA-N 2 0 270.420 2.830 20 30 CFEDRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)[C@H](C)C1 ZINC000348235512 381473434 /nfs/dbraw/zinc/47/34/34/381473434.db2.gz ZUHNGGYKNMSVQT-ZIAGYGMSSA-N 2 0 251.418 2.636 20 30 CFEDRP C=CCC[C@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000185206914 381564848 /nfs/dbraw/zinc/56/48/48/381564848.db2.gz SAKFEGJEVSCZAY-HRCADAONSA-N 2 0 268.445 2.820 20 30 CFEDRP C=CC[C@@H](CO)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000371834025 381708101 /nfs/dbraw/zinc/70/81/01/381708101.db2.gz GMCISZBSGCMJNW-KRWDZBQOSA-N 2 0 280.456 2.558 20 30 CFEDRP C=CC[NH+](C)Cc1cc(C[N@H+](C)CC=C)cc(OC)c1 ZINC000293006070 381947408 /nfs/dbraw/zinc/94/74/08/381947408.db2.gz TYFYYECMMWBXIA-UHFFFAOYSA-N 2 0 274.408 2.931 20 30 CFEDRP CN1CC[C@@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)[C@@H]1c1cccnc1 ZINC000373203361 381948332 /nfs/dbraw/zinc/94/83/32/381948332.db2.gz FVNNQTOJNSRZCR-DKIMLUQUSA-N 2 0 298.434 2.746 20 30 CFEDRP CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccc(C#N)cc1 ZINC000293872115 382316355 /nfs/dbraw/zinc/31/63/55/382316355.db2.gz YGHSAJHSBJQNHQ-CJNGLKHVSA-N 2 0 259.397 2.797 20 30 CFEDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442829833 382960228 /nfs/dbraw/zinc/96/02/28/382960228.db2.gz WIJQVUKPVOAYKV-BZUAXINKSA-N 2 0 263.429 2.636 20 30 CFEDRP N#Cc1ccc(OCC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422988064 382998588 /nfs/dbraw/zinc/99/85/88/382998588.db2.gz IADBCUAVVHPDRJ-MSOLQXFVSA-N 2 0 293.370 2.671 20 30 CFEDRP C=CCOCCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000338965536 383102425 /nfs/dbraw/zinc/10/24/25/383102425.db2.gz GWGHZXIEPBQQBM-KRWDZBQOSA-N 2 0 280.456 2.777 20 30 CFEDRP C=CCCC(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000635024242 383475158 /nfs/dbraw/zinc/47/51/58/383475158.db2.gz UYEZIKFOUSFJKB-BZUAXINKSA-N 2 0 280.456 2.726 20 30 CFEDRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)CC1(C#N)CCC1 ZINC000450647564 383479774 /nfs/dbraw/zinc/47/97/74/383479774.db2.gz XDDIXCWDOXMPCE-UHFFFAOYSA-N 2 0 298.434 2.924 20 30 CFEDRP C=CCC[C@H](O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533794 383820039 /nfs/dbraw/zinc/82/00/39/383820039.db2.gz VDKIOYYXNUYKJK-INIZCTEOSA-N 2 0 268.445 2.511 20 30 CFEDRP C=C(C)CNC(=[NH2+])NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000267467532 384397651 /nfs/dbraw/zinc/39/76/51/384397651.db2.gz WSMDSTZSEWONHU-CQSZACIVSA-N 2 0 288.439 2.596 20 30 CFEDRP C#CCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000271405310 385381890 /nfs/dbraw/zinc/38/18/90/385381890.db2.gz XUXNHBMYYQZZOJ-UHFFFAOYSA-N 2 0 271.408 2.643 20 30 CFEDRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000335600361 393682632 /nfs/dbraw/zinc/68/26/32/393682632.db2.gz LCZXKJUWRFYPNR-IZIZEDOESA-N 2 0 297.446 2.978 20 30 CFEDRP C=CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000338540890 393789812 /nfs/dbraw/zinc/78/98/12/393789812.db2.gz PRMXVNGKYKWBBF-CALCHBBNSA-N 2 0 256.393 2.626 20 30 CFEDRP CC[NH+](CC)CC1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000338912234 393804356 /nfs/dbraw/zinc/80/43/56/393804356.db2.gz OPOKVGPIHBNMOS-CVEARBPZSA-N 2 0 263.429 2.732 20 30 CFEDRP C[N@@H+]1CCC[C@H]1CCN(CCC#N)CC(C)(C)C ZINC000120552947 393936037 /nfs/dbraw/zinc/93/60/37/393936037.db2.gz IXFLZCMDBVZKHV-AWEZNQCLSA-N 2 0 251.418 2.732 20 30 CFEDRP CCCN(CC)C[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000353477518 394031333 /nfs/dbraw/zinc/03/13/33/394031333.db2.gz CGWOBEFAIGSEBW-KKUMJFAQSA-N 2 0 251.418 2.779 20 30 CFEDRP C[NH+](C)C[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000153901041 394294265 /nfs/dbraw/zinc/29/42/65/394294265.db2.gz HGWLBGSVWQAKPL-HNNXBMFYSA-N 2 0 276.811 2.575 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(C#N)cc1F ZINC000423555012 394297381 /nfs/dbraw/zinc/29/73/81/394297381.db2.gz XPTBGDNCUZKDJK-PMOUVXMZSA-N 2 0 287.382 2.736 20 30 CFEDRP C=CCOc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647482972 395355312 /nfs/dbraw/zinc/35/53/12/395355312.db2.gz NQXFARVUILZGFC-UHFFFAOYSA-N 2 0 286.419 2.968 20 30 CFEDRP C=C(CC)C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000648840058 395334501 /nfs/dbraw/zinc/33/45/01/395334501.db2.gz HNKHMJACPUVDDB-UHFFFAOYSA-N 2 0 262.397 2.683 20 30 CFEDRP N#Cc1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1F ZINC000373812084 157033200 /nfs/dbraw/zinc/03/32/00/157033200.db2.gz KEAYAOAUWYYWBQ-SOLBZPMBSA-N 2 0 299.393 2.613 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@@H]2CCC[C@H]21 ZINC000375792136 157286148 /nfs/dbraw/zinc/28/61/48/157286148.db2.gz PSOSDUNDIVBJMO-YESZJQIVSA-N 2 0 269.392 2.521 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]CCc2cccc(C#N)c2)[C@@H]2CCC[C@@H]21 ZINC000375841319 157293999 /nfs/dbraw/zinc/29/39/99/157293999.db2.gz RPZBJVOCUZISLY-BZSNNMDCSA-N 2 0 283.419 2.563 20 30 CFEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000651705583 413583195 /nfs/dbraw/zinc/58/31/95/413583195.db2.gz XXVNEFREIIEWOC-RCCFBDPRSA-N 2 0 293.499 2.594 20 30 CFEDRP C=CCCCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657436786 413604100 /nfs/dbraw/zinc/60/41/00/413604100.db2.gz CMOVHAAIXSOBRK-UHFFFAOYSA-N 2 0 256.353 2.713 20 30 CFEDRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000044517476 175190464 /nfs/dbraw/zinc/19/04/64/175190464.db2.gz SDGWMCOPLIDSCY-CQSZACIVSA-N 2 0 271.408 2.941 20 30 CFEDRP Cc1nccn1CCCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185714310 262067960 /nfs/dbraw/zinc/06/79/60/262067960.db2.gz ONWISQSBPDWGNG-CABCVRRESA-N 2 0 260.385 2.644 20 30 CFEDRP C=CCCCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000373020283 262282624 /nfs/dbraw/zinc/28/26/24/262282624.db2.gz KLCARYJSFBGRKM-IXDOHACOSA-N 2 0 280.456 2.822 20 30 CFEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(C)(C)C#N)[C@@H](C)C1 ZINC000336730772 262385826 /nfs/dbraw/zinc/38/58/26/262385826.db2.gz QJJDSBVWGZCSOL-UONOGXRCSA-N 2 0 251.418 2.588 20 30 CFEDRP C[NH+](C)CCCC1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000340288872 263105330 /nfs/dbraw/zinc/10/53/30/263105330.db2.gz NBUWFTGVZDBKIN-HZPDHXFCSA-N 2 0 263.429 2.732 20 30 CFEDRP C=CCOc1cccc(C[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000415054067 263258882 /nfs/dbraw/zinc/25/88/82/263258882.db2.gz DSZLKEJARGISAV-CQSZACIVSA-N 2 0 262.397 2.859 20 30 CFEDRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423343084 278352617 /nfs/dbraw/zinc/35/26/17/278352617.db2.gz NMKIZNVAKPYBOM-CJNGLKHVSA-N 2 0 257.381 2.599 20 30 CFEDRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(C#N)cc1 ZINC000423545148 288072245 /nfs/dbraw/zinc/07/22/45/288072245.db2.gz OUSBANPMHSGEKQ-XDNAFOTISA-N 2 0 283.419 2.987 20 30 CFEDRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000423537261 279465883 /nfs/dbraw/zinc/46/58/83/279465883.db2.gz JKCYNXMZNWFCLD-ZDUSSCGKSA-N 2 0 255.365 2.519 20 30 CFEDRP C[NH+](C)C1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000353446064 282048602 /nfs/dbraw/zinc/04/86/02/282048602.db2.gz ZLSDENLSNZPACP-UHFFFAOYSA-N 2 0 257.381 2.521 20 30 CFEDRP C=CCCCC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000571392565 328118070 /nfs/dbraw/zinc/11/80/70/328118070.db2.gz USYWUWYSQSHMDG-QZTJIDSGSA-N 2 0 293.499 2.833 20 30 CFEDRP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185821194 329329776 /nfs/dbraw/zinc/32/97/76/329329776.db2.gz JUUFYLSGQVULNK-HOTGVXAUSA-N 2 0 263.429 2.780 20 30 CFEDRP N#Cc1ccccc1CSCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000582072634 325174710 /nfs/dbraw/zinc/17/47/10/325174710.db2.gz BPEJMEQSJQJCAN-JKSUJKDBSA-N 2 0 289.448 2.651 20 30 CFEDRP C[NH+](CCCC[N@@H+](C)CC(C)(C)C#N)CC(C)(C)C#N ZINC000559477912 327248113 /nfs/dbraw/zinc/24/81/13/327248113.db2.gz LBIKTLSQYGQTOZ-UHFFFAOYSA-N 2 0 278.444 2.730 20 30 CFEDRP C=CCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000358664731 328890344 /nfs/dbraw/zinc/89/03/44/328890344.db2.gz MNERYXMWQVVZOQ-UHFFFAOYSA-N 2 0 267.376 2.933 20 30 CFEDRP CC[NH+]1CCC(CC[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185845098 329333290 /nfs/dbraw/zinc/33/32/90/329333290.db2.gz OGALMXXFWLHTGU-CVEARBPZSA-N 2 0 263.429 2.780 20 30 CFEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])C(C)C ZINC000422828024 330156497 /nfs/dbraw/zinc/15/64/97/330156497.db2.gz FOVZMIPLNOIRHD-RCCFBDPRSA-N 2 0 293.499 2.935 20 30 CFEDRP C=CC[NH+](CC=C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000422825967 330156516 /nfs/dbraw/zinc/15/65/16/330156516.db2.gz BFGOGATYNYVSOE-WFFDWFOESA-N 2 0 291.483 2.558 20 30 CFEDRP C=CCCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423087783 330169280 /nfs/dbraw/zinc/16/92/80/330169280.db2.gz QJIBPRFJJJGYDB-RDJZCZTQSA-N 2 0 272.392 2.798 20 30 CFEDRP N#CC1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000423094191 330169415 /nfs/dbraw/zinc/16/94/15/330169415.db2.gz BAJLGOIHSVMVBK-IRKLFDGPSA-N 2 0 275.440 2.827 20 30 CFEDRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1CCC(C#N)CC1 ZINC000423102724 330170355 /nfs/dbraw/zinc/17/03/55/330170355.db2.gz ORNLXLMOBQATKT-IWCVFHTOSA-N 2 0 285.435 2.864 20 30 CFEDRP CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423124465 330171260 /nfs/dbraw/zinc/17/12/60/330171260.db2.gz MLSQBGPDEBYETH-QLFBSQMISA-N 2 0 263.429 2.827 20 30 CFEDRP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423191924 330176092 /nfs/dbraw/zinc/17/60/92/330176092.db2.gz UECAPMBLPXOMHK-UAGQMJEPSA-N 2 0 258.409 2.904 20 30 CFEDRP C=CCC[C@H](CCC)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423409387 330197085 /nfs/dbraw/zinc/19/70/85/330197085.db2.gz PWCNPPXSYGQZEB-HNNXBMFYSA-N 2 0 268.445 2.727 20 30 CFEDRP CC[C@H]([NH3+])C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423455768 330203561 /nfs/dbraw/zinc/20/35/61/330203561.db2.gz CUJMMOYYSFYLGX-GTPINHCMSA-N 2 0 271.408 2.717 20 30 CFEDRP C=CCC[C@H](CCC)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423523540 330209984 /nfs/dbraw/zinc/20/99/84/330209984.db2.gz WBSCMTVHFPJQQB-AOCRQIFASA-N 2 0 293.499 2.927 20 30 CFEDRP C#C[C@@H](CC)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000491351900 332195603 /nfs/dbraw/zinc/19/56/03/332195603.db2.gz WKXFNGUDBGUPPD-KRWDZBQOSA-N 2 0 299.462 2.718 20 30 CFEDRP CC1(C#N)CCC([NH2+]Cc2ccc(C[NH3+])cc2)CC1 ZINC000572524381 333184969 /nfs/dbraw/zinc/18/49/69/333184969.db2.gz JVCWPOIVASSDGJ-UHFFFAOYSA-N 2 0 257.381 2.707 20 30 CFEDRP C[NH+](C)CC1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000342692695 335185685 /nfs/dbraw/zinc/18/56/85/335185685.db2.gz KUQUZAOEAXJIGX-UHFFFAOYSA-N 2 0 271.408 2.526 20 30 CFEDRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000577062658 335293900 /nfs/dbraw/zinc/29/39/00/335293900.db2.gz VOHMGRPUFVBVKY-ZDUSSCGKSA-N 2 0 294.402 2.766 20 30 CFEDRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1F ZINC000423256845 533866627 /nfs/dbraw/zinc/86/66/27/533866627.db2.gz GHNNGBRMVZHLBW-QWHCGFSZSA-N 2 0 275.371 2.738 20 30 CFEDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181875339 520502216 /nfs/dbraw/zinc/50/22/16/520502216.db2.gz VMSDCMWPRMITLH-WMLDXEAASA-N 2 0 289.423 2.566 20 30 CFEDRP C#CCCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000113323952 526743297 /nfs/dbraw/zinc/74/32/97/526743297.db2.gz JAGBKDGWUSIPPT-KRWDZBQOSA-N 2 0 286.419 2.520 20 30 CFEDRP C=CCOc1ccccc1C[NH+]1CCC(C[NH2+]C)CC1 ZINC000347026357 526931440 /nfs/dbraw/zinc/93/14/40/526931440.db2.gz SWNWRLSKDOURNB-UHFFFAOYSA-N 2 0 274.408 2.683 20 30 CFEDRP C=CCOc1ccccc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000347221164 526931597 /nfs/dbraw/zinc/93/15/97/526931597.db2.gz UCRUXJDZWGDXSS-CQSZACIVSA-N 2 0 274.408 2.811 20 30 CFEDRP CC1(C#N)CCC([NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000334595128 528833595 /nfs/dbraw/zinc/83/35/95/528833595.db2.gz CQCJJIRGBGEUMA-UHFFFAOYSA-N 2 0 268.364 2.896 20 30 CFEDRP CCCN1CCC[C@H]1C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000926419295 618085313 /nfs/dbraw/zinc/08/53/13/618085313.db2.gz SFBTYOZLSMUSEU-KBPBESRZSA-N 2 0 251.418 2.779 20 30 CFEDRP C=C(C)C[NH+]1CCC(Nc2cc(N)[nH+]cc2Cl)CC1 ZINC000892397310 618224706 /nfs/dbraw/zinc/22/47/06/618224706.db2.gz YSKZCJQMUZFUNZ-UHFFFAOYSA-N 2 0 280.803 2.770 20 30 CFEDRP C[C@@H](C[NH+](C)C)[C@H]1CCCCN1Cc1ccc(C#N)o1 ZINC000895378494 618557772 /nfs/dbraw/zinc/55/77/72/618557772.db2.gz QNOQEMNMGFUFAZ-XJKSGUPXSA-N 2 0 275.396 2.703 20 30 CFEDRP CCc1ccc(NC(=[NH2+])NC[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC000104160393 618938151 /nfs/dbraw/zinc/93/81/51/618938151.db2.gz QEYDJORDWWLIJF-MRXNPFEDSA-N 2 0 290.455 2.952 20 30 CFEDRP C=CC[C@@H](CO)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925696060 618948309 /nfs/dbraw/zinc/94/83/09/618948309.db2.gz JDOCOJHOPBGQLL-GOEBONIOSA-N 2 0 276.424 2.583 20 30 CFEDRP C=CC[N@@H+](CCc1ccco1)CC1CC[NH+](C)CC1 ZINC000893419411 618985374 /nfs/dbraw/zinc/98/53/74/618985374.db2.gz DVTZDBGHDBUAEJ-UHFFFAOYSA-N 2 0 262.397 2.652 20 30 CFEDRP CSc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1C#N ZINC000925774832 619092929 /nfs/dbraw/zinc/09/29/29/619092929.db2.gz XQJCWNMHZCCGOH-ZIAGYGMSSA-N 2 0 275.421 2.640 20 30 CFEDRP C#CCOc1ccccc1CN1CCC(C)([NH+]2CCC2)CC1 ZINC000895670375 619582262 /nfs/dbraw/zinc/58/22/62/619582262.db2.gz FDMSTDNTCBLUIB-UHFFFAOYSA-N 2 0 298.430 2.759 20 30 CFEDRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000902381829 621059183 /nfs/dbraw/zinc/05/91/83/621059183.db2.gz GTOMMLYXAYQEPL-NRXISQOPSA-N 2 0 263.429 2.684 20 30 CFEDRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902791642 621177775 /nfs/dbraw/zinc/17/77/75/621177775.db2.gz WQNFOPKKXXSDKW-AWEZNQCLSA-N 2 0 286.423 2.726 20 30 CFEDRP CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1cccc(C#N)c1 ZINC000902998724 621224612 /nfs/dbraw/zinc/22/46/12/621224612.db2.gz HOWWYIZXDPUIJM-CJNGLKHVSA-N 2 0 259.397 2.797 20 30 CFEDRP C[C@H]([NH2+]CC(C)(C)C#N)c1ccc(OCC[NH+](C)C)cc1 ZINC000903100773 621252799 /nfs/dbraw/zinc/25/27/99/621252799.db2.gz XJYTUKNNCIEGEQ-AWEZNQCLSA-N 2 0 289.423 2.827 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000903426845 621370462 /nfs/dbraw/zinc/37/04/62/621370462.db2.gz PQYLHNAIVGNUJB-MRXNPFEDSA-N 2 0 259.397 2.638 20 30 CFEDRP C[C@H]([NH3+])C1CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000903422638 621379347 /nfs/dbraw/zinc/37/93/47/621379347.db2.gz HCISNBBYOXBHDR-NSHDSACASA-N 2 0 277.799 2.771 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000903458615 621380096 /nfs/dbraw/zinc/38/00/96/621380096.db2.gz FOHBNNDXWMKXBS-WBMJQRKESA-N 2 0 271.408 2.592 20 30 CFEDRP C[C@@H]1C[C@@H](C)[N@H+](CC2CCC(C#N)CC2)C[C@@H]1C[NH3+] ZINC000903459956 621381350 /nfs/dbraw/zinc/38/13/50/621381350.db2.gz RXUWFMDVPHXYDQ-KBJXHQRYSA-N 2 0 263.429 2.622 20 30 CFEDRP CC[C@@H]1C[N@H+](Cc2c(C)cc(C#N)cc2C)CC[C@@H]1[NH3+] ZINC000903449821 621386381 /nfs/dbraw/zinc/38/63/81/621386381.db2.gz HMVJBQBBYONKHM-WBVHZDCISA-N 2 0 271.408 2.734 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000903449810 621386454 /nfs/dbraw/zinc/38/64/54/621386454.db2.gz HEWDWIMDZPFFHQ-HNNXBMFYSA-N 2 0 271.408 2.736 20 30 CFEDRP N#CC1CCC(C[N@@H+]2CC[NH2+]CCC23CCC3)CC1 ZINC000903482803 621392831 /nfs/dbraw/zinc/39/28/31/621392831.db2.gz UDVWNIMOBQRXBQ-UHFFFAOYSA-N 2 0 261.413 2.534 20 30 CFEDRP C[N@H+](CCCCCCC[NH3+])Cc1cc(C#N)cs1 ZINC000903826359 621450452 /nfs/dbraw/zinc/45/04/52/621450452.db2.gz JKXQEWSDHYQGDN-UHFFFAOYSA-N 2 0 265.426 2.961 20 30 CFEDRP C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(C#N)c1 ZINC000903950169 621487179 /nfs/dbraw/zinc/48/71/79/621487179.db2.gz JFRONPFVNOQQRM-JATKITJMSA-N 2 0 269.392 2.739 20 30 CFEDRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000905533193 621785625 /nfs/dbraw/zinc/78/56/25/621785625.db2.gz DJEVKFGPYUGWSA-GTPINHCMSA-N 2 0 288.439 2.817 20 30 CFEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N(C)C1CCC([NH3+])CC1 ZINC000911866063 622561470 /nfs/dbraw/zinc/56/14/70/622561470.db2.gz ZMFUYDZWKANFRE-UYSNPLJNSA-N 2 0 297.487 2.793 20 30 CFEDRP c1nncn1[NH+]=C1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]12 ZINC000834911590 625920038 /nfs/dbraw/zinc/92/00/38/625920038.db2.gz DBUFKBGFRCJKQW-NVXWUHKLSA-N 2 0 295.390 2.557 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000921551125 625984900 /nfs/dbraw/zinc/98/49/00/625984900.db2.gz ZOKWJNDGUZTXGB-IRXDYDNUSA-N 2 0 283.419 2.892 20 30 CFEDRP C=CCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000772856802 627751384 /nfs/dbraw/zinc/75/13/84/627751384.db2.gz RMZWHKBPGDEXEJ-MSOLQXFVSA-N 2 0 288.435 2.740 20 30 CFEDRP C#CCSCC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000773010580 627768601 /nfs/dbraw/zinc/76/86/01/627768601.db2.gz NSEYFTPVUUFFON-WBVHZDCISA-N 2 0 294.508 2.986 20 30 CFEDRP C#CCCCC[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000773041814 627773154 /nfs/dbraw/zinc/77/31/54/627773154.db2.gz SJLDIMFFLPNCEL-SJORKVTESA-N 2 0 280.456 2.517 20 30 CFEDRP C#Cc1ccc(C[N@@H+](C)C2CC[NH+](CCC)CC2)cc1 ZINC000809549469 631232641 /nfs/dbraw/zinc/23/26/41/631232641.db2.gz IOPGLTFCQQHDNP-UHFFFAOYSA-N 2 0 270.420 2.974 20 30 CFEDRP C#Cc1ccc(C[NH2+]CC2(C[NH+](C)C)CCCC2)cc1 ZINC000809638778 631253400 /nfs/dbraw/zinc/25/34/00/631253400.db2.gz FAIWCXIXOMOZNZ-UHFFFAOYSA-N 2 0 270.420 2.880 20 30 CFEDRP C#CCOc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000809766814 631284498 /nfs/dbraw/zinc/28/44/98/631284498.db2.gz BCXJJFCNQNPJGL-PKOBYXMFSA-N 2 0 298.430 2.615 20 30 CFEDRP C#C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C(C)(C)C ZINC000809781096 631287600 /nfs/dbraw/zinc/28/76/00/631287600.db2.gz HNSBZCTUHXRURB-KRWDZBQOSA-N 2 0 288.435 2.765 20 30 CFEDRP C#CCOc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000816642048 632499581 /nfs/dbraw/zinc/49/95/81/632499581.db2.gz NSCHFPNIXZFART-LJQANCHMSA-N 2 0 298.430 2.616 20 30 CFEDRP CCCCCCCCNC(=[NH2+])NC[C@H](C)[NH+]1CCCC1 ZINC000849061229 633482177 /nfs/dbraw/zinc/48/21/77/633482177.db2.gz CRJROULSGJJSRY-HNNXBMFYSA-N 2 0 282.476 2.945 20 30 CFEDRP CN(C)C(=[NH+]CC[NH+]1CCC2(CCCCC2)CC1)N(C)C ZINC000849108342 633486280 /nfs/dbraw/zinc/48/62/80/633486280.db2.gz QRVYAZXIDBBPBC-UHFFFAOYSA-N 2 0 294.487 2.512 20 30 CFEDRP CCCCCCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000863540292 637688234 /nfs/dbraw/zinc/68/82/34/637688234.db2.gz RWHWYBJBRZDTBD-OWCLPIDISA-N 2 0 268.445 2.704 20 30 CFEDRP C=CCN1CCC([NH2+]Cc2cc(F)cc(OCC)c2)CC1 ZINC000865454115 638346035 /nfs/dbraw/zinc/34/60/35/638346035.db2.gz PYFVCCJFPLOAOD-UHFFFAOYSA-N 2 0 292.398 2.964 20 30 CFEDRP C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C1CC[NH2+]CC1 ZINC000873270213 642111929 /nfs/dbraw/zinc/11/19/29/642111929.db2.gz YUSOMWMLAKFEFL-OLZOCXBDSA-N 2 0 257.381 2.597 20 30 CFEDRP C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)C1CC[NH2+]CC1 ZINC000873270688 642112657 /nfs/dbraw/zinc/11/26/57/642112657.db2.gz ZZMPJQITHQKUJS-SJKOYZFVSA-N 2 0 269.392 2.523 20 30 CFEDRP CC[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000873271811 642112718 /nfs/dbraw/zinc/11/27/18/642112718.db2.gz LTNYHKFQRPNQNS-GUYCJALGSA-N 2 0 271.408 2.987 20 30 CFEDRP C#CCCCCCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000876577201 642931490 /nfs/dbraw/zinc/93/14/90/642931490.db2.gz XHLRIVKZAXSNNR-UHFFFAOYSA-N 2 0 292.467 2.614 20 30 CFEDRP C[N@@H+](CCc1cccc(C#N)c1)CC[C@H]1CCCC[NH+]1C ZINC000879434607 644272454 /nfs/dbraw/zinc/27/24/54/644272454.db2.gz LVZFQZNCHSEDLA-GOSISDBHSA-N 2 0 285.435 2.907 20 30 CFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H](C)CCCC(C)C ZINC000303708961 650999483 /nfs/dbraw/zinc/99/94/83/650999483.db2.gz NKVIQZAKGYMXSM-HUUCEWRRSA-N 2 0 282.476 2.590 20 30 CFEDRP CCCCCCNC(=[NH2+])NCC1CC[NH+](CCC)CC1 ZINC000303865948 651004568 /nfs/dbraw/zinc/00/45/68/651004568.db2.gz BYRSIBXKAWCYRK-UHFFFAOYSA-N 2 0 282.476 2.593 20 30 CFEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000303881472 651005597 /nfs/dbraw/zinc/00/55/97/651005597.db2.gz HTJJLPJGNOXMMZ-GJZGRUSLSA-N 2 0 294.487 2.590 20 30 CFEDRP C[C@H]1CCC[N@H+](CCCCNC(=[NH2+])NC2CCCCC2)C1 ZINC000303882696 651006478 /nfs/dbraw/zinc/00/64/78/651006478.db2.gz IHTQXLGYULPDSV-HNNXBMFYSA-N 2 0 294.487 2.736 20 30 CFEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=[NH2+])N2CCCCC2)C1 ZINC000303908318 651008667 /nfs/dbraw/zinc/00/86/67/651008667.db2.gz XMUWXSOIWSGAES-IYBDPMFKSA-N 2 0 294.487 2.545 20 30 CFEDRP C=CCC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)[C@H]1CCCO1 ZINC000883169551 645636432 /nfs/dbraw/zinc/63/64/32/645636432.db2.gz YRPUCQFMHQHEPO-HZPDHXFCSA-N 2 0 268.445 2.820 20 30 CFEDRP C=CCC[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)[C@H]1CCCO1 ZINC000883193440 645654387 /nfs/dbraw/zinc/65/43/87/645654387.db2.gz WIYOTKARADTHRF-LVQVYYBASA-N 2 0 266.429 2.573 20 30 CFEDRP C=CCC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@H]1CCCO1 ZINC000883199841 645659519 /nfs/dbraw/zinc/65/95/19/645659519.db2.gz QJXNTYDWVSPACD-IAGOWNOFSA-N 2 0 280.456 2.963 20 30 CFEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000304754349 651032485 /nfs/dbraw/zinc/03/24/85/651032485.db2.gz LUYDRXZBUICDQS-INIZCTEOSA-N 2 0 288.439 2.904 20 30 CFEDRP Cc1ccc(NC(=[NH2+])NCC[N@@H+](C)C2CCCC2)cc1C ZINC000304758445 651032809 /nfs/dbraw/zinc/03/28/09/651032809.db2.gz QADMZPBAJGFWLG-UHFFFAOYSA-N 2 0 288.439 2.904 20 30 CFEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])Nc1cccc(C)c1 ZINC000304759702 651033121 /nfs/dbraw/zinc/03/31/21/651033121.db2.gz RNDXGLKZGNAZCU-OAHLLOKOSA-N 2 0 274.412 2.596 20 30 CFEDRP C=CCC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@@H]1CCCO1 ZINC000883239085 645687089 /nfs/dbraw/zinc/68/70/89/645687089.db2.gz VWPDAMBKYHTUGR-IKGGRYGDSA-N 2 0 280.456 2.822 20 30 CFEDRP CN(C)C(=[NH+]C[C@H]1CCC[N@@H+]1CC1CCCCC1)N(C)C ZINC000304764661 651034451 /nfs/dbraw/zinc/03/44/51/651034451.db2.gz YIPLYRPKINIFDL-MRXNPFEDSA-N 2 0 294.487 2.510 20 30 CFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(CC(C)C)CCC1 ZINC000304995463 651040161 /nfs/dbraw/zinc/04/01/61/651040161.db2.gz FONKOUVCZOYRHE-OAHLLOKOSA-N 2 0 294.487 2.591 20 30 CFEDRP C=C(C)C[C@@H](CO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000883389190 645786431 /nfs/dbraw/zinc/78/64/31/645786431.db2.gz MBHWGQHZAPWEQB-INIZCTEOSA-N 2 0 280.456 2.700 20 30 CFEDRP C=C(C)C[C@H](CO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000883389191 645786709 /nfs/dbraw/zinc/78/67/09/645786709.db2.gz MBHWGQHZAPWEQB-MRXNPFEDSA-N 2 0 280.456 2.700 20 30 CFEDRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])N2CCCCCC2)C1 ZINC000305094875 651048172 /nfs/dbraw/zinc/04/81/72/651048172.db2.gz ZAUVLDRTYYPMRI-HNNXBMFYSA-N 2 0 294.487 2.688 20 30 CFEDRP CCC1([NH+]2CCC2)CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000886715690 647119951 /nfs/dbraw/zinc/11/99/51/647119951.db2.gz BBMIZWGUZSXHEX-GJZGRUSLSA-N 2 0 261.413 2.629 20 30 CFEDRP N#Cc1ccc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000886872206 647164948 /nfs/dbraw/zinc/16/49/48/647164948.db2.gz MLENHQJCKLJXBK-QGZVFWFLSA-N 2 0 269.392 2.524 20 30 CFEDRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000887130327 647221702 /nfs/dbraw/zinc/22/17/02/647221702.db2.gz BJLIPMKBMAQOKT-HNNXBMFYSA-N 2 0 292.386 2.664 20 30 CFEDRP C(#CC[NH2+]C1(C2CC2)CCC1)C[NH2+]C1(C2CC2)CCC1 ZINC000887147594 647231628 /nfs/dbraw/zinc/23/16/28/647231628.db2.gz SVMHGMVIETYNSD-UHFFFAOYSA-N 2 0 272.436 2.834 20 30 CFEDRP Cc1cccc(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000104167947 647553313 /nfs/dbraw/zinc/55/33/13/647553313.db2.gz MXFKJJNDARFJJC-GJZGRUSLSA-N 2 0 288.439 2.842 20 30 CFEDRP Cc1cccc(NC(=[NH2+])NCC[NH+]2CCCCCC2)c1 ZINC000104168385 647553599 /nfs/dbraw/zinc/55/35/99/647553599.db2.gz BBIXNAIEUHUIJI-UHFFFAOYSA-N 2 0 274.412 2.598 20 30 CFEDRP CCCCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000104181480 647555594 /nfs/dbraw/zinc/55/55/94/647555594.db2.gz ZRAJLJBJPPNUPQ-HNNXBMFYSA-N 2 0 282.476 2.591 20 30 CFEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)C(C)C ZINC000925537124 648205513 /nfs/dbraw/zinc/20/55/13/648205513.db2.gz JFKBHNALJRAJNX-BRWVUGGUSA-N 2 0 291.483 2.545 20 30 CFEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925619483 648242648 /nfs/dbraw/zinc/24/26/48/648242648.db2.gz OBEAHJWHQNWVTR-DJIMGWMZSA-N 2 0 299.418 2.727 20 30 CFEDRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC000925624340 648244682 /nfs/dbraw/zinc/24/46/82/648244682.db2.gz ZQHKCPXXWXEHDP-GJZGRUSLSA-N 2 0 287.407 2.585 20 30 CFEDRP C=CCCSCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925702673 648286575 /nfs/dbraw/zinc/28/65/75/648286575.db2.gz AEHSLAGAYAFBLK-RDBSUJKOSA-N 2 0 268.470 2.662 20 30 CFEDRP C=CCCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000925712016 648291458 /nfs/dbraw/zinc/29/14/58/648291458.db2.gz YWQLLTMBADSUBL-MGNMYUMUSA-N 2 0 280.456 2.963 20 30 CFEDRP CCC1([NH3+])CC[NH+]([C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000925760827 648311274 /nfs/dbraw/zinc/31/12/74/648311274.db2.gz SSILLYJOTZSHRS-INIZCTEOSA-N 2 0 269.392 2.749 20 30 CFEDRP CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(C#N)cc1 ZINC000925880378 648353783 /nfs/dbraw/zinc/35/37/83/648353783.db2.gz QLBOHXSHLZGGTB-KBMXLJTQSA-N 2 0 257.381 2.726 20 30 CFEDRP C[NH2+][C@@]12CC[C@@](NCc3cccc(C#N)c3F)(C1)CCC2 ZINC001277007574 775311885 /nfs/dbraw/zinc/31/18/85/775311885.db2.gz WAOFWWZAIRTHSE-DLBZAZTESA-N 2 0 287.382 2.852 20 30 CFEDRP C=CC(NCC[NH+](CCCC)CCCC)=[NH+]COC ZINC001167733152 775864691 /nfs/dbraw/zinc/86/46/91/775864691.db2.gz OGHGMNRYVHFLCG-UHFFFAOYSA-N 2 0 269.433 2.667 20 30 CFEDRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000695793045 776012537 /nfs/dbraw/zinc/01/25/37/776012537.db2.gz XEKILURIZCFZHQ-ZIAGYGMSSA-N 2 0 251.418 2.636 20 30 CFEDRP C[NH+](C)C1CCC([N@@H+]2CCc3ccc(C#N)cc3C2)CC1 ZINC001168315350 778426522 /nfs/dbraw/zinc/42/65/22/778426522.db2.gz VBSOIXGYSMSJCL-UHFFFAOYSA-N 2 0 283.419 2.789 20 30 CFEDRP C[NH+]1CCC2(CC1)C[N@H+](CCCC#N)Cc1ccccc12 ZINC001277943363 778480839 /nfs/dbraw/zinc/48/08/39/778480839.db2.gz UYSKEEMGZLGOTR-UHFFFAOYSA-N 2 0 283.419 2.769 20 30 CFEDRP C#CC[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC001235833509 778572909 /nfs/dbraw/zinc/57/29/09/778572909.db2.gz FZTKEJCGXSLUJJ-QFBILLFUSA-N 2 0 282.431 2.999 20 30 CFEDRP C=CCCCC[N@@H+](C)Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001236085859 778685515 /nfs/dbraw/zinc/68/55/15/778685515.db2.gz XOAPMTWNPPLGTM-UHFFFAOYSA-N 2 0 287.451 2.884 20 30 CFEDRP [NH3+]CCCCC[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001236303914 778767709 /nfs/dbraw/zinc/76/77/09/778767709.db2.gz VIAOBMDFNUIJKY-UHFFFAOYSA-N 2 0 270.420 2.879 20 30 CFEDRP C=CC[N@H+](Cc1cccc(N2CC[NH2+]CC2)c1)C(C)(C)C ZINC001236309397 778771117 /nfs/dbraw/zinc/77/11/17/778771117.db2.gz KMOZGRYDUBHQFC-UHFFFAOYSA-N 2 0 287.451 2.883 20 30 CFEDRP N#Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236321680 778779383 /nfs/dbraw/zinc/77/93/83/778779383.db2.gz VOHSIBZJVYXGJF-GASCZTMLSA-N 2 0 289.810 2.643 20 30 CFEDRP CCCCCCCCN(CC[NH+](C)C)C1CC[NH2+]CC1 ZINC001236911319 778981732 /nfs/dbraw/zinc/98/17/32/778981732.db2.gz BWFNXNRDOGCOIA-UHFFFAOYSA-N 2 0 283.504 2.963 20 30 CFEDRP C=CCc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1O ZINC001237391124 779092141 /nfs/dbraw/zinc/09/21/41/779092141.db2.gz KNDXJDVJJXGABB-RDJZCZTQSA-N 2 0 286.419 2.695 20 30 CFEDRP N#Cc1cc(CN2CCC[C@H]([NH3+])CC2)ccc1Cl ZINC001205124693 779277009 /nfs/dbraw/zinc/27/70/09/779277009.db2.gz YFCCIVWDKXYSPZ-ZDUSSCGKSA-N 2 0 263.772 2.525 20 30 CFEDRP CCc1cc(CN2CC[C@]3(CC[N@H+](C)C3)C2)ccc1C#N ZINC001238768673 779386830 /nfs/dbraw/zinc/38/68/30/779386830.db2.gz MPFQGHBUEDYFHM-SFHVURJKSA-N 2 0 283.419 2.648 20 30 CFEDRP C#CCOc1ccc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000175008963 779536253 /nfs/dbraw/zinc/53/62/53/779536253.db2.gz FUMPILHIXMXGIY-IRXDYDNUSA-N 2 0 286.419 2.661 20 30 CFEDRP C[NH2+]Cc1ccccc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240361588 780114101 /nfs/dbraw/zinc/11/41/01/780114101.db2.gz SLEGVCGASCNEFL-UHFFFAOYSA-N 2 0 277.371 2.631 20 30 CFEDRP N#CCC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000594583043 349451602 /nfs/dbraw/zinc/45/16/02/349451602.db2.gz RWEJVBSFAAILLE-JYJNAYRXSA-N 2 0 257.381 2.891 20 30 CFEDRP N#Cc1ccc(C2([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)CCC2)cc1 ZINC000594584719 349452236 /nfs/dbraw/zinc/45/22/36/349452236.db2.gz FJDZUGPMYMHGFV-HZPDHXFCSA-N 2 0 269.392 2.797 20 30 CFEDRP C=CCCSCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000594959763 349530375 /nfs/dbraw/zinc/53/03/75/349530375.db2.gz CLDWMGUBFQFZIZ-UONOGXRCSA-N 2 0 254.443 2.512 20 30 CFEDRP CCC[NH+]1CCC([NH2+]CCc2ccc(C#N)cc2)CC1 ZINC000595060635 349571430 /nfs/dbraw/zinc/57/14/30/349571430.db2.gz NCEFSAIGUFBUOU-UHFFFAOYSA-N 2 0 271.408 2.565 20 30 CFEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000595102424 349582332 /nfs/dbraw/zinc/58/23/32/349582332.db2.gz HVLBXDNBEXHPSM-IAGOWNOFSA-N 2 0 275.440 2.780 20 30 CFEDRP C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(F)c(C#N)c1)C2 ZINC000595505288 349644616 /nfs/dbraw/zinc/64/46/16/349644616.db2.gz RMGSGSFUUFYDLS-KRWDZBQOSA-N 2 0 287.382 2.615 20 30 CFEDRP C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(C#N)cc1F)C2 ZINC000595508209 349645714 /nfs/dbraw/zinc/64/57/14/349645714.db2.gz VNIDTSFBAROUGD-KRWDZBQOSA-N 2 0 287.382 2.615 20 30 CFEDRP N#C[C@@H]1CCC[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000596649375 349967826 /nfs/dbraw/zinc/96/78/26/349967826.db2.gz ZLGZDQNJAPGCQI-VDHUWJSZSA-N 2 0 283.419 2.804 20 30 CFEDRP CCNC(NCc1ccc(C[NH+](CC)CC)cc1)=[NH+]CC ZINC000066242423 346751452 /nfs/dbraw/zinc/75/14/52/346751452.db2.gz GTTKCUSPLOKLOA-UHFFFAOYSA-N 2 0 290.455 2.603 20 30 CFEDRP C=CCN(CCC#N)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000590050753 348871715 /nfs/dbraw/zinc/87/17/15/348871715.db2.gz ZXPWYNHCKRHDGQ-UHFFFAOYSA-N 2 0 287.407 2.529 20 30 CFEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000591728110 349040678 /nfs/dbraw/zinc/04/06/78/349040678.db2.gz YBYVONJLXGNBIC-ZACQAIPSSA-N 2 0 290.455 2.778 20 30 CFEDRP C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)[C@H]1CCC[NH2+]C1 ZINC000591578092 349032246 /nfs/dbraw/zinc/03/22/46/349032246.db2.gz XZGGAYZRQMKPBB-OWQGQXMQSA-N 2 0 283.419 2.913 20 30 CFEDRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591581790 349032464 /nfs/dbraw/zinc/03/24/64/349032464.db2.gz VDHNKKXBCMTIIZ-LRDDRELGSA-N 2 0 257.381 2.653 20 30 CFEDRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000593324480 349247424 /nfs/dbraw/zinc/24/74/24/349247424.db2.gz WOVDRIPJSGKUKG-CZUORRHYSA-N 2 0 257.381 2.578 20 30 CFEDRP C[NH+]1CCC(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594498253 349431327 /nfs/dbraw/zinc/43/13/27/349431327.db2.gz INNBRSARWSZMFU-UHFFFAOYSA-N 2 0 285.435 2.919 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000090720509 180030876 /nfs/dbraw/zinc/03/08/76/180030876.db2.gz KXXGQHSCNPEDRQ-GOEBONIOSA-N 2 0 274.408 2.824 20 30 CFEDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000105457203 186058349 /nfs/dbraw/zinc/05/83/49/186058349.db2.gz FXVXWHLWOATRPB-KRWDZBQOSA-N 2 0 271.408 2.768 20 30 CFEDRP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1C#N ZINC000600709973 350599351 /nfs/dbraw/zinc/59/93/51/350599351.db2.gz MKIXLSMBQVAIOX-IAGOWNOFSA-N 2 0 283.419 2.688 20 30 CFEDRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(C#N)c(F)c1 ZINC000602023496 350834780 /nfs/dbraw/zinc/83/47/80/350834780.db2.gz YLCCIGBNXGVUIW-LALPHHSUSA-N 2 0 275.371 2.865 20 30 CFEDRP C[C@@H](CCC#N)C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000602504817 350908243 /nfs/dbraw/zinc/90/82/43/350908243.db2.gz WGDYFZXJMPTUCP-GJZGRUSLSA-N 2 0 251.418 2.780 20 30 CFEDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cccc(C#N)n1 ZINC000602515105 350911155 /nfs/dbraw/zinc/91/11/55/350911155.db2.gz UHENJJZXKWXPGZ-HNNXBMFYSA-N 2 0 286.423 2.697 20 30 CFEDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602545130 350919421 /nfs/dbraw/zinc/91/94/21/350919421.db2.gz NELXIPVBPXKPKM-PCKAHOCUSA-N 2 0 263.429 2.779 20 30 CFEDRP CC[NH+](CC)CC1CC[NH+](C[C@H](C)CCC#N)CC1 ZINC000602437834 350882725 /nfs/dbraw/zinc/88/27/25/350882725.db2.gz ADSSQKKLHVAVJF-OAHLLOKOSA-N 2 0 265.445 2.980 20 30 CFEDRP N#CC1CCC([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000602637135 350956318 /nfs/dbraw/zinc/95/63/18/350956318.db2.gz KSDJLTJTBNAJPG-UHFFFAOYSA-N 2 0 261.413 2.533 20 30 CFEDRP CC(C)[NH2+][C@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000610447978 351568293 /nfs/dbraw/zinc/56/82/93/351568293.db2.gz WLSMBCKMURXOKO-AWEZNQCLSA-N 2 0 251.418 2.779 20 30 CFEDRP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611392031 351680080 /nfs/dbraw/zinc/68/00/80/351680080.db2.gz FKLYZSCRUBIRPR-GUYCJALGSA-N 2 0 271.408 2.865 20 30 CFEDRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C#N)c1 ZINC000295804700 299273456 /nfs/dbraw/zinc/27/34/56/299273456.db2.gz AMBCELBORDFNFU-RJCAOGMDSA-N 2 0 269.392 2.834 20 30 CFEDRP N#Cc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1F ZINC000421386537 236795235 /nfs/dbraw/zinc/79/52/35/236795235.db2.gz MDHXDIPMHFELAL-UHFFFAOYSA-N 2 0 287.382 2.661 20 30 CFEDRP CC[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435614332 240332993 /nfs/dbraw/zinc/33/29/93/240332993.db2.gz MHGSQPZYMAZNFK-INIZCTEOSA-N 2 0 257.381 2.522 20 30 CFEDRP C=CCC[C@H](O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000675489436 541662511 /nfs/dbraw/zinc/66/25/11/541662511.db2.gz XDJHCZBYMRORFI-SFHVURJKSA-N 2 0 294.483 2.902 20 30 CFEDRP C#CCC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000276302024 193277632 /nfs/dbraw/zinc/27/76/32/193277632.db2.gz XDEJMGXBYFZSJI-VQFNDLOPSA-N 2 0 270.420 2.756 20 30 CFEDRP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)C[NH+]1CCCCC1 ZINC000037997644 372755766 /nfs/dbraw/zinc/75/57/66/372755766.db2.gz CKBDCSDGJZJDDD-HNNXBMFYSA-N 2 0 271.408 2.770 20 30 CFEDRP CCN(CC)C(=[NH2+])NCc1ccc(C[NH+](CC)CC)cc1 ZINC000264056152 383692290 /nfs/dbraw/zinc/69/22/90/383692290.db2.gz AUBHOSFUSNLFAK-UHFFFAOYSA-N 2 0 290.455 2.685 20 30 CFEDRP N#Cc1ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000129925874 377489489 /nfs/dbraw/zinc/48/94/89/377489489.db2.gz UJVWRENRMSSSIT-CYBMUJFWSA-N 2 0 275.421 2.537 20 30 CFEDRP C=C(C)C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000130811921 377615983 /nfs/dbraw/zinc/61/59/83/377615983.db2.gz ZTQDZOODMAFIDS-UHFFFAOYSA-N 2 0 250.308 2.569 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000163247441 378963097 /nfs/dbraw/zinc/96/30/97/378963097.db2.gz OAXOIYYCVAOGIU-JKSUJKDBSA-N 2 0 286.419 2.691 20 30 CFEDRP C[NH+]1CCC2(CCC[N@@H+]2Cc2cccc(C#N)c2)CC1 ZINC000334427063 379278733 /nfs/dbraw/zinc/27/87/33/379278733.db2.gz WOPNJEPMUKMROL-UHFFFAOYSA-N 2 0 269.392 2.618 20 30 CFEDRP Cc1cc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)ccc1C#N ZINC000335674229 379700800 /nfs/dbraw/zinc/70/08/00/379700800.db2.gz XHIIGHPTOWMGOA-YOEHRIQHSA-N 2 0 271.408 2.639 20 30 CFEDRP CC[NH+](CC)CC1CC[NH+](CCCSCC#N)CC1 ZINC000336801730 380655705 /nfs/dbraw/zinc/65/57/05/380655705.db2.gz RBNKEYOOUBIKLV-UHFFFAOYSA-N 2 0 283.485 2.687 20 30 CFEDRP C#Cc1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000368014190 380884258 /nfs/dbraw/zinc/88/42/58/380884258.db2.gz DYHMSKMFEIMYHC-GUDVDZBRSA-N 2 0 280.415 2.584 20 30 CFEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000404596557 380904809 /nfs/dbraw/zinc/90/48/09/380904809.db2.gz YCFWZXGDVGRBMX-HYVNUMGLSA-N 2 0 287.382 2.708 20 30 CFEDRP C[C@H](C#N)CNCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000183822110 381324946 /nfs/dbraw/zinc/32/49/46/381324946.db2.gz VYCSTLDKFCFQEA-OAHLLOKOSA-N 2 0 273.424 2.894 20 30 CFEDRP Cc1nccn1-c1ccc([C@@H](C)NCCC#N)cc1 ZINC000348367835 381535601 /nfs/dbraw/zinc/53/56/01/381535601.db2.gz FUTHGMTUVBYFTR-GFCCVEGCSA-N 2 0 254.337 2.745 20 30 CFEDRP C#CCCOc1ccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292812962 381847126 /nfs/dbraw/zinc/84/71/26/381847126.db2.gz OZNSVEZQZTZZNK-LJQANCHMSA-N 2 0 298.430 2.616 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000293238280 382042199 /nfs/dbraw/zinc/04/21/99/382042199.db2.gz BCSDUDHXSOGLGO-HUUCEWRRSA-N 2 0 274.408 2.547 20 30 CFEDRP C=C(C)CN(C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000375360479 382081845 /nfs/dbraw/zinc/08/18/45/382081845.db2.gz GAZVZCHNQGXFGX-SFHVURJKSA-N 2 0 288.435 2.785 20 30 CFEDRP C=C(C)C[N@@H+](CCn1ccnc1)Cc1cnn(C(C)C)c1 ZINC000352915463 382483075 /nfs/dbraw/zinc/48/30/75/382483075.db2.gz OTPAYJBSBYWHDF-UHFFFAOYSA-N 2 0 287.411 2.739 20 30 CFEDRP C#CC[C@@H](C)[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000366521270 382525421 /nfs/dbraw/zinc/52/54/21/382525421.db2.gz PMFCPKNXGHSOFF-NVXWUHKLSA-N 2 0 298.430 2.976 20 30 CFEDRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)c1 ZINC000442712599 382948322 /nfs/dbraw/zinc/94/83/22/382948322.db2.gz UZJVALKBNYRANP-CJNGLKHVSA-N 2 0 257.381 2.530 20 30 CFEDRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442712600 382948663 /nfs/dbraw/zinc/94/86/63/382948663.db2.gz UZJVALKBNYRANP-CZUORRHYSA-N 2 0 257.381 2.530 20 30 CFEDRP N#CCCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000247009112 383131686 /nfs/dbraw/zinc/13/16/86/383131686.db2.gz XIPOWVCFFXAONL-GDBMZVCRSA-N 2 0 261.413 2.629 20 30 CFEDRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(C#N)c(F)c1 ZINC000423445237 383098896 /nfs/dbraw/zinc/09/88/96/383098896.db2.gz XRNRMOFAKOHZKA-NWDGAFQWSA-N 2 0 263.360 2.865 20 30 CFEDRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc(C#N)c1 ZINC000423484002 383114980 /nfs/dbraw/zinc/11/49/80/383114980.db2.gz QPNZNOGSXSDSIV-CJNGLKHVSA-N 2 0 257.381 2.741 20 30 CFEDRP C=CCCCC[C@@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000449302176 383207748 /nfs/dbraw/zinc/20/77/48/383207748.db2.gz JKODMOAXMGBLEL-MRXNPFEDSA-N 2 0 281.488 2.737 20 30 CFEDRP N#CCC1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000516562052 383165391 /nfs/dbraw/zinc/16/53/91/383165391.db2.gz KOFAFMLXMWGRPX-CRAIPNDOSA-N 2 0 297.402 2.526 20 30 CFEDRP C[C@H](CCC#N)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000428268798 383439500 /nfs/dbraw/zinc/43/95/00/383439500.db2.gz NJWFGRWQRVPKFX-QLFBSQMISA-N 2 0 263.429 2.921 20 30 CFEDRP C=CC[C@@H](C)[C@H](C)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635007120 383462958 /nfs/dbraw/zinc/46/29/58/383462958.db2.gz FBJOBUMUOHFCJN-KGLIPLIRSA-N 2 0 274.412 2.504 20 30 CFEDRP C=CCCC(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000635021954 383474147 /nfs/dbraw/zinc/47/41/47/383474147.db2.gz QINGPWRCXFXWJD-RBSFLKMASA-N 2 0 250.430 2.957 20 30 CFEDRP C[C@@H](c1cccc(C#N)c1)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000573880847 384004845 /nfs/dbraw/zinc/00/48/45/384004845.db2.gz VOXFOKCCYHKTKT-RRQGHBQHSA-N 2 0 269.392 2.788 20 30 CFEDRP C[NH+](C)[C@@H]1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000277413019 384295126 /nfs/dbraw/zinc/29/51/26/384295126.db2.gz INMRLFDLOYOKEV-GFCCVEGCSA-N 2 0 263.410 2.536 20 30 CFEDRP N#Cc1cc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)ccc1F ZINC000268258518 384581340 /nfs/dbraw/zinc/58/13/40/384581340.db2.gz WRQLFFYRZYVKOY-CYBMUJFWSA-N 2 0 284.338 2.800 20 30 CFEDRP C#C[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289110015 197237168 /nfs/dbraw/zinc/23/71/68/197237168.db2.gz CSHJAIAXTFGCDQ-ZOBUZTSGSA-N 2 0 256.393 2.508 20 30 CFEDRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)c(OC)c1 ZINC000282509328 385330687 /nfs/dbraw/zinc/33/06/87/385330687.db2.gz YUOFBJXYDPAOJA-SJORKVTESA-N 2 0 299.418 2.625 20 30 CFEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639303371 385430251 /nfs/dbraw/zinc/43/02/51/385430251.db2.gz PSRJEJRVPUGYJZ-NVXWUHKLSA-N 2 0 294.483 2.946 20 30 CFEDRP C=CC[C@H](CC)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000393810158 262193299 /nfs/dbraw/zinc/19/32/99/262193299.db2.gz SFKBDRFKBAPBOL-AWEZNQCLSA-N 2 0 259.397 2.995 20 30 CFEDRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(C#N)cc1F ZINC000423482265 533388293 /nfs/dbraw/zinc/38/82/93/533388293.db2.gz OWCRJMUXNXXMOB-TZMCWYRMSA-N 2 0 275.371 2.880 20 30 CFEDRP CC(C)[N@@H+]1CCC[C@@H](CNCc2ccc(C#N)cc2F)C1 ZINC000269414099 132167367 /nfs/dbraw/zinc/16/73/67/132167367.db2.gz JVBNQXCVBFAXOJ-HNNXBMFYSA-N 2 0 289.398 2.907 20 30 CFEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000373864317 393476092 /nfs/dbraw/zinc/47/60/92/393476092.db2.gz CHUFOQZIDYECBX-YJBOKZPZSA-N 2 0 292.467 2.964 20 30 CFEDRP CCCCCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374318185 393492213 /nfs/dbraw/zinc/49/22/13/393492213.db2.gz PQSZCVUYBOMIST-QZTJIDSGSA-N 2 0 295.515 2.915 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CCCN(C)[C@@H]1C)c1ccc(C#N)cc1 ZINC000342748652 393869626 /nfs/dbraw/zinc/86/96/26/393869626.db2.gz XDUONZCKJLTKBD-WOSRLPQWSA-N 2 0 257.381 2.692 20 30 CFEDRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCCC#N)CC2)C1 ZINC000346326687 393926041 /nfs/dbraw/zinc/92/60/41/393926041.db2.gz YVWOOKUEAZNSJG-GOEBONIOSA-N 2 0 263.429 2.923 20 30 CFEDRP C=C(C)C[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346304387 393926085 /nfs/dbraw/zinc/92/60/85/393926085.db2.gz BNUCGJOAFKUQTJ-UHFFFAOYSA-N 2 0 256.353 2.584 20 30 CFEDRP C=C(C)CC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000352015062 394009519 /nfs/dbraw/zinc/00/95/19/394009519.db2.gz OZNCDXUIZQSPEB-HZPDHXFCSA-N 2 0 280.456 2.774 20 30 CFEDRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccc(C#N)c1 ZINC000423542471 394294927 /nfs/dbraw/zinc/29/49/27/394294927.db2.gz UAKLJYHFUMTFOC-CYBMUJFWSA-N 2 0 255.365 2.519 20 30 CFEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371179960 394298770 /nfs/dbraw/zinc/29/87/70/394298770.db2.gz ZQBPJWWLXZZETE-IRXDYDNUSA-N 2 0 280.456 2.511 20 30 CFEDRP CC1CC[NH+](C[C@H]2CCCN(CCCC#N)C2)CC1 ZINC000154725153 394300800 /nfs/dbraw/zinc/30/08/00/394300800.db2.gz YWFJNKWBUYDDFS-INIZCTEOSA-N 2 0 263.429 2.734 20 30 CFEDRP C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000540705163 394651384 /nfs/dbraw/zinc/65/13/84/394651384.db2.gz BMIOJRTZPRVAQA-OLZOCXBDSA-N 2 0 275.371 2.690 20 30 CFEDRP C=CCCCC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000649401925 395486165 /nfs/dbraw/zinc/48/61/65/395486165.db2.gz JPIYRDZMEYRALU-UHFFFAOYSA-N 2 0 293.499 2.833 20 30 CFEDRP C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650753119 397882442 /nfs/dbraw/zinc/88/24/42/397882442.db2.gz HAZYZFIBZVKMLC-NWDGAFQWSA-N 2 0 250.361 2.975 20 30 CFEDRP C[N@H+](C[C@@H]1CC12CC[NH+](Cc1ccc(C#N)o1)CC2)C1CC1 ZINC000374282737 157093289 /nfs/dbraw/zinc/09/32/89/157093289.db2.gz ISUYBSYDUGIWMU-AWEZNQCLSA-N 2 0 299.418 2.848 20 30 CFEDRP C[N@H+](CCCNCc1nc(C#N)cs1)C1CCCCC1 ZINC000352837445 163247096 /nfs/dbraw/zinc/24/70/96/163247096.db2.gz AHORENLRYQHINT-UHFFFAOYSA-N 2 0 292.452 2.759 20 30 CFEDRP CC1CC[NH+](CCCC[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000352836769 163247910 /nfs/dbraw/zinc/24/79/10/163247910.db2.gz XNJFRLZNRQKGSM-UHFFFAOYSA-N 2 0 292.452 2.616 20 30 CFEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000651674468 413561873 /nfs/dbraw/zinc/56/18/73/413561873.db2.gz QLUJFNDGFMUZHN-KZNAEPCWSA-N 2 0 293.499 2.593 20 30 CFEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000657831787 413983298 /nfs/dbraw/zinc/98/32/98/413983298.db2.gz BLYKUKJNHZKWRE-WMZOPIPTSA-N 2 0 293.499 2.737 20 30 CFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCN(CCCO)C1 ZINC000658026445 414110813 /nfs/dbraw/zinc/11/08/13/414110813.db2.gz UOLXHMSDSCPZPQ-IKGGRYGDSA-N 2 0 280.456 2.558 20 30 CFEDRP C=CCC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658140014 414233438 /nfs/dbraw/zinc/23/34/38/414233438.db2.gz RWIQZIYQRQILKK-CRAIPNDOSA-N 2 0 288.435 2.698 20 30 CFEDRP C=CC[NH+](CC=C)[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000656197122 414531753 /nfs/dbraw/zinc/53/17/53/414531753.db2.gz GOHXBHMCMUMPLK-YESZJQIVSA-N 2 0 279.472 2.545 20 30 CFEDRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449095121 260211022 /nfs/dbraw/zinc/21/10/22/260211022.db2.gz WIXYNMDQTJPFRX-QQFBHYJXSA-N 2 0 263.429 2.780 20 30 CFEDRP C[N@H+](CCCC(C)(C)C#N)C[C@@H]1CCC[NH+](C)C1 ZINC000174864928 261201068 /nfs/dbraw/zinc/20/10/68/261201068.db2.gz ZAWDJMRBTNZNQS-CQSZACIVSA-N 2 0 251.418 2.590 20 30 CFEDRP C[C@@H]1CCC[C@H](C)N1CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000361460220 261280257 /nfs/dbraw/zinc/28/02/57/261280257.db2.gz SXHUQJPFGUPRGD-QKPAOTATSA-N 2 0 263.429 2.921 20 30 CFEDRP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H]3CC[C@H](C#N)C3)C2)n1 ZINC000278560598 263048880 /nfs/dbraw/zinc/04/88/80/263048880.db2.gz IJCFGRKPZPCTKF-HRCADAONSA-N 2 0 284.407 2.816 20 30 CFEDRP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H]3CC[C@@H](C#N)C3)C2)n1 ZINC000278560608 263048950 /nfs/dbraw/zinc/04/89/50/263048950.db2.gz IJCFGRKPZPCTKF-PMPSAXMXSA-N 2 0 284.407 2.816 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000414813755 263053238 /nfs/dbraw/zinc/05/32/38/263053238.db2.gz YQWZBARMFVBRBP-DOTOQJQBSA-N 2 0 274.408 2.859 20 30 CFEDRP C[NH+](C)CCCC1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000340288869 263105236 /nfs/dbraw/zinc/10/52/36/263105236.db2.gz NBUWFTGVZDBKIN-CVEARBPZSA-N 2 0 263.429 2.732 20 30 CFEDRP C[NH+](C)CCCC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000340288874 263105334 /nfs/dbraw/zinc/10/53/34/263105334.db2.gz NBUWFTGVZDBKIN-JKSUJKDBSA-N 2 0 263.429 2.732 20 30 CFEDRP N#C[C@H]1CC[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000293943467 263152641 /nfs/dbraw/zinc/15/26/41/263152641.db2.gz BFKNTSOSUKNJQD-INDMIFKZSA-N 2 0 295.430 2.742 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1Cl ZINC000414954411 263159820 /nfs/dbraw/zinc/15/98/20/263159820.db2.gz KQELZFQJPCVFIJ-SWLSCSKDSA-N 2 0 294.826 2.992 20 30 CFEDRP C=CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000415138266 263275957 /nfs/dbraw/zinc/27/59/57/263275957.db2.gz YSCSYVUJQFPQNR-HOCLYGCPSA-N 2 0 274.408 2.668 20 30 CFEDRP C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)[C@H]1CCC[NH2+]C1 ZINC000423218658 274529336 /nfs/dbraw/zinc/52/93/36/274529336.db2.gz SFAWSBSJZNQTSO-NUTKFTJISA-N 2 0 269.392 2.523 20 30 CFEDRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000423276384 277275064 /nfs/dbraw/zinc/27/50/64/277275064.db2.gz OIJXEGUWAAFVHA-DYVFJYSZSA-N 2 0 271.408 2.771 20 30 CFEDRP C[NH+]1CCC(CC[NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC000123924186 327976163 /nfs/dbraw/zinc/97/61/63/327976163.db2.gz DJXRFOJDEPJDLP-UHFFFAOYSA-N 2 0 297.446 2.932 20 30 CFEDRP CC[NH+](CC)Cc1ccc(C[NH+]=C(N(C)C)N(C)C)cc1 ZINC000264148319 328157866 /nfs/dbraw/zinc/15/78/66/328157866.db2.gz YMUAGUMEMTWYMN-UHFFFAOYSA-N 2 0 290.455 2.508 20 30 CFEDRP CC(C)c1cccc(NC(=[NH2+])NCC2=CC[N@H+](C)CC2)c1 ZINC000271813812 328197677 /nfs/dbraw/zinc/19/76/77/328197677.db2.gz NUIFJFGIOLWQOJ-UHFFFAOYSA-N 2 0 286.423 2.799 20 30 CFEDRP C=CCOc1ccccc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414854628 328241153 /nfs/dbraw/zinc/24/11/53/328241153.db2.gz UMQBUCBUOBSYFK-OAHLLOKOSA-N 2 0 274.408 2.731 20 30 CFEDRP CC(C)c1cccc(NC(=[NH2+])NC[C@@H](C)C[NH+](C)C)c1 ZINC000291869564 328267273 /nfs/dbraw/zinc/26/72/73/328267273.db2.gz HGFCEHMAYYDOHQ-CYBMUJFWSA-N 2 0 276.428 2.734 20 30 CFEDRP Cc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1C#N ZINC000583720720 325306119 /nfs/dbraw/zinc/30/61/19/325306119.db2.gz VRTROSUDGLSKAA-ROUUACIJSA-N 2 0 283.419 2.783 20 30 CFEDRP CC#CCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000155398646 327392423 /nfs/dbraw/zinc/39/24/23/327392423.db2.gz ZKHYQQIMNPSLNR-QGZVFWFLSA-N 2 0 262.441 2.988 20 30 CFEDRP C=CCCC[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000562503281 327485823 /nfs/dbraw/zinc/48/58/23/327485823.db2.gz DJOPDYMROHGWGK-UHFFFAOYSA-N 2 0 256.353 2.632 20 30 CFEDRP C[C@@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)N1CCC(C)CC1 ZINC000185803115 329329194 /nfs/dbraw/zinc/32/91/94/329329194.db2.gz CRZQSPRUOZFWIP-HRCADAONSA-N 2 0 263.429 2.779 20 30 CFEDRP C[C@H]1C[NH+](CCCC[NH2+][C@@H]2CCC[C@H](C#N)C2)C[C@H](C)O1 ZINC000185843003 329330085 /nfs/dbraw/zinc/33/00/85/329330085.db2.gz OOBRQBQGIKCHGU-LUKYLMHMSA-N 2 0 293.455 2.548 20 30 CFEDRP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])C(C)C ZINC000422837700 330157066 /nfs/dbraw/zinc/15/70/66/330157066.db2.gz VEEVWOPJODVXGQ-KZNAEPCWSA-N 2 0 293.499 2.792 20 30 CFEDRP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)C(C)C ZINC000422838400 330157233 /nfs/dbraw/zinc/15/72/33/330157233.db2.gz XDEDMJWLVURVII-KZNAEPCWSA-N 2 0 293.499 2.663 20 30 CFEDRP N#CCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000423093841 330169379 /nfs/dbraw/zinc/16/93/79/330169379.db2.gz IPMWSDPVIRGDPY-QLFBSQMISA-N 2 0 261.413 2.581 20 30 CFEDRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000423157624 330173317 /nfs/dbraw/zinc/17/33/17/330173317.db2.gz MTNLAAMJNIAPLU-VGWMRTNUSA-N 2 0 263.429 2.969 20 30 CFEDRP CC(C)(CC#N)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423171627 330174591 /nfs/dbraw/zinc/17/45/91/330174591.db2.gz PGWPXQKDRSNFQX-CRAIPNDOSA-N 2 0 299.418 2.772 20 30 CFEDRP C=CCCCC[C@@H](C)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423407187 330197044 /nfs/dbraw/zinc/19/70/44/330197044.db2.gz LVUAFTNMLBXQFX-OAHLLOKOSA-N 2 0 268.445 2.727 20 30 CFEDRP CC1(C#N)CCC([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000423421871 330197977 /nfs/dbraw/zinc/19/79/77/330197977.db2.gz KREHRKRFTJDYRV-MSBXVQKDSA-N 2 0 263.429 2.814 20 30 CFEDRP CC[C@@H]([NH3+])C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423455769 330203566 /nfs/dbraw/zinc/20/35/66/330203566.db2.gz CUJMMOYYSFYLGX-KLAILNCOSA-N 2 0 271.408 2.717 20 30 CFEDRP C=CCC[C@@H](CC)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423523965 330210019 /nfs/dbraw/zinc/21/00/19/330210019.db2.gz WMSJBQGIJFVJIU-KLAILNCOSA-N 2 0 279.472 2.537 20 30 CFEDRP C=C(C)C[NH+]1CCC(NCc2ccncc2Cl)CC1 ZINC000527656256 330273152 /nfs/dbraw/zinc/27/31/52/330273152.db2.gz FXENRVGELZIVTN-UHFFFAOYSA-N 2 0 279.815 2.865 20 30 CFEDRP C=CCCCC[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000449074008 330897224 /nfs/dbraw/zinc/89/72/24/330897224.db2.gz AXZVMSHZWYULBS-IAGOWNOFSA-N 2 0 281.488 2.737 20 30 CFEDRP C=CCCCCC[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000451979858 331049434 /nfs/dbraw/zinc/04/94/34/331049434.db2.gz GYBJOHCHROCBIY-UHFFFAOYSA-N 2 0 281.488 2.739 20 30 CFEDRP C(#CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459765263 331299406 /nfs/dbraw/zinc/29/94/06/331299406.db2.gz DHGDWLRJJJRFRV-LMMHAMTPSA-N 2 0 272.436 2.546 20 30 CFEDRP C#C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C(C)(C)C ZINC000491231267 332170854 /nfs/dbraw/zinc/17/08/54/332170854.db2.gz RPVOKZZUTWFYKC-CQSZACIVSA-N 2 0 250.430 2.887 20 30 CFEDRP CC#CCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000309741914 333048404 /nfs/dbraw/zinc/04/84/04/333048404.db2.gz WEDXAFRDLVDTDS-GBESFXJTSA-N 2 0 282.431 2.900 20 30 CFEDRP CC1(C)CC([NH2+][C@H]2CCC[C@H](C#N)C2)CC(C)(C)[NH2+]1 ZINC000192613447 333236811 /nfs/dbraw/zinc/23/68/11/333236811.db2.gz WFEFFEOHUSXPLI-STQMWFEESA-N 2 0 263.429 2.968 20 30 CFEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCC(C)(C)C#N)[C@@H](C)C1 ZINC000247004065 334273739 /nfs/dbraw/zinc/27/37/39/334273739.db2.gz LDFKDYNXGALCDT-LSDHHAIUSA-N 2 0 265.445 2.978 20 30 CFEDRP C[NH+]1CCC(CC[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000158093617 523760147 /nfs/dbraw/zinc/76/01/47/523760147.db2.gz JJFQRCLHQFUSGL-UHFFFAOYSA-N 2 0 275.371 2.519 20 30 CFEDRP C=CCOc1cccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000347078566 526897718 /nfs/dbraw/zinc/89/77/18/526897718.db2.gz WBLCGGAGQMJVQQ-AWEZNQCLSA-N 2 0 274.408 2.811 20 30 CFEDRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)c(C)c2)C1 ZINC000443971905 534955577 /nfs/dbraw/zinc/95/55/77/534955577.db2.gz WXDJIAKLUICVBA-MRXNPFEDSA-N 2 0 271.408 2.688 20 30 CFEDRP C=CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccncc1 ZINC000754796202 574121005 /nfs/dbraw/zinc/12/10/05/574121005.db2.gz SVCKKLYDDYRYFV-ULQDDVLXSA-N 2 0 271.408 2.915 20 30 CFEDRP C[C@@H](CC(C)(C)C#N)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000926557601 618205789 /nfs/dbraw/zinc/20/57/89/618205789.db2.gz CYIVFGIXVDDLIF-ZDUSSCGKSA-N 2 0 251.418 2.779 20 30 CFEDRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000925607174 618295402 /nfs/dbraw/zinc/29/54/02/618295402.db2.gz AHRBXLRUCIYSAJ-KBPBESRZSA-N 2 0 275.371 2.693 20 30 CFEDRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000924862547 618328982 /nfs/dbraw/zinc/32/89/82/618328982.db2.gz RXVBJOYZZOVCDU-KBPBESRZSA-N 2 0 251.418 2.636 20 30 CFEDRP C=CC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccncc1 ZINC000892971671 618787134 /nfs/dbraw/zinc/78/71/34/618787134.db2.gz BVCRNJKZJRUENI-INIZCTEOSA-N 2 0 259.397 2.630 20 30 CFEDRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000925694554 618941397 /nfs/dbraw/zinc/94/13/97/618941397.db2.gz UORFGZRUZVAYGY-KBPBESRZSA-N 2 0 275.371 2.693 20 30 CFEDRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000925797481 619119643 /nfs/dbraw/zinc/11/96/43/619119643.db2.gz OLXIKUJUNAIBKO-TYNCELHUSA-N 2 0 275.371 2.594 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925800558 619121547 /nfs/dbraw/zinc/12/15/47/619121547.db2.gz SQPBCXXPIGQIAW-HLLBOEOZSA-N 2 0 286.419 2.595 20 30 CFEDRP C[NH+]1CCC2(CCC[N@H+](Cc3csc(C#N)c3)C2)CC1 ZINC000894231726 619273627 /nfs/dbraw/zinc/27/36/27/619273627.db2.gz SJDLHCLUSXTKAI-UHFFFAOYSA-N 2 0 289.448 2.928 20 30 CFEDRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000902389472 621061876 /nfs/dbraw/zinc/06/18/76/621061876.db2.gz YEMZHMWIULRWIQ-AWEZNQCLSA-N 2 0 275.371 2.565 20 30 CFEDRP N#CC1CCC(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000903444961 621384125 /nfs/dbraw/zinc/38/41/25/621384125.db2.gz GRSMVWOUGKVCBJ-BACDZXNISA-N 2 0 275.440 2.780 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000903449811 621386324 /nfs/dbraw/zinc/38/63/24/621386324.db2.gz HEWDWIMDZPFFHQ-OAHLLOKOSA-N 2 0 271.408 2.736 20 30 CFEDRP C[N@H+](CCCCCC[NH3+])CC1CCC(C#N)CC1 ZINC000903482357 621392411 /nfs/dbraw/zinc/39/24/11/621392411.db2.gz DQTXFYYPCDMXTA-UHFFFAOYSA-N 2 0 251.418 2.767 20 30 CFEDRP N#CC1(CCCC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CCC1 ZINC000903742470 621434693 /nfs/dbraw/zinc/43/46/93/621434693.db2.gz ACXNFPMDWKMHIM-MRXNPFEDSA-N 2 0 261.413 2.536 20 30 CFEDRP N#CCC[NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000905710104 621825818 /nfs/dbraw/zinc/82/58/18/621825818.db2.gz SRYURSZKUSOBHI-SQNIBIBYSA-N 2 0 283.419 2.790 20 30 CFEDRP C#CCN(C)CCC[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000821214359 622870813 /nfs/dbraw/zinc/87/08/13/622870813.db2.gz RCZGSXMKTNNAAW-UHFFFAOYSA-N 2 0 299.443 2.855 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000921551124 625985116 /nfs/dbraw/zinc/98/51/16/625985116.db2.gz ZOKWJNDGUZTXGB-IAGOWNOFSA-N 2 0 283.419 2.892 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000922283602 626259774 /nfs/dbraw/zinc/25/97/74/626259774.db2.gz FHJKMPJXWIICDD-INIZCTEOSA-N 2 0 285.435 2.997 20 30 CFEDRP N#Cc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)c(C(F)(F)F)c1 ZINC000923480226 626475976 /nfs/dbraw/zinc/47/59/76/626475976.db2.gz GGSGLZFOBPLMMP-NSHDSACASA-N 2 0 297.324 2.748 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923491925 626476696 /nfs/dbraw/zinc/47/66/96/626476696.db2.gz KQTPQGLGTGNSQC-GOEBONIOSA-N 2 0 271.408 2.592 20 30 CFEDRP C=CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000757922834 626567988 /nfs/dbraw/zinc/56/79/88/626567988.db2.gz FSOYUFWUDCYOMW-UHFFFAOYSA-N 2 0 285.435 2.589 20 30 CFEDRP C#CC[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000773733302 627852752 /nfs/dbraw/zinc/85/27/52/627852752.db2.gz XLGGBBJCTXSGHL-UHFFFAOYSA-N 2 0 250.430 2.700 20 30 CFEDRP C=CCCCCC[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000793522409 629561389 /nfs/dbraw/zinc/56/13/89/629561389.db2.gz ADJXUOHNJDDSAN-DLBZAZTESA-N 2 0 281.488 2.737 20 30 CFEDRP C#Cc1ccc(C[NH2+]CCC2CC[NH+](CC)CC2)cc1 ZINC000809622954 631248611 /nfs/dbraw/zinc/24/86/11/631248611.db2.gz OPIWFONMWPBMDV-UHFFFAOYSA-N 2 0 270.420 2.880 20 30 CFEDRP C#CCOc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000809766813 631284375 /nfs/dbraw/zinc/28/43/75/631284375.db2.gz BCXJJFCNQNPJGL-MJGOQNOKSA-N 2 0 298.430 2.615 20 30 CFEDRP N#CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000817918230 632733572 /nfs/dbraw/zinc/73/35/72/632733572.db2.gz KFIQFTIEILZWFI-OKZBNKHCSA-N 2 0 299.418 2.599 20 30 CFEDRP C=CCCCCCC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000817932788 632741392 /nfs/dbraw/zinc/74/13/92/632741392.db2.gz WQHPAVUOZNYOSR-BRWVUGGUSA-N 2 0 280.456 2.870 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000817974923 632773611 /nfs/dbraw/zinc/77/36/11/632773611.db2.gz HSVZEBRTQFYGQS-GJZGRUSLSA-N 2 0 274.408 2.867 20 30 CFEDRP C=CCCCCCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000849076802 633483684 /nfs/dbraw/zinc/48/36/84/633483684.db2.gz XKKLDJFCXJBWCK-HNNXBMFYSA-N 2 0 280.460 2.721 20 30 CFEDRP CCCCCCC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000863540291 637687943 /nfs/dbraw/zinc/68/79/43/637687943.db2.gz RWHWYBJBRZDTBD-HRCADAONSA-N 2 0 268.445 2.704 20 30 CFEDRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000866468273 638826756 /nfs/dbraw/zinc/82/67/56/638826756.db2.gz DGNHWOGCAKWKOO-CVEARBPZSA-N 2 0 263.429 2.779 20 30 CFEDRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000873223107 642076033 /nfs/dbraw/zinc/07/60/33/642076033.db2.gz HUUFQCTXCGEMFC-KRWDZBQOSA-N 2 0 271.408 2.755 20 30 CFEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873255205 642101026 /nfs/dbraw/zinc/10/10/26/642101026.db2.gz DPICRLZOXBQNSZ-FRFSOERESA-N 2 0 269.392 2.653 20 30 CFEDRP CC[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000873269086 642112096 /nfs/dbraw/zinc/11/20/96/642112096.db2.gz LTNYHKFQRPNQNS-CXAGYDPISA-N 2 0 271.408 2.987 20 30 CFEDRP C[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H](C#N)C2)(c2ccccc2)CC1 ZINC000877718657 643482527 /nfs/dbraw/zinc/48/25/27/643482527.db2.gz OGLSIQGZMVXJKY-SJLPKXTDSA-N 2 0 297.446 2.932 20 30 CFEDRP COCC[N@H+](CCCC(C)(C)C#N)CC1CC[NH+](C)CC1 ZINC000879125343 644152287 /nfs/dbraw/zinc/15/22/87/644152287.db2.gz ZGAAHIBNWCSRJW-UHFFFAOYSA-N 2 0 295.471 2.607 20 30 CFEDRP C#CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000092043423 650914152 /nfs/dbraw/zinc/91/41/52/650914152.db2.gz DEIJZBHBAKYXNP-MJGOQNOKSA-N 2 0 298.430 2.615 20 30 CFEDRP CC(C)C[N@H+](CCCCC#N)CC1CC[NH+](C)CC1 ZINC000879702523 644388223 /nfs/dbraw/zinc/38/82/23/644388223.db2.gz OFYPDMCPFPTGIA-UHFFFAOYSA-N 2 0 265.445 2.980 20 30 CFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H](C)CCCC(C)C ZINC000303708962 650999404 /nfs/dbraw/zinc/99/94/04/650999404.db2.gz NKVIQZAKGYMXSM-LSDHHAIUSA-N 2 0 282.476 2.590 20 30 CFEDRP Cc1cccc(NC(=[NH2+])NCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000303787224 651002423 /nfs/dbraw/zinc/00/24/23/651002423.db2.gz SHJGEAOMBZYGEX-OAHLLOKOSA-N 2 0 288.439 2.986 20 30 CFEDRP CC(C)CCNC(=[NH2+])NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000303869753 651004830 /nfs/dbraw/zinc/00/48/30/651004830.db2.gz BAZZXGNPUCVPNJ-HOTGVXAUSA-N 2 0 296.503 2.695 20 30 CFEDRP CC(C)CCNC(=[NH2+])NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000303869757 651004867 /nfs/dbraw/zinc/00/48/67/651004867.db2.gz BAZZXGNPUCVPNJ-HZPDHXFCSA-N 2 0 296.503 2.695 20 30 CFEDRP CC(C)[C@@H](CNC(=[NH2+])N1CCCCC1)[NH+]1CCC(C)CC1 ZINC000303868255 651004940 /nfs/dbraw/zinc/00/49/40/651004940.db2.gz AJOOEPNTONHNKT-MRXNPFEDSA-N 2 0 294.487 2.544 20 30 CFEDRP CCc1cccc(NC(=[NH2+])NCC[N@@H+](C)[C@@H](C)CC)c1 ZINC000303982256 651011489 /nfs/dbraw/zinc/01/14/89/651011489.db2.gz QATWSPKBYMUIEL-ZDUSSCGKSA-N 2 0 276.428 2.706 20 30 CFEDRP C=CCC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)[C@H]1CCCO1 ZINC000883186196 645647844 /nfs/dbraw/zinc/64/78/44/645647844.db2.gz NJHIGDKCVCGVBQ-IAGOWNOFSA-N 2 0 280.456 2.822 20 30 CFEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000304754352 651032279 /nfs/dbraw/zinc/03/22/79/651032279.db2.gz LUYDRXZBUICDQS-MRXNPFEDSA-N 2 0 288.439 2.904 20 30 CFEDRP C=CCC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000883214560 645669036 /nfs/dbraw/zinc/66/90/36/645669036.db2.gz IDAUFQYOYGBPJN-HZPDHXFCSA-N 2 0 280.456 2.822 20 30 CFEDRP CC(C)[NH+](CCCNC(=[NH2+])N1CCC[C@@H](C)C1)C(C)C ZINC000304804862 651035866 /nfs/dbraw/zinc/03/58/66/651035866.db2.gz QVQOAOUMFMQFMI-OAHLLOKOSA-N 2 0 282.476 2.542 20 30 CFEDRP CC[C@@H](CNC(=[NH2+])Nc1cccc(C)c1)[NH+]1CCCC1 ZINC000104166807 647552638 /nfs/dbraw/zinc/55/26/38/647552638.db2.gz OJXVFZKLOKUHSV-HNNXBMFYSA-N 2 0 274.412 2.596 20 30 CFEDRP C=CCN1CCC([NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925547706 648211568 /nfs/dbraw/zinc/21/15/68/648211568.db2.gz COCFUXGBYHVDAT-GOSISDBHSA-N 2 0 287.451 2.707 20 30 CFEDRP C=C(C)C[NH+]1CCC(N[C@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925608955 648237184 /nfs/dbraw/zinc/23/71/84/648237184.db2.gz MNLWSZUSKSRGNX-QAPCUYQASA-N 2 0 287.451 2.705 20 30 CFEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925681951 648278485 /nfs/dbraw/zinc/27/84/85/648278485.db2.gz RCMZTUTVSBTYBJ-QMCVQRASSA-N 2 0 275.440 2.827 20 30 CFEDRP C=CC[C@@H](C)[C@@H](C)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925751996 648308247 /nfs/dbraw/zinc/30/82/47/648308247.db2.gz SUWQROPNJSVDJU-GHMZBOCLSA-N 2 0 265.426 2.561 20 30 CFEDRP CSc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1C#N ZINC000925773479 648317591 /nfs/dbraw/zinc/31/75/91/648317591.db2.gz NVNULQLHDDRNSS-ZFWWWQNUSA-N 2 0 289.448 2.887 20 30 CFEDRP C[C@H](CC(C)(C)C#N)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926337681 648466505 /nfs/dbraw/zinc/46/65/05/648466505.db2.gz RMAFMPHTROUJHT-WLYUNCDWSA-N 2 0 263.429 2.921 20 30 CFEDRP C[NH+](C)C1(C)CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000931355991 649413023 /nfs/dbraw/zinc/41/30/23/649413023.db2.gz XMYLLAPEJGJGCU-UHFFFAOYSA-N 2 0 263.429 2.732 20 30 CFEDRP C[C@@H](c1cccc(C#N)c1)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933732180 649717664 /nfs/dbraw/zinc/71/76/64/649717664.db2.gz LZFFOBJLHOMZNW-RRQGHBQHSA-N 2 0 269.392 2.503 20 30 CFEDRP C[C@@H]1CCCC[N@@H+]1CCCNC(=[NH2+])NC1CCCCCC1 ZINC000305744566 651074080 /nfs/dbraw/zinc/07/40/80/651074080.db2.gz LZOHYLRWQAJNRT-OAHLLOKOSA-N 2 0 294.487 2.878 20 30 CFEDRP CC1CC[NH+](CCCNC(=[NH2+])NC2CCCCCC2)CC1 ZINC000305739657 651074287 /nfs/dbraw/zinc/07/42/87/651074287.db2.gz BVZZSKDHWUPUJR-UHFFFAOYSA-N 2 0 294.487 2.736 20 30 CFEDRP C[C@@H](CNC(=[NH2+])NC1CCCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000305747780 651074502 /nfs/dbraw/zinc/07/45/02/651074502.db2.gz TYSWVLBWCTXXIQ-CABCVRRESA-N 2 0 294.487 2.734 20 30 CFEDRP CC(C)C[C@@H](CNC(=[NH2+])NC1CCCCCC1)[NH+](C)C ZINC000305749836 651074519 /nfs/dbraw/zinc/07/45/19/651074519.db2.gz YAVOLVQQGABHRV-HNNXBMFYSA-N 2 0 282.476 2.590 20 30 CFEDRP C#CCN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168011786 777616036 /nfs/dbraw/zinc/61/60/36/777616036.db2.gz SJTTUUFXQROLBC-SCAQPMJSSA-N 2 0 256.393 2.651 20 30 CFEDRP CCCCCCC[N@@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235007666 778353831 /nfs/dbraw/zinc/35/38/31/778353831.db2.gz PAVNFJGWAKKMSB-MRXNPFEDSA-N 2 0 268.445 2.659 20 30 CFEDRP N#Cc1ccc(CC[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235233403 778424338 /nfs/dbraw/zinc/42/43/38/778424338.db2.gz POSYJQMUHOJZLN-LJQANCHMSA-N 2 0 297.446 2.955 20 30 CFEDRP C[NH+](C)C1CCC([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001168327422 778434296 /nfs/dbraw/zinc/43/42/96/778434296.db2.gz NPKSLOAISLYQKD-UJIFDXPISA-N 2 0 261.413 2.626 20 30 CFEDRP C[NH+](C)CC1CC[NH+](Cc2ccccc2CC#N)CC1 ZINC001235524134 778511917 /nfs/dbraw/zinc/51/19/17/778511917.db2.gz ZOUGTTNUZSKTAO-UHFFFAOYSA-N 2 0 271.408 2.526 20 30 CFEDRP [NH3+]CCC1C[NH+](Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001235918218 778608644 /nfs/dbraw/zinc/60/86/44/778608644.db2.gz BVJXMDXXALIEEY-UHFFFAOYSA-N 2 0 290.410 2.867 20 30 CFEDRP C=C(Br)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000161378837 778629933 /nfs/dbraw/zinc/62/99/33/778629933.db2.gz LLIBISDQKCATAX-UHFFFAOYSA-N 2 0 296.212 2.549 20 30 CFEDRP C=CCCCCCCCC[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235994665 778645085 /nfs/dbraw/zinc/64/50/85/778645085.db2.gz ZWYZJGIQYKYHSR-SJPCQFCGSA-N 2 0 280.456 2.809 20 30 CFEDRP N#Cc1c(Cl)cccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320615 778778022 /nfs/dbraw/zinc/77/80/22/778778022.db2.gz RPDNPHNAHAGMDW-BETUJISGSA-N 2 0 289.810 2.643 20 30 CFEDRP CCc1cc(C#N)ccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321858 778779189 /nfs/dbraw/zinc/77/91/89/778779189.db2.gz RDMYJSBFMWVGQV-HDICACEKSA-N 2 0 283.419 2.552 20 30 CFEDRP CCc1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccc1C#N ZINC001236322017 778779526 /nfs/dbraw/zinc/77/95/26/778779526.db2.gz ROZAIVFDBXMXHZ-HDICACEKSA-N 2 0 283.419 2.552 20 30 CFEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC001236820334 778954038 /nfs/dbraw/zinc/95/40/38/778954038.db2.gz QPZSJSSUNQEBJS-TWMKSMIVSA-N 2 0 260.425 2.958 20 30 CFEDRP C=CC[NH+](CC=C)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236890572 778975481 /nfs/dbraw/zinc/97/54/81/778975481.db2.gz QJKBHYHGBYFCOM-UHFFFAOYSA-N 2 0 285.435 2.612 20 30 CFEDRP N#Cc1ccc(CCC[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237381222 779088303 /nfs/dbraw/zinc/08/83/03/779088303.db2.gz IHXLNLDESSXBBG-QZTJIDSGSA-N 2 0 283.419 2.565 20 30 CFEDRP C=CCc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1O ZINC001237391122 779092566 /nfs/dbraw/zinc/09/25/66/779092566.db2.gz KNDXJDVJJXGABB-NVXWUHKLSA-N 2 0 286.419 2.695 20 30 CFEDRP CCc1cc(C[N@H+](CC)CCn2ccnc2)ccc1C#N ZINC001238767303 779385220 /nfs/dbraw/zinc/38/52/20/779385220.db2.gz AECVMUMHBYSTQW-UHFFFAOYSA-N 2 0 282.391 2.839 20 30 CFEDRP N#Cc1cc(-c2ccc3c(c2)C[NH2+]C3)cc(C2C[NH2+]C2)c1 ZINC001240350928 780102286 /nfs/dbraw/zinc/10/22/86/780102286.db2.gz HXDBXVVHYZKWON-UHFFFAOYSA-N 2 0 275.355 2.515 20 30 CFEDRP N#Cc1cc(-c2cccc(C[NH3+])c2F)cc(C2C[NH2+]C2)c1 ZINC001240360290 780113750 /nfs/dbraw/zinc/11/37/50/780113750.db2.gz DNGSRFQXCBHRNG-UHFFFAOYSA-N 2 0 281.334 2.510 20 30 CFEDRP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000700820363 780726609 /nfs/dbraw/zinc/72/66/09/780726609.db2.gz XHQMENCLDZWPCA-ZIAGYGMSSA-N 2 0 251.418 2.636 20 30 CFEDRP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000700820357 780727134 /nfs/dbraw/zinc/72/71/34/780727134.db2.gz XHQMENCLDZWPCA-KBPBESRZSA-N 2 0 251.418 2.636 20 30 CFEDRP Cc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1C#N ZINC000701860893 780849207 /nfs/dbraw/zinc/84/92/07/780849207.db2.gz KTGDFGBVJVYFHH-CQSZACIVSA-N 2 0 271.408 2.687 20 30 CFEDRP N#Cc1ncccc1-c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001242311933 781388947 /nfs/dbraw/zinc/38/89/47/781388947.db2.gz KPAOLWNTXQUMCS-UHFFFAOYSA-N 2 0 292.386 2.543 20 30 CFEDRP N#Cc1ccc(C2([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CCC2)cc1 ZINC000594584707 349451701 /nfs/dbraw/zinc/45/17/01/349451701.db2.gz DMGAQJMWFHTYAX-SOLBZPMBSA-N 2 0 295.430 2.915 20 30 CFEDRP CC(C)(CCC#N)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594953371 349526347 /nfs/dbraw/zinc/52/63/47/349526347.db2.gz IGHBKPREPOFGSR-UHFFFAOYSA-N 2 0 283.379 2.687 20 30 CFEDRP C=CCCSCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000594959762 349530276 /nfs/dbraw/zinc/53/02/76/349530276.db2.gz CLDWMGUBFQFZIZ-KGLIPLIRSA-N 2 0 254.443 2.512 20 30 CFEDRP N#Cc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000595001123 349544271 /nfs/dbraw/zinc/54/42/71/349544271.db2.gz RJYNRVBTJAIOII-UHFFFAOYSA-N 2 0 283.419 2.770 20 30 CFEDRP C=CCCSCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000595059194 349570579 /nfs/dbraw/zinc/57/05/79/349570579.db2.gz MJJZXEYXBFEYFK-KFWWJZLASA-N 2 0 268.470 2.758 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000595375850 349612073 /nfs/dbraw/zinc/61/20/73/349612073.db2.gz FAKHJLLJVFLCDR-YJBOKZPZSA-N 2 0 285.435 2.763 20 30 CFEDRP C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cc(C#N)ccc1F)C2 ZINC000595508213 349645529 /nfs/dbraw/zinc/64/55/29/349645529.db2.gz VSYMQWCVYLLBRE-KRWDZBQOSA-N 2 0 287.382 2.615 20 30 CFEDRP CC[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000423321081 529590631 /nfs/dbraw/zinc/59/06/31/529590631.db2.gz GBWOTUKVIAKOPF-INIZCTEOSA-N 2 0 271.408 2.989 20 30 CFEDRP CC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423244146 529606220 /nfs/dbraw/zinc/60/62/20/529606220.db2.gz HIKPNBRIPNSMDC-ZBFHGGJFSA-N 2 0 257.381 2.599 20 30 CFEDRP N#Cc1ccc(CC[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000595901296 349765290 /nfs/dbraw/zinc/76/52/90/349765290.db2.gz UWWOJDNMHSXUMZ-LJQANCHMSA-N 2 0 297.446 2.812 20 30 CFEDRP N#C[C@@H]1CCC[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000596649372 349967779 /nfs/dbraw/zinc/96/77/79/349967779.db2.gz ZLGZDQNJAPGCQI-BZZMCLGOSA-N 2 0 283.419 2.804 20 30 CFEDRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000080374351 347356257 /nfs/dbraw/zinc/35/62/57/347356257.db2.gz OVBOYWJCYICGDT-UHFFFAOYSA-N 2 0 289.423 2.999 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)[C@H]1CCC[NH2+]C1 ZINC000591578093 349032077 /nfs/dbraw/zinc/03/20/77/349032077.db2.gz XZGGAYZRQMKPBB-QANKJYHBSA-N 2 0 283.419 2.913 20 30 CFEDRP CC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000591578304 349032172 /nfs/dbraw/zinc/03/21/72/349032172.db2.gz NEBHGGIHWDJYMA-JKSUJKDBSA-N 2 0 257.381 2.741 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000591582626 349032826 /nfs/dbraw/zinc/03/28/26/349032826.db2.gz PMJIVNXLSDIMPI-SFHVURJKSA-N 2 0 281.403 2.835 20 30 CFEDRP CC(C)C[N@H+](C)CCC[NH2+]CC(C)(C)CCC#N ZINC000593646405 349302923 /nfs/dbraw/zinc/30/29/23/349302923.db2.gz PAUMRWLRYVKNPM-UHFFFAOYSA-N 2 0 253.434 2.884 20 30 CFEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)CC2 ZINC000593323662 349247203 /nfs/dbraw/zinc/24/72/03/349247203.db2.gz SRLPIFFQJWFYOV-SFHVURJKSA-N 2 0 295.361 2.933 20 30 CFEDRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000593646943 349303936 /nfs/dbraw/zinc/30/39/36/349303936.db2.gz UKGIKRGDQPVKPK-CABCVRRESA-N 2 0 251.418 2.636 20 30 CFEDRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000593646945 349304179 /nfs/dbraw/zinc/30/41/79/349304179.db2.gz UKGIKRGDQPVKPK-HUUCEWRRSA-N 2 0 251.418 2.636 20 30 CFEDRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597009803 350015050 /nfs/dbraw/zinc/01/50/50/350015050.db2.gz LKAOAZHMBPCIPC-INIZCTEOSA-N 2 0 283.419 2.625 20 30 CFEDRP Cc1ccc(CCC[N@@H+]2CCC[C@@H](CC#N)C2)cn1 ZINC000597178488 350045272 /nfs/dbraw/zinc/04/52/72/350045272.db2.gz YKSRWSPDKSHBNW-INIZCTEOSA-N 2 0 257.381 2.948 20 30 CFEDRP N#Cc1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000598679297 350309565 /nfs/dbraw/zinc/30/95/65/350309565.db2.gz FJCCCHCNKZPIPY-FUHWJXTLSA-N 2 0 283.419 2.770 20 30 CFEDRP C[N@@H+]1CCCC[C@H](CNCc2ccc(C#N)cc2F)C1 ZINC000598994470 350356139 /nfs/dbraw/zinc/35/61/39/350356139.db2.gz NWKSHQALKWMLGO-CQSZACIVSA-N 2 0 275.371 2.519 20 30 CFEDRP C[N@@H+]1CCCC[C@H](CNCc2ccc(C#N)c(F)c2)C1 ZINC000598994030 350356464 /nfs/dbraw/zinc/35/64/64/350356464.db2.gz FXBOVSNPJZOMDS-CQSZACIVSA-N 2 0 275.371 2.519 20 30 CFEDRP C[N@@H+]1CCC[C@@H]1CCN1CCc2c(CC#N)cccc2C1 ZINC000599678581 350479892 /nfs/dbraw/zinc/47/98/92/350479892.db2.gz WDVFINDMHIUSBO-QGZVFWFLSA-N 2 0 283.419 2.595 20 30 CFEDRP N#Cc1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)o1 ZINC000600769618 350607684 /nfs/dbraw/zinc/60/76/84/350607684.db2.gz PQMYVHBEMRQNSX-INIZCTEOSA-N 2 0 269.348 2.721 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cccc(C#N)c1 ZINC000602022877 350835198 /nfs/dbraw/zinc/83/51/98/350835198.db2.gz WNLWWKHNOFMEGV-XJKSGUPXSA-N 2 0 271.408 2.987 20 30 CFEDRP C[C@H](CCC#N)C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000602548210 350919947 /nfs/dbraw/zinc/91/99/47/350919947.db2.gz RZMJEOYWSYTGLW-CYBMUJFWSA-N 2 0 277.387 2.917 20 30 CFEDRP C[C@H](CCC#N)C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000602592677 350939087 /nfs/dbraw/zinc/93/90/87/350939087.db2.gz JVYUPZBOUWGGHA-CQSZACIVSA-N 2 0 259.397 2.778 20 30 CFEDRP C[C@H](CCC#N)C[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC000602722197 351000641 /nfs/dbraw/zinc/00/06/41/351000641.db2.gz YRFZRHSLJJSIAY-GDBMZVCRSA-N 2 0 263.429 2.923 20 30 CFEDRP C[NH+]1CCC2(CC[N@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC000602876625 351055400 /nfs/dbraw/zinc/05/54/00/351055400.db2.gz HNAKCMJEQHLDBY-UHFFFAOYSA-N 2 0 287.382 2.615 20 30 CFEDRP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccc(C#N)c1 ZINC000611388853 351679139 /nfs/dbraw/zinc/67/91/39/351679139.db2.gz KUQVCMNTOPUJLX-BBRMVZONSA-N 2 0 257.381 2.693 20 30 CFEDRP N#C[C@@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000334614798 283056958 /nfs/dbraw/zinc/05/69/58/283056958.db2.gz RGSTYBVOHGYYLD-QVOMUQBLSA-N 2 0 261.413 2.675 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000423549229 283199241 /nfs/dbraw/zinc/19/92/41/283199241.db2.gz NDFIDBVRSDMKET-LISAXSMJSA-N 2 0 281.403 2.523 20 30 CFEDRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1cccc(C#N)c1 ZINC000422965638 237394334 /nfs/dbraw/zinc/39/43/34/237394334.db2.gz PBNBYHJVKKAPAC-KSSFIOAISA-N 2 0 279.387 2.606 20 30 CFEDRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000423326472 238379540 /nfs/dbraw/zinc/37/95/40/238379540.db2.gz KPXOANYUSPWROB-LBPRGKRZSA-N 2 0 275.371 2.738 20 30 CFEDRP Cc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)ccc1C#N ZINC000443989086 241102576 /nfs/dbraw/zinc/10/25/76/241102576.db2.gz KAQIAAZIWBMPSX-CQSZACIVSA-N 2 0 271.408 2.688 20 30 CFEDRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000423327641 296117593 /nfs/dbraw/zinc/11/75/93/296117593.db2.gz LMTZZJUGWXIXAG-CYBMUJFWSA-N 2 0 257.381 2.599 20 30 CFEDRP Cc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccc1C#N ZINC000459787794 245326248 /nfs/dbraw/zinc/32/62/48/245326248.db2.gz QAHNWRNQQZILGB-OAHLLOKOSA-N 2 0 271.408 2.688 20 30 CFEDRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000264103474 383697102 /nfs/dbraw/zinc/69/71/02/383697102.db2.gz OUADRCQPMPMBEO-CQSZACIVSA-N 2 0 276.428 2.760 20 30 CFEDRP C[C@H](CNC(=[NH2+])Nc1ccccc1)[N@@H+]1CCC[C@H](C)C1 ZINC000264115597 383697965 /nfs/dbraw/zinc/69/79/65/383697965.db2.gz SNJZMDUWOZRBIN-UONOGXRCSA-N 2 0 274.412 2.534 20 30 CFEDRP N#Cc1ccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000129926122 377490160 /nfs/dbraw/zinc/49/01/60/377490160.db2.gz UJVWRENRMSSSIT-ZDUSSCGKSA-N 2 0 275.421 2.537 20 30 CFEDRP N#CCSCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000134906083 378062777 /nfs/dbraw/zinc/06/27/77/378062777.db2.gz MXWVYDLDOSYBKW-HOCLYGCPSA-N 2 0 293.480 2.582 20 30 CFEDRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCCC#N ZINC000348309307 284690338 /nfs/dbraw/zinc/69/03/38/284690338.db2.gz FQWMZBKGWBGPJD-LSDHHAIUSA-N 2 0 251.418 2.780 20 30 CFEDRP C=CC[NH+](CC=C)[C@@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000152066174 378390085 /nfs/dbraw/zinc/39/00/85/378390085.db2.gz FBSJWBYALGGIEI-SQNIBIBYSA-N 2 0 293.499 2.757 20 30 CFEDRP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)(C#N)CC2)CN1C1CC1 ZINC000334735795 379848706 /nfs/dbraw/zinc/84/87/06/379848706.db2.gz PUQTYKADXWAFSW-ILTLLKDXSA-N 2 0 261.413 2.674 20 30 CFEDRP C=CCCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000342311352 381270093 /nfs/dbraw/zinc/27/00/93/381270093.db2.gz IJUARYZFHARFTG-UHFFFAOYSA-N 2 0 266.429 2.529 20 30 CFEDRP C=CCOCCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000348056913 381458580 /nfs/dbraw/zinc/45/85/80/381458580.db2.gz OSXUBPBITNOQBO-INIZCTEOSA-N 2 0 266.429 2.529 20 30 CFEDRP Cc1nccn1-c1ccc([C@H](C)NCCC#N)cc1 ZINC000348367853 381536442 /nfs/dbraw/zinc/53/64/42/381536442.db2.gz FUTHGMTUVBYFTR-LBPRGKRZSA-N 2 0 254.337 2.745 20 30 CFEDRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000349826871 381993026 /nfs/dbraw/zinc/99/30/26/381993026.db2.gz FIDNUABOUARXCY-HZPDHXFCSA-N 2 0 257.381 2.530 20 30 CFEDRP C=C(C)CC[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000351819499 382063678 /nfs/dbraw/zinc/06/36/78/382063678.db2.gz ASMZUBQHUOMQNP-CVEARBPZSA-N 2 0 268.445 2.679 20 30 CFEDRP C=CCC[C@H](CO)[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000320647572 382539024 /nfs/dbraw/zinc/53/90/24/382539024.db2.gz OKBHIXBFVHBBJX-ZWKOTPCHSA-N 2 0 288.435 2.568 20 30 CFEDRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ccc1C#N ZINC000353611983 382576859 /nfs/dbraw/zinc/57/68/59/382576859.db2.gz PUWXGGWYRBWERV-BBWFWOEESA-N 2 0 299.418 2.529 20 30 CFEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000358308616 382560456 /nfs/dbraw/zinc/56/04/56/382560456.db2.gz KAJNRWDXDAYFGX-HSMVNMDESA-N 2 0 275.371 2.516 20 30 CFEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000190772142 382680309 /nfs/dbraw/zinc/68/03/09/382680309.db2.gz FQCYYGHKXMXYSI-OAHLLOKOSA-N 2 0 288.439 2.641 20 30 CFEDRP C=CCCCCC[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000193345305 382719013 /nfs/dbraw/zinc/71/90/13/382719013.db2.gz JFXGSMXFVGKTMK-QGZVFWFLSA-N 2 0 280.456 2.777 20 30 CFEDRP CC[C@@H]([NH2+]CCC[NH2+]C(C)C)c1ccc(C#N)cc1 ZINC000576099161 382810051 /nfs/dbraw/zinc/81/00/51/382810051.db2.gz BOSDRWFKGJTLBF-MRXNPFEDSA-N 2 0 259.397 2.987 20 30 CFEDRP C=CCOc1ccccc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442918496 382963745 /nfs/dbraw/zinc/96/37/45/382963745.db2.gz GYVJJTVVPSLXLN-HNNXBMFYSA-N 2 0 274.408 2.812 20 30 CFEDRP C[N@H+](CCC[NH2+][C@@H]1CC[C@@H](C#N)C1)Cc1ccccc1 ZINC000442635615 382940199 /nfs/dbraw/zinc/94/01/99/382940199.db2.gz KCSPZMSUFRVBED-IAGOWNOFSA-N 2 0 271.408 2.790 20 30 CFEDRP C[N@H+](CCC[NH2+][C@H]1CC[C@@H](C#N)C1)C1CCCCC1 ZINC000442650615 382940843 /nfs/dbraw/zinc/94/08/43/382940843.db2.gz OEQWQDVLTMRBMA-CABCVRRESA-N 2 0 263.429 2.923 20 30 CFEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442713762 382948577 /nfs/dbraw/zinc/94/85/77/382948577.db2.gz WXHCUEUHQQCHMH-BZUAXINKSA-N 2 0 263.429 2.923 20 30 CFEDRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423276383 383055540 /nfs/dbraw/zinc/05/55/40/383055540.db2.gz OIJXEGUWAAFVHA-CXAGYDPISA-N 2 0 271.408 2.771 20 30 CFEDRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000423033510 383022748 /nfs/dbraw/zinc/02/27/48/383022748.db2.gz ONGRSHRZGRWXFX-NEPJUHHUSA-N 2 0 263.360 2.865 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)[C@@H]2CCC[C@H]21 ZINC000564656449 383170695 /nfs/dbraw/zinc/17/06/95/383170695.db2.gz RGLUAMQDTYLTTE-OKZBNKHCSA-N 2 0 283.419 2.715 20 30 CFEDRP C=CCC[C@H](O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247680112 383190766 /nfs/dbraw/zinc/19/07/66/383190766.db2.gz ZPALJJFKTKLWEI-SQNIBIBYSA-N 2 0 294.483 2.900 20 30 CFEDRP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(C#N)cc1 ZINC000424381073 383205264 /nfs/dbraw/zinc/20/52/64/383205264.db2.gz YEKUEJMTJQMSSY-BZUAXINKSA-N 2 0 257.381 2.869 20 30 CFEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000516174712 383162563 /nfs/dbraw/zinc/16/25/63/383162563.db2.gz QDQSGINDLRTPIP-CXHZTBPHSA-N 2 0 297.402 2.524 20 30 CFEDRP Cn1ccnc1[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000568583646 383415480 /nfs/dbraw/zinc/41/54/80/383415480.db2.gz CCWMBRJSWNWUCY-OAHLLOKOSA-N 2 0 299.805 2.915 20 30 CFEDRP C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449524201 383353437 /nfs/dbraw/zinc/35/34/37/383353437.db2.gz ZMYBTEWFFGKFLE-HPBDAGMYSA-N 2 0 292.467 2.963 20 30 CFEDRP C=CC[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471842830 383379988 /nfs/dbraw/zinc/37/99/88/383379988.db2.gz DKUUOEKKUWWCFN-SJORKVTESA-N 2 0 258.409 2.845 20 30 CFEDRP CC[NH2+]CCC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000568740825 383430901 /nfs/dbraw/zinc/43/09/01/383430901.db2.gz VLICTJGEVBUALY-QGZVFWFLSA-N 2 0 271.408 2.915 20 30 CFEDRP C=CCC[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)C1CC1 ZINC000635008266 383464467 /nfs/dbraw/zinc/46/44/67/383464467.db2.gz IOUGEBHICONZBM-INIZCTEOSA-N 2 0 286.423 2.648 20 30 CFEDRP N#Cc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)s1 ZINC000278297353 384521625 /nfs/dbraw/zinc/52/16/25/384521625.db2.gz CIJVQTGAEWOWTI-UHFFFAOYSA-N 2 0 275.421 2.584 20 30 CFEDRP C#CCCOc1ccc(C[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)cc1 ZINC000268139296 384541049 /nfs/dbraw/zinc/54/10/49/384541049.db2.gz SDFPOPRUSHEFSR-KXBFYZLASA-N 2 0 298.430 2.661 20 30 CFEDRP C[C@@H]([NH2+]CCCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272496959 385552595 /nfs/dbraw/zinc/55/25/95/385552595.db2.gz NLSWJUAGVLBELC-WBVHZDCISA-N 2 0 271.408 2.790 20 30 CFEDRP CC(C)([NH3+])C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000335598745 393682955 /nfs/dbraw/zinc/68/29/55/393682955.db2.gz MCRGKJWYIBPDPW-HNNXBMFYSA-N 2 0 257.381 2.653 20 30 CFEDRP C=CCC[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000338564997 393791148 /nfs/dbraw/zinc/79/11/48/393791148.db2.gz VALZWAGBVHHFRI-UHFFFAOYSA-N 2 0 268.445 2.633 20 30 CFEDRP CC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000423534589 394293093 /nfs/dbraw/zinc/29/30/93/394293093.db2.gz AJLYTAJACQWPHF-QGZVFWFLSA-N 2 0 269.392 2.909 20 30 CFEDRP C=CC(C)(C)C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000648733039 395289742 /nfs/dbraw/zinc/28/97/42/395289742.db2.gz QSTJVCJMXQUTJP-UHFFFAOYSA-N 2 0 276.424 2.929 20 30 CFEDRP C=C(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000647793836 395431160 /nfs/dbraw/zinc/43/11/60/395431160.db2.gz JPDGETNPYCKSRC-GVDBMIGSSA-N 2 0 256.393 2.678 20 30 CFEDRP CSC1(C[NH2+]Cc2cc(C#N)cs2)CC[NH+](C)CC1 ZINC000353222418 163320371 /nfs/dbraw/zinc/32/03/71/163320371.db2.gz GSTMOFQADFQKHX-UHFFFAOYSA-N 2 0 295.477 2.537 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1CCCC1)CC2 ZINC000353390490 163357834 /nfs/dbraw/zinc/35/78/34/163357834.db2.gz UWVQTTYNNBBTNR-QGZVFWFLSA-N 2 0 269.392 2.621 20 30 CFEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000651705582 413583155 /nfs/dbraw/zinc/58/31/55/413583155.db2.gz XXVNEFREIIEWOC-KZNAEPCWSA-N 2 0 293.499 2.594 20 30 CFEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000651713830 413585514 /nfs/dbraw/zinc/58/55/14/413585514.db2.gz GLVDKMIMVFYSPZ-ZACQAIPSSA-N 2 0 280.456 2.558 20 30 CFEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000657872648 414015573 /nfs/dbraw/zinc/01/55/73/414015573.db2.gz OQURWTKIPGUEAD-ZWKOTPCHSA-N 2 0 293.499 2.739 20 30 CFEDRP CCC[N@H+](Cc1cccc(C#N)c1)C1CC[NH2+]CC1 ZINC000037538943 173258719 /nfs/dbraw/zinc/25/87/19/173258719.db2.gz VXTABPOSKHYECA-UHFFFAOYSA-N 2 0 257.381 2.522 20 30 CFEDRP CCc1cccc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000104174476 260620735 /nfs/dbraw/zinc/62/07/35/260620735.db2.gz BIBADFZDVVHHBC-CQSZACIVSA-N 2 0 288.439 2.708 20 30 CFEDRP C[NH+](C)CCC1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000119665939 260634996 /nfs/dbraw/zinc/63/49/96/260634996.db2.gz BHANKXUKZGFJNA-UHFFFAOYSA-N 2 0 251.418 2.590 20 30 CFEDRP C#CC[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364351732 262213572 /nfs/dbraw/zinc/21/35/72/262213572.db2.gz HNJRLMFAUJYAPH-BQFCYCMXSA-N 2 0 270.420 2.898 20 30 CFEDRP C=CCCCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000373020282 262282662 /nfs/dbraw/zinc/28/26/62/262282662.db2.gz KLCARYJSFBGRKM-GVDBMIGSSA-N 2 0 280.456 2.822 20 30 CFEDRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC(C)(C)C#N)C1 ZINC000336803264 262395877 /nfs/dbraw/zinc/39/58/77/262395877.db2.gz XROHHEFIRNAZLH-OAHLLOKOSA-N 2 0 263.429 2.590 20 30 CFEDRP C[NH+](C)CC1(CNC(=[NH2+])Nc2ccccc2)CCCC1 ZINC000273531665 263017808 /nfs/dbraw/zinc/01/78/08/263017808.db2.gz YZEXYGPUUYILKR-UHFFFAOYSA-N 2 0 274.412 2.535 20 30 CFEDRP C=CCOc1cccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000414814648 263053540 /nfs/dbraw/zinc/05/35/40/263053540.db2.gz ZNDLXPSDPMGUBV-WBVHZDCISA-N 2 0 274.408 2.859 20 30 CFEDRP C=CCOc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000414827373 263056099 /nfs/dbraw/zinc/05/60/99/263056099.db2.gz BKTRANQYKWDWCV-HNNXBMFYSA-N 2 0 274.408 2.731 20 30 CFEDRP C=CCOc1cccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000414844286 263058367 /nfs/dbraw/zinc/05/83/67/263058367.db2.gz DMKNXPMSNCATLJ-HNNXBMFYSA-N 2 0 274.408 2.731 20 30 CFEDRP C=CCOc1ccccc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414982072 263180385 /nfs/dbraw/zinc/18/03/85/263180385.db2.gz YHDYJGCEXGYOCU-MRXNPFEDSA-N 2 0 274.408 2.873 20 30 CFEDRP C=CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000415124985 263274044 /nfs/dbraw/zinc/27/40/44/263274044.db2.gz KUCDWMILLRRQAU-GDBMZVCRSA-N 2 0 274.408 2.668 20 30 CFEDRP C=CCCC[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000341133840 263323659 /nfs/dbraw/zinc/32/36/59/263323659.db2.gz WXVQMNUJNLNUPK-BZSNNMDCSA-N 2 0 293.499 2.689 20 30 CFEDRP C=CCC[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCCC)CC1 ZINC000128837179 264307799 /nfs/dbraw/zinc/30/77/99/264307799.db2.gz JCZAYCJAIDYWMW-KRWDZBQOSA-N 2 0 282.472 2.757 20 30 CFEDRP C=CCN1CCC([NH2+][C@H](C)c2cc(C)ccn2)CC1 ZINC000353504136 266039452 /nfs/dbraw/zinc/03/94/52/266039452.db2.gz QDTFOAUNVWOMQT-CQSZACIVSA-N 2 0 259.397 2.691 20 30 CFEDRP C=CCCC[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000369402905 267240600 /nfs/dbraw/zinc/24/06/00/267240600.db2.gz INYMNRRZAWPLQF-UHFFFAOYSA-N 2 0 266.429 2.528 20 30 CFEDRP C[NH+](C)CCCC1CC[NH+](CCCSCC#N)CC1 ZINC000123290930 268021006 /nfs/dbraw/zinc/02/10/06/268021006.db2.gz KUBQTVFDCUATNY-UHFFFAOYSA-N 2 0 283.485 2.687 20 30 CFEDRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000423276385 273966597 /nfs/dbraw/zinc/96/65/97/273966597.db2.gz OIJXEGUWAAFVHA-GUYCJALGSA-N 2 0 271.408 2.771 20 30 CFEDRP C#Cc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000290609465 275387177 /nfs/dbraw/zinc/38/71/77/275387177.db2.gz WJIZBIHEUUDPPR-ROUUACIJSA-N 2 0 268.404 2.584 20 30 CFEDRP CC[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000278696249 276636091 /nfs/dbraw/zinc/63/60/91/276636091.db2.gz KQYLGPODXWHKPL-INIZCTEOSA-N 2 0 259.397 2.941 20 30 CFEDRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000414170728 277073855 /nfs/dbraw/zinc/07/38/55/277073855.db2.gz CGFBPOSOYMPSCZ-KDOFPFPSSA-N 2 0 283.419 2.867 20 30 CFEDRP C[NH2+]CCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000423198646 277268738 /nfs/dbraw/zinc/26/87/38/277268738.db2.gz GZGXDGBJJMZQEC-INIZCTEOSA-N 2 0 257.381 2.525 20 30 CFEDRP CC[NH+]1CCC(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000558503845 281984027 /nfs/dbraw/zinc/98/40/27/281984027.db2.gz FJMPUZMEXGLDFE-GOSISDBHSA-N 2 0 283.419 2.867 20 30 CFEDRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423265229 289961234 /nfs/dbraw/zinc/96/12/34/289961234.db2.gz ZSNQZRHJHSLZFO-ZFWWWQNUSA-N 2 0 257.381 2.599 20 30 CFEDRP C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000271531767 328196862 /nfs/dbraw/zinc/19/68/62/328196862.db2.gz WXOQCGYSXPJHBS-DEYYWGMASA-N 2 0 299.418 2.722 20 30 CFEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000570673563 322544834 /nfs/dbraw/zinc/54/48/34/322544834.db2.gz DZPCNIVMHBDTBH-SFHVURJKSA-N 2 0 283.419 2.915 20 30 CFEDRP C[C@@H](CC[NH2+][C@H]1CCC[C@H](C#N)C1)[NH+]1CCCCC1 ZINC000185897931 329334787 /nfs/dbraw/zinc/33/47/87/329334787.db2.gz KZMWCLFREZXVLM-JYJNAYRXSA-N 2 0 263.429 2.923 20 30 CFEDRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(C#N)cc1 ZINC000387300486 324490420 /nfs/dbraw/zinc/49/04/20/324490420.db2.gz JSHRWDVLFLJTBZ-UHFFFAOYSA-N 2 0 259.397 2.768 20 30 CFEDRP CC(C)(C#N)CCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174871520 329164233 /nfs/dbraw/zinc/16/42/33/329164233.db2.gz OOOGWQLETZIEAM-OAHLLOKOSA-N 2 0 263.429 2.734 20 30 CFEDRP C=C(C)CN1CCC([NH2+][C@@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000183801444 329252538 /nfs/dbraw/zinc/25/25/38/329252538.db2.gz NDRJMPVCEVBPKC-AWEZNQCLSA-N 2 0 296.455 2.737 20 30 CFEDRP C=CCC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C1CC1 ZINC000121255546 329551921 /nfs/dbraw/zinc/55/19/21/329551921.db2.gz FJMAXCLKLPUAPH-QAPCUYQASA-N 2 0 292.467 2.822 20 30 CFEDRP C=C(C)C[NH+]1CCC(N[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422982081 330162484 /nfs/dbraw/zinc/16/24/84/330162484.db2.gz VKZXIKKYKWMDNS-ZWKOTPCHSA-N 2 0 285.435 2.761 20 30 CFEDRP C=CCCC[C@@H](C)[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423022790 330165794 /nfs/dbraw/zinc/16/57/94/330165794.db2.gz FWJQRTJAWALMPO-CABCVRRESA-N 2 0 296.455 2.642 20 30 CFEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000423153177 330173090 /nfs/dbraw/zinc/17/30/90/330173090.db2.gz GHFGGAOSLZESPQ-YXAMBPQSSA-N 2 0 255.365 2.803 20 30 CFEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423155249 330173337 /nfs/dbraw/zinc/17/33/37/330173337.db2.gz QIVRMJVYATYLBB-QXSJWSMHSA-N 2 0 266.429 2.620 20 30 CFEDRP CC(C)(CC#N)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423165873 330173841 /nfs/dbraw/zinc/17/38/41/330173841.db2.gz BLWYJVQEOMGFMG-QLFBSQMISA-N 2 0 263.429 2.827 20 30 CFEDRP C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423191923 330176060 /nfs/dbraw/zinc/17/60/60/330176060.db2.gz UECAPMBLPXOMHK-PVAVHDDUSA-N 2 0 258.409 2.904 20 30 CFEDRP C=CCCCC[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000449074010 330897195 /nfs/dbraw/zinc/89/71/95/330897195.db2.gz AXZVMSHZWYULBS-SJORKVTESA-N 2 0 281.488 2.737 20 30 CFEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000521227314 333115727 /nfs/dbraw/zinc/11/57/27/333115727.db2.gz CYQYEQOCGFPECY-HZPDHXFCSA-N 2 0 276.428 2.532 20 30 CFEDRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(C#N)c1 ZINC000423348879 533889063 /nfs/dbraw/zinc/88/90/63/533889063.db2.gz USNZVGJKPDYOFK-BBRMVZONSA-N 2 0 257.381 2.599 20 30 CFEDRP C[NH+](C)CCC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000191957868 524050797 /nfs/dbraw/zinc/05/07/97/524050797.db2.gz WEMKPYZTILHWLB-UHFFFAOYSA-N 2 0 289.398 2.861 20 30 CFEDRP N#Cc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423098780 534805363 /nfs/dbraw/zinc/80/53/63/534805363.db2.gz LKVOTEFRFIYCAT-KSZLIROESA-N 2 0 283.419 2.611 20 30 CFEDRP C=CCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000347078688 526862042 /nfs/dbraw/zinc/86/20/42/526862042.db2.gz WHXIISRXEXVFNL-SJPCQFCGSA-N 2 0 286.419 2.966 20 30 CFEDRP C=C1CC[NH+](Cc2ccccc2N2CC[NH+](CC)CC2)CC1 ZINC000353313134 526905422 /nfs/dbraw/zinc/90/54/22/526905422.db2.gz ZMFQYQRBCUCRBQ-UHFFFAOYSA-N 2 0 299.462 2.981 20 30 CFEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)C#N)[C@@H](C)C1 ZINC000347198372 528667836 /nfs/dbraw/zinc/66/78/36/528667836.db2.gz LKSNCBLPMSJOLS-HOTGVXAUSA-N 2 0 295.471 2.653 20 30 CFEDRP CC(C)[N@H+](C)CCCNCc1ccc(O[C@H](C)C#N)cc1 ZINC000728711702 574105888 /nfs/dbraw/zinc/10/58/88/574105888.db2.gz OCYOCNHNXVCOIF-OAHLLOKOSA-N 2 0 289.423 2.797 20 30 CFEDRP CCCCCCC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000158391515 618054715 /nfs/dbraw/zinc/05/47/15/618054715.db2.gz JPXAYIBBMKVRTG-UHFFFAOYSA-N 2 0 270.461 2.735 20 30 CFEDRP CC1(C)C[C@@H]([NH2+]Cc2cccc(C#N)c2)C[C@@H]([NH3+])C1 ZINC000925608162 618301536 /nfs/dbraw/zinc/30/15/36/618301536.db2.gz ZVMZIGBEVOXDIB-CABCVRRESA-N 2 0 257.381 2.554 20 30 CFEDRP C=CCCC1(C[NH2+][C@@H]2[C@@H]3COC[C@H]2C[C@@H]([NH3+])C3)CCCC1 ZINC000925703823 618957779 /nfs/dbraw/zinc/95/77/79/618957779.db2.gz FPCBYTKLZLGXPQ-WNKDZCFJSA-N 2 0 292.467 2.855 20 30 CFEDRP C=CCCC1(C[NH2+][C@@H]2[C@@H]3COC[C@H]2C[C@H]([NH3+])C3)CCCC1 ZINC000925703821 618957936 /nfs/dbraw/zinc/95/79/36/618957936.db2.gz FPCBYTKLZLGXPQ-GANOOXTDSA-N 2 0 292.467 2.855 20 30 CFEDRP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)C1 ZINC000925885860 619204389 /nfs/dbraw/zinc/20/43/89/619204389.db2.gz AOAGTDKEQPUMIG-SPUZQDLCSA-N 2 0 283.419 2.717 20 30 CFEDRP C[NH+]1CCC2(CCC[N@@H+]2CC#Cc2ccccc2)CC1 ZINC000893854412 619229172 /nfs/dbraw/zinc/22/91/72/619229172.db2.gz ACSLDLVOFIWMNF-UHFFFAOYSA-N 2 0 268.404 2.598 20 30 CFEDRP CCC1([NH+]2CCC2)CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000895821610 619614779 /nfs/dbraw/zinc/61/47/79/619614779.db2.gz FPMABLYVQHZYFV-HNNXBMFYSA-N 2 0 263.429 2.877 20 30 CFEDRP CC(C)[C@@H](CNC(=[NH2+])NC1CCCCCC1)[NH+]1CCCC1 ZINC000305747165 619991989 /nfs/dbraw/zinc/99/19/89/619991989.db2.gz RWJGGQVWBYMZSA-MRXNPFEDSA-N 2 0 294.487 2.734 20 30 CFEDRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000927035554 620444416 /nfs/dbraw/zinc/44/44/16/620444416.db2.gz BEEZTPWVRMGIGF-YHNBSYBMSA-N 2 0 261.413 2.675 20 30 CFEDRP C=CCC[C@H]([NH2+]CCC[NH+](C)C)[C@@]1(C)CCCCO1 ZINC000902720360 621156911 /nfs/dbraw/zinc/15/69/11/621156911.db2.gz IIDFKGFXVOQBBM-JKSUJKDBSA-N 2 0 268.445 2.822 20 30 CFEDRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cc(C#N)ccn1 ZINC000902734383 621161499 /nfs/dbraw/zinc/16/14/99/621161499.db2.gz UQTDNCOYUNLAEH-CQSZACIVSA-N 2 0 294.402 2.866 20 30 CFEDRP CC[C@H]([NH2+]CCCC[NH+](C)C)c1cccc(C#N)c1 ZINC000902780190 621172142 /nfs/dbraw/zinc/17/21/42/621172142.db2.gz CFGIMYFPKCROMO-INIZCTEOSA-N 2 0 259.397 2.941 20 30 CFEDRP CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cccc(C#N)c1 ZINC000902998726 621224473 /nfs/dbraw/zinc/22/44/73/621224473.db2.gz HOWWYIZXDPUIJM-XJKSGUPXSA-N 2 0 259.397 2.797 20 30 CFEDRP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903166721 621278440 /nfs/dbraw/zinc/27/84/40/621278440.db2.gz DESCZRCHLAWXRO-BDFJQQSHSA-N 2 0 290.451 2.715 20 30 CFEDRP C=CC[N@@H+](CCc1ccccc1)C[C@H]1CC[C@@H]([NH3+])C1 ZINC000903432885 621372930 /nfs/dbraw/zinc/37/29/30/621372930.db2.gz PEJCEZPAICMWAQ-DLBZAZTESA-N 2 0 258.409 2.845 20 30 CFEDRP C#CCCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000766895485 624512167 /nfs/dbraw/zinc/51/21/67/624512167.db2.gz KNEJVHZYHASNRC-KRWDZBQOSA-N 2 0 262.441 2.844 20 30 CFEDRP C#CC[C@@H]1CCC[N@@H+](CCCCn2ccnc2C)C1 ZINC000829805084 624545212 /nfs/dbraw/zinc/54/52/12/624545212.db2.gz OLQZINNYXQKZHD-MRXNPFEDSA-N 2 0 259.397 2.707 20 30 CFEDRP C[NH+](C)CC[C@@H]([NH2+]CC(C)(C)CCC#N)c1cccnc1 ZINC000922626988 626327366 /nfs/dbraw/zinc/32/73/66/626327366.db2.gz DQUUZBHMSLJRNU-MRXNPFEDSA-N 2 0 288.439 2.994 20 30 CFEDRP C#C[C@H](C)[N@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000775179241 627998313 /nfs/dbraw/zinc/99/83/13/627998313.db2.gz MAFRQZRVEPPXLX-INIZCTEOSA-N 2 0 286.419 2.615 20 30 CFEDRP C[NH+]1CCN(c2ccc(C=[NH+]OCCC3CC3)cc2)CC1 ZINC000814246859 632045329 /nfs/dbraw/zinc/04/53/29/632045329.db2.gz GGPLGRXMWMFHGM-UHFFFAOYSA-N 2 0 287.407 2.589 20 30 CFEDRP N#CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000817918226 632733310 /nfs/dbraw/zinc/73/33/10/632733310.db2.gz KFIQFTIEILZWFI-FGTMMUONSA-N 2 0 299.418 2.599 20 30 CFEDRP CC[C@H](C#N)Oc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000817918905 632734263 /nfs/dbraw/zinc/73/42/63/632734263.db2.gz NFHPNDSEZOEGEU-FCLJQHQZSA-N 2 0 299.418 2.740 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000817966513 632765393 /nfs/dbraw/zinc/76/53/93/632765393.db2.gz PIVODNUTXBRWIS-MAUKXSAKSA-N 2 0 286.419 2.739 20 30 CFEDRP COc1ccc(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)cc1C#N ZINC000848574534 633293988 /nfs/dbraw/zinc/29/39/88/633293988.db2.gz FJPSFJNAOPZELP-IAGOWNOFSA-N 2 0 299.418 2.673 20 30 CFEDRP C=C(C)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856591323 635834966 /nfs/dbraw/zinc/83/49/66/635834966.db2.gz MQSMPMYONWPVSQ-KRWDZBQOSA-N 2 0 289.423 2.563 20 30 CFEDRP C[NH+](C)Cc1ccc(C[N@H+](C)[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000859212425 636506373 /nfs/dbraw/zinc/50/63/73/636506373.db2.gz JQIFPRBDWPRGEB-IAGOWNOFSA-N 2 0 271.408 2.872 20 30 CFEDRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C#N)cc1 ZINC000873263354 642107319 /nfs/dbraw/zinc/10/73/19/642107319.db2.gz IRSWTGOHMCIYRK-SDNTUTLCSA-N 2 0 269.392 2.739 20 30 CFEDRP C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)C1CC[NH2+]CC1 ZINC000873269066 642111002 /nfs/dbraw/zinc/11/10/02/642111002.db2.gz LLAHBQWDLYMADW-ACJLOTCBSA-N 2 0 283.419 2.913 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)cc1 ZINC000873268371 642111105 /nfs/dbraw/zinc/11/11/05/642111105.db2.gz VULDPAPSOQGKJU-HUUCEWRRSA-N 2 0 286.419 2.737 20 30 CFEDRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000873271699 642112755 /nfs/dbraw/zinc/11/27/55/642112755.db2.gz JRKSTBCYJGZCEJ-RYUDHWBXSA-N 2 0 275.371 2.736 20 30 CFEDRP C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)C1CC[NH2+]CC1 ZINC000873273292 642114296 /nfs/dbraw/zinc/11/42/96/642114296.db2.gz ZZMPJQITHQKUJS-SJCJKPOMSA-N 2 0 269.392 2.523 20 30 CFEDRP C#CCCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000876812306 643020682 /nfs/dbraw/zinc/02/06/82/643020682.db2.gz KRHWOISPLJYQAX-IRXDYDNUSA-N 2 0 262.441 2.986 20 30 CFEDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC000877684757 643453635 /nfs/dbraw/zinc/45/36/35/643453635.db2.gz WDUAXRDSYKESCI-UHFFFAOYSA-N 2 0 283.419 2.866 20 30 CFEDRP C[C@H]([NH2+]Cc1cc(C#N)ccc1F)C1CC[NH+](C)CC1 ZINC000090117825 650864601 /nfs/dbraw/zinc/86/46/01/650864601.db2.gz WUDLGLASPLAOSU-LBPRGKRZSA-N 2 0 275.371 2.517 20 30 CFEDRP CCC(CC)[C@H](CNC(=[NH2+])N[C@@H](C)CC)[NH+]1CCCC1 ZINC000303265906 650991801 /nfs/dbraw/zinc/99/18/01/650991801.db2.gz VEUAJSAYHWGSLH-ZFWWWQNUSA-N 2 0 282.476 2.590 20 30 CFEDRP CCCCCCCCNC(=[NH2+])NCCC1CC[NH+](C)CC1 ZINC000303869555 651005175 /nfs/dbraw/zinc/00/51/75/651005175.db2.gz DWGZODQSHXGTBG-UHFFFAOYSA-N 2 0 296.503 2.983 20 30 CFEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000303881626 651005834 /nfs/dbraw/zinc/00/58/34/651005834.db2.gz HTJJLPJGNOXMMZ-HUUCEWRRSA-N 2 0 294.487 2.590 20 30 CFEDRP CCc1ccc(NC(=[NH2+])NCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000303881320 651005982 /nfs/dbraw/zinc/00/59/82/651005982.db2.gz HOMQAIWPVPJZAJ-CQSZACIVSA-N 2 0 288.439 2.708 20 30 CFEDRP Cc1cc(C)cc(NC(=[NH2+])NCC[NH+]2CCC(C)CC2)c1 ZINC000303885641 651006422 /nfs/dbraw/zinc/00/64/22/651006422.db2.gz JWJGQPCWGPUNRY-UHFFFAOYSA-N 2 0 288.439 2.762 20 30 CFEDRP Cc1cccc(NC(=[NH2+])NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000303891177 651006448 /nfs/dbraw/zinc/00/64/48/651006448.db2.gz QKNRYBVDRMSQLC-HNNXBMFYSA-N 2 0 288.439 2.842 20 30 CFEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@H](C)[N@H+](C)C1CC1 ZINC000303971978 651010397 /nfs/dbraw/zinc/01/03/97/651010397.db2.gz FGTNCIGYCOACTG-KGLIPLIRSA-N 2 0 282.476 2.588 20 30 CFEDRP C=CCC[C@@H]([NH2+]CCC[NH+]1CCCCC1)[C@@H]1CCCO1 ZINC000883167276 645635379 /nfs/dbraw/zinc/63/53/79/645635379.db2.gz UJVRXWGOWWMBKP-SJORKVTESA-N 2 0 280.456 2.966 20 30 CFEDRP C=CCC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)[C@H]1CCCO1 ZINC000883174219 645641096 /nfs/dbraw/zinc/64/10/96/645641096.db2.gz FLWWZUIYFWCHDA-IXDOHACOSA-N 2 0 280.456 2.822 20 30 CFEDRP C=CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCCO1 ZINC000883226987 645677432 /nfs/dbraw/zinc/67/74/32/645677432.db2.gz JGBZQRXWZVDPPH-SLUKUZTOSA-N 2 0 278.440 2.715 20 30 CFEDRP C=C(C)C[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000883389890 645788145 /nfs/dbraw/zinc/78/81/45/645788145.db2.gz BBEZUWFBRKNKKY-NXHRZFHOSA-N 2 0 294.483 2.946 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000132126336 645880832 /nfs/dbraw/zinc/88/08/32/645880832.db2.gz DKBCHOLAZGFIGW-HNNXBMFYSA-N 2 0 288.435 2.937 20 30 CFEDRP C#C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCCO1 ZINC000886594182 647058428 /nfs/dbraw/zinc/05/84/28/647058428.db2.gz HMKQATFUKGNXQV-SAGYGOJTSA-N 2 0 290.451 2.554 20 30 CFEDRP CCC1([NH+]2CCC2)CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000886715692 647120413 /nfs/dbraw/zinc/12/04/13/647120413.db2.gz BBMIZWGUZSXHEX-LSDHHAIUSA-N 2 0 261.413 2.629 20 30 CFEDRP C=CCSCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925591600 648230892 /nfs/dbraw/zinc/23/08/92/648230892.db2.gz RCDYNIOWZREOHK-HUUCEWRRSA-N 2 0 268.470 2.664 20 30 CFEDRP C=C(C)C[NH+]1CCC(N[C@@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925608953 648237676 /nfs/dbraw/zinc/23/76/76/648237676.db2.gz MNLWSZUSKSRGNX-CRAIPNDOSA-N 2 0 287.451 2.705 20 30 CFEDRP C=CC(C)(C)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925683265 648277924 /nfs/dbraw/zinc/27/79/24/648277924.db2.gz NLISUSHJHXSELW-HUUCEWRRSA-N 2 0 250.430 2.957 20 30 CFEDRP C=CCCSCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925708653 648289666 /nfs/dbraw/zinc/28/96/66/648289666.db2.gz RMEVHGIGHIJQLG-STQMWFEESA-N 2 0 256.459 2.791 20 30 CFEDRP N#Cc1ccc(C2([NH2+][C@@H]3C[C@@H]([NH3+])C34CCC4)CCC2)cc1 ZINC000925710026 648290475 /nfs/dbraw/zinc/29/04/75/648290475.db2.gz BEHBXVOMIJQACQ-HZPDHXFCSA-N 2 0 281.403 2.797 20 30 CFEDRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000925784592 648322016 /nfs/dbraw/zinc/32/20/16/648322016.db2.gz JHTPWOIMSKQORN-JLJREYHVSA-N 2 0 297.446 2.836 20 30 CFEDRP C=CCCSCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926682291 648573387 /nfs/dbraw/zinc/57/33/87/648573387.db2.gz AEXHSKPUTWBDHI-MQVJKMGUSA-N 2 0 298.496 2.527 20 30 CFEDRP C=C(C)C[C@H](CO)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926864286 648638143 /nfs/dbraw/zinc/63/81/43/648638143.db2.gz NNXRZQLIHIAZOX-RHSMWYFYSA-N 2 0 276.424 2.726 20 30 CFEDRP C=C1CCC(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000926924844 648661173 /nfs/dbraw/zinc/66/11/73/648661173.db2.gz DTECSTNIGGJJEY-SFHVURJKSA-N 2 0 292.467 2.966 20 30 CFEDRP Cc1ccc(CN2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)cc1C#N ZINC000931313248 649404893 /nfs/dbraw/zinc/40/48/93/649404893.db2.gz ADZXQYALCQXNGU-HDICACEKSA-N 2 0 283.419 2.640 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931442292 649428985 /nfs/dbraw/zinc/42/89/85/649428985.db2.gz BKHWWVNWSZXGGN-SJORKVTESA-N 2 0 283.419 2.559 20 30 CFEDRP C=CCCCC[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001209207908 770015381 /nfs/dbraw/zinc/01/53/81/770015381.db2.gz HRMUDYUDLJUMRR-UHFFFAOYSA-N 2 0 259.397 2.868 20 30 CFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000692273277 770249161 /nfs/dbraw/zinc/24/91/61/770249161.db2.gz RFXHBHHNRICJCM-ONNAEPBLSA-N 2 0 260.425 2.707 20 30 CFEDRP CC1(C)CC([NH3+])CC(C)(C)N1c1cc[nH+]c(CC#N)c1 ZINC001167626239 773197761 /nfs/dbraw/zinc/19/77/61/773197761.db2.gz AWMKZWLVXGDJKG-UHFFFAOYSA-N 2 0 272.396 2.632 20 30 CFEDRP C#CCNC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168011784 777616561 /nfs/dbraw/zinc/61/65/61/777616561.db2.gz SJTTUUFXQROLBC-GJZGRUSLSA-N 2 0 256.393 2.651 20 30 CFEDRP C=CCCCCCCC[N@@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235038109 778363648 /nfs/dbraw/zinc/36/36/48/778363648.db2.gz SXXZRFNRHWTJRI-IAGOWNOFSA-N 2 0 280.456 2.823 20 30 CFEDRP CCCC[N@H+](CCC#N)C1CCC([NH+](C)C)CC1 ZINC001168322487 778431177 /nfs/dbraw/zinc/43/11/77/778431177.db2.gz CJMPAWLKKZCHIH-UHFFFAOYSA-N 2 0 251.418 2.875 20 30 CFEDRP C[NH+](C)C1CCC([N@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001168328766 778435240 /nfs/dbraw/zinc/43/52/40/778435240.db2.gz KBPYFCNLJNVJJC-UHFFFAOYSA-N 2 0 271.408 2.863 20 30 CFEDRP N#CCCC[N@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001277942788 778475737 /nfs/dbraw/zinc/47/57/37/778475737.db2.gz DHWPRXHPROASJQ-IYBDPMFKSA-N 2 0 275.440 2.877 20 30 CFEDRP C#Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235428208 778487019 /nfs/dbraw/zinc/48/70/19/778487019.db2.gz NQKGJKBPLGBDKM-RBUKOAKNSA-N 2 0 282.431 2.880 20 30 CFEDRP C=CCCCCCCCCC[NH+]1CC(N2CC[NH2+]CC2)C1 ZINC001236161096 778721276 /nfs/dbraw/zinc/72/12/76/778721276.db2.gz XCFFSJFSDFVEEE-UHFFFAOYSA-N 2 0 293.499 2.883 20 30 CFEDRP N#Cc1ccc(CCC[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237381225 779087295 /nfs/dbraw/zinc/08/72/95/779087295.db2.gz IHXLNLDESSXBBG-ZWKOTPCHSA-N 2 0 283.419 2.565 20 30 CFEDRP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(C#N)c(OC)c3)(C1)CCC2 ZINC001278286590 779419708 /nfs/dbraw/zinc/41/97/08/779419708.db2.gz UEIWBRQKNNLDGH-ZWKOTPCHSA-N 2 0 299.418 2.721 20 30 CFEDRP CCCCCCCC[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205210779 779918509 /nfs/dbraw/zinc/91/85/09/779918509.db2.gz QOJVYVBNXODBLD-OAHLLOKOSA-N 2 0 256.434 2.523 20 30 CFEDRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(C#N)c(F)c1 ZINC000594508615 349434870 /nfs/dbraw/zinc/43/48/70/349434870.db2.gz DREZGSSSQUXNRO-JMSVASOKSA-N 2 0 275.371 2.688 20 30 CFEDRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594584668 349451511 /nfs/dbraw/zinc/45/15/11/349451511.db2.gz ADWYLSQEQZBGAO-STQMWFEESA-N 2 0 257.381 2.653 20 30 CFEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccc(C#N)cc2)C[C@@H]1C ZINC000595346838 349607127 /nfs/dbraw/zinc/60/71/27/349607127.db2.gz MGYLJZRVSAFPIR-MAUKXSAKSA-N 2 0 285.435 2.905 20 30 CFEDRP Cc1cc(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)ccc1C#N ZINC000595504639 349644379 /nfs/dbraw/zinc/64/43/79/349644379.db2.gz KWUXPGNAWYQDFV-GOSISDBHSA-N 2 0 283.419 2.784 20 30 CFEDRP N#Cc1ccc(CC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000595895754 349764226 /nfs/dbraw/zinc/76/42/26/349764226.db2.gz UKONSEKYOHKBMT-ZWKOTPCHSA-N 2 0 283.419 2.565 20 30 CFEDRP C[C@@H]1CCC[N@H+](CCc2ccc(C#N)cc2)[C@@H]1CCC[NH3+] ZINC000595910676 349767353 /nfs/dbraw/zinc/76/73/53/349767353.db2.gz QJLPASMXLMTNGQ-CRAIPNDOSA-N 2 0 285.435 2.940 20 30 CFEDRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000596655080 349969685 /nfs/dbraw/zinc/96/96/85/349969685.db2.gz SRNOVPDZFLEOCO-IAQYHMDHSA-N 2 0 263.360 2.721 20 30 CFEDRP C[C@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)C[NH+](C)C ZINC000589949308 348864983 /nfs/dbraw/zinc/86/49/83/348864983.db2.gz IXALLWXBEHUUPH-CXAGYDPISA-N 2 0 271.408 2.723 20 30 CFEDRP CC[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(C#N)cc1 ZINC000591579948 349031697 /nfs/dbraw/zinc/03/16/97/349031697.db2.gz AUGPSRGDLUDQBX-HZPDHXFCSA-N 2 0 269.392 2.741 20 30 CFEDRP C[C@@]1(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CCC[NH2+]C1 ZINC000591578177 349031832 /nfs/dbraw/zinc/03/18/32/349031832.db2.gz KJVMAVNXNCVUSJ-QZTJIDSGSA-N 2 0 283.419 2.915 20 30 CFEDRP C[N@@H+]1C[C@@H](CNCc2ccc(C#N)o2)[C@H](c2ccccc2)C1 ZINC000592376373 349111822 /nfs/dbraw/zinc/11/18/22/349111822.db2.gz GZPUTPKLFHJQSQ-QAPCUYQASA-N 2 0 295.386 2.586 20 30 CFEDRP N#Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000592470946 349126719 /nfs/dbraw/zinc/12/67/19/349126719.db2.gz PEPHALWGYWEPAC-RRFJBIMHSA-N 2 0 289.810 2.689 20 30 CFEDRP CC[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(C#N)cc1 ZINC000593320914 349246553 /nfs/dbraw/zinc/24/65/53/349246553.db2.gz VKAJVJZPTACPQY-OAHLLOKOSA-N 2 0 257.381 2.728 20 30 CFEDRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000599071784 350370665 /nfs/dbraw/zinc/37/06/65/350370665.db2.gz SWIKSMHOZHEHNP-GOEBONIOSA-N 2 0 271.408 2.941 20 30 CFEDRP CN1CCC[C@H]1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000599088698 350374014 /nfs/dbraw/zinc/37/40/14/350374014.db2.gz SPPPBGZFQAXPRE-DOTOQJQBSA-N 2 0 269.392 2.619 20 30 CFEDRP Cc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1C#N ZINC000600709441 350599358 /nfs/dbraw/zinc/59/93/58/350599358.db2.gz KBKHNVGXLKMTRM-HNNXBMFYSA-N 2 0 283.419 2.831 20 30 CFEDRP CC[NH+]1CCC(C[NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000602001969 350827315 /nfs/dbraw/zinc/82/73/15/350827315.db2.gz OQEUTDUCCHSLHF-UHFFFAOYSA-N 2 0 275.371 2.519 20 30 CFEDRP CCC[NH+]1CCC(C[NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000602004691 350828127 /nfs/dbraw/zinc/82/81/27/350828127.db2.gz XDXFDWUQZFYTBB-UHFFFAOYSA-N 2 0 289.398 2.909 20 30 CFEDRP C[C@H](CCC#N)C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000602547547 350920240 /nfs/dbraw/zinc/92/02/40/350920240.db2.gz UPTYPEXNSFFSAN-KGLIPLIRSA-N 2 0 253.434 2.882 20 30 CFEDRP CCC[NH+]1CCC(C[NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602547141 350920290 /nfs/dbraw/zinc/92/02/90/350920290.db2.gz AGSPGTVHTKTFCQ-AWEZNQCLSA-N 2 0 251.418 2.638 20 30 CFEDRP C[C@H](CCC#N)C[NH2+]CCCCC[NH+]1CCCC1 ZINC000602676149 350973638 /nfs/dbraw/zinc/97/36/38/350973638.db2.gz LFIWWBMLMMTTBV-OAHLLOKOSA-N 2 0 251.418 2.782 20 30 CFEDRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602700673 350986929 /nfs/dbraw/zinc/98/69/29/350986929.db2.gz VNLDNSKTIWLASG-INIZCTEOSA-N 2 0 295.471 2.653 20 30 CFEDRP CN(CCCC[NH+]1CCCCC1)Cc1nc(C#N)cs1 ZINC000603114490 351106115 /nfs/dbraw/zinc/10/61/15/351106115.db2.gz AXUKEMQZONUTDS-UHFFFAOYSA-N 2 0 292.452 2.713 20 30 CFEDRP C[NH+]1CCC(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392356 351680362 /nfs/dbraw/zinc/68/03/62/351680362.db2.gz TTZMDOQIWAHLEA-SFHVURJKSA-N 2 0 283.419 2.867 20 30 CFEDRP C=CC[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000154793947 188162241 /nfs/dbraw/zinc/16/22/41/188162241.db2.gz NFMZYEMJAMDZEK-UHFFFAOYSA-N 2 0 287.451 2.835 20 30 CFEDRP C#CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000271733301 191296386 /nfs/dbraw/zinc/29/63/86/191296386.db2.gz STLNQNKGQIYHMC-IRXDYDNUSA-N 2 0 256.393 2.825 20 30 CFEDRP C=CC[C@@H]1CC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000628406855 354579915 /nfs/dbraw/zinc/57/99/15/354579915.db2.gz SIBUYWXKHMJXFE-OAHLLOKOSA-N 2 0 282.391 2.974 20 30 CFEDRP C=CC[C@@H]1CC[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000629550113 354844951 /nfs/dbraw/zinc/84/49/51/354844951.db2.gz MIBRLHIXRORIAV-ZBFHGGJFSA-N 2 0 274.408 2.636 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000423549228 283199324 /nfs/dbraw/zinc/19/93/24/283199324.db2.gz NDFIDBVRSDMKET-KYHPRHEASA-N 2 0 281.403 2.523 20 30 CFEDRP N#Cc1ccccc1CSCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422988436 283214729 /nfs/dbraw/zinc/21/47/29/283214729.db2.gz KLJPUEDCRBADQP-ZBFHGGJFSA-N 2 0 289.448 2.508 20 30 CFEDRP C=CCOc1cccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414908270 540830653 /nfs/dbraw/zinc/83/06/53/540830653.db2.gz BEXWPPKUZNDGTK-CABCVRRESA-N 2 0 260.381 2.611 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(C#N)c(F)c1 ZINC000423549543 238524661 /nfs/dbraw/zinc/52/46/61/238524661.db2.gz SLUVFPZQUQBTTD-BJKJVOPESA-N 2 0 287.382 2.736 20 30 CFEDRP N#Cc1csc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000446886776 241336189 /nfs/dbraw/zinc/33/61/89/241336189.db2.gz JWWXIELJMOWEAE-UHFFFAOYSA-N 2 0 275.421 2.584 20 30 CFEDRP C=CCC[C@@H](O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000675489435 541662517 /nfs/dbraw/zinc/66/25/17/541662517.db2.gz XDJHCZBYMRORFI-GOSISDBHSA-N 2 0 294.483 2.902 20 30 CFEDRP CC[C@@H](C)NC(=[NH2+])NCc1cccc(C[NH+](CC)CC)c1 ZINC000264101863 383697275 /nfs/dbraw/zinc/69/72/75/383697275.db2.gz OLLPFNOTGMRUTJ-CQSZACIVSA-N 2 0 290.455 2.731 20 30 CFEDRP CCCCNC(=[NH2+])NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000104155669 375769998 /nfs/dbraw/zinc/76/99/98/375769998.db2.gz HNGICBMEZDENQL-ZDUSSCGKSA-N 2 0 294.468 2.589 20 30 CFEDRP CC(C)c1cccc(NC(=[NH2+])NCC(C)(C)[NH+](C)C)c1 ZINC000104155042 375770202 /nfs/dbraw/zinc/77/02/02/375770202.db2.gz CEGYDVZCCVFEQT-UHFFFAOYSA-N 2 0 276.428 2.877 20 30 CFEDRP CCN(CC)[C@H](C[NH+]=C(N(C)C)N(C)C)c1ccsc1 ZINC000104166769 375771562 /nfs/dbraw/zinc/77/15/62/375771562.db2.gz KDUOUAOKVJGLOM-CQSZACIVSA-N 2 0 296.484 2.610 20 30 CFEDRP CC[N@H+](CCC1CC[NH+](CC#CCOC)CC1)CC(C)C ZINC000678635279 542056278 /nfs/dbraw/zinc/05/62/78/542056278.db2.gz RACRKZUNNLQWLL-UHFFFAOYSA-N 2 0 294.483 2.716 20 30 CFEDRP N#CCCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122142759 376922490 /nfs/dbraw/zinc/92/24/90/376922490.db2.gz MEDOBPKDRXYUIQ-UHFFFAOYSA-N 2 0 263.429 2.878 20 30 CFEDRP CC1CCN(C(=[NH2+])NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000122477707 376930238 /nfs/dbraw/zinc/93/02/38/376930238.db2.gz ZNHFWZUUEHLWMX-INIZCTEOSA-N 2 0 294.487 2.545 20 30 CFEDRP C=CCOCC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000679578823 542211226 /nfs/dbraw/zinc/21/12/26/542211226.db2.gz ZPPCQQXHBZQVAY-NVXWUHKLSA-N 2 0 280.456 2.822 20 30 CFEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000264327261 383726883 /nfs/dbraw/zinc/72/68/83/383726883.db2.gz ZAZVERYPGVCWDQ-CYBMUJFWSA-N 2 0 274.412 2.513 20 30 CFEDRP CC#CCC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000168237440 379084132 /nfs/dbraw/zinc/08/41/32/379084132.db2.gz LHAQKMQRYPZBGO-QGZVFWFLSA-N 2 0 256.393 2.654 20 30 CFEDRP Cc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1C#N ZINC000335945392 380140010 /nfs/dbraw/zinc/14/00/10/380140010.db2.gz KYTNKOCPVSFHIR-JWTNVVGKSA-N 2 0 283.419 2.924 20 30 CFEDRP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000411425213 381025652 /nfs/dbraw/zinc/02/56/52/381025652.db2.gz MCNJQGXDSDXHOX-MRXNPFEDSA-N 2 0 295.471 2.749 20 30 CFEDRP C#C[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000289579795 381052834 /nfs/dbraw/zinc/05/28/34/381052834.db2.gz TWMNGKGOGVBSNO-YQQAZPJKSA-N 2 0 256.393 2.651 20 30 CFEDRP C#CCCC[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000368654238 381098837 /nfs/dbraw/zinc/09/88/37/381098837.db2.gz ZIGYCCKJISMQOG-KRWDZBQOSA-N 2 0 298.430 2.978 20 30 CFEDRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCCC#N ZINC000348309304 381496973 /nfs/dbraw/zinc/49/69/73/381496973.db2.gz FQWMZBKGWBGPJD-GJZGRUSLSA-N 2 0 251.418 2.780 20 30 CFEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CC#N)[C@@H](C)C1 ZINC000414166331 381565798 /nfs/dbraw/zinc/56/57/98/381565798.db2.gz NIMODUFEMVQVBQ-HOTGVXAUSA-N 2 0 295.471 2.653 20 30 CFEDRP C[NH+](C)CC1(C[NH2+]Cc2cccc(C#N)c2)CCCC1 ZINC000185291882 381588454 /nfs/dbraw/zinc/58/84/54/381588454.db2.gz FRDXUUZPDMGKQW-UHFFFAOYSA-N 2 0 271.408 2.770 20 30 CFEDRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000349690454 381985160 /nfs/dbraw/zinc/98/51/60/381985160.db2.gz GJTBGAPDDBKIGX-HNNXBMFYSA-N 2 0 289.423 2.567 20 30 CFEDRP C#Cc1ccc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)cc1 ZINC000376034226 382117836 /nfs/dbraw/zinc/11/78/36/382117836.db2.gz XWJJEGOZORPIHW-GOSISDBHSA-N 2 0 293.414 2.856 20 30 CFEDRP C[NH+](C)[C@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)CC1 ZINC000375625980 382094160 /nfs/dbraw/zinc/09/41/60/382094160.db2.gz QMRZDUWGJGSKKJ-INIZCTEOSA-N 2 0 293.455 2.503 20 30 CFEDRP C=CCOc1ccccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346859991 382549144 /nfs/dbraw/zinc/54/91/44/382549144.db2.gz ZUIWNMOXIBYOSW-BHYGNILZSA-N 2 0 286.419 2.811 20 30 CFEDRP C=C[C@@H](C)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000358304325 382558121 /nfs/dbraw/zinc/55/81/21/382558121.db2.gz RRHHFPXZRAVCQM-ZIAGYGMSSA-N 2 0 262.397 2.852 20 30 CFEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000358308618 382560488 /nfs/dbraw/zinc/56/04/88/382560488.db2.gz KAJNRWDXDAYFGX-XHBSWPGZSA-N 2 0 275.371 2.516 20 30 CFEDRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000358331418 382572713 /nfs/dbraw/zinc/57/27/13/382572713.db2.gz SQBUZWLCVPMWRD-KBMXLJTQSA-N 2 0 257.381 2.571 20 30 CFEDRP C=CCOc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192853204 382712915 /nfs/dbraw/zinc/71/29/15/382712915.db2.gz XSRXDFAIKMTLHK-ALOPSCKCSA-N 2 0 286.419 2.966 20 30 CFEDRP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000578263649 382905796 /nfs/dbraw/zinc/90/57/96/382905796.db2.gz OQEMKDQYCKDVIP-XJKSGUPXSA-N 2 0 280.375 2.842 20 30 CFEDRP N#CC1(c2ccccc2)CCC([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000578004862 382881077 /nfs/dbraw/zinc/88/10/77/382881077.db2.gz BOPMREFUTWFOJS-UHFFFAOYSA-N 2 0 297.446 2.980 20 30 CFEDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442640099 382940342 /nfs/dbraw/zinc/94/03/42/382940342.db2.gz AEBKEXNKXRDHPO-ZNMIVQPWSA-N 2 0 251.418 2.779 20 30 CFEDRP C[C@@H]1C[C@@H](NCC2(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000578398184 382917581 /nfs/dbraw/zinc/91/75/81/382917581.db2.gz GBWHSHZWACKANY-WBVHZDCISA-N 2 0 283.419 2.933 20 30 CFEDRP N#C[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000446891188 382993070 /nfs/dbraw/zinc/99/30/70/382993070.db2.gz VGLGOYCJYFYYQB-LSDHHAIUSA-N 2 0 261.413 2.533 20 30 CFEDRP C[C@H](CCCC[NH3+])[NH2+]CCSCc1ccccc1C#N ZINC000422987007 382998255 /nfs/dbraw/zinc/99/82/55/382998255.db2.gz HWCHETPOAGYVBO-CQSZACIVSA-N 2 0 291.464 2.899 20 30 CFEDRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(C#N)cc1F ZINC000423482241 383113850 /nfs/dbraw/zinc/11/38/50/383113850.db2.gz OWCRJMUXNXXMOB-GXTWGEPZSA-N 2 0 275.371 2.880 20 30 CFEDRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc(C#N)c1 ZINC000423484003 383115064 /nfs/dbraw/zinc/11/50/64/383115064.db2.gz QPNZNOGSXSDSIV-CZUORRHYSA-N 2 0 257.381 2.741 20 30 CFEDRP CC1(C#N)CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000449092279 383171603 /nfs/dbraw/zinc/17/16/03/383171603.db2.gz TYAFLENREHDUCH-FYRZTWFESA-N 2 0 261.413 2.675 20 30 CFEDRP N#CCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000520231314 383252686 /nfs/dbraw/zinc/25/26/86/383252686.db2.gz SNSKFJYSTMFZQM-OKZBNKHCSA-N 2 0 283.419 2.763 20 30 CFEDRP C=CCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000519831246 383240595 /nfs/dbraw/zinc/24/05/95/383240595.db2.gz FYHKGKQQODSFDS-DZGCQCFKSA-N 2 0 260.381 2.563 20 30 CFEDRP C[C@H](CC[NH2+][C@H]1CCC[C@@H](C#N)C1)[NH+]1CCCCC1 ZINC000248816616 383292758 /nfs/dbraw/zinc/29/27/58/383292758.db2.gz KZMWCLFREZXVLM-OAGGEKHMSA-N 2 0 263.429 2.923 20 30 CFEDRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCC[C@@H](C#N)C2)C[C@@H](C)O1 ZINC000248849379 383297793 /nfs/dbraw/zinc/29/77/93/383297793.db2.gz OOBRQBQGIKCHGU-QBPKDAKJSA-N 2 0 293.455 2.548 20 30 CFEDRP C=CCC[C@@H](CO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000449694686 383360636 /nfs/dbraw/zinc/36/06/36/383360636.db2.gz CDLLUNJVMKFTIH-INIZCTEOSA-N 2 0 280.456 2.700 20 30 CFEDRP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1C#N ZINC000488172271 383502951 /nfs/dbraw/zinc/50/29/51/383502951.db2.gz RESLEVMELRFWCZ-MSOLQXFVSA-N 2 0 283.419 2.783 20 30 CFEDRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000271972508 385414915 /nfs/dbraw/zinc/41/49/15/385414915.db2.gz UVUVGXHRROOZCF-LBPRGKRZSA-N 2 0 273.355 2.610 20 30 CFEDRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCCC#N)CC2)C1 ZINC000346326664 393926039 /nfs/dbraw/zinc/92/60/39/393926039.db2.gz YVWOOKUEAZNSJG-GDBMZVCRSA-N 2 0 263.429 2.923 20 30 CFEDRP C=C(C)[C@H](CO)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000649353241 395476726 /nfs/dbraw/zinc/47/67/26/395476726.db2.gz PYNQFIDCBCHTJA-AEFFLSMTSA-N 2 0 294.483 2.900 20 30 CFEDRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000349721095 163008225 /nfs/dbraw/zinc/00/82/25/163008225.db2.gz LXDDEBUXWKRFMC-OAHLLOKOSA-N 2 0 289.423 2.567 20 30 CFEDRP C=CC[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C1 ZINC000651706063 413582119 /nfs/dbraw/zinc/58/21/19/413582119.db2.gz QYWPBTBELOUIIM-AEFFLSMTSA-N 2 0 293.499 2.594 20 30 CFEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](CC[NH+](C)C)OCC)C1 ZINC000651753091 413614730 /nfs/dbraw/zinc/61/47/30/413614730.db2.gz DEGITCVWFKSRIW-BZUAXINKSA-N 2 0 268.445 2.678 20 30 CFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000657834930 413987515 /nfs/dbraw/zinc/98/75/15/413987515.db2.gz CYZKTGYDNGHARA-KURKYZTESA-N 2 0 293.499 2.737 20 30 CFEDRP C=CCCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])CCCC1 ZINC000665236269 414193914 /nfs/dbraw/zinc/19/39/14/414193914.db2.gz JMSIAMZYILCWIK-HRCADAONSA-N 2 0 280.456 2.855 20 30 CFEDRP C=CCC1([NH2+]CCCN2CC[NH+](C(C)C)CC2)CCCC1 ZINC000661851352 414259247 /nfs/dbraw/zinc/25/92/47/414259247.db2.gz SNNZMOHUOPAQAP-UHFFFAOYSA-N 2 0 293.499 2.881 20 30 CFEDRP Cc1cc(C)cc(NC(=[NH2+])NCCC[NH+]2CCCC2)c1 ZINC000170908603 261448579 /nfs/dbraw/zinc/44/85/79/261448579.db2.gz BTTYATJRXLCUPO-UHFFFAOYSA-N 2 0 274.412 2.516 20 30 CFEDRP C=CCCCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000373020284 262282771 /nfs/dbraw/zinc/28/27/71/262282771.db2.gz KLCARYJSFBGRKM-YESZJQIVSA-N 2 0 280.456 2.822 20 30 CFEDRP C=CCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000414768091 263041749 /nfs/dbraw/zinc/04/17/49/263041749.db2.gz LDTJAUSMDZUDJN-CALCHBBNSA-N 2 0 286.419 2.683 20 30 CFEDRP C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000414825002 263055610 /nfs/dbraw/zinc/05/56/10/263055610.db2.gz GMDQUPRCNCXSDX-CQSZACIVSA-N 2 0 294.826 2.994 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000414843477 263058329 /nfs/dbraw/zinc/05/83/29/263058329.db2.gz CBEJOVAPKQIOPZ-ZBFHGGJFSA-N 2 0 274.408 2.729 20 30 CFEDRP C=CCOc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000414857676 263074367 /nfs/dbraw/zinc/07/43/67/263074367.db2.gz PZQXPDJJNSNXDU-GOEBONIOSA-N 2 0 274.408 2.729 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414932141 263137830 /nfs/dbraw/zinc/13/78/30/263137830.db2.gz VMEHPICCNRKJGY-CABCVRRESA-N 2 0 260.381 2.611 20 30 CFEDRP C=CCOc1ccccc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000415054129 263258612 /nfs/dbraw/zinc/25/86/12/263258612.db2.gz FIADWUAJUVPEJW-CQSZACIVSA-N 2 0 262.397 2.859 20 30 CFEDRP C=CCOc1cccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000415052931 263259959 /nfs/dbraw/zinc/25/99/59/263259959.db2.gz IZZBMUCIATVGOA-RHSMWYFYSA-N 2 0 274.408 2.668 20 30 CFEDRP C=CC[C@@H](CO)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000341876607 263360841 /nfs/dbraw/zinc/36/08/41/263360841.db2.gz NOKIJPTWPALRCO-OAHLLOKOSA-N 2 0 280.456 2.558 20 30 CFEDRP C=CC[C@H](CO)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000341891069 263363748 /nfs/dbraw/zinc/36/37/48/263363748.db2.gz UYWSYTFFVLCUHR-RYRKJORJSA-N 2 0 294.483 2.804 20 30 CFEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000129102285 264311924 /nfs/dbraw/zinc/31/19/24/264311924.db2.gz WPDHWAAOULQTKV-MSOLQXFVSA-N 2 0 294.483 2.902 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CCC#N)[C@H]2CCC[C@H]21 ZINC000367904953 267126944 /nfs/dbraw/zinc/12/69/44/267126944.db2.gz SMUOQMMDMKMENM-QLFBSQMISA-N 2 0 263.429 2.779 20 30 CFEDRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000423441140 274475376 /nfs/dbraw/zinc/47/53/76/274475376.db2.gz UIKJZIOEGPFMGA-WBMJQRKESA-N 2 0 257.381 2.653 20 30 CFEDRP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423210412 288079799 /nfs/dbraw/zinc/07/97/99/288079799.db2.gz GETNAJYWDIPAAR-COXVUDFISA-N 2 0 271.408 2.987 20 30 CFEDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000348208769 288101328 /nfs/dbraw/zinc/10/13/28/288101328.db2.gz ADLDZFDOAPKVHV-RDBSUJKOSA-N 2 0 251.418 2.635 20 30 CFEDRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000164514328 289949649 /nfs/dbraw/zinc/94/96/49/289949649.db2.gz SYGHXWHFWDDOOC-AWEZNQCLSA-N 2 0 271.408 2.941 20 30 CFEDRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc(C#N)cc1 ZINC000089142292 290043141 /nfs/dbraw/zinc/04/31/41/290043141.db2.gz IHKNEWASHWKIOV-MAZHCROVSA-N 2 0 257.381 2.726 20 30 CFEDRP C[C@@H]1C[N@H+](CCCc2cccc(C#N)c2)CCC[C@@H]1C[NH3+] ZINC001205985684 782058619 /nfs/dbraw/zinc/05/86/19/782058619.db2.gz ZTDZJXQJBDFDJW-CRAIPNDOSA-N 2 0 285.435 2.798 20 30 CFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000264147164 328157566 /nfs/dbraw/zinc/15/75/66/328157566.db2.gz YBNIDCGBXJQJOP-HNNXBMFYSA-N 2 0 274.412 2.514 20 30 CFEDRP C=CCCC[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000177257873 329182529 /nfs/dbraw/zinc/18/25/29/329182529.db2.gz WZPIVYUCSNDSKN-UHFFFAOYSA-N 2 0 287.451 2.987 20 30 CFEDRP [NH2+]=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)NC1CCCC1 ZINC000262696599 330027772 /nfs/dbraw/zinc/02/77/72/330027772.db2.gz DZCXRPUGXHRUQF-MRXNPFEDSA-N 2 0 292.471 2.630 20 30 CFEDRP [NH2+]=C(NC[C@H]1CCCC[N@@H+]1C1CC1)NC1CCCCCC1 ZINC000262902046 330036564 /nfs/dbraw/zinc/03/65/64/330036564.db2.gz XUWIKDBJXPKIFD-MRXNPFEDSA-N 2 0 292.471 2.630 20 30 CFEDRP [NH2+]=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)NC1CCCCCC1 ZINC000262902044 330036576 /nfs/dbraw/zinc/03/65/76/330036576.db2.gz XUWIKDBJXPKIFD-INIZCTEOSA-N 2 0 292.471 2.630 20 30 CFEDRP C=CCN1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422857012 330157767 /nfs/dbraw/zinc/15/77/67/330157767.db2.gz GJMCUBTUVGYETO-OKZBNKHCSA-N 2 0 291.483 2.537 20 30 CFEDRP C=C(C)CN1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422976694 330162237 /nfs/dbraw/zinc/16/22/37/330162237.db2.gz IQPROECMIYQPFC-RCCFBDPRSA-N 2 0 291.483 2.537 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423097910 330169970 /nfs/dbraw/zinc/16/99/70/330169970.db2.gz BRCJLYRWCTVJBN-PBHICJAKSA-N 2 0 274.408 2.729 20 30 CFEDRP C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)C1C[NH2+]C1 ZINC000423135842 330172144 /nfs/dbraw/zinc/17/21/44/330172144.db2.gz UQFKQQKJUVMCFJ-CZUORRHYSA-N 2 0 257.381 2.619 20 30 CFEDRP C=CCC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccco1 ZINC000423403463 330196235 /nfs/dbraw/zinc/19/62/35/330196235.db2.gz HTHAGJYABCRSRD-HNNXBMFYSA-N 2 0 292.423 2.893 20 30 CFEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000424378514 330349093 /nfs/dbraw/zinc/34/90/93/330349093.db2.gz SVZPECNYLJRQTJ-LYYZXLFJSA-N 2 0 261.413 2.579 20 30 CFEDRP C=CCCCC[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000449125139 330900383 /nfs/dbraw/zinc/90/03/83/330900383.db2.gz RWMAYBQWRITVRQ-DLBZAZTESA-N 2 0 282.472 2.804 20 30 CFEDRP C=CCCCC[C@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000449250727 330909875 /nfs/dbraw/zinc/90/98/75/330909875.db2.gz PIOQQHORWZBCDB-DLBZAZTESA-N 2 0 281.488 2.737 20 30 CFEDRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000459781817 331300697 /nfs/dbraw/zinc/30/06/97/331300697.db2.gz MOLFNXAOMYZKAZ-QQFBHYJXSA-N 2 0 263.429 2.780 20 30 CFEDRP C[C@H](C[NH2+]Cc1cccc(OCCCC#N)c1)C[NH+](C)C ZINC000491590468 332241792 /nfs/dbraw/zinc/24/17/92/332241792.db2.gz AGXWBQLVSCMNPO-OAHLLOKOSA-N 2 0 289.423 2.656 20 30 CFEDRP C#C[C@H](C)[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000491651495 332264778 /nfs/dbraw/zinc/26/47/78/332264778.db2.gz HFTBMKUQBDGOEO-INIZCTEOSA-N 2 0 299.462 2.671 20 30 CFEDRP C#C[C@H](CC)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309787084 333049295 /nfs/dbraw/zinc/04/92/95/333049295.db2.gz NIJMCAGQSGIMNH-KBAYOESNSA-N 2 0 270.420 2.898 20 30 CFEDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000521042431 333110559 /nfs/dbraw/zinc/11/05/59/333110559.db2.gz GYFNMBNABCTOGG-KEYYUXOJSA-N 2 0 271.408 2.571 20 30 CFEDRP C=CCC[C@H](CCC)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186588166 333163304 /nfs/dbraw/zinc/16/33/04/333163304.db2.gz GGXSBXJVTWSBHF-IRXDYDNUSA-N 2 0 281.488 2.737 20 30 CFEDRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(CC#N)CC1 ZINC000543414925 333872751 /nfs/dbraw/zinc/87/27/51/333872751.db2.gz QRSJVMXFGLHJPF-UHFFFAOYSA-N 2 0 295.390 2.701 20 30 CFEDRP CC[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000423321082 529156150 /nfs/dbraw/zinc/15/61/50/529156150.db2.gz GBWOTUKVIAKOPF-MRXNPFEDSA-N 2 0 271.408 2.989 20 30 CFEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000728713157 574105883 /nfs/dbraw/zinc/10/58/83/574105883.db2.gz PNJUGJFGFDGNDO-OAHLLOKOSA-N 2 0 287.407 2.553 20 30 CFEDRP CC[N@@H+]1CC[C@H](N(C)Cc2csc(C#N)c2)[C@@H](C)C1 ZINC000892105143 617952942 /nfs/dbraw/zinc/95/29/42/617952942.db2.gz JCBFBRMZLCLFNQ-WFASDCNBSA-N 2 0 277.437 2.782 20 30 CFEDRP CC[N@@H+]1CC[C@@H](N(C)Cc2csc(C#N)c2)[C@H](C)C1 ZINC000892105141 617953138 /nfs/dbraw/zinc/95/31/38/617953138.db2.gz JCBFBRMZLCLFNQ-IUODEOHRSA-N 2 0 277.437 2.782 20 30 CFEDRP CCCN1CCC[C@H]1C[NH2+][C@H](C)CC(C)(C)C#N ZINC000926419297 618085091 /nfs/dbraw/zinc/08/50/91/618085091.db2.gz SFBTYOZLSMUSEU-KGLIPLIRSA-N 2 0 251.418 2.779 20 30 CFEDRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCCCCC2)C1 ZINC000157384857 618175092 /nfs/dbraw/zinc/17/50/92/618175092.db2.gz ASODTOLHNLKKIY-INIZCTEOSA-N 2 0 294.487 2.545 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000158153069 618188629 /nfs/dbraw/zinc/18/86/29/618188629.db2.gz GVHOKWZUMMZTDN-HOTGVXAUSA-N 2 0 286.419 2.691 20 30 CFEDRP C#CCCCCCC[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000877530636 618413379 /nfs/dbraw/zinc/41/33/79/618413379.db2.gz DPBNHGNOVIONJF-SJORKVTESA-N 2 0 262.441 2.986 20 30 CFEDRP C[C@H](CCC#N)C[N@@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000895382068 618560160 /nfs/dbraw/zinc/56/01/60/618560160.db2.gz ZKJAFTAGPQSPSZ-OAGGEKHMSA-N 2 0 265.445 2.978 20 30 CFEDRP C=CCN1CCC([NH2+]Cc2cc(O)cc(Cl)c2)CC1 ZINC000892881358 618762615 /nfs/dbraw/zinc/76/26/15/618762615.db2.gz UXAHUFFCDSTZBY-UHFFFAOYSA-N 2 0 280.799 2.786 20 30 CFEDRP CC(C)c1cccc(NC(=[NH2+])NCC[N@@H+](C)C(C)C)c1 ZINC000104191700 619066869 /nfs/dbraw/zinc/06/68/69/619066869.db2.gz DROCQJXXXXMWIL-UHFFFAOYSA-N 2 0 276.428 2.877 20 30 CFEDRP CSc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1C#N ZINC000925774829 619093036 /nfs/dbraw/zinc/09/30/36/619093036.db2.gz XQJCWNMHZCCGOH-KGLIPLIRSA-N 2 0 275.421 2.640 20 30 CFEDRP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(C#N)c(F)c1 ZINC000925845988 619177684 /nfs/dbraw/zinc/17/76/84/619177684.db2.gz MXHXNLLVNGNXBW-JCURWCKSSA-N 2 0 287.382 2.880 20 30 CFEDRP C#CC[NH+]1CCC(Nc2cc(C(C)(C)C)ccn2)CC1 ZINC000895812025 619613260 /nfs/dbraw/zinc/61/32/60/619613260.db2.gz YXJDHKFCDCQSTC-UHFFFAOYSA-N 2 0 271.408 2.889 20 30 CFEDRP C[C@H](CCC#N)C[NH2+][C@H](CCN(C)C)c1cccnc1 ZINC000896724235 619794955 /nfs/dbraw/zinc/79/49/55/619794955.db2.gz VYAXWWBUWKKTAN-GDBMZVCRSA-N 2 0 274.412 2.604 20 30 CFEDRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1C#N ZINC000926961464 620432206 /nfs/dbraw/zinc/43/22/06/620432206.db2.gz JJGFDAXYQJQYQZ-KZNAEPCWSA-N 2 0 283.419 2.829 20 30 CFEDRP CC(C)(CCC#N)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384959 621060099 /nfs/dbraw/zinc/06/00/99/621060099.db2.gz QDRPARMAAVDXGD-ZDUSSCGKSA-N 2 0 251.418 2.684 20 30 CFEDRP Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1C#N ZINC000902402811 621067940 /nfs/dbraw/zinc/06/79/40/621067940.db2.gz FBYAJVTVKCGRKA-INIZCTEOSA-N 2 0 271.408 2.735 20 30 CFEDRP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1cccc(C#N)c1 ZINC000902752072 621164788 /nfs/dbraw/zinc/16/47/88/621164788.db2.gz GCSXEQKDRVOOAR-NVXWUHKLSA-N 2 0 271.408 2.941 20 30 CFEDRP N#CC1CCC(C[N@H+](C2CC2)C2CC[NH2+]CC2)CC1 ZINC000903421706 621378247 /nfs/dbraw/zinc/37/82/47/621378247.db2.gz RXLYYXQBIGUGDO-UHFFFAOYSA-N 2 0 261.413 2.533 20 30 CFEDRP Cc1cc(C#N)cc(C)c1CN1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000903424837 621380155 /nfs/dbraw/zinc/38/01/55/621380155.db2.gz IOBOREFVCVMEGC-PXAZEXFGSA-N 2 0 271.408 2.734 20 30 CFEDRP Cc1cc(C#N)cc(C)c1CN1CCC[C@H](C)[C@H]1C[NH3+] ZINC000903424840 621380165 /nfs/dbraw/zinc/38/01/65/621380165.db2.gz IOBOREFVCVMEGC-YVEFUNNKSA-N 2 0 271.408 2.734 20 30 CFEDRP CCC[N@H+](CC1CCC(C#N)CC1)C1CC[NH2+]CC1 ZINC000903445960 621383800 /nfs/dbraw/zinc/38/38/00/621383800.db2.gz OWZDDDKOGOYKPJ-UHFFFAOYSA-N 2 0 263.429 2.780 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000903453896 621387533 /nfs/dbraw/zinc/38/75/33/621387533.db2.gz ORIZCVIUXZZUHV-ZWKOTPCHSA-N 2 0 297.446 2.997 20 30 CFEDRP Cc1cc(C#N)cc(C)c1CN[C@@H](C[NH3+])C(C)(C)C ZINC000903454813 621388065 /nfs/dbraw/zinc/38/80/65/621388065.db2.gz KBBGGWHSTNGBBN-HNNXBMFYSA-N 2 0 259.397 2.638 20 30 CFEDRP N#CC1(CCCC[N@H+]2CCC[C@H](CC[NH3+])C2)CCC1 ZINC000903746080 621432085 /nfs/dbraw/zinc/43/20/85/621432085.db2.gz DMZIPQVCJMWGAY-OAHLLOKOSA-N 2 0 263.429 2.911 20 30 CFEDRP N#CC1(CCCC[NH+]2CCC3(CC[NH2+]C3)CC2)CCC1 ZINC000903750344 621432584 /nfs/dbraw/zinc/43/25/84/621432584.db2.gz YKGFSHZEZSEBKB-UHFFFAOYSA-N 2 0 275.440 2.926 20 30 CFEDRP N#CC1(CCCC[NH+]2CCC(CC[NH3+])CC2)CCC1 ZINC000903766822 621437212 /nfs/dbraw/zinc/43/72/12/621437212.db2.gz BQWRUKIZFWMRFC-UHFFFAOYSA-N 2 0 263.429 2.911 20 30 CFEDRP C[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)CC[C@H]1C[NH3+] ZINC000903788960 621442230 /nfs/dbraw/zinc/44/22/30/621442230.db2.gz SFFSZMMNJJZIAZ-CABCVRRESA-N 2 0 263.429 2.767 20 30 CFEDRP C=CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000904411833 621592432 /nfs/dbraw/zinc/59/24/32/621592432.db2.gz OBXNZJFVUGIDOJ-ZBFHGGJFSA-N 2 0 274.408 2.668 20 30 CFEDRP C=CCOc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000904412308 621593493 /nfs/dbraw/zinc/59/34/93/621593493.db2.gz RWTQSKYFFXNWBC-HOCLYGCPSA-N 2 0 274.408 2.668 20 30 CFEDRP C[N@@H+](Cc1cc(C#N)cs1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904470447 621601220 /nfs/dbraw/zinc/60/12/20/621601220.db2.gz XBPHUZDUPOJDKR-QXMXGUDHSA-N 2 0 275.421 2.582 20 30 CFEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000911821382 622555884 /nfs/dbraw/zinc/55/58/84/622555884.db2.gz IMOORXUBCHVBMS-JYJNAYRXSA-N 2 0 297.487 2.650 20 30 CFEDRP C#CCOc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000834893669 625911734 /nfs/dbraw/zinc/91/17/34/625911734.db2.gz WBRNVUOGPSKSTC-UHFFFAOYSA-N 2 0 286.419 2.661 20 30 CFEDRP c1nncn1[NH+]=C1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]12 ZINC000834911589 625920003 /nfs/dbraw/zinc/92/00/03/625920003.db2.gz DBUFKBGFRCJKQW-DOTOQJQBSA-N 2 0 295.390 2.557 20 30 CFEDRP C#C[C@@H](C)[NH+](C)Cc1ccc(C[N@@H+](C)[C@@H](C)C#C)cc1 ZINC000769961497 625933570 /nfs/dbraw/zinc/93/35/70/625933570.db2.gz LCWNWWGLVONSEU-IYBDPMFKSA-N 2 0 268.404 2.594 20 30 CFEDRP C=C(Cl)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923506526 626477890 /nfs/dbraw/zinc/47/78/90/626477890.db2.gz KPSQGJLMTFEJQV-CYBMUJFWSA-N 2 0 256.821 2.841 20 30 CFEDRP CCC(CC)N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771559066 627614237 /nfs/dbraw/zinc/61/42/37/627614237.db2.gz CAZHOHWPKDXEPT-UHFFFAOYSA-N 2 0 288.439 2.551 20 30 CFEDRP C#C[C@@H](C)[N@@H+](C)Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000775183988 627999149 /nfs/dbraw/zinc/99/91/49/627999149.db2.gz QXIQUQWNRZTEOB-QGZVFWFLSA-N 2 0 299.462 2.672 20 30 CFEDRP C[C@@H](C#N)OCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000801934157 630490728 /nfs/dbraw/zinc/49/07/28/630490728.db2.gz IQPMMETYPBZSJA-INIZCTEOSA-N 2 0 293.455 2.503 20 30 CFEDRP C#Cc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000809603066 631244073 /nfs/dbraw/zinc/24/40/73/631244073.db2.gz ILKVMRBWQXPTTC-UHFFFAOYSA-N 2 0 256.393 2.634 20 30 CFEDRP CCCCCCCC[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000842477941 631641698 /nfs/dbraw/zinc/64/16/98/631641698.db2.gz CMRHKUZZHYSBGV-INIZCTEOSA-N 2 0 293.459 2.734 20 30 CFEDRP C=CC[N@H+](Cc1ccc(CN2CCOCC2)cc1)C(C)C ZINC000817274082 632591701 /nfs/dbraw/zinc/59/17/01/632591701.db2.gz AVSFIMOQHWUIAH-UHFFFAOYSA-N 2 0 288.435 2.915 20 30 CFEDRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1C#N ZINC000817915733 632732477 /nfs/dbraw/zinc/73/24/77/632732477.db2.gz QNDBATXEWWXPKT-YESZJQIVSA-N 2 0 299.418 2.577 20 30 CFEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000817919690 632734468 /nfs/dbraw/zinc/73/44/68/632734468.db2.gz UDNGCGNBDSTVOU-KCQAQPDRSA-N 2 0 275.396 2.583 20 30 CFEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000817919992 632734565 /nfs/dbraw/zinc/73/45/65/632734565.db2.gz YCCMBUXORGKEFV-ZMSDIMECSA-N 2 0 287.407 2.585 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000817946867 632748297 /nfs/dbraw/zinc/74/82/97/632748297.db2.gz GRHSNBRTXXXZTC-ZMSDIMECSA-N 2 0 286.419 2.737 20 30 CFEDRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(OCC#N)cc1 ZINC000817980104 632776808 /nfs/dbraw/zinc/77/68/08/632776808.db2.gz IUFJLCYNLFTUIU-GOEBONIOSA-N 2 0 287.407 2.772 20 30 CFEDRP C[C@@H](C[NH+]=C(Nc1ccccc1)N1CCCCC1)[NH+](C)C ZINC000848996531 633452141 /nfs/dbraw/zinc/45/21/41/633452141.db2.gz CHSBYSXTEYUJBJ-HNNXBMFYSA-N 2 0 288.439 2.891 20 30 CFEDRP C=C(C)CNC(=[NH2+])NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000849108114 633486435 /nfs/dbraw/zinc/48/64/35/633486435.db2.gz BNNRCRURQDFBBV-UHFFFAOYSA-N 2 0 292.471 2.723 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000854230245 635266234 /nfs/dbraw/zinc/26/62/34/635266234.db2.gz KPCGHCQOQVPIQB-RHSMWYFYSA-N 2 0 274.408 2.723 20 30 CFEDRP C=CC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856597362 635834753 /nfs/dbraw/zinc/83/47/53/635834753.db2.gz HYDBELXBIBAQQH-KRWDZBQOSA-N 2 0 289.423 2.561 20 30 CFEDRP C=CC[NH+](CC=C)[C@H](CNc1cc[nH+]c(CO)c1)C(C)C ZINC000858340925 636198886 /nfs/dbraw/zinc/19/88/86/636198886.db2.gz SEIVQEMPGVIAJV-QGZVFWFLSA-N 2 0 289.423 2.684 20 30 CFEDRP C=CC[C@H]1CC[N@@H+](Cc2ncc(CN(C)C)s2)C1 ZINC000862439949 637379326 /nfs/dbraw/zinc/37/93/26/637379326.db2.gz CEIOHRFKJFXXRK-LBPRGKRZSA-N 2 0 265.426 2.603 20 30 CFEDRP C=CC[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000862441496 637380156 /nfs/dbraw/zinc/38/01/56/637380156.db2.gz RXEKEXJLOCLFJJ-KRWDZBQOSA-N 2 0 299.462 2.836 20 30 CFEDRP C#CC[C@H](COC)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000862548897 637422041 /nfs/dbraw/zinc/42/20/41/637422041.db2.gz PXTWSIGQMYWWKV-JQHSSLGASA-N 2 0 292.467 2.657 20 30 CFEDRP C[C@@H]1C[N@H+](Cc2ccccc2)CCC1=Nn1cccn1 ZINC000863166407 637577690 /nfs/dbraw/zinc/57/76/90/637577690.db2.gz ZHMZTJNADREKDP-CQSZACIVSA-N 2 0 268.364 2.629 20 30 CFEDRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000866468276 638826576 /nfs/dbraw/zinc/82/65/76/638826576.db2.gz DGNHWOGCAKWKOO-JKSUJKDBSA-N 2 0 263.429 2.779 20 30 CFEDRP C=CCOc1cccc(C[NH2+][C@H](C)C2CC[NH2+]CC2)c1 ZINC000873221980 642075222 /nfs/dbraw/zinc/07/52/22/642075222.db2.gz VMJQUKDFDRATHD-CQSZACIVSA-N 2 0 274.408 2.729 20 30 CFEDRP C[C@@H](CCC#N)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000876949083 643076539 /nfs/dbraw/zinc/07/65/39/643076539.db2.gz RQKKTYYTTQWPSN-ZDUSSCGKSA-N 2 0 251.418 2.779 20 30 CFEDRP C#CCCCCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000878157357 643766761 /nfs/dbraw/zinc/76/67/61/643766761.db2.gz ZNRAISMXCMOYPH-KRWDZBQOSA-N 2 0 262.441 2.844 20 30 CFEDRP CCCCCCC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879592393 644342360 /nfs/dbraw/zinc/34/23/60/644342360.db2.gz IYUCCJANWJCBAJ-UHFFFAOYSA-N 2 0 281.488 2.669 20 30 CFEDRP CC#CCC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879704124 644389397 /nfs/dbraw/zinc/38/93/97/644389397.db2.gz LQCZCHIOINAPRE-UHFFFAOYSA-N 2 0 250.430 2.700 20 30 CFEDRP C=CCC[C@H](O)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879703058 644389600 /nfs/dbraw/zinc/38/96/00/644389600.db2.gz CFUVLVVBQZIKDT-KRWDZBQOSA-N 2 0 282.472 2.613 20 30 CFEDRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccc(C#N)o1 ZINC000880517351 644748244 /nfs/dbraw/zinc/74/82/44/644748244.db2.gz NWLFAIUMXANIJH-UHFFFAOYSA-N 2 0 275.396 2.849 20 30 CFEDRP CCc1ccc(NC(=[NH2+])NCCC2CC[NH+](C)CC2)cc1 ZINC000303901235 651008140 /nfs/dbraw/zinc/00/81/40/651008140.db2.gz XGSHTKYEWWNLBN-UHFFFAOYSA-N 2 0 288.439 2.708 20 30 CFEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc(CC)cc2)C1 ZINC000303875829 651004806 /nfs/dbraw/zinc/00/48/06/651004806.db2.gz HTVHAOXNPAOFRA-OAHLLOKOSA-N 2 0 288.439 2.708 20 30 CFEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc(CC)cc2)C1 ZINC000303875825 651005076 /nfs/dbraw/zinc/00/50/76/651005076.db2.gz HTVHAOXNPAOFRA-HNNXBMFYSA-N 2 0 288.439 2.708 20 30 CFEDRP CCCCCCCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000303911202 651009092 /nfs/dbraw/zinc/00/90/92/651009092.db2.gz ZIGQJMNEMGGAEU-HNNXBMFYSA-N 2 0 294.487 2.736 20 30 CFEDRP CC[C@@H](C)NC(=[NH2+])NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000304005097 651012516 /nfs/dbraw/zinc/01/25/16/651012516.db2.gz SKMWWNOAIJMUMR-ZIAGYGMSSA-N 2 0 290.455 2.819 20 30 CFEDRP C=CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCO1 ZINC000883171681 645638265 /nfs/dbraw/zinc/63/82/65/645638265.db2.gz FSSYLKIZUVJGHJ-HYVNUMGLSA-N 2 0 278.440 2.574 20 30 CFEDRP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCO1 ZINC000883171683 645638830 /nfs/dbraw/zinc/63/88/30/645638830.db2.gz FSSYLKIZUVJGHJ-XIRDDKMYSA-N 2 0 278.440 2.574 20 30 CFEDRP C=CCC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)[C@H]1CCCO1 ZINC000883174221 645641084 /nfs/dbraw/zinc/64/10/84/645641084.db2.gz FLWWZUIYFWCHDA-YESZJQIVSA-N 2 0 280.456 2.822 20 30 CFEDRP CCc1cccc(CC)c1NC(=[NH2+])NCC[NH2+]C(C)(C)C ZINC000304747860 651031789 /nfs/dbraw/zinc/03/17/89/651031789.db2.gz GSKLVEJGCTWRRH-UHFFFAOYSA-N 2 0 290.455 2.926 20 30 CFEDRP CCCCNC(=[NH2+])NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000304754314 651032068 /nfs/dbraw/zinc/03/20/68/651032068.db2.gz LULDPWLWWCHVFF-AWEZNQCLSA-N 2 0 290.455 2.820 20 30 CFEDRP C=C(C)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000304759373 651032944 /nfs/dbraw/zinc/03/29/44/651032944.db2.gz RBEDLPZRKRWAEG-INIZCTEOSA-N 2 0 292.471 2.512 20 30 CFEDRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc(C#N)cn2)CC1 ZINC000886596321 647059461 /nfs/dbraw/zinc/05/94/61/647059461.db2.gz BSZWVFDKUOZDNG-UHFFFAOYSA-N 2 0 298.434 2.840 20 30 CFEDRP C[C@@H](CC(C)(C)C#N)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000924713924 648033244 /nfs/dbraw/zinc/03/32/44/648033244.db2.gz UKVZQRXWFXWPSV-ZDUSSCGKSA-N 2 0 263.429 2.779 20 30 CFEDRP C=CCSCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925591602 648230231 /nfs/dbraw/zinc/23/02/31/648230231.db2.gz RCDYNIOWZREOHK-LSDHHAIUSA-N 2 0 268.470 2.664 20 30 CFEDRP C=C(C)CN1CCC([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925608702 648237471 /nfs/dbraw/zinc/23/74/71/648237471.db2.gz HZBGMEJYBPMDNS-HOCLYGCPSA-N 2 0 279.472 2.523 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000925844596 648342088 /nfs/dbraw/zinc/34/20/88/648342088.db2.gz VNAOYWOALRHQRX-ATZDWAIDSA-N 2 0 298.430 2.881 20 30 CFEDRP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(OCC#N)cc1 ZINC000925847053 648343203 /nfs/dbraw/zinc/34/32/03/648343203.db2.gz RRVUKFTUHOOOHL-BMGDILEWSA-N 2 0 299.418 2.772 20 30 CFEDRP C=CCC[C@H](CO)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926545104 648526632 /nfs/dbraw/zinc/52/66/32/648526632.db2.gz HZXNCWJBPMKIJE-WMLDXEAASA-N 2 0 276.424 2.726 20 30 CFEDRP C[C@@H]1C[C@H]([N@H+](C)CC2CCC(C#N)CC2)CCN1C ZINC000929783648 649121350 /nfs/dbraw/zinc/12/13/50/649121350.db2.gz XGQZSGCHYYFBRB-PRLABOORSA-N 2 0 263.429 2.731 20 30 CFEDRP CC[N@H+](C)C[C@H]1CC[NH+](CC2CCC(C#N)CC2)C1 ZINC000929789447 649122871 /nfs/dbraw/zinc/12/28/71/649122871.db2.gz FOQAJDZDFXSDMP-UYSNPLJNSA-N 2 0 263.429 2.590 20 30 CFEDRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC1CCC(C#N)CC1)C2 ZINC000930602298 649284376 /nfs/dbraw/zinc/28/43/76/649284376.db2.gz PKQVJZFVGNGYNZ-OFLPRAFFSA-N 2 0 275.440 2.734 20 30 CFEDRP C[C@H](c1cccc(C#N)c1)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933732181 649717921 /nfs/dbraw/zinc/71/79/21/649717921.db2.gz LZFFOBJLHOMZNW-XOKHGSTOSA-N 2 0 269.392 2.503 20 30 CFEDRP C=CCCCC[NH+]1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001209204390 770012990 /nfs/dbraw/zinc/01/29/90/770012990.db2.gz DCAWAKDYUMYDSM-KRWDZBQOSA-N 2 0 280.456 2.918 20 30 CFEDRP CCC[NH+]1CCC([NH2+][C@H](C)CC(C)(C)C#N)CC1 ZINC000695789973 776011033 /nfs/dbraw/zinc/01/10/33/776011033.db2.gz XWLZRQMOCWJCMB-CYBMUJFWSA-N 2 0 251.418 2.779 20 30 CFEDRP C[C@H](c1cccc(O[C@H](CC#N)C[N+](C)(C)C)c1)[NH+](C)C ZINC001229626377 776858875 /nfs/dbraw/zinc/85/88/75/776858875.db2.gz LMOQZNHMVDMBKD-RHSMWYFYSA-N 2 0 290.431 2.676 20 30 CFEDRP C#C[C@](C)(CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167968603 777428949 /nfs/dbraw/zinc/42/89/49/777428949.db2.gz SXXLUUPTMUOFGJ-NPYXIHBLSA-N 2 0 260.425 2.783 20 30 CFEDRP C#CCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167975865 777445368 /nfs/dbraw/zinc/44/53/68/777445368.db2.gz XTOHMWXCXMHDKT-ALOPSCKCSA-N 2 0 260.425 2.785 20 30 CFEDRP N#Cc1ccc([O-])c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235241317 778427953 /nfs/dbraw/zinc/42/79/53/778427953.db2.gz PJRSQDNQDKZQIV-KRWDZBQOSA-N 2 0 299.418 2.618 20 30 CFEDRP N#CCCC[NH+]1CCC2(CC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001277943299 778481338 /nfs/dbraw/zinc/48/13/38/778481338.db2.gz RJDXBJSTTLSWOO-UHFFFAOYSA-N 2 0 286.423 2.606 20 30 CFEDRP [NH3+]CCC1C[NH+](Cc2ccccc2C#Cc2ccccc2)C1 ZINC001235918716 778608940 /nfs/dbraw/zinc/60/89/40/778608940.db2.gz JIJDFIXRHCYAQB-UHFFFAOYSA-N 2 0 290.410 2.867 20 30 CFEDRP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC001235929472 778613543 /nfs/dbraw/zinc/61/35/43/778613543.db2.gz PWPJUABILYKWJY-BRWVUGGUSA-N 2 0 260.425 2.830 20 30 CFEDRP C=CCCCCCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001236412462 778807457 /nfs/dbraw/zinc/80/74/57/778807457.db2.gz VBHYWZLBTZYNJQ-HOTGVXAUSA-N 2 0 296.455 2.725 20 30 CFEDRP CCC[N@@H+](Cc1ccc(C#N)c(CC)c1)C[C@H]1CC[NH2+]C1 ZINC001236844928 778963499 /nfs/dbraw/zinc/96/34/99/778963499.db2.gz XNHJRYBUOJKORY-INIZCTEOSA-N 2 0 285.435 2.942 20 30 CFEDRP C=CCCCCCCC[N@@H+]1CC[C@@]2(C1)CNCCO2 ZINC001237144530 779025247 /nfs/dbraw/zinc/02/52/47/779025247.db2.gz VMLGFGCMBIMZBB-INIZCTEOSA-N 2 0 266.429 2.577 20 30 CFEDRP C=CCc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1O ZINC001237391125 779093582 /nfs/dbraw/zinc/09/35/82/779093582.db2.gz KNDXJDVJJXGABB-WBVHZDCISA-N 2 0 286.419 2.695 20 30 CFEDRP C=CCOc1cccc(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237405125 779099114 /nfs/dbraw/zinc/09/91/14/779099114.db2.gz PRYXMGFKLDDCGY-AEFFLSMTSA-N 2 0 286.419 2.825 20 30 CFEDRP C[NH+]1CC2(C1)CC[NH+](Cc1cc(Cl)cc(C#N)c1)CC2 ZINC001237753562 779175833 /nfs/dbraw/zinc/17/58/33/779175833.db2.gz LWVGSBDUGHGDAE-UHFFFAOYSA-N 2 0 289.810 2.739 20 30 CFEDRP CCc1cc(CN2C[C@@H]3C[N@H+](CC)C[C@@H]3C2)ccc1C#N ZINC001238771702 779388155 /nfs/dbraw/zinc/38/81/55/779388155.db2.gz IRLGJOZCDJBAGL-HDICACEKSA-N 2 0 283.419 2.504 20 30 CFEDRP C=CCCCCCCC[N@H+]1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001236073756 779458263 /nfs/dbraw/zinc/45/82/63/779458263.db2.gz QTSVYYKTIVLADA-QGZVFWFLSA-N 2 0 279.472 2.620 20 30 CFEDRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(C#N)cc1 ZINC000594512063 349436345 /nfs/dbraw/zinc/43/63/45/349436345.db2.gz SWUJCCVIVSTLAG-XPKDYRNWSA-N 2 0 257.381 2.549 20 30 CFEDRP C[NH+]1CCC(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594918548 349506765 /nfs/dbraw/zinc/50/67/65/349506765.db2.gz BTZNUXUJEKSQLQ-UHFFFAOYSA-N 2 0 283.419 2.673 20 30 CFEDRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC[N@@H+]1C ZINC000594923111 349509435 /nfs/dbraw/zinc/50/94/35/349509435.db2.gz SGPIPJWHQRYTQY-WMLDXEAASA-N 2 0 283.419 2.814 20 30 CFEDRP N#Cc1ccc(CC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000595328025 349602459 /nfs/dbraw/zinc/60/24/59/349602459.db2.gz UQJURFPKZFWTMS-LJQANCHMSA-N 2 0 297.446 2.909 20 30 CFEDRP N#Cc1ccc(CC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000595328024 349602649 /nfs/dbraw/zinc/60/26/49/349602649.db2.gz UQJURFPKZFWTMS-IBGZPJMESA-N 2 0 297.446 2.909 20 30 CFEDRP N#Cc1ccc(CC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000595884972 349760802 /nfs/dbraw/zinc/76/08/02/349760802.db2.gz KEALIYSMESOROI-ROUUACIJSA-N 2 0 283.419 2.565 20 30 CFEDRP C[C@H]1CCC[N@H+](CCc2ccc(C#N)cc2)[C@@H]1CC[NH3+] ZINC000595896633 349764433 /nfs/dbraw/zinc/76/44/33/349764433.db2.gz SLOHWTNVAUNONO-WMLDXEAASA-N 2 0 271.408 2.550 20 30 CFEDRP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000036991808 346325950 /nfs/dbraw/zinc/32/59/50/346325950.db2.gz RSTGYGHRWXLGHZ-ZIAGYGMSSA-N 2 0 271.408 2.939 20 30 CFEDRP C=CCCSCC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000596649977 349968488 /nfs/dbraw/zinc/96/84/88/349968488.db2.gz HVAPLRPOKCJFDG-GFCCVEGCSA-N 2 0 279.453 2.809 20 30 CFEDRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(C#N)cc1 ZINC000596650571 349968932 /nfs/dbraw/zinc/96/89/32/349968932.db2.gz LOOAODSTICUIJO-HNAYVOBHSA-N 2 0 293.414 2.649 20 30 CFEDRP Cc1cc(C#N)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000165498680 348039703 /nfs/dbraw/zinc/03/97/03/348039703.db2.gz PTZQTMFJTMNWKS-MSOLQXFVSA-N 2 0 283.419 2.783 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000268989881 348328804 /nfs/dbraw/zinc/32/88/04/348328804.db2.gz JNAJUHXUMKQKFO-HUUCEWRRSA-N 2 0 274.408 2.689 20 30 CFEDRP C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)C1CC[NH+](C)CC1 ZINC000403981991 348589619 /nfs/dbraw/zinc/58/96/19/348589619.db2.gz GIBJSEZCZYPUEI-LBPRGKRZSA-N 2 0 275.371 2.517 20 30 CFEDRP C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)[C@H]1CC[NH3+] ZINC000404381758 348591545 /nfs/dbraw/zinc/59/15/45/348591545.db2.gz MRBYJACNOAXUPK-BBRMVZONSA-N 2 0 257.381 2.508 20 30 CFEDRP N#CCCOCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000590153445 348879322 /nfs/dbraw/zinc/87/93/22/348879322.db2.gz UGJROGNYZBCRSC-UHFFFAOYSA-N 2 0 293.455 2.505 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000591577291 349030538 /nfs/dbraw/zinc/03/05/38/349030538.db2.gz MOOFCBDGFNTQBS-CXAGYDPISA-N 2 0 269.392 2.525 20 30 CFEDRP N#Cc1cccc(C2([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000592470802 349126649 /nfs/dbraw/zinc/12/66/49/349126649.db2.gz IUAPOKSROGFQMT-BFYDXBDKSA-N 2 0 281.403 2.525 20 30 CFEDRP CC[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000593323621 349247305 /nfs/dbraw/zinc/24/73/05/349247305.db2.gz RHWLRSYGHVFGTD-QGZVFWFLSA-N 2 0 271.408 2.989 20 30 CFEDRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000593324471 349247529 /nfs/dbraw/zinc/24/75/29/349247529.db2.gz WOVDRIPJSGKUKG-BBRMVZONSA-N 2 0 257.381 2.578 20 30 CFEDRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000597177472 350045150 /nfs/dbraw/zinc/04/51/50/350045150.db2.gz MVAZQVNSSJPAQE-OAHLLOKOSA-N 2 0 295.390 2.701 20 30 CFEDRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000597177471 350045241 /nfs/dbraw/zinc/04/52/41/350045241.db2.gz MVAZQVNSSJPAQE-HNNXBMFYSA-N 2 0 295.390 2.701 20 30 CFEDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598714160 350315752 /nfs/dbraw/zinc/31/57/52/350315752.db2.gz GCSPZYNXQCCSNK-HOTGVXAUSA-N 2 0 295.471 2.531 20 30 CFEDRP C[N@@H+]1CCCC[C@@H](CNCc2ccc(C#N)cc2F)C1 ZINC000598994469 350356756 /nfs/dbraw/zinc/35/67/56/350356756.db2.gz NWKSHQALKWMLGO-AWEZNQCLSA-N 2 0 275.371 2.519 20 30 CFEDRP C[N@@H+]1CCC[C@H]1CCN1CCc2c(CC#N)cccc2C1 ZINC000599678579 350480107 /nfs/dbraw/zinc/48/01/07/350480107.db2.gz WDVFINDMHIUSBO-KRWDZBQOSA-N 2 0 283.419 2.595 20 30 CFEDRP Cc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1C#N ZINC000600709398 350598896 /nfs/dbraw/zinc/59/88/96/350598896.db2.gz JAAQELNSYRARPP-GOSISDBHSA-N 2 0 283.419 2.831 20 30 CFEDRP Cc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C#N ZINC000600709678 350599243 /nfs/dbraw/zinc/59/92/43/350599243.db2.gz PLAAYTVFUHJQHB-SJPCQFCGSA-N 2 0 269.392 2.582 20 30 CFEDRP Cc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1C#N ZINC000600708792 350599267 /nfs/dbraw/zinc/59/92/67/350599267.db2.gz GGNKVXBLMDJCNA-YOEHRIQHSA-N 2 0 271.408 2.816 20 30 CFEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000602019514 350832960 /nfs/dbraw/zinc/83/29/60/350832960.db2.gz FUMQIKBTEPXJDZ-BRWVUGGUSA-N 2 0 271.408 2.618 20 30 CFEDRP C[C@H](CCC#N)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000602477094 350898650 /nfs/dbraw/zinc/89/86/50/350898650.db2.gz QRGYQJDFXJBPJK-OAHLLOKOSA-N 2 0 265.445 2.980 20 30 CFEDRP CCCC[NH+]1CCC([NH2+]C2CCC(C#N)CC2)CC1 ZINC000602536273 350916610 /nfs/dbraw/zinc/91/66/10/350916610.db2.gz SRRJPZGMQQTNFL-UHFFFAOYSA-N 2 0 263.429 2.923 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](C)CCC#N)C[C@H]1C ZINC000602470804 350894501 /nfs/dbraw/zinc/89/45/01/350894501.db2.gz HWNDCCFQBNKBHO-ZNMIVQPWSA-N 2 0 251.418 2.731 20 30 CFEDRP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000602715925 350996962 /nfs/dbraw/zinc/99/69/62/350996962.db2.gz QARKACLAYAJDIB-HOCLYGCPSA-N 2 0 263.429 2.638 20 30 CFEDRP N#CC1CCC([NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000602717640 350997783 /nfs/dbraw/zinc/99/77/83/350997783.db2.gz PPLMDIDNGUDKHK-UHFFFAOYSA-N 2 0 275.440 2.780 20 30 CFEDRP N#CC1CCC([NH2+]C[C@@H]2CCN2C2CCCC2)CC1 ZINC000602726898 351002269 /nfs/dbraw/zinc/00/22/69/351002269.db2.gz RFRMPXHFUPLJCH-XUJLQICISA-N 2 0 261.413 2.675 20 30 CFEDRP C[NH+]1CCC2(CC[N@H+](Cc3cccc(C#N)c3F)C2)CC1 ZINC000602877834 351055410 /nfs/dbraw/zinc/05/54/10/351055410.db2.gz SIQMBWXMAVQIIG-UHFFFAOYSA-N 2 0 287.382 2.615 20 30 CFEDRP C[NH+]1CCC2(CC[N@H+](Cc3ccc(CC#N)cc3)C2)CC1 ZINC000602878030 351056251 /nfs/dbraw/zinc/05/62/51/351056251.db2.gz ORAJIDNYZMGGLN-UHFFFAOYSA-N 2 0 283.419 2.670 20 30 CFEDRP CC[NH+](CC)CC1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000610991656 351630052 /nfs/dbraw/zinc/63/00/52/351630052.db2.gz BMUDQXWUKLJWTF-UHFFFAOYSA-N 2 0 286.423 2.507 20 30 CFEDRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611439416 351690235 /nfs/dbraw/zinc/69/02/35/351690235.db2.gz KCIYRXOZOYSBHT-GOSISDBHSA-N 2 0 281.403 2.787 20 30 CFEDRP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000618801336 352883203 /nfs/dbraw/zinc/88/32/03/352883203.db2.gz ADRPYPDNCWZYOW-BQFCYCMXSA-N 2 0 281.403 2.762 20 30 CFEDRP C[C@H](c1ccc(C#N)cc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152362045 188012942 /nfs/dbraw/zinc/01/29/42/188012942.db2.gz OTCROJUSXPGKOC-GDBMZVCRSA-N 2 0 271.408 2.893 20 30 CFEDRP C=CCC1([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCOCC1 ZINC000628338372 354551250 /nfs/dbraw/zinc/55/12/50/354551250.db2.gz IOZJXZXAJPYNTK-CQSZACIVSA-N 2 0 266.429 2.574 20 30 CFEDRP C=CC[C@@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000629551426 354844908 /nfs/dbraw/zinc/84/49/08/354844908.db2.gz VOSUFMGULVUGKS-CQSZACIVSA-N 2 0 256.393 2.730 20 30 CFEDRP CC[N@@H+]1CC[C@@H](NCc2ccc(C#N)c(F)c2)[C@H](C)C1 ZINC000449734413 242124507 /nfs/dbraw/zinc/12/45/07/242124507.db2.gz BJBAILCOQZWERF-MLGOLLRUSA-N 2 0 275.371 2.517 20 30 CFEDRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(OCC#N)cc1 ZINC000045663940 373027222 /nfs/dbraw/zinc/02/72/22/373027222.db2.gz QTGRVIKWJYMDAM-AWEZNQCLSA-N 2 0 275.396 2.581 20 30 CFEDRP Cc1ccc(NC(=[NH2+])NCCC[N@@H+](C)C(C)C)cc1C ZINC000264064903 383692895 /nfs/dbraw/zinc/69/28/95/383692895.db2.gz ATLRWQPDTHNDRW-UHFFFAOYSA-N 2 0 276.428 2.760 20 30 CFEDRP CC[C@H](C)NC(=[NH2+])NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000264110312 383696775 /nfs/dbraw/zinc/69/67/75/383696775.db2.gz OPFSVJHNEDZOGK-GOEBONIOSA-N 2 0 288.439 2.526 20 30 CFEDRP CC[NH+](CC)Cc1cccc(CNC(=[NH2+])NC(C)(C)C)c1 ZINC000264103277 383697366 /nfs/dbraw/zinc/69/73/66/383697366.db2.gz ORCTXUKYAZQPPA-UHFFFAOYSA-N 2 0 290.455 2.731 20 30 CFEDRP Cc1ccc(NC(=[NH2+])NCCC2CC[NH+](C)CC2)cc1C ZINC000264126001 383697787 /nfs/dbraw/zinc/69/77/87/383697787.db2.gz WMZZPDCXOFLZKN-UHFFFAOYSA-N 2 0 288.439 2.762 20 30 CFEDRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000081096533 374686329 /nfs/dbraw/zinc/68/63/29/374686329.db2.gz CDSJWBQLWILIMT-RHSMWYFYSA-N 2 0 271.408 2.720 20 30 CFEDRP CC[N@H+](C)C[C@@H]1CC[NH+](CC(C)(C)CCC#N)C1 ZINC000093770783 375310095 /nfs/dbraw/zinc/31/00/95/375310095.db2.gz ABALDNCICSUEGN-AWEZNQCLSA-N 2 0 251.418 2.590 20 30 CFEDRP C=C(C)CNC(=[NH2+])NC[C@H](c1ccsc1)N(CC)CC ZINC000104166788 375771212 /nfs/dbraw/zinc/77/12/12/375771212.db2.gz ABWMCCDRJQAEJC-CQSZACIVSA-N 2 0 294.468 2.611 20 30 CFEDRP CCC[NH+]1CCC(N(C)CCC(C)(C)C#N)CC1 ZINC000119647025 376446091 /nfs/dbraw/zinc/44/60/91/376446091.db2.gz PVYFEHZLSKICON-UHFFFAOYSA-N 2 0 251.418 2.732 20 30 CFEDRP C[C@H]1CC[N@H+](CCC(C)(C)C#N)C[C@@H]1n1ccnc1 ZINC000119977811 376519668 /nfs/dbraw/zinc/51/96/68/376519668.db2.gz ANEKKFNZXHKBGL-KBPBESRZSA-N 2 0 260.385 2.706 20 30 CFEDRP C[C@@H]1C[C@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)CN1C1CC1 ZINC000127603376 377290212 /nfs/dbraw/zinc/29/02/12/377290212.db2.gz ACRYBZNZIUUPAX-IGGSBBPBSA-N 2 0 295.430 2.825 20 30 CFEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000264297518 383722712 /nfs/dbraw/zinc/72/27/12/383722712.db2.gz QWZOTTBXMIQAID-CQSZACIVSA-N 2 0 276.428 2.760 20 30 CFEDRP C=CCC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccco1 ZINC000278487357 194007897 /nfs/dbraw/zinc/00/78/97/194007897.db2.gz BEZCAKLQAYZMAV-MRXNPFEDSA-N 2 0 291.439 2.514 20 30 CFEDRP C=C(C)[C@H](CO)[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000679873502 542245734 /nfs/dbraw/zinc/24/57/34/542245734.db2.gz KOKKJHDIOUNEJW-KRWDZBQOSA-N 2 0 282.472 2.757 20 30 CFEDRP CC1CC[NH+](CCCC[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000174272926 379855390 /nfs/dbraw/zinc/85/53/90/379855390.db2.gz PBMWLLOIAPIROG-UHFFFAOYSA-N 2 0 275.396 2.753 20 30 CFEDRP C[C@@H](C#N)C[NH+](C)CC[C@H](C)CC[N@H+](C)C[C@H](C)C#N ZINC000411225824 381018393 /nfs/dbraw/zinc/01/83/93/381018393.db2.gz MEZHXXGYSZIYHG-PHZGNYQRSA-N 2 0 278.444 2.586 20 30 CFEDRP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(C)(C)CCC#N)C2)C1 ZINC000354168249 381118990 /nfs/dbraw/zinc/11/89/90/381118990.db2.gz WQNQPZFEAUTWPJ-MRXNPFEDSA-N 2 0 263.429 2.734 20 30 CFEDRP C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000354100047 381078406 /nfs/dbraw/zinc/07/84/06/381078406.db2.gz JTNAIOAYGQAVOX-AWEZNQCLSA-N 2 0 289.448 2.783 20 30 CFEDRP C=CC[N@@H+](CCc1cncn1C)Cc1ccc(OC)cc1 ZINC000290067173 381283162 /nfs/dbraw/zinc/28/31/62/381283162.db2.gz PTGUYWASUAYFEX-UHFFFAOYSA-N 2 0 285.391 2.659 20 30 CFEDRP N#Cc1cccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000298341815 381585084 /nfs/dbraw/zinc/58/50/84/381585084.db2.gz JIRBGMDOIXBOBM-UHFFFAOYSA-N 2 0 292.386 2.712 20 30 CFEDRP C[C@@H](c1ccc(C#N)cc1)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292270514 381798254 /nfs/dbraw/zinc/79/82/54/381798254.db2.gz ZOVIGTMPUHHCHG-YOEHRIQHSA-N 2 0 269.392 2.647 20 30 CFEDRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185881082 381767860 /nfs/dbraw/zinc/76/78/60/381767860.db2.gz INWYNOCAKASQAZ-PBHICJAKSA-N 2 0 271.408 2.920 20 30 CFEDRP C=CCC[C@H](CC)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000360245806 381773799 /nfs/dbraw/zinc/77/37/99/381773799.db2.gz QQOAKXZXXNMEMB-HNNXBMFYSA-N 2 0 268.445 2.556 20 30 CFEDRP C=CCOCC[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000361742094 381858978 /nfs/dbraw/zinc/85/89/78/381858978.db2.gz CRBFSMPXWJIPGN-UHFFFAOYSA-N 2 0 280.456 2.823 20 30 CFEDRP C=CCCCCC[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000373241415 381957674 /nfs/dbraw/zinc/95/76/74/381957674.db2.gz FWHCQJZLMWKKFL-SFHVURJKSA-N 2 0 293.499 2.692 20 30 CFEDRP C=CCCC[N@@H+](C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420294937 382345110 /nfs/dbraw/zinc/34/51/10/382345110.db2.gz BOAYBRQVXCTISW-OAHLLOKOSA-N 2 0 262.397 2.636 20 30 CFEDRP CC1CCN(C(=[NH2+])NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000303358401 382356885 /nfs/dbraw/zinc/35/68/85/382356885.db2.gz AJVHLBUXRGQAPR-RDJZCZTQSA-N 2 0 294.487 2.544 20 30 CFEDRP C=CC[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(OC)cc1 ZINC000420320575 382366306 /nfs/dbraw/zinc/36/63/06/382366306.db2.gz QRCYMTTZNQAFGR-HNNXBMFYSA-N 2 0 274.408 2.683 20 30 CFEDRP C=CC[N@@H+](CCc1ccccc1)CC[C@H]1CC[NH2+]C1 ZINC000420319362 382367377 /nfs/dbraw/zinc/36/73/77/382367377.db2.gz PJGLWDAGXUPSGD-QGZVFWFLSA-N 2 0 258.409 2.717 20 30 CFEDRP C=CC[N@H+](CC[C@H]1CC[NH2+]C1)Cc1cccs1 ZINC000420328557 382373202 /nfs/dbraw/zinc/37/32/02/382373202.db2.gz ZYFFVESAJZJSGO-CYBMUJFWSA-N 2 0 250.411 2.736 20 30 CFEDRP C=CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000358292067 382551579 /nfs/dbraw/zinc/55/15/79/382551579.db2.gz GXHMSLDGVIJRBV-KSZLIROESA-N 2 0 292.467 2.699 20 30 CFEDRP C[C@@H]1CN(C)C[C@H]1[NH2+][C@H](CCC#N)c1ccccc1 ZINC000358331417 382572577 /nfs/dbraw/zinc/57/25/77/382572577.db2.gz SQBUZWLCVPMWRD-FVQBIDKESA-N 2 0 257.381 2.571 20 30 CFEDRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cccc(C#N)c1 ZINC000423270549 383054044 /nfs/dbraw/zinc/05/40/44/383054044.db2.gz GQVDZMJVMUYSGZ-RCBQFDQVSA-N 2 0 257.381 2.726 20 30 CFEDRP C=CCCCC[C@@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000449195966 383183542 /nfs/dbraw/zinc/18/35/42/383183542.db2.gz XFZXMKMNPNJQRB-MRXNPFEDSA-N 2 0 282.472 2.946 20 30 CFEDRP C=CCCCC[C@@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000449225615 383184582 /nfs/dbraw/zinc/18/45/82/383184582.db2.gz UOCBTNBMCRIGKG-MRXNPFEDSA-N 2 0 281.488 2.737 20 30 CFEDRP N#C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000516174715 383162324 /nfs/dbraw/zinc/16/23/24/383162324.db2.gz QDQSGINDLRTPIP-YQYZPQCESA-N 2 0 297.402 2.524 20 30 CFEDRP C=CC[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000248531794 383254751 /nfs/dbraw/zinc/25/47/51/383254751.db2.gz YDYCUYDWYOIPJF-OIISXLGYSA-N 2 0 280.456 2.556 20 30 CFEDRP Cc1cc(NCCCC[N@H+]2CCCC[C@H]2C)c(C#N)cn1 ZINC000425201383 383339523 /nfs/dbraw/zinc/33/95/23/383339523.db2.gz AAODUFNDHGVDTC-OAHLLOKOSA-N 2 0 286.423 2.750 20 30 CFEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000248911417 383308105 /nfs/dbraw/zinc/30/81/05/383308105.db2.gz VKOJDEXGOMKSAE-XHSDSOJGSA-N 2 0 263.429 2.779 20 30 CFEDRP C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449520378 383353441 /nfs/dbraw/zinc/35/34/41/383353441.db2.gz PEEMZMMIMIKOQQ-HPBDAGMYSA-N 2 0 292.467 2.963 20 30 CFEDRP C=CCCC(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000635021953 383473501 /nfs/dbraw/zinc/47/35/01/383473501.db2.gz QINGPWRCXFXWJD-QLFBSQMISA-N 2 0 250.430 2.957 20 30 CFEDRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000569662306 383523564 /nfs/dbraw/zinc/52/35/64/383523564.db2.gz MIAACEOCZGXAAC-QQFBHYJXSA-N 2 0 263.429 2.779 20 30 CFEDRP C=CCOc1ccccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430956698 383616736 /nfs/dbraw/zinc/61/67/36/383616736.db2.gz PUASWWVNTOSLEC-UHFFFAOYSA-N 2 0 286.419 2.827 20 30 CFEDRP C#CCCOc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000264963660 383808370 /nfs/dbraw/zinc/80/83/70/383808370.db2.gz OVBNCJCJNZPSAP-HNNXBMFYSA-N 2 0 274.408 2.519 20 30 CFEDRP CC(C)C[C@H](CNC(=[NH2+])N(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000267473322 384399567 /nfs/dbraw/zinc/39/95/67/384399567.db2.gz YPGLJLQAOCJAAG-GDBMZVCRSA-N 2 0 290.455 2.628 20 30 CFEDRP CCC#C[C@H](C)[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000682535777 542564415 /nfs/dbraw/zinc/56/44/15/542564415.db2.gz IPOQYZMCWCVUHV-YESZJQIVSA-N 2 0 280.456 2.515 20 30 CFEDRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(C#N)c1 ZINC000423346332 533355995 /nfs/dbraw/zinc/35/59/95/533355995.db2.gz ZWPZXWNGUDFNLU-CYBMUJFWSA-N 2 0 257.381 2.599 20 30 CFEDRP C=CCCCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000683782183 542723604 /nfs/dbraw/zinc/72/36/04/542723604.db2.gz MWEGTQYWZDIXFK-UHFFFAOYSA-N 2 0 259.397 2.950 20 30 CFEDRP CC(C)([NH3+])C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000335598746 393683203 /nfs/dbraw/zinc/68/32/03/393683203.db2.gz MCRGKJWYIBPDPW-OAHLLOKOSA-N 2 0 257.381 2.653 20 30 CFEDRP N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000338999079 393808337 /nfs/dbraw/zinc/80/83/37/393808337.db2.gz BCRVKQXMAQOWHJ-OAGGEKHMSA-N 2 0 261.413 2.629 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000339085126 393816726 /nfs/dbraw/zinc/81/67/26/393816726.db2.gz PCQVNNMOWNMTRX-ZJIFWQFVSA-N 2 0 275.440 2.921 20 30 CFEDRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCCC#N)CC2)C1 ZINC000346326691 393926716 /nfs/dbraw/zinc/92/67/16/393926716.db2.gz YVWOOKUEAZNSJG-HOCLYGCPSA-N 2 0 263.429 2.923 20 30 CFEDRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCCC#N)CC1 ZINC000346334331 393927551 /nfs/dbraw/zinc/92/75/51/393927551.db2.gz QVJCAUQMWJSNFY-ZBFHGGJFSA-N 2 0 263.429 2.923 20 30 CFEDRP C=CCCC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435615986 394018660 /nfs/dbraw/zinc/01/86/60/394018660.db2.gz JNFQYQPHSXMLBY-KRWDZBQOSA-N 2 0 273.424 2.992 20 30 CFEDRP C#CC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000366793414 394248013 /nfs/dbraw/zinc/24/80/13/394248013.db2.gz YDDAOLLZCRSOFI-WZGPROSRSA-N 2 0 282.431 2.898 20 30 CFEDRP C[NH+](C)CC1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421341761 394191844 /nfs/dbraw/zinc/19/18/44/394191844.db2.gz LUPVHJPURGRHDD-UHFFFAOYSA-N 2 0 289.398 2.907 20 30 CFEDRP N#Cc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000421350479 394194771 /nfs/dbraw/zinc/19/47/71/394194771.db2.gz LTMRCNSSPYOMON-UHFFFAOYSA-N 2 0 298.415 2.773 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000151118433 394261182 /nfs/dbraw/zinc/26/11/82/394261182.db2.gz MKQKOBCFVMUYDC-GDBMZVCRSA-N 2 0 286.419 2.966 20 30 CFEDRP CC[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(C#N)cc1 ZINC000423556923 394297011 /nfs/dbraw/zinc/29/70/11/394297011.db2.gz NCMFLMLIDPBYRB-INIZCTEOSA-N 2 0 257.381 2.741 20 30 CFEDRP C=CCCCC[C@@H](C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648450311 395148410 /nfs/dbraw/zinc/14/84/10/395148410.db2.gz AFUKVGWTSLIGSU-SJORKVTESA-N 2 0 293.499 2.879 20 30 CFEDRP C=C(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000647793837 395431250 /nfs/dbraw/zinc/43/12/50/395431250.db2.gz JPDGETNPYCKSRC-IXDOHACOSA-N 2 0 256.393 2.678 20 30 CFEDRP C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650753120 397882940 /nfs/dbraw/zinc/88/29/40/397882940.db2.gz HAZYZFIBZVKMLC-RYUDHWBXSA-N 2 0 250.361 2.975 20 30 CFEDRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000349721094 163008376 /nfs/dbraw/zinc/00/83/76/163008376.db2.gz LXDDEBUXWKRFMC-HNNXBMFYSA-N 2 0 289.423 2.567 20 30 CFEDRP C[C@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)C[NH+]1CCCC1 ZINC000353414623 163360894 /nfs/dbraw/zinc/36/08/94/163360894.db2.gz UAPLLXPIMUJSAV-KDOFPFPSSA-N 2 0 283.419 2.867 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000353422489 163363263 /nfs/dbraw/zinc/36/32/63/163363263.db2.gz BWAGAYNBNGFFGH-KBXCAEBGSA-N 2 0 281.403 2.619 20 30 CFEDRP CC1(C)CC([NH2+]Cc2cccc(C#N)c2)CC(C)(C)[NH2+]1 ZINC000020143193 171028985 /nfs/dbraw/zinc/02/89/85/171028985.db2.gz GRCVYFRVKCHUMZ-UHFFFAOYSA-N 2 0 271.408 2.957 20 30 CFEDRP C=CC[C@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(CC)CC2)C1 ZINC000651676921 413560992 /nfs/dbraw/zinc/56/09/92/413560992.db2.gz RRMUGVZIUYPOGY-ROUUACIJSA-N 2 0 293.499 2.739 20 30 CFEDRP C=CC[C@H]1CC[C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C1 ZINC000651706066 413581399 /nfs/dbraw/zinc/58/13/99/413581399.db2.gz QYWPBTBELOUIIM-WMZOPIPTSA-N 2 0 293.499 2.594 20 30 CFEDRP C=CC[C@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000651732252 413598232 /nfs/dbraw/zinc/59/82/32/413598232.db2.gz OCHHXUKYFZEKMB-HOTGVXAUSA-N 2 0 280.456 2.556 20 30 CFEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000657837043 413990381 /nfs/dbraw/zinc/99/03/81/413990381.db2.gz XNZNRAYKQUVDNL-ZWKOTPCHSA-N 2 0 293.499 2.739 20 30 CFEDRP C=CCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327167 414507263 /nfs/dbraw/zinc/50/72/63/414507263.db2.gz DWPXTLFGCFUIFW-UHFFFAOYSA-N 2 0 288.439 2.632 20 30 CFEDRP C=CCCCC[C@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000449130164 260236671 /nfs/dbraw/zinc/23/66/71/260236671.db2.gz FTZZMXUGRZIMIY-SJORKVTESA-N 2 0 281.488 2.594 20 30 CFEDRP C[NH+]1CCC(CC[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449131317 260236996 /nfs/dbraw/zinc/23/69/96/260236996.db2.gz LUXZDJAJSPNXIQ-UHFFFAOYSA-N 2 0 263.429 2.780 20 30 CFEDRP C=CCOc1ccccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414763549 263040447 /nfs/dbraw/zinc/04/04/47/263040447.db2.gz CCCQNAHDPYSSTB-IYBDPMFKSA-N 2 0 286.419 2.683 20 30 CFEDRP C=CCOc1ccccc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415004249 263209340 /nfs/dbraw/zinc/20/93/40/263209340.db2.gz YCGABKNJLQEXKI-ZBFHGGJFSA-N 2 0 274.408 2.859 20 30 CFEDRP C=CCOc1cccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415007058 263219581 /nfs/dbraw/zinc/21/95/81/263219581.db2.gz LCJVKUYWVUWTCP-ZWKOTPCHSA-N 2 0 286.419 2.729 20 30 CFEDRP C=CCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000415138264 263276228 /nfs/dbraw/zinc/27/62/28/263276228.db2.gz YSCSYVUJQFPQNR-GOEBONIOSA-N 2 0 274.408 2.668 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CCC#N)[C@@H]2CCC[C@H]21 ZINC000367904954 267126444 /nfs/dbraw/zinc/12/64/44/267126444.db2.gz SMUOQMMDMKMENM-SOUVJXGZSA-N 2 0 263.429 2.779 20 30 CFEDRP CC#CCC[NH+]1CCCC2(CCC[N@@H+](CCC#CC)C2)C1 ZINC000368069671 267143877 /nfs/dbraw/zinc/14/38/77/267143877.db2.gz ASAZPFSQXZUADN-UHFFFAOYSA-N 2 0 286.463 2.991 20 30 CFEDRP CC#CCC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000368139810 267147755 /nfs/dbraw/zinc/14/77/55/267147755.db2.gz VRTUKKHUHDWBEB-UHFFFAOYSA-N 2 0 271.408 2.643 20 30 CFEDRP CC[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(C#N)cc1 ZINC000530217656 267198282 /nfs/dbraw/zinc/19/82/82/267198282.db2.gz UXVNUXDGCGRRBT-CVEARBPZSA-N 2 0 269.392 2.884 20 30 CFEDRP N#CCSCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371208526 267370718 /nfs/dbraw/zinc/37/07/18/267370718.db2.gz OYVRKUGXZDORDZ-INIZCTEOSA-N 2 0 295.496 2.831 20 30 CFEDRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000336487519 273868301 /nfs/dbraw/zinc/86/83/01/273868301.db2.gz VYWPCYZKGGFUGR-QGZVFWFLSA-N 2 0 283.419 2.867 20 30 CFEDRP N#C[C@H]1CCC[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000335020271 303166993 /nfs/dbraw/zinc/16/69/93/303166993.db2.gz HFMLFHKSGMDLOY-RLIYEPBISA-N 2 0 287.451 2.812 20 30 CFEDRP CCCCNC(=[NH2+])NCc1ccccc1C[NH+](CC)CC ZINC000264147314 328157544 /nfs/dbraw/zinc/15/75/44/328157544.db2.gz YFVLLXDCVOQYOG-UHFFFAOYSA-N 2 0 290.455 2.733 20 30 CFEDRP C=CCOc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000414980363 328285905 /nfs/dbraw/zinc/28/59/05/328285905.db2.gz WINWLRDBJKYELV-MRXNPFEDSA-N 2 0 274.408 2.873 20 30 CFEDRP C[N@H+](CC(C)(C)CCC#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377630125 329021866 /nfs/dbraw/zinc/02/18/66/329021866.db2.gz SKEKNKJQEMFMIS-YIONKMFJSA-N 2 0 263.429 2.873 20 30 CFEDRP C#CCC[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000378321684 329046098 /nfs/dbraw/zinc/04/60/98/329046098.db2.gz BHMFSGSRRWKMFF-GOSISDBHSA-N 2 0 270.420 2.996 20 30 CFEDRP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1CC[NH2+]CC1 ZINC000178968230 329203161 /nfs/dbraw/zinc/20/31/61/329203161.db2.gz VPFRDIYFOBJEBU-UHFFFAOYSA-N 2 0 289.379 2.582 20 30 CFEDRP C[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)N1CCC(C)CC1 ZINC000185803170 329329441 /nfs/dbraw/zinc/32/94/41/329329441.db2.gz CRZQSPRUOZFWIP-PMPSAXMXSA-N 2 0 263.429 2.779 20 30 CFEDRP CCCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185799390 329332030 /nfs/dbraw/zinc/33/20/30/329332030.db2.gz PJALTOSXLVZLFF-ZBFHGGJFSA-N 2 0 263.429 2.923 20 30 CFEDRP C=CCOc1cccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262127008 330000177 /nfs/dbraw/zinc/00/01/77/330000177.db2.gz XUIOEGBIPXFZMX-UHFFFAOYSA-N 2 0 286.419 2.827 20 30 CFEDRP C=CCOc1ccccc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422906786 330159884 /nfs/dbraw/zinc/15/98/84/330159884.db2.gz KJFMKEXQIQGWTD-HOCLYGCPSA-N 2 0 274.408 2.859 20 30 CFEDRP N#CCCCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422971072 330164584 /nfs/dbraw/zinc/16/45/84/330164584.db2.gz HQJFKTKXEUKXLD-RDJZCZTQSA-N 2 0 285.391 2.526 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423097912 330169874 /nfs/dbraw/zinc/16/98/74/330169874.db2.gz BRCJLYRWCTVJBN-RHSMWYFYSA-N 2 0 274.408 2.729 20 30 CFEDRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)CCC#N ZINC000423119122 330171090 /nfs/dbraw/zinc/17/10/90/330171090.db2.gz DHMFHGKFQMHCMR-HOCLYGCPSA-N 2 0 273.424 2.864 20 30 CFEDRP C=C(CC)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423167542 330174226 /nfs/dbraw/zinc/17/42/26/330174226.db2.gz XBKVJTUHRAZOON-RDJZCZTQSA-N 2 0 272.392 2.798 20 30 CFEDRP N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CCC[NH2+]2)CC1 ZINC000423229240 330180669 /nfs/dbraw/zinc/18/06/69/330180669.db2.gz ALAOHCZDYBSPOO-ADKAHSJRSA-N 2 0 283.419 2.732 20 30 CFEDRP CC(C)([NH3+])C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423289342 330186619 /nfs/dbraw/zinc/18/66/19/330186619.db2.gz WWGKBUFZGKLZHL-UHFFFAOYSA-N 2 0 271.408 2.717 20 30 CFEDRP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424187222 330320016 /nfs/dbraw/zinc/32/00/16/330320016.db2.gz AMNKNDYBRFNQBO-OWLYRPNTSA-N 2 0 283.419 2.789 20 30 CFEDRP C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000449524200 330933734 /nfs/dbraw/zinc/93/37/34/330933734.db2.gz ZMYBTEWFFGKFLE-DDBAPUKQSA-N 2 0 292.467 2.963 20 30 CFEDRP C[NH+](C)CCCC1CC[NH+](CC2(C#N)CCC2)CC1 ZINC000450658483 330991796 /nfs/dbraw/zinc/99/17/96/330991796.db2.gz NLGZDWNOXHWXRZ-UHFFFAOYSA-N 2 0 263.429 2.734 20 30 CFEDRP C(#CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459765267 331299344 /nfs/dbraw/zinc/29/93/44/331299344.db2.gz DHGDWLRJJJRFRV-ZMSHIADSSA-N 2 0 272.436 2.546 20 30 CFEDRP C#C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C(C)(C)C ZINC000491231266 332170976 /nfs/dbraw/zinc/17/09/76/332170976.db2.gz RPVOKZZUTWFYKC-AWEZNQCLSA-N 2 0 250.430 2.887 20 30 CFEDRP CC#CCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309741911 333048471 /nfs/dbraw/zinc/04/84/71/333048471.db2.gz WEDXAFRDLVDTDS-CEXWTWQISA-N 2 0 282.431 2.900 20 30 CFEDRP CC1(C)CC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC(C)(C)[NH2+]1 ZINC000192613434 333236846 /nfs/dbraw/zinc/23/68/46/333236846.db2.gz WFEFFEOHUSXPLI-QWHCGFSZSA-N 2 0 263.429 2.968 20 30 CFEDRP C=CCOc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000345148181 335301461 /nfs/dbraw/zinc/30/14/61/335301461.db2.gz VSVUFQQKTXUQKU-UHFFFAOYSA-N 2 0 272.392 2.603 20 30 CFEDRP C=C(C)CN1CCC([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000177697726 335379722 /nfs/dbraw/zinc/37/97/22/335379722.db2.gz DZXCCUIAZGCUTD-UHFFFAOYSA-N 2 0 275.421 2.750 20 30 CFEDRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1C#N ZINC000423120030 533897986 /nfs/dbraw/zinc/89/79/86/533897986.db2.gz FQSCUFYHXOWWPE-IXDOHACOSA-N 2 0 299.418 2.577 20 30 CFEDRP C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)C[NH+]1CCCC1 ZINC000062077864 524747951 /nfs/dbraw/zinc/74/79/51/524747951.db2.gz FMXCQFOLRUQTJS-GJZGRUSLSA-N 2 0 271.408 2.941 20 30 CFEDRP CC(C)(C#N)CC[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000347069959 527468417 /nfs/dbraw/zinc/46/84/17/527468417.db2.gz CPHNNMKYRPTYJS-ROUUACIJSA-N 2 0 297.446 2.990 20 30 CFEDRP CC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423244143 529169199 /nfs/dbraw/zinc/16/91/99/529169199.db2.gz HIKPNBRIPNSMDC-GDBMZVCRSA-N 2 0 257.381 2.599 20 30 CFEDRP C[NH+](C)CCC1CC[NH+](Cc2csc(C#N)c2)CC1 ZINC000891776278 617746871 /nfs/dbraw/zinc/74/68/71/617746871.db2.gz ZBVRKXOMGHKEFB-UHFFFAOYSA-N 2 0 277.437 2.783 20 30 CFEDRP C[N@@H+]1CCC[C@H]2CN(Cc3csc(C#N)c3)CC[C@H]21 ZINC000892228634 618015743 /nfs/dbraw/zinc/01/57/43/618015743.db2.gz POTDFJYOYUKWMD-DZGCQCFKSA-N 2 0 275.421 2.536 20 30 CFEDRP C#CCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310030563 618262266 /nfs/dbraw/zinc/26/22/66/618262266.db2.gz XNOGBZZILFOEMQ-OALUTQOASA-N 2 0 282.431 2.854 20 30 CFEDRP CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C[C@@H]([NH3+])C1 ZINC000925607175 618295673 /nfs/dbraw/zinc/29/56/73/618295673.db2.gz AHRBXLRUCIYSAJ-KGLIPLIRSA-N 2 0 275.371 2.693 20 30 CFEDRP C[NH+](C)Cc1cccc(C[NH2+]CC#Cc2ccccc2)c1 ZINC000893334016 618395379 /nfs/dbraw/zinc/39/53/79/618395379.db2.gz XHVGJHYAGPXDJX-UHFFFAOYSA-N 2 0 278.399 2.890 20 30 CFEDRP N#CCC1(C[NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925658732 618416698 /nfs/dbraw/zinc/41/66/98/618416698.db2.gz ZHWSZISSHRMIAF-OAHLLOKOSA-N 2 0 257.381 2.750 20 30 CFEDRP CCNC(NCC1([NH+]2CCCCC2)CCCCC1)=[NH+]CC ZINC000727242680 618468538 /nfs/dbraw/zinc/46/85/38/618468538.db2.gz FJCLOJCRGKFRGR-UHFFFAOYSA-N 2 0 294.487 2.750 20 30 CFEDRP C[C@H](CCC#N)C[N@@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000895382069 618560578 /nfs/dbraw/zinc/56/05/78/618560578.db2.gz ZKJAFTAGPQSPSZ-OWCLPIDISA-N 2 0 265.445 2.978 20 30 CFEDRP C=CCCCCC[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816087 619134909 /nfs/dbraw/zinc/13/49/09/619134909.db2.gz DNCZACJFEWEHEB-OAHLLOKOSA-N 2 0 267.461 2.524 20 30 CFEDRP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1C#N ZINC000925841878 619175384 /nfs/dbraw/zinc/17/53/84/619175384.db2.gz UIZBQVWZCZWWDH-HZPDHXFCSA-N 2 0 271.408 2.862 20 30 CFEDRP CC1([NH+]2CCCC2)CCC([NH2+]CC2(C#N)CC2)CC1 ZINC000903109409 621256499 /nfs/dbraw/zinc/25/64/99/621256499.db2.gz PAHFEXVLBAXLIK-UHFFFAOYSA-N 2 0 261.413 2.677 20 30 CFEDRP N#Cc1cc(Cl)cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000903453108 621387663 /nfs/dbraw/zinc/38/76/63/621387663.db2.gz ZNJQPVUDHYLPRS-UHFFFAOYSA-N 2 0 289.810 2.787 20 30 CFEDRP N#CCc1cccc2c1CC[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903935150 621477422 /nfs/dbraw/zinc/47/74/22/621477422.db2.gz OLCNMKPMNOFXQM-DODVFSASSA-N 2 0 295.430 2.641 20 30 CFEDRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000903949401 621486475 /nfs/dbraw/zinc/48/64/75/621486475.db2.gz AMKSRCSISABNRZ-IOASZLSFSA-N 2 0 257.381 2.739 20 30 CFEDRP C=CCOc1cccc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000904412306 621593466 /nfs/dbraw/zinc/59/34/66/621593466.db2.gz RWTQSKYFFXNWBC-GDBMZVCRSA-N 2 0 274.408 2.668 20 30 CFEDRP N#CCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000905709985 621825684 /nfs/dbraw/zinc/82/56/84/621825684.db2.gz SRYURSZKUSOBHI-FGTMMUONSA-N 2 0 283.419 2.790 20 30 CFEDRP c1nncn1[NH+]=C1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]12 ZINC000834911591 625920180 /nfs/dbraw/zinc/92/01/80/625920180.db2.gz DBUFKBGFRCJKQW-RDJZCZTQSA-N 2 0 295.390 2.557 20 30 CFEDRP N#Cc1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cs1 ZINC000922265451 626256030 /nfs/dbraw/zinc/25/60/30/626256030.db2.gz CDMLQMIGAIYMKC-UHFFFAOYSA-N 2 0 289.448 2.831 20 30 CFEDRP C#CCC[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000771476122 627607107 /nfs/dbraw/zinc/60/71/07/627607107.db2.gz ROFYVALITPVGQM-UHFFFAOYSA-N 2 0 262.441 2.844 20 30 CFEDRP C#CCC[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000782527628 628643175 /nfs/dbraw/zinc/64/31/75/628643175.db2.gz MMMWGYVKWBZHOD-UHFFFAOYSA-N 2 0 250.430 2.844 20 30 CFEDRP C#CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000796816888 629971287 /nfs/dbraw/zinc/97/12/87/629971287.db2.gz NBLJLGSGNUEUFU-KZNAEPCWSA-N 2 0 298.430 2.661 20 30 CFEDRP C#Cc1ccc(C[N@H+](CCC)CCC[NH+](C)C)cc1 ZINC000809754601 631281233 /nfs/dbraw/zinc/28/12/33/631281233.db2.gz DASUTYWXCZQOCM-UHFFFAOYSA-N 2 0 258.409 2.832 20 30 CFEDRP C=CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccncc1 ZINC000843341381 631931261 /nfs/dbraw/zinc/93/12/61/631931261.db2.gz CNDCLBJPBPVGSZ-NXOAAHMSSA-N 2 0 271.408 2.677 20 30 CFEDRP C#C[C@@H](C)[NH+](C)Cc1cc(C[N@H+](C)[C@H](C)C#C)cc(OC)c1 ZINC000814633619 632100276 /nfs/dbraw/zinc/10/02/76/632100276.db2.gz HLWOIIBKFQPAFA-HZPDHXFCSA-N 2 0 298.430 2.602 20 30 CFEDRP C=CCc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc(OC)c1OC ZINC000817908725 632730299 /nfs/dbraw/zinc/73/02/99/632730299.db2.gz IAQRNTBVAZWKGQ-STQMWFEESA-N 2 0 292.423 2.648 20 30 CFEDRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1C#N ZINC000817915726 632732133 /nfs/dbraw/zinc/73/21/33/632732133.db2.gz QNDBATXEWWXPKT-BRWVUGGUSA-N 2 0 299.418 2.577 20 30 CFEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000817919990 632734713 /nfs/dbraw/zinc/73/47/13/632734713.db2.gz YCCMBUXORGKEFV-INMHGKMJSA-N 2 0 287.407 2.585 20 30 CFEDRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc(OCC#N)cc1 ZINC000817960828 632759498 /nfs/dbraw/zinc/75/94/98/632759498.db2.gz SAQYUXWDIYVWLK-LXZKKBNFSA-N 2 0 287.407 2.757 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000817980426 632777095 /nfs/dbraw/zinc/77/70/95/632777095.db2.gz LDRMBCSQOXRBOE-WBVHZDCISA-N 2 0 286.419 2.881 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(OCC#N)cc1 ZINC000817987539 632782351 /nfs/dbraw/zinc/78/23/51/632782351.db2.gz UFAXJOKRALFUFY-PQEBFOHHSA-N 2 0 299.418 2.628 20 30 CFEDRP C=CCCCCCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000849076803 633483919 /nfs/dbraw/zinc/48/39/19/633483919.db2.gz XKKLDJFCXJBWCK-OAHLLOKOSA-N 2 0 280.460 2.721 20 30 CFEDRP C[NH+]1CCN(c2ccc(C=[NH+]OCC3CCC3)cc2)CC1 ZINC000853439140 635000041 /nfs/dbraw/zinc/00/00/41/635000041.db2.gz CELXKLPYMPRIAJ-UHFFFAOYSA-N 2 0 287.407 2.589 20 30 CFEDRP C#CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000113340207 635555868 /nfs/dbraw/zinc/55/58/68/635555868.db2.gz QAZCFZLMAHFZKH-KRWDZBQOSA-N 2 0 286.419 2.520 20 30 CFEDRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000865716593 638531246 /nfs/dbraw/zinc/53/12/46/638531246.db2.gz ATZRRQYHSGLUGY-UHFFFAOYSA-N 2 0 275.396 2.751 20 30 CFEDRP C=CCOc1ccccc1C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873224264 642077519 /nfs/dbraw/zinc/07/75/19/642077519.db2.gz YSQHHHMYNBLHCV-AWEZNQCLSA-N 2 0 274.408 2.729 20 30 CFEDRP C=CC(C)(C)CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000873278894 642116256 /nfs/dbraw/zinc/11/62/56/642116256.db2.gz ABOINFXCJORUIY-QLFBSQMISA-N 2 0 250.430 2.957 20 30 CFEDRP C#CCCCCCC[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC000876989251 643095024 /nfs/dbraw/zinc/09/50/24/643095024.db2.gz WMVNNMVRFBTHTC-MRXNPFEDSA-N 2 0 250.430 2.892 20 30 CFEDRP C#CCCCCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000877551915 643352789 /nfs/dbraw/zinc/35/27/89/643352789.db2.gz OCFDPWFTGOBDEP-QGZVFWFLSA-N 2 0 262.441 2.988 20 30 CFEDRP C#CCCCCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000878134044 643754573 /nfs/dbraw/zinc/75/45/73/643754573.db2.gz OLFOENQDUOVPHR-QGZVFWFLSA-N 2 0 262.441 2.988 20 30 CFEDRP C=CCCCC[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879125662 644152533 /nfs/dbraw/zinc/15/25/33/644152533.db2.gz FNZLMWQSCPYHES-UHFFFAOYSA-N 2 0 268.445 2.633 20 30 CFEDRP C[N@H+](CCC[NH+]1CCCCC1)CCc1cccc(C#N)c1 ZINC000879433059 644270314 /nfs/dbraw/zinc/27/03/14/644270314.db2.gz OIJCAHXGUSKDGS-UHFFFAOYSA-N 2 0 285.435 2.909 20 30 CFEDRP CCc1cccc(CC)c1NC(=[NH2+])NCC[NH+](CC)CC ZINC000303699310 650999235 /nfs/dbraw/zinc/99/92/35/650999235.db2.gz GWKANAILTMNUFV-UHFFFAOYSA-N 2 0 290.455 2.880 20 30 CFEDRP CCC(CC)[C@@H](CNC(=[NH2+])NC(C)(C)C)[NH+]1CCCC1 ZINC000303782351 651002052 /nfs/dbraw/zinc/00/20/52/651002052.db2.gz NDJSQSRPLSYXNP-CQSZACIVSA-N 2 0 282.476 2.590 20 30 CFEDRP CCCCCCNC(=[NH2+])NCCCC[NH+]1CCC(C)CC1 ZINC000303899332 651008327 /nfs/dbraw/zinc/00/83/27/651008327.db2.gz ROGJHYCFFXLDOH-UHFFFAOYSA-N 2 0 296.503 2.983 20 30 CFEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])N[C@H](C)CCCC(C)C)C1 ZINC000303885531 651006245 /nfs/dbraw/zinc/00/62/45/651006245.db2.gz NHHRNQRKZQTJIM-CVEARBPZSA-N 2 0 296.503 2.837 20 30 CFEDRP CCCCCCNC(=[NH2+])NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000303894991 651007049 /nfs/dbraw/zinc/00/70/49/651007049.db2.gz PHGWPIQGPHUWSH-GJZGRUSLSA-N 2 0 282.476 2.734 20 30 CFEDRP C#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000883132638 645619331 /nfs/dbraw/zinc/61/93/31/645619331.db2.gz YWPYNEUZCAHDRP-MRXNPFEDSA-N 2 0 256.393 2.630 20 30 CFEDRP C=CCC[C@@H]([NH2+]C1CC[NH+](CCC)CC1)[C@@H]1CCCO1 ZINC000883166781 645635525 /nfs/dbraw/zinc/63/55/25/645635525.db2.gz IRECEJUGRVABCZ-SJORKVTESA-N 2 0 280.456 2.964 20 30 CFEDRP CC[NH+]1CCC(CCNC(=[NH2+])Nc2cccc(C)c2)CC1 ZINC000304759381 651032832 /nfs/dbraw/zinc/03/28/32/651032832.db2.gz RBLOHXSAQYUWMO-UHFFFAOYSA-N 2 0 288.439 2.844 20 30 CFEDRP C=CCC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000883214561 645668561 /nfs/dbraw/zinc/66/85/61/645668561.db2.gz IDAUFQYOYGBPJN-JKSUJKDBSA-N 2 0 280.456 2.822 20 30 CFEDRP C=CCC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@@H]1CCCO1 ZINC000883219024 645671922 /nfs/dbraw/zinc/67/19/22/645671922.db2.gz LHTIGGXSBFJGQT-MSOLQXFVSA-N 2 0 292.467 2.964 20 30 CFEDRP CN(C)C(=[NH+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1)N(C)C ZINC000304764660 651034227 /nfs/dbraw/zinc/03/42/27/651034227.db2.gz YIPLYRPKINIFDL-INIZCTEOSA-N 2 0 294.487 2.510 20 30 CFEDRP N#CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886587896 647055705 /nfs/dbraw/zinc/05/57/05/647055705.db2.gz HZJVKMVNXDRJLD-BZSNNMDCSA-N 2 0 283.419 2.933 20 30 CFEDRP N#Cc1ccc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000886872205 647165085 /nfs/dbraw/zinc/16/50/85/647165085.db2.gz MLENHQJCKLJXBK-KRWDZBQOSA-N 2 0 269.392 2.524 20 30 CFEDRP C=CC[NH+](CC=C)[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)C(C)C ZINC000925537126 648205836 /nfs/dbraw/zinc/20/58/36/648205836.db2.gz JFKBHNALJRAJNX-IKGGRYGDSA-N 2 0 291.483 2.545 20 30 CFEDRP C=CCC[C@H](C1CC1)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925749244 648307186 /nfs/dbraw/zinc/30/71/86/648307186.db2.gz WEIKFJILSFNBJX-CYBMUJFWSA-N 2 0 277.437 2.705 20 30 CFEDRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000925799061 648327378 /nfs/dbraw/zinc/32/73/78/648327378.db2.gz STORTFRQCDFQAQ-MZMPZRCHSA-N 2 0 283.419 2.771 20 30 CFEDRP C=CCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926200805 648432400 /nfs/dbraw/zinc/43/24/00/648432400.db2.gz WUXDXHAVRGWALS-MQVJKMGUSA-N 2 0 266.429 2.574 20 30 CFEDRP C[C@@H](CC(C)(C)C#N)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926337680 648466264 /nfs/dbraw/zinc/46/62/64/648466264.db2.gz RMAFMPHTROUJHT-NFOMZHRRSA-N 2 0 263.429 2.921 20 30 CFEDRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000926602455 648549354 /nfs/dbraw/zinc/54/93/54/648549354.db2.gz LJUJNBKBLRASHK-LUTGFWOYSA-N 2 0 295.430 2.865 20 30 CFEDRP C[N@H+](CC1CCC(C#N)CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000929700630 649101194 /nfs/dbraw/zinc/10/11/94/649101194.db2.gz FRYOTDJYNBJDAZ-UYSNPLJNSA-N 2 0 263.429 2.590 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH+](C)CC2CCC(C#N)CC2)[C@@H](C)C1 ZINC000930000766 649163906 /nfs/dbraw/zinc/16/39/06/649163906.db2.gz RKJNYKVWXQHCEH-OTBWCIGPSA-N 2 0 277.456 2.978 20 30 CFEDRP C[NH+](C)CCCC1CC[NH+](Cc2cncc(C#N)c2)CC1 ZINC000930145477 649193482 /nfs/dbraw/zinc/19/34/82/649193482.db2.gz JGJSEYCETNXGRA-UHFFFAOYSA-N 2 0 286.423 2.507 20 30 CFEDRP C[N@H+](CC1CCC(C#N)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930461107 649253421 /nfs/dbraw/zinc/25/34/21/649253421.db2.gz UGXBISUGKFHGTO-MSJJKYGJSA-N 2 0 275.440 2.873 20 30 CFEDRP C[N@@H+]1CC[C@]2(CC[NH+](CCCCC3(C#N)CCC3)C2)C1 ZINC000930554943 649272348 /nfs/dbraw/zinc/27/23/48/649272348.db2.gz KIDFDBLVKZPOCB-KRWDZBQOSA-N 2 0 275.440 2.878 20 30 CFEDRP C#CCCCCCC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000930626782 649291044 /nfs/dbraw/zinc/29/10/44/649291044.db2.gz OLOZFOARXAXWGR-UHFFFAOYSA-N 2 0 294.483 2.643 20 30 CFEDRP CC1([NH+]2CCC2)CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000931700157 649474898 /nfs/dbraw/zinc/47/48/98/649474898.db2.gz LMDJCPSEBJCOTI-UHFFFAOYSA-N 2 0 275.440 2.877 20 30 CFEDRP CCCC[NH+](CCCC)CCNc1cc[nH+]c(CC#N)c1 ZINC001167734415 775866986 /nfs/dbraw/zinc/86/69/86/775866986.db2.gz GBTLFFSUEFMAED-UHFFFAOYSA-N 2 0 288.439 2.884 20 30 CFEDRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cccc(C#N)n2)CC1 ZINC001232924841 777721165 /nfs/dbraw/zinc/72/11/65/777721165.db2.gz WMOPBHFONLEHKW-UHFFFAOYSA-N 2 0 286.423 2.505 20 30 CFEDRP CCCCCCC/C=C/CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235051875 778367242 /nfs/dbraw/zinc/36/72/42/778367242.db2.gz BDTPJBYEGUMSGY-IJDCCNJMSA-N 2 0 279.472 2.540 20 30 CFEDRP C=CCCCCCCCC[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235052906 778367902 /nfs/dbraw/zinc/36/79/02/778367902.db2.gz RJQOLCCBRMTVIL-KRWDZBQOSA-N 2 0 279.472 2.540 20 30 CFEDRP CCCCCCCC[N@@H+]1CCC[C@@]2(CNCCO2)C1 ZINC001235113603 778385394 /nfs/dbraw/zinc/38/53/94/778385394.db2.gz FFRQSKPFOFHNTG-MRXNPFEDSA-N 2 0 268.445 2.801 20 30 CFEDRP C=CCCCCC[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235403527 778477759 /nfs/dbraw/zinc/47/77/59/778477759.db2.gz KZIFEKSQZNRQOL-CABCVRRESA-N 2 0 254.393 2.756 20 30 CFEDRP C=CC[NH2+]CCN(Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236227185 778745491 /nfs/dbraw/zinc/74/54/91/778745491.db2.gz ABFIQRAQWIFZRS-UHFFFAOYSA-N 2 0 287.451 2.534 20 30 CFEDRP C=CCCCCCCN(CC[NH+](C)C)C1CC[NH2+]CC1 ZINC001236912900 778981810 /nfs/dbraw/zinc/98/18/10/778981810.db2.gz XSEONHUTDMJMRW-UHFFFAOYSA-N 2 0 281.488 2.739 20 30 CFEDRP N#Cc1cccc(CCC[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237379748 779086536 /nfs/dbraw/zinc/08/65/36/779086536.db2.gz CWRYXZJVFGNQFA-QZTJIDSGSA-N 2 0 283.419 2.565 20 30 CFEDRP CCCCCCCCC[N@@H+]1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001236074265 779458185 /nfs/dbraw/zinc/45/81/85/779458185.db2.gz WCLHSEJTSSRJCF-QGZVFWFLSA-N 2 0 281.488 2.844 20 30 CFEDRP C[NH+](C)Cc1cccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c1 ZINC001240351512 780103384 /nfs/dbraw/zinc/10/33/84/780103384.db2.gz SGIDAEOSOKCVAY-UHFFFAOYSA-N 2 0 291.398 2.974 20 30 CFEDRP N#Cc1cc(-c2ccc3c(c2)[C@@H]([NH3+])CC3)cc(C2C[NH2+]C2)c1 ZINC001240361190 780113637 /nfs/dbraw/zinc/11/36/37/780113637.db2.gz LBPIJAVEICZODM-IBGZPJMESA-N 2 0 289.382 2.858 20 30 CFEDRP C=C(C)CNc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001163381779 781456931 /nfs/dbraw/zinc/45/69/31/781456931.db2.gz DDWWSFIAHLOMNA-UHFFFAOYSA-N 2 0 273.424 2.845 20 30 CFEDRP C[NH+](C)CCCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594918229 349505699 /nfs/dbraw/zinc/50/56/99/349505699.db2.gz PRQPYFSBMVYLFY-UHFFFAOYSA-N 2 0 271.408 2.673 20 30 CFEDRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595330025 349603136 /nfs/dbraw/zinc/60/31/36/349603136.db2.gz GXJAWRWHLGCGAZ-SFHVURJKSA-N 2 0 285.435 2.764 20 30 CFEDRP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423280020 529606285 /nfs/dbraw/zinc/60/62/85/529606285.db2.gz UBLCAIYEJWMPLZ-WBVHZDCISA-N 2 0 271.408 2.989 20 30 CFEDRP C[C@@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000595892434 349762687 /nfs/dbraw/zinc/76/26/87/349762687.db2.gz QXSGDACPIUEAMU-YGRLFVJLSA-N 2 0 297.324 2.746 20 30 CFEDRP N#Cc1ccc(CC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000595895474 349764458 /nfs/dbraw/zinc/76/44/58/349764458.db2.gz NTGXUKZDFXCRNQ-RTBURBONSA-N 2 0 297.446 2.812 20 30 CFEDRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(C#N)cc1Cl ZINC000562956084 290085101 /nfs/dbraw/zinc/08/51/01/290085101.db2.gz CTHYMDXYTJTNSD-LLVKDONJSA-N 2 0 277.799 2.862 20 30 CFEDRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc(C#N)cc1 ZINC000596650560 349968582 /nfs/dbraw/zinc/96/85/82/349968582.db2.gz LOOAODSTICUIJO-BEFAXECRSA-N 2 0 293.414 2.649 20 30 CFEDRP C[NH+](C)CCC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000056523827 346611102 /nfs/dbraw/zinc/61/11/02/346611102.db2.gz SEUDBOPDBMXAGF-UHFFFAOYSA-N 2 0 271.408 2.722 20 30 CFEDRP C[C@H](CNC(=[NH2+])Nc1ccccc1)[NH+]1CCC(C)CC1 ZINC000066243790 346751459 /nfs/dbraw/zinc/75/14/59/346751459.db2.gz GSNMZEVXWBMPLC-CQSZACIVSA-N 2 0 274.412 2.534 20 30 CFEDRP C=CCC1([NH2+]C2CC[NH+](C(C)(C)C)CC2)CCOCC1 ZINC000668552295 539572628 /nfs/dbraw/zinc/57/26/28/539572628.db2.gz IPAICLXQXZJQPQ-UHFFFAOYSA-N 2 0 280.456 2.964 20 30 CFEDRP C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)C1CC[NH+](C)CC1 ZINC000399032101 348568540 /nfs/dbraw/zinc/56/85/40/348568540.db2.gz JXAVZMXCYOODFV-CQSZACIVSA-N 2 0 271.408 2.573 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)[C@H]2CCC[C@@H]21 ZINC000586789985 348752665 /nfs/dbraw/zinc/75/26/65/348752665.db2.gz WJMKHVCHIHXQTQ-PVAVHDDUSA-N 2 0 287.382 2.660 20 30 CFEDRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1cccc(C#N)c1 ZINC000591570953 349030069 /nfs/dbraw/zinc/03/00/69/349030069.db2.gz JUSPTGCIDCBMCE-VEAWUBTESA-N 2 0 257.381 2.726 20 30 CFEDRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000592391583 349114263 /nfs/dbraw/zinc/11/42/63/349114263.db2.gz CJSDTQLDTISKLN-WMLDXEAASA-N 2 0 271.408 2.573 20 30 CFEDRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000414185011 233190061 /nfs/dbraw/zinc/19/00/61/233190061.db2.gz OFXHXNAXDSYZSY-GJZGRUSLSA-N 2 0 271.408 2.941 20 30 CFEDRP N#Cc1cccc(C2([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000592470803 349126564 /nfs/dbraw/zinc/12/65/64/349126564.db2.gz IUAPOKSROGFQMT-HLLBOEOZSA-N 2 0 281.403 2.525 20 30 CFEDRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000593324479 349247387 /nfs/dbraw/zinc/24/73/87/349247387.db2.gz WOVDRIPJSGKUKG-CJNGLKHVSA-N 2 0 257.381 2.578 20 30 CFEDRP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)CC1(C)C ZINC000598975104 350352613 /nfs/dbraw/zinc/35/26/13/350352613.db2.gz XTQHQOBFSVAINT-CYBMUJFWSA-N 2 0 251.418 2.779 20 30 CFEDRP Cc1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1C#N ZINC000599330212 350415800 /nfs/dbraw/zinc/41/58/00/350415800.db2.gz VTSGLJCLBSYYFR-OAHLLOKOSA-N 2 0 280.375 2.969 20 30 CFEDRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000602019100 350833033 /nfs/dbraw/zinc/83/30/33/350833033.db2.gz AVEGEOJEFAKZQI-NVXWUHKLSA-N 2 0 283.419 2.913 20 30 CFEDRP N#C[C@@H]1CCC[C@H]([NH2+]CC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000602019515 350833064 /nfs/dbraw/zinc/83/30/64/350833064.db2.gz FUMQIKBTEPXJDZ-IKGGRYGDSA-N 2 0 271.408 2.618 20 30 CFEDRP C[NH+](C)CCCC1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602478348 350899011 /nfs/dbraw/zinc/89/90/11/350899011.db2.gz WXLLSQGBXBXDJX-UHFFFAOYSA-N 2 0 286.423 2.507 20 30 CFEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)CCC#N)[C@@H](C)C1 ZINC000602547387 350919890 /nfs/dbraw/zinc/91/98/90/350919890.db2.gz XXVHHWHMOMVIJY-ULQDDVLXSA-N 2 0 295.471 2.653 20 30 CFEDRP C[C@H](CCC#N)C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000602547557 350920013 /nfs/dbraw/zinc/92/00/13/350920013.db2.gz UPTYPEXNSFFSAN-ZIAGYGMSSA-N 2 0 253.434 2.882 20 30 CFEDRP CC[NH+]1CCC(CC[NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602558313 350923832 /nfs/dbraw/zinc/92/38/32/350923832.db2.gz OKHDJUTYZUBHAE-AWEZNQCLSA-N 2 0 251.418 2.638 20 30 CFEDRP CCC[NH+]1CCC([NH2+][C@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602588317 350937382 /nfs/dbraw/zinc/93/73/82/350937382.db2.gz VISLMOISTHDIOU-OAHLLOKOSA-N 2 0 293.455 2.549 20 30 CFEDRP C[C@H](CCC#N)C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000602715808 350996819 /nfs/dbraw/zinc/99/68/19/350996819.db2.gz CSLMWFSGGJJIKB-CQSZACIVSA-N 2 0 263.429 2.638 20 30 CFEDRP C[C@@H](CCC#N)C[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC000602722198 351000226 /nfs/dbraw/zinc/00/02/26/351000226.db2.gz YRFZRHSLJJSIAY-GOEBONIOSA-N 2 0 263.429 2.923 20 30 CFEDRP N#CC1CCC([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000602637917 350956571 /nfs/dbraw/zinc/95/65/71/350956571.db2.gz JULJJYOSXZCINK-UHFFFAOYSA-N 2 0 261.413 2.675 20 30 CFEDRP N#Cc1cccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000602846017 351044258 /nfs/dbraw/zinc/04/42/58/351044258.db2.gz ONZNVDGWBBODNI-UHFFFAOYSA-N 2 0 292.386 2.666 20 30 CFEDRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611392895 351680278 /nfs/dbraw/zinc/68/02/78/351680278.db2.gz UCLQVXWFEKZAHE-YJBOKZPZSA-N 2 0 283.419 2.867 20 30 CFEDRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391175 351680517 /nfs/dbraw/zinc/68/05/17/351680517.db2.gz YOBVIBWIYGUGNM-YJBOKZPZSA-N 2 0 283.419 2.867 20 30 CFEDRP C[C@@H]1CCN(CC[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611393406 351681205 /nfs/dbraw/zinc/68/12/05/351681205.db2.gz FJZGIZTYUJMMLT-KDOFPFPSSA-N 2 0 283.419 2.867 20 30 CFEDRP C=CC[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@@H](CC=C)C2)C1 ZINC000625703892 354091528 /nfs/dbraw/zinc/09/15/28/354091528.db2.gz LRYPSXYVXNFEEH-QZTJIDSGSA-N 2 0 292.467 2.799 20 30 CFEDRP C=CCC1([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCOCC1 ZINC000628338371 354551323 /nfs/dbraw/zinc/55/13/23/354551323.db2.gz IOZJXZXAJPYNTK-AWEZNQCLSA-N 2 0 266.429 2.574 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CC2 ZINC000423470373 283198375 /nfs/dbraw/zinc/19/83/75/283198375.db2.gz DHJAULCTKRZFJF-NVXWUHKLSA-N 2 0 269.392 2.667 20 30 CFEDRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000037649289 372683337 /nfs/dbraw/zinc/68/33/37/372683337.db2.gz FLLYNFUTGRDYAO-ZFWWWQNUSA-N 2 0 269.392 2.693 20 30 CFEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CC(C)(C)CCC#N)[C@H](C)C1 ZINC000093639849 375276925 /nfs/dbraw/zinc/27/69/25/375276925.db2.gz SPQGKZHZQYRXSD-HUUCEWRRSA-N 2 0 265.445 2.978 20 30 CFEDRP C[C@@H]1CC[N@H+](CCC(C)(C)C#N)C[C@@H]1n1ccnc1 ZINC000119977633 376518396 /nfs/dbraw/zinc/51/83/96/376518396.db2.gz ANEKKFNZXHKBGL-KGLIPLIRSA-N 2 0 260.385 2.706 20 30 CFEDRP C=C(C)C[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000679360970 542179726 /nfs/dbraw/zinc/17/97/26/542179726.db2.gz RBCIRKPWXYJLDK-UHFFFAOYSA-N 2 0 262.397 2.635 20 30 CFEDRP Fc1ccc(C#CCN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000151217531 378307534 /nfs/dbraw/zinc/30/75/34/378307534.db2.gz VYHFTZNUQLJUGE-KRWDZBQOSA-N 2 0 286.394 2.595 20 30 CFEDRP CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(C#N)cc1 ZINC000278698969 194109621 /nfs/dbraw/zinc/10/96/21/194109621.db2.gz KUSLIHWIGYWUSC-KRWDZBQOSA-N 2 0 269.392 2.861 20 30 CFEDRP N#CC1CCC(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000334384819 379202117 /nfs/dbraw/zinc/20/21/17/379202117.db2.gz MGBJFBDYWYEQOO-SSHXOBKSSA-N 2 0 261.413 2.533 20 30 CFEDRP C[C@H]1CC2(C[N@@H+]1Cc1cccc(C#N)c1)CC[NH2+]CC2 ZINC000335538810 379477238 /nfs/dbraw/zinc/47/72/38/379477238.db2.gz LSKDCBUSECOJCL-AWEZNQCLSA-N 2 0 269.392 2.522 20 30 CFEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000404596555 380906426 /nfs/dbraw/zinc/90/64/26/380906426.db2.gz YCFWZXGDVGRBMX-BHYGNILZSA-N 2 0 287.382 2.708 20 30 CFEDRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(C#N)cc1F ZINC000358593593 380955499 /nfs/dbraw/zinc/95/54/99/380955499.db2.gz RRABVTNWZICPLL-GFCCVEGCSA-N 2 0 263.360 2.690 20 30 CFEDRP C#CCOc1ccc(C[N@H+](C)CCCn2ccnc2C)cc1 ZINC000290397736 381412904 /nfs/dbraw/zinc/41/29/04/381412904.db2.gz JFPAXCKQOULEGK-UHFFFAOYSA-N 2 0 297.402 2.726 20 30 CFEDRP C#CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000296452736 381401678 /nfs/dbraw/zinc/40/16/78/381401678.db2.gz MUNDBOUFCVXJRA-RVKKMQEKSA-N 2 0 286.419 2.517 20 30 CFEDRP C=CCOCCC[N@@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000348113829 381464012 /nfs/dbraw/zinc/46/40/12/381464012.db2.gz GVZSWGNNMRYTBV-OAHLLOKOSA-N 2 0 289.423 2.601 20 30 CFEDRP C=CCCCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000376057385 382118689 /nfs/dbraw/zinc/11/86/89/382118689.db2.gz YWMRYKBTEQACAI-ZWKOTPCHSA-N 2 0 293.499 2.691 20 30 CFEDRP C=CC[C@@H](CO)[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000680484507 542330594 /nfs/dbraw/zinc/33/05/94/542330594.db2.gz LHWYHGODPLSTNU-KRWDZBQOSA-N 2 0 290.451 2.671 20 30 CFEDRP C=CCC[C@@H](CO)[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000320647569 382538340 /nfs/dbraw/zinc/53/83/40/382538340.db2.gz OKBHIXBFVHBBJX-MSOLQXFVSA-N 2 0 288.435 2.568 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000353411519 382544831 /nfs/dbraw/zinc/54/48/31/382544831.db2.gz KJRCSCXGAYWLOD-JFIYKMOQSA-N 2 0 281.403 2.762 20 30 CFEDRP C#CCN(C)CCC[NH2+][C@H](C)c1sc(CC)nc1C ZINC000295060299 382571473 /nfs/dbraw/zinc/57/14/73/382571473.db2.gz RDPAYSBQWKBNES-GFCCVEGCSA-N 2 0 279.453 2.620 20 30 CFEDRP CC#CC[NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000189950263 382646728 /nfs/dbraw/zinc/64/67/28/382646728.db2.gz WYSANOGXDNKWRX-BYICEURKSA-N 2 0 270.420 2.756 20 30 CFEDRP C#CCOc1ccccc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227328196 382835580 /nfs/dbraw/zinc/83/55/80/382835580.db2.gz FBDUYZUXUHXCRM-UHFFFAOYSA-N 2 0 286.419 2.520 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)CC2 ZINC000579354522 383007081 /nfs/dbraw/zinc/00/70/81/383007081.db2.gz BPTNIRYEYNBENH-GOSISDBHSA-N 2 0 277.371 2.794 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(C#N)cc1F ZINC000423383678 383076394 /nfs/dbraw/zinc/07/63/94/383076394.db2.gz KNZAWZPDGYDINH-WCFLWFBJSA-N 2 0 261.344 2.618 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(C#N)c(F)c1 ZINC000423407349 383086724 /nfs/dbraw/zinc/08/67/24/383086724.db2.gz ZYQSOEHVYYLPPK-LEWSCRJBSA-N 2 0 261.344 2.618 20 30 CFEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000246645200 383089472 /nfs/dbraw/zinc/08/94/72/383089472.db2.gz CLXNPUIQPNRIMY-MSOLQXFVSA-N 2 0 294.483 2.757 20 30 CFEDRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423445236 383099053 /nfs/dbraw/zinc/09/90/53/383099053.db2.gz XRNRMOFAKOHZKA-NEPJUHHUSA-N 2 0 263.360 2.865 20 30 CFEDRP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449108577 383179598 /nfs/dbraw/zinc/17/95/98/383179598.db2.gz URPDMHNLKPHFIT-FHERZECASA-N 2 0 263.429 2.780 20 30 CFEDRP C[N@@H+]1CCC[C@H]2C[NH+](CC(C)(C)CCC#N)CC[C@H]21 ZINC000247271180 383158444 /nfs/dbraw/zinc/15/84/44/383158444.db2.gz YBOOYAPTXKSVGM-LSDHHAIUSA-N 2 0 263.429 2.732 20 30 CFEDRP CC1(C#N)CCC([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000449076367 383163255 /nfs/dbraw/zinc/16/32/55/383163255.db2.gz PDARUVAMBQZJJT-VQCLRJIVSA-N 2 0 261.413 2.533 20 30 CFEDRP N#C[C@@H]1CC[C@H]([NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000339139151 383163442 /nfs/dbraw/zinc/16/34/42/383163442.db2.gz BFKNTSOSUKNJQD-XWSJACJDSA-N 2 0 295.430 2.742 20 30 CFEDRP C=CC[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000248531795 383254647 /nfs/dbraw/zinc/25/46/47/383254647.db2.gz YDYCUYDWYOIPJF-UAGQMJEPSA-N 2 0 280.456 2.556 20 30 CFEDRP C=CC[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471842828 383379512 /nfs/dbraw/zinc/37/95/12/383379512.db2.gz DKUUOEKKUWWCFN-IAGOWNOFSA-N 2 0 258.409 2.845 20 30 CFEDRP C=CCCC[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000253296061 383450230 /nfs/dbraw/zinc/45/02/30/383450230.db2.gz NXNUEWFXAVSCQS-HOTGVXAUSA-N 2 0 268.445 2.679 20 30 CFEDRP C=CC[C@H](C)[C@H](C)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635007118 383462875 /nfs/dbraw/zinc/46/28/75/383462875.db2.gz FBJOBUMUOHFCJN-KBPBESRZSA-N 2 0 274.412 2.504 20 30 CFEDRP C=CCCC[N@@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435721037 383779558 /nfs/dbraw/zinc/77/95/58/383779558.db2.gz ATBFQVPKGRMORM-CQSZACIVSA-N 2 0 279.453 2.829 20 30 CFEDRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(C#N)c(F)c1 ZINC000271925616 385402996 /nfs/dbraw/zinc/40/29/96/385402996.db2.gz GKXPELVYLLNGRS-GFCCVEGCSA-N 2 0 263.360 2.690 20 30 CFEDRP C[C@@H]([NH2+]CCCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272496952 385553009 /nfs/dbraw/zinc/55/30/09/385553009.db2.gz NLSWJUAGVLBELC-NVXWUHKLSA-N 2 0 271.408 2.790 20 30 CFEDRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000423255788 533402406 /nfs/dbraw/zinc/40/24/06/533402406.db2.gz CTJZCHSPGQURDE-CHWSQXEVSA-N 2 0 275.371 2.738 20 30 CFEDRP C=CCOCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000339050689 393813542 /nfs/dbraw/zinc/81/35/42/393813542.db2.gz IZXMWOITQWREMP-UHFFFAOYSA-N 2 0 280.456 2.777 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C#N)cc1 ZINC000127864937 394058652 /nfs/dbraw/zinc/05/86/52/394058652.db2.gz MIXXAZJEXKAFNX-IAOVAPTHSA-N 2 0 269.392 2.836 20 30 CFEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371179961 394298637 /nfs/dbraw/zinc/29/86/37/394298637.db2.gz ZQBPJWWLXZZETE-SJORKVTESA-N 2 0 280.456 2.511 20 30 CFEDRP C=CCOc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)c1 ZINC000647498245 395362893 /nfs/dbraw/zinc/36/28/93/395362893.db2.gz DBINTGLOYGDFRX-RDJZCZTQSA-N 2 0 274.408 2.811 20 30 CFEDRP CC[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423348684 286911190 /nfs/dbraw/zinc/91/11/90/286911190.db2.gz UJKUKWSOERQCIK-SJORKVTESA-N 2 0 271.408 2.989 20 30 CFEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(CC)CC2)C1 ZINC000651676920 413561741 /nfs/dbraw/zinc/56/17/41/413561741.db2.gz RRMUGVZIUYPOGY-QZTJIDSGSA-N 2 0 293.499 2.739 20 30 CFEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000657898977 414040841 /nfs/dbraw/zinc/04/08/41/414040841.db2.gz SFRHTWPKXCKVSF-FUHWJXTLSA-N 2 0 293.499 2.737 20 30 CFEDRP C=CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC000661760486 414197471 /nfs/dbraw/zinc/19/74/71/414197471.db2.gz VSUQHUONDZJKAE-UHFFFAOYSA-N 2 0 281.488 2.689 20 30 CFEDRP C=CCOc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000044516052 175189963 /nfs/dbraw/zinc/18/99/63/175189963.db2.gz CBIKZKNNNRDSLE-UHFFFAOYSA-N 2 0 274.408 2.683 20 30 CFEDRP C[NH+](C)CC1CCC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000361420036 261252473 /nfs/dbraw/zinc/25/24/73/261252473.db2.gz KGLFSPBSMDBSOE-BHDPWAOGSA-N 2 0 263.429 2.779 20 30 CFEDRP C=CCCC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000117877743 262359457 /nfs/dbraw/zinc/35/94/57/262359457.db2.gz JCGQIZLOMOGPKI-HZPDHXFCSA-N 2 0 280.456 2.774 20 30 CFEDRP Cc1ccc(NC(=[NH2+])NCC2(C)CC[NH+](C)CC2)cc1C ZINC000272431555 263004270 /nfs/dbraw/zinc/00/42/70/263004270.db2.gz SECGPTUMRFZGFI-UHFFFAOYSA-N 2 0 288.439 2.762 20 30 CFEDRP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H]3CC[C@H](C#N)C3)C2)n1 ZINC000278560602 263048854 /nfs/dbraw/zinc/04/88/54/263048854.db2.gz IJCFGRKPZPCTKF-JYJNAYRXSA-N 2 0 284.407 2.816 20 30 CFEDRP C=CCOc1ccc(C[NH2+]C[C@@H](C)C[NH3+])cc1Cl ZINC000414887160 263100172 /nfs/dbraw/zinc/10/01/72/263100172.db2.gz YXNKZQDQZKJCOG-NSHDSACASA-N 2 0 268.788 2.589 20 30 CFEDRP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000297499625 263205555 /nfs/dbraw/zinc/20/55/55/263205555.db2.gz LHARLDNJPHILCC-TZMCWYRMSA-N 2 0 254.337 2.506 20 30 CFEDRP C=CCOc1ccccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415102518 263273697 /nfs/dbraw/zinc/27/36/97/263273697.db2.gz CKGMRAAHJITPGC-GDBMZVCRSA-N 2 0 274.408 2.668 20 30 CFEDRP C=CCCC[C@@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000341127227 263323349 /nfs/dbraw/zinc/32/33/49/263323349.db2.gz NRYHAZRRPLWOCJ-MRXNPFEDSA-N 2 0 281.488 2.689 20 30 CFEDRP C=CCN1CCC([NH2+][C@@H](C)c2cc(C)ccn2)CC1 ZINC000353504135 266039219 /nfs/dbraw/zinc/03/92/19/266039219.db2.gz QDTFOAUNVWOMQT-AWEZNQCLSA-N 2 0 259.397 2.691 20 30 CFEDRP CC[C@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(C#N)cc1 ZINC000530217659 267223639 /nfs/dbraw/zinc/22/36/39/267223639.db2.gz UXVNUXDGCGRRBT-HOTGVXAUSA-N 2 0 269.392 2.884 20 30 CFEDRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423276386 277282550 /nfs/dbraw/zinc/28/25/50/277282550.db2.gz OIJXEGUWAAFVHA-SUMWQHHRSA-N 2 0 271.408 2.771 20 30 CFEDRP C[NH+](C)C[C@@H]1CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411267147 328081373 /nfs/dbraw/zinc/08/13/73/328081373.db2.gz KZKPUZIMGJIWRO-HNNXBMFYSA-N 2 0 263.429 2.734 20 30 CFEDRP C=CCCCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000571392564 328118142 /nfs/dbraw/zinc/11/81/42/328118142.db2.gz USYWUWYSQSHMDG-HDICACEKSA-N 2 0 293.499 2.833 20 30 CFEDRP C[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)C[NH+]1CCCCC1 ZINC000185788445 329331693 /nfs/dbraw/zinc/33/16/93/329331693.db2.gz UHEBXRXEWBCSMS-OWCLPIDISA-N 2 0 263.429 2.780 20 30 CFEDRP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1ccc(C#N)cc1 ZINC000582705522 325226771 /nfs/dbraw/zinc/22/67/71/325226771.db2.gz MZYLZKIGFWEYKQ-WBVHZDCISA-N 2 0 271.408 2.941 20 30 CFEDRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(C)(C)C#N)C1 ZINC000119695474 327247716 /nfs/dbraw/zinc/24/77/16/327247716.db2.gz OSPCLZANZHJGSV-AWEZNQCLSA-N 2 0 251.418 2.590 20 30 CFEDRP C=CC[N@@H+](Cc1cccs1)CC1CC[NH2+]CC1 ZINC000178955985 329203330 /nfs/dbraw/zinc/20/33/30/329203330.db2.gz YCVQLOAXDQOZLZ-UHFFFAOYSA-N 2 0 250.411 2.736 20 30 CFEDRP N#CCCCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182965974 329246059 /nfs/dbraw/zinc/24/60/59/329246059.db2.gz NKZLUGISYLLPSA-UHFFFAOYSA-N 2 0 293.455 2.505 20 30 CFEDRP C=C(C)CN1CCC([NH2+][C@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000183801461 329252560 /nfs/dbraw/zinc/25/25/60/329252560.db2.gz NDRJMPVCEVBPKC-CQSZACIVSA-N 2 0 296.455 2.737 20 30 CFEDRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185759841 329331318 /nfs/dbraw/zinc/33/13/18/329331318.db2.gz PPNBTWFAUSMTMS-HRCADAONSA-N 2 0 263.429 2.923 20 30 CFEDRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185772666 329331519 /nfs/dbraw/zinc/33/15/19/329331519.db2.gz OZZXJLZDGQTGOU-ZBFHGGJFSA-N 2 0 263.429 2.779 20 30 CFEDRP C=CCN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422857011 330157895 /nfs/dbraw/zinc/15/78/95/330157895.db2.gz GJMCUBTUVGYETO-KZNAEPCWSA-N 2 0 291.483 2.537 20 30 CFEDRP C=CC[C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422983936 330162686 /nfs/dbraw/zinc/16/26/86/330162686.db2.gz VXXWLTUHSBMVJL-JLJPHGGASA-N 2 0 272.392 2.797 20 30 CFEDRP C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423191926 330175998 /nfs/dbraw/zinc/17/59/98/330175998.db2.gz UECAPMBLPXOMHK-XIRDDKMYSA-N 2 0 258.409 2.904 20 30 CFEDRP CC[NH2+][C@H](C)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423388657 330200048 /nfs/dbraw/zinc/20/00/48/330200048.db2.gz UMHAPQPSUNGMLD-FAEJEUNOSA-N 2 0 285.435 2.978 20 30 CFEDRP C=CCC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)C1CC1 ZINC000120986881 330394193 /nfs/dbraw/zinc/39/41/93/330394193.db2.gz WCIXEMQDVSMQSJ-SJLPKXTDSA-N 2 0 293.499 2.594 20 30 CFEDRP C=CCC[C@@H](O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121852741 330406989 /nfs/dbraw/zinc/40/69/89/330406989.db2.gz ZKGIBDOQDJWQKK-GOSISDBHSA-N 2 0 294.483 2.902 20 30 CFEDRP C[NH+](C)CCC1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000092381392 330409064 /nfs/dbraw/zinc/40/90/64/330409064.db2.gz NJGKYFZGUFJMRD-UHFFFAOYSA-N 2 0 265.445 2.980 20 30 CFEDRP C[N@H+](CCCC[NH2+]C1CCC(C)(C#N)CC1)C1CC1 ZINC000453420111 331130512 /nfs/dbraw/zinc/13/05/12/331130512.db2.gz ZDLXLXURGBMMPK-UHFFFAOYSA-N 2 0 263.429 2.923 20 30 CFEDRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC(C)(C)CC#N ZINC000459730102 331296434 /nfs/dbraw/zinc/29/64/34/331296434.db2.gz LKCCBFWQZRSGRK-UHFFFAOYSA-N 2 0 283.379 2.605 20 30 CFEDRP CC(C)(CC#N)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459737740 331297063 /nfs/dbraw/zinc/29/70/63/331297063.db2.gz WFJKJXJBPJBFAK-UHFFFAOYSA-N 2 0 272.396 2.580 20 30 CFEDRP C[C@@H](C[NH2+]Cc1cccc(OCCCC#N)c1)C[NH+](C)C ZINC000491590467 332241822 /nfs/dbraw/zinc/24/18/22/332241822.db2.gz AGXWBQLVSCMNPO-HNNXBMFYSA-N 2 0 289.423 2.656 20 30 CFEDRP C=CCCCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000517216485 333094904 /nfs/dbraw/zinc/09/49/04/333094904.db2.gz QXSJTPAKQMFKNP-UHFFFAOYSA-N 2 0 280.456 2.777 20 30 CFEDRP C=CCC[C@H](CCC)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186588200 333163275 /nfs/dbraw/zinc/16/32/75/333163275.db2.gz GGXSBXJVTWSBHF-SJORKVTESA-N 2 0 281.488 2.737 20 30 CFEDRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(C#N)cc1F ZINC000423472345 533883260 /nfs/dbraw/zinc/88/32/60/533883260.db2.gz NENIGPYUWCEMFG-IACUBPJLSA-N 2 0 275.371 2.865 20 30 CFEDRP C[NH+]1CCC(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000891595915 617680982 /nfs/dbraw/zinc/68/09/82/617680982.db2.gz GGDRKQDCABOYKV-UHFFFAOYSA-N 2 0 283.419 2.864 20 30 CFEDRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000924862549 618329192 /nfs/dbraw/zinc/32/91/92/618329192.db2.gz RXVBJOYZZOVCDU-KGLIPLIRSA-N 2 0 251.418 2.636 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000178412705 618994845 /nfs/dbraw/zinc/99/48/45/618994845.db2.gz LOYVLLJEJUREGR-INIZCTEOSA-N 2 0 286.419 2.835 20 30 CFEDRP CCc1ccc(NC(=[NH2+])NC[C@H](CC)[NH+]2CCCC2)cc1 ZINC000104166857 619015620 /nfs/dbraw/zinc/01/56/20/619015620.db2.gz WGKMXTBQMWAGKK-INIZCTEOSA-N 2 0 288.439 2.850 20 30 CFEDRP C(#Cc1ccccc1)C[NH2+]CCCCC[NH+]1CCCC1 ZINC000894626509 619431979 /nfs/dbraw/zinc/43/19/79/619431979.db2.gz VHTVDGXUJIZYQK-UHFFFAOYSA-N 2 0 270.420 2.894 20 30 CFEDRP C[C@@H]1C[N@H+](CC(C)(C)CCC#N)CCN1c1cc[nH+]cc1 ZINC000895557446 619554859 /nfs/dbraw/zinc/55/48/59/619554859.db2.gz QQAVHKYIIXBGFA-OAHLLOKOSA-N 2 0 286.423 2.922 20 30 CFEDRP CCCCCCCC[C@H](CO)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000902453969 621093216 /nfs/dbraw/zinc/09/32/16/621093216.db2.gz GOAGPKVFZVLQMN-ARFHVFGLSA-N 2 0 270.461 2.957 20 30 CFEDRP C=CCC[C@H]([NH2+]CCn1ccnc1)[C@]1(C)CCCCO1 ZINC000902724972 621158120 /nfs/dbraw/zinc/15/81/20/621158120.db2.gz NBDVRTYVKKYNEX-HOTGVXAUSA-N 2 0 277.412 2.767 20 30 CFEDRP C=CCC[C@H]([NH2+]CCn1ccnc1)[C@@]1(C)CCCCO1 ZINC000902724974 621158411 /nfs/dbraw/zinc/15/84/11/621158411.db2.gz NBDVRTYVKKYNEX-JKSUJKDBSA-N 2 0 277.412 2.767 20 30 CFEDRP N#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903072145 621250305 /nfs/dbraw/zinc/25/03/05/621250305.db2.gz HJUGXBQBEDGQAS-ZNXRZULTSA-N 2 0 281.403 2.806 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000903424697 621379979 /nfs/dbraw/zinc/37/99/79/621379979.db2.gz BYJQPBUFLBIQCJ-KRWDZBQOSA-N 2 0 273.424 2.980 20 30 CFEDRP N#CC1CCC(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000903453840 621387505 /nfs/dbraw/zinc/38/75/05/621387505.db2.gz NLNWWTGRBIVMEZ-GQGLESIBSA-N 2 0 275.440 2.638 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000903452699 621387548 /nfs/dbraw/zinc/38/75/48/621387548.db2.gz QWYCIBOOZZKVGJ-SFHVURJKSA-N 2 0 283.419 2.751 20 30 CFEDRP Cc1cc(C#N)cc(C)c1CN[C@H](C[NH3+])C(C)(C)C ZINC000903454815 621387862 /nfs/dbraw/zinc/38/78/62/621387862.db2.gz KBBGGWHSTNGBBN-OAHLLOKOSA-N 2 0 259.397 2.638 20 30 CFEDRP C[NH2+]C[C@H]1CCC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000903712964 621430824 /nfs/dbraw/zinc/43/08/24/621430824.db2.gz CODIVSNKDDQDDZ-OAHLLOKOSA-N 2 0 263.429 2.782 20 30 CFEDRP N#CC1(CCCCN2C[C@@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC000903770277 621438200 /nfs/dbraw/zinc/43/82/00/621438200.db2.gz WHXUXVUJDGQNLW-GOEBONIOSA-N 2 0 261.413 2.664 20 30 CFEDRP C=CC[C@@H](C)[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793914 621439562 /nfs/dbraw/zinc/43/95/62/621439562.db2.gz XQFPFCZJROWHEA-OAHLLOKOSA-N 2 0 258.409 2.944 20 30 CFEDRP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cc(C#N)cs1 ZINC000903827187 621450899 /nfs/dbraw/zinc/45/08/99/621450899.db2.gz PZPXNDGJYVSHLX-LQDVMPOASA-N 2 0 289.448 2.972 20 30 CFEDRP CCCCCCCC[C@H]([NH3+])C(=O)N(C)C1CCC([NH3+])CC1 ZINC000911866062 622561244 /nfs/dbraw/zinc/56/12/44/622561244.db2.gz ZMFUYDZWKANFRE-GPANFISMSA-N 2 0 297.487 2.793 20 30 CFEDRP CCC[N@@H+]1CC[C@@H](CNC(NC(C)(C)C)=[NH+]CC(C)C)C1 ZINC000912506793 622733741 /nfs/dbraw/zinc/73/37/41/622733741.db2.gz CBOCEHRJVPMXQV-HNNXBMFYSA-N 2 0 296.503 2.708 20 30 CFEDRP C=C(C)COCC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820823189 622766336 /nfs/dbraw/zinc/76/63/36/622766336.db2.gz MIBLRPDEYCJNPD-HNNXBMFYSA-N 2 0 276.424 2.992 20 30 CFEDRP C#CCN(C)CCC[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000820846315 622773196 /nfs/dbraw/zinc/77/31/96/622773196.db2.gz DCBKPAAGNMWUPN-AWEZNQCLSA-N 2 0 278.827 2.988 20 30 CFEDRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)cc(C#N)cc2C)C1 ZINC000921546366 625981776 /nfs/dbraw/zinc/98/17/76/625981776.db2.gz ICZVKSKMTOOXCB-HNNXBMFYSA-N 2 0 271.408 2.607 20 30 CFEDRP C[NH+](C)C1(C)CCC([NH2+]Cc2csc(C#N)c2)CC1 ZINC000922318408 626268636 /nfs/dbraw/zinc/26/86/36/626268636.db2.gz STXSCMOVKYTGAD-UHFFFAOYSA-N 2 0 277.437 2.972 20 30 CFEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000923424632 626471892 /nfs/dbraw/zinc/47/18/92/626471892.db2.gz HKLFKEJEZYPWKK-SZMVWBNQSA-N 2 0 294.483 2.933 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923491923 626476811 /nfs/dbraw/zinc/47/68/11/626476811.db2.gz KQTPQGLGTGNSQC-GDBMZVCRSA-N 2 0 271.408 2.592 20 30 CFEDRP C#CCOCC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000851812154 634544207 /nfs/dbraw/zinc/54/42/07/634544207.db2.gz GNMDBKZPPWMTNZ-KRWDZBQOSA-N 2 0 292.467 2.613 20 30 CFEDRP C#CCSCC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000773010578 627768168 /nfs/dbraw/zinc/76/81/68/627768168.db2.gz NSEYFTPVUUFFON-RDJZCZTQSA-N 2 0 294.508 2.986 20 30 CFEDRP C=CCCCCC[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000793522450 629561245 /nfs/dbraw/zinc/56/12/45/629561245.db2.gz ADJXUOHNJDDSAN-IAGOWNOFSA-N 2 0 281.488 2.737 20 30 CFEDRP C[C@H](C#N)OCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000801934160 630491113 /nfs/dbraw/zinc/49/11/13/630491113.db2.gz IQPMMETYPBZSJA-MRXNPFEDSA-N 2 0 293.455 2.503 20 30 CFEDRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(OCC#N)cc1 ZINC000843344312 631933172 /nfs/dbraw/zinc/93/31/72/631933172.db2.gz VDPADGBTKDNGQS-AWEZNQCLSA-N 2 0 295.386 2.898 20 30 CFEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000817919691 632734964 /nfs/dbraw/zinc/73/49/64/632734964.db2.gz UDNGCGNBDSTVOU-UMVBOHGHSA-N 2 0 275.396 2.583 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000817946868 632749096 /nfs/dbraw/zinc/74/90/96/632749096.db2.gz GRHSNBRTXXXZTC-ZOBUZTSGSA-N 2 0 286.419 2.737 20 30 CFEDRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(OCC#N)cc1 ZINC000817966937 632766097 /nfs/dbraw/zinc/76/60/97/632766097.db2.gz ZQESTINYTSTBPZ-YOEHRIQHSA-N 2 0 287.407 2.629 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000817970146 632768269 /nfs/dbraw/zinc/76/82/69/632768269.db2.gz MQHDHYGLKVQDTL-IMJJTQAJSA-N 2 0 272.392 2.619 20 30 CFEDRP C#C[C@@H]1CCC[NH+](CCCCC[N@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847020386 632884867 /nfs/dbraw/zinc/88/48/67/632884867.db2.gz BEOBOPGWXKXIID-RTBURBONSA-N 2 0 286.463 2.847 20 30 CFEDRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1cccc(C#N)c1[O-] ZINC000866381778 638810093 /nfs/dbraw/zinc/81/00/93/638810093.db2.gz OIIZLAXJQODKDZ-CQSZACIVSA-N 2 0 289.423 2.892 20 30 CFEDRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000866707167 638868874 /nfs/dbraw/zinc/86/88/74/638868874.db2.gz MNVNZQUWAMPYCX-KRWDZBQOSA-N 2 0 271.408 2.755 20 30 CFEDRP C=CCOc1cccc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)c1 ZINC000873223941 642077611 /nfs/dbraw/zinc/07/76/11/642077611.db2.gz VMJQUKDFDRATHD-AWEZNQCLSA-N 2 0 274.408 2.729 20 30 CFEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873248691 642095531 /nfs/dbraw/zinc/09/55/31/642095531.db2.gz DPICRLZOXBQNSZ-UKPHBRMFSA-N 2 0 269.392 2.653 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000873259953 642104123 /nfs/dbraw/zinc/10/41/23/642104123.db2.gz PCZZLPXKQHQGLE-ONIAQPFYSA-N 2 0 298.430 2.880 20 30 CFEDRP C=CC(C)(C)CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000873278896 642116111 /nfs/dbraw/zinc/11/61/11/642116111.db2.gz ABOINFXCJORUIY-RBSFLKMASA-N 2 0 250.430 2.957 20 30 CFEDRP C#CCCCCCC[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000877477686 643294696 /nfs/dbraw/zinc/29/46/96/643294696.db2.gz HKDZQKYQCUNTSV-KRWDZBQOSA-N 2 0 280.456 2.661 20 30 CFEDRP C#CCCCCCC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000877523076 643327261 /nfs/dbraw/zinc/32/72/61/643327261.db2.gz WEBFBPHVVHCXNO-UHFFFAOYSA-N 2 0 293.499 2.528 20 30 CFEDRP C#CCCCCCC[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000877584830 643380190 /nfs/dbraw/zinc/38/01/90/643380190.db2.gz JHUSOCUMPIXKEO-MRXNPFEDSA-N 2 0 250.430 2.892 20 30 CFEDRP C[NH+](C)C1(C)CCC([NH2+]C2CCC(C#N)CC2)CC1 ZINC000877711763 643478885 /nfs/dbraw/zinc/47/88/85/643478885.db2.gz YGIBKWBLZOJLSP-UHFFFAOYSA-N 2 0 263.429 2.921 20 30 CFEDRP C[NH+]1CCC(C[NH2+][C@H]2CC[C@@H](C#N)C2)(c2ccccc2)CC1 ZINC000877718655 643482187 /nfs/dbraw/zinc/48/21/87/643482187.db2.gz OGLSIQGZMVXJKY-AEFFLSMTSA-N 2 0 297.446 2.932 20 30 CFEDRP C=CC[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000878156267 643764946 /nfs/dbraw/zinc/76/49/46/643764946.db2.gz YDANGBYHUWTHLM-OAHLLOKOSA-N 2 0 266.429 2.528 20 30 CFEDRP C#CCCCCC[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000878162610 643769155 /nfs/dbraw/zinc/76/91/55/643769155.db2.gz HRRNIFHYMNWYJY-HOTGVXAUSA-N 2 0 250.430 2.985 20 30 CFEDRP CC(C)C[N@H+](CCCC#N)CC1CC[NH+](C)CC1 ZINC000879702726 644379756 /nfs/dbraw/zinc/37/97/56/644379756.db2.gz WPOBYROBNPCKRM-UHFFFAOYSA-N 2 0 251.418 2.590 20 30 CFEDRP Cc1cccc(NC(=[NH2+])NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000303869463 651005058 /nfs/dbraw/zinc/00/50/58/651005058.db2.gz AXPNMQDRHVAESF-AWEZNQCLSA-N 2 0 274.412 2.596 20 30 CFEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NCCC1CC[NH+](C)CC1 ZINC000303890044 651006258 /nfs/dbraw/zinc/00/62/58/651006258.db2.gz PVIYIPKNMGTJON-OAHLLOKOSA-N 2 0 296.503 2.837 20 30 CFEDRP CC(C)c1cccc(NC(=[NH2+])NC[C@H](C2CC2)[NH+](C)C)c1 ZINC000303889098 651006573 /nfs/dbraw/zinc/00/65/73/651006573.db2.gz PGNPHPOYJBETTJ-MRXNPFEDSA-N 2 0 288.439 2.877 20 30 CFEDRP C[NH+](C)CCCCCCCNC(=[NH2+])NC1CCCCC1 ZINC000303894260 651007403 /nfs/dbraw/zinc/00/74/03/651007403.db2.gz SJWKXUIACGUPTB-UHFFFAOYSA-N 2 0 282.476 2.736 20 30 CFEDRP Cc1ccc(NC(=[NH2+])NCC[NH+]2CCCCCC2)cc1C ZINC000303894013 651007425 /nfs/dbraw/zinc/00/74/25/651007425.db2.gz ONGLWMKWBIJGNV-UHFFFAOYSA-N 2 0 288.439 2.906 20 30 CFEDRP CCc1cccc(CC)c1NC(=[NH2+])NCC[N@H+](C)C(C)C ZINC000303971728 651010340 /nfs/dbraw/zinc/01/03/40/651010340.db2.gz DXHIEIHUVPYBEL-UHFFFAOYSA-N 2 0 290.455 2.878 20 30 CFEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000303977750 651010732 /nfs/dbraw/zinc/01/07/32/651010732.db2.gz LQLXNDOKRYGKSP-CQSZACIVSA-N 2 0 276.428 2.760 20 30 CFEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@@H](C)[N@H+](C)C1CC1 ZINC000303971979 651010804 /nfs/dbraw/zinc/01/08/04/651010804.db2.gz FGTNCIGYCOACTG-UONOGXRCSA-N 2 0 282.476 2.588 20 30 CFEDRP CC(C)CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000304739191 651030988 /nfs/dbraw/zinc/03/09/88/651030988.db2.gz BCTNKXLSPQPUFW-MRXNPFEDSA-N 2 0 294.487 2.591 20 30 CFEDRP CC(C)CNC(=[NH2+])NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000304754877 651032081 /nfs/dbraw/zinc/03/20/81/651032081.db2.gz MGKLAZZQLDGHPM-CQSZACIVSA-N 2 0 290.455 2.676 20 30 CFEDRP CCCCCCNC(=[NH2+])NCCC1CC[NH+](CC)CC1 ZINC000304765422 651034052 /nfs/dbraw/zinc/03/40/52/651034052.db2.gz ZHLYFKVHUCGTMW-UHFFFAOYSA-N 2 0 282.476 2.593 20 30 CFEDRP C=C(C)C[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000883390152 645788676 /nfs/dbraw/zinc/78/86/76/645788676.db2.gz GRCLQZDFRXUKOM-JQHSSLGASA-N 2 0 294.483 2.946 20 30 CFEDRP CCC1([NH+]2CCC2)CCN(CCC(C)(C)C#N)CC1 ZINC000886716168 647120104 /nfs/dbraw/zinc/12/01/04/647120104.db2.gz QIHMXFMZLBIIHB-UHFFFAOYSA-N 2 0 263.429 2.877 20 30 CFEDRP C=CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccncc1 ZINC000925498115 648184343 /nfs/dbraw/zinc/18/43/43/648184343.db2.gz MJXRBENDIRIFLF-KKUMJFAQSA-N 2 0 257.381 2.558 20 30 CFEDRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC000925624341 648245422 /nfs/dbraw/zinc/24/54/22/648245422.db2.gz ZQHKCPXXWXEHDP-HUUCEWRRSA-N 2 0 287.407 2.585 20 30 CFEDRP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925691294 648281749 /nfs/dbraw/zinc/28/17/49/648281749.db2.gz NSCDUWZMCYNNBU-UESMBRTFSA-N 2 0 282.431 2.760 20 30 CFEDRP C=CCC[C@@H](CC)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925751649 648307559 /nfs/dbraw/zinc/30/75/59/648307559.db2.gz QLGPJYHOPNLUIR-LLVKDONJSA-N 2 0 265.426 2.705 20 30 CFEDRP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000925784936 648323615 /nfs/dbraw/zinc/32/36/15/648323615.db2.gz UBJDLBSZHWWLRW-CCGTUFIJSA-N 2 0 283.419 2.588 20 30 CFEDRP C[C@@H](CC(C)(C)C#N)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000926574516 648539416 /nfs/dbraw/zinc/53/94/16/648539416.db2.gz VEOJSJAFZOGFQN-UONOGXRCSA-N 2 0 251.418 2.636 20 30 CFEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2CCC(C#N)CC2)[C@@H](C)C1 ZINC000930000770 649163476 /nfs/dbraw/zinc/16/34/76/649163476.db2.gz RKJNYKVWXQHCEH-ZGRYLRDCSA-N 2 0 277.456 2.978 20 30 CFEDRP C[N@H+](CCC[NH+]1CCCC1)CC1CCC(C#N)CC1 ZINC000930310819 649227714 /nfs/dbraw/zinc/22/77/14/649227714.db2.gz PSHXJDWDDDVHPP-UHFFFAOYSA-N 2 0 263.429 2.734 20 30 CFEDRP C[NH+]1C[C@@]2(C)CN(Cc3ccc(CC#N)cc3)C[C@]2(C)C1 ZINC000931312626 649405248 /nfs/dbraw/zinc/40/52/48/649405248.db2.gz VNAIHCPOIHXXBF-ROUUACIJSA-N 2 0 283.419 2.526 20 30 CFEDRP C[NH+]1C[C@]2(C)CN(Cc3ccc(CC#N)cc3)C[C@@]2(C)C1 ZINC000931312625 649405435 /nfs/dbraw/zinc/40/54/35/649405435.db2.gz VNAIHCPOIHXXBF-QZTJIDSGSA-N 2 0 283.419 2.526 20 30 CFEDRP C[C@H](CNC(=[NH2+])NC1CCCCCC1)[N@@H+]1CCCC[C@H]1C ZINC000305750604 651074704 /nfs/dbraw/zinc/07/47/04/651074704.db2.gz ZOYBNXBLAIJAAX-HUUCEWRRSA-N 2 0 294.487 2.876 20 30 CFEDRP C=C(C)[C@@H]1CC=C(C[N@@H+](CCOC)C2CC[NH2+]CC2)CC1 ZINC001235946688 778622010 /nfs/dbraw/zinc/62/20/10/778622010.db2.gz PKIPADUTUNJEQX-QGZVFWFLSA-N 2 0 292.467 2.989 20 30 CFEDRP CCc1cc(C#N)ccc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206808011 769987225 /nfs/dbraw/zinc/98/72/25/769987225.db2.gz JJHRPZFNPNHCKI-ZFWWWQNUSA-N 2 0 271.408 2.680 20 30 CFEDRP C#CCN(C)CCC[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000328165862 775731798 /nfs/dbraw/zinc/73/17/98/775731798.db2.gz JDNJMQNXHIIVMO-JKSUJKDBSA-N 2 0 250.430 2.746 20 30 CFEDRP CC(C)[C@H](C#N)c1ccc(NC(=[NH2+])NCCCC[NH3+])cc1 ZINC001167881097 776715405 /nfs/dbraw/zinc/71/54/05/776715405.db2.gz DFQBQOHEVCNJLW-HNNXBMFYSA-N 2 0 287.411 2.625 20 30 CFEDRP CC(C)(S)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167971534 777435404 /nfs/dbraw/zinc/43/54/04/777435404.db2.gz XLIJRNJFTJIPPR-AGUYFDCRSA-N 2 0 268.470 2.690 20 30 CFEDRP C#CCNC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168011785 777616375 /nfs/dbraw/zinc/61/63/75/777616375.db2.gz SJTTUUFXQROLBC-HUUCEWRRSA-N 2 0 256.393 2.651 20 30 CFEDRP C=CCCCCCCCC[N@@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001234971725 778342572 /nfs/dbraw/zinc/34/25/72/778342572.db2.gz UJTPZKKPVJHZID-IAGOWNOFSA-N 2 0 280.456 2.823 20 30 CFEDRP CCCCCCC/C=C/CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235051876 778367035 /nfs/dbraw/zinc/36/70/35/778367035.db2.gz BDTPJBYEGUMSGY-KBOKABMXSA-N 2 0 279.472 2.540 20 30 CFEDRP CCCCCCCCCC[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235053972 778367947 /nfs/dbraw/zinc/36/79/47/778367947.db2.gz MKJASVKNHVXMKW-KRWDZBQOSA-N 2 0 281.488 2.764 20 30 CFEDRP C#Cc1cccc(C[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC001168299236 778413833 /nfs/dbraw/zinc/41/38/33/778413833.db2.gz IHRHJPSSAJWJAK-UHFFFAOYSA-N 2 0 256.393 2.630 20 30 CFEDRP C=CCCCCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235223408 778420877 /nfs/dbraw/zinc/42/08/77/778420877.db2.gz FAEROBYKMJCGAD-STQMWFEESA-N 2 0 276.346 2.817 20 30 CFEDRP N#Cc1ccc([O-])c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235241318 778427925 /nfs/dbraw/zinc/42/79/25/778427925.db2.gz PJRSQDNQDKZQIV-QGZVFWFLSA-N 2 0 299.418 2.618 20 30 CFEDRP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001235750625 778551953 /nfs/dbraw/zinc/55/19/53/778551953.db2.gz QFDVLMJKMMFAAL-FQEVSTJZSA-N 2 0 290.410 2.867 20 30 CFEDRP C=CCCCCCCCCCN(CC[NH3+])CC[NH3+] ZINC001235876814 778587819 /nfs/dbraw/zinc/58/78/19/778587819.db2.gz JATQRTDNWLIHIO-UHFFFAOYSA-N 2 0 255.450 2.513 20 30 CFEDRP CCCCCCCC[NH+]1CCC(N2CC[NH2+]CC2)CC1 ZINC001236130504 778706196 /nfs/dbraw/zinc/70/61/96/778706196.db2.gz VFWBURRBTNGSLH-UHFFFAOYSA-N 2 0 281.488 2.717 20 30 CFEDRP C=CCc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1O ZINC001236314344 778773903 /nfs/dbraw/zinc/77/39/03/778773903.db2.gz BJNBHWPYCUMVTK-IYBDPMFKSA-N 2 0 286.419 2.552 20 30 CFEDRP N#Cc1cccc(Cl)c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321146 778779324 /nfs/dbraw/zinc/77/93/24/778779324.db2.gz GGKKTWVKGGHYJV-OKILXGFUSA-N 2 0 289.810 2.643 20 30 CFEDRP CCC[N@@H+](Cc1ccc(C#N)cc1CC)C[C@@H]1CC[NH2+]C1 ZINC001236842809 778962263 /nfs/dbraw/zinc/96/22/63/778962263.db2.gz ALSIMICZGHCYFY-MRXNPFEDSA-N 2 0 285.435 2.942 20 30 CFEDRP C=CCOc1cccc(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237405129 779098987 /nfs/dbraw/zinc/09/89/87/779098987.db2.gz PRYXMGFKLDDCGY-WMZOPIPTSA-N 2 0 286.419 2.825 20 30 CFEDRP N#CC1(c2ccccc2-c2ccc(C[NH3+])cc2)CC[NH2+]CC1 ZINC001241918457 781181588 /nfs/dbraw/zinc/18/15/88/781181588.db2.gz XDRNVJSRIYKURN-UHFFFAOYSA-N 2 0 291.398 2.957 20 30 CFEDRP C[C@@H]1C[C@@H](C[NH2+]C2(c3ccc(C#N)cc3)CCC2)CC[NH2+]1 ZINC000594581081 349451558 /nfs/dbraw/zinc/45/15/58/349451558.db2.gz LYXACNWECNXKSC-ZBFHGGJFSA-N 2 0 283.419 2.915 20 30 CFEDRP N#Cc1cccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000594734572 349483920 /nfs/dbraw/zinc/48/39/20/349483920.db2.gz BMKKBSOXVWLULY-SFHVURJKSA-N 2 0 283.419 2.770 20 30 CFEDRP N#CC1(c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000594926936 349512462 /nfs/dbraw/zinc/51/24/62/349512462.db2.gz XZDPCMNLKRIOKG-ROUUACIJSA-N 2 0 295.430 2.958 20 30 CFEDRP N#Cc1csc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000594999977 349542962 /nfs/dbraw/zinc/54/29/62/349542962.db2.gz AHGHDIBOGBVVJN-UHFFFAOYSA-N 2 0 289.448 2.831 20 30 CFEDRP N#Cc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)s1 ZINC000595000150 349543361 /nfs/dbraw/zinc/54/33/61/349543361.db2.gz CYAUUAGFOVFQRP-UHFFFAOYSA-N 2 0 289.448 2.831 20 30 CFEDRP N#CCCCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595511866 349647694 /nfs/dbraw/zinc/64/76/94/349647694.db2.gz UBWYOVJBSNNUQM-UHFFFAOYSA-N 2 0 271.408 2.934 20 30 CFEDRP N#Cc1ccc(CC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000595895339 349764447 /nfs/dbraw/zinc/76/44/47/349764447.db2.gz JGDQOTAPKKMGCN-GOSISDBHSA-N 2 0 283.419 2.565 20 30 CFEDRP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000596095395 349793644 /nfs/dbraw/zinc/79/36/44/349793644.db2.gz PZITXJMYVAOTPA-IXDOHACOSA-N 2 0 275.440 2.780 20 30 CFEDRP CC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c1ccc(C#N)cc1 ZINC000596653386 349969723 /nfs/dbraw/zinc/96/97/23/349969723.db2.gz KEIPIFMXRKWPJV-HZPDHXFCSA-N 2 0 259.397 2.972 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000268989880 348328819 /nfs/dbraw/zinc/32/88/19/348328819.db2.gz JNAJUHXUMKQKFO-GJZGRUSLSA-N 2 0 274.408 2.689 20 30 CFEDRP C[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)[C@@H]1CC[NH3+] ZINC000404303792 348590384 /nfs/dbraw/zinc/59/03/84/348590384.db2.gz CGHFPNPFUFQMRP-XJKSGUPXSA-N 2 0 257.381 2.508 20 30 CFEDRP C[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)[C@@H]1CC[NH3+] ZINC000404303790 348590536 /nfs/dbraw/zinc/59/05/36/348590536.db2.gz CGHFPNPFUFQMRP-CZUORRHYSA-N 2 0 257.381 2.508 20 30 CFEDRP C[C@H]([NH2+]Cc1ccc(CC#N)cc1)C1CC[NH+](C)CC1 ZINC000399032100 348568392 /nfs/dbraw/zinc/56/83/92/348568392.db2.gz JXAVZMXCYOODFV-AWEZNQCLSA-N 2 0 271.408 2.573 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000591578288 349031744 /nfs/dbraw/zinc/03/17/44/349031744.db2.gz MLPCZDMFKPSZNJ-NVXWUHKLSA-N 2 0 269.392 2.667 20 30 CFEDRP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(C#N)c1 ZINC000591582309 349032971 /nfs/dbraw/zinc/03/29/71/349032971.db2.gz FZFPRMNHPGHLKY-CJNGLKHVSA-N 2 0 269.392 2.884 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000591686616 349038408 /nfs/dbraw/zinc/03/84/08/349038408.db2.gz WFLLTCMCVJELEQ-BRWVUGGUSA-N 2 0 269.392 2.795 20 30 CFEDRP N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000592493398 349128061 /nfs/dbraw/zinc/12/80/61/349128061.db2.gz OPZKWLZEMKBJMK-ROUUACIJSA-N 2 0 283.419 2.770 20 30 CFEDRP N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000592493396 349128202 /nfs/dbraw/zinc/12/82/02/349128202.db2.gz OPZKWLZEMKBJMK-MSOLQXFVSA-N 2 0 283.419 2.770 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)CC2 ZINC000593323661 349247352 /nfs/dbraw/zinc/24/73/52/349247352.db2.gz SRLPIFFQJWFYOV-GOSISDBHSA-N 2 0 295.361 2.933 20 30 CFEDRP N#Cc1ccccc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000598682539 350310111 /nfs/dbraw/zinc/31/01/11/350310111.db2.gz OKVYISSXNUDIOX-KRWDZBQOSA-N 2 0 283.419 2.770 20 30 CFEDRP N#Cc1ccccc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000598681545 350310152 /nfs/dbraw/zinc/31/01/52/350310152.db2.gz GUULLVRMBXEMEQ-KRWDZBQOSA-N 2 0 283.419 2.770 20 30 CFEDRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cccc(C#N)c1 ZINC000602020167 350834073 /nfs/dbraw/zinc/83/40/73/350834073.db2.gz JUSPTGCIDCBMCE-XEZPLFJOSA-N 2 0 257.381 2.726 20 30 CFEDRP C[C@H](CCC#N)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000602478247 350898844 /nfs/dbraw/zinc/89/88/44/350898844.db2.gz OKLWNEQSWPKHTM-CVEARBPZSA-N 2 0 263.429 2.877 20 30 CFEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cccc(C#N)n1 ZINC000602515106 350911287 /nfs/dbraw/zinc/91/12/87/350911287.db2.gz UHENJJZXKWXPGZ-OAHLLOKOSA-N 2 0 286.423 2.697 20 30 CFEDRP C[C@H](CCC#N)C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000602516997 350912269 /nfs/dbraw/zinc/91/22/69/350912269.db2.gz UYOLXMNLAFXGOP-OAHLLOKOSA-N 2 0 289.423 2.656 20 30 CFEDRP N#CC1CCC([NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000602523553 350914020 /nfs/dbraw/zinc/91/40/20/350914020.db2.gz ZQTRGDOXVNZBHG-UHFFFAOYSA-N 2 0 261.413 2.675 20 30 CFEDRP CC[NH+]1CCC(CC[NH2+]C[C@H](C)CCC#N)CC1 ZINC000602558314 350923698 /nfs/dbraw/zinc/92/36/98/350923698.db2.gz OKHDJUTYZUBHAE-CQSZACIVSA-N 2 0 251.418 2.638 20 30 CFEDRP C[C@@H](CCC#N)C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000602583608 350934556 /nfs/dbraw/zinc/93/45/56/350934556.db2.gz ZVTNLDZEXTWJHQ-HNNXBMFYSA-N 2 0 286.423 2.827 20 30 CFEDRP CC[NH+](CC)CC1CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000602437815 350882450 /nfs/dbraw/zinc/88/24/50/350882450.db2.gz ADSSQKKLHVAVJF-HNNXBMFYSA-N 2 0 265.445 2.980 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](C)CCC#N)C[C@@H]1C ZINC000602470801 350895161 /nfs/dbraw/zinc/89/51/61/350895161.db2.gz HWNDCCFQBNKBHO-ILXRZTDVSA-N 2 0 251.418 2.731 20 30 CFEDRP C[C@@H](CCC#N)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000602631685 350953615 /nfs/dbraw/zinc/95/36/15/350953615.db2.gz QQRPAPJZIBZMHL-AWEZNQCLSA-N 2 0 251.418 2.638 20 30 CFEDRP C[NH+]1CCC2(CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC000602878879 351056300 /nfs/dbraw/zinc/05/63/00/351056300.db2.gz ZVCSYKFYPIVWBL-UHFFFAOYSA-N 2 0 287.382 2.615 20 30 CFEDRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611392893 351680335 /nfs/dbraw/zinc/68/03/35/351680335.db2.gz UCLQVXWFEKZAHE-MAUKXSAKSA-N 2 0 283.419 2.867 20 30 CFEDRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611392029 351680462 /nfs/dbraw/zinc/68/04/62/351680462.db2.gz FKLYZSCRUBIRPR-DYVFJYSZSA-N 2 0 271.408 2.865 20 30 CFEDRP C[C@H]1CCN(CC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611393404 351681523 /nfs/dbraw/zinc/68/15/23/351681523.db2.gz FJZGIZTYUJMMLT-KBXCAEBGSA-N 2 0 283.419 2.867 20 30 CFEDRP C#CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000271600531 191235655 /nfs/dbraw/zinc/23/56/55/191235655.db2.gz ZMZNYSRPBVZGDY-KSZLIROESA-N 2 0 268.404 2.967 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152411797 188016678 /nfs/dbraw/zinc/01/66/78/188016678.db2.gz OXNWMZNLHAQVBX-JKSUJKDBSA-N 2 0 298.430 2.834 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152411609 188016942 /nfs/dbraw/zinc/01/69/42/188016942.db2.gz OXNWMZNLHAQVBX-HOTGVXAUSA-N 2 0 298.430 2.834 20 30 CFEDRP C=CC[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](CC=C)C2)C1 ZINC000625703890 354091481 /nfs/dbraw/zinc/09/14/81/354091481.db2.gz LRYPSXYVXNFEEH-HDICACEKSA-N 2 0 292.467 2.799 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000414907562 540830371 /nfs/dbraw/zinc/83/03/71/540830371.db2.gz AORWJDIPTNNUTN-CABCVRRESA-N 2 0 290.407 2.620 20 30 CFEDRP Cc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)ccc1C#N ZINC000443994980 241105010 /nfs/dbraw/zinc/10/50/10/241105010.db2.gz GIZKMHVLYLTVBI-UHFFFAOYSA-N 2 0 271.408 2.688 20 30 CFEDRP Cc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)ccc1C#N ZINC000446890321 241337390 /nfs/dbraw/zinc/33/73/90/241337390.db2.gz JHLVEADMEICGLJ-UHFFFAOYSA-N 2 0 283.419 2.831 20 30 CFEDRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000037649448 372683855 /nfs/dbraw/zinc/68/38/55/372683855.db2.gz RVDCYLLTWGEOAL-ZFWWWQNUSA-N 2 0 269.392 2.693 20 30 CFEDRP CC(C)[N@H+](C)CCCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000264130783 383698722 /nfs/dbraw/zinc/69/87/22/383698722.db2.gz YAJMAJAADNAMJF-UHFFFAOYSA-N 2 0 288.439 2.632 20 30 CFEDRP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093452467 375244114 /nfs/dbraw/zinc/24/41/14/375244114.db2.gz GKXCEKGOZAWNOB-IXDOHACOSA-N 2 0 269.392 2.569 20 30 CFEDRP CCc1cccc(NC(=[NH2+])NCC(C)(C)C[NH+](C)C)c1 ZINC000104153656 375770272 /nfs/dbraw/zinc/77/02/72/375770272.db2.gz ZLVVBWPOIAAXBQ-UHFFFAOYSA-N 2 0 276.428 2.563 20 30 CFEDRP C=CCC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC1 ZINC000121255376 376791300 /nfs/dbraw/zinc/79/13/00/376791300.db2.gz FJMAXCLKLPUAPH-MAUKXSAKSA-N 2 0 292.467 2.822 20 30 CFEDRP C=CCC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C1CC1 ZINC000121255705 376791633 /nfs/dbraw/zinc/79/16/33/376791633.db2.gz FJMAXCLKLPUAPH-CRAIPNDOSA-N 2 0 292.467 2.822 20 30 CFEDRP C[C@H]1C[C@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)CN1C1CC1 ZINC000127603607 377289376 /nfs/dbraw/zinc/28/93/76/377289376.db2.gz ACRYBZNZIUUPAX-DLCANAPRSA-N 2 0 295.430 2.825 20 30 CFEDRP C=CC[NH+](CC=C)[C@@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000152066259 378389455 /nfs/dbraw/zinc/38/94/55/378389455.db2.gz FBSJWBYALGGIEI-BZSNNMDCSA-N 2 0 293.499 2.757 20 30 CFEDRP N#Cc1cccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278497312 194012773 /nfs/dbraw/zinc/01/27/73/194012773.db2.gz MWMCNPBCKAPXNN-UHFFFAOYSA-N 2 0 269.392 2.522 20 30 CFEDRP C#CC[N@@H+](CCCCn1ccnc1C)C1CCCC1 ZINC000162243968 378903364 /nfs/dbraw/zinc/90/33/64/378903364.db2.gz AIKRXQMRGRPOJE-UHFFFAOYSA-N 2 0 259.397 2.850 20 30 CFEDRP C[C@]1(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CCC[NH2+]C1 ZINC000335492866 379398048 /nfs/dbraw/zinc/39/80/48/379398048.db2.gz RXPHDTZORGHQSI-SJORKVTESA-N 2 0 269.392 2.525 20 30 CFEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000335502097 379411154 /nfs/dbraw/zinc/41/11/54/379411154.db2.gz VGMLGFKXWWFSSX-SFHVURJKSA-N 2 0 281.403 2.835 20 30 CFEDRP N#C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000336253288 380297361 /nfs/dbraw/zinc/29/73/61/380297361.db2.gz AQACOLPNGBDMHN-UKRRQHHQSA-N 2 0 261.413 2.675 20 30 CFEDRP C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000180542478 380675045 /nfs/dbraw/zinc/67/50/45/380675045.db2.gz NZOHOJFBRVBXMH-IJEWVQPXSA-N 2 0 299.418 2.865 20 30 CFEDRP N#Cc1ccc(CN2CCC([NH2+]Cc3ccco3)CC2)cc1 ZINC000181393176 380785290 /nfs/dbraw/zinc/78/52/90/380785290.db2.gz QPSIWICEDMYVAK-UHFFFAOYSA-N 2 0 295.386 2.905 20 30 CFEDRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000181557882 380827432 /nfs/dbraw/zinc/82/74/32/380827432.db2.gz VQFYLDIVFNHELP-HOCLYGCPSA-N 2 0 271.408 2.941 20 30 CFEDRP C=C(CC)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358515269 380899103 /nfs/dbraw/zinc/89/91/03/380899103.db2.gz XTFSNFJEBVIIIN-IYBDPMFKSA-N 2 0 280.456 2.774 20 30 CFEDRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181875324 380923887 /nfs/dbraw/zinc/92/38/87/380923887.db2.gz VMSDCMWPRMITLH-YOEHRIQHSA-N 2 0 289.423 2.566 20 30 CFEDRP C#C[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000289579796 381053757 /nfs/dbraw/zinc/05/37/57/381053757.db2.gz TWMNGKGOGVBSNO-ZMSDIMECSA-N 2 0 256.393 2.651 20 30 CFEDRP C#CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000296452720 381401276 /nfs/dbraw/zinc/40/12/76/381401276.db2.gz MUNDBOUFCVXJRA-HDMKZQKVSA-N 2 0 286.419 2.517 20 30 CFEDRP C=CC[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000349755425 381986143 /nfs/dbraw/zinc/98/61/43/381986143.db2.gz GCWSGCJGQZRREU-DJIMGWMZSA-N 2 0 280.456 2.556 20 30 CFEDRP C[NH+](C)[C@@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)CC1 ZINC000375625982 382094077 /nfs/dbraw/zinc/09/40/77/382094077.db2.gz QMRZDUWGJGSKKJ-MRXNPFEDSA-N 2 0 293.455 2.503 20 30 CFEDRP N#CCCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000309683112 382490106 /nfs/dbraw/zinc/49/01/06/382490106.db2.gz BAERLSRXPCEXIJ-RCCFBDPRSA-N 2 0 283.419 2.790 20 30 CFEDRP C#CCN(C)CCC[NH2+][C@H]1CCSc2ccccc21 ZINC000295061434 382571725 /nfs/dbraw/zinc/57/17/25/382571725.db2.gz REQLPLRWXXGHIL-HNNXBMFYSA-N 2 0 274.433 2.768 20 30 CFEDRP CN1CCC[C@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237086691 382949974 /nfs/dbraw/zinc/94/99/74/382949974.db2.gz DGYFGRCQGVDIBN-INIZCTEOSA-N 2 0 287.407 2.553 20 30 CFEDRP C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@H]1CCC[NH2+]C1 ZINC000423010109 383009492 /nfs/dbraw/zinc/00/94/92/383009492.db2.gz WZNDTSJWRLFNEG-ZENOOKHLSA-N 2 0 257.381 2.597 20 30 CFEDRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(C#N)c(F)c1 ZINC000423407347 383086427 /nfs/dbraw/zinc/08/64/27/383086427.db2.gz ZYQSOEHVYYLPPK-BPNCWPANSA-N 2 0 261.344 2.618 20 30 CFEDRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000423445239 383098876 /nfs/dbraw/zinc/09/88/76/383098876.db2.gz XRNRMOFAKOHZKA-VXGBXAGGSA-N 2 0 263.360 2.865 20 30 CFEDRP C[C@@H]1C[C@H](CC[NH2+]CCC#N)C[N@@H+]1Cc1ccccc1 ZINC000566117360 383184045 /nfs/dbraw/zinc/18/40/45/383184045.db2.gz UNKYUVAGXKHOOY-WBVHZDCISA-N 2 0 271.408 2.790 20 30 CFEDRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCC#N)CC1 ZINC000449235246 383184613 /nfs/dbraw/zinc/18/46/13/383184613.db2.gz TZZQCFMXUOSOQW-MRXNPFEDSA-N 2 0 285.435 2.975 20 30 CFEDRP C=CCCCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000566837270 383216778 /nfs/dbraw/zinc/21/67/78/383216778.db2.gz CFHHAZNVVYOIKB-UHFFFAOYSA-N 2 0 293.499 2.833 20 30 CFEDRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1cccc(C#N)c1 ZINC000423095159 532977958 /nfs/dbraw/zinc/97/79/58/532977958.db2.gz DLIYUGUCXSJKKB-DNVCBOLYSA-N 2 0 293.414 2.649 20 30 CFEDRP C=CCC[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449702302 383362423 /nfs/dbraw/zinc/36/24/23/383362423.db2.gz YLMABTYACBBHEB-CGTJXYLNSA-N 2 0 294.483 2.946 20 30 CFEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000570673562 383624302 /nfs/dbraw/zinc/62/43/02/383624302.db2.gz DZPCNIVMHBDTBH-GOSISDBHSA-N 2 0 283.419 2.915 20 30 CFEDRP C#CCCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000271010207 385302430 /nfs/dbraw/zinc/30/24/30/385302430.db2.gz HTQWWZKAXWUSMI-GOSISDBHSA-N 2 0 270.420 2.854 20 30 CFEDRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000271980030 385417596 /nfs/dbraw/zinc/41/75/96/385417596.db2.gz YNNMQATZZOTOIN-STQMWFEESA-N 2 0 287.382 2.832 20 30 CFEDRP CCC#C[C@H](C)[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000682535775 542564249 /nfs/dbraw/zinc/56/42/49/542564249.db2.gz IPOQYZMCWCVUHV-IXDOHACOSA-N 2 0 280.456 2.515 20 30 CFEDRP CC[N@H+](C)C[C@H]1CC[NH+](CCCCC(C)(C)C#N)C1 ZINC000336806066 262395811 /nfs/dbraw/zinc/39/58/11/262395811.db2.gz DBGFOVYYNDDYBD-OAHLLOKOSA-N 2 0 265.445 2.980 20 30 CFEDRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(C)(C)C#N)C1 ZINC000336803263 262395913 /nfs/dbraw/zinc/39/59/13/262395913.db2.gz XROHHEFIRNAZLH-HNNXBMFYSA-N 2 0 263.429 2.590 20 30 CFEDRP C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000373864315 393475770 /nfs/dbraw/zinc/47/57/70/393475770.db2.gz CHUFOQZIDYECBX-MAUKXSAKSA-N 2 0 292.467 2.964 20 30 CFEDRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000335600360 393683175 /nfs/dbraw/zinc/68/31/75/393683175.db2.gz LCZXKJUWRFYPNR-BARLLCKDSA-N 2 0 297.446 2.978 20 30 CFEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000335452306 393669301 /nfs/dbraw/zinc/66/93/01/393669301.db2.gz NRZCQBTUHLWRGI-QGZVFWFLSA-N 2 0 269.392 2.667 20 30 CFEDRP CC[NH+](CC)CCOC1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000339009494 393809811 /nfs/dbraw/zinc/80/98/11/393809811.db2.gz KEFQTYXLDQHVLL-HZPDHXFCSA-N 2 0 293.455 2.501 20 30 CFEDRP COc1ccc(C#N)cc1C[N@H+](C)CCCn1ccnc1C ZINC000130829705 394120719 /nfs/dbraw/zinc/12/07/19/394120719.db2.gz IZAPLVPLMUKKDF-UHFFFAOYSA-N 2 0 298.390 2.594 20 30 CFEDRP C#CC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000366793413 394248177 /nfs/dbraw/zinc/24/81/77/394248177.db2.gz YDDAOLLZCRSOFI-JCHJZTRSSA-N 2 0 282.431 2.898 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000151118327 394261259 /nfs/dbraw/zinc/26/12/59/394261259.db2.gz MKQKOBCFVMUYDC-ZBFHGGJFSA-N 2 0 286.419 2.966 20 30 CFEDRP C[C@H]([NH3+])CC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000423225789 394274158 /nfs/dbraw/zinc/27/41/58/394274158.db2.gz OGUBLVARMJRCNY-LRDDRELGSA-N 2 0 257.381 2.653 20 30 CFEDRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccc(C#N)c1 ZINC000423542473 394294912 /nfs/dbraw/zinc/29/49/12/394294912.db2.gz UAKLJYHFUMTFOC-ZDUSSCGKSA-N 2 0 255.365 2.519 20 30 CFEDRP C=C(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000647793835 395431199 /nfs/dbraw/zinc/43/11/99/395431199.db2.gz JPDGETNPYCKSRC-BRWVUGGUSA-N 2 0 256.393 2.678 20 30 CFEDRP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@H]1CCC[NH2+]C1 ZINC000422974047 287050562 /nfs/dbraw/zinc/05/05/62/287050562.db2.gz QDVYETMGXUJRIR-ZENOOKHLSA-N 2 0 257.381 2.597 20 30 CFEDRP C=CCCCCC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660698383 413503730 /nfs/dbraw/zinc/50/37/30/413503730.db2.gz PRCWSUVZYTWHKC-UHFFFAOYSA-N 2 0 282.472 2.805 20 30 CFEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000657835043 413987719 /nfs/dbraw/zinc/98/77/19/413987719.db2.gz RZOJPDFLYNUMTO-QZTJIDSGSA-N 2 0 293.499 2.739 20 30 CFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCN1CCCO ZINC000658026401 414111524 /nfs/dbraw/zinc/11/15/24/414111524.db2.gz UEXXOTSODBCKED-IKGGRYGDSA-N 2 0 280.456 2.558 20 30 CFEDRP C=CCC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000658117367 414216437 /nfs/dbraw/zinc/21/64/37/414216437.db2.gz UXVBWTIUQGNSAQ-CQSZACIVSA-N 2 0 262.397 2.854 20 30 CFEDRP C=CCCC1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CCCC1 ZINC000656703362 414643429 /nfs/dbraw/zinc/64/34/29/414643429.db2.gz REOBIONADOOUAJ-INIZCTEOSA-N 2 0 280.456 2.559 20 30 CFEDRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000411170189 262682014 /nfs/dbraw/zinc/68/20/14/262682014.db2.gz AFRXODFDTXFOOO-AWEZNQCLSA-N 2 0 251.418 2.732 20 30 CFEDRP C=CCOc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414765819 263041044 /nfs/dbraw/zinc/04/10/44/263041044.db2.gz GKFYFOHYJCTOJT-CALCHBBNSA-N 2 0 286.419 2.683 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414932159 263137828 /nfs/dbraw/zinc/13/78/28/263137828.db2.gz VMEHPICCNRKJGY-LSDHHAIUSA-N 2 0 260.381 2.611 20 30 CFEDRP C=CCOc1cccc(C[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000415054066 263258847 /nfs/dbraw/zinc/25/88/47/263258847.db2.gz DSZLKEJARGISAV-AWEZNQCLSA-N 2 0 262.397 2.859 20 30 CFEDRP C[N@@H+]1CCC[C@H](CNCCC#N)[C@H]1c1ccccc1 ZINC000367490304 267094928 /nfs/dbraw/zinc/09/49/28/267094928.db2.gz SAJYTZPQLQVNPT-HZPDHXFCSA-N 2 0 257.381 2.573 20 30 CFEDRP C=C(Cl)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367887744 267124939 /nfs/dbraw/zinc/12/49/39/267124939.db2.gz VYZAHAJPQBLESN-UHFFFAOYSA-N 2 0 279.815 2.982 20 30 CFEDRP C#CCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000377199335 268055751 /nfs/dbraw/zinc/05/57/51/268055751.db2.gz ULFWIUYCGXAFCI-UHFFFAOYSA-N 2 0 282.431 2.998 20 30 CFEDRP C[NH+]1CCC2(CCC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC000369703339 277036804 /nfs/dbraw/zinc/03/68/04/277036804.db2.gz MFUYNOOFEJITQC-UHFFFAOYSA-N 2 0 283.419 2.866 20 30 CFEDRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000037649292 278354838 /nfs/dbraw/zinc/35/48/38/278354838.db2.gz FLLYNFUTGRDYAO-UKRRQHHQSA-N 2 0 269.392 2.693 20 30 CFEDRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(C#N)cc1 ZINC000423545146 288072297 /nfs/dbraw/zinc/07/22/97/288072297.db2.gz OUSBANPMHSGEKQ-TVFCKZIOSA-N 2 0 283.419 2.987 20 30 CFEDRP CC[C@H]([NH2+][C@H](C)CC[NH+](C)C)c1ccc(C#N)cc1 ZINC000562592732 290058449 /nfs/dbraw/zinc/05/84/49/290058449.db2.gz VEDVIWSWDLUWHD-CJNGLKHVSA-N 2 0 259.397 2.939 20 30 CFEDRP N#Cc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000293041963 303191071 /nfs/dbraw/zinc/19/10/71/303191071.db2.gz QTZSXMIBOXVHAZ-UHFFFAOYSA-N 2 0 271.408 2.914 20 30 CFEDRP C#CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000377647167 329022759 /nfs/dbraw/zinc/02/27/59/329022759.db2.gz LVXQSSLLKTUUND-MSOLQXFVSA-N 2 0 298.430 2.805 20 30 CFEDRP C=CCC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177510307 329185110 /nfs/dbraw/zinc/18/51/10/329185110.db2.gz GXKJKLSCNBXVGJ-HOTGVXAUSA-N 2 0 280.456 2.774 20 30 CFEDRP CC1CC[NH+](CCC[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185760532 329331333 /nfs/dbraw/zinc/33/13/33/329331333.db2.gz GSNQEWZPXAZAIS-HOTGVXAUSA-N 2 0 263.429 2.780 20 30 CFEDRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185760181 329331351 /nfs/dbraw/zinc/33/13/51/329331351.db2.gz QBWIYNILTVIJAA-IAGOWNOFSA-N 2 0 271.408 2.920 20 30 CFEDRP C=CCCC[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188328532 329366383 /nfs/dbraw/zinc/36/63/83/329366383.db2.gz CAUHMRIZMWKOTJ-SFHVURJKSA-N 2 0 288.435 2.521 20 30 CFEDRP N#C[C@@H]1CC[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000583815917 329482457 /nfs/dbraw/zinc/48/24/57/329482457.db2.gz FEPVXVMYKPRKPB-HZPDHXFCSA-N 2 0 284.407 2.580 20 30 CFEDRP C=CCN1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422857013 330157917 /nfs/dbraw/zinc/15/79/17/330157917.db2.gz GJMCUBTUVGYETO-RCCFBDPRSA-N 2 0 291.483 2.537 20 30 CFEDRP C=CCN1CCC([NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000422861259 330158136 /nfs/dbraw/zinc/15/81/36/330158136.db2.gz NUAMIHKBQXCYLA-RDJZCZTQSA-N 2 0 279.472 2.537 20 30 CFEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423151527 330172848 /nfs/dbraw/zinc/17/28/48/330172848.db2.gz CNQVQOWWSONZJU-ZOFXXKQRSA-N 2 0 275.440 2.969 20 30 CFEDRP C=CCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000423149969 330172891 /nfs/dbraw/zinc/17/28/91/330172891.db2.gz BIBRXDCTFXMKRD-GVDBMIGSSA-N 2 0 292.467 2.870 20 30 CFEDRP CC(C)(CC#N)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423165875 330174041 /nfs/dbraw/zinc/17/40/41/330174041.db2.gz BLWYJVQEOMGFMG-RRFJBIMHSA-N 2 0 263.429 2.827 20 30 CFEDRP C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423191920 330175950 /nfs/dbraw/zinc/17/59/50/330175950.db2.gz UECAPMBLPXOMHK-DJIMGWMZSA-N 2 0 258.409 2.904 20 30 CFEDRP C[NH2+]CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423205505 330177031 /nfs/dbraw/zinc/17/70/31/330177031.db2.gz VZUDSZKIHGJJBK-UHFFFAOYSA-N 2 0 271.408 2.590 20 30 CFEDRP N#CC1(c2ccccc2)CCC([NH2+]CC[C@@H]2CC[NH2+]C2)CC1 ZINC000423252693 330182987 /nfs/dbraw/zinc/18/29/87/330182987.db2.gz UHYMRPWEIZKLQD-IVMQYODDSA-N 2 0 297.446 2.980 20 30 CFEDRP N#C[C@H]1CCC[C@@H](NCC[NH2+]C2CCCCCC2)C1 ZINC000423280221 330185494 /nfs/dbraw/zinc/18/54/94/330185494.db2.gz SMOPKYPXEZRDES-GOEBONIOSA-N 2 0 263.429 2.971 20 30 CFEDRP C[C@H]([NH3+])[C@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423454971 330203384 /nfs/dbraw/zinc/20/33/84/330203384.db2.gz ZUDDJPSDMNRGGS-JCAIJIATSA-N 2 0 271.408 2.716 20 30 CFEDRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)ccc1F ZINC000442771893 330781839 /nfs/dbraw/zinc/78/18/39/330781839.db2.gz UYAOYKIWURSRJI-SWLSCSKDSA-N 2 0 275.371 2.669 20 30 CFEDRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000449444723 330925929 /nfs/dbraw/zinc/92/59/29/330925929.db2.gz CWBMDQRFYXWDQA-ZFWWWQNUSA-N 2 0 263.429 2.921 20 30 CFEDRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000459781815 331300743 /nfs/dbraw/zinc/30/07/43/331300743.db2.gz MOLFNXAOMYZKAZ-FHERZECASA-N 2 0 263.429 2.780 20 30 CFEDRP C[C@@H]1C[NH+](CCCC[NH2+]CC(C)(C)CCC#N)C[C@@H](C)O1 ZINC000174316393 335152442 /nfs/dbraw/zinc/15/24/42/335152442.db2.gz NITVXDZOPFYIJR-HZPDHXFCSA-N 2 0 295.471 2.795 20 30 CFEDRP CC#CC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000249499908 334335015 /nfs/dbraw/zinc/33/50/15/334335015.db2.gz WYSANOGXDNKWRX-VQFNDLOPSA-N 2 0 270.420 2.756 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000245417241 521720349 /nfs/dbraw/zinc/72/03/49/521720349.db2.gz FVWXRFDWSPQLTC-YOEHRIQHSA-N 2 0 271.408 2.720 20 30 CFEDRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000062077867 525491457 /nfs/dbraw/zinc/49/14/57/525491457.db2.gz FMXCQFOLRUQTJS-LSDHHAIUSA-N 2 0 271.408 2.941 20 30 CFEDRP C=CC[NH+]1CCC(Nc2cc[nH+]c(C)c2Cl)CC1 ZINC000352844533 526415871 /nfs/dbraw/zinc/41/58/71/526415871.db2.gz BTUNBPNWAPITRD-UHFFFAOYSA-N 2 0 265.788 2.528 20 30 CFEDRP C=CCOc1cccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000347197900 526899723 /nfs/dbraw/zinc/89/97/23/526899723.db2.gz IGXMXOOBSDWAHR-HOCLYGCPSA-N 2 0 274.408 2.811 20 30 CFEDRP C=CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccncc1 ZINC000754796191 574120975 /nfs/dbraw/zinc/12/09/75/574120975.db2.gz SVCKKLYDDYRYFV-BBWFWOEESA-N 2 0 271.408 2.915 20 30 CFEDRP C#CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000733326285 574221826 /nfs/dbraw/zinc/22/18/26/574221826.db2.gz UNOHVZLWGGTYCZ-KRWDZBQOSA-N 2 0 286.419 2.519 20 30 CFEDRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(OCC#N)cc1 ZINC000044516428 618026850 /nfs/dbraw/zinc/02/68/50/618026850.db2.gz XZLJFJUNHLODOQ-AWEZNQCLSA-N 2 0 287.407 2.581 20 30 CFEDRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(OCC#N)cc1 ZINC000051694029 618048997 /nfs/dbraw/zinc/04/89/97/618048997.db2.gz HUEGJVNKDGUVEC-LRVUVFPRSA-N 2 0 273.380 2.509 20 30 CFEDRP CC(C)C[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCCCCC2)C1 ZINC000157384706 618174760 /nfs/dbraw/zinc/17/47/60/618174760.db2.gz ASODTOLHNLKKIY-MRXNPFEDSA-N 2 0 294.487 2.545 20 30 CFEDRP C[C@H](CC(C)(C)C#N)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000926557600 618205583 /nfs/dbraw/zinc/20/55/83/618205583.db2.gz CYIVFGIXVDDLIF-CYBMUJFWSA-N 2 0 251.418 2.779 20 30 CFEDRP CCCCCCNC(=[NH2+])NCCC[NH+]1CCC(C)CC1 ZINC000303772448 618309124 /nfs/dbraw/zinc/30/91/24/618309124.db2.gz DOVOUJVYRRWYLF-UHFFFAOYSA-N 2 0 282.476 2.593 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925665500 618432500 /nfs/dbraw/zinc/43/25/00/618432500.db2.gz LVNUFIABUGHKCM-HZPDHXFCSA-N 2 0 272.392 2.611 20 30 CFEDRP C=CCN1CCC([NH2+]Cc2c(C)nn(C(C)C)c2C)CC1 ZINC000892880858 618762500 /nfs/dbraw/zinc/76/25/00/618762500.db2.gz MJTAYWMLAGWMMG-UHFFFAOYSA-N 2 0 290.455 2.821 20 30 CFEDRP CCC[NH+]1CCC(C[NH2+]CC#Cc2ccccc2)CC1 ZINC000892939212 618774265 /nfs/dbraw/zinc/77/42/65/618774265.db2.gz NONYPRRYUQWYKR-UHFFFAOYSA-N 2 0 270.420 2.750 20 30 CFEDRP CC(C)(CC#N)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925696150 618948016 /nfs/dbraw/zinc/94/80/16/618948016.db2.gz STZDJAGUPNNOLF-HUUCEWRRSA-N 2 0 263.429 2.684 20 30 CFEDRP N#C[C@H]1CC[C@@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925706917 618961733 /nfs/dbraw/zinc/96/17/33/618961733.db2.gz PALGNHJVRGWCCD-NUEKZKHPSA-N 2 0 257.381 2.748 20 30 CFEDRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1C#N ZINC000925837332 619168707 /nfs/dbraw/zinc/16/87/07/619168707.db2.gz GDFGZURUSTXNLB-FGTMMUONSA-N 2 0 283.419 2.877 20 30 CFEDRP Cc1nccn1CCC[N@@H+](C)Cc1csc(C#N)c1 ZINC000894476574 619395667 /nfs/dbraw/zinc/39/56/67/619395667.db2.gz PVSVKGFSPNWMEP-UHFFFAOYSA-N 2 0 274.393 2.647 20 30 CFEDRP [NH2+]=C(NCCCCC[NH+]1CCCCC1)N1CCCCCC1 ZINC000305063373 619986713 /nfs/dbraw/zinc/98/67/13/619986713.db2.gz LXVBSSYGMJSETE-UHFFFAOYSA-N 2 0 294.487 2.833 20 30 CFEDRP N#Cc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903199905 621283379 /nfs/dbraw/zinc/28/33/79/621283379.db2.gz OLQZRWILLJVBBD-JLYLLQBASA-N 2 0 295.430 2.848 20 30 CFEDRP C=CC[N@H+](Cc1cccs1)C[C@H]1CC[C@@H]([NH3+])C1 ZINC000903426733 621370681 /nfs/dbraw/zinc/37/06/81/621370681.db2.gz MDRHXBJHUXNIKT-QWHCGFSZSA-N 2 0 250.411 2.864 20 30 CFEDRP C[NH2+]CC1CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000903423575 621379046 /nfs/dbraw/zinc/37/90/46/621379046.db2.gz XFXVFHAZOXWFJF-UHFFFAOYSA-N 2 0 277.799 2.643 20 30 CFEDRP C[NH2+]CC1CC[NH+](Cc2c(C)cc(C#N)cc2C)CC1 ZINC000903423322 621379130 /nfs/dbraw/zinc/37/91/30/621379130.db2.gz SBIQOJUNWPZLOA-UHFFFAOYSA-N 2 0 271.408 2.607 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000903423603 621379189 /nfs/dbraw/zinc/37/91/89/621379189.db2.gz YONQXPXXWFMMHE-CQSZACIVSA-N 2 0 271.408 2.734 20 30 CFEDRP C[C@@H]1C[C@@H](C)[N@H+](CC2CCC(C#N)CC2)C[C@H]1C[NH3+] ZINC000903459954 621381231 /nfs/dbraw/zinc/38/12/31/621381231.db2.gz RXUWFMDVPHXYDQ-BKAAIYKLSA-N 2 0 263.429 2.622 20 30 CFEDRP C[NH2+]CCC1CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000903447501 621385171 /nfs/dbraw/zinc/38/51/71/621385171.db2.gz VCXKUWBHKRQVFP-UHFFFAOYSA-N 2 0 263.429 2.638 20 30 CFEDRP C[C@@H]([NH3+])C1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000903716460 621424717 /nfs/dbraw/zinc/42/47/17/621424717.db2.gz NTVAWUSKTQETLG-CQSZACIVSA-N 2 0 263.429 2.910 20 30 CFEDRP C[C@H]1C[N@H+](CCCCC2(C#N)CCC2)CC[C@H]1C[NH3+] ZINC000903788964 621442326 /nfs/dbraw/zinc/44/23/26/621442326.db2.gz SFFSZMMNJJZIAZ-GJZGRUSLSA-N 2 0 263.429 2.767 20 30 CFEDRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000903949405 621486470 /nfs/dbraw/zinc/48/64/70/621486470.db2.gz AMKSRCSISABNRZ-XJKCOSOUSA-N 2 0 257.381 2.739 20 30 CFEDRP C=C(C)CNC(NC[C@H]1CC[N@@H+](CCC)C1)=[NH+]C(C)(C)C ZINC000912499239 622730106 /nfs/dbraw/zinc/73/01/06/622730106.db2.gz NZLLWWIZDLWDCU-OAHLLOKOSA-N 2 0 294.487 2.628 20 30 CFEDRP CCC[NH+]1CCN(c2ccccc2C=[NH+]OCC)CC1 ZINC000915958066 624192120 /nfs/dbraw/zinc/19/21/20/624192120.db2.gz KTMLHESMJSYQSP-UHFFFAOYSA-N 2 0 275.396 2.589 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH2+]CC1CC[NH+](C)CC1 ZINC000921688777 626086518 /nfs/dbraw/zinc/08/65/18/626086518.db2.gz FZCYPCYWAQKEHE-UHFFFAOYSA-N 2 0 271.408 2.607 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000922181425 626232901 /nfs/dbraw/zinc/23/29/01/626232901.db2.gz QMLFFIBBMCXXGG-INIZCTEOSA-N 2 0 285.435 2.997 20 30 CFEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000923424631 626471822 /nfs/dbraw/zinc/47/18/22/626471822.db2.gz HKLFKEJEZYPWKK-RYQLBKOJSA-N 2 0 294.483 2.933 20 30 CFEDRP C#Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000809582602 626541069 /nfs/dbraw/zinc/54/10/69/626541069.db2.gz ZELIBPCRGINTIY-YJBOKZPZSA-N 2 0 270.420 2.973 20 30 CFEDRP C#C[C@H](C)[NH+](C)Cc1ccccc1C[N@@H+](C)[C@@H](C)C#C ZINC000769962098 627492107 /nfs/dbraw/zinc/49/21/07/627492107.db2.gz XNZRPVPCROMDMK-HOTGVXAUSA-N 2 0 268.404 2.594 20 30 CFEDRP COc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)cc1C#N ZINC000835060945 629363066 /nfs/dbraw/zinc/36/30/66/629363066.db2.gz DWXJZLSTMGWMFS-UHFFFAOYSA-N 2 0 287.407 2.531 20 30 CFEDRP C[C@H]([NH2+]CCCCCC[NH3+])c1ccc(OCC#N)cc1 ZINC000843340616 631931569 /nfs/dbraw/zinc/93/15/69/631931569.db2.gz CIBUOGUCXYKMIS-AWEZNQCLSA-N 2 0 275.396 2.759 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCCCCC[NH3+])cc1 ZINC000843342942 631932178 /nfs/dbraw/zinc/93/21/78/631932178.db2.gz VNPAKRFCPDHSJD-OAHLLOKOSA-N 2 0 274.408 2.868 20 30 CFEDRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(OCC#N)cc1 ZINC000844924916 632338597 /nfs/dbraw/zinc/33/85/97/632338597.db2.gz NJHFYTVTRAQODN-CQSZACIVSA-N 2 0 287.407 2.629 20 30 CFEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000817916999 632733631 /nfs/dbraw/zinc/73/36/31/632733631.db2.gz CKPYLUNIHOIHLG-GOEBONIOSA-N 2 0 289.423 2.975 20 30 CFEDRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(OCC#N)cc1 ZINC000817919569 632734548 /nfs/dbraw/zinc/73/45/48/632734548.db2.gz TXMCQIKUDUQJGH-OFQRWUPVSA-N 2 0 287.407 2.628 20 30 CFEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)CC2 ZINC000817948269 632749118 /nfs/dbraw/zinc/74/91/18/632749118.db2.gz IAFBGCUALIIGQR-IBGZPJMESA-N 2 0 291.398 2.837 20 30 CFEDRP CC1(C#N)CCC([NH2+]Cc2ccc(CC[NH3+])cc2)CC1 ZINC000817948173 632749150 /nfs/dbraw/zinc/74/91/50/632749150.db2.gz FUURLNMWOAMODX-UHFFFAOYSA-N 2 0 271.408 2.750 20 30 CFEDRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc(OCC#N)cc1 ZINC000817960829 632758928 /nfs/dbraw/zinc/75/89/28/632758928.db2.gz SAQYUXWDIYVWLK-QRTARXTBSA-N 2 0 287.407 2.757 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000848558127 633288694 /nfs/dbraw/zinc/28/86/94/633288694.db2.gz NOEAYALBJGVTIO-INMHGKMJSA-N 2 0 286.419 2.689 20 30 CFEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000848720592 633324158 /nfs/dbraw/zinc/32/41/58/633324158.db2.gz ZUAKOBFBVQWOGH-BZUAXINKSA-N 2 0 287.407 2.727 20 30 CFEDRP C=C(C)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856591324 635834784 /nfs/dbraw/zinc/83/47/84/635834784.db2.gz MQSMPMYONWPVSQ-QGZVFWFLSA-N 2 0 289.423 2.563 20 30 CFEDRP C#CCOc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000858246049 636163088 /nfs/dbraw/zinc/16/30/88/636163088.db2.gz SDWRAPOHWYIXGR-QGZVFWFLSA-N 2 0 286.419 2.520 20 30 CFEDRP C[C@H](CCC#N)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211867 636505751 /nfs/dbraw/zinc/50/57/51/636505751.db2.gz BLGAKHOWFZVBKA-CQSZACIVSA-N 2 0 259.397 2.872 20 30 CFEDRP C=CCC[C@H](O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214883 636508298 /nfs/dbraw/zinc/50/82/98/636508298.db2.gz QICXLYZFZYARQY-KRWDZBQOSA-N 2 0 276.424 2.507 20 30 CFEDRP C[N@H+](CCCCCC[NH3+])CCc1cccc(C#N)c1 ZINC000866698561 638866971 /nfs/dbraw/zinc/86/69/71/638866971.db2.gz YCULEIRPRWZZMU-UHFFFAOYSA-N 2 0 259.397 2.552 20 30 CFEDRP CCCCCCC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000122520935 639181991 /nfs/dbraw/zinc/18/19/91/639181991.db2.gz LKLKGRLZRGVOLM-UHFFFAOYSA-N 2 0 256.434 2.787 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000873260519 642105390 /nfs/dbraw/zinc/10/53/90/642105390.db2.gz CHIZYKSOHPCZKZ-NOVWEMISSA-N 2 0 281.403 2.666 20 30 CFEDRP C#CCCCCCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000876597199 642939813 /nfs/dbraw/zinc/93/98/13/642939813.db2.gz MRSXISWIPDOEPJ-INIZCTEOSA-N 2 0 250.430 2.844 20 30 CFEDRP C[C@H](CCC#N)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000876949081 643076189 /nfs/dbraw/zinc/07/61/89/643076189.db2.gz RQKKTYYTTQWPSN-CYBMUJFWSA-N 2 0 251.418 2.779 20 30 CFEDRP C[C@@H](CCC#N)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000877684800 643453752 /nfs/dbraw/zinc/45/37/52/643453752.db2.gz YMVQIGXFLZTLJH-HNNXBMFYSA-N 2 0 263.429 2.734 20 30 CFEDRP C[NH+]1CCC(C[NH2+][C@H]2CC[C@H](C#N)C2)(c2ccccc2)CC1 ZINC000877718658 643482281 /nfs/dbraw/zinc/48/22/81/643482281.db2.gz OGLSIQGZMVXJKY-WMZOPIPTSA-N 2 0 297.446 2.932 20 30 CFEDRP C=CC[C@H](C(=O)OC)[NH+]1CCC(C[N@@H+](C)CCCC)CC1 ZINC000877977457 643675923 /nfs/dbraw/zinc/67/59/23/643675923.db2.gz XKYSJBAATCYUSI-MRXNPFEDSA-N 2 0 296.455 2.548 20 30 CFEDRP C[N@@H+](CCc1cccc(C#N)c1)CC[C@H]1CCC[NH+]1C ZINC000879432476 644269372 /nfs/dbraw/zinc/26/93/72/644269372.db2.gz AVIAJWPYHGKAGR-QGZVFWFLSA-N 2 0 271.408 2.517 20 30 CFEDRP CC[C@H](C)c1ccc(NC(=[NH2+])NCCC[NH+](C)C)cc1 ZINC000303696064 650998444 /nfs/dbraw/zinc/99/84/44/650998444.db2.gz DWADJFYHJYDRFA-ZDUSSCGKSA-N 2 0 276.428 2.878 20 30 CFEDRP CCCC[C@@H](CC)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000303713799 650999361 /nfs/dbraw/zinc/99/93/61/650999361.db2.gz QYUOVLZLPMYSQD-CABCVRRESA-N 2 0 282.476 2.591 20 30 CFEDRP CCCC[C@H](CC)CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000303713803 650999511 /nfs/dbraw/zinc/99/95/11/650999511.db2.gz QYUOVLZLPMYSQD-LSDHHAIUSA-N 2 0 282.476 2.591 20 30 CFEDRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=[NH2+])NC2CCCCC2)C1 ZINC000303881155 651005734 /nfs/dbraw/zinc/00/57/34/651005734.db2.gz HMNXVUAPDSYNDU-GJZGRUSLSA-N 2 0 294.487 2.591 20 30 CFEDRP C[C@@H]1CCCN(C(=[NH2+])NC[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000303891230 651006351 /nfs/dbraw/zinc/00/63/51/651006351.db2.gz QLTDWLZAANIARV-UXLLHSPISA-N 2 0 294.487 2.544 20 30 CFEDRP CCCCCCCCNC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000303911204 651008814 /nfs/dbraw/zinc/00/88/14/651008814.db2.gz ZIGQJMNEMGGAEU-OAHLLOKOSA-N 2 0 294.487 2.736 20 30 CFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCC(C)(C)C ZINC000303983898 651011170 /nfs/dbraw/zinc/01/11/70/651011170.db2.gz RNSMXLNZIKDZRF-AWEZNQCLSA-N 2 0 282.476 2.591 20 30 CFEDRP C=CCC[C@H]([NH2+]CCC[NH+]1CCCCC1)[C@@H]1CCCO1 ZINC000883167275 645635141 /nfs/dbraw/zinc/63/51/41/645635141.db2.gz UJVRXWGOWWMBKP-IRXDYDNUSA-N 2 0 280.456 2.966 20 30 CFEDRP C=CCC[C@H]([NH2+]C1CC[NH+](CCC)CC1)[C@H]1CCCO1 ZINC000883166778 645635647 /nfs/dbraw/zinc/63/56/47/645635647.db2.gz IRECEJUGRVABCZ-DLBZAZTESA-N 2 0 280.456 2.964 20 30 CFEDRP CCCCCCCCNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)C1 ZINC000304739628 651031043 /nfs/dbraw/zinc/03/10/43/651031043.db2.gz BIQXZOAYHHPKCO-HNNXBMFYSA-N 2 0 282.476 2.593 20 30 CFEDRP C=CCC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1CCCO1 ZINC000883195146 645655643 /nfs/dbraw/zinc/65/56/43/645655643.db2.gz LRWZCXLOXVKQNQ-QZWWFDLISA-N 2 0 280.456 2.963 20 30 CFEDRP C[C@H]1CCCN(C(=[NH2+])NCCCCC[NH+]2CCCCC2)C1 ZINC000304761863 651033395 /nfs/dbraw/zinc/03/33/95/651033395.db2.gz VAGYRDUOMVRJGK-INIZCTEOSA-N 2 0 294.487 2.689 20 30 CFEDRP C=CCC[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883290338 645723541 /nfs/dbraw/zinc/72/35/41/645723541.db2.gz RKRAVJVJUMTJKK-MRXNPFEDSA-N 2 0 287.451 2.883 20 30 CFEDRP C[C@@H](CC(C)(C)C#N)[NH2+]CCC[NH+]1CCCCC1 ZINC000924579404 647999388 /nfs/dbraw/zinc/99/93/88/647999388.db2.gz WSGMZVSTKOAOKC-AWEZNQCLSA-N 2 0 251.418 2.780 20 30 CFEDRP C=C(C)COCC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925618861 648242642 /nfs/dbraw/zinc/24/26/42/648242642.db2.gz KBJQBNDBNKOYOJ-MRXNPFEDSA-N 2 0 262.397 2.649 20 30 CFEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925619486 648242991 /nfs/dbraw/zinc/24/29/91/648242991.db2.gz OBEAHJWHQNWVTR-PVAVHDDUSA-N 2 0 299.418 2.727 20 30 CFEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925654238 648263661 /nfs/dbraw/zinc/26/36/61/648263661.db2.gz FFTGCQFJPZFKCI-TVFCKZIOSA-N 2 0 292.467 2.726 20 30 CFEDRP C=CC(C)(C)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925683263 648278463 /nfs/dbraw/zinc/27/84/63/648278463.db2.gz NLISUSHJHXSELW-CABCVRRESA-N 2 0 250.430 2.957 20 30 CFEDRP C[C@@H](CC(C)(C)C#N)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926305684 648458885 /nfs/dbraw/zinc/45/88/85/648458885.db2.gz CEUGTLGUUUHZHU-ZDUSSCGKSA-N 2 0 263.429 2.779 20 30 CFEDRP C=CCC[C@H](CO)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926545103 648526697 /nfs/dbraw/zinc/52/66/97/648526697.db2.gz HZXNCWJBPMKIJE-RHSMWYFYSA-N 2 0 276.424 2.726 20 30 CFEDRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000926602454 648549732 /nfs/dbraw/zinc/54/97/32/648549732.db2.gz LJUJNBKBLRASHK-GKMDZDJDSA-N 2 0 295.430 2.865 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000929283539 649022594 /nfs/dbraw/zinc/02/25/94/649022594.db2.gz SGFKDDAXKHVXQK-UHFFFAOYSA-N 2 0 285.435 2.949 20 30 CFEDRP C[NH+](C)CC1CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000929283083 649022703 /nfs/dbraw/zinc/02/27/03/649022703.db2.gz MIJRICRWBUWQBZ-UHFFFAOYSA-N 2 0 263.429 2.590 20 30 CFEDRP CC[NH+](CC)C[C@H]1CC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000929749132 649110753 /nfs/dbraw/zinc/11/07/53/649110753.db2.gz OGRAIRMIDUWPBX-OFLPRAFFSA-N 2 0 277.456 2.980 20 30 CFEDRP CC[NH+](CC)C[C@@H]1CC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000929749129 649111016 /nfs/dbraw/zinc/11/10/16/649111016.db2.gz OGRAIRMIDUWPBX-JCYILVPMSA-N 2 0 277.456 2.980 20 30 CFEDRP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931439569 649427981 /nfs/dbraw/zinc/42/79/81/649427981.db2.gz OWHDUKLLFWGRRO-RRQGHBQHSA-N 2 0 269.392 2.503 20 30 CFEDRP C#CCC1([NH2+]C/C=C\C[NH2+]C2(CC#C)CCC2)CCC1 ZINC000933295436 649685837 /nfs/dbraw/zinc/68/58/37/649685837.db2.gz UBDUVAIQESRJKK-WAYWQWQTSA-N 2 0 270.420 2.614 20 30 CFEDRP C[N@H+](CCNC(=[NH2+])NC1CCCCCC1)C1CCCCC1 ZINC000305742803 651073946 /nfs/dbraw/zinc/07/39/46/651073946.db2.gz IMVDPAUQXCPMGJ-UHFFFAOYSA-N 2 0 294.487 2.878 20 30 CFEDRP CC(C)C[C@H](CNC(=[NH2+])NC1CCCCCC1)[NH+](C)C ZINC000305749838 651074543 /nfs/dbraw/zinc/07/45/43/651074543.db2.gz YAVOLVQQGABHRV-OAHLLOKOSA-N 2 0 282.476 2.590 20 30 CFEDRP C#CCN(C)CCC[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000328131256 775729679 /nfs/dbraw/zinc/72/96/79/775729679.db2.gz WOKRIXJTQOPILT-UHFFFAOYSA-N 2 0 296.414 2.893 20 30 CFEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(-n2ccc(CC[NH3+])n2)cc1 ZINC001167732245 775861319 /nfs/dbraw/zinc/86/13/19/775861319.db2.gz TYQITLIPZAHHIH-SFHVURJKSA-N 2 0 296.418 2.696 20 30 CFEDRP C#C[C@H]1CCC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC001167837182 776587444 /nfs/dbraw/zinc/58/74/44/776587444.db2.gz JANFTSOJNBAZLI-HOTGVXAUSA-N 2 0 250.430 2.842 20 30 CFEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001235032437 778361170 /nfs/dbraw/zinc/36/11/70/778361170.db2.gz POCLZGGDEWYJJB-SJORKVTESA-N 2 0 260.425 2.974 20 30 CFEDRP C[NH+](C)C1CCC([NH2+]CCc2ccc(C#N)cc2)CC1 ZINC001168298049 778412803 /nfs/dbraw/zinc/41/28/03/778412803.db2.gz ZJPKQCMWYIMLEG-UHFFFAOYSA-N 2 0 271.408 2.563 20 30 CFEDRP C#Cc1cccc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c1 ZINC001235706784 778543223 /nfs/dbraw/zinc/54/32/23/778543223.db2.gz XYKBMYUGEQWKDY-UHFFFAOYSA-N 2 0 282.431 2.880 20 30 CFEDRP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1Cl ZINC001236322141 778779660 /nfs/dbraw/zinc/77/96/60/778779660.db2.gz QXNMEFXIGIRJQT-GASCZTMLSA-N 2 0 289.810 2.643 20 30 CFEDRP CCc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)ccc1C#N ZINC001238775168 779389831 /nfs/dbraw/zinc/38/98/31/779389831.db2.gz OSZNJEPZWFDBIX-UHFFFAOYSA-N 2 0 285.435 2.894 20 30 CFEDRP N#Cc1cc(-c2cccc3c2CC[C@H]3[NH3+])cc(C2C[NH2+]C2)c1 ZINC001240355674 780108034 /nfs/dbraw/zinc/10/80/34/780108034.db2.gz KJWRNMOVGYKECL-LJQANCHMSA-N 2 0 289.382 2.858 20 30 CFEDRP N#Cc1cc(-c2cccn3c[nH+]cc23)cc(C2C[NH2+]C2)c1 ZINC001240360715 780113678 /nfs/dbraw/zinc/11/36/78/780113678.db2.gz LYRRJYNABORPEG-UHFFFAOYSA-N 2 0 274.327 2.560 20 30 CFEDRP CCC[NH+]1CCC(NCc2ccc(C)c(C#N)c2)CC1 ZINC000701824992 780842982 /nfs/dbraw/zinc/84/29/82/780842982.db2.gz BXWUCYREIBDUQV-UHFFFAOYSA-N 2 0 271.408 2.831 20 30 CFEDRP N#Cc1ncccc1-c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC001242312096 781388441 /nfs/dbraw/zinc/38/84/41/781388441.db2.gz RVIHXEMBPBSJHF-UHFFFAOYSA-N 2 0 292.386 2.543 20 30 CFEDRP C[C@H]1C[C@@H](C[NH2+]C2(c3ccc(C#N)cc3)CCC2)CC[NH2+]1 ZINC000594581080 349451047 /nfs/dbraw/zinc/45/10/47/349451047.db2.gz LYXACNWECNXKSC-HOCLYGCPSA-N 2 0 283.419 2.915 20 30 CFEDRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594584664 349451504 /nfs/dbraw/zinc/45/15/04/349451504.db2.gz ADWYLSQEQZBGAO-OLZOCXBDSA-N 2 0 257.381 2.653 20 30 CFEDRP N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000594584542 349451883 /nfs/dbraw/zinc/45/18/83/349451883.db2.gz UWNRTLDLVICFDZ-OLZOCXBDSA-N 2 0 263.772 2.571 20 30 CFEDRP N#Cc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000594736808 349484942 /nfs/dbraw/zinc/48/49/42/349484942.db2.gz VWGYJDAPSJCJNV-GOSISDBHSA-N 2 0 283.419 2.770 20 30 CFEDRP C=CCCSCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000595058315 349569369 /nfs/dbraw/zinc/56/93/69/349569369.db2.gz HHTSMWDVSIQKSZ-ZIAGYGMSSA-N 2 0 256.459 2.616 20 30 CFEDRP CN(Cc1ccc(C#N)cc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000595892781 349762702 /nfs/dbraw/zinc/76/27/02/349762702.db2.gz NJOLVYQUXFENRJ-UHFFFAOYSA-N 2 0 297.324 2.761 20 30 CFEDRP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000596652073 349968635 /nfs/dbraw/zinc/96/86/35/349968635.db2.gz GDZBJZYDHYMBAH-CVEARBPZSA-N 2 0 257.381 2.509 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000268989879 348328951 /nfs/dbraw/zinc/32/89/51/348328951.db2.gz JNAJUHXUMKQKFO-CABCVRRESA-N 2 0 274.408 2.689 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)[C@@H]2CCC[C@H]21 ZINC000586789983 348752792 /nfs/dbraw/zinc/75/27/92/348752792.db2.gz WJMKHVCHIHXQTQ-BHYGNILZSA-N 2 0 287.382 2.660 20 30 CFEDRP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc(C#N)c1 ZINC000591582310 349033050 /nfs/dbraw/zinc/03/30/50/349033050.db2.gz FZFPRMNHPGHLKY-CZUORRHYSA-N 2 0 269.392 2.884 20 30 CFEDRP C[N@@H+]1C[C@@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000592401964 349116829 /nfs/dbraw/zinc/11/68/29/349116829.db2.gz FLSNTYLQBKHCOK-BGTYHANMSA-N 2 0 283.419 2.614 20 30 CFEDRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000599068687 350369839 /nfs/dbraw/zinc/36/98/39/350369839.db2.gz CGVOCBMDJWFANB-QAPCUYQASA-N 2 0 283.419 2.867 20 30 CFEDRP Cc1ccc(CN2CCC([NH2+]CC3CC3)CC2)cc1C#N ZINC000600699760 350597566 /nfs/dbraw/zinc/59/75/66/350597566.db2.gz CYGJFYPGVCQSSV-UHFFFAOYSA-N 2 0 283.419 2.831 20 30 CFEDRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1C#N ZINC000600709975 350598988 /nfs/dbraw/zinc/59/89/88/350598988.db2.gz MKIXLSMBQVAIOX-SJORKVTESA-N 2 0 283.419 2.688 20 30 CFEDRP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1C#N ZINC000600710019 350599288 /nfs/dbraw/zinc/59/92/88/350599288.db2.gz MSRYAIXHVHSBGP-ZQIUZPCESA-N 2 0 271.408 2.672 20 30 CFEDRP Cc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1C#N ZINC000600708791 350599395 /nfs/dbraw/zinc/59/93/95/350599395.db2.gz GGNKVXBLMDJCNA-WMLDXEAASA-N 2 0 271.408 2.816 20 30 CFEDRP N#C[C@@H]1CCC[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000602020035 350833991 /nfs/dbraw/zinc/83/39/91/350833991.db2.gz IHEZAABELGFVAL-CJNGLKHVSA-N 2 0 269.392 2.504 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)CC2 ZINC000602022236 350834115 /nfs/dbraw/zinc/83/41/15/350834115.db2.gz SBKRIQXXZFJOLT-SRCQZFHVSA-N 2 0 269.392 2.653 20 30 CFEDRP C[C@H](CCC#N)C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000602512436 350911573 /nfs/dbraw/zinc/91/15/73/350911573.db2.gz BEYJXCVFYUJDTK-PMPSAXMXSA-N 2 0 265.445 2.884 20 30 CFEDRP C[C@H](C[NH2+]C[C@@H](C)CCC#N)C[NH+]1CCCCC1 ZINC000602518781 350913222 /nfs/dbraw/zinc/91/32/22/350913222.db2.gz RWJLUZSCGHTIHW-LSDHHAIUSA-N 2 0 251.418 2.638 20 30 CFEDRP C[C@H](CCC#N)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000602564760 350927066 /nfs/dbraw/zinc/92/70/66/350927066.db2.gz CNRICXXLJJKZTG-CQSZACIVSA-N 2 0 263.429 2.923 20 30 CFEDRP C[C@H](CCC#N)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000602583192 350934325 /nfs/dbraw/zinc/93/43/25/350934325.db2.gz RKGNUMYIZRBOTJ-WLYUNCDWSA-N 2 0 251.418 2.636 20 30 CFEDRP N#CC1CCC([NH2+]C[C@H]2CCN2C2CCCC2)CC1 ZINC000602726899 351002033 /nfs/dbraw/zinc/00/20/33/351002033.db2.gz RFRMPXHFUPLJCH-ZBCRRDGASA-N 2 0 261.413 2.675 20 30 CFEDRP C[N@H+](CCCCC#N)CCCC[NH+]1CCCCC1 ZINC000603111575 351105828 /nfs/dbraw/zinc/10/58/28/351105828.db2.gz RUKSUPXMOUHYCF-UHFFFAOYSA-N 2 0 251.418 2.878 20 30 CFEDRP C[N@H+](CCCC[NH+]1CCCCC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000603119804 351106722 /nfs/dbraw/zinc/10/67/22/351106722.db2.gz LSCHMEXARNHTJP-HZPDHXFCSA-N 2 0 263.429 2.877 20 30 CFEDRP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000614403663 352090407 /nfs/dbraw/zinc/09/04/07/352090407.db2.gz OXFVEFJFPJJXOO-MRXNPFEDSA-N 2 0 280.375 2.969 20 30 CFEDRP C#CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000271600529 191234746 /nfs/dbraw/zinc/23/47/46/191234746.db2.gz ZMZNYSRPBVZGDY-BZSNNMDCSA-N 2 0 268.404 2.967 20 30 CFEDRP CC(C)(C#N)CCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000618285168 352748301 /nfs/dbraw/zinc/74/83/01/352748301.db2.gz JYGBECRKUAOMEL-UHFFFAOYSA-N 2 0 286.423 2.924 20 30 CFEDRP CC(C)[NH2+][C@H]1CCCN(CCCC2(C#N)CCOCC2)C1 ZINC000619621277 353041107 /nfs/dbraw/zinc/04/11/07/353041107.db2.gz JCXCELTXWUHMRV-INIZCTEOSA-N 2 0 293.455 2.549 20 30 CFEDRP N#C[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000336253289 283065381 /nfs/dbraw/zinc/06/53/81/283065381.db2.gz AQACOLPNGBDMHN-ZFWWWQNUSA-N 2 0 261.413 2.675 20 30 CFEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423248987 283192245 /nfs/dbraw/zinc/19/22/45/283192245.db2.gz OBPZRUGNRZRNQJ-KBXCAEBGSA-N 2 0 283.419 2.915 20 30 CFEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CC2 ZINC000423436867 283197503 /nfs/dbraw/zinc/19/75/03/283197503.db2.gz LYFAAUPCMAEPQU-OKZBNKHCSA-N 2 0 281.403 2.523 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])CC2 ZINC000423281682 283198850 /nfs/dbraw/zinc/19/88/50/283198850.db2.gz UJGMUKAYVUFBGV-USXIJHARSA-N 2 0 269.392 2.653 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000423468117 283198932 /nfs/dbraw/zinc/19/89/32/283198932.db2.gz JIGRLMDRYCYOQE-YSVLISHTSA-N 2 0 269.392 2.653 20 30 CFEDRP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc(C#N)s2)c1 ZINC000176944892 189015968 /nfs/dbraw/zinc/01/59/68/189015968.db2.gz DFULVELWKDGPIQ-UHFFFAOYSA-N 2 0 285.416 2.971 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000414907570 540830646 /nfs/dbraw/zinc/83/06/46/540830646.db2.gz AORWJDIPTNNUTN-HUUCEWRRSA-N 2 0 290.407 2.620 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(C#N)cc1 ZINC000401169389 299395022 /nfs/dbraw/zinc/39/50/22/299395022.db2.gz WELUMUBUMLEJPA-NKKGCODLSA-N 2 0 269.392 2.597 20 30 CFEDRP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(OCC#N)cc1 ZINC000049554007 373310462 /nfs/dbraw/zinc/31/04/62/373310462.db2.gz OMQVPYZQZKGGJD-UONOGXRCSA-N 2 0 275.396 2.580 20 30 CFEDRP Cc1nccn1CCCNC(=[NH2+])N[C@@H](C)CCCC(C)C ZINC000264076447 383693940 /nfs/dbraw/zinc/69/39/40/383693940.db2.gz FXFUEPIRYRLRNL-AWEZNQCLSA-N 2 0 293.459 2.701 20 30 CFEDRP CC[NH+](CC)CCCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000264145896 383700736 /nfs/dbraw/zinc/70/07/36/383700736.db2.gz XSYFRXQGDNTUCY-UHFFFAOYSA-N 2 0 288.439 2.634 20 30 CFEDRP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000093489861 375254225 /nfs/dbraw/zinc/25/42/25/375254225.db2.gz RWJRQPVYEFMGBV-OKZBNKHCSA-N 2 0 283.419 2.959 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH+](C)CC(C)(C)CCC#N)[C@H](C)C1 ZINC000093639847 375276291 /nfs/dbraw/zinc/27/62/91/375276291.db2.gz SPQGKZHZQYRXSD-CABCVRRESA-N 2 0 265.445 2.978 20 30 CFEDRP C=CCC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)C1CC1 ZINC000120068389 376541240 /nfs/dbraw/zinc/54/12/40/376541240.db2.gz OBZNMDSMKNOWIQ-MSOLQXFVSA-N 2 0 293.499 2.593 20 30 CFEDRP CC1CCN(C(=[NH2+])NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000122477931 376929512 /nfs/dbraw/zinc/92/95/12/376929512.db2.gz ZNHFWZUUEHLWMX-MRXNPFEDSA-N 2 0 294.487 2.545 20 30 CFEDRP COc1ccc(C[N@H+](C)CCCn2ccnc2C)cc1C#N ZINC000130566116 377577169 /nfs/dbraw/zinc/57/71/69/377577169.db2.gz XKPXECSZZPCTDY-UHFFFAOYSA-N 2 0 298.390 2.594 20 30 CFEDRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000135166789 378094463 /nfs/dbraw/zinc/09/44/63/378094463.db2.gz LRTVWVBVQSDQMQ-AWEZNQCLSA-N 2 0 251.418 2.636 20 30 CFEDRP Fc1ccc(C#CCN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000151217457 378308067 /nfs/dbraw/zinc/30/80/67/378308067.db2.gz VYHFTZNUQLJUGE-QGZVFWFLSA-N 2 0 286.394 2.595 20 30 CFEDRP C#CCOc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000174599920 379916204 /nfs/dbraw/zinc/91/62/04/379916204.db2.gz OUBBGYMIXVDJDL-AYHJJNSGSA-N 2 0 298.430 2.804 20 30 CFEDRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(C#N)cc1F ZINC000358592910 380955621 /nfs/dbraw/zinc/95/56/21/380955621.db2.gz QYXKWSIAINQOQQ-LBPRGKRZSA-N 2 0 275.371 2.690 20 30 CFEDRP C=CCC[C@@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290511377 381457413 /nfs/dbraw/zinc/45/74/13/381457413.db2.gz YOSDKNXWUDRNDN-OAHLLOKOSA-N 2 0 291.439 2.856 20 30 CFEDRP C=CCCC[C@H](C)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361532583 381839976 /nfs/dbraw/zinc/83/99/76/381839976.db2.gz YFCBYGUYIWUIFI-HNNXBMFYSA-N 2 0 289.423 2.957 20 30 CFEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343992064 382053680 /nfs/dbraw/zinc/05/36/80/382053680.db2.gz RBSZMLHZBSYZCP-HUUCEWRRSA-N 2 0 291.439 2.712 20 30 CFEDRP C[N@H+]1CC=C(C[NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000345172329 382290408 /nfs/dbraw/zinc/29/04/08/382290408.db2.gz WMUKGLIXRNPADK-UHFFFAOYSA-N 2 0 299.418 2.721 20 30 CFEDRP C=CC[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1F ZINC000420303499 382353441 /nfs/dbraw/zinc/35/34/41/382353441.db2.gz KLVNAQTWFHZQBA-AWEZNQCLSA-N 2 0 262.372 2.813 20 30 CFEDRP C=CCC[C@H](CO)[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000320646657 382538620 /nfs/dbraw/zinc/53/86/20/382538620.db2.gz OCIMNWXFBQOGFJ-CGTJXYLNSA-N 2 0 288.435 2.566 20 30 CFEDRP C=CCC[C@H](CO)[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000320647570 382538905 /nfs/dbraw/zinc/53/89/05/382538905.db2.gz OKBHIXBFVHBBJX-QZTJIDSGSA-N 2 0 288.435 2.568 20 30 CFEDRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)ccc1C#N ZINC000353611986 382577112 /nfs/dbraw/zinc/57/71/12/382577112.db2.gz PUWXGGWYRBWERV-ZACQAIPSSA-N 2 0 299.418 2.529 20 30 CFEDRP C=CCC[C@@H](O)C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367309825 382563995 /nfs/dbraw/zinc/56/39/95/382563995.db2.gz KZRYUPLAYUZUMN-DOTOQJQBSA-N 2 0 292.467 2.510 20 30 CFEDRP C=CCN(Cc1ccc(OC)cc1)C[C@H]1CCC[NH2+]C1 ZINC000346840958 382538095 /nfs/dbraw/zinc/53/80/95/382538095.db2.gz GMPSPFKMLCKVPM-INIZCTEOSA-N 2 0 274.408 2.683 20 30 CFEDRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(C#N)cc1F ZINC000387310119 382597164 /nfs/dbraw/zinc/59/71/64/382597164.db2.gz KZEOVOPNUDZYMR-UHFFFAOYSA-N 2 0 277.387 2.907 20 30 CFEDRP Cc1nccn1CCN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000336855494 382735694 /nfs/dbraw/zinc/73/56/94/382735694.db2.gz IGDBCBPSYASFGT-MSOLQXFVSA-N 2 0 294.402 2.963 20 30 CFEDRP C[N@H+](CCC[NH+]1CCCC1)CCCC1(C#N)CCOCC1 ZINC000337235694 382782591 /nfs/dbraw/zinc/78/25/91/382782591.db2.gz XSCXQBVGUHQXIB-UHFFFAOYSA-N 2 0 293.455 2.505 20 30 CFEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000442708663 382947214 /nfs/dbraw/zinc/94/72/14/382947214.db2.gz KIDNNNFUIXOUNW-PMPSAXMXSA-N 2 0 263.429 2.780 20 30 CFEDRP CC[N@@H+]1CC[C@@H]([NH2+]CC2CCC(C#N)CC2)[C@H](C)C1 ZINC000442865351 382962069 /nfs/dbraw/zinc/96/20/69/382962069.db2.gz FIQLHYSAQOHWJF-PRLABOORSA-N 2 0 263.429 2.636 20 30 CFEDRP N#Cc1ccc(OCC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422988065 382999128 /nfs/dbraw/zinc/99/91/28/382999128.db2.gz IADBCUAVVHPDRJ-QZTJIDSGSA-N 2 0 293.370 2.671 20 30 CFEDRP CC[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000423357697 383062684 /nfs/dbraw/zinc/06/26/84/383062684.db2.gz SPCPZSQBKGXYRM-INIZCTEOSA-N 2 0 255.365 2.519 20 30 CFEDRP N#CCC1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000516562057 383165189 /nfs/dbraw/zinc/16/51/89/383165189.db2.gz KOFAFMLXMWGRPX-QAPCUYQASA-N 2 0 297.402 2.526 20 30 CFEDRP C=CCC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248576805 383264095 /nfs/dbraw/zinc/26/40/95/383264095.db2.gz NOONBXYZMKKQTC-ZOBUZTSGSA-N 2 0 280.456 2.556 20 30 CFEDRP C=C(CC)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339658483 383277612 /nfs/dbraw/zinc/27/76/12/383277612.db2.gz KYDOJXYWHZGPAE-XYPWUTKMSA-N 2 0 266.429 2.526 20 30 CFEDRP C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449520380 383352881 /nfs/dbraw/zinc/35/28/81/383352881.db2.gz PEEMZMMIMIKOQQ-SPUZQDLCSA-N 2 0 292.467 2.963 20 30 CFEDRP C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000449520844 383352956 /nfs/dbraw/zinc/35/29/56/383352956.db2.gz QQLWIPCETVNJFN-SJORKVTESA-N 2 0 278.440 2.717 20 30 CFEDRP C[C@H](CCC#N)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000428268797 383439531 /nfs/dbraw/zinc/43/95/31/383439531.db2.gz NJWFGRWQRVPKFX-KFWWJZLASA-N 2 0 263.429 2.921 20 30 CFEDRP C=CC[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435697793 383779325 /nfs/dbraw/zinc/77/93/25/383779325.db2.gz ZEMDNRSUJAUPBY-CQSZACIVSA-N 2 0 262.422 2.878 20 30 CFEDRP C[N@H+](CCCC[NH2+]Cc1ccc(C#N)cc1F)C1CC1 ZINC000453592245 383863661 /nfs/dbraw/zinc/86/36/61/383863661.db2.gz DNIHILBPRLILHV-UHFFFAOYSA-N 2 0 275.371 2.661 20 30 CFEDRP C[N@H+](CCCC[NH2+]Cc1cc(C#N)cs1)C1CC1 ZINC000453594334 383865196 /nfs/dbraw/zinc/86/51/96/383865196.db2.gz IBAAMCCLUXSSTB-UHFFFAOYSA-N 2 0 263.410 2.584 20 30 CFEDRP COc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)ccc1C#N ZINC000453597334 383868026 /nfs/dbraw/zinc/86/80/26/383868026.db2.gz NEYHZDHJKNLAND-UHFFFAOYSA-N 2 0 287.407 2.531 20 30 CFEDRP C#Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000289231439 197270242 /nfs/dbraw/zinc/27/02/42/197270242.db2.gz KFSBKEVOZYYROR-QZTJIDSGSA-N 2 0 268.404 2.584 20 30 CFEDRP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000373864314 393476197 /nfs/dbraw/zinc/47/61/97/393476197.db2.gz CHUFOQZIDYECBX-CRAIPNDOSA-N 2 0 292.467 2.964 20 30 CFEDRP C=CCCCCC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373916424 393478055 /nfs/dbraw/zinc/47/80/55/393478055.db2.gz DNTBEXZJDDBEBC-QGZVFWFLSA-N 2 0 293.499 2.833 20 30 CFEDRP CCCCCCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374318184 393492809 /nfs/dbraw/zinc/49/28/09/393492809.db2.gz PQSZCVUYBOMIST-MSOLQXFVSA-N 2 0 295.515 2.915 20 30 CFEDRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(C#N)cc1 ZINC000036991884 393526659 /nfs/dbraw/zinc/52/66/59/393526659.db2.gz HETPISBEMSTPKT-RJCAOGMDSA-N 2 0 269.392 2.834 20 30 CFEDRP N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000338999071 393809024 /nfs/dbraw/zinc/80/90/24/393809024.db2.gz BCRVKQXMAQOWHJ-BZUAXINKSA-N 2 0 261.413 2.629 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000339085124 393816877 /nfs/dbraw/zinc/81/68/77/393816877.db2.gz PCQVNNMOWNMTRX-XUWVNRHRSA-N 2 0 275.440 2.921 20 30 CFEDRP C[N@H+](CCNC(=[NH2+])Nc1cc(F)ccc1F)C1CCCC1 ZINC000262325237 393954424 /nfs/dbraw/zinc/95/44/24/393954424.db2.gz WWANQEALCBKMFG-UHFFFAOYSA-N 2 0 296.365 2.566 20 30 CFEDRP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371179958 394298757 /nfs/dbraw/zinc/29/87/57/394298757.db2.gz ZQBPJWWLXZZETE-DLBZAZTESA-N 2 0 280.456 2.511 20 30 CFEDRP C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000540705164 394651696 /nfs/dbraw/zinc/65/16/96/394651696.db2.gz BMIOJRTZPRVAQA-QWHCGFSZSA-N 2 0 275.371 2.690 20 30 CFEDRP C=CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1 ZINC000647498119 395361800 /nfs/dbraw/zinc/36/18/00/395361800.db2.gz ATVNINJDWYPDFX-DOTOQJQBSA-N 2 0 274.408 2.811 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647796904 395432907 /nfs/dbraw/zinc/43/29/07/395432907.db2.gz QUUOXGMLUBAZEI-IXDOHACOSA-N 2 0 286.419 2.729 20 30 CFEDRP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000376001299 157314266 /nfs/dbraw/zinc/31/42/66/157314266.db2.gz UHMHAWQXJOKZHB-UHFFFAOYSA-N 2 0 283.419 2.866 20 30 CFEDRP CSC1(C[NH2+]Cc2ccc(C#N)s2)CC[NH+](C)CC1 ZINC000353226838 163322182 /nfs/dbraw/zinc/32/21/82/163322182.db2.gz OLTKNFAGRMCCHJ-UHFFFAOYSA-N 2 0 295.477 2.537 20 30 CFEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000353422490 163363564 /nfs/dbraw/zinc/36/35/64/163363564.db2.gz BWAGAYNBNGFFGH-KDOFPFPSSA-N 2 0 281.403 2.619 20 30 CFEDRP C[NH+](C)C1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000353446776 163367304 /nfs/dbraw/zinc/36/73/04/163367304.db2.gz KVMQOKXLFACCBQ-UHFFFAOYSA-N 2 0 257.381 2.521 20 30 CFEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000657898982 414038184 /nfs/dbraw/zinc/03/81/84/414038184.db2.gz SFRHTWPKXCKVSF-WMZOPIPTSA-N 2 0 293.499 2.737 20 30 CFEDRP C#CCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285688036 196367253 /nfs/dbraw/zinc/36/72/53/196367253.db2.gz VENGKNNGXLDJEG-GOSISDBHSA-N 2 0 268.404 2.608 20 30 CFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000658026450 414110289 /nfs/dbraw/zinc/11/02/89/414110289.db2.gz UOLXHMSDSCPZPQ-ZACQAIPSSA-N 2 0 280.456 2.558 20 30 CFEDRP C#CC[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364351734 262213716 /nfs/dbraw/zinc/21/37/16/262213716.db2.gz HNJRLMFAUJYAPH-LZLYRXPVSA-N 2 0 270.420 2.898 20 30 CFEDRP Cc1ccc(NC(=[NH2+])NC[C@H](C)[N@H+](C)C2CC2)cc1C ZINC000264252712 262885971 /nfs/dbraw/zinc/88/59/71/262885971.db2.gz HOWJEVAQVWCXKG-ZDUSSCGKSA-N 2 0 274.412 2.513 20 30 CFEDRP CCN(CC)C(=[NH2+])NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000267453627 262931722 /nfs/dbraw/zinc/93/17/22/262931722.db2.gz SBYNPRWYUVSGCZ-CQSZACIVSA-N 2 0 290.455 2.772 20 30 CFEDRP C=CCOc1cccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000414857675 263074201 /nfs/dbraw/zinc/07/42/01/263074201.db2.gz PZQXPDJJNSNXDU-GDBMZVCRSA-N 2 0 274.408 2.729 20 30 CFEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000340480538 263167455 /nfs/dbraw/zinc/16/74/55/263167455.db2.gz QSBMPPNABSSJBB-HZPDHXFCSA-N 2 0 263.429 2.924 20 30 CFEDRP C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414984765 263182474 /nfs/dbraw/zinc/18/24/74/263182474.db2.gz AOZKYDOXLABQSL-CVEARBPZSA-N 2 0 274.408 2.859 20 30 CFEDRP C=CCN(CC=C)[C@@H](C[NH2+]CC1=CCCOC1)C(C)C ZINC000126439262 264218215 /nfs/dbraw/zinc/21/82/15/264218215.db2.gz HFZBTXBIZRQDTG-KRWDZBQOSA-N 2 0 278.440 2.621 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]CC2CCC(C#N)CC2)[C@H]2CCC[C@@H]21 ZINC000367614747 267104616 /nfs/dbraw/zinc/10/46/16/267104616.db2.gz IELNFSUXVZNDRM-JWRYVHENSA-N 2 0 275.440 2.779 20 30 CFEDRP CC1(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CC[NH2+]CC1 ZINC000335570484 273594483 /nfs/dbraw/zinc/59/44/83/273594483.db2.gz UXWIUGKQOSXLQC-INIZCTEOSA-N 2 0 269.392 2.525 20 30 CFEDRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000423486374 278258729 /nfs/dbraw/zinc/25/87/29/278258729.db2.gz SLMBXQFIRUVQJR-XJKSGUPXSA-N 2 0 257.381 2.741 20 30 CFEDRP C[C@H](C[NH3+])C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000423311461 279290038 /nfs/dbraw/zinc/29/00/38/279290038.db2.gz TYFOUYINVWNWNR-WBMJQRKESA-N 2 0 257.381 2.510 20 30 CFEDRP C=C(C)CN1CCC([NH2+][C@@H](C)c2ccnc(OC)c2)CC1 ZINC000584387086 329316980 /nfs/dbraw/zinc/31/69/80/329316980.db2.gz FKTCOKDNEPJDKT-AWEZNQCLSA-N 2 0 289.423 2.781 20 30 CFEDRP CC1CC[NH+](CCC[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185760551 329331202 /nfs/dbraw/zinc/33/12/02/329331202.db2.gz GSNQEWZPXAZAIS-HZPDHXFCSA-N 2 0 263.429 2.780 20 30 CFEDRP N#C[C@H]1CC[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000583815918 329482443 /nfs/dbraw/zinc/48/24/43/329482443.db2.gz FEPVXVMYKPRKPB-JKSUJKDBSA-N 2 0 284.407 2.580 20 30 CFEDRP CC1(C)CCC[N@@H+]1CCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000263193259 330048304 /nfs/dbraw/zinc/04/83/04/330048304.db2.gz WAXYYRAJFBQNIB-UHFFFAOYSA-N 2 0 296.365 2.566 20 30 CFEDRP N#CCc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000580432012 330131625 /nfs/dbraw/zinc/13/16/25/330131625.db2.gz KKCKLLYSHZANII-HOTGVXAUSA-N 2 0 257.381 2.502 20 30 CFEDRP C=CCN(CC=C)[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)C(C)C ZINC000422838399 330157174 /nfs/dbraw/zinc/15/71/74/330157174.db2.gz XDEDMJWLVURVII-FGTMMUONSA-N 2 0 293.499 2.663 20 30 CFEDRP C=C(C)CN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422976692 330162193 /nfs/dbraw/zinc/16/21/93/330162193.db2.gz IQPROECMIYQPFC-KZNAEPCWSA-N 2 0 291.483 2.537 20 30 CFEDRP C=CCCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423087784 330169120 /nfs/dbraw/zinc/16/91/20/330169120.db2.gz QJIBPRFJJJGYDB-WBVHZDCISA-N 2 0 272.392 2.798 20 30 CFEDRP N#CC1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000423094195 330169572 /nfs/dbraw/zinc/16/95/72/330169572.db2.gz BAJLGOIHSVMVBK-SWHNLWLKSA-N 2 0 275.440 2.827 20 30 CFEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423102524 330170265 /nfs/dbraw/zinc/17/02/65/330170265.db2.gz WYMXDTRYDIZUMI-YVSFHVDLSA-N 2 0 280.456 2.868 20 30 CFEDRP CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423124466 330171238 /nfs/dbraw/zinc/17/12/38/330171238.db2.gz MLSQBGPDEBYETH-RBSFLKMASA-N 2 0 263.429 2.827 20 30 CFEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000423153176 330173021 /nfs/dbraw/zinc/17/30/21/330173021.db2.gz GHFGGAOSLZESPQ-RKLWJJNISA-N 2 0 255.365 2.803 20 30 CFEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423161884 330173544 /nfs/dbraw/zinc/17/35/44/330173544.db2.gz SQTGAHYFYWYETI-UVPYHEFZSA-N 2 0 261.413 2.579 20 30 CFEDRP C=C(CC)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423167540 330174194 /nfs/dbraw/zinc/17/41/94/330174194.db2.gz XBKVJTUHRAZOON-DOTOQJQBSA-N 2 0 272.392 2.798 20 30 CFEDRP N#C[C@@H]1CCC[C@H](NCC[NH2+]C2CCCCCC2)C1 ZINC000423280223 330185503 /nfs/dbraw/zinc/18/55/03/330185503.db2.gz SMOPKYPXEZRDES-ZBFHGGJFSA-N 2 0 263.429 2.971 20 30 CFEDRP N#CC1(c2ccccc2)CCC([NH2+]C[C@H]([NH3+])C2CC2)CC1 ZINC000423312575 330189548 /nfs/dbraw/zinc/18/95/48/330189548.db2.gz DNUFXSTYKNLDGH-ADKAHSJRSA-N 2 0 283.419 2.717 20 30 CFEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000491768648 332336204 /nfs/dbraw/zinc/33/62/04/332336204.db2.gz IRINGCQHPYTZGX-UHFFFAOYSA-N 2 0 286.423 2.701 20 30 CFEDRP CCC[N@H+](C)C[C@H]1CC[NH+](CCCC(C)(C)C#N)C1 ZINC000081516602 334193749 /nfs/dbraw/zinc/19/37/49/334193749.db2.gz XEXBDUPNHWAIJS-OAHLLOKOSA-N 2 0 265.445 2.980 20 30 CFEDRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423311458 533772488 /nfs/dbraw/zinc/77/24/88/533772488.db2.gz TYFOUYINVWNWNR-BLLLJJGKSA-N 2 0 257.381 2.510 20 30 CFEDRP C=CCOc1ccccc1C[NH2+]C1CCC([NH3+])CC1 ZINC000051694069 519072280 /nfs/dbraw/zinc/07/22/80/519072280.db2.gz SZMMVKWMNDJQDZ-UHFFFAOYSA-N 2 0 260.381 2.611 20 30 CFEDRP CC#CCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352814414 526310485 /nfs/dbraw/zinc/31/04/85/526310485.db2.gz GDONFJOPSJOSDH-LJQANCHMSA-N 2 0 282.431 2.998 20 30 CFEDRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)c(C)c2)C1 ZINC000443959900 535525926 /nfs/dbraw/zinc/52/59/26/535525926.db2.gz FNAUDOXZYMLBFU-INIZCTEOSA-N 2 0 271.408 2.688 20 30 CFEDRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(OCC#N)cc1 ZINC000044533690 618027016 /nfs/dbraw/zinc/02/70/16/618027016.db2.gz LMQAHHYKRSLIOP-LSDHHAIUSA-N 2 0 287.407 2.581 20 30 CFEDRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(OCC#N)cc1 ZINC000044516430 618027073 /nfs/dbraw/zinc/02/70/73/618027073.db2.gz XZLJFJUNHLODOQ-CQSZACIVSA-N 2 0 287.407 2.581 20 30 CFEDRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000925608164 618300820 /nfs/dbraw/zinc/30/08/20/618300820.db2.gz ZVMZIGBEVOXDIB-HUUCEWRRSA-N 2 0 257.381 2.554 20 30 CFEDRP C#CCCC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000178055418 618621353 /nfs/dbraw/zinc/62/13/53/618621353.db2.gz RSWVDMOFKBZLKG-HNNXBMFYSA-N 2 0 274.408 2.691 20 30 CFEDRP CCc1cccc(CC)c1NC(=[NH2+])NCC[NH+]1CCCC1 ZINC000170907783 618729342 /nfs/dbraw/zinc/72/93/42/618729342.db2.gz TXSUKRCWBSHGIA-UHFFFAOYSA-N 2 0 288.439 2.634 20 30 CFEDRP C=CCCC1(C[NH2+][C@H]2[C@@H]3COC[C@H]2C[C@H]([NH3+])C3)CCCC1 ZINC000925703826 618958363 /nfs/dbraw/zinc/95/83/63/618958363.db2.gz FPCBYTKLZLGXPQ-ZYGGUILKSA-N 2 0 292.467 2.855 20 30 CFEDRP CSc1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1C#N ZINC000925771565 619084776 /nfs/dbraw/zinc/08/47/76/619084776.db2.gz CBOWNQZKBRXLKV-UHFFFAOYSA-N 2 0 275.421 2.640 20 30 CFEDRP C[C@H](CCC#N)C[NH2+][C@@H](CCN(C)C)c1cccnc1 ZINC000896724259 619795005 /nfs/dbraw/zinc/79/50/05/619795005.db2.gz VYAXWWBUWKKTAN-ZBFHGGJFSA-N 2 0 274.412 2.604 20 30 CFEDRP C=C1CCC(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000896838512 619837283 /nfs/dbraw/zinc/83/72/83/619837283.db2.gz KYHWTJLRXCKFGW-UHFFFAOYSA-N 2 0 280.456 2.558 20 30 CFEDRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1C#N ZINC000926961460 620432357 /nfs/dbraw/zinc/43/23/57/620432357.db2.gz JJGFDAXYQJQYQZ-KSZLIROESA-N 2 0 283.419 2.829 20 30 CFEDRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000927035538 620444755 /nfs/dbraw/zinc/44/47/55/620444755.db2.gz BEEZTPWVRMGIGF-JWMHWRSXSA-N 2 0 261.413 2.675 20 30 CFEDRP C=CCCSCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902391231 621062718 /nfs/dbraw/zinc/06/27/18/621062718.db2.gz FWSJKDDYEPPABE-ZDUSSCGKSA-N 2 0 256.459 2.664 20 30 CFEDRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cc(C#N)ccn1 ZINC000902734374 621161509 /nfs/dbraw/zinc/16/15/09/621161509.db2.gz UQTDNCOYUNLAEH-AWEZNQCLSA-N 2 0 294.402 2.866 20 30 CFEDRP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000902797444 621180120 /nfs/dbraw/zinc/18/01/20/621180120.db2.gz WDIUZJLVBQPHQU-NVXWUHKLSA-N 2 0 271.408 2.941 20 30 CFEDRP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(C#N)c1 ZINC000903043168 621232765 /nfs/dbraw/zinc/23/27/65/621232765.db2.gz QLTYZJJVGFZHNA-HYVNUMGLSA-N 2 0 271.408 2.939 20 30 CFEDRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cc(C#N)ccn1 ZINC000903059945 621237289 /nfs/dbraw/zinc/23/72/89/621237289.db2.gz XSVJTKAZJWBAFC-CQSZACIVSA-N 2 0 298.434 2.726 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000903423602 621378924 /nfs/dbraw/zinc/37/89/24/621378924.db2.gz YONQXPXXWFMMHE-AWEZNQCLSA-N 2 0 271.408 2.734 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000903453893 621387366 /nfs/dbraw/zinc/38/73/66/621387366.db2.gz ORIZCVIUXZZUHV-MSOLQXFVSA-N 2 0 297.446 2.997 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000903453595 621387458 /nfs/dbraw/zinc/38/74/58/621387458.db2.gz DBWFBRWBQNJZAS-GOSISDBHSA-N 2 0 283.419 2.751 20 30 CFEDRP Cc1cc(C#N)cc(C)c1CN1CC[NH2+]CCC12CCC2 ZINC000903482319 621392478 /nfs/dbraw/zinc/39/24/78/621392478.db2.gz BNLBIHRZTUQCIA-UHFFFAOYSA-N 2 0 283.419 2.893 20 30 CFEDRP CC[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)CC[C@H]1[NH3+] ZINC000903746349 621431690 /nfs/dbraw/zinc/43/16/90/621431690.db2.gz GCEQEUMGIMFQSO-HUUCEWRRSA-N 2 0 263.429 2.910 20 30 CFEDRP N#Cc1ccc(C2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000903824336 621449628 /nfs/dbraw/zinc/44/96/28/621449628.db2.gz PCKXOUFHZJCQBP-MRXNPFEDSA-N 2 0 283.419 2.737 20 30 CFEDRP N#CC1(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCCC1 ZINC000903933260 621477145 /nfs/dbraw/zinc/47/71/45/621477145.db2.gz NJVVJKUTJNULJD-GOOCMWNKSA-N 2 0 261.413 2.581 20 30 CFEDRP C[C@@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1cccc(C#N)c1 ZINC000903950387 621487091 /nfs/dbraw/zinc/48/70/91/621487091.db2.gz MOUAOMDTUSPUEO-NFAWXSAZSA-N 2 0 257.381 2.597 20 30 CFEDRP C=C(C)CNC(NC[C@@H]1CC[N@@H+](CCC)C1)=[NH+]C(C)(C)C ZINC000912499236 622730891 /nfs/dbraw/zinc/73/08/91/622730891.db2.gz NZLLWWIZDLWDCU-HNNXBMFYSA-N 2 0 294.487 2.628 20 30 CFEDRP C#CCN(C)CCC[NH2+]C/C(C)=C\c1ccccc1 ZINC000820846367 622773034 /nfs/dbraw/zinc/77/30/34/622773034.db2.gz FQNOXXHZBQPRTF-PEZBUJJGSA-N 2 0 256.393 2.635 20 30 CFEDRP N#Cc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000063197567 623333047 /nfs/dbraw/zinc/33/30/47/623333047.db2.gz LOUKMMHKTONFDJ-KRWDZBQOSA-N 2 0 269.392 2.522 20 30 CFEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000824988975 623600419 /nfs/dbraw/zinc/60/04/19/623600419.db2.gz WFRZTWOXHZGLPT-LNRIEFBSSA-N 2 0 299.418 2.692 20 30 CFEDRP C#CC[C@H]1CCC[NH+](CCC[N@H+]2CCC[C@H](CC#C)C2)C1 ZINC000829809464 624549892 /nfs/dbraw/zinc/54/98/92/624549892.db2.gz BLANQOIHXFYIHJ-OALUTQOASA-N 2 0 286.463 2.847 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000922283603 626259900 /nfs/dbraw/zinc/25/99/00/626259900.db2.gz FHJKMPJXWIICDD-MRXNPFEDSA-N 2 0 285.435 2.997 20 30 CFEDRP C#Cc1cccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000839127100 626527532 /nfs/dbraw/zinc/52/75/32/626527532.db2.gz GFXVQGSOSGGYBM-UHFFFAOYSA-N 2 0 291.398 2.822 20 30 CFEDRP C#Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000809582601 626541087 /nfs/dbraw/zinc/54/10/87/626541087.db2.gz ZELIBPCRGINTIY-QAPCUYQASA-N 2 0 270.420 2.973 20 30 CFEDRP C#CC[N@H+](Cc1ccc(F)cc1)CC1CC[NH+](C)CC1 ZINC000788476000 629073154 /nfs/dbraw/zinc/07/31/54/629073154.db2.gz LGNOHFXLQKNLJL-UHFFFAOYSA-N 2 0 274.383 2.603 20 30 CFEDRP C=CCCCCC[C@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000793522928 629560854 /nfs/dbraw/zinc/56/08/54/629560854.db2.gz BZEGQCIPBZPKGI-IRXDYDNUSA-N 2 0 281.488 2.737 20 30 CFEDRP C#CCOc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000809766811 631285665 /nfs/dbraw/zinc/28/56/65/631285665.db2.gz BCXJJFCNQNPJGL-HKUYNNGSSA-N 2 0 298.430 2.615 20 30 CFEDRP C[C@@H]([NH2+]CCCCCC[NH3+])c1ccc(C#N)c(F)c1 ZINC000843341574 631932686 /nfs/dbraw/zinc/93/26/86/631932686.db2.gz JNLPZLXUPOAHHG-GFCCVEGCSA-N 2 0 263.360 2.867 20 30 CFEDRP CCCCCCC[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000843389356 631943548 /nfs/dbraw/zinc/94/35/48/631943548.db2.gz PZZBGXHWSRGIRW-OAHLLOKOSA-N 2 0 268.445 2.644 20 30 CFEDRP CCCCCCC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000844334919 632172135 /nfs/dbraw/zinc/17/21/35/632172135.db2.gz LVRQWPZRTJFDQD-UHFFFAOYSA-N 2 0 282.472 2.783 20 30 CFEDRP C#CCOc1ccccc1CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000816642435 632500097 /nfs/dbraw/zinc/50/00/97/632500097.db2.gz ZKHKSTQXTZWBGW-IBGZPJMESA-N 2 0 298.430 2.616 20 30 CFEDRP C#CCOc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000816642047 632500285 /nfs/dbraw/zinc/50/02/85/632500285.db2.gz NSCHFPNIXZFART-IBGZPJMESA-N 2 0 298.430 2.616 20 30 CFEDRP CC[C@@H](C#N)Oc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000817918906 632734460 /nfs/dbraw/zinc/73/44/60/632734460.db2.gz NFHPNDSEZOEGEU-WFVVYAPDSA-N 2 0 299.418 2.740 20 30 CFEDRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OCC#N)cc1 ZINC000817919000 632734657 /nfs/dbraw/zinc/73/46/57/632734657.db2.gz ONYBGZRAKVIWNF-NTQSIJHJSA-N 2 0 285.391 2.523 20 30 CFEDRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000817919345 632734776 /nfs/dbraw/zinc/73/47/76/632734776.db2.gz QORABBQGUHKPCA-ZIAGYGMSSA-N 2 0 275.396 2.757 20 30 CFEDRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)[C@H]1CCC[NH2+]C1 ZINC000817919568 632734810 /nfs/dbraw/zinc/73/48/10/632734810.db2.gz TXMCQIKUDUQJGH-LZWOXQAQSA-N 2 0 287.407 2.628 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(OCC#N)cc1 ZINC000817960830 632758902 /nfs/dbraw/zinc/75/89/02/632758902.db2.gz SAQYUXWDIYVWLK-YSVLISHTSA-N 2 0 287.407 2.757 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000817974924 632773854 /nfs/dbraw/zinc/77/38/54/632773854.db2.gz HSVZEBRTQFYGQS-HUUCEWRRSA-N 2 0 274.408 2.867 20 30 CFEDRP COc1ccc(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)cc1C#N ZINC000848574535 633293829 /nfs/dbraw/zinc/29/38/29/633293829.db2.gz FJPSFJNAOPZELP-IRXDYDNUSA-N 2 0 299.418 2.673 20 30 CFEDRP CNC(NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1)=[NH+]C ZINC000849007690 633457367 /nfs/dbraw/zinc/45/73/67/633457367.db2.gz MKGCHDMFCQBYNP-ZBFHGGJFSA-N 2 0 290.455 2.547 20 30 CFEDRP CCCCCCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000849056569 633481746 /nfs/dbraw/zinc/48/17/46/633481746.db2.gz QXGAZVQWPSGOMY-HNNXBMFYSA-N 2 0 282.476 2.945 20 30 CFEDRP CC(=NNc1cc[nH+]cc1C)c1cccc(C[NH+](C)C)c1 ZINC000863158366 637573141 /nfs/dbraw/zinc/57/31/41/637573141.db2.gz YXUHSXDEGGKPSD-UHFFFAOYSA-N 2 0 282.391 2.710 20 30 CFEDRP C[N@H+](Cc1ccccc1)CC(C)(C)C=Nn1cccn1 ZINC000863164688 637577265 /nfs/dbraw/zinc/57/72/65/637577265.db2.gz SOTXMBTUBWHDMU-UHFFFAOYSA-N 2 0 270.380 2.875 20 30 CFEDRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000866617644 638855655 /nfs/dbraw/zinc/85/56/55/638855655.db2.gz MZABOUKNMCJORJ-SFHVURJKSA-N 2 0 297.446 2.878 20 30 CFEDRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000866706417 638869135 /nfs/dbraw/zinc/86/91/35/638869135.db2.gz ICEIZMWHDAYZAJ-GOSISDBHSA-N 2 0 285.435 2.798 20 30 CFEDRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000873223108 642077089 /nfs/dbraw/zinc/07/70/89/642077089.db2.gz HUUFQCTXCGEMFC-QGZVFWFLSA-N 2 0 271.408 2.755 20 30 CFEDRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000873269004 642111246 /nfs/dbraw/zinc/11/12/46/642111246.db2.gz JRKSTBCYJGZCEJ-VXGBXAGGSA-N 2 0 275.371 2.736 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)C1CC[NH2+]CC1 ZINC000873271890 642113521 /nfs/dbraw/zinc/11/35/21/642113521.db2.gz LLAHBQWDLYMADW-SCLBCKFNSA-N 2 0 283.419 2.913 20 30 CFEDRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000873276529 642115030 /nfs/dbraw/zinc/11/50/30/642115030.db2.gz UVGRBQDVWGVPGH-CCKFTAQKSA-N 2 0 297.446 2.926 20 30 CFEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NCC[NH+]1CCCCC1 ZINC000303780450 651002154 /nfs/dbraw/zinc/00/21/54/651002154.db2.gz LJGKVJKVMIWFTI-OAHLLOKOSA-N 2 0 282.476 2.591 20 30 CFEDRP CC(C)[C@@H](CNC(=[NH2+])N1CCCCC1)[NH+]1CCCCCC1 ZINC000303792020 651002648 /nfs/dbraw/zinc/00/26/48/651002648.db2.gz YCIWCWZDSHYNQF-MRXNPFEDSA-N 2 0 294.487 2.688 20 30 CFEDRP Cc1cc(C)cc(NC(=[NH2+])NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000303911510 651009047 /nfs/dbraw/zinc/00/90/47/651009047.db2.gz ZRCOCAYSZUWWCB-HNNXBMFYSA-N 2 0 288.439 2.904 20 30 CFEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@H](C)[N@H+](C)C1CC1 ZINC000303971977 651010604 /nfs/dbraw/zinc/01/06/04/651010604.db2.gz FGTNCIGYCOACTG-KBPBESRZSA-N 2 0 282.476 2.588 20 30 CFEDRP C=CCC[C@@H]([NH2+]C1CC[NH+](CCC)CC1)[C@H]1CCCO1 ZINC000883166779 645635439 /nfs/dbraw/zinc/63/54/39/645635439.db2.gz IRECEJUGRVABCZ-IAGOWNOFSA-N 2 0 280.456 2.964 20 30 CFEDRP C=CCC[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)[C@@H]1CCCO1 ZINC000883229048 645679340 /nfs/dbraw/zinc/67/93/40/645679340.db2.gz ZMKNCSRSNZIXKL-IRXDYDNUSA-N 2 0 285.391 2.938 20 30 CFEDRP C=CCC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@H]1CCCO1 ZINC000883239086 645686910 /nfs/dbraw/zinc/68/69/10/645686910.db2.gz VWPDAMBKYHTUGR-IXDOHACOSA-N 2 0 280.456 2.822 20 30 CFEDRP C=C(C)C[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000883390151 645788584 /nfs/dbraw/zinc/78/85/84/645788584.db2.gz GRCLQZDFRXUKOM-CGTJXYLNSA-N 2 0 294.483 2.946 20 30 CFEDRP C=CC[C@H](CO)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886561655 647047785 /nfs/dbraw/zinc/04/77/85/647047785.db2.gz FHQVEYAVPOAGCL-GTPINHCMSA-N 2 0 280.456 2.558 20 30 CFEDRP C#C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CCCO1 ZINC000886594180 647058797 /nfs/dbraw/zinc/05/87/97/647058797.db2.gz HMKQATFUKGNXQV-JDEYZFBPSA-N 2 0 290.451 2.554 20 30 CFEDRP N#Cc1ccc(CC[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000886874078 647165156 /nfs/dbraw/zinc/16/51/56/647165156.db2.gz FYSHQUYQAQKSKG-SFHVURJKSA-N 2 0 283.419 2.566 20 30 CFEDRP C#CCCCCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887136197 647225293 /nfs/dbraw/zinc/22/52/93/647225293.db2.gz MKOZFZMNFXLJAH-MRXNPFEDSA-N 2 0 271.408 2.786 20 30 CFEDRP CCN(CC)c1ccc(/C=[NH+]/C[C@H]2CCN2CC)c(O)c1 ZINC000887270528 647256872 /nfs/dbraw/zinc/25/68/72/647256872.db2.gz PCIZSIMOUKKLQB-YAJBTMAUSA-N 2 0 289.423 2.752 20 30 CFEDRP C=CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccncc1 ZINC000925498118 647856553 /nfs/dbraw/zinc/85/65/53/647856553.db2.gz MJXRBENDIRIFLF-ZNMIVQPWSA-N 2 0 257.381 2.558 20 30 CFEDRP C#CCCCC[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925529325 648202073 /nfs/dbraw/zinc/20/20/73/648202073.db2.gz XWGWKDBFTKBNRW-UHFFFAOYSA-N 2 0 250.430 2.890 20 30 CFEDRP C=C(C)COCC[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925533242 648204803 /nfs/dbraw/zinc/20/48/03/648204803.db2.gz ZNTVQYARHLTQGA-UHFFFAOYSA-N 2 0 268.445 2.679 20 30 CFEDRP C=CCC(C)(C)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925678730 648276658 /nfs/dbraw/zinc/27/66/58/648276658.db2.gz WZLDSEZQQOWFLV-RDBSUJKOSA-N 2 0 250.430 2.955 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH+]2CCC([NH3+])(CC)CC2)cc1 ZINC000925757685 648310394 /nfs/dbraw/zinc/31/03/94/648310394.db2.gz VWIIBDOXXIYOKR-OAHLLOKOSA-N 2 0 286.419 2.963 20 30 CFEDRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(C#N)cc1F ZINC000925794276 648325887 /nfs/dbraw/zinc/32/58/87/648325887.db2.gz CYFQYTMTYPUXLU-MBNYWOFBSA-N 2 0 275.371 2.594 20 30 CFEDRP C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cccc(C[NH+](C)C)c1 ZINC000926228525 648441663 /nfs/dbraw/zinc/44/16/63/648441663.db2.gz MCVMVUHNYNVYIC-CQSZACIVSA-N 2 0 294.402 2.866 20 30 CFEDRP C=CCC[C@@H](CO)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926545105 648526993 /nfs/dbraw/zinc/52/69/93/648526993.db2.gz HZXNCWJBPMKIJE-YOEHRIQHSA-N 2 0 276.424 2.726 20 30 CFEDRP C=CCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926665976 648566964 /nfs/dbraw/zinc/56/69/64/648566964.db2.gz OBTRURNQZKKZMK-ALOPSCKCSA-N 2 0 280.456 2.964 20 30 CFEDRP CC(C)[NH2+][C@@H]1CCCN(CC2CCC(C#N)CC2)C1 ZINC000929969867 649157483 /nfs/dbraw/zinc/15/74/83/649157483.db2.gz PVHNCGCTPBDJFI-UYSNPLJNSA-N 2 0 263.429 2.779 20 30 CFEDRP C[C@H](c1ccc(C#N)cc1)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310756 649405052 /nfs/dbraw/zinc/40/50/52/649405052.db2.gz MWZRCYSAHMQVJE-JLSDUUJJSA-N 2 0 283.419 2.893 20 30 CFEDRP C[C@@H](c1ccc(C#N)cc1)N1CCc2[nH+]ccc(N)c2C1 ZINC000931513265 649444617 /nfs/dbraw/zinc/44/46/17/649444617.db2.gz UAKWFVQKBXOJBR-LBPRGKRZSA-N 2 0 278.359 2.655 20 30 CFEDRP C[C@@H]1C[N@H+](CC2CCC(C#N)CC2)CCN1c1cc[nH+]cc1 ZINC000931684783 649471575 /nfs/dbraw/zinc/47/15/75/649471575.db2.gz VEQOTLNBZAZIEM-KLAILNCOSA-N 2 0 298.434 2.922 20 30 CFEDRP C#CCN(C)CCC[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000328165859 775731672 /nfs/dbraw/zinc/73/16/72/775731672.db2.gz JDNJMQNXHIIVMO-CVEARBPZSA-N 2 0 250.430 2.746 20 30 CFEDRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC001167835575 776584569 /nfs/dbraw/zinc/58/45/69/776584569.db2.gz RJADPCJCCYUVRR-HUUCEWRRSA-N 2 0 251.418 2.732 20 30 CFEDRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC001167835577 776584999 /nfs/dbraw/zinc/58/49/99/776584999.db2.gz RJADPCJCCYUVRR-LSDHHAIUSA-N 2 0 251.418 2.732 20 30 CFEDRP C#Cc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC001231662489 777299998 /nfs/dbraw/zinc/29/99/98/777299998.db2.gz GRFFXBDSWXDOBC-UHFFFAOYSA-N 2 0 268.404 2.586 20 30 CFEDRP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2c[nH+]ccc2[nH]1 ZINC001232016210 777414770 /nfs/dbraw/zinc/41/47/70/777414770.db2.gz UVDVGEYORGUEOF-UWEBFBLFSA-N 2 0 266.348 2.829 20 30 CFEDRP C[C@@H]1CC([NH2+]CCS)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012347 777624719 /nfs/dbraw/zinc/62/47/19/777624719.db2.gz YQOHPRNFJJTHSJ-ZIAGYGMSSA-N 2 0 278.465 2.947 20 30 CFEDRP Cc1cc(N2CCN(Cc3ccc(C#N)s3)CC2)cc[nH+]1 ZINC001232845006 777691300 /nfs/dbraw/zinc/69/13/00/777691300.db2.gz IVOGFJHXZHUXTC-UHFFFAOYSA-N 2 0 298.415 2.645 20 30 CFEDRP C=CCCCCCCCCC[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235051753 778367073 /nfs/dbraw/zinc/36/70/73/778367073.db2.gz AOHZJVPNAUZHQR-GOSISDBHSA-N 2 0 293.499 2.931 20 30 CFEDRP N#Cc1cccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235232254 778424189 /nfs/dbraw/zinc/42/41/89/778424189.db2.gz WWROWTVNECGVQR-GOSISDBHSA-N 2 0 283.419 2.912 20 30 CFEDRP CCCCCCCC[N@H+](C)CC[C@H]1C[NH2+]CCO1 ZINC001235663902 778530468 /nfs/dbraw/zinc/53/04/68/778530468.db2.gz NJMHBVSBBAGGAK-HNNXBMFYSA-N 2 0 256.434 2.657 20 30 CFEDRP C=CCCCC[N@@H+](C)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236084722 778684766 /nfs/dbraw/zinc/68/47/66/778684766.db2.gz FNKXJTXYOKSTQM-UHFFFAOYSA-N 2 0 287.451 2.884 20 30 CFEDRP Cc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1C#N ZINC000701860891 780848545 /nfs/dbraw/zinc/84/85/45/780848545.db2.gz KTGDFGBVJVYFHH-AWEZNQCLSA-N 2 0 271.408 2.687 20 30 CFEDRP C[N@@H+]1CCC=C(c2ccccc2C2(C#N)CC[NH2+]CC2)C1 ZINC001241572408 780989579 /nfs/dbraw/zinc/98/95/79/780989579.db2.gz ZWNUVUTYTIKOSK-UHFFFAOYSA-N 2 0 281.403 2.550 20 30 CFEDRP N#CC1(c2ccccc2C2=C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC001242025234 781238606 /nfs/dbraw/zinc/23/86/06/781238606.db2.gz MASFROJUQCXVKQ-CVEARBPZSA-N 2 0 293.414 2.739 20 30 CFEDRP C[C@@H](CC(C)(C)C#N)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000709975426 781324924 /nfs/dbraw/zinc/32/49/24/781324924.db2.gz JRPKQOPWBDQMJA-ZDUSSCGKSA-N 2 0 251.418 2.636 20 30 CFEDRP N#Cc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000594584544 349451434 /nfs/dbraw/zinc/45/14/34/349451434.db2.gz UWNRTLDLVICFDZ-STQMWFEESA-N 2 0 263.772 2.571 20 30 CFEDRP N#CC1(c2ccc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000594914779 349503747 /nfs/dbraw/zinc/50/37/47/349503747.db2.gz LDPYRIODTMOSPN-MRXNPFEDSA-N 2 0 295.430 2.816 20 30 CFEDRP C=CCCSCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000595059197 349570185 /nfs/dbraw/zinc/57/01/85/349570185.db2.gz MJJZXEYXBFEYFK-RRFJBIMHSA-N 2 0 268.470 2.758 20 30 CFEDRP C=CCCSCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000595060167 349570230 /nfs/dbraw/zinc/57/02/30/349570230.db2.gz TUMBKQHHGGHZHO-UHFFFAOYSA-N 2 0 268.470 2.760 20 30 CFEDRP N#Cc1ccc(CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000595334799 349604038 /nfs/dbraw/zinc/60/40/38/349604038.db2.gz VYYSPGRBIJEIHE-SFHVURJKSA-N 2 0 283.419 2.518 20 30 CFEDRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2ccc(C#N)cc2)C1 ZINC000595346823 349607839 /nfs/dbraw/zinc/60/78/39/349607839.db2.gz MCJDSLXPDLNFNB-SFHVURJKSA-N 2 0 285.435 2.764 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccc(C#N)cc2)C[C@H]1C ZINC000595346839 349607900 /nfs/dbraw/zinc/60/79/00/349607900.db2.gz MGYLJZRVSAFPIR-QAPCUYQASA-N 2 0 285.435 2.905 20 30 CFEDRP Cc1cc(C#N)ccc1CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595504450 349644179 /nfs/dbraw/zinc/64/41/79/349644179.db2.gz JOHDUUSCNUTYKU-GOSISDBHSA-N 2 0 283.419 2.784 20 30 CFEDRP CC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423244145 529605624 /nfs/dbraw/zinc/60/56/24/529605624.db2.gz HIKPNBRIPNSMDC-HOCLYGCPSA-N 2 0 257.381 2.599 20 30 CFEDRP N#Cc1ccc(CC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000595895340 349763952 /nfs/dbraw/zinc/76/39/52/349763952.db2.gz JGDQOTAPKKMGCN-SFHVURJKSA-N 2 0 283.419 2.565 20 30 CFEDRP C#CCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000295118443 199353979 /nfs/dbraw/zinc/35/39/79/199353979.db2.gz WZIHTORJDWTLQI-AYHJJNSGSA-N 2 0 298.430 2.804 20 30 CFEDRP N#Cc1ccc(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000596650027 349968424 /nfs/dbraw/zinc/96/84/24/349968424.db2.gz HWCCIDBSERFAFB-MSOLQXFVSA-N 2 0 277.371 2.835 20 30 CFEDRP C#CCC[NH+]1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC000091480365 347589216 /nfs/dbraw/zinc/58/92/16/347589216.db2.gz USBIIVIEBMKWMO-UHFFFAOYSA-N 2 0 279.387 2.689 20 30 CFEDRP C=CCCC[C@@H](C)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000091578149 347592935 /nfs/dbraw/zinc/59/29/35/347592935.db2.gz YVYNFFDMPUFLAF-OAHLLOKOSA-N 2 0 268.445 2.510 20 30 CFEDRP C=CCCC[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000091559204 347592955 /nfs/dbraw/zinc/59/29/55/347592955.db2.gz KOBJOYIIVCTJAB-ROUUACIJSA-N 2 0 293.499 2.833 20 30 CFEDRP C[C@H](C#N)CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309743300 348407311 /nfs/dbraw/zinc/40/73/11/348407311.db2.gz WSKHDMDQLOBBAF-HLLBOEOZSA-N 2 0 271.408 2.646 20 30 CFEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000591728107 349040448 /nfs/dbraw/zinc/04/04/48/349040448.db2.gz YBYVONJLXGNBIC-BBWFWOEESA-N 2 0 290.455 2.778 20 30 CFEDRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1cccc(C#N)c1 ZINC000591570952 349029844 /nfs/dbraw/zinc/02/98/44/349029844.db2.gz JUSPTGCIDCBMCE-FUJMWEONSA-N 2 0 257.381 2.726 20 30 CFEDRP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1Cl ZINC000591573340 349031118 /nfs/dbraw/zinc/03/11/18/349031118.db2.gz NGCDSIBCAMPHOT-UKRRQHHQSA-N 2 0 277.799 2.819 20 30 CFEDRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC[NH2+]1 ZINC000591581467 349033042 /nfs/dbraw/zinc/03/30/42/349033042.db2.gz XPKKWKJLSMKAGZ-ISTRZQFTSA-N 2 0 269.392 2.666 20 30 CFEDRP C[NH+]1CCC2(CC1)C[N@H+](CCCCC(C)(C)C#N)CCO2 ZINC000592185253 349096604 /nfs/dbraw/zinc/09/66/04/349096604.db2.gz WJTZCHOMMBSNHL-UHFFFAOYSA-N 2 0 293.455 2.503 20 30 CFEDRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)C2)C1 ZINC000597130784 350035295 /nfs/dbraw/zinc/03/52/95/350035295.db2.gz WCPCNEVEBWPOOI-GOSISDBHSA-N 2 0 295.430 2.769 20 30 CFEDRP N#Cc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000598679298 350309438 /nfs/dbraw/zinc/30/94/38/350309438.db2.gz FJCCCHCNKZPIPY-SJLPKXTDSA-N 2 0 283.419 2.770 20 30 CFEDRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000599068688 350369727 /nfs/dbraw/zinc/36/97/27/350369727.db2.gz CGVOCBMDJWFANB-YJBOKZPZSA-N 2 0 283.419 2.867 20 30 CFEDRP Cc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1C#N ZINC000600712297 350600030 /nfs/dbraw/zinc/60/00/30/350600030.db2.gz WQWCCYGVHQGOAL-KRWDZBQOSA-N 2 0 283.419 2.688 20 30 CFEDRP C[C@H](CCC#N)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000602477582 350898923 /nfs/dbraw/zinc/89/89/23/350898923.db2.gz TUIWZCZNTPQZPQ-CVEARBPZSA-N 2 0 263.429 2.734 20 30 CFEDRP CC(C)C[NH+]1CCC([NH2+]C[C@H](C)CCC#N)CC1 ZINC000602509889 350909776 /nfs/dbraw/zinc/90/97/76/350909776.db2.gz HIKISENPVUKQBA-CQSZACIVSA-N 2 0 251.418 2.636 20 30 CFEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC[NH+]1CCCCC1 ZINC000602510219 350910131 /nfs/dbraw/zinc/91/01/31/350910131.db2.gz FGBYYPJAARJQDQ-INIZCTEOSA-N 2 0 293.455 2.551 20 30 CFEDRP C[C@@H](CCC#N)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000602737299 351008163 /nfs/dbraw/zinc/00/81/63/351008163.db2.gz URPGOXAJUVWKAN-HNNXBMFYSA-N 2 0 263.429 2.877 20 30 CFEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000602689886 350980397 /nfs/dbraw/zinc/98/03/97/350980397.db2.gz GPOMDXYMBAHAMT-AWEZNQCLSA-N 2 0 298.390 2.523 20 30 CFEDRP C[C@H](CCC#N)C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000602696934 350984414 /nfs/dbraw/zinc/98/44/14/350984414.db2.gz MQVJVJHXTAMGTO-NXHRZFHOSA-N 2 0 285.435 2.861 20 30 CFEDRP Cc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1C#N ZINC000602878040 351056113 /nfs/dbraw/zinc/05/61/13/351056113.db2.gz OXBYLBUHLLTCAV-UHFFFAOYSA-N 2 0 283.419 2.784 20 30 CFEDRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000603431703 351162818 /nfs/dbraw/zinc/16/28/18/351162818.db2.gz GESYYWZNMLUNJE-STQMWFEESA-N 2 0 297.324 2.792 20 30 CFEDRP N#CCCC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000612192052 351787013 /nfs/dbraw/zinc/78/70/13/351787013.db2.gz QIYUDFYPXGWWLF-UHFFFAOYSA-N 2 0 287.407 2.555 20 30 CFEDRP C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)C1CC[NH+](C)CC1 ZINC000618807190 352884048 /nfs/dbraw/zinc/88/40/48/352884048.db2.gz SZCYIMTWSNPZRR-FZKQIMNGSA-N 2 0 283.419 2.865 20 30 CFEDRP CC#CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000155869997 188233054 /nfs/dbraw/zinc/23/30/54/188233054.db2.gz XMBWERXUUQRZSS-GOSISDBHSA-N 2 0 270.420 2.854 20 30 CFEDRP C=CC[C@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000629551425 354844840 /nfs/dbraw/zinc/84/48/40/354844840.db2.gz VOSUFMGULVUGKS-AWEZNQCLSA-N 2 0 256.393 2.730 20 30 CFEDRP N#Cc1ccccc1CSCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422988434 283215142 /nfs/dbraw/zinc/21/51/42/283215142.db2.gz KLJPUEDCRBADQP-GOEBONIOSA-N 2 0 289.448 2.508 20 30 CFEDRP CC[NH2+]CCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000568740824 290568135 /nfs/dbraw/zinc/56/81/35/290568135.db2.gz VLICTJGEVBUALY-KRWDZBQOSA-N 2 0 271.408 2.915 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000414907568 540830279 /nfs/dbraw/zinc/83/02/79/540830279.db2.gz AORWJDIPTNNUTN-GJZGRUSLSA-N 2 0 290.407 2.620 20 30 CFEDRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(C#N)c1 ZINC000423348882 238398453 /nfs/dbraw/zinc/39/84/53/238398453.db2.gz USNZVGJKPDYOFK-XJKSGUPXSA-N 2 0 257.381 2.599 20 30 CFEDRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000049554006 373310540 /nfs/dbraw/zinc/31/05/40/373310540.db2.gz OMQVPYZQZKGGJD-KGLIPLIRSA-N 2 0 275.396 2.580 20 30 CFEDRP CC1CC[NH+](CCCNC(=[NH2+])Nc2ccccc2)CC1 ZINC000264133208 383699015 /nfs/dbraw/zinc/69/90/15/383699015.db2.gz UQTYVRKYTLOKPV-UHFFFAOYSA-N 2 0 274.412 2.535 20 30 CFEDRP C=C(C)CNC(=[NH2+])NCc1ccccc1C[NH+](CC)CC ZINC000264153295 383701056 /nfs/dbraw/zinc/70/10/56/383701056.db2.gz ZTEJCSBOGJONNS-UHFFFAOYSA-N 2 0 288.439 2.509 20 30 CFEDRP CC#CC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821176 375160174 /nfs/dbraw/zinc/16/01/74/375160174.db2.gz BTQRWAHEXBXMGW-UHFFFAOYSA-N 2 0 271.408 2.643 20 30 CFEDRP CC[NH+](CC)C[C@H]1CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000093693997 375299363 /nfs/dbraw/zinc/29/93/63/375299363.db2.gz DOFZODBOOOKMAS-OAHLLOKOSA-N 2 0 265.445 2.980 20 30 CFEDRP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(C)(C)CCC#N)C1 ZINC000093753260 375305223 /nfs/dbraw/zinc/30/52/23/375305223.db2.gz RSZKLVBOXKUOBC-HNNXBMFYSA-N 2 0 265.445 2.980 20 30 CFEDRP CC1(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC[NH2+]CC1 ZINC000335570485 379529593 /nfs/dbraw/zinc/52/95/93/379529593.db2.gz UXWIUGKQOSXLQC-MRXNPFEDSA-N 2 0 269.392 2.525 20 30 CFEDRP CC[N@H+](C)Cc1cccc(CNCc2ccc(C#N)o2)c1 ZINC000174351607 379869467 /nfs/dbraw/zinc/86/94/67/379869467.db2.gz PNJVRRUKGPCZOR-UHFFFAOYSA-N 2 0 283.375 2.893 20 30 CFEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174273111 379855822 /nfs/dbraw/zinc/85/58/22/379855822.db2.gz OJSZOTPTZFQBLX-GASCZTMLSA-N 2 0 289.423 2.999 20 30 CFEDRP C[N@@H+]1CC[C@]2(CCN(Cc3ccc(C#N)cc3Cl)C2)C1 ZINC000335918178 380104931 /nfs/dbraw/zinc/10/49/31/380104931.db2.gz CGSLVMTXOCHTGE-INIZCTEOSA-N 2 0 289.810 2.739 20 30 CFEDRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000181557866 380826980 /nfs/dbraw/zinc/82/69/80/380826980.db2.gz VQFYLDIVFNHELP-GOEBONIOSA-N 2 0 271.408 2.941 20 30 CFEDRP C#C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000289630488 381076414 /nfs/dbraw/zinc/07/64/14/381076414.db2.gz WVLOEQKQYQOSQQ-XOYOTBSWSA-N 2 0 268.404 2.508 20 30 CFEDRP C#Cc1ccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000290090274 381293823 /nfs/dbraw/zinc/29/38/23/381293823.db2.gz RERJMINZOJOXIJ-SFHVURJKSA-N 2 0 268.404 2.586 20 30 CFEDRP C#Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000290067263 381284021 /nfs/dbraw/zinc/28/40/21/381284021.db2.gz PUBLLAPMJHFLTL-CRAIPNDOSA-N 2 0 270.420 2.830 20 30 CFEDRP C#CCOc1ccc(CNC2CC([NH+]3CCCCC3)C2)cc1 ZINC000370113473 381387739 /nfs/dbraw/zinc/38/77/39/381387739.db2.gz UFLHKRAKHOFYMX-UHFFFAOYSA-N 2 0 298.430 2.805 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000342719579 381498104 /nfs/dbraw/zinc/49/81/04/381498104.db2.gz GKUJGJHUTNAXCK-QAPCUYQASA-N 2 0 285.435 2.915 20 30 CFEDRP C[N@@H+]1CCC[C@]2(CCN(Cc3ccc(F)c(C#N)c3)C2)C1 ZINC000292848869 381863410 /nfs/dbraw/zinc/86/34/10/381863410.db2.gz BRQSPTSBQXJCIM-KRWDZBQOSA-N 2 0 287.382 2.615 20 30 CFEDRP C=C(C)CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000352015064 382129262 /nfs/dbraw/zinc/12/92/62/382129262.db2.gz OZNCDXUIZQSPEB-IYBDPMFKSA-N 2 0 280.456 2.774 20 30 CFEDRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000574778908 335047058 /nfs/dbraw/zinc/04/70/58/335047058.db2.gz VHJQOZUQVANAFI-CQSZACIVSA-N 2 0 251.418 2.731 20 30 CFEDRP C=C(Cl)C[N@@H+](C)C1CCN(c2ccccn2)CC1 ZINC000365905395 382456485 /nfs/dbraw/zinc/45/64/85/382456485.db2.gz HNTGCSMZMONWRI-UHFFFAOYSA-N 2 0 265.788 2.735 20 30 CFEDRP C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000189086859 382539289 /nfs/dbraw/zinc/53/92/89/382539289.db2.gz KBNWOZUEBRWMPR-GDBMZVCRSA-N 2 0 271.408 2.893 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000353411521 382544562 /nfs/dbraw/zinc/54/45/62/382544562.db2.gz KJRCSCXGAYWLOD-SOLBZPMBSA-N 2 0 281.403 2.762 20 30 CFEDRP C=CCSCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000231933080 382867791 /nfs/dbraw/zinc/86/77/91/382867791.db2.gz KAGSDFBDRIEJAC-UHFFFAOYSA-N 2 0 277.437 2.559 20 30 CFEDRP C=CCOc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000442919552 382963693 /nfs/dbraw/zinc/96/36/93/382963693.db2.gz JOXCTUIHWFGFSV-HNNXBMFYSA-N 2 0 274.408 2.812 20 30 CFEDRP C[N@H+](CCC[NH2+][C@H]1CC[C@@H](C#N)C1)Cc1ccccc1 ZINC000442635617 382940075 /nfs/dbraw/zinc/94/00/75/382940075.db2.gz KCSPZMSUFRVBED-SJORKVTESA-N 2 0 271.408 2.790 20 30 CFEDRP CC#CC[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000537847240 382958334 /nfs/dbraw/zinc/95/83/34/382958334.db2.gz ONBFSYPAZGZHGX-UHFFFAOYSA-N 2 0 262.441 2.844 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH2+]CC2CCC(C#N)CC2)[C@H](C)C1 ZINC000442865349 382961894 /nfs/dbraw/zinc/96/18/94/382961894.db2.gz FIQLHYSAQOHWJF-LMPOIIKSSA-N 2 0 263.429 2.636 20 30 CFEDRP C[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)C1C[NH2+]C1 ZINC000423017694 383013978 /nfs/dbraw/zinc/01/39/78/383013978.db2.gz PKDJMLLWJFJVIN-AWEZNQCLSA-N 2 0 291.398 2.923 20 30 CFEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CC(C)(C)CCC#N)[C@@H](C)C1 ZINC000245775611 383034634 /nfs/dbraw/zinc/03/46/34/383034634.db2.gz SPQGKZHZQYRXSD-LSDHHAIUSA-N 2 0 265.445 2.978 20 30 CFEDRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCCC(C)(C)C#N)C2)C1 ZINC000339433369 383196264 /nfs/dbraw/zinc/19/62/64/383196264.db2.gz PBBDFDHFCJDCTA-MRXNPFEDSA-N 2 0 263.429 2.734 20 30 CFEDRP N#CCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000520231313 383252715 /nfs/dbraw/zinc/25/27/15/383252715.db2.gz SNSKFJYSTMFZQM-KZNAEPCWSA-N 2 0 283.419 2.763 20 30 CFEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248911409 383307480 /nfs/dbraw/zinc/30/74/80/383307480.db2.gz VKOJDEXGOMKSAE-BZUAXINKSA-N 2 0 263.429 2.779 20 30 CFEDRP C=CCC[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000449702305 383362366 /nfs/dbraw/zinc/36/23/66/383362366.db2.gz YLMABTYACBBHEB-KBAYOESNSA-N 2 0 294.483 2.946 20 30 CFEDRP CC[C@H]([NH2+]CCC[N@H+](C)CCOC)c1ccc(C#N)cc1 ZINC000278351031 384536321 /nfs/dbraw/zinc/53/63/21/384536321.db2.gz ZBYISKSJNNXEMK-KRWDZBQOSA-N 2 0 289.423 2.567 20 30 CFEDRP C=CCC1(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)CCCC1 ZINC000639254128 385384206 /nfs/dbraw/zinc/38/42/06/385384206.db2.gz UYZKKROYGRLWKN-UHFFFAOYSA-N 2 0 294.483 2.948 20 30 CFEDRP C[C@H](CC[NH+](C)C)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271927894 385403632 /nfs/dbraw/zinc/40/36/32/385403632.db2.gz HAJTVPZYCRPWET-VXGBXAGGSA-N 2 0 263.360 2.688 20 30 CFEDRP C=C(C)C[N@@H+](CC)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000639445842 385533764 /nfs/dbraw/zinc/53/37/64/385533764.db2.gz SXZGJXUVZDFEJX-SFHVURJKSA-N 2 0 288.435 2.521 20 30 CFEDRP C(#Cc1ccccc1)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682860 385659543 /nfs/dbraw/zinc/65/95/43/385659543.db2.gz BJZLBGFYWNQHSZ-UHFFFAOYSA-N 2 0 291.398 2.645 20 30 CFEDRP COc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)ccc1C#N ZINC000281808567 195390595 /nfs/dbraw/zinc/39/05/95/195390595.db2.gz VVRGXZUXIGIHFV-UHFFFAOYSA-N 2 0 299.418 2.531 20 30 CFEDRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000423326471 533354496 /nfs/dbraw/zinc/35/44/96/533354496.db2.gz KPXOANYUSPWROB-GFCCVEGCSA-N 2 0 275.371 2.738 20 30 CFEDRP CC[NH+](CC)CCOC1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000339009492 393809690 /nfs/dbraw/zinc/80/96/90/393809690.db2.gz KEFQTYXLDQHVLL-CVEARBPZSA-N 2 0 293.455 2.501 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000339085125 393816644 /nfs/dbraw/zinc/81/66/44/393816644.db2.gz PCQVNNMOWNMTRX-YHUYYLMFSA-N 2 0 275.440 2.921 20 30 CFEDRP CC[NH+](CC)CCOC1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000345713979 393914062 /nfs/dbraw/zinc/91/40/62/393914062.db2.gz PZHXMOQVLDELNB-UHFFFAOYSA-N 2 0 295.471 2.749 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(C#N)c1 ZINC000423544606 394294885 /nfs/dbraw/zinc/29/48/85/394294885.db2.gz OOUWYJUHBUKKRE-KKBVYLPWSA-N 2 0 269.392 2.597 20 30 CFEDRP C=CCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)c1 ZINC000647498243 395362094 /nfs/dbraw/zinc/36/20/94/395362094.db2.gz DBINTGLOYGDFRX-DOTOQJQBSA-N 2 0 274.408 2.811 20 30 CFEDRP C=CC[NH+]1CCC(Nc2[nH+]ccc3[nH]ccc32)CC1 ZINC000647867429 395447473 /nfs/dbraw/zinc/44/74/73/395447473.db2.gz IQOROMUXFBNWEX-UHFFFAOYSA-N 2 0 256.353 2.625 20 30 CFEDRP N#CCCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310007029 413083403 /nfs/dbraw/zinc/08/34/03/413083403.db2.gz IFEVURUECJGWOL-MSOLQXFVSA-N 2 0 283.419 2.744 20 30 CFEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000352838062 163247075 /nfs/dbraw/zinc/24/70/75/163247075.db2.gz DMCWUMANEXCMSU-GFCCVEGCSA-N 2 0 280.441 2.615 20 30 CFEDRP CN(Cc1ccccc1C#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285431753 196282094 /nfs/dbraw/zinc/28/20/94/196282094.db2.gz HMJANMGXVSYTJC-SJPCQFCGSA-N 2 0 269.392 2.615 20 30 CFEDRP C=CC[NH+](CC=C)[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000656197120 414531737 /nfs/dbraw/zinc/53/17/37/414531737.db2.gz GOHXBHMCMUMPLK-IXDOHACOSA-N 2 0 279.472 2.545 20 30 CFEDRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000044535000 175198424 /nfs/dbraw/zinc/19/84/24/175198424.db2.gz TZCCZCSSZDAOHU-HIFRSBDPSA-N 2 0 257.381 2.551 20 30 CFEDRP CC[N@@H+]1CC[C@@H](C[NH2+]C2CC(C#N)(c3ccccc3)C2)C1 ZINC000086037196 260207049 /nfs/dbraw/zinc/20/70/49/260207049.db2.gz HLKXXOWFZMMFIB-ZLPCBKJTSA-N 2 0 283.419 2.542 20 30 CFEDRP C=CCC[C@H](O)C[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000374554048 260606032 /nfs/dbraw/zinc/60/60/32/260606032.db2.gz KUJRZKOJUFGOPB-SFHVURJKSA-N 2 0 294.483 2.757 20 30 CFEDRP CC[NH+](CC)C[C@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000174879668 261200831 /nfs/dbraw/zinc/20/08/31/261200831.db2.gz ZIPQOJJRCNASPJ-OAHLLOKOSA-N 2 0 265.445 2.980 20 30 CFEDRP C#CCCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309713599 262006040 /nfs/dbraw/zinc/00/60/40/262006040.db2.gz KZCVPOOMZGGWBF-SJLPKXTDSA-N 2 0 270.420 2.900 20 30 CFEDRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCCC(C)(C)C#N)C1 ZINC000336820650 262397731 /nfs/dbraw/zinc/39/77/31/262397731.db2.gz DVIXEOSEAKQQHQ-MRXNPFEDSA-N 2 0 277.456 2.980 20 30 CFEDRP C[C@H](CNC(=[NH2+])Nc1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000264115599 262874592 /nfs/dbraw/zinc/87/45/92/262874592.db2.gz SNJZMDUWOZRBIN-ZIAGYGMSSA-N 2 0 274.412 2.534 20 30 CFEDRP C=CCOc1cccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000414814646 263053735 /nfs/dbraw/zinc/05/37/35/263053735.db2.gz ZNDLXPSDPMGUBV-RDJZCZTQSA-N 2 0 274.408 2.859 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1Cl ZINC000414954409 263159680 /nfs/dbraw/zinc/15/96/80/263159680.db2.gz KQELZFQJPCVFIJ-DOMZBBRYSA-N 2 0 294.826 2.992 20 30 CFEDRP C=C(CC)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000356475620 266122294 /nfs/dbraw/zinc/12/22/94/266122294.db2.gz MWNSZGLHXDSBEX-UHFFFAOYSA-N 2 0 280.456 2.777 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]CC2CCC(C#N)CC2)[C@H]2CCC[C@H]21 ZINC000367614746 267104127 /nfs/dbraw/zinc/10/41/27/267104127.db2.gz IELNFSUXVZNDRM-GADNRMJZSA-N 2 0 275.440 2.779 20 30 CFEDRP C=C(C)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371161643 267356855 /nfs/dbraw/zinc/35/68/55/267356855.db2.gz YGKCBFCQFSTETR-UHFFFAOYSA-N 2 0 293.499 2.691 20 30 CFEDRP C=C(C)CC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000352015060 275415868 /nfs/dbraw/zinc/41/58/68/275415868.db2.gz OZNCDXUIZQSPEB-HOTGVXAUSA-N 2 0 280.456 2.774 20 30 CFEDRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423389298 297109769 /nfs/dbraw/zinc/10/97/69/297109769.db2.gz JHAWCMHCXBTZCD-FSPWUOQZSA-N 2 0 283.419 2.913 20 30 CFEDRP C=CCOc1ccc(CN2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000353561794 328281720 /nfs/dbraw/zinc/28/17/20/328281720.db2.gz KHAXVVNASAVAMV-INIZCTEOSA-N 2 0 274.408 2.635 20 30 CFEDRP C=CCCCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000568950662 327025384 /nfs/dbraw/zinc/02/53/84/327025384.db2.gz AVIHDHRFPDFAIY-HRCADAONSA-N 2 0 266.429 2.526 20 30 CFEDRP C=CCCCC[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000582958853 329289628 /nfs/dbraw/zinc/28/96/28/329289628.db2.gz SWDXZZQBLHLSOL-UHFFFAOYSA-N 2 0 293.499 2.835 20 30 CFEDRP N#CCc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000580432013 330131608 /nfs/dbraw/zinc/13/16/08/330131608.db2.gz KKCKLLYSHZANII-HZPDHXFCSA-N 2 0 257.381 2.502 20 30 CFEDRP C=CCN(CC=C)[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])C(C)C ZINC000422837701 330157203 /nfs/dbraw/zinc/15/72/03/330157203.db2.gz VEEVWOPJODVXGQ-OKZBNKHCSA-N 2 0 293.499 2.792 20 30 CFEDRP C=CCOc1ccccc1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422912462 330159944 /nfs/dbraw/zinc/15/99/44/330159944.db2.gz WEGITLGTIQQQEC-HOCLYGCPSA-N 2 0 274.408 2.729 20 30 CFEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423096615 330169725 /nfs/dbraw/zinc/16/97/25/330169725.db2.gz PPTXYISWOAZADB-ILOCAZANSA-N 2 0 292.467 2.868 20 30 CFEDRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000423154414 330173070 /nfs/dbraw/zinc/17/30/70/330173070.db2.gz HQUKVKHFDFPXOA-QSPRXWTASA-N 2 0 271.408 2.617 20 30 CFEDRP C=C(CC)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423167543 330174124 /nfs/dbraw/zinc/17/41/24/330174124.db2.gz XBKVJTUHRAZOON-WBVHZDCISA-N 2 0 272.392 2.798 20 30 CFEDRP C=CCC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CC1 ZINC000423499425 330208257 /nfs/dbraw/zinc/20/82/57/330208257.db2.gz AWULDXLXVVPDQD-DAWZGUTISA-N 2 0 291.483 2.537 20 30 CFEDRP N#C[C@H]1CC[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)C1 ZINC000442778323 330782421 /nfs/dbraw/zinc/78/24/21/330782421.db2.gz KGKUVBJEWAMUEU-JKSUJKDBSA-N 2 0 263.429 2.924 20 30 CFEDRP CC(C)(CCC#N)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446887736 330857154 /nfs/dbraw/zinc/85/71/54/330857154.db2.gz XVXPXKCHHMOTPS-UHFFFAOYSA-N 2 0 263.429 2.780 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000252892871 334399183 /nfs/dbraw/zinc/39/91/83/334399183.db2.gz OWTZIRJOICMHQQ-RHSMWYFYSA-N 2 0 274.408 2.681 20 30 CFEDRP C=CCOc1ccccc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000345182821 335305587 /nfs/dbraw/zinc/30/55/87/335305587.db2.gz GUAUCVDIQGZNRB-UHFFFAOYSA-N 2 0 272.392 2.603 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000049553571 519036143 /nfs/dbraw/zinc/03/61/43/519036143.db2.gz GOXLNNCUURMBLZ-AWEZNQCLSA-N 2 0 262.397 2.681 20 30 CFEDRP CC#CCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352814413 526310067 /nfs/dbraw/zinc/31/00/67/526310067.db2.gz GDONFJOPSJOSDH-IBGZPJMESA-N 2 0 282.431 2.998 20 30 CFEDRP C=CC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000347708162 526455726 /nfs/dbraw/zinc/45/57/26/526455726.db2.gz RLAGCTSVVNFCRU-UHFFFAOYSA-N 2 0 253.349 2.543 20 30 CFEDRP C=CCOc1ccc(C[NH+]2CCC(C[NH2+]C)CC2)cc1 ZINC000347094536 526866073 /nfs/dbraw/zinc/86/60/73/526866073.db2.gz HLDZZIRJMZTBMN-UHFFFAOYSA-N 2 0 274.408 2.683 20 30 CFEDRP C=CCN1CCC([NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000730019175 574242093 /nfs/dbraw/zinc/24/20/93/574242093.db2.gz GXOHVLITWOVPNL-UHFFFAOYSA-N 2 0 281.403 2.975 20 30 CFEDRP C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000742375989 574279236 /nfs/dbraw/zinc/27/92/36/574279236.db2.gz ZIGKUKZSFXMBMI-SQWLQELKSA-N 2 0 287.407 2.550 20 30 CFEDRP C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000742375986 574326316 /nfs/dbraw/zinc/32/63/16/574326316.db2.gz ZIGKUKZSFXMBMI-FMKPAKJESA-N 2 0 287.407 2.550 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CCCCCC[NH3+])CC2 ZINC000843341530 617603169 /nfs/dbraw/zinc/60/31/69/617603169.db2.gz JFRQHLKJUOCRNZ-MRXNPFEDSA-N 2 0 257.381 2.654 20 30 CFEDRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(OCC#N)cc1 ZINC000044533688 618026806 /nfs/dbraw/zinc/02/68/06/618026806.db2.gz LMQAHHYKRSLIOP-CABCVRRESA-N 2 0 287.407 2.581 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925665496 618431976 /nfs/dbraw/zinc/43/19/76/618431976.db2.gz LVNUFIABUGHKCM-CVEARBPZSA-N 2 0 272.392 2.611 20 30 CFEDRP COc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)ccc1C#N ZINC000925668680 618436187 /nfs/dbraw/zinc/43/61/87/618436187.db2.gz JSXWSOOYYMWPKS-LSDHHAIUSA-N 2 0 287.407 2.562 20 30 CFEDRP C#CCCC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000178055429 618621380 /nfs/dbraw/zinc/62/13/80/618621380.db2.gz RSWVDMOFKBZLKG-OAHLLOKOSA-N 2 0 274.408 2.691 20 30 CFEDRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000925694562 618942012 /nfs/dbraw/zinc/94/20/12/618942012.db2.gz UORFGZRUZVAYGY-ZIAGYGMSSA-N 2 0 275.371 2.693 20 30 CFEDRP CC(C)(CC#N)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925696153 618948076 /nfs/dbraw/zinc/94/80/76/618948076.db2.gz STZDJAGUPNNOLF-LSDHHAIUSA-N 2 0 263.429 2.684 20 30 CFEDRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2ccc(CC#N)cc2)C1 ZINC000925706291 618960487 /nfs/dbraw/zinc/96/04/87/618960487.db2.gz NASQVTHOYRSSKE-HOTGVXAUSA-N 2 0 271.408 2.748 20 30 CFEDRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(CC#N)cc2)C1 ZINC000925706292 618961037 /nfs/dbraw/zinc/96/10/37/618961037.db2.gz NASQVTHOYRSSKE-HZPDHXFCSA-N 2 0 271.408 2.748 20 30 CFEDRP C=CCC[C@@H](CCC)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925783418 619107321 /nfs/dbraw/zinc/10/73/21/619107321.db2.gz NXPYNKLDIUINCZ-QWHCGFSZSA-N 2 0 260.372 2.956 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(OCC#N)cc1 ZINC000317375841 619113528 /nfs/dbraw/zinc/11/35/28/619113528.db2.gz HSRHJDDKUCZYNH-UAGQMJEPSA-N 2 0 299.418 2.866 20 30 CFEDRP C=CCC[C@@H]([NH2+]CCn1ccnc1)[C@@]1(C)CCCCO1 ZINC000902724973 621158347 /nfs/dbraw/zinc/15/83/47/621158347.db2.gz NBDVRTYVKKYNEX-HZPDHXFCSA-N 2 0 277.412 2.767 20 30 CFEDRP CC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccc(C#N)c1 ZINC000902780727 621172112 /nfs/dbraw/zinc/17/21/12/621172112.db2.gz QSOWPVAXWJKUKY-BBRMVZONSA-N 2 0 259.397 2.939 20 30 CFEDRP Cc1cc(C#N)cc(C)c1CN1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000903424838 621379649 /nfs/dbraw/zinc/37/96/49/621379649.db2.gz IOBOREFVCVMEGC-SJCJKPOMSA-N 2 0 271.408 2.734 20 30 CFEDRP C[N@H+](Cc1cc(Cl)cc(C#N)c1)CC(C)(C)C[NH3+] ZINC000903424719 621380145 /nfs/dbraw/zinc/38/01/45/621380145.db2.gz CYEQKYJZBWXTPN-UHFFFAOYSA-N 2 0 265.788 2.628 20 30 CFEDRP CC[C@@H]1C[N@H+](Cc2c(C)cc(C#N)cc2C)CC[C@H]1[NH3+] ZINC000903449819 621386350 /nfs/dbraw/zinc/38/63/50/621386350.db2.gz HMVJBQBBYONKHM-NVXWUHKLSA-N 2 0 271.408 2.734 20 30 CFEDRP C=CCCC[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793612 621439489 /nfs/dbraw/zinc/43/94/89/621439489.db2.gz GHFANULBQFZOLU-UHFFFAOYSA-N 2 0 258.409 2.945 20 30 CFEDRP C[NH2+]C[C@H]1CCCCN1CCCCC1(C#N)CCC1 ZINC000903782260 621440990 /nfs/dbraw/zinc/44/09/90/621440990.db2.gz IOQAAQWVYGVTED-OAHLLOKOSA-N 2 0 263.429 2.924 20 30 CFEDRP CCCC[NH+]=C(NC[C@H]1CC[N@H+](CCC)C1)NC(C)(C)C ZINC000912497014 622728332 /nfs/dbraw/zinc/72/83/32/622728332.db2.gz LQNKECQGNJQXHP-OAHLLOKOSA-N 2 0 296.503 2.852 20 30 CFEDRP C=CCSCC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000231933673 623375588 /nfs/dbraw/zinc/37/55/88/623375588.db2.gz YHEMWEBBFTWRAZ-KGLIPLIRSA-N 2 0 256.459 2.806 20 30 CFEDRP C=CCCCC[C@H](C)[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000823825040 623400994 /nfs/dbraw/zinc/40/09/94/623400994.db2.gz FAMIYZIJRWEPLV-HRCADAONSA-N 2 0 266.429 2.574 20 30 CFEDRP C[C@@H](CC(C)(C)C#N)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000925440371 624356692 /nfs/dbraw/zinc/35/66/92/624356692.db2.gz RBYICRZXOLIBLO-HRCADAONSA-N 2 0 295.471 2.794 20 30 CFEDRP C#CCSCC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000181101117 625066456 /nfs/dbraw/zinc/06/64/56/625066456.db2.gz WDJMYMCHCLRTSS-NVXWUHKLSA-N 2 0 294.508 2.986 20 30 CFEDRP C#CCSCC[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000181101100 625066500 /nfs/dbraw/zinc/06/65/00/625066500.db2.gz WDJMYMCHCLRTSS-RDJZCZTQSA-N 2 0 294.508 2.986 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000921780303 626120373 /nfs/dbraw/zinc/12/03/73/626120373.db2.gz PFZHWLPFDJHEFL-HOCLYGCPSA-N 2 0 271.408 2.747 20 30 CFEDRP C#Cc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000809608479 626541204 /nfs/dbraw/zinc/54/12/04/626541204.db2.gz SMEYFCPGZHMRBQ-INIZCTEOSA-N 2 0 270.420 2.880 20 30 CFEDRP C#CCSCC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000773010575 627768279 /nfs/dbraw/zinc/76/82/79/627768279.db2.gz NSEYFTPVUUFFON-DOTOQJQBSA-N 2 0 294.508 2.986 20 30 CFEDRP C#CCCCC[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000773041811 627773302 /nfs/dbraw/zinc/77/33/02/627773302.db2.gz SJLDIMFFLPNCEL-IAGOWNOFSA-N 2 0 280.456 2.517 20 30 CFEDRP C#CCOc1cccc(Cl)c1C[NH2+]CCCC[NH+](C)C ZINC000778165918 628282246 /nfs/dbraw/zinc/28/22/46/628282246.db2.gz UPEUTEAOJFQAPV-UHFFFAOYSA-N 2 0 294.826 2.783 20 30 CFEDRP C=CCCCCC[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000793522453 629561003 /nfs/dbraw/zinc/56/10/03/629561003.db2.gz ADJXUOHNJDDSAN-IRXDYDNUSA-N 2 0 281.488 2.737 20 30 CFEDRP C#C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(C)(C)C ZINC000809781568 631288017 /nfs/dbraw/zinc/28/80/17/631288017.db2.gz WLOJUPAXNAXDMQ-SFHVURJKSA-N 2 0 299.462 2.576 20 30 CFEDRP C=CCOc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000843056542 631820026 /nfs/dbraw/zinc/82/00/26/631820026.db2.gz PVHVLUVHBFSTMB-UHFFFAOYSA-N 2 0 274.408 2.953 20 30 CFEDRP C[C@@H]([NH2+]CCCCCC[NH3+])c1ccc(OCC#N)cc1 ZINC000843340617 631931282 /nfs/dbraw/zinc/93/12/82/631931282.db2.gz CIBUOGUCXYKMIS-CQSZACIVSA-N 2 0 275.396 2.759 20 30 CFEDRP C#Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000816643274 632501333 /nfs/dbraw/zinc/50/13/33/632501333.db2.gz ZWEVMFUNKDFJLC-SFHVURJKSA-N 2 0 268.404 2.586 20 30 CFEDRP C#CCN(C)CCC[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000850471395 634007139 /nfs/dbraw/zinc/00/71/39/634007139.db2.gz PTVNRBDBZVFSGR-LBPRGKRZSA-N 2 0 281.350 2.625 20 30 CFEDRP CCC#C[C@@H](C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212307 636507679 /nfs/dbraw/zinc/50/76/79/636507679.db2.gz MNMCRDZSIATLCL-OAHLLOKOSA-N 2 0 258.409 2.982 20 30 CFEDRP C[NH+](C)Cc1ccc(C[N@H+](C)CCCCC#N)cc1 ZINC000859214269 636508508 /nfs/dbraw/zinc/50/85/08/636508508.db2.gz HNRFDNPPPGWWSM-UHFFFAOYSA-N 2 0 259.397 2.874 20 30 CFEDRP C[NH+](C)Cc1ccc(C[N@H+](C)CCCSCC#N)cc1 ZINC000859214872 636508854 /nfs/dbraw/zinc/50/88/54/636508854.db2.gz QAMNMKMGOIHBNG-UHFFFAOYSA-N 2 0 291.464 2.827 20 30 CFEDRP CC(=Nn1cccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000863164727 637577536 /nfs/dbraw/zinc/57/75/36/637577536.db2.gz UFGCKVWQANTOGU-INIZCTEOSA-N 2 0 268.364 2.629 20 30 CFEDRP C=CCCCCC[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000863542090 637690088 /nfs/dbraw/zinc/69/00/88/637690088.db2.gz RRHDRCBFBYAGNK-AWEZNQCLSA-N 2 0 254.418 2.609 20 30 CFEDRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000192971922 650612887 /nfs/dbraw/zinc/61/28/87/650612887.db2.gz PRLMRWMEBJVAQP-ZFWWWQNUSA-N 2 0 263.429 2.921 20 30 CFEDRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000192971932 650612990 /nfs/dbraw/zinc/61/29/90/650612990.db2.gz PRLMRWMEBJVAQP-UKRRQHHQSA-N 2 0 263.429 2.921 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000873259954 642104246 /nfs/dbraw/zinc/10/42/46/642104246.db2.gz PCZZLPXKQHQGLE-XYVMCAHJSA-N 2 0 298.430 2.880 20 30 CFEDRP C#CCCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000876812304 643020095 /nfs/dbraw/zinc/02/00/95/643020095.db2.gz KRHWOISPLJYQAX-DLBZAZTESA-N 2 0 262.441 2.986 20 30 CFEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000877073752 643136103 /nfs/dbraw/zinc/13/61/03/643136103.db2.gz RPMHCQBJZZIENL-BZUAXINKSA-N 2 0 293.455 2.548 20 30 CFEDRP C[C@@H](CCC#N)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000877497188 643309604 /nfs/dbraw/zinc/30/96/04/643309604.db2.gz JBJUSZNYNFSWIJ-HNNXBMFYSA-N 2 0 263.429 2.734 20 30 CFEDRP C[NH+](C)C1CCC([NH2+]Cc2cc(C#N)cnc2Cl)CC1 ZINC000877595655 643387489 /nfs/dbraw/zinc/38/74/89/643387489.db2.gz GVAFIQHCTNMIBH-UHFFFAOYSA-N 2 0 292.814 2.569 20 30 CFEDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1C#N)CC2 ZINC000877684112 643453218 /nfs/dbraw/zinc/45/32/18/643453218.db2.gz GSGDSXSEPUVWPY-UHFFFAOYSA-N 2 0 283.419 2.866 20 30 CFEDRP C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)C1CC[NH+](C)CC1 ZINC000090117826 650864616 /nfs/dbraw/zinc/86/46/16/650864616.db2.gz WUDLGLASPLAOSU-GFCCVEGCSA-N 2 0 275.371 2.517 20 30 CFEDRP C#CCCCCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000878257161 643811206 /nfs/dbraw/zinc/81/12/06/643811206.db2.gz FOOMLMVPZPCKNI-CVEARBPZSA-N 2 0 250.430 2.842 20 30 CFEDRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)CC1(CC#N)CC1 ZINC000879703658 644389252 /nfs/dbraw/zinc/38/92/52/644389252.db2.gz RQXOBOIHIFNKEK-UHFFFAOYSA-N 2 0 277.456 2.980 20 30 CFEDRP C=CCC[C@@H](O)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879703060 644389639 /nfs/dbraw/zinc/38/96/39/644389639.db2.gz CFUVLVVBQZIKDT-QGZVFWFLSA-N 2 0 282.472 2.613 20 30 CFEDRP CCC(CC)[C@@H](CNC(=[NH2+])N[C@@H](C)CC)[NH+]1CCCC1 ZINC000303265902 650991964 /nfs/dbraw/zinc/99/19/64/650991964.db2.gz VEUAJSAYHWGSLH-DZGCQCFKSA-N 2 0 282.476 2.590 20 30 CFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H](C)CCCC(C)C ZINC000303708960 650999316 /nfs/dbraw/zinc/99/93/16/650999316.db2.gz NKVIQZAKGYMXSM-GJZGRUSLSA-N 2 0 282.476 2.590 20 30 CFEDRP CC(C)[C@H](CNC(=[NH2+])NC(C)(C)C)[NH+]1CCCCCC1 ZINC000303773764 651001754 /nfs/dbraw/zinc/00/17/54/651001754.db2.gz FLRJTGOCMMUYFX-AWEZNQCLSA-N 2 0 282.476 2.590 20 30 CFEDRP CCC(CC)[C@H](CNC(=[NH2+])NC(C)(C)C)[NH+]1CCCC1 ZINC000303782349 651002440 /nfs/dbraw/zinc/00/24/40/651002440.db2.gz NDJSQSRPLSYXNP-AWEZNQCLSA-N 2 0 282.476 2.590 20 30 CFEDRP CCC(CC)[C@@H](CNC(=[NH2+])NCC1CCC1)[NH+]1CCCC1 ZINC000303788335 651002707 /nfs/dbraw/zinc/00/27/07/651002707.db2.gz UFVPHUFRNVVDGR-MRXNPFEDSA-N 2 0 294.487 2.591 20 30 CFEDRP CC(C)[C@@H](CNC(=[NH2+])NCC1CCC1)[NH+]1CCCCCC1 ZINC000303793538 651002774 /nfs/dbraw/zinc/00/27/74/651002774.db2.gz ZMZAYAFNPIHHIY-MRXNPFEDSA-N 2 0 294.487 2.591 20 30 CFEDRP CC[C@H](CNC(=[NH2+])Nc1ccc(C)c(C)c1)[NH+]1CCCC1 ZINC000303877435 651004960 /nfs/dbraw/zinc/00/49/60/651004960.db2.gz FGIBXZCFSFZFLY-MRXNPFEDSA-N 2 0 288.439 2.904 20 30 CFEDRP CCCCCCCCNC(=[NH2+])NC[C@@H]1CC[N@H+](CC)C1 ZINC000303897494 651007220 /nfs/dbraw/zinc/00/72/20/651007220.db2.gz QOFMTOFFICANOF-HNNXBMFYSA-N 2 0 282.476 2.593 20 30 CFEDRP C=CCC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CCCO1 ZINC000883195145 645655825 /nfs/dbraw/zinc/65/58/25/645655825.db2.gz LRWZCXLOXVKQNQ-NCOADZHNSA-N 2 0 280.456 2.963 20 30 CFEDRP C=CCC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@H]1CCCO1 ZINC000883199840 645659210 /nfs/dbraw/zinc/65/92/10/645659210.db2.gz QJXNTYDWVSPACD-DLBZAZTESA-N 2 0 280.456 2.963 20 30 CFEDRP CCc1cccc(NC(=[NH2+])NC[C@@H]2CCCC[N@H+]2CC)c1 ZINC000304757773 651032415 /nfs/dbraw/zinc/03/24/15/651032415.db2.gz PGMJTYNCDYJXCY-INIZCTEOSA-N 2 0 288.439 2.850 20 30 CFEDRP CC(C)c1cccc(NC(=[NH2+])NCC[NH2+]C(C)(C)C)c1 ZINC000304758294 651033163 /nfs/dbraw/zinc/03/31/63/651033163.db2.gz PUPGFDXTMVGJFT-UHFFFAOYSA-N 2 0 276.428 2.925 20 30 CFEDRP C=CCC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@H]1CCCO1 ZINC000883230441 645680493 /nfs/dbraw/zinc/68/04/93/645680493.db2.gz GTJZKJYAEQUHAU-SJJHQCBESA-N 2 0 280.456 2.963 20 30 CFEDRP COc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)ccc1C#N ZINC000925668677 648270521 /nfs/dbraw/zinc/27/05/21/648270521.db2.gz JSXWSOOYYMWPKS-CABCVRRESA-N 2 0 287.407 2.562 20 30 CFEDRP N#Cc1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)nc1 ZINC000925673768 648274462 /nfs/dbraw/zinc/27/44/62/648274462.db2.gz PRTWTSYJLSYXNT-QGZVFWFLSA-N 2 0 280.375 2.523 20 30 CFEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925681867 648278671 /nfs/dbraw/zinc/27/86/71/648278671.db2.gz RCMZTUTVSBTYBJ-HJWJTTGWSA-N 2 0 275.440 2.827 20 30 CFEDRP C=CC[C@H](C)[C@@H](C)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925751999 648307259 /nfs/dbraw/zinc/30/72/59/648307259.db2.gz SUWQROPNJSVDJU-WDEREUQCSA-N 2 0 265.426 2.561 20 30 CFEDRP CSc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1C#N ZINC000925773475 648316906 /nfs/dbraw/zinc/31/69/06/648316906.db2.gz NVNULQLHDDRNSS-HIFRSBDPSA-N 2 0 289.448 2.887 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC000925883359 648355304 /nfs/dbraw/zinc/35/53/04/648355304.db2.gz VOQHVTMHGAWVGF-YSVLISHTSA-N 2 0 269.392 2.653 20 30 CFEDRP C#CC[N@@H+](C)CCCN[C@H](C)c1cc(-c2ccccc2)no1 ZINC000926488937 648506681 /nfs/dbraw/zinc/50/66/81/648506681.db2.gz CORHYUXLADVZSI-OAHLLOKOSA-N 2 0 297.402 2.947 20 30 CFEDRP C[C@H](NCC1(C#N)CC1)c1cccc(C[NH+](C)C)c1 ZINC000926872771 648641391 /nfs/dbraw/zinc/64/13/91/648641391.db2.gz AHWOVYGXZDTCEM-ZDUSSCGKSA-N 2 0 257.381 2.703 20 30 CFEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2CCC(C#N)CC2)[C@H](C)C1 ZINC000930000768 649163872 /nfs/dbraw/zinc/16/38/72/649163872.db2.gz RKJNYKVWXQHCEH-RDHHWEPZSA-N 2 0 277.456 2.978 20 30 CFEDRP C[C@H](CNC(=[NH2+])NC1CCCCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000305747783 651074665 /nfs/dbraw/zinc/07/46/65/651074665.db2.gz TYSWVLBWCTXXIQ-LSDHHAIUSA-N 2 0 294.487 2.734 20 30 CFEDRP CCc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)ccc1C#N ZINC001206810888 770009119 /nfs/dbraw/zinc/00/91/19/770009119.db2.gz QNICLJPZTIGVFQ-DZGCQCFKSA-N 2 0 271.408 2.680 20 30 CFEDRP C=CCCCCCC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001209436810 770088533 /nfs/dbraw/zinc/08/85/33/770088533.db2.gz XSDGEIGRVQFTAK-UHFFFAOYSA-N 2 0 293.499 2.835 20 30 CFEDRP C=CCCCCCCCCC[NH+]1CCN(CC[NH3+])CC1 ZINC001209976232 770181366 /nfs/dbraw/zinc/18/13/66/770181366.db2.gz KCQPEGOROPGIHD-UHFFFAOYSA-N 2 0 281.488 2.870 20 30 CFEDRP C#CCN(C)CCC[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000328259863 775735697 /nfs/dbraw/zinc/73/56/97/775735697.db2.gz LCDBYWHFSQUZRR-QGZVFWFLSA-N 2 0 258.409 2.991 20 30 CFEDRP CCc1cc(C#N)ccc1C[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001277232892 776262122 /nfs/dbraw/zinc/26/21/22/776262122.db2.gz DCRDNNVPJQFTKT-KDURUIRLSA-N 2 0 297.446 2.894 20 30 CFEDRP C#C[C@H]1CCC[N@@H+]([C@H](C)CCC[NH+](CC)CC)C1 ZINC001167837181 776586884 /nfs/dbraw/zinc/58/68/84/776586884.db2.gz JANFTSOJNBAZLI-CVEARBPZSA-N 2 0 250.430 2.842 20 30 CFEDRP C#Cc1cccc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)c1 ZINC001231664463 777300966 /nfs/dbraw/zinc/30/09/66/777300966.db2.gz QSVZHDKZYMADKX-UHFFFAOYSA-N 2 0 291.398 2.694 20 30 CFEDRP C#C[C@@](C)(CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167968602 777428485 /nfs/dbraw/zinc/42/84/85/777428485.db2.gz SXXLUUPTMUOFGJ-HMQMGEFJSA-N 2 0 260.425 2.783 20 30 CFEDRP C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cccc(C#N)n1 ZINC001232925691 777721263 /nfs/dbraw/zinc/72/12/63/777721263.db2.gz KVKIIHKTYZJYGU-ZWKOTPCHSA-N 2 0 298.434 2.792 20 30 CFEDRP C#CCOc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1 ZINC001235048454 778366331 /nfs/dbraw/zinc/36/63/31/778366331.db2.gz YCJBZWYZJCKERQ-LJQANCHMSA-N 2 0 298.430 2.807 20 30 CFEDRP N#CCCN1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001277938700 778462483 /nfs/dbraw/zinc/46/24/83/778462483.db2.gz DNAIMQHXTSCEQV-UHFFFAOYSA-N 2 0 261.413 2.631 20 30 CFEDRP C#Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235428199 778486406 /nfs/dbraw/zinc/48/64/06/778486406.db2.gz NQKGJKBPLGBDKM-MOPGFXCFSA-N 2 0 282.431 2.880 20 30 CFEDRP C#CC[N@@H+](CC1(F)CC[NH2+]CC1)[C@@H]1CCc2ccccc21 ZINC001235834704 778573161 /nfs/dbraw/zinc/57/31/61/778573161.db2.gz NQEMHLZBPYIIPR-QGZVFWFLSA-N 2 0 286.394 2.701 20 30 CFEDRP C=CCCCCCC[N@@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235005900 779302456 /nfs/dbraw/zinc/30/24/56/779302456.db2.gz HDPJCOBNMHBUJH-QGZVFWFLSA-N 2 0 280.456 2.825 20 30 CFEDRP N#Cc1cc(-c2c[nH+]cc3cc[nH]c32)cc(C2C[NH2+]C2)c1 ZINC001240350638 780102166 /nfs/dbraw/zinc/10/21/66/780102166.db2.gz CPORBWOTEGLWGQ-UHFFFAOYSA-N 2 0 274.327 2.788 20 30 CFEDRP C=CCCSCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000594959761 349530688 /nfs/dbraw/zinc/53/06/88/349530688.db2.gz CLDWMGUBFQFZIZ-KBPBESRZSA-N 2 0 254.443 2.512 20 30 CFEDRP C=CCCSCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000595059104 349570225 /nfs/dbraw/zinc/57/02/25/349570225.db2.gz LBBVENFTYNNOOR-CYBMUJFWSA-N 2 0 256.459 2.616 20 30 CFEDRP C[NH+](C)CCC[C@@H]1C[N@H+](CCCCC(C)(C)C#N)CCO1 ZINC000595907158 349765105 /nfs/dbraw/zinc/76/51/05/349765105.db2.gz RILIWWPVRLLTFY-MRXNPFEDSA-N 2 0 295.471 2.749 20 30 CFEDRP C[NH+](C)CCC[C@H]1C[N@H+](CCCCC(C)(C)C#N)CCO1 ZINC000595907157 349765218 /nfs/dbraw/zinc/76/52/18/349765218.db2.gz RILIWWPVRLLTFY-INIZCTEOSA-N 2 0 295.471 2.749 20 30 CFEDRP CC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(C#N)cc1 ZINC000562592734 290058166 /nfs/dbraw/zinc/05/81/66/290058166.db2.gz VEDVIWSWDLUWHD-XJKSGUPXSA-N 2 0 259.397 2.939 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000591577029 349030847 /nfs/dbraw/zinc/03/08/47/349030847.db2.gz YDLVJCYADWBHLW-KRWDZBQOSA-N 2 0 269.392 2.525 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000591577868 349031056 /nfs/dbraw/zinc/03/10/56/349031056.db2.gz KBMPZFYDLHQWSS-WMLDXEAASA-N 2 0 269.392 2.525 20 30 CFEDRP CC[NH2+]CCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591577165 349031310 /nfs/dbraw/zinc/03/13/10/349031310.db2.gz TYBLJPNVTLYEEZ-INIZCTEOSA-N 2 0 257.381 2.525 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000591578388 349031539 /nfs/dbraw/zinc/03/15/39/349031539.db2.gz YPAUMUOCTJDMTH-UXLLHSPISA-N 2 0 269.392 2.795 20 30 CFEDRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC[NH2+]1 ZINC000591581474 349032978 /nfs/dbraw/zinc/03/29/78/349032978.db2.gz XPKKWKJLSMKAGZ-SRCQZFHVSA-N 2 0 269.392 2.666 20 30 CFEDRP C[N@@H+]1C[C@@H](C[NH2+][C@H]2CC[C@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000592401967 349117048 /nfs/dbraw/zinc/11/70/48/349117048.db2.gz FLSNTYLQBKHCOK-RANZSIQMSA-N 2 0 283.419 2.614 20 30 CFEDRP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594496668 349429988 /nfs/dbraw/zinc/42/99/88/349429988.db2.gz QXEREDKUGFRSDJ-CQSZACIVSA-N 2 0 273.424 2.918 20 30 CFEDRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000599068686 350369535 /nfs/dbraw/zinc/36/95/35/350369535.db2.gz CGVOCBMDJWFANB-MAUKXSAKSA-N 2 0 283.419 2.867 20 30 CFEDRP Cc1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1C#N ZINC000599330211 350415602 /nfs/dbraw/zinc/41/56/02/350415602.db2.gz VTSGLJCLBSYYFR-HNNXBMFYSA-N 2 0 280.375 2.969 20 30 CFEDRP Cc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1C#N ZINC000600703863 350598297 /nfs/dbraw/zinc/59/82/97/350598297.db2.gz MDGXDBHPGIZWAR-UHFFFAOYSA-N 2 0 269.392 2.583 20 30 CFEDRP C[NH+]1CCC(C)(C[NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000602014452 350831622 /nfs/dbraw/zinc/83/16/22/350831622.db2.gz DLYWNBGWNSSGHT-UHFFFAOYSA-N 2 0 275.371 2.519 20 30 CFEDRP C[NH+](C)C1CCC([NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000602021356 350833762 /nfs/dbraw/zinc/83/37/62/350833762.db2.gz SMQHOPLHRSVZIZ-UHFFFAOYSA-N 2 0 275.371 2.660 20 30 CFEDRP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cccc(C#N)c1 ZINC000602022873 350834761 /nfs/dbraw/zinc/83/47/61/350834761.db2.gz WNLWWKHNOFMEGV-CJNGLKHVSA-N 2 0 271.408 2.987 20 30 CFEDRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cccc(F)c1C#N ZINC000602026545 350834917 /nfs/dbraw/zinc/83/49/17/350834917.db2.gz YQMZSHGWQPPZGG-UHFFFAOYSA-N 2 0 277.387 2.907 20 30 CFEDRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(C#N)c(F)c1 ZINC000602023494 350835121 /nfs/dbraw/zinc/83/51/21/350835121.db2.gz YLCCIGBNXGVUIW-HUBLWGQQSA-N 2 0 275.371 2.865 20 30 CFEDRP C[C@H](CCC#N)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000602479135 350900109 /nfs/dbraw/zinc/90/01/09/350900109.db2.gz FVTAIPVPLITWLJ-GDBMZVCRSA-N 2 0 263.429 2.590 20 30 CFEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC[NH+]1CCCCC1 ZINC000602510220 350910587 /nfs/dbraw/zinc/91/05/87/350910587.db2.gz FGBYYPJAARJQDQ-MRXNPFEDSA-N 2 0 293.455 2.551 20 30 CFEDRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602515068 350911076 /nfs/dbraw/zinc/91/10/76/350911076.db2.gz SZJWNTXINHKXTN-HNNXBMFYSA-N 2 0 286.423 2.555 20 30 CFEDRP C[C@H](CCC#N)C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000602512434 350911132 /nfs/dbraw/zinc/91/11/32/350911132.db2.gz BEYJXCVFYUJDTK-OAGGEKHMSA-N 2 0 265.445 2.884 20 30 CFEDRP CCC[NH+]1CCC(C[NH2+]C[C@H](C)CCC#N)CC1 ZINC000602547142 350920089 /nfs/dbraw/zinc/92/00/89/350920089.db2.gz AGSPGTVHTKTFCQ-CQSZACIVSA-N 2 0 251.418 2.638 20 30 CFEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)CCC#N)[C@H](C)C1 ZINC000602547389 350920416 /nfs/dbraw/zinc/92/04/16/350920416.db2.gz XXVHHWHMOMVIJY-ZACQAIPSSA-N 2 0 295.471 2.653 20 30 CFEDRP CC[NH+](CC)CC1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602441783 350884852 /nfs/dbraw/zinc/88/48/52/350884852.db2.gz WCWSWZCDXLGPDS-UHFFFAOYSA-N 2 0 286.423 2.507 20 30 CFEDRP CCC[NH+]1CCC([N@H+](C)C[C@H](C)CCC#N)CC1 ZINC000602448554 350887262 /nfs/dbraw/zinc/88/72/62/350887262.db2.gz LZDABGHNMJSXOT-CQSZACIVSA-N 2 0 251.418 2.732 20 30 CFEDRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602474288 350895932 /nfs/dbraw/zinc/89/59/32/350895932.db2.gz GHZMVZCOUXOMAA-GJZGRUSLSA-N 2 0 251.418 2.590 20 30 CFEDRP CCC1([NH+](C)C)CC[NH+](C[C@H](C)CCC#N)CC1 ZINC000602738487 351009131 /nfs/dbraw/zinc/00/91/31/351009131.db2.gz KTSPAXLMJHUTEZ-CQSZACIVSA-N 2 0 251.418 2.732 20 30 CFEDRP N#CCC1(CN2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000602777625 351021518 /nfs/dbraw/zinc/02/15/18/351021518.db2.gz HNKANIMSKWYYAS-OAHLLOKOSA-N 2 0 261.413 2.631 20 30 CFEDRP CC(C)(C#N)CCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847304 351043800 /nfs/dbraw/zinc/04/38/00/351043800.db2.gz WBPNARXTLXQENP-UHFFFAOYSA-N 2 0 286.423 2.924 20 30 CFEDRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907582 351063384 /nfs/dbraw/zinc/06/33/84/351063384.db2.gz OIUSWKVGKIXXNY-KRWDZBQOSA-N 2 0 298.434 2.617 20 30 CFEDRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccc(C#N)cn1 ZINC000603111395 351105858 /nfs/dbraw/zinc/10/58/58/351105858.db2.gz PVWRGEAUJCKTJA-UHFFFAOYSA-N 2 0 286.423 2.651 20 30 CFEDRP C[NH+](C)CCCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611392569 351680124 /nfs/dbraw/zinc/68/01/24/351680124.db2.gz WKPHYPBAVNZWHA-KRWDZBQOSA-N 2 0 271.408 2.867 20 30 CFEDRP C=CCOc1cccc(C[NH2+]C[C@H](C)C[NH+](C)C)c1 ZINC000291772544 198086686 /nfs/dbraw/zinc/08/66/86/198086686.db2.gz SZMWJOJBNNLYNV-AWEZNQCLSA-N 2 0 262.397 2.539 20 30 CFEDRP C=CCOCC[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626064026 354184231 /nfs/dbraw/zinc/18/42/31/354184231.db2.gz ZJJUWQRRZJPKSS-UHFFFAOYSA-N 2 0 276.424 2.773 20 30 CFEDRP C(#CC[N@@H+]1CC[C@@H]2CCC[C@H]21)C[NH+]1CC[C@@H]2CCC[C@@H]21 ZINC000671243433 540590665 /nfs/dbraw/zinc/59/06/65/540590665.db2.gz GQLBHLNBZJFZBG-XLAORIBOSA-N 2 0 272.436 2.739 20 30 CFEDRP N#Cc1cccc(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000423097214 238199504 /nfs/dbraw/zinc/19/95/04/238199504.db2.gz JEHSHLKUQSDUET-ROUUACIJSA-N 2 0 277.371 2.835 20 30 CFEDRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000423255789 238311991 /nfs/dbraw/zinc/31/19/91/238311991.db2.gz CTJZCHSPGQURDE-OLZOCXBDSA-N 2 0 275.371 2.738 20 30 CFEDRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000423436341 238456554 /nfs/dbraw/zinc/45/65/54/238456554.db2.gz LRTQLZGNQNAGEG-XNJJOIOASA-N 2 0 287.382 2.736 20 30 CFEDRP CC[NH+](CC)Cc1ccc(CNC(=[NH2+])NC(C)(C)C)cc1 ZINC000264064824 383692653 /nfs/dbraw/zinc/69/26/53/383692653.db2.gz DSQJAIWNQXUJEZ-UHFFFAOYSA-N 2 0 290.455 2.731 20 30 CFEDRP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093452469 375244231 /nfs/dbraw/zinc/24/42/31/375244231.db2.gz GKXCEKGOZAWNOB-YESZJQIVSA-N 2 0 269.392 2.569 20 30 CFEDRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(C#N)c1 ZINC000093515677 375261834 /nfs/dbraw/zinc/26/18/34/375261834.db2.gz MGEQQNUGKYCFMB-YOEHRIQHSA-N 2 0 271.408 2.959 20 30 CFEDRP CC(C)(C#N)CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000119687546 376452253 /nfs/dbraw/zinc/45/22/53/376452253.db2.gz OSLIINVMQAOWPN-OAHLLOKOSA-N 2 0 263.429 2.734 20 30 CFEDRP C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(C#N)cc3F)CC[C@@H]21 ZINC000129110297 377385782 /nfs/dbraw/zinc/38/57/82/377385782.db2.gz UPJVTLAGQOIFKK-WBVHZDCISA-N 2 0 287.382 2.613 20 30 CFEDRP C=CCOCC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000679578822 542211202 /nfs/dbraw/zinc/21/12/02/542211202.db2.gz ZPPCQQXHBZQVAY-DOTOQJQBSA-N 2 0 280.456 2.822 20 30 CFEDRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135227978 378101228 /nfs/dbraw/zinc/10/12/28/378101228.db2.gz BHFVBLQORRZVSV-HNNXBMFYSA-N 2 0 285.435 2.871 20 30 CFEDRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(C#N)c(F)c1 ZINC000335500186 379407958 /nfs/dbraw/zinc/40/79/58/379407958.db2.gz NXKOZDFKIBSGKM-GWMXKSKGSA-N 2 0 261.344 2.618 20 30 CFEDRP C#C[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000289579798 381053845 /nfs/dbraw/zinc/05/38/45/381053845.db2.gz TWMNGKGOGVBSNO-ZOBUZTSGSA-N 2 0 256.393 2.651 20 30 CFEDRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC(C)(C)CCC#N)C1 ZINC000354107734 381083743 /nfs/dbraw/zinc/08/37/43/381083743.db2.gz SAYILSDLJWMQNM-MRXNPFEDSA-N 2 0 277.456 2.980 20 30 CFEDRP C[C@@H]([NH2+]CCCSCC#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185668243 381697675 /nfs/dbraw/zinc/69/76/75/381697675.db2.gz DXVLVPPIGGZSLT-CABCVRRESA-N 2 0 295.496 2.876 20 30 CFEDRP CN1CC[C@@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)[C@@H]1c1cccnc1 ZINC000373203368 381947375 /nfs/dbraw/zinc/94/73/75/381947375.db2.gz FVNNQTOJNSRZCR-SPUZQDLCSA-N 2 0 298.434 2.746 20 30 CFEDRP C=CCCCCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000376057383 382118154 /nfs/dbraw/zinc/11/81/54/382118154.db2.gz YWMRYKBTEQACAI-ROUUACIJSA-N 2 0 293.499 2.691 20 30 CFEDRP C=CCOCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364352144 382313606 /nfs/dbraw/zinc/31/36/06/382313606.db2.gz IYQXDWXBJRTVAE-FUHWJXTLSA-N 2 0 288.435 2.689 20 30 CFEDRP C=CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000680481556 542329347 /nfs/dbraw/zinc/32/93/47/542329347.db2.gz NCXUXZDPIZQQRQ-UHFFFAOYSA-N 2 0 274.408 2.777 20 30 CFEDRP C=CCOc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])cc1OC ZINC000346666865 382462343 /nfs/dbraw/zinc/46/23/43/382462343.db2.gz DPMIFSBHLHKWBU-UHFFFAOYSA-N 2 0 292.423 2.677 20 30 CFEDRP C=CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000346848492 382542519 /nfs/dbraw/zinc/54/25/19/382542519.db2.gz DVAQAKAVTUKIOT-JQHSSLGASA-N 2 0 286.419 2.811 20 30 CFEDRP C=CCC[C@@H](O)C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367309826 382564247 /nfs/dbraw/zinc/56/42/47/382564247.db2.gz KZRYUPLAYUZUMN-NVXWUHKLSA-N 2 0 292.467 2.510 20 30 CFEDRP C=CCSCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000231930726 382867762 /nfs/dbraw/zinc/86/77/62/382867762.db2.gz WFBNVGALKRXKOH-SOUVJXGZSA-N 2 0 268.470 2.806 20 30 CFEDRP CCC[N@H+](Cc1ccc(C#N)c(OC)c1)C1CC[NH2+]CC1 ZINC000233074583 382870986 /nfs/dbraw/zinc/87/09/86/382870986.db2.gz LGBJSEZYBNIKFU-UHFFFAOYSA-N 2 0 287.407 2.531 20 30 CFEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442708660 382947054 /nfs/dbraw/zinc/94/70/54/382947054.db2.gz KIDNNNFUIXOUNW-BZUAXINKSA-N 2 0 263.429 2.780 20 30 CFEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442713765 382948058 /nfs/dbraw/zinc/94/80/58/382948058.db2.gz WXHCUEUHQQCHMH-PMPSAXMXSA-N 2 0 263.429 2.923 20 30 CFEDRP CC1CC[NH+](CCCC[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442717780 382949480 /nfs/dbraw/zinc/94/94/80/382949480.db2.gz OGPJEBNVBZSKLA-CVEARBPZSA-N 2 0 263.429 2.780 20 30 CFEDRP N#C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)C1 ZINC000442774685 382954156 /nfs/dbraw/zinc/95/41/56/382954156.db2.gz FELJLAIGSKTUTI-NVXWUHKLSA-N 2 0 275.440 2.923 20 30 CFEDRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCSCc1ccccc1C#N ZINC000422986026 382997865 /nfs/dbraw/zinc/99/78/65/382997865.db2.gz GJPMXTGCZONXCI-CHWSQXEVSA-N 2 0 277.437 2.507 20 30 CFEDRP CC[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000423357698 383062905 /nfs/dbraw/zinc/06/29/05/383062905.db2.gz SPCPZSQBKGXYRM-MRXNPFEDSA-N 2 0 255.365 2.519 20 30 CFEDRP CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(C#N)cc1 ZINC000423501346 383123986 /nfs/dbraw/zinc/12/39/86/383123986.db2.gz JLBZNZPGEAGTPK-BPUTZDHNSA-N 2 0 257.381 2.726 20 30 CFEDRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(C#N)c1 ZINC000423460380 383103917 /nfs/dbraw/zinc/10/39/17/383103917.db2.gz AVXJOHVZXLSUOD-DUVNUKRYSA-N 2 0 257.381 2.726 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000423468114 383107507 /nfs/dbraw/zinc/10/75/07/383107507.db2.gz JIGRLMDRYCYOQE-FRFSOERESA-N 2 0 269.392 2.653 20 30 CFEDRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(C#N)c(F)c1 ZINC000423472205 383109659 /nfs/dbraw/zinc/10/96/59/383109659.db2.gz MYKOUFGWCNCTLU-ZOWXZIJZSA-N 2 0 275.371 2.865 20 30 CFEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000246883128 383116956 /nfs/dbraw/zinc/11/69/56/383116956.db2.gz FBSJWBYALGGIEI-KZNAEPCWSA-N 2 0 293.499 2.757 20 30 CFEDRP N#Cc1csc(C[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000339500346 383218583 /nfs/dbraw/zinc/21/85/83/383218583.db2.gz ZXLJMEVBRYURTQ-UHFFFAOYSA-N 2 0 277.437 2.975 20 30 CFEDRP C=CC[C@@H](C)[C@@H](C)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635007122 383463517 /nfs/dbraw/zinc/46/35/17/383463517.db2.gz FBJOBUMUOHFCJN-ZIAGYGMSSA-N 2 0 274.412 2.504 20 30 CFEDRP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)ccc1C#N ZINC000572764087 383814578 /nfs/dbraw/zinc/81/45/78/383814578.db2.gz GMVZAZJRXHNEIU-MRXNPFEDSA-N 2 0 271.408 2.687 20 30 CFEDRP C[N@H+](CCCC[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC000453595755 383864917 /nfs/dbraw/zinc/86/49/17/383864917.db2.gz KRVIRPNPIVKTMJ-UHFFFAOYSA-N 2 0 263.410 2.584 20 30 CFEDRP C[C@H]([NH2+]C(C)(C)CNC(=[NH2+])NC(C)(C)C)c1ccccc1 ZINC000267452717 384395426 /nfs/dbraw/zinc/39/54/26/384395426.db2.gz RYMKNYUHQUOYAE-ZDUSSCGKSA-N 2 0 290.455 2.819 20 30 CFEDRP C#Cc1ccc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000289066495 197226724 /nfs/dbraw/zinc/22/67/24/197226724.db2.gz ACSOUYDDTKPIOX-IRXDYDNUSA-N 2 0 256.393 2.630 20 30 CFEDRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(C#N)c(F)c1 ZINC000271925618 385402707 /nfs/dbraw/zinc/40/27/07/385402707.db2.gz GKXPELVYLLNGRS-LBPRGKRZSA-N 2 0 263.360 2.690 20 30 CFEDRP C=CCCC[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346213583 393923471 /nfs/dbraw/zinc/92/34/71/393923471.db2.gz XWCNSQUJJZFPQV-UHFFFAOYSA-N 2 0 270.380 2.974 20 30 CFEDRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCCC#N)CC1 ZINC000346334330 393927482 /nfs/dbraw/zinc/92/74/82/393927482.db2.gz QVJCAUQMWJSNFY-HOCLYGCPSA-N 2 0 263.429 2.923 20 30 CFEDRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCCC#N)CC1 ZINC000346334329 393927539 /nfs/dbraw/zinc/92/75/39/393927539.db2.gz QVJCAUQMWJSNFY-GOEBONIOSA-N 2 0 263.429 2.923 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(C#N)c1 ZINC000423544609 394295907 /nfs/dbraw/zinc/29/59/07/394295907.db2.gz OOUWYJUHBUKKRE-WBQNTZJQSA-N 2 0 269.392 2.597 20 30 CFEDRP C=CCCCC[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000648416045 395135023 /nfs/dbraw/zinc/13/50/23/395135023.db2.gz ITBBUGQCIXCXMZ-INIZCTEOSA-N 2 0 281.488 2.737 20 30 CFEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1nc(C#N)cs1 ZINC000352824500 163243014 /nfs/dbraw/zinc/24/30/14/163243014.db2.gz QVZATFJYPXNPFX-CYBMUJFWSA-N 2 0 292.452 2.759 20 30 CFEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000657835163 413986463 /nfs/dbraw/zinc/98/64/63/413986463.db2.gz CYZKTGYDNGHARA-RCCFBDPRSA-N 2 0 293.499 2.737 20 30 CFEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000657835722 413986869 /nfs/dbraw/zinc/98/68/69/413986869.db2.gz YGSDNZHTDWPYDE-IRXDYDNUSA-N 2 0 293.499 2.737 20 30 CFEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000657835049 413988753 /nfs/dbraw/zinc/98/87/53/413988753.db2.gz RZOJPDFLYNUMTO-ZWKOTPCHSA-N 2 0 293.499 2.739 20 30 CFEDRP C=CCC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000658117366 414219104 /nfs/dbraw/zinc/21/91/04/414219104.db2.gz UXVBWTIUQGNSAQ-AWEZNQCLSA-N 2 0 262.397 2.854 20 30 CFEDRP Cc1nccn1CCCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185714264 262067902 /nfs/dbraw/zinc/06/79/02/262067902.db2.gz ONWISQSBPDWGNG-LSDHHAIUSA-N 2 0 260.385 2.644 20 30 CFEDRP CCCCCCC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000364256802 262191692 /nfs/dbraw/zinc/19/16/92/262191692.db2.gz ODJLKDCTGRYTCY-KRWDZBQOSA-N 2 0 281.488 2.669 20 30 CFEDRP C=CC[C@@H](CC)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000393810160 262193271 /nfs/dbraw/zinc/19/32/71/262193271.db2.gz SFKBDRFKBAPBOL-CQSZACIVSA-N 2 0 259.397 2.995 20 30 CFEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000354082225 262372945 /nfs/dbraw/zinc/37/29/45/262372945.db2.gz JNRQKAWMHWFQMC-MRXNPFEDSA-N 2 0 295.471 2.749 20 30 CFEDRP C=CCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000414814642 263053696 /nfs/dbraw/zinc/05/36/96/263053696.db2.gz ZNDLXPSDPMGUBV-DOTOQJQBSA-N 2 0 274.408 2.859 20 30 CFEDRP C=CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414816568 263054377 /nfs/dbraw/zinc/05/43/77/263054377.db2.gz QBACOGVEGPXLAD-XYPWUTKMSA-N 2 0 272.392 2.624 20 30 CFEDRP C=CCOc1cccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000414857678 263074341 /nfs/dbraw/zinc/07/43/41/263074341.db2.gz PZQXPDJJNSNXDU-ZBFHGGJFSA-N 2 0 274.408 2.729 20 30 CFEDRP [NH2+]=C(NCCC[NH+]1CCCCC1)Nc1cc(F)ccc1F ZINC000288635920 263105221 /nfs/dbraw/zinc/10/52/21/263105221.db2.gz BUPCLAVYVFOQQZ-UHFFFAOYSA-N 2 0 296.365 2.567 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1Cl ZINC000414954410 263159701 /nfs/dbraw/zinc/15/97/01/263159701.db2.gz KQELZFQJPCVFIJ-IUODEOHRSA-N 2 0 294.826 2.992 20 30 CFEDRP N#C[C@H]1CCC[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000340480539 263167416 /nfs/dbraw/zinc/16/74/16/263167416.db2.gz QSBMPPNABSSJBB-JKSUJKDBSA-N 2 0 263.429 2.924 20 30 CFEDRP C=CCOc1cccc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414987881 263184748 /nfs/dbraw/zinc/18/47/48/263184748.db2.gz FDEDVUIUUOFBIR-ZBFHGGJFSA-N 2 0 274.408 2.859 20 30 CFEDRP C=CCCC[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000341133843 263323547 /nfs/dbraw/zinc/32/35/47/263323547.db2.gz WXVQMNUJNLNUPK-SQNIBIBYSA-N 2 0 293.499 2.689 20 30 CFEDRP C=CCOCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000370359730 267311397 /nfs/dbraw/zinc/31/13/97/267311397.db2.gz VWYMOXHHVOHBGD-UHFFFAOYSA-N 2 0 266.429 2.576 20 30 CFEDRP C=CCOCC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000370359111 267311580 /nfs/dbraw/zinc/31/15/80/267311580.db2.gz SOLHHXVKSCYTMD-NVXWUHKLSA-N 2 0 280.456 2.822 20 30 CFEDRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000423311459 274214223 /nfs/dbraw/zinc/21/42/23/274214223.db2.gz TYFOUYINVWNWNR-LRDDRELGSA-N 2 0 257.381 2.510 20 30 CFEDRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000422974044 278268143 /nfs/dbraw/zinc/26/81/43/278268143.db2.gz QDVYETMGXUJRIR-HEHGZKQESA-N 2 0 257.381 2.597 20 30 CFEDRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000037649290 278351359 /nfs/dbraw/zinc/35/13/59/278351359.db2.gz FLLYNFUTGRDYAO-HIFRSBDPSA-N 2 0 269.392 2.693 20 30 CFEDRP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(C#N)cc1 ZINC000424381074 288066902 /nfs/dbraw/zinc/06/69/02/288066902.db2.gz YEKUEJMTJQMSSY-OWCLPIDISA-N 2 0 257.381 2.869 20 30 CFEDRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000336224631 289380290 /nfs/dbraw/zinc/38/02/90/289380290.db2.gz SPAFYIWMZOMNQK-PYBGIAKNSA-N 2 0 263.429 2.921 20 30 CFEDRP N#Cc1ccccc1CSCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000582072633 325174444 /nfs/dbraw/zinc/17/44/44/325174444.db2.gz BPEJMEQSJQJCAN-HZPDHXFCSA-N 2 0 289.448 2.651 20 30 CFEDRP CC#CCN(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000582730882 329132352 /nfs/dbraw/zinc/13/23/52/329132352.db2.gz NTVAUBDFNFORNY-OAHLLOKOSA-N 2 0 276.449 2.834 20 30 CFEDRP C=CC[N@@H+](Cc1ccccc1F)CC1CC[NH2+]CC1 ZINC000178963175 329203343 /nfs/dbraw/zinc/20/33/43/329203343.db2.gz OLBYZNRTVXWHSR-UHFFFAOYSA-N 2 0 262.372 2.813 20 30 CFEDRP C=C(C)CN1CCC([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000181717221 329235863 /nfs/dbraw/zinc/23/58/63/329235863.db2.gz CMUPLYLSCOLOIF-BBWFWOEESA-N 2 0 292.467 2.820 20 30 CFEDRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185772632 329331439 /nfs/dbraw/zinc/33/14/39/329331439.db2.gz OZZXJLZDGQTGOU-HOCLYGCPSA-N 2 0 263.429 2.779 20 30 CFEDRP CCCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185799333 329332116 /nfs/dbraw/zinc/33/21/16/329332116.db2.gz PJALTOSXLVZLFF-GOEBONIOSA-N 2 0 263.429 2.923 20 30 CFEDRP C(#Cc1ccccc1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000191943552 329422540 /nfs/dbraw/zinc/42/25/40/329422540.db2.gz MFQHDFFTQNWRSL-UHFFFAOYSA-N 2 0 282.431 2.846 20 30 CFEDRP C=CCOc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422906784 330159798 /nfs/dbraw/zinc/15/97/98/330159798.db2.gz KJFMKEXQIQGWTD-GOEBONIOSA-N 2 0 274.408 2.859 20 30 CFEDRP C=C(C)CN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422976691 330162347 /nfs/dbraw/zinc/16/23/47/330162347.db2.gz IQPROECMIYQPFC-FGTMMUONSA-N 2 0 291.483 2.537 20 30 CFEDRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1CCC(C#N)CC1 ZINC000423102722 330170348 /nfs/dbraw/zinc/17/03/48/330170348.db2.gz ORNLXLMOBQATKT-AGERRDQYSA-N 2 0 285.435 2.864 20 30 CFEDRP CC(C)(CC#N)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423171630 330174547 /nfs/dbraw/zinc/17/45/47/330174547.db2.gz PGWPXQKDRSNFQX-YJBOKZPZSA-N 2 0 299.418 2.772 20 30 CFEDRP C[C@@H](C[NH3+])C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423310293 330189411 /nfs/dbraw/zinc/18/94/11/330189411.db2.gz RRWUWHQUISXANJ-OOHWJJMZSA-N 2 0 271.408 2.575 20 30 CFEDRP C#C[C@H](CC)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309787083 333049372 /nfs/dbraw/zinc/04/93/72/333049372.db2.gz NIJMCAGQSGIMNH-CGTJXYLNSA-N 2 0 270.420 2.898 20 30 CFEDRP C=CCC[C@@H](CCC)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186588182 333163319 /nfs/dbraw/zinc/16/33/19/333163319.db2.gz GGXSBXJVTWSBHF-DLBZAZTESA-N 2 0 281.488 2.737 20 30 CFEDRP CC(C)(CCC#N)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000174281337 335151884 /nfs/dbraw/zinc/15/18/84/335151884.db2.gz IHZMIOMJHIRZAT-UHFFFAOYSA-N 2 0 263.429 2.780 20 30 CFEDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000175012240 335171270 /nfs/dbraw/zinc/17/12/70/335171270.db2.gz GRXXAWWBSLBVGL-ZIAGYGMSSA-N 2 0 251.418 2.779 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000134412776 334090050 /nfs/dbraw/zinc/09/00/50/334090050.db2.gz OWTZIRJOICMHQQ-PBHICJAKSA-N 2 0 274.408 2.681 20 30 CFEDRP C=CCOc1ccc(C[N@H+](C)CCC[NH3+])cc1Cl ZINC000576464320 335207259 /nfs/dbraw/zinc/20/72/59/335207259.db2.gz FLPRRICKNLHBFR-UHFFFAOYSA-N 2 0 268.788 2.685 20 30 CFEDRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(C#N)cc1F ZINC000423383676 533999557 /nfs/dbraw/zinc/99/95/57/533999557.db2.gz KNZAWZPDGYDINH-DRZSPHRISA-N 2 0 261.344 2.618 20 30 CFEDRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245414269 521713334 /nfs/dbraw/zinc/71/33/34/521713334.db2.gz CDSJWBQLWILIMT-WMLDXEAASA-N 2 0 271.408 2.720 20 30 CFEDRP C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)C[NH+]1CCCC1 ZINC000062077865 524495973 /nfs/dbraw/zinc/49/59/73/524495973.db2.gz FMXCQFOLRUQTJS-CABCVRRESA-N 2 0 271.408 2.941 20 30 CFEDRP C=CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000347051779 526868361 /nfs/dbraw/zinc/86/83/61/526868361.db2.gz RDUIMIXXTOWWCS-ZBFHGGJFSA-N 2 0 274.408 2.811 20 30 CFEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)C#N)[C@H](C)C1 ZINC000347198371 528667383 /nfs/dbraw/zinc/66/73/83/528667383.db2.gz LKSNCBLPMSJOLS-CVEARBPZSA-N 2 0 295.471 2.653 20 30 CFEDRP CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423280018 529168290 /nfs/dbraw/zinc/16/82/90/529168290.db2.gz UBLCAIYEJWMPLZ-NVXWUHKLSA-N 2 0 271.408 2.989 20 30 CFEDRP C(#CC[N@@H+]1CCC[C@@H]1C1CC1)C[NH+]1CCC[C@H]1C1CC1 ZINC000671240706 545558710 /nfs/dbraw/zinc/55/87/10/545558710.db2.gz LZZAXMDYQPDPQT-HDICACEKSA-N 2 0 272.436 2.739 20 30 CFEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000728713156 574105698 /nfs/dbraw/zinc/10/56/98/574105698.db2.gz PNJUGJFGFDGNDO-HNNXBMFYSA-N 2 0 287.407 2.553 20 30 CFEDRP C#CC[NH+](CC)Cc1cccc(C[N@H+](CC)CC#C)c1 ZINC000746457071 574149206 /nfs/dbraw/zinc/14/92/06/574149206.db2.gz VPBAKVMLYDOPNR-UHFFFAOYSA-N 2 0 268.404 2.597 20 30 CFEDRP C#CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000733326286 574221817 /nfs/dbraw/zinc/22/18/17/574221817.db2.gz UNOHVZLWGGTYCZ-QGZVFWFLSA-N 2 0 286.419 2.519 20 30 CFEDRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000925608165 618301569 /nfs/dbraw/zinc/30/15/69/618301569.db2.gz ZVMZIGBEVOXDIB-LSDHHAIUSA-N 2 0 257.381 2.554 20 30 CFEDRP COc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1C#N ZINC000925615048 618317750 /nfs/dbraw/zinc/31/77/50/618317750.db2.gz DTVDRLBQUHTLCX-CABCVRRESA-N 2 0 287.407 2.562 20 30 CFEDRP CCN(Cc1ccccc1)c1ccc(C=NNC(N)=[NH2+])cc1 ZINC000309792859 618774865 /nfs/dbraw/zinc/77/48/65/618774865.db2.gz SBDIXHSCQKEGEH-UHFFFAOYSA-N 2 0 295.390 2.530 20 30 CFEDRP C#C[C@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)C(C)C ZINC000894387907 619363599 /nfs/dbraw/zinc/36/35/99/619363599.db2.gz XUPAOZNIPMFBAM-INIZCTEOSA-N 2 0 250.430 2.744 20 30 CFEDRP C[C@H](CNC(=[NH2+])NC1CCCCCC1)[NH+]1CCC(C)CC1 ZINC000305738638 619991588 /nfs/dbraw/zinc/99/15/88/619991588.db2.gz AKWRUIHEIOHGAU-OAHLLOKOSA-N 2 0 294.487 2.734 20 30 CFEDRP C=CC(C)(C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000898456900 620466890 /nfs/dbraw/zinc/46/68/90/620466890.db2.gz IARXROFSVSQWFS-UHFFFAOYSA-N 2 0 262.397 2.681 20 30 CFEDRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000902389473 621062156 /nfs/dbraw/zinc/06/21/56/621062156.db2.gz YEMZHMWIULRWIQ-CQSZACIVSA-N 2 0 275.371 2.565 20 30 CFEDRP CC[C@@H]([NH2+]CCCC[NH+](C)C)c1cccc(C#N)c1 ZINC000902780191 621172423 /nfs/dbraw/zinc/17/24/23/621172423.db2.gz CFGIMYFPKCROMO-MRXNPFEDSA-N 2 0 259.397 2.941 20 30 CFEDRP CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1cccc(C#N)c1 ZINC000902998725 621224361 /nfs/dbraw/zinc/22/43/61/621224361.db2.gz HOWWYIZXDPUIJM-CZUORRHYSA-N 2 0 259.397 2.797 20 30 CFEDRP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cc(C#N)ccn1 ZINC000903078704 621244744 /nfs/dbraw/zinc/24/47/44/621244744.db2.gz AXWFERBEPSCZRP-KTAKPFMOSA-N 2 0 286.423 2.867 20 30 CFEDRP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000903422637 621378967 /nfs/dbraw/zinc/37/89/67/621378967.db2.gz HCISNBBYOXBHDR-LLVKDONJSA-N 2 0 277.799 2.771 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000903425128 621379598 /nfs/dbraw/zinc/37/95/98/621379598.db2.gz TYZPMBZYSUYHMI-HOCLYGCPSA-N 2 0 271.408 2.734 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000903425060 621379630 /nfs/dbraw/zinc/37/96/30/621379630.db2.gz QGFBMHCOLUPFQW-UHFFFAOYSA-N 2 0 259.397 2.592 20 30 CFEDRP Cc1cc(C#N)cc(C)c1CN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000903424839 621379913 /nfs/dbraw/zinc/37/99/13/621379913.db2.gz IOBOREFVCVMEGC-SJKOYZFVSA-N 2 0 271.408 2.734 20 30 CFEDRP C[C@@H]1CCC[N@H+](CC2CCC(C#N)CC2)[C@@H]1CC[NH3+] ZINC000903460619 621381164 /nfs/dbraw/zinc/38/11/64/621381164.db2.gz FRWDTQSTPMTLIQ-PRLABOORSA-N 2 0 263.429 2.766 20 30 CFEDRP C[C@@H]1C[N@H+](Cc2cc(Cl)cc(C#N)c2)C[C@H]1CC[NH3+] ZINC000903498959 621394004 /nfs/dbraw/zinc/39/40/04/621394004.db2.gz OYHRIJHIHRLGCF-BXUZGUMPSA-N 2 0 277.799 2.628 20 30 CFEDRP N#CC1(CCCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)CCC1 ZINC000903744421 621435482 /nfs/dbraw/zinc/43/54/82/621435482.db2.gz RZDMIDGNGHOFSP-UHFFFAOYSA-N 2 0 275.440 2.926 20 30 CFEDRP N#CC1(CCCCN2C[C@H]3CCC[C@]3([NH3+])C2)CCC1 ZINC000903770279 621438023 /nfs/dbraw/zinc/43/80/23/621438023.db2.gz WHXUXVUJDGQNLW-ZBFHGGJFSA-N 2 0 261.413 2.664 20 30 CFEDRP C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(C#N)c1 ZINC000903950168 621486878 /nfs/dbraw/zinc/48/68/78/621486878.db2.gz JFRONPFVNOQQRM-IICXIOTHSA-N 2 0 269.392 2.739 20 30 CFEDRP C=CCOc1ccccc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903977723 621494076 /nfs/dbraw/zinc/49/40/76/621494076.db2.gz XSMCUAHNDKCFGB-HUUCEWRRSA-N 2 0 274.408 2.668 20 30 CFEDRP C#CCSCC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000181101082 625066257 /nfs/dbraw/zinc/06/62/57/625066257.db2.gz WDJMYMCHCLRTSS-WBVHZDCISA-N 2 0 294.508 2.986 20 30 CFEDRP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000834887973 625910815 /nfs/dbraw/zinc/91/08/15/625910815.db2.gz BFIUJHOLTBNDDR-IPMKNSEASA-N 2 0 298.430 2.661 20 30 CFEDRP C#C[C@@H](C)[NH+](C)Cc1ccc(C[N@@H+](C)[C@H](C)C#C)cc1 ZINC000769961494 625933777 /nfs/dbraw/zinc/93/37/77/625933777.db2.gz LCWNWWGLVONSEU-HZPDHXFCSA-N 2 0 268.404 2.594 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000921780299 626120484 /nfs/dbraw/zinc/12/04/84/626120484.db2.gz PFZHWLPFDJHEFL-GDBMZVCRSA-N 2 0 271.408 2.747 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000922225491 626245056 /nfs/dbraw/zinc/24/50/56/626245056.db2.gz SBNJCZHUXPWUHX-IYBDPMFKSA-N 2 0 271.408 2.605 20 30 CFEDRP Cc1ccc(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1C#N ZINC000922760271 626359831 /nfs/dbraw/zinc/35/98/31/626359831.db2.gz QZSBPLODVBLIIZ-MRXNPFEDSA-N 2 0 271.408 2.829 20 30 CFEDRP C#CCC[NH+]1CCN(c2c(C)c[nH+]c3c(C)cccc32)CC1 ZINC000765034165 627114741 /nfs/dbraw/zinc/11/47/41/627114741.db2.gz PZTFGWBXDLXCKF-UHFFFAOYSA-N 2 0 293.414 2.997 20 30 CFEDRP C#Cc1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000787771668 629033807 /nfs/dbraw/zinc/03/38/07/629033807.db2.gz SKWJUQQRGPSKCH-PBHICJAKSA-N 2 0 256.393 2.582 20 30 CFEDRP C=CC[N@H+](Cc1cccc(C#N)c1)CC1CC[NH+](C)CC1 ZINC000788477353 629072986 /nfs/dbraw/zinc/07/29/86/629072986.db2.gz WIPZYHCNQMJHMO-UHFFFAOYSA-N 2 0 283.419 2.888 20 30 CFEDRP C=CCCCCC[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000793532094 629563678 /nfs/dbraw/zinc/56/36/78/629563678.db2.gz FJYAUUNRASWYFP-HNNXBMFYSA-N 2 0 268.445 2.558 20 30 CFEDRP C[C@H](C#N)OCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000801915626 630487160 /nfs/dbraw/zinc/48/71/60/630487160.db2.gz SXUDUWKXSOVOFS-MRXNPFEDSA-N 2 0 293.455 2.503 20 30 CFEDRP C#CCOc1ccc(C[N@H+](CCC)CCC[NH+](C)C)cc1 ZINC000809757395 631282725 /nfs/dbraw/zinc/28/27/25/631282725.db2.gz RTLFWTCBQDMATH-UHFFFAOYSA-N 2 0 288.435 2.862 20 30 CFEDRP C#CCOc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000809766812 631285198 /nfs/dbraw/zinc/28/51/98/631285198.db2.gz BCXJJFCNQNPJGL-IEBWSBKVSA-N 2 0 298.430 2.615 20 30 CFEDRP N#CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000817918232 632733266 /nfs/dbraw/zinc/73/32/66/632733266.db2.gz KFIQFTIEILZWFI-RCCFBDPRSA-N 2 0 299.418 2.599 20 30 CFEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000817919689 632734518 /nfs/dbraw/zinc/73/45/18/632734518.db2.gz UDNGCGNBDSTVOU-GZBFAFLISA-N 2 0 275.396 2.583 20 30 CFEDRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(OCC#N)cc1 ZINC000817966935 632766862 /nfs/dbraw/zinc/76/68/62/632766862.db2.gz ZQESTINYTSTBPZ-RHSMWYFYSA-N 2 0 287.407 2.629 20 30 CFEDRP N#Cc1ccc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)o1 ZINC000873231779 642085161 /nfs/dbraw/zinc/08/51/61/642085161.db2.gz RWNVRVNCQBAXQT-HNNXBMFYSA-N 2 0 273.380 2.553 20 30 CFEDRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)C1CC[NH2+]CC1 ZINC000873269840 642111996 /nfs/dbraw/zinc/11/19/96/642111996.db2.gz UWGFSPKBEXJMPG-UONOGXRCSA-N 2 0 287.407 2.628 20 30 CFEDRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000873271892 642113626 /nfs/dbraw/zinc/11/36/26/642113626.db2.gz LLUKUTKVGPUXHW-NWDGAFQWSA-N 2 0 275.371 2.736 20 30 CFEDRP C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)C1CC[NH2+]CC1 ZINC000873271891 642113721 /nfs/dbraw/zinc/11/37/21/642113721.db2.gz LLAHBQWDLYMADW-UGSOOPFHSA-N 2 0 283.419 2.913 20 30 CFEDRP C=CCCCC[C@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291457 642123763 /nfs/dbraw/zinc/12/37/63/642123763.db2.gz HAFTWXIGVWNVTK-JKSUJKDBSA-N 2 0 280.456 2.870 20 30 CFEDRP C#CCCCCCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000876811242 643019304 /nfs/dbraw/zinc/01/93/04/643019304.db2.gz JBQACVKVVAMCHQ-RCCFBDPRSA-N 2 0 292.467 2.754 20 30 CFEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000877073753 643136539 /nfs/dbraw/zinc/13/65/39/643136539.db2.gz RPMHCQBJZZIENL-OAGGEKHMSA-N 2 0 293.455 2.548 20 30 CFEDRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877568711 643367717 /nfs/dbraw/zinc/36/77/17/643367717.db2.gz UYZWCSBCGLWKLZ-UHFFFAOYSA-N 2 0 294.830 2.817 20 30 CFEDRP CC(C)C[N@@H+](Cc1ccc(C#N)o1)CC1CC[NH+](C)CC1 ZINC000877767257 643546695 /nfs/dbraw/zinc/54/66/95/643546695.db2.gz DUKJMXJAKRXSDC-UHFFFAOYSA-N 2 0 289.423 2.951 20 30 CFEDRP C#CCCCCC[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000878162606 643769413 /nfs/dbraw/zinc/76/94/13/643769413.db2.gz HRRNIFHYMNWYJY-CVEARBPZSA-N 2 0 250.430 2.985 20 30 CFEDRP C#CCCCCC[N@@H+](C)C1CC[NH+](CCC)CC1 ZINC000878164386 643770841 /nfs/dbraw/zinc/77/08/41/643770841.db2.gz FWNUNZLPWULCQQ-UHFFFAOYSA-N 2 0 250.430 2.986 20 30 CFEDRP CCCCCCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCCCC1 ZINC000303865858 651004533 /nfs/dbraw/zinc/00/45/33/651004533.db2.gz BUWOXCGQOGRJRX-OAHLLOKOSA-N 2 0 282.476 2.593 20 30 CFEDRP C[C@H]1CCCN(C(=[NH2+])NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000303877494 651004944 /nfs/dbraw/zinc/00/49/44/651004944.db2.gz FIIVBTRJRJLRNW-HOCLYGCPSA-N 2 0 294.487 2.544 20 30 CFEDRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=[NH2+])NC1CCCCC1 ZINC000303874970 651005295 /nfs/dbraw/zinc/00/52/95/651005295.db2.gz DJALHYUTCMIRHC-OAHLLOKOSA-N 2 0 294.487 2.878 20 30 CFEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000303881632 651005798 /nfs/dbraw/zinc/00/57/98/651005798.db2.gz HTJJLPJGNOXMMZ-LSDHHAIUSA-N 2 0 294.487 2.590 20 30 CFEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000303881470 651005941 /nfs/dbraw/zinc/00/59/41/651005941.db2.gz HTJJLPJGNOXMMZ-CABCVRRESA-N 2 0 294.487 2.590 20 30 CFEDRP CCCCCCNC(=[NH2+])NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000303895726 651007108 /nfs/dbraw/zinc/00/71/08/651007108.db2.gz PNRKJZYSFBBTEJ-MRXNPFEDSA-N 2 0 296.503 2.983 20 30 CFEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=[NH2+])N2CCCCC2)C1 ZINC000303908317 651009091 /nfs/dbraw/zinc/00/90/91/651009091.db2.gz XMUWXSOIWSGAES-HZPDHXFCSA-N 2 0 294.487 2.545 20 30 CFEDRP C=CCC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@@H]1CCCO1 ZINC000883163822 645633741 /nfs/dbraw/zinc/63/37/41/645633741.db2.gz MHKZQVQQEKQUPY-CABCVRRESA-N 2 0 268.445 2.678 20 30 CFEDRP C=CCC[C@H]([NH2+]C1CC[NH+](CCC)CC1)[C@@H]1CCCO1 ZINC000883166780 645635291 /nfs/dbraw/zinc/63/52/91/645635291.db2.gz IRECEJUGRVABCZ-IRXDYDNUSA-N 2 0 280.456 2.964 20 30 CFEDRP C=CCC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)[C@@H]1CCCO1 ZINC000883186198 645648019 /nfs/dbraw/zinc/64/80/19/645648019.db2.gz NJHIGDKCVCGVBQ-SJORKVTESA-N 2 0 280.456 2.822 20 30 CFEDRP C=C(C)CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000304759374 651033039 /nfs/dbraw/zinc/03/30/39/651033039.db2.gz RBEDLPZRKRWAEG-MRXNPFEDSA-N 2 0 292.471 2.512 20 30 CFEDRP Cc1cccc(NC(=[NH2+])NCC[N@@H+](C)C2CCCC2)c1 ZINC000304757992 651033152 /nfs/dbraw/zinc/03/31/52/651033152.db2.gz PMRPROFQKJRTDN-UHFFFAOYSA-N 2 0 274.412 2.596 20 30 CFEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=[NH2+])N2CCCCCC2)C1 ZINC000305064545 651043810 /nfs/dbraw/zinc/04/38/10/651043810.db2.gz MJMVIXHJIGAMBL-HZPDHXFCSA-N 2 0 294.487 2.545 20 30 CFEDRP C#CCCC[NH+](C)[C@H]1CC[C@H]([N@H+](C)CCCC#C)CC1 ZINC000886389790 646994915 /nfs/dbraw/zinc/99/49/15/646994915.db2.gz XTQXILOWOVYWNS-IYARVYRRSA-N 2 0 274.452 2.988 20 30 CFEDRP C#CCCCCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887136196 647224613 /nfs/dbraw/zinc/22/46/13/647224613.db2.gz MKOZFZMNFXLJAH-INIZCTEOSA-N 2 0 271.408 2.786 20 30 CFEDRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000925655617 648265383 /nfs/dbraw/zinc/26/53/83/648265383.db2.gz SHUCURRRPNEOIN-WUCCLRPBSA-N 2 0 263.429 2.812 20 30 CFEDRP N#Cc1ccc(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925714325 648292798 /nfs/dbraw/zinc/29/27/98/648292798.db2.gz PZTZPPCNTVKQON-OALUTQOASA-N 2 0 297.446 2.859 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH+]2CCC([NH3+])(CC)CC2)cc1 ZINC000925757684 648309978 /nfs/dbraw/zinc/30/99/78/648309978.db2.gz VWIIBDOXXIYOKR-HNNXBMFYSA-N 2 0 286.419 2.963 20 30 CFEDRP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925779310 648319790 /nfs/dbraw/zinc/31/97/90/648319790.db2.gz WWQRRCDKGQVBNC-OLZOCXBDSA-N 2 0 260.372 2.956 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000925844598 648342047 /nfs/dbraw/zinc/34/20/47/648342047.db2.gz VNAOYWOALRHQRX-KFKAGJAMSA-N 2 0 298.430 2.881 20 30 CFEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926524775 648519787 /nfs/dbraw/zinc/51/97/87/648519787.db2.gz GLJXLMZHGTYWHL-XKQJLSEDSA-N 2 0 274.408 2.742 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000926962939 648673645 /nfs/dbraw/zinc/67/36/45/648673645.db2.gz AKCRUMTYHQCPKV-YOEHRIQHSA-N 2 0 271.408 2.687 20 30 CFEDRP C[C@H](CNC(=[NH2+])NC1CCCCCC1)[N@@H+]1CCCC[C@@H]1C ZINC000305750605 651074827 /nfs/dbraw/zinc/07/48/27/651074827.db2.gz ZOYBNXBLAIJAAX-LSDHHAIUSA-N 2 0 294.487 2.876 20 30 CFEDRP C[C@@H](CNC(=[NH2+])NC1CCCCCC1)[N@@H+]1CCCC[C@H]1C ZINC000305750602 651074896 /nfs/dbraw/zinc/07/48/96/651074896.db2.gz ZOYBNXBLAIJAAX-CABCVRRESA-N 2 0 294.487 2.876 20 30 CFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000692273278 770248621 /nfs/dbraw/zinc/24/86/21/770248621.db2.gz RFXHBHHNRICJCM-VEJQYAPMSA-N 2 0 260.425 2.707 20 30 CFEDRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(S)CC1 ZINC001167838364 776590464 /nfs/dbraw/zinc/59/04/64/776590464.db2.gz TZVNGFBAGOSLQD-CYBMUJFWSA-N 2 0 258.475 2.891 20 30 CFEDRP C=CCOc1cccc(C[NH+]2CCC3(C[NH+](C)C3)CC2)c1 ZINC001231624556 777284195 /nfs/dbraw/zinc/28/41/95/777284195.db2.gz PQKSJMRSEUJTJA-UHFFFAOYSA-N 2 0 286.419 2.779 20 30 CFEDRP Cc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c(C#N)c1 ZINC001232966048 777740851 /nfs/dbraw/zinc/74/08/51/777740851.db2.gz DMUQWFODUVQGBJ-UHFFFAOYSA-N 2 0 271.408 2.640 20 30 CFEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(-n2cc(C[NH3+])cn2)cc1 ZINC001168262300 778279565 /nfs/dbraw/zinc/27/95/65/778279565.db2.gz ZVHRCFMZWJACJA-QGZVFWFLSA-N 2 0 282.391 2.654 20 30 CFEDRP N#Cc1cccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235232255 778423951 /nfs/dbraw/zinc/42/39/51/778423951.db2.gz WWROWTVNECGVQR-SFHVURJKSA-N 2 0 283.419 2.912 20 30 CFEDRP N#Cc1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)s1 ZINC001235242747 778429648 /nfs/dbraw/zinc/42/96/48/778429648.db2.gz UOXAFGNZEBLXBO-MRXNPFEDSA-N 2 0 289.448 2.974 20 30 CFEDRP CCCCCCCC[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001235368118 778470810 /nfs/dbraw/zinc/47/08/10/778470810.db2.gz LOPVAWMXUBUCPD-GVDBMIGSSA-N 2 0 280.456 2.800 20 30 CFEDRP C#Cc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235422473 778485724 /nfs/dbraw/zinc/48/57/24/778485724.db2.gz DBTHBIUENOZRGV-RTBURBONSA-N 2 0 282.431 2.880 20 30 CFEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC001235929475 778613950 /nfs/dbraw/zinc/61/39/50/778613950.db2.gz PWPJUABILYKWJY-ZACQAIPSSA-N 2 0 260.425 2.830 20 30 CFEDRP C=C(C)COc1ccccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235943918 778620650 /nfs/dbraw/zinc/62/06/50/778620650.db2.gz ZYIPCWYSHULRPW-DOTOQJQBSA-N 2 0 286.419 2.683 20 30 CFEDRP C=CCCSCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000696072063 778829295 /nfs/dbraw/zinc/82/92/95/778829295.db2.gz FQBOXEANRPLDJX-AGUYFDCRSA-N 2 0 254.443 2.511 20 30 CFEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC001236820335 778953845 /nfs/dbraw/zinc/95/38/45/778953845.db2.gz QPZSJSSUNQEBJS-YYIAUSFCSA-N 2 0 260.425 2.958 20 30 CFEDRP CCCCCCCN(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001236922187 778981366 /nfs/dbraw/zinc/98/13/66/778981366.db2.gz DTSMCDIZQYUFER-MRXNPFEDSA-N 2 0 269.477 2.572 20 30 CFEDRP N#CCC[N@H+](CC[C@@H]1C[NH2+]CCO1)C1CCCCCCC1 ZINC001235663844 779367550 /nfs/dbraw/zinc/36/75/50/779367550.db2.gz LZCWMTDJIFRZQU-QGZVFWFLSA-N 2 0 293.455 2.693 20 30 CFEDRP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(C#N)cc1 ZINC000594511162 349435566 /nfs/dbraw/zinc/43/55/66/349435566.db2.gz RNDVTDVXGUNVBP-UAGQMJEPSA-N 2 0 271.408 2.939 20 30 CFEDRP N#Cc1ccc(C2([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CCC2)cc1 ZINC000594584708 349451544 /nfs/dbraw/zinc/45/15/44/349451544.db2.gz DMGAQJMWFHTYAX-XYJFISCASA-N 2 0 295.430 2.915 20 30 CFEDRP C[C@@H]1C[C@H](C[NH2+]C(C)(C)c2cccc(C#N)c2)CC[NH2+]1 ZINC000594736626 349484913 /nfs/dbraw/zinc/48/49/13/349484913.db2.gz TWUOLMXDDLTAIK-UKRRQHHQSA-N 2 0 271.408 2.771 20 30 CFEDRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594921093 349508346 /nfs/dbraw/zinc/50/83/46/349508346.db2.gz BAKUWEATWXCZLA-INIZCTEOSA-N 2 0 283.419 2.673 20 30 CFEDRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594936159 349518553 /nfs/dbraw/zinc/51/85/53/349518553.db2.gz UGMQDJPBAOOKEJ-UHFFFAOYSA-N 2 0 281.403 2.593 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(C#N)cc2)[C@H]2CCC[C@H]21 ZINC000595055988 349567490 /nfs/dbraw/zinc/56/74/90/349567490.db2.gz ODGAIDDKUQRAKL-FGTMMUONSA-N 2 0 283.419 2.563 20 30 CFEDRP N#Cc1ccc(CC[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000595055819 349567525 /nfs/dbraw/zinc/56/75/25/349567525.db2.gz JXFSNSOAMHFFCV-UHFFFAOYSA-N 2 0 283.419 2.565 20 30 CFEDRP C[N@H+](CCC[NH+]1CCCC1)CCc1ccc(C#N)cc1 ZINC000595473424 349637570 /nfs/dbraw/zinc/63/75/70/349637570.db2.gz KGPZVIDXFDWCHB-UHFFFAOYSA-N 2 0 271.408 2.518 20 30 CFEDRP C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(C#N)cc1F)C2 ZINC000595508210 349645755 /nfs/dbraw/zinc/64/57/55/349645755.db2.gz VNIDTSFBAROUGD-QGZVFWFLSA-N 2 0 287.382 2.615 20 30 CFEDRP C[NH2+]C[C@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595894754 349763023 /nfs/dbraw/zinc/76/30/23/349763023.db2.gz WTBUUZBZSXJPHD-GFCCVEGCSA-N 2 0 297.324 2.618 20 30 CFEDRP C[C@@H]1CCC[N@H+](CCc2ccc(C#N)cc2)[C@H]1CC[NH3+] ZINC000595896631 349764144 /nfs/dbraw/zinc/76/41/44/349764144.db2.gz SLOHWTNVAUNONO-PBHICJAKSA-N 2 0 271.408 2.550 20 30 CFEDRP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423203327 529620934 /nfs/dbraw/zinc/62/09/34/529620934.db2.gz CFDGLCNRNHXNRU-HOCLYGCPSA-N 2 0 257.381 2.599 20 30 CFEDRP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423203329 529614274 /nfs/dbraw/zinc/61/42/74/529614274.db2.gz CFDGLCNRNHXNRU-ZBFHGGJFSA-N 2 0 257.381 2.599 20 30 CFEDRP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000036991807 346325772 /nfs/dbraw/zinc/32/57/72/346325772.db2.gz RSTGYGHRWXLGHZ-UONOGXRCSA-N 2 0 271.408 2.939 20 30 CFEDRP N#Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000596650213 349968248 /nfs/dbraw/zinc/96/82/48/349968248.db2.gz JLXHMENPJLGQOW-RCCFBDPRSA-N 2 0 283.419 2.611 20 30 CFEDRP N#Cc1ccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000596650039 349968292 /nfs/dbraw/zinc/96/82/92/349968292.db2.gz HWCCIDBSERFAFB-QZTJIDSGSA-N 2 0 277.371 2.835 20 30 CFEDRP C=CCCSCC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000596650025 349968831 /nfs/dbraw/zinc/96/88/31/349968831.db2.gz HVAPLRPOKCJFDG-LBPRGKRZSA-N 2 0 279.453 2.809 20 30 CFEDRP C=CCCSCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000596652385 349968927 /nfs/dbraw/zinc/96/89/27/349968927.db2.gz TTWIQTGUYMBELI-RRFJBIMHSA-N 2 0 268.470 2.806 20 30 CFEDRP C=CCC1([NH2+]C2CC[NH+](CCC)CC2)CCOCC1 ZINC000668552762 539572334 /nfs/dbraw/zinc/57/23/34/539572334.db2.gz SWJLVOMMEXRTHA-UHFFFAOYSA-N 2 0 266.429 2.576 20 30 CFEDRP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151284660 347961244 /nfs/dbraw/zinc/96/12/44/347961244.db2.gz CFMUIKYXJDRJGW-HNNXBMFYSA-N 2 0 292.386 2.836 20 30 CFEDRP C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1CC[NH3+] ZINC000404381767 348591596 /nfs/dbraw/zinc/59/15/96/348591596.db2.gz MRBYJACNOAXUPK-CZUORRHYSA-N 2 0 257.381 2.508 20 30 CFEDRP COc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])ccc1C#N ZINC000404374591 348591663 /nfs/dbraw/zinc/59/16/63/348591663.db2.gz KGUHUHWIGCADCF-BBRMVZONSA-N 2 0 287.407 2.516 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC000591582672 349032942 /nfs/dbraw/zinc/03/29/42/349032942.db2.gz SWBJPAYPITWVKL-DOTOQJQBSA-N 2 0 281.403 2.810 20 30 CFEDRP N#Cc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592986333 349181521 /nfs/dbraw/zinc/18/15/21/349181521.db2.gz ZVJNBYMURJRBOC-MSOLQXFVSA-N 2 0 283.419 2.770 20 30 CFEDRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000593324765 349247591 /nfs/dbraw/zinc/24/75/91/349247591.db2.gz ZPQYFUPTWZETFR-LBPRGKRZSA-N 2 0 275.371 2.738 20 30 CFEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598714159 350316122 /nfs/dbraw/zinc/31/61/22/350316122.db2.gz GCSPZYNXQCCSNK-CVEARBPZSA-N 2 0 295.471 2.531 20 30 CFEDRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000599071783 350371046 /nfs/dbraw/zinc/37/10/46/350371046.db2.gz SWIKSMHOZHEHNP-GDBMZVCRSA-N 2 0 271.408 2.941 20 30 CFEDRP Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1C#N ZINC000600708789 350599410 /nfs/dbraw/zinc/59/94/10/350599410.db2.gz GGNKVXBLMDJCNA-RHSMWYFYSA-N 2 0 271.408 2.816 20 30 CFEDRP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(C#N)cc1 ZINC000602022810 350834791 /nfs/dbraw/zinc/83/47/91/350834791.db2.gz VPVXQLUZYBQYIR-CJNGLKHVSA-N 2 0 271.408 2.987 20 30 CFEDRP C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000602477583 350898361 /nfs/dbraw/zinc/89/83/61/350898361.db2.gz TUIWZCZNTPQZPQ-HOTGVXAUSA-N 2 0 263.429 2.734 20 30 CFEDRP C[C@H](CCC#N)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000602481862 350901188 /nfs/dbraw/zinc/90/11/88/350901188.db2.gz BHZCFLXJFFGLHA-VYDXJSESSA-N 2 0 275.440 2.875 20 30 CFEDRP C[C@H](CCC#N)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000602481858 350901305 /nfs/dbraw/zinc/90/13/05/350901305.db2.gz BHZCFLXJFFGLHA-BFYDXBDKSA-N 2 0 275.440 2.875 20 30 CFEDRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CCC(C#N)CC1 ZINC000602502204 350907532 /nfs/dbraw/zinc/90/75/32/350907532.db2.gz JPWNNOHTIPFPRX-FHERZECASA-N 2 0 263.429 2.923 20 30 CFEDRP C[C@H](CCC#N)C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000602516868 350912508 /nfs/dbraw/zinc/91/25/08/350912508.db2.gz SHKPYJRGKKMGCG-OAHLLOKOSA-N 2 0 289.423 2.656 20 30 CFEDRP C[C@H](CCC#N)C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000602518780 350913125 /nfs/dbraw/zinc/91/31/25/350913125.db2.gz RWJLUZSCGHTIHW-HUUCEWRRSA-N 2 0 251.418 2.638 20 30 CFEDRP N#Cc1cccc(C[NH2+]CCCCC[NH+]2CCCCC2)n1 ZINC000602536470 350917659 /nfs/dbraw/zinc/91/76/59/350917659.db2.gz DPGDWUFBIQGHLU-UHFFFAOYSA-N 2 0 286.423 2.699 20 30 CFEDRP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000602449908 350888390 /nfs/dbraw/zinc/88/83/90/350888390.db2.gz UFOZRGZIMDRWGX-HNNXBMFYSA-N 2 0 265.445 2.978 20 30 CFEDRP C[C@@H](CCC#N)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000602473221 350896120 /nfs/dbraw/zinc/89/61/20/350896120.db2.gz DCIZCYNGPKJIRC-GJZGRUSLSA-N 2 0 251.418 2.732 20 30 CFEDRP C[C@H](CCC#N)C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000602661045 350965674 /nfs/dbraw/zinc/96/56/74/350965674.db2.gz BRNIZEKJAPZRJG-GDBMZVCRSA-N 2 0 263.429 2.590 20 30 CFEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000602704917 350989094 /nfs/dbraw/zinc/98/90/94/350989094.db2.gz HXKRCRAKXONAIM-HUUCEWRRSA-N 2 0 293.455 2.548 20 30 CFEDRP C[C@@H]([NH2+]CC1(CC#N)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000602812590 351035038 /nfs/dbraw/zinc/03/50/38/351035038.db2.gz UEZHJXMGPGBSSV-CABCVRRESA-N 2 0 275.440 2.923 20 30 CFEDRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392033 351680055 /nfs/dbraw/zinc/68/00/55/351680055.db2.gz FKLYZSCRUBIRPR-SUMWQHHRSA-N 2 0 271.408 2.865 20 30 CFEDRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391174 351680151 /nfs/dbraw/zinc/68/01/51/351680151.db2.gz YOBVIBWIYGUGNM-QAPCUYQASA-N 2 0 283.419 2.867 20 30 CFEDRP C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)C1CC[NH+](C)CC1 ZINC000611476170 351695667 /nfs/dbraw/zinc/69/56/67/351695667.db2.gz QKLBMCWTXYZKHL-CQSZACIVSA-N 2 0 283.419 2.867 20 30 CFEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000335020117 283192778 /nfs/dbraw/zinc/19/27/78/283192778.db2.gz ZAPRPLGGTNPAHU-CRAIPNDOSA-N 2 0 283.419 2.915 20 30 CFEDRP C=CC[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000154758841 540798353 /nfs/dbraw/zinc/79/83/53/540798353.db2.gz WWPFWJSTAOTCIV-UHFFFAOYSA-N 2 0 274.408 2.779 20 30 CFEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)CC2 ZINC000423416571 238449602 /nfs/dbraw/zinc/44/96/02/238449602.db2.gz CVGIUHXOQTZDHB-DEYYWGMASA-N 2 0 283.419 2.900 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc(C#N)c1 ZINC000423544607 238523035 /nfs/dbraw/zinc/52/30/35/238523035.db2.gz OOUWYJUHBUKKRE-NKKGCODLSA-N 2 0 269.392 2.597 20 30 CFEDRP Cc1cc(C[NH2+]CCN2CC=C(C)CC2)ccc1C#N ZINC000443998690 241104725 /nfs/dbraw/zinc/10/47/25/241104725.db2.gz QVLNPTYQZORYIT-UHFFFAOYSA-N 2 0 269.392 2.608 20 30 CFEDRP CC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000447560805 241385453 /nfs/dbraw/zinc/38/54/53/241385453.db2.gz FSGHCDDWYPTHKZ-KRWDZBQOSA-N 2 0 271.408 2.941 20 30 CFEDRP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)C[NH+]1CCCCC1 ZINC000037997649 372755781 /nfs/dbraw/zinc/75/57/81/372755781.db2.gz SINCEWCFOGCLRL-OAHLLOKOSA-N 2 0 271.408 2.770 20 30 CFEDRP CCc1cccc(CC)c1NC(=[NH2+])NCCCC[NH+](C)C ZINC000264105454 383696607 /nfs/dbraw/zinc/69/66/07/383696607.db2.gz PGXZFICEXOYMCU-UHFFFAOYSA-N 2 0 290.455 2.880 20 30 CFEDRP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])NCCC(C)C)c1 ZINC000264105334 383696583 /nfs/dbraw/zinc/69/65/83/383696583.db2.gz PDPMVMNWDURWGK-UHFFFAOYSA-N 2 0 290.455 2.589 20 30 CFEDRP Cc1ccc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCCC2)cc1C ZINC000104174463 375771619 /nfs/dbraw/zinc/77/16/19/375771619.db2.gz ILPJGFDOMYLECS-ZDUSSCGKSA-N 2 0 288.439 2.762 20 30 CFEDRP Cn1ccnc1CC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000105875775 375792786 /nfs/dbraw/zinc/79/27/86/375792786.db2.gz RSLGYNSPQXGCBC-UHFFFAOYSA-N 2 0 294.402 2.746 20 30 CFEDRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000135121858 378086149 /nfs/dbraw/zinc/08/61/49/378086149.db2.gz ONKSZLHCAIHRED-ZDUSSCGKSA-N 2 0 263.385 2.751 20 30 CFEDRP C=CC[NH+](CC=C)[C@@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000152066094 378389006 /nfs/dbraw/zinc/38/90/06/378389006.db2.gz FBSJWBYALGGIEI-KSZLIROESA-N 2 0 293.499 2.757 20 30 CFEDRP N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000335537443 379475209 /nfs/dbraw/zinc/47/52/09/379475209.db2.gz BWCHCMNBVSOPDW-DLBZAZTESA-N 2 0 269.392 2.522 20 30 CFEDRP N#Cc1ccc(C[NH2+]CCCCC[NH+]2CCCCC2)o1 ZINC000174386028 379875457 /nfs/dbraw/zinc/87/54/57/379875457.db2.gz KMAGXRPHUKKIAO-UHFFFAOYSA-N 2 0 275.396 2.897 20 30 CFEDRP C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(C#N)cc3Cl)C2)C1 ZINC000335918179 380105422 /nfs/dbraw/zinc/10/54/22/380105422.db2.gz CGSLVMTXOCHTGE-MRXNPFEDSA-N 2 0 289.810 2.739 20 30 CFEDRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(C#N)cc1F ZINC000358593595 380955834 /nfs/dbraw/zinc/95/58/34/380955834.db2.gz RRABVTNWZICPLL-LBPRGKRZSA-N 2 0 263.360 2.690 20 30 CFEDRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000342719574 381497144 /nfs/dbraw/zinc/49/71/44/381497144.db2.gz GKUJGJHUTNAXCK-CRAIPNDOSA-N 2 0 285.435 2.915 20 30 CFEDRP C=CCC[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000343447177 381715858 /nfs/dbraw/zinc/71/58/58/381715858.db2.gz SHMUHPDJONYAEB-UHFFFAOYSA-N 2 0 256.353 2.584 20 30 CFEDRP C[N@@H+](Cc1ccc(CC#N)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000343550731 381790139 /nfs/dbraw/zinc/79/01/39/381790139.db2.gz LBFXDINGNYBQIY-QGZVFWFLSA-N 2 0 271.408 2.526 20 30 CFEDRP CC(C)[NH+]1CCC([NH2+]CCc2cccc(C#N)c2)CC1 ZINC000343519281 381769736 /nfs/dbraw/zinc/76/97/36/381769736.db2.gz TUMNUUJWEJLLHX-UHFFFAOYSA-N 2 0 271.408 2.563 20 30 CFEDRP C=CC[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000349755426 381986816 /nfs/dbraw/zinc/98/68/16/381986816.db2.gz GCWSGCJGQZRREU-OIISXLGYSA-N 2 0 280.456 2.556 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000293238271 382041821 /nfs/dbraw/zinc/04/18/21/382041821.db2.gz BCSDUDHXSOGLGO-CABCVRRESA-N 2 0 274.408 2.547 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)[C@@H]2CCC[C@H]21 ZINC000375836215 382105494 /nfs/dbraw/zinc/10/54/94/382105494.db2.gz BNCUSQPIJUGNQO-OKZBNKHCSA-N 2 0 299.418 2.551 20 30 CFEDRP C=CCCCCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376057377 382118569 /nfs/dbraw/zinc/11/85/69/382118569.db2.gz YWMRYKBTEQACAI-MSOLQXFVSA-N 2 0 293.499 2.691 20 30 CFEDRP C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1cccc(C#N)c1 ZINC000344161622 382171260 /nfs/dbraw/zinc/17/12/60/382171260.db2.gz GULDYMMSIFRIQL-IGCXYCKISA-N 2 0 269.392 2.692 20 30 CFEDRP C=CCC[N@H+](C)CCCN1CCN(c2ccccc2)CC1 ZINC000352394528 382305841 /nfs/dbraw/zinc/30/58/41/382305841.db2.gz PNUIPIUUPMBJOM-UHFFFAOYSA-N 2 0 287.451 2.707 20 30 CFEDRP C=CCCCCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000365835531 382452889 /nfs/dbraw/zinc/45/28/89/382452889.db2.gz GGKBDKLKVVMQAY-YESZJQIVSA-N 2 0 280.456 2.916 20 30 CFEDRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCCC(C)(C)C#N)C2)C1 ZINC000366329271 382498492 /nfs/dbraw/zinc/49/84/92/382498492.db2.gz ZYNZHHSPGLGBSS-MRXNPFEDSA-N 2 0 263.429 2.734 20 30 CFEDRP C[C@H](C#N)Oc1ccc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000366488635 382519821 /nfs/dbraw/zinc/51/98/21/382519821.db2.gz JKFVRDLDGJZYBO-CRAIPNDOSA-N 2 0 299.418 2.505 20 30 CFEDRP C#CCN(C)CCC[NH2+][C@@H]1CCSc2ccccc21 ZINC000295061435 382571179 /nfs/dbraw/zinc/57/11/79/382571179.db2.gz REQLPLRWXXGHIL-OAHLLOKOSA-N 2 0 274.433 2.768 20 30 CFEDRP C=CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000346832695 382534431 /nfs/dbraw/zinc/53/44/31/382534431.db2.gz RMNYHLZDAIUXHL-CGTJXYLNSA-N 2 0 286.419 2.811 20 30 CFEDRP CC#CC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000189950282 382646752 /nfs/dbraw/zinc/64/67/52/382646752.db2.gz WYSANOGXDNKWRX-HOTGVXAUSA-N 2 0 270.420 2.756 20 30 CFEDRP C=CCOc1cccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000442924684 382963452 /nfs/dbraw/zinc/96/34/52/382963452.db2.gz SQIIOKUQKWYKSZ-HNNXBMFYSA-N 2 0 274.408 2.812 20 30 CFEDRP C=CCC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000338548221 383021605 /nfs/dbraw/zinc/02/16/05/383021605.db2.gz HAMGYTJVLYGAFM-UHFFFAOYSA-N 3 0 293.499 2.691 20 30 CFEDRP C[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)C[NH+]1CCCC1 ZINC000449090336 383171577 /nfs/dbraw/zinc/17/15/77/383171577.db2.gz NAWCDHYOGWOCOT-FHERZECASA-N 2 0 263.429 2.780 20 30 CFEDRP C=CCCCC[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000449079546 383165009 /nfs/dbraw/zinc/16/50/09/383165009.db2.gz ZFACRMYNLHTSSC-MSOLQXFVSA-N 2 0 295.515 2.983 20 30 CFEDRP C=CCC[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449698404 383362309 /nfs/dbraw/zinc/36/23/09/383362309.db2.gz NJAMZLXIOFDJIQ-CGTJXYLNSA-N 2 0 294.483 2.946 20 30 CFEDRP Cc1cc(CN(C)C[C@H]2CCC[N@H+](C)C2)ccc1C#N ZINC000488449244 383542478 /nfs/dbraw/zinc/54/24/78/383542478.db2.gz OYMKSVVTINEQEL-INIZCTEOSA-N 2 0 271.408 2.640 20 30 CFEDRP C[C@@H](CNC(=[NH2+])Nc1ccccc1)N(C)Cc1ccccc1 ZINC000267379639 384373908 /nfs/dbraw/zinc/37/39/08/384373908.db2.gz APUFELGLGSRFJI-HNNXBMFYSA-N 2 0 296.418 2.934 20 30 CFEDRP C#CCCOc1ccc(C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)cc1 ZINC000268139291 384540589 /nfs/dbraw/zinc/54/05/89/384540589.db2.gz SDFPOPRUSHEFSR-DNVCBOLYSA-N 2 0 298.430 2.661 20 30 CFEDRP C=CCOCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000645076736 385176250 /nfs/dbraw/zinc/17/62/50/385176250.db2.gz JLCYGNCHMVMOSB-UHFFFAOYSA-N 2 0 280.456 2.777 20 30 CFEDRP C#CCCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000271010212 385301614 /nfs/dbraw/zinc/30/16/14/385301614.db2.gz HTQWWZKAXWUSMI-SFHVURJKSA-N 2 0 270.420 2.854 20 30 CFEDRP C[N@H+](CCCCC(C)(C)C#N)C[C@@H]1CCC[NH+](C)C1 ZINC000336806289 262395765 /nfs/dbraw/zinc/39/57/65/262395765.db2.gz QJRFPAYGNAFYBG-HNNXBMFYSA-N 2 0 265.445 2.980 20 30 CFEDRP C[N@H+](CCCCC(C)(C)C#N)C[C@H]1CCC[NH+](C)C1 ZINC000336806290 262395708 /nfs/dbraw/zinc/39/57/08/262395708.db2.gz QJRFPAYGNAFYBG-OAHLLOKOSA-N 2 0 265.445 2.980 20 30 CFEDRP N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000334983410 393629959 /nfs/dbraw/zinc/62/99/59/393629959.db2.gz KAMCJXPHDAABDW-IAGOWNOFSA-N 2 0 269.392 2.522 20 30 CFEDRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000414172600 393797157 /nfs/dbraw/zinc/79/71/57/393797157.db2.gz FNINKNWURLRLBT-HOCLYGCPSA-N 2 0 271.408 2.941 20 30 CFEDRP N#CCCOCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000339050715 393813596 /nfs/dbraw/zinc/81/35/96/393813596.db2.gz KWETYHPVIIKMGV-UHFFFAOYSA-N 2 0 293.455 2.505 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000271915336 394024862 /nfs/dbraw/zinc/02/48/62/394024862.db2.gz BXYCOTBJCQNYPU-NVGCLXPQSA-N 2 0 287.382 2.831 20 30 CFEDRP C=CC[C@H]1[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CCCC1(C)C ZINC000660423582 413306600 /nfs/dbraw/zinc/30/66/00/413306600.db2.gz SJYZVIJCWWYHFA-HZPDHXFCSA-N 2 0 282.472 2.754 20 30 CFEDRP C[N@@H+]1CC[C@]2(C1)CCCN(CC#Cc1ccc(F)cc1)C2 ZINC000660659068 413477515 /nfs/dbraw/zinc/47/75/15/413477515.db2.gz KCDKVDHPIHEGFI-SFHVURJKSA-N 2 0 286.394 2.595 20 30 CFEDRP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000651719171 413590634 /nfs/dbraw/zinc/59/06/34/413590634.db2.gz KZBAURCKDJMORM-NUJGCVRESA-N 2 0 292.467 2.822 20 30 CFEDRP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000651733324 413597422 /nfs/dbraw/zinc/59/74/22/413597422.db2.gz DOUXGISBXUIADH-LAVFITLUSA-N 2 0 292.467 2.699 20 30 CFEDRP C=CC[C@@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000651732251 413597978 /nfs/dbraw/zinc/59/79/78/413597978.db2.gz OCHHXUKYFZEKMB-CVEARBPZSA-N 2 0 280.456 2.556 20 30 CFEDRP C=CC(C)(C)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657480990 413665126 /nfs/dbraw/zinc/66/51/26/413665126.db2.gz FHAJSHBZRXFSHG-UHFFFAOYSA-N 2 0 256.353 2.569 20 30 CFEDRP C#CCCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285670886 196360693 /nfs/dbraw/zinc/36/06/93/196360693.db2.gz UFGXZXDJOPYFIR-IBGZPJMESA-N 2 0 282.431 2.998 20 30 CFEDRP C=CCCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])CCCC1 ZINC000665236270 414191327 /nfs/dbraw/zinc/19/13/27/414191327.db2.gz JMSIAMZYILCWIK-OWCLPIDISA-N 2 0 280.456 2.855 20 30 CFEDRP C=CCOc1ccccc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655826820 414462157 /nfs/dbraw/zinc/46/21/57/414462157.db2.gz ZPFPDPBJEMYEIC-FZNQNYSPSA-N 2 0 274.408 2.681 20 30 CFEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000656197116 414531718 /nfs/dbraw/zinc/53/17/18/414531718.db2.gz GOHXBHMCMUMPLK-BRWVUGGUSA-N 2 0 279.472 2.545 20 30 CFEDRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCC(C)(C)C#N)C1 ZINC000174881100 261200887 /nfs/dbraw/zinc/20/08/87/261200887.db2.gz TUCKPZJFSIOCBJ-AWEZNQCLSA-N 2 0 251.418 2.590 20 30 CFEDRP C#CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C1CCCC1 ZINC000490933900 261253259 /nfs/dbraw/zinc/25/32/59/261253259.db2.gz GTMFYRQJLOOAGQ-UHFFFAOYSA-N 2 0 294.402 2.954 20 30 CFEDRP C[C@@H]1CCC[C@H](C)N1CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000361460219 261280219 /nfs/dbraw/zinc/28/02/19/261280219.db2.gz SXHUQJPFGUPRGD-FZKCQIBNSA-N 2 0 263.429 2.921 20 30 CFEDRP C[C@@H](CCC#N)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000411419535 262693141 /nfs/dbraw/zinc/69/31/41/262693141.db2.gz GWLZSUFSSJSFQJ-AWEZNQCLSA-N 2 0 251.418 2.732 20 30 CFEDRP C[NH+](C)CCCCCCCNC(=[NH2+])Nc1ccccc1 ZINC000264113316 262873776 /nfs/dbraw/zinc/87/37/76/262873776.db2.gz RPGGMQORKMBFBL-UHFFFAOYSA-N 2 0 276.428 2.925 20 30 CFEDRP N#C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000293943458 263152819 /nfs/dbraw/zinc/15/28/19/263152819.db2.gz BFKNTSOSUKNJQD-AKHDSKFASA-N 2 0 295.430 2.742 20 30 CFEDRP N#C[C@H]1CCC[C@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000340480537 263167436 /nfs/dbraw/zinc/16/74/36/263167436.db2.gz QSBMPPNABSSJBB-HOTGVXAUSA-N 2 0 263.429 2.924 20 30 CFEDRP C=CCOc1cccc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414987878 263184719 /nfs/dbraw/zinc/18/47/19/263184719.db2.gz FDEDVUIUUOFBIR-GOEBONIOSA-N 2 0 274.408 2.859 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000415050073 263255531 /nfs/dbraw/zinc/25/55/31/263255531.db2.gz BACDIZHODZKJHG-CQSZACIVSA-N 2 0 262.397 2.859 20 30 CFEDRP C=CCCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000356451457 266116765 /nfs/dbraw/zinc/11/67/65/266116765.db2.gz GWWXCUAJPJSCPI-UHFFFAOYSA-N 2 0 280.456 2.777 20 30 CFEDRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000521225618 266926075 /nfs/dbraw/zinc/92/60/75/266926075.db2.gz KDQCSVKLODBNCL-MRXNPFEDSA-N 2 0 257.381 2.523 20 30 CFEDRP C[N@H+](CCCCC#N)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367887928 267125048 /nfs/dbraw/zinc/12/50/48/267125048.db2.gz WVNKGWNXNLTHPG-UHFFFAOYSA-N 2 0 286.423 2.924 20 30 CFEDRP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000515124132 267221932 /nfs/dbraw/zinc/22/19/32/267221932.db2.gz YMNANXRNIYCBDG-WBVHZDCISA-N 2 0 271.408 2.941 20 30 CFEDRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000423389297 274377573 /nfs/dbraw/zinc/37/75/73/274377573.db2.gz JHAWCMHCXBTZCD-BVGQSLNGSA-N 2 0 283.419 2.913 20 30 CFEDRP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(C#N)cc1 ZINC000423400833 288090406 /nfs/dbraw/zinc/09/04/06/288090406.db2.gz QKSPBLCOPKDPKE-KCXAZCMYSA-N 2 0 257.381 2.597 20 30 CFEDRP CC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(C#N)cc1 ZINC000423501350 288090824 /nfs/dbraw/zinc/09/08/24/288090824.db2.gz JLBZNZPGEAGTPK-KBMXLJTQSA-N 2 0 257.381 2.726 20 30 CFEDRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000423421258 279527106 /nfs/dbraw/zinc/52/71/06/279527106.db2.gz AVSZHZNBUQBHAH-AFAVFJNCSA-N 2 0 269.392 2.597 20 30 CFEDRP C[C@@H]([NH2+]C(C)(C)C[NH+]=C(N(C)C)N(C)C)c1ccccc1 ZINC000262550664 328150678 /nfs/dbraw/zinc/15/06/78/328150678.db2.gz YBLZLAQHYMFVHG-CQSZACIVSA-N 2 0 290.455 2.595 20 30 CFEDRP Cc1ccncc1CCC[N@H+](CCC#N)CC1CC1 ZINC000289248597 328254297 /nfs/dbraw/zinc/25/42/97/328254297.db2.gz CDURGRXCRWMUME-UHFFFAOYSA-N 2 0 257.381 2.948 20 30 CFEDRP C#CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000377647170 329022787 /nfs/dbraw/zinc/02/27/87/329022787.db2.gz LVXQSSLLKTUUND-ZWKOTPCHSA-N 2 0 298.430 2.805 20 30 CFEDRP C#CCCC[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000176500303 329176027 /nfs/dbraw/zinc/17/60/27/329176027.db2.gz PKEUXZALOQEDKM-RDJZCZTQSA-N 2 0 256.393 2.825 20 30 CFEDRP C=C(C)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177497687 329184925 /nfs/dbraw/zinc/18/49/25/329184925.db2.gz ZTZADIPUYMOZHS-IYBDPMFKSA-N 2 0 280.456 2.774 20 30 CFEDRP C=C(C)CN1CCC([NH2+][C@@H]2C[C@@H](OCC)C23CCC3)CC1 ZINC000181717766 329235958 /nfs/dbraw/zinc/23/59/58/329235958.db2.gz HPJUKOUYNXAFJG-IAGOWNOFSA-N 2 0 292.467 2.964 20 30 CFEDRP C=C(C)CN1CCC([NH2+][C@@H]2C[C@H](OCC)C23CCC3)CC1 ZINC000181717782 329236063 /nfs/dbraw/zinc/23/60/63/329236063.db2.gz HPJUKOUYNXAFJG-SJORKVTESA-N 2 0 292.467 2.964 20 30 CFEDRP C=CCCC[C@H](C)[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423022791 330165623 /nfs/dbraw/zinc/16/56/23/330165623.db2.gz FWJQRTJAWALMPO-GJZGRUSLSA-N 2 0 296.455 2.642 20 30 CFEDRP C=C(C)[C@@H]([NH2+][C@H](CCC[NH3+])COC)c1ccc(F)c(F)c1 ZINC000423044809 330166738 /nfs/dbraw/zinc/16/67/38/330166738.db2.gz BCVOKNOZJYTVCO-CZUORRHYSA-N 2 0 298.377 2.926 20 30 CFEDRP C=C(C)[C@H]([NH2+][C@H](CCC[NH3+])COC)c1ccc(F)c(F)c1 ZINC000423044808 330166799 /nfs/dbraw/zinc/16/67/99/330166799.db2.gz BCVOKNOZJYTVCO-CJNGLKHVSA-N 2 0 298.377 2.926 20 30 CFEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423099771 330170097 /nfs/dbraw/zinc/17/00/97/330170097.db2.gz UHBLZHQWXMCWIZ-VZEFYGNVSA-N 2 0 272.392 2.702 20 30 CFEDRP CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423124467 330171228 /nfs/dbraw/zinc/17/12/28/330171228.db2.gz MLSQBGPDEBYETH-RRFJBIMHSA-N 2 0 263.429 2.827 20 30 CFEDRP C=CCCCC[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000449250729 330909812 /nfs/dbraw/zinc/90/98/12/330909812.db2.gz PIOQQHORWZBCDB-IRXDYDNUSA-N 2 0 281.488 2.737 20 30 CFEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000521042425 333110583 /nfs/dbraw/zinc/11/05/83/333110583.db2.gz GYFNMBNABCTOGG-CPUCHLNUSA-N 2 0 271.408 2.571 20 30 CFEDRP C=CCOc1cccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000352534763 526898954 /nfs/dbraw/zinc/89/89/54/526898954.db2.gz IWJKLQSFJPZCRJ-MRXNPFEDSA-N 2 0 274.408 2.955 20 30 CFEDRP N#Cc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925604874 618292790 /nfs/dbraw/zinc/29/27/90/618292790.db2.gz AYRZKKVAAYSTOE-QZTJIDSGSA-N 2 0 283.419 2.816 20 30 CFEDRP COc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1C#N ZINC000925615051 618317843 /nfs/dbraw/zinc/31/78/43/618317843.db2.gz DTVDRLBQUHTLCX-HUUCEWRRSA-N 2 0 287.407 2.562 20 30 CFEDRP CC(C)(CCC#N)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925671394 618441765 /nfs/dbraw/zinc/44/17/65/618441765.db2.gz DBTHTSIBIDYNON-QWHCGFSZSA-N 2 0 251.418 2.812 20 30 CFEDRP C[NH+]1CCC(C[NH2+][C@H](CCC#N)c2ccccc2)CC1 ZINC000893195063 618876316 /nfs/dbraw/zinc/87/63/16/618876316.db2.gz RDWIMXPEFDRWNM-QGZVFWFLSA-N 2 0 271.408 2.963 20 30 CFEDRP CC(C)(CC#N)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925691518 618936394 /nfs/dbraw/zinc/93/63/94/618936394.db2.gz HVYRNQCPUQIKAJ-OAHLLOKOSA-N 2 0 259.397 2.996 20 30 CFEDRP CC(C)(CC#N)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925696145 618948153 /nfs/dbraw/zinc/94/81/53/618948153.db2.gz STZDJAGUPNNOLF-CABCVRRESA-N 2 0 263.429 2.684 20 30 CFEDRP C[NH+]1CCC([C@H]2CC[N@H+](CC#Cc3ccccc3)C2)CC1 ZINC000894478981 619397315 /nfs/dbraw/zinc/39/73/15/619397315.db2.gz HPOJHGYZKQHFKN-IBGZPJMESA-N 2 0 282.431 2.702 20 30 CFEDRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000902381830 621059224 /nfs/dbraw/zinc/05/92/24/621059224.db2.gz GTOMMLYXAYQEPL-YMAMQOFZSA-N 2 0 263.429 2.684 20 30 CFEDRP C=CCC[C@@H]([NH2+]CCC[NH+](C)C)[C@@]1(C)CCCCO1 ZINC000902720359 621156682 /nfs/dbraw/zinc/15/66/82/621156682.db2.gz IIDFKGFXVOQBBM-HZPDHXFCSA-N 2 0 268.445 2.822 20 30 CFEDRP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1cccc(C#N)c1 ZINC000902752070 621164677 /nfs/dbraw/zinc/16/46/77/621164677.db2.gz GCSXEQKDRVOOAR-DOTOQJQBSA-N 2 0 271.408 2.941 20 30 CFEDRP C=CC[N@H+](Cc1ccccc1F)C[C@H]1CC[C@@H]([NH3+])C1 ZINC000903433053 621373107 /nfs/dbraw/zinc/37/31/07/621373107.db2.gz SHETUTWDKQTMBI-DZGCQCFKSA-N 2 0 262.372 2.941 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000903424965 621380007 /nfs/dbraw/zinc/38/00/07/621380007.db2.gz NLWROINIBKVDST-UHFFFAOYSA-N 2 0 271.408 2.877 20 30 CFEDRP CN(Cc1cc(Cl)cc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903445592 621383944 /nfs/dbraw/zinc/38/39/44/621383944.db2.gz MFSUAGHBYCKZOY-XYPWUTKMSA-N 2 0 289.810 2.926 20 30 CFEDRP N#CC1CCC(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000903453838 621387383 /nfs/dbraw/zinc/38/73/83/621387383.db2.gz NLNWWTGRBIVMEZ-BACDZXNISA-N 2 0 275.440 2.638 20 30 CFEDRP N#CC1CCC(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)CC1 ZINC000903454080 621388292 /nfs/dbraw/zinc/38/82/92/621388292.db2.gz UKSJWCSWWDFVFW-BHUNQDJPSA-N 2 0 275.440 2.780 20 30 CFEDRP C=C[C@H]1CCCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903912875 621472207 /nfs/dbraw/zinc/47/22/07/621472207.db2.gz JIXMWRHSJWTOGS-INIZCTEOSA-N 2 0 256.393 2.873 20 30 CFEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000911754202 622547437 /nfs/dbraw/zinc/54/74/37/622547437.db2.gz RYRWXNBWEYYZRH-ZBFHGGJFSA-N 2 0 297.487 2.650 20 30 CFEDRP C[N@@H+]1CC[C@@H]2C[NH+](CCCCC(C)(C)C#N)C[C@@H]2C1 ZINC000311534560 623467977 /nfs/dbraw/zinc/46/79/77/623467977.db2.gz LYGOIQUESJJYHX-CABCVRRESA-N 2 0 263.429 2.590 20 30 CFEDRP C[C@@H](CCNC(=[NH2+])NC(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC000083052630 625793389 /nfs/dbraw/zinc/79/33/89/625793389.db2.gz GLPOZOUGFHECHD-AWEZNQCLSA-N 2 0 290.455 2.600 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000921552978 625985680 /nfs/dbraw/zinc/98/56/80/625985680.db2.gz OWTYNVSMOYNOJD-CQSZACIVSA-N 2 0 285.435 2.997 20 30 CFEDRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)cc(C#N)cc2C)C1 ZINC000921582068 625991276 /nfs/dbraw/zinc/99/12/76/625991276.db2.gz PXHDFDXZMVHUPR-INIZCTEOSA-N 2 0 285.435 2.997 20 30 CFEDRP CCC[NH+]1CCC(C[NH2+]Cc2csc(C#N)c2)CC1 ZINC000921686193 626077805 /nfs/dbraw/zinc/07/78/05/626077805.db2.gz GSLUXHWLMCPFCU-UHFFFAOYSA-N 2 0 277.437 2.831 20 30 CFEDRP C#Cc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000835063775 629366980 /nfs/dbraw/zinc/36/69/80/629366980.db2.gz QOUWFCHAWUZCII-UHFFFAOYSA-N 2 0 256.393 2.632 20 30 CFEDRP C#Cc1ccc(C[NH2+]C2CCC(C[NH+](C)C)CC2)cc1 ZINC000809627954 631250497 /nfs/dbraw/zinc/25/04/97/631250497.db2.gz MIXZGHVENZFELA-UHFFFAOYSA-N 2 0 270.420 2.878 20 30 CFEDRP C#C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(C)(C)C ZINC000809781567 631287827 /nfs/dbraw/zinc/28/78/27/631287827.db2.gz WLOJUPAXNAXDMQ-GOSISDBHSA-N 2 0 299.462 2.576 20 30 CFEDRP C=CCOc1cccc(C[N@@H+](C)C2CCC([NH3+])CC2)c1 ZINC000843055422 631819231 /nfs/dbraw/zinc/81/92/31/631819231.db2.gz BAWBGGUQUCGPQW-UHFFFAOYSA-N 2 0 274.408 2.953 20 30 CFEDRP C=CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccncc1 ZINC000843341380 631931635 /nfs/dbraw/zinc/93/16/35/631931635.db2.gz CNDCLBJPBPVGSZ-HZMVEIRTSA-N 2 0 271.408 2.677 20 30 CFEDRP CCCCCCC[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000843389355 631943268 /nfs/dbraw/zinc/94/32/68/631943268.db2.gz PZZBGXHWSRGIRW-HNNXBMFYSA-N 2 0 268.445 2.644 20 30 CFEDRP CCCCCCCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000817914110 632732438 /nfs/dbraw/zinc/73/24/38/632732438.db2.gz WQWSEXLVMHCSGA-RRFJBIMHSA-N 2 0 256.434 2.689 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000817946865 632748599 /nfs/dbraw/zinc/74/85/99/632748599.db2.gz GRHSNBRTXXXZTC-UXLLHSPISA-N 2 0 286.419 2.737 20 30 CFEDRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(OCC#N)cc1 ZINC000817966936 632766673 /nfs/dbraw/zinc/76/66/73/632766673.db2.gz ZQESTINYTSTBPZ-WMLDXEAASA-N 2 0 287.407 2.629 20 30 CFEDRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(OCC#N)cc1 ZINC000817985084 632782291 /nfs/dbraw/zinc/78/22/91/632782291.db2.gz GSZRDHRIQHDQCL-AWEZNQCLSA-N 2 0 285.391 2.549 20 30 CFEDRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000854230522 635266827 /nfs/dbraw/zinc/26/68/27/635266827.db2.gz STRYUYUGFRAOGV-CZUORRHYSA-N 2 0 275.396 2.613 20 30 CFEDRP C=CC[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000862441500 637380900 /nfs/dbraw/zinc/38/09/00/637380900.db2.gz RXEKEXJLOCLFJJ-QGZVFWFLSA-N 2 0 299.462 2.836 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000873223624 642076638 /nfs/dbraw/zinc/07/66/38/642076638.db2.gz PQCZCKXIOZEZJT-AWEZNQCLSA-N 2 0 274.408 2.729 20 30 CFEDRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OCC#N)cc1 ZINC000873265284 642108305 /nfs/dbraw/zinc/10/83/05/642108305.db2.gz UTGRVIQWUUJQOF-DIECFANBSA-N 2 0 299.418 2.770 20 30 CFEDRP N#Cc1cccc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)n1 ZINC000877075743 643137253 /nfs/dbraw/zinc/13/72/53/643137253.db2.gz GMAJNVKJPXAALQ-UHFFFAOYSA-N 2 0 298.434 2.840 20 30 CFEDRP C#CCCCCCC[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000877538855 643340726 /nfs/dbraw/zinc/34/07/26/643340726.db2.gz FQIQKLDFMIXLQQ-UHFFFAOYSA-N 2 0 282.497 2.987 20 30 CFEDRP C#CCCCCCC[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000877574743 643372912 /nfs/dbraw/zinc/37/29/12/643372912.db2.gz UDUAYYUBMKMNTL-UHFFFAOYSA-N 2 0 293.499 2.576 20 30 CFEDRP C#CCCCCC[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000878147246 643759514 /nfs/dbraw/zinc/75/95/14/643759514.db2.gz BDYBFLUYLYFVML-INIZCTEOSA-N 2 0 250.430 2.844 20 30 CFEDRP CC(C)(C#N)CCC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473170 644726487 /nfs/dbraw/zinc/72/64/87/644726487.db2.gz RPIWLRJHZQOSSX-UHFFFAOYSA-N 2 0 263.429 2.877 20 30 CFEDRP CC[C@@H](C)NC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000303253881 650991469 /nfs/dbraw/zinc/99/14/69/650991469.db2.gz DFADUTVSSLSOPC-HUUCEWRRSA-N 2 0 282.476 2.590 20 30 CFEDRP CCCCNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000303775039 651001681 /nfs/dbraw/zinc/00/16/81/651001681.db2.gz GNFIEUGBHRLTKC-INIZCTEOSA-N 2 0 288.439 2.528 20 30 CFEDRP CCC(CC)[C@@H](CNC(=[NH2+])NC1CCCCC1)[NH+](C)C ZINC000303784000 651002114 /nfs/dbraw/zinc/00/21/14/651002114.db2.gz OUSIXUASFBZSGD-OAHLLOKOSA-N 2 0 282.476 2.590 20 30 CFEDRP CC1CC[NH+](CCCCNC(=[NH2+])N2CCC[C@@H](C)C2)CC1 ZINC000303872503 651004881 /nfs/dbraw/zinc/00/48/81/651004881.db2.gz CAFNRUMHZRSVSI-MRXNPFEDSA-N 2 0 294.487 2.545 20 30 CFEDRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=[NH2+])N2CCCCC2)C1 ZINC000303908316 651008872 /nfs/dbraw/zinc/00/88/72/651008872.db2.gz XMUWXSOIWSGAES-HOTGVXAUSA-N 2 0 294.487 2.545 20 30 CFEDRP CCc1ccc(NC(=[NH2+])NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000303909654 651008965 /nfs/dbraw/zinc/00/89/65/651008965.db2.gz YJRUZFWSHJYYEJ-AWEZNQCLSA-N 2 0 288.439 2.850 20 30 CFEDRP CCc1cccc(NC(=[NH2+])NCC[N@@H+](CC)C(C)C)c1 ZINC000303978941 651010131 /nfs/dbraw/zinc/01/01/31/651010131.db2.gz MQINZZUEVSUOJT-UHFFFAOYSA-N 2 0 276.428 2.706 20 30 CFEDRP CCc1ccc(NC(=[NH2+])NCC[N@@H+](C)[C@@H](C)CC)cc1 ZINC000303988932 651010996 /nfs/dbraw/zinc/01/09/96/651010996.db2.gz WZIQTOHGFJYJDA-ZDUSSCGKSA-N 2 0 276.428 2.706 20 30 CFEDRP CCC(CC)(CNC(NC)=[NH+]C)[NH2+][C@@H](C)c1ccccc1 ZINC000304053392 651013997 /nfs/dbraw/zinc/01/39/97/651013997.db2.gz LKOFJBJBKSVTEV-AWEZNQCLSA-N 2 0 290.455 2.691 20 30 CFEDRP C=CCC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000883214559 645668549 /nfs/dbraw/zinc/66/85/49/645668549.db2.gz IDAUFQYOYGBPJN-HOTGVXAUSA-N 2 0 280.456 2.822 20 30 CFEDRP C=CCC[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)[C@H]1CCCO1 ZINC000883229047 645679090 /nfs/dbraw/zinc/67/90/90/645679090.db2.gz ZMKNCSRSNZIXKL-IAGOWNOFSA-N 2 0 285.391 2.938 20 30 CFEDRP CCC1([NH+]2CCC2)CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000886715689 647119995 /nfs/dbraw/zinc/11/99/95/647119995.db2.gz BBMIZWGUZSXHEX-CABCVRRESA-N 2 0 261.413 2.629 20 30 CFEDRP CCN(CC)C(=[NH2+])NCC1([NH+]2CCCCC2)CCCCC1 ZINC000104154185 647551698 /nfs/dbraw/zinc/55/16/98/647551698.db2.gz AJXOXZMNXAIWJA-UHFFFAOYSA-N 2 0 294.487 2.832 20 30 CFEDRP CC[C@H](CNC(=[NH2+])Nc1cccc(C)c1)[NH+]1CCCC1 ZINC000104166812 647552899 /nfs/dbraw/zinc/55/28/99/647552899.db2.gz OJXVFZKLOKUHSV-OAHLLOKOSA-N 2 0 274.412 2.596 20 30 CFEDRP COc1cc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)ccc1C#N ZINC000925668678 648271153 /nfs/dbraw/zinc/27/11/53/648271153.db2.gz JSXWSOOYYMWPKS-GJZGRUSLSA-N 2 0 287.407 2.562 20 30 CFEDRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000925728629 648299809 /nfs/dbraw/zinc/29/98/09/648299809.db2.gz MFILGFGISNGTCN-BRWVUGGUSA-N 2 0 283.419 2.521 20 30 CFEDRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(C#N)c2)[C@H](C)C1 ZINC000926962935 648673161 /nfs/dbraw/zinc/67/31/61/648673161.db2.gz AKCRUMTYHQCPKV-RHSMWYFYSA-N 2 0 271.408 2.687 20 30 CFEDRP C[NH+](C)CCC1CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000929326936 649031277 /nfs/dbraw/zinc/03/12/77/649031277.db2.gz BTUDOQNOGCAYNQ-UHFFFAOYSA-N 2 0 277.456 2.980 20 30 CFEDRP CC[N@H+](C)C[C@@H]1CC[NH+](CC2CCC(C#N)CC2)C1 ZINC000929789446 649123491 /nfs/dbraw/zinc/12/34/91/649123491.db2.gz FOQAJDZDFXSDMP-GPANFISMSA-N 2 0 263.429 2.590 20 30 CFEDRP CCCCCCCCCC[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235053974 778367471 /nfs/dbraw/zinc/36/74/71/778367471.db2.gz MKJASVKNHVXMKW-QGZVFWFLSA-N 2 0 281.488 2.764 20 30 CFEDRP C#Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235428212 778487326 /nfs/dbraw/zinc/48/73/26/778487326.db2.gz NQKGJKBPLGBDKM-RTBURBONSA-N 2 0 282.431 2.880 20 30 CFEDRP [NH3+]CCC1C[NH+](Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001235919059 778608979 /nfs/dbraw/zinc/60/89/79/778608979.db2.gz QUEJHAVGZHCPPO-UHFFFAOYSA-N 2 0 296.439 2.929 20 30 CFEDRP C=C(C)COc1ccccc1C[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235925747 778612948 /nfs/dbraw/zinc/61/29/48/778612948.db2.gz ZGGFYJRUGLSBPN-INIZCTEOSA-N 2 0 274.408 2.955 20 30 CFEDRP C=CC[NH2+]CCN1CC[C@]2(CCC[N@@H+]2Cc2ccccc2)C1 ZINC001236178316 778726277 /nfs/dbraw/zinc/72/62/77/778726277.db2.gz JGJJWMMYBNKAKO-LJQANCHMSA-N 2 0 299.462 2.503 20 30 CFEDRP C#CCOc1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001236598641 778890107 /nfs/dbraw/zinc/89/01/07/778890107.db2.gz MLUTYHUVGCBKLW-KRWDZBQOSA-N 2 0 298.430 2.663 20 30 CFEDRP CCCCCCCCN(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001236924714 778982829 /nfs/dbraw/zinc/98/28/29/778982829.db2.gz SJKHDTQDBMCYNT-QGZVFWFLSA-N 2 0 283.504 2.963 20 30 CFEDRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccnc(C#N)c2)CC1 ZINC001237469961 779114861 /nfs/dbraw/zinc/11/48/61/779114861.db2.gz JWCRRRZQITUKEI-UHFFFAOYSA-N 2 0 286.423 2.505 20 30 CFEDRP C[C@H]([NH3+])c1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc1 ZINC001240351619 780103450 /nfs/dbraw/zinc/10/34/50/780103450.db2.gz WKLGPVCZNAVBIV-LBPRGKRZSA-N 2 0 277.371 2.932 20 30 CFEDRP N#Cc1cc(-c2cccc(C3([NH3+])CC3)c2)cc(C2C[NH2+]C2)c1 ZINC001240360348 780113601 /nfs/dbraw/zinc/11/36/01/780113601.db2.gz FDFXQTQGOXEEOF-UHFFFAOYSA-N 2 0 289.382 2.860 20 30 CFEDRP N#Cc1cc(-c2ccccc2C2([NH3+])CC2)cc(C2C[NH2+]C2)c1 ZINC001240360302 780113867 /nfs/dbraw/zinc/11/38/67/780113867.db2.gz DPZMPIVRLDDVES-UHFFFAOYSA-N 2 0 289.382 2.860 20 30 CFEDRP C=CC(C)(C)CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000701915662 780851567 /nfs/dbraw/zinc/85/15/67/780851567.db2.gz ASUQTCOYOLPVTP-HZSPNIEDSA-N 2 0 250.430 2.955 20 30 CFEDRP N#Cc1cncc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)c1 ZINC001242275101 781357872 /nfs/dbraw/zinc/35/78/72/781357872.db2.gz PSPQWVZNQHDLGI-UHFFFAOYSA-N 2 0 292.386 2.543 20 30 CFEDRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(C#N)cc1F ZINC000594510968 349435470 /nfs/dbraw/zinc/43/54/70/349435470.db2.gz QDJGSUQRFCNKOF-BNOWGMLFSA-N 2 0 275.371 2.688 20 30 CFEDRP N#Cc1ccc(C2([NH2+][C@H]3CCC[C@H]([NH3+])C3)CCC2)cc1 ZINC000594584718 349452578 /nfs/dbraw/zinc/45/25/78/349452578.db2.gz FJDZUGPMYMHGFV-HOTGVXAUSA-N 2 0 269.392 2.797 20 30 CFEDRP C[C@H]1C[C@@H](C[NH2+]C(C)(C)c2cccc(C#N)c2)CC[NH2+]1 ZINC000594736627 349484968 /nfs/dbraw/zinc/48/49/68/349484968.db2.gz TWUOLMXDDLTAIK-ZFWWWQNUSA-N 2 0 271.408 2.771 20 30 CFEDRP N#C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000595070504 349573493 /nfs/dbraw/zinc/57/34/93/349573493.db2.gz VKFUHFRQOZKQFR-QZTJIDSGSA-N 2 0 298.434 2.575 20 30 CFEDRP C[C@@H]1CCC[N@H+](CCc2ccc(C#N)cc2)[C@@H]1CC[NH3+] ZINC000595896632 349764057 /nfs/dbraw/zinc/76/40/57/349764057.db2.gz SLOHWTNVAUNONO-RHSMWYFYSA-N 2 0 271.408 2.550 20 30 CFEDRP N#Cc1ccc(CC[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000595901295 349765318 /nfs/dbraw/zinc/76/53/18/349765318.db2.gz UWWOJDNMHSXUMZ-IBGZPJMESA-N 2 0 297.446 2.812 20 30 CFEDRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(C#N)cc1 ZINC000596650569 349968866 /nfs/dbraw/zinc/96/88/66/349968866.db2.gz LOOAODSTICUIJO-DNVCBOLYSA-N 2 0 293.414 2.649 20 30 CFEDRP CC(C)[NH+](CCCNC(=[NH2+])Nc1ccccc1)C(C)C ZINC000080624369 347371040 /nfs/dbraw/zinc/37/10/40/347371040.db2.gz GILQCUJRKWXQCD-UHFFFAOYSA-N 2 0 276.428 2.922 20 30 CFEDRP CC(C)(C#N)CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151138467 347959357 /nfs/dbraw/zinc/95/93/57/347959357.db2.gz XOVRQDVBRCMHLR-UHFFFAOYSA-N 2 0 272.396 2.534 20 30 CFEDRP COc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])ccc1C#N ZINC000404374594 348591558 /nfs/dbraw/zinc/59/15/58/348591558.db2.gz KGUHUHWIGCADCF-XJKSGUPXSA-N 2 0 287.407 2.516 20 30 CFEDRP C[C@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)C[NH+](C)C ZINC000589949309 348864597 /nfs/dbraw/zinc/86/45/97/348864597.db2.gz IXALLWXBEHUUPH-DYVFJYSZSA-N 2 0 271.408 2.723 20 30 CFEDRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591573349 349030655 /nfs/dbraw/zinc/03/06/55/349030655.db2.gz PQVYKDURXPCPNX-LLVKDONJSA-N 2 0 265.788 2.819 20 30 CFEDRP CC[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(C#N)cc1 ZINC000591579947 349031958 /nfs/dbraw/zinc/03/19/58/349031958.db2.gz AUGPSRGDLUDQBX-HOTGVXAUSA-N 2 0 269.392 2.741 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC000591582675 349032735 /nfs/dbraw/zinc/03/27/35/349032735.db2.gz SWBJPAYPITWVKL-NVXWUHKLSA-N 2 0 281.403 2.810 20 30 CFEDRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC[NH2+]1 ZINC000591581468 349032881 /nfs/dbraw/zinc/03/28/81/349032881.db2.gz XPKKWKJLSMKAGZ-PVUWLOKVSA-N 2 0 269.392 2.666 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000591580485 349032921 /nfs/dbraw/zinc/03/29/21/349032921.db2.gz JWAAPTJTABKXOQ-NTDBWNAOSA-N 2 0 295.430 2.913 20 30 CFEDRP CC1(C#N)CCC([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000591582695 349032927 /nfs/dbraw/zinc/03/29/27/349032927.db2.gz UMISWNIJIVQPTN-SHARSMKWSA-N 2 0 261.413 2.723 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC1(C[NH3+])CC1 ZINC000593320879 349246508 /nfs/dbraw/zinc/24/65/08/349246508.db2.gz VHKFMLQLLLJMQW-INIZCTEOSA-N 2 0 269.392 2.654 20 30 CFEDRP CC1(C#N)CCC([NH2+]Cc2ccc(C[NH3+])cc2F)CC1 ZINC000593320184 349246932 /nfs/dbraw/zinc/24/69/32/349246932.db2.gz AALPZGRLEOLVSZ-UHFFFAOYSA-N 2 0 275.371 2.846 20 30 CFEDRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000593324764 349247330 /nfs/dbraw/zinc/24/73/30/349247330.db2.gz ZPQYFUPTWZETFR-GFCCVEGCSA-N 2 0 275.371 2.738 20 30 CFEDRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)C2)C1 ZINC000597130787 350035344 /nfs/dbraw/zinc/03/53/44/350035344.db2.gz WCPCNEVEBWPOOI-SFHVURJKSA-N 2 0 295.430 2.769 20 30 CFEDRP C[C@@]1(C#N)CCN(Cc2cc(-n3ccnc3)cs2)C1 ZINC000597232687 350065567 /nfs/dbraw/zinc/06/55/67/350065567.db2.gz VLUWGZKYECGMJY-AWEZNQCLSA-N 2 0 272.377 2.669 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000090720507 180030054 /nfs/dbraw/zinc/03/00/54/180030054.db2.gz KXXGQHSCNPEDRQ-GDBMZVCRSA-N 2 0 274.408 2.824 20 30 CFEDRP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CC#N)cc2)CC1(C)C ZINC000598982590 350354048 /nfs/dbraw/zinc/35/40/48/350354048.db2.gz KLWIHJWXPJPTFC-MRXNPFEDSA-N 2 0 271.408 2.715 20 30 CFEDRP Cc1ccc(C[N@H+](C)CCCn2ccnc2)cc1C#N ZINC000599338667 350417564 /nfs/dbraw/zinc/41/75/64/350417564.db2.gz UXZIBUIMCITLEK-UHFFFAOYSA-N 2 0 268.364 2.585 20 30 CFEDRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000602019101 350832870 /nfs/dbraw/zinc/83/28/70/350832870.db2.gz AVEGEOJEFAKZQI-RDJZCZTQSA-N 2 0 283.419 2.913 20 30 CFEDRP N#C[C@H]1CCC[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000602020034 350833896 /nfs/dbraw/zinc/83/38/96/350833896.db2.gz IHEZAABELGFVAL-BBRMVZONSA-N 2 0 269.392 2.504 20 30 CFEDRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(C#N)cc1 ZINC000602022869 350834849 /nfs/dbraw/zinc/83/48/49/350834849.db2.gz WKZVJNYPEVIVPR-NOLJZWGESA-N 2 0 257.381 2.726 20 30 CFEDRP C[C@@H](CCC#N)C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000602524206 350914025 /nfs/dbraw/zinc/91/40/25/350914025.db2.gz LCLLUQNLSBMXAN-HNNXBMFYSA-N 2 0 289.423 2.656 20 30 CFEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)CCC#N)[C@H](C)C1 ZINC000602547383 350920000 /nfs/dbraw/zinc/92/00/00/350920000.db2.gz XXVHHWHMOMVIJY-BBWFWOEESA-N 2 0 295.471 2.653 20 30 CFEDRP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](C)CCC#N)CC1 ZINC000602437579 350882204 /nfs/dbraw/zinc/88/22/04/350882204.db2.gz ZLUWQTMHFFWGDI-AWEZNQCLSA-N 2 0 251.418 2.731 20 30 CFEDRP CCC[NH+]1CCC([N@H+](C)C[C@@H](C)CCC#N)CC1 ZINC000602448553 350886891 /nfs/dbraw/zinc/88/68/91/350886891.db2.gz LZDABGHNMJSXOT-AWEZNQCLSA-N 2 0 251.418 2.732 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](C)CCC#N)[C@@H](C)C1 ZINC000602473354 350895649 /nfs/dbraw/zinc/89/56/49/350895649.db2.gz GBKCQXJJOXUFCA-KKUMJFAQSA-N 2 0 251.418 2.588 20 30 CFEDRP C[C@@H](CCC#N)C[NH2+]CCCCC[NH+]1CCCC1 ZINC000602676141 350974037 /nfs/dbraw/zinc/97/40/37/350974037.db2.gz LFIWWBMLMMTTBV-HNNXBMFYSA-N 2 0 251.418 2.782 20 30 CFEDRP C=CCC1([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)CCCCC1 ZINC000625934335 354148941 /nfs/dbraw/zinc/14/89/41/354148941.db2.gz KJBOFMUJXVBAGD-HNNXBMFYSA-N 2 0 268.445 2.556 20 30 CFEDRP C#CC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000271733305 191296729 /nfs/dbraw/zinc/29/67/29/191296729.db2.gz STLNQNKGQIYHMC-SJORKVTESA-N 2 0 256.393 2.825 20 30 CFEDRP C=CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414908277 540830196 /nfs/dbraw/zinc/83/01/96/540830196.db2.gz BEXWPPKUZNDGTK-HUUCEWRRSA-N 2 0 260.381 2.611 20 30 CFEDRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423225788 238289406 /nfs/dbraw/zinc/28/94/06/238289406.db2.gz OGUBLVARMJRCNY-BLLLJJGKSA-N 2 0 257.381 2.653 20 30 CFEDRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000423221118 238287081 /nfs/dbraw/zinc/28/70/81/238287081.db2.gz WGWQPMMDSRDWTG-SLEUVZQESA-N 2 0 275.371 2.736 20 30 CFEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCC[NH3+] ZINC000423327026 238378024 /nfs/dbraw/zinc/37/80/24/238378024.db2.gz MRMODMLODSSLFS-INIZCTEOSA-N 2 0 257.381 2.654 20 30 CFEDRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000423350290 238399073 /nfs/dbraw/zinc/39/90/73/238399073.db2.gz XGEIIILMICWSNW-BLLLJJGKSA-N 2 0 275.371 2.738 20 30 CFEDRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(C#N)c1 ZINC000423346333 238395483 /nfs/dbraw/zinc/39/54/83/238395483.db2.gz ZWPZXWNGUDFNLU-ZDUSSCGKSA-N 2 0 257.381 2.599 20 30 CFEDRP CC[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435614336 240330900 /nfs/dbraw/zinc/33/09/00/240330900.db2.gz MHGSQPZYMAZNFK-MRXNPFEDSA-N 2 0 257.381 2.522 20 30 CFEDRP Cc1cc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)ccc1C#N ZINC000443989085 241102055 /nfs/dbraw/zinc/10/20/55/241102055.db2.gz KAQIAAZIWBMPSX-AWEZNQCLSA-N 2 0 271.408 2.688 20 30 CFEDRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000037649291 372685255 /nfs/dbraw/zinc/68/52/55/372685255.db2.gz FLLYNFUTGRDYAO-DZGCQCFKSA-N 2 0 269.392 2.693 20 30 CFEDRP CCN(CC)C(=[NH2+])NCc1ccccc1C[NH+](CC)CC ZINC000264122976 383697673 /nfs/dbraw/zinc/69/76/73/383697673.db2.gz RKTLAWAEIKHEAO-UHFFFAOYSA-N 2 0 290.455 2.685 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C#N)c2)[C@H](C)C1 ZINC000081096871 374685976 /nfs/dbraw/zinc/68/59/76/374685976.db2.gz FVWXRFDWSPQLTC-PBHICJAKSA-N 2 0 271.408 2.720 20 30 CFEDRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(C)(C)C#N)C1 ZINC000119695611 376453034 /nfs/dbraw/zinc/45/30/34/376453034.db2.gz OSPCLZANZHJGSV-CQSZACIVSA-N 2 0 251.418 2.590 20 30 CFEDRP C[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1n1ccnc1 ZINC000129440318 377427314 /nfs/dbraw/zinc/42/73/14/377427314.db2.gz PFXBTFSBZOYYRY-GUYCJALGSA-N 2 0 298.365 2.977 20 30 CFEDRP CCC[NH+]1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000135133569 378087876 /nfs/dbraw/zinc/08/78/76/378087876.db2.gz RMQTXVNRTIJOKT-UHFFFAOYSA-N 2 0 251.418 2.780 20 30 CFEDRP CC#CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000155704748 378630836 /nfs/dbraw/zinc/63/08/36/378630836.db2.gz ZFTXDSYLCKJDJU-DLBZAZTESA-N 2 0 262.441 2.986 20 30 CFEDRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000175012554 379979351 /nfs/dbraw/zinc/97/93/51/379979351.db2.gz DLGFZBMIRXORSE-HOTGVXAUSA-N 2 0 257.381 2.521 20 30 CFEDRP C=C(CC)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000358507990 380892999 /nfs/dbraw/zinc/89/29/99/380892999.db2.gz LJOXWBWICFKFBM-UHFFFAOYSA-N 2 0 266.429 2.529 20 30 CFEDRP C#CCCC[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000368654239 381098448 /nfs/dbraw/zinc/09/84/48/381098448.db2.gz ZIGYCCKJISMQOG-QGZVFWFLSA-N 2 0 298.430 2.978 20 30 CFEDRP C[N@H+](CC1CC1)C[C@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000354100048 381079186 /nfs/dbraw/zinc/07/91/86/381079186.db2.gz JTNAIOAYGQAVOX-CQSZACIVSA-N 2 0 289.448 2.783 20 30 CFEDRP C=CCC[C@H](C)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000185206930 381564741 /nfs/dbraw/zinc/56/47/41/381564741.db2.gz SAKFEGJEVSCZAY-JYJNAYRXSA-N 2 0 268.445 2.820 20 30 CFEDRP C[NH+](C)[C@@H]1CCC[N@H+](CC(C)(C)CCC#N)CC1 ZINC000373017201 381911313 /nfs/dbraw/zinc/91/13/13/381911313.db2.gz ZMJURNXOPWYGHA-CQSZACIVSA-N 2 0 251.418 2.732 20 30 CFEDRP C[N@H+](Cc1ccc(C#N)o1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377691583 382321813 /nfs/dbraw/zinc/32/18/13/382321813.db2.gz HXAROILJOAQAJR-UHFFFAOYSA-N 2 0 296.374 2.647 20 30 CFEDRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccc1C#N ZINC000353611985 382576962 /nfs/dbraw/zinc/57/69/62/382576962.db2.gz PUWXGGWYRBWERV-GVDBMIGSSA-N 2 0 299.418 2.529 20 30 CFEDRP C[N@H+](CCCC(C)(C)C#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367574189 382575611 /nfs/dbraw/zinc/57/56/11/382575611.db2.gz JCRHNUYUCAGYNE-YIONKMFJSA-N 2 0 263.429 2.873 20 30 CFEDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442640098 382939988 /nfs/dbraw/zinc/93/99/88/382939988.db2.gz AEBKEXNKXRDHPO-SOUVJXGZSA-N 2 0 251.418 2.779 20 30 CFEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000442708662 382946795 /nfs/dbraw/zinc/94/67/95/382946795.db2.gz KIDNNNFUIXOUNW-OWCLPIDISA-N 2 0 263.429 2.780 20 30 CFEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442712414 382947822 /nfs/dbraw/zinc/94/78/22/382947822.db2.gz GJIKRHQWNJLNIG-QKPAOTATSA-N 2 0 263.429 2.636 20 30 CFEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442713763 382947851 /nfs/dbraw/zinc/94/78/51/382947851.db2.gz WXHCUEUHQQCHMH-OAGGEKHMSA-N 2 0 263.429 2.923 20 30 CFEDRP CC[N@@H+]1CC[C@@H]([NH2+]CC2CCC(C#N)CC2)[C@@H](C)C1 ZINC000442865352 382962349 /nfs/dbraw/zinc/96/23/49/382962349.db2.gz FIQLHYSAQOHWJF-SLTXQBBLSA-N 2 0 263.429 2.636 20 30 CFEDRP C[C@H]([NH2+]CC1CCC(C#N)CC1)C1CC[NH+](C)CC1 ZINC000619673834 383146676 /nfs/dbraw/zinc/14/66/76/383146676.db2.gz KTRXFBYOHADBNT-NFOMZHRRSA-N 2 0 263.429 2.636 20 30 CFEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000246883153 383117485 /nfs/dbraw/zinc/11/74/85/383117485.db2.gz FBSJWBYALGGIEI-RCCFBDPRSA-N 2 0 293.499 2.757 20 30 CFEDRP C=CCCCC[C@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000449225613 383184771 /nfs/dbraw/zinc/18/47/71/383184771.db2.gz UOCBTNBMCRIGKG-INIZCTEOSA-N 2 0 281.488 2.737 20 30 CFEDRP C=CCOc1ccccc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000566317099 383186045 /nfs/dbraw/zinc/18/60/45/383186045.db2.gz VZIFSIRNHXFSOY-UHFFFAOYSA-N 2 0 274.408 2.812 20 30 CFEDRP CC1(C#N)CCC([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000449076366 383163087 /nfs/dbraw/zinc/16/30/87/383163087.db2.gz PDARUVAMBQZJJT-HLIUYOAVSA-N 2 0 261.413 2.533 20 30 CFEDRP C=CCC[C@@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248522614 383253369 /nfs/dbraw/zinc/25/33/69/383253369.db2.gz SAKFEGJEVSCZAY-OAGGEKHMSA-N 2 0 268.445 2.820 20 30 CFEDRP CSC1(C[NH2+]C2CCC(C)(C#N)CC2)CC[NH+](C)CC1 ZINC000449337303 383226686 /nfs/dbraw/zinc/22/66/86/383226686.db2.gz PMHPJPMSDQKEJZ-UHFFFAOYSA-N 2 0 295.496 2.876 20 30 CFEDRP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000250084268 383370348 /nfs/dbraw/zinc/37/03/48/383370348.db2.gz RWJRQPVYEFMGBV-RCCFBDPRSA-N 2 0 283.419 2.959 20 30 CFEDRP C=CCCC(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000635024241 383475179 /nfs/dbraw/zinc/47/51/79/383475179.db2.gz UYEZIKFOUSFJKB-ARFHVFGLSA-N 2 0 280.456 2.726 20 30 CFEDRP CC[NH+]1CCC(C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000569188006 383475247 /nfs/dbraw/zinc/47/52/47/383475247.db2.gz UKXRBMSCTAEEBQ-UHFFFAOYSA-N 2 0 263.429 2.780 20 30 CFEDRP C=CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000570695264 383626441 /nfs/dbraw/zinc/62/64/41/383626441.db2.gz RAWRWMHCYCPTAO-HIFRSBDPSA-N 2 0 260.381 2.563 20 30 CFEDRP C=CCOc1ccc(C[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000573689382 383973322 /nfs/dbraw/zinc/97/33/22/383973322.db2.gz QPUVNRWHHOGIFJ-UHFFFAOYSA-N 2 0 274.408 2.812 20 30 CFEDRP C#CCCOc1ccc(C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)cc1 ZINC000268139294 384541456 /nfs/dbraw/zinc/54/14/56/384541456.db2.gz SDFPOPRUSHEFSR-HNAYVOBHSA-N 2 0 298.430 2.661 20 30 CFEDRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(OCC#N)cc3)CC[C@H]21 ZINC000268997964 384707896 /nfs/dbraw/zinc/70/78/96/384707896.db2.gz OCXVAMIBBUERDI-FUHWJXTLSA-N 2 0 299.418 2.505 20 30 CFEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639303372 385430260 /nfs/dbraw/zinc/43/02/60/385430260.db2.gz PSRJEJRVPUGYJZ-RDJZCZTQSA-N 2 0 294.483 2.946 20 30 CFEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639303370 385430295 /nfs/dbraw/zinc/43/02/95/385430295.db2.gz PSRJEJRVPUGYJZ-DOTOQJQBSA-N 2 0 294.483 2.946 20 30 CFEDRP CCCCCCC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000364256805 262191554 /nfs/dbraw/zinc/19/15/54/262191554.db2.gz ODJLKDCTGRYTCY-QGZVFWFLSA-N 2 0 281.488 2.669 20 30 CFEDRP COc1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)ccc1C#N ZINC000424375334 393841914 /nfs/dbraw/zinc/84/19/14/393841914.db2.gz JLGFCAHITBSEON-CQSZACIVSA-N 2 0 299.418 2.531 20 30 CFEDRP Cc1nn(-c2cc[nH+]cc2)cc1CN(CCC#N)CC1CC1 ZINC000346145631 393921899 /nfs/dbraw/zinc/92/18/99/393921899.db2.gz UFDMMKAUHDBILI-UHFFFAOYSA-N 2 0 295.390 2.701 20 30 CFEDRP CC[C@@H]([NH2+]CCC[N@H+](C)CCOC)c1ccc(C#N)cc1 ZINC000278351034 394060818 /nfs/dbraw/zinc/06/08/18/394060818.db2.gz ZBYISKSJNNXEMK-QGZVFWFLSA-N 2 0 289.423 2.567 20 30 CFEDRP C[NH+](C)C1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000421365361 394203293 /nfs/dbraw/zinc/20/32/93/394203293.db2.gz ADOHBHQOFYOBIF-UHFFFAOYSA-N 2 0 263.410 2.582 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(C#N)c(F)c1 ZINC000423550155 394296463 /nfs/dbraw/zinc/29/64/63/394296463.db2.gz SLUVFPZQUQBTTD-DANNLKNASA-N 2 0 287.382 2.736 20 30 CFEDRP Cc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)ccc1C#N ZINC000362951918 156125245 /nfs/dbraw/zinc/12/52/45/156125245.db2.gz OREKHPBKWYLAOO-UHFFFAOYSA-N 2 0 271.408 2.640 20 30 CFEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000651674469 413560497 /nfs/dbraw/zinc/56/04/97/413560497.db2.gz QLUJFNDGFMUZHN-SQNIBIBYSA-N 2 0 293.499 2.593 20 30 CFEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000651719173 413589561 /nfs/dbraw/zinc/58/95/61/413589561.db2.gz KZBAURCKDJMORM-SOLBZPMBSA-N 2 0 292.467 2.822 20 30 CFEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000651732253 413598448 /nfs/dbraw/zinc/59/84/48/413598448.db2.gz OCHHXUKYFZEKMB-HZPDHXFCSA-N 2 0 280.456 2.556 20 30 CFEDRP C=CCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000657582845 413771036 /nfs/dbraw/zinc/77/10/36/413771036.db2.gz JBWUPPQZUAOXEM-UHFFFAOYSA-N 2 0 293.842 2.758 20 30 CFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000657872640 414014996 /nfs/dbraw/zinc/01/49/96/414014996.db2.gz OQURWTKIPGUEAD-MSOLQXFVSA-N 2 0 293.499 2.739 20 30 CFEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000657835046 413987795 /nfs/dbraw/zinc/98/77/95/413987795.db2.gz RZOJPDFLYNUMTO-ROUUACIJSA-N 2 0 293.499 2.739 20 30 CFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000657837040 413991862 /nfs/dbraw/zinc/99/18/62/413991862.db2.gz XNZNRAYKQUVDNL-MSOLQXFVSA-N 2 0 293.499 2.739 20 30 CFEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000657881583 414024490 /nfs/dbraw/zinc/02/44/90/414024490.db2.gz UBFIISJLQZFGGS-KZNAEPCWSA-N 2 0 294.483 2.948 20 30 CFEDRP C=CC[N@@H+](C[C@@H](O)CN(C)Cc1ccccc1)C(C)(C)C ZINC000661756940 414194607 /nfs/dbraw/zinc/19/46/07/414194607.db2.gz YHWXFQMAYNCNKV-KRWDZBQOSA-N 2 0 290.451 2.766 20 30 CFEDRP C=CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037408288 260101426 /nfs/dbraw/zinc/10/14/26/260101426.db2.gz WCZIELBZPRJIBI-INIZCTEOSA-N 2 0 286.419 2.825 20 30 CFEDRP C#CC[N@H+](Cc1cccc2nccn21)C1CCCC1 ZINC000180585702 260106646 /nfs/dbraw/zinc/10/66/46/260106646.db2.gz XLUWBDDOLCOPJN-UHFFFAOYSA-N 2 0 253.349 2.712 20 30 CFEDRP C[C@@H]1CCC[C@H](C)N1CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000361460221 261280621 /nfs/dbraw/zinc/28/06/21/261280621.db2.gz SXHUQJPFGUPRGD-QXSJWSMHSA-N 2 0 263.429 2.921 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000106868540 261374208 /nfs/dbraw/zinc/37/42/08/261374208.db2.gz LQWYRJABVXNDBF-DLBZAZTESA-N 2 0 286.419 2.968 20 30 CFEDRP C=CCOc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1Cl ZINC000414834881 263056923 /nfs/dbraw/zinc/05/69/23/263056923.db2.gz RBPOUGVALWNCGS-CYBMUJFWSA-N 2 0 294.826 2.994 20 30 CFEDRP C=CCOc1ccccc1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414915264 263120564 /nfs/dbraw/zinc/12/05/64/263120564.db2.gz YUQCXXZVWYRFME-UHFFFAOYSA-N 2 0 274.408 2.731 20 30 CFEDRP C=CCc1cc(C[NH2+][C@H](C)CCCC[NH3+])cc(OC)c1O ZINC000415019018 263255682 /nfs/dbraw/zinc/25/56/82/263255682.db2.gz VHNQEDITSHQDOG-CYBMUJFWSA-N 2 0 292.423 2.736 20 30 CFEDRP N#CCSCCC[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371208531 267372550 /nfs/dbraw/zinc/37/25/50/267372550.db2.gz OYVRKUGXZDORDZ-MRXNPFEDSA-N 2 0 295.496 2.831 20 30 CFEDRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000044515581 278341737 /nfs/dbraw/zinc/34/17/37/278341737.db2.gz WPNSTGDOHMIXHT-CYBMUJFWSA-N 2 0 257.381 2.551 20 30 CFEDRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(C#N)cc1 ZINC000423480341 279476839 /nfs/dbraw/zinc/47/68/39/279476839.db2.gz VTHSWNDYHBAXMK-BJJXKVORSA-N 2 0 257.381 2.726 20 30 CFEDRP C[C@@H](CCNC(=[NH2+])Nc1ccccc1)[NH+]1CCCCC1 ZINC000273335760 328205057 /nfs/dbraw/zinc/20/50/57/328205057.db2.gz LAKJNCZBJDNOOK-AWEZNQCLSA-N 2 0 274.412 2.678 20 30 CFEDRP Cc1ccc(NC(=[NH2+])NCC2([NH+](C)C)CCC2)cc1C ZINC000275772629 328216133 /nfs/dbraw/zinc/21/61/33/328216133.db2.gz YYYMKYNIQVRKNM-UHFFFAOYSA-N 2 0 274.412 2.514 20 30 CFEDRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185845081 329333229 /nfs/dbraw/zinc/33/32/29/329333229.db2.gz OGALMXXFWLHTGU-HZPDHXFCSA-N 2 0 263.429 2.780 20 30 CFEDRP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1ccc(C#N)cc1 ZINC000582705520 325226966 /nfs/dbraw/zinc/22/69/66/325226966.db2.gz MZYLZKIGFWEYKQ-NVXWUHKLSA-N 2 0 271.408 2.941 20 30 CFEDRP Cc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1C#N ZINC000583720718 325306207 /nfs/dbraw/zinc/30/62/07/325306207.db2.gz VRTROSUDGLSKAA-MSOLQXFVSA-N 2 0 283.419 2.783 20 30 CFEDRP C=CCCCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000568950661 327025202 /nfs/dbraw/zinc/02/52/02/327025202.db2.gz AVIHDHRFPDFAIY-BZUAXINKSA-N 2 0 266.429 2.526 20 30 CFEDRP CC(C)(C#N)CCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000377935895 329035347 /nfs/dbraw/zinc/03/53/47/329035347.db2.gz AWPSAGQJFBNFEP-PMPSAXMXSA-N 2 0 275.440 2.732 20 30 CFEDRP CC(C)(C#N)CCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174871535 329164203 /nfs/dbraw/zinc/16/42/03/329164203.db2.gz OOOGWQLETZIEAM-HNNXBMFYSA-N 2 0 263.429 2.734 20 30 CFEDRP CC(C)[NH2+]C1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000179838410 329212689 /nfs/dbraw/zinc/21/26/89/329212689.db2.gz VOQWLJZLSUGLOL-UHFFFAOYSA-N 2 0 251.418 2.779 20 30 CFEDRP C[C@@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)N1CCC(C)CC1 ZINC000185803150 329329422 /nfs/dbraw/zinc/32/94/22/329329422.db2.gz CRZQSPRUOZFWIP-JYJNAYRXSA-N 2 0 263.429 2.779 20 30 CFEDRP C=CCN(CC=C)[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)C(C)C ZINC000422834794 330156940 /nfs/dbraw/zinc/15/69/40/330156940.db2.gz OFVXDJMXWTYWAP-ABHNRTSZSA-N 2 0 293.499 2.792 20 30 CFEDRP C=CCOc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422906788 330159631 /nfs/dbraw/zinc/15/96/31/330159631.db2.gz KJFMKEXQIQGWTD-ZBFHGGJFSA-N 2 0 274.408 2.859 20 30 CFEDRP C=CCOc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422906782 330159836 /nfs/dbraw/zinc/15/98/36/330159836.db2.gz KJFMKEXQIQGWTD-GDBMZVCRSA-N 2 0 274.408 2.859 20 30 CFEDRP C=C(C)[C@@H]([NH2+][C@@H](CCC[NH3+])COC)c1ccc(F)c(F)c1 ZINC000423044810 330166803 /nfs/dbraw/zinc/16/68/03/330166803.db2.gz BCVOKNOZJYTVCO-XJKSGUPXSA-N 2 0 298.377 2.926 20 30 CFEDRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1CCC(C#N)CC1 ZINC000423102727 330170315 /nfs/dbraw/zinc/17/03/15/330170315.db2.gz ORNLXLMOBQATKT-LTDKPHRXSA-N 2 0 285.435 2.864 20 30 CFEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000423153175 330173009 /nfs/dbraw/zinc/17/30/09/330173009.db2.gz GHFGGAOSLZESPQ-GVAFMPQTSA-N 2 0 255.365 2.803 20 30 CFEDRP CC(C)(CC#N)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423165874 330173948 /nfs/dbraw/zinc/17/39/48/330173948.db2.gz BLWYJVQEOMGFMG-RBSFLKMASA-N 2 0 263.429 2.827 20 30 CFEDRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)CC#N ZINC000423172259 330174419 /nfs/dbraw/zinc/17/44/19/330174419.db2.gz SAILOWQUXMBXRX-KGLIPLIRSA-N 2 0 251.418 2.827 20 30 CFEDRP N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]([NH3+])C2CC2)CC1 ZINC000423312576 330189515 /nfs/dbraw/zinc/18/95/15/330189515.db2.gz DNUFXSTYKNLDGH-LXPRWKDFSA-N 2 0 283.419 2.717 20 30 CFEDRP C[C@@H]([NH3+])[C@@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423454972 330203361 /nfs/dbraw/zinc/20/33/61/330203361.db2.gz ZUDDJPSDMNRGGS-QBBMROGASA-N 2 0 271.408 2.716 20 30 CFEDRP C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)[C@H](C)[NH3+] ZINC000423454970 330203398 /nfs/dbraw/zinc/20/33/98/330203398.db2.gz ZUDDJPSDMNRGGS-HOBHPSKFSA-N 2 0 271.408 2.716 20 30 CFEDRP C=CCC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)C1CC1 ZINC000120986590 330394221 /nfs/dbraw/zinc/39/42/21/330394221.db2.gz WCIXEMQDVSMQSJ-AEFFLSMTSA-N 2 0 293.499 2.594 20 30 CFEDRP C=CCOc1cccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430930877 330576898 /nfs/dbraw/zinc/57/68/98/330576898.db2.gz ADCLDILYRSRSSL-UHFFFAOYSA-N 2 0 286.419 2.827 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@H]2CCC[C@@H]21 ZINC000453287428 331111337 /nfs/dbraw/zinc/11/13/37/331111337.db2.gz FWLRUPSYHUDHTG-QMHWVQJVSA-N 2 0 261.413 2.531 20 30 CFEDRP CC#CCC[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000482158501 331826035 /nfs/dbraw/zinc/82/60/35/331826035.db2.gz QHKUUDBSEBCTQU-UHFFFAOYSA-N 2 0 299.462 2.722 20 30 CFEDRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000577062657 335293799 /nfs/dbraw/zinc/29/37/99/335293799.db2.gz VOHMGRPUFVBVKY-CYBMUJFWSA-N 2 0 294.402 2.766 20 30 CFEDRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000423255790 533866853 /nfs/dbraw/zinc/86/68/53/533866853.db2.gz CTJZCHSPGQURDE-QWHCGFSZSA-N 2 0 275.371 2.738 20 30 CFEDRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(C#N)c(F)c1 ZINC000423472203 533883684 /nfs/dbraw/zinc/88/36/84/533883684.db2.gz MYKOUFGWCNCTLU-YWPYICTPSA-N 2 0 275.371 2.865 20 30 CFEDRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1cccc(C#N)c1 ZINC000423095161 534178673 /nfs/dbraw/zinc/17/86/73/534178673.db2.gz DLIYUGUCXSJKKB-HNAYVOBHSA-N 2 0 293.414 2.649 20 30 CFEDRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(C#N)cc1F ZINC000335014382 525397862 /nfs/dbraw/zinc/39/78/62/525397862.db2.gz ZPYZMZFMBLSKKS-QFWMXSHPSA-N 2 0 261.344 2.618 20 30 CFEDRP C=CCOc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000352527036 526865654 /nfs/dbraw/zinc/86/56/54/526865654.db2.gz VLJMYSNKVXPRMX-INIZCTEOSA-N 2 0 274.408 2.955 20 30 CFEDRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000459721860 536384710 /nfs/dbraw/zinc/38/47/10/536384710.db2.gz BFVWXDHKHPXOJL-CYBMUJFWSA-N 2 0 275.371 2.519 20 30 CFEDRP C=CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccncc1 ZINC000754796201 574120753 /nfs/dbraw/zinc/12/07/53/574120753.db2.gz SVCKKLYDDYRYFV-IKGGRYGDSA-N 2 0 271.408 2.915 20 30 CFEDRP C#CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)cc1 ZINC000733326246 574221410 /nfs/dbraw/zinc/22/14/10/574221410.db2.gz RJNMBNUERLGMQV-KRWDZBQOSA-N 2 0 286.419 2.520 20 30 CFEDRP C#CCOc1ccc(C[NH2+]CC2CC[NH+](CC)CC2)cc1 ZINC000733327433 574221797 /nfs/dbraw/zinc/22/17/97/574221797.db2.gz XGQUGDXQPNWWSZ-UHFFFAOYSA-N 2 0 286.419 2.520 20 30 CFEDRP N#C[C@H]1CC[C@@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925706910 618961725 /nfs/dbraw/zinc/96/17/25/618961725.db2.gz PALGNHJVRGWCCD-IMJJTQAJSA-N 2 0 257.381 2.748 20 30 CFEDRP C#CC[NH+]1CCC(Nc2cc(C)nc(C3CCC3)n2)CC1 ZINC000895811112 619611361 /nfs/dbraw/zinc/61/13/61/619611361.db2.gz NJTVKCKHIAROAY-UHFFFAOYSA-N 2 0 284.407 2.562 20 30 CFEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000237491566 620414451 /nfs/dbraw/zinc/41/44/51/620414451.db2.gz FXXRFETUDCQDRG-GOEBONIOSA-N 2 0 299.418 2.551 20 30 CFEDRP N#CC1CCC(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)CC1 ZINC000903454082 621387906 /nfs/dbraw/zinc/38/79/06/621387906.db2.gz UKSJWCSWWDFVFW-SJJHQCBESA-N 2 0 275.440 2.780 20 30 CFEDRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000903716762 621424482 /nfs/dbraw/zinc/42/44/82/621424482.db2.gz RUDOULNZZBIXJR-LSDHHAIUSA-N 2 0 263.429 2.910 20 30 CFEDRP C=CC[N@@H+](Cc1cccs1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718417 621425716 /nfs/dbraw/zinc/42/57/16/621425716.db2.gz MEMMRSGPAYQAET-HOCLYGCPSA-N 2 0 292.448 2.505 20 30 CFEDRP CC[C@H]1C[N@H+](CCCCC2(C#N)CCC2)CC[C@@H]1[NH3+] ZINC000903746348 621432017 /nfs/dbraw/zinc/43/20/17/621432017.db2.gz GCEQEUMGIMFQSO-GJZGRUSLSA-N 2 0 263.429 2.910 20 30 CFEDRP N#CC1(CCCC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CCC1 ZINC000903742469 621434800 /nfs/dbraw/zinc/43/48/00/621434800.db2.gz ACXNFPMDWKMHIM-INIZCTEOSA-N 2 0 261.413 2.536 20 30 CFEDRP N#CC1(CCCC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CCC1 ZINC000903744954 621435347 /nfs/dbraw/zinc/43/53/47/621435347.db2.gz ZXJVWGMJTLCEBB-XHSDSOJGSA-N 2 0 275.440 2.910 20 30 CFEDRP C[C@@H]1CC[N@H+](CCCCC2(C#N)CCC2)C[C@@H]1C[NH3+] ZINC000903757360 621438579 /nfs/dbraw/zinc/43/85/79/621438579.db2.gz CTIJXGJACZVUCV-CABCVRRESA-N 2 0 263.429 2.767 20 30 CFEDRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000903823577 621449447 /nfs/dbraw/zinc/44/94/47/621449447.db2.gz HYRPWBUWKFZOFM-KDOFPFPSSA-N 2 0 283.419 2.593 20 30 CFEDRP CCC[N@@H+]1CC[C@H](CNC(NC(C)(C)C)=[NH+]CC(C)C)C1 ZINC000912506794 622733856 /nfs/dbraw/zinc/73/38/56/622733856.db2.gz CBOCEHRJVPMXQV-OAHLLOKOSA-N 2 0 296.503 2.708 20 30 CFEDRP C#C[C@H](C)[NH+](C)Cc1ccc(C[N@@H+](C)[C@@H](C)C#C)cc1 ZINC000769961492 625934013 /nfs/dbraw/zinc/93/40/13/625934013.db2.gz LCWNWWGLVONSEU-HOTGVXAUSA-N 2 0 268.404 2.594 20 30 CFEDRP C#CCOc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000835060836 629363750 /nfs/dbraw/zinc/36/37/50/629363750.db2.gz DFNJQFULWKXCRJ-UHFFFAOYSA-N 2 0 286.419 2.663 20 30 CFEDRP C#CC(C)(C)[N@H+](C)CCCN1CCN(c2ccccc2)CC1 ZINC000796045322 629868590 /nfs/dbraw/zinc/86/85/90/629868590.db2.gz UNLWNJBBLUCXQU-UHFFFAOYSA-N 2 0 299.462 2.542 20 30 CFEDRP C=CC[N@H+](Cc1cccc(CN2CCOCC2)c1)C(C)C ZINC000817274630 632591403 /nfs/dbraw/zinc/59/14/03/632591403.db2.gz OTUJRJHJGHETTK-UHFFFAOYSA-N 2 0 288.435 2.915 20 30 CFEDRP CCCCCCCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000817914108 632731698 /nfs/dbraw/zinc/73/16/98/632731698.db2.gz WQWSEXLVMHCSGA-QLFBSQMISA-N 2 0 256.434 2.689 20 30 CFEDRP CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000817917001 632733119 /nfs/dbraw/zinc/73/31/19/632733119.db2.gz CKPYLUNIHOIHLG-ZBFHGGJFSA-N 2 0 289.423 2.975 20 30 CFEDRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(OCC#N)cc1 ZINC000817919567 632734318 /nfs/dbraw/zinc/73/43/18/632734318.db2.gz TXMCQIKUDUQJGH-DZKIICNBSA-N 2 0 287.407 2.628 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000817961458 632760713 /nfs/dbraw/zinc/76/07/13/632760713.db2.gz ZCGTWPGLEKKNLP-YXJHDRRASA-N 2 0 286.419 2.867 20 30 CFEDRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(OCC#N)cc1 ZINC000817964994 632762858 /nfs/dbraw/zinc/76/28/58/632762858.db2.gz MDFUKIGZBCIRTO-CQSZACIVSA-N 2 0 287.407 2.629 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000817970147 632768772 /nfs/dbraw/zinc/76/87/72/632768772.db2.gz MQHDHYGLKVQDTL-NUEKZKHPSA-N 2 0 272.392 2.619 20 30 CFEDRP CCCCCCCCNC(=[NH2+])NCC1=CC[N@H+](C)CC1 ZINC000849016682 633462330 /nfs/dbraw/zinc/46/23/30/633462330.db2.gz CWFZXZCCOJAFRY-UHFFFAOYSA-N 2 0 280.460 2.723 20 30 CFEDRP C#CCOc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1 ZINC000113324392 635553660 /nfs/dbraw/zinc/55/36/60/635553660.db2.gz WUVHGSWXEYLPCI-INIZCTEOSA-N 2 0 286.419 2.520 20 30 CFEDRP C#CCOc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000113324394 635554318 /nfs/dbraw/zinc/55/43/18/635554318.db2.gz WUVHGSWXEYLPCI-MRXNPFEDSA-N 2 0 286.419 2.520 20 30 CFEDRP Cc1nccn1C[C@H](C)C[NH2+][C@H](C)c1cccc(C#N)c1[O-] ZINC000866259008 638781981 /nfs/dbraw/zinc/78/19/81/638781981.db2.gz FGYBJLNVFYPVSI-CHWSQXEVSA-N 2 0 298.390 2.756 20 30 CFEDRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(C#N)c1 ZINC000873263537 642107102 /nfs/dbraw/zinc/10/71/02/642107102.db2.gz JFRONPFVNOQQRM-QIJZBDPFSA-N 2 0 269.392 2.739 20 30 CFEDRP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)C1CC[NH2+]CC1 ZINC000873267888 642110433 /nfs/dbraw/zinc/11/04/33/642110433.db2.gz LLUKUTKVGPUXHW-NEPJUHHUSA-N 2 0 275.371 2.736 20 30 CFEDRP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c3ccccc31)C2 ZINC000873274941 642114901 /nfs/dbraw/zinc/11/49/01/642114901.db2.gz HXWYETFUOLPIIZ-AYOQOUSVSA-N 2 0 289.382 2.760 20 30 CFEDRP C#CCCCCCC[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000877054725 643123541 /nfs/dbraw/zinc/12/35/41/643123541.db2.gz KJJPEEPGKWOCNN-QGZVFWFLSA-N 2 0 292.467 2.661 20 30 CFEDRP C#CCCCCCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000877477223 643294345 /nfs/dbraw/zinc/29/43/45/643294345.db2.gz AKJZRRYFVHINCH-MRXNPFEDSA-N 2 0 250.430 2.986 20 30 CFEDRP C#Cc1ccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)cc1 ZINC000877684134 643453066 /nfs/dbraw/zinc/45/30/66/643453066.db2.gz HTZCXOUMRIPUNY-UHFFFAOYSA-N 2 0 282.431 2.976 20 30 CFEDRP C#CCCCCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000878016373 643694504 /nfs/dbraw/zinc/69/45/04/643694504.db2.gz WNXHXQBRMVCYAX-UHFFFAOYSA-N 2 0 292.467 2.614 20 30 CFEDRP CCCC[C@H](CC)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000303713800 650999426 /nfs/dbraw/zinc/99/94/26/650999426.db2.gz QYUOVLZLPMYSQD-GJZGRUSLSA-N 2 0 282.476 2.591 20 30 CFEDRP CCC(CC)[C@H](CNC(=[NH2+])N(CC)CC)[NH+]1CCCC1 ZINC000303772282 651001026 /nfs/dbraw/zinc/00/10/26/651001026.db2.gz DLPYFNZRGRABPN-HNNXBMFYSA-N 2 0 282.476 2.544 20 30 CFEDRP CCCCCCNC(=[NH2+])NC[C@H](c1ccccc1)N(C)C ZINC000303719220 651000303 /nfs/dbraw/zinc/00/03/03/651000303.db2.gz VRNRCVCVCCLZDY-MRXNPFEDSA-N 2 0 290.455 2.774 20 30 CFEDRP Cc1cccc(NC(=[NH2+])NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000303787223 651002410 /nfs/dbraw/zinc/00/24/10/651002410.db2.gz SHJGEAOMBZYGEX-HNNXBMFYSA-N 2 0 288.439 2.986 20 30 CFEDRP CC(C)CCNC(=[NH2+])NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303869759 651004832 /nfs/dbraw/zinc/00/48/32/651004832.db2.gz BAZZXGNPUCVPNJ-IYBDPMFKSA-N 2 0 296.503 2.695 20 30 CFEDRP C[C@H]1CCCN(C(=[NH2+])NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000303877493 651004928 /nfs/dbraw/zinc/00/49/28/651004928.db2.gz FIIVBTRJRJLRNW-GOEBONIOSA-N 2 0 294.487 2.544 20 30 CFEDRP CCc1ccc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000303906381 651008272 /nfs/dbraw/zinc/00/82/72/651008272.db2.gz ZYAWREJAYPRPFY-AWEZNQCLSA-N 2 0 288.439 2.708 20 30 CFEDRP CCc1cccc(NC(=[NH2+])NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000303894793 651006933 /nfs/dbraw/zinc/00/69/33/651006933.db2.gz PBGFETKZKVKSBA-AWEZNQCLSA-N 2 0 288.439 2.850 20 30 CFEDRP CCCCCCNC(=[NH2+])NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000303895725 651007283 /nfs/dbraw/zinc/00/72/83/651007283.db2.gz PNRKJZYSFBBTEJ-INIZCTEOSA-N 2 0 296.503 2.983 20 30 CFEDRP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCO1 ZINC000883173881 645639755 /nfs/dbraw/zinc/63/97/55/645639755.db2.gz WKFGPXTUNQDHIY-LTIDMASMSA-N 2 0 278.440 2.717 20 30 CFEDRP C=CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCC)C1)[C@@H]1CCCO1 ZINC000883175460 645641846 /nfs/dbraw/zinc/64/18/46/645641846.db2.gz HXIXAVBCTHWPLW-IKGGRYGDSA-N 2 0 280.456 2.822 20 30 CFEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000304762019 651033551 /nfs/dbraw/zinc/03/35/51/651033551.db2.gz VCYULLOMGDTZLP-MRXNPFEDSA-N 2 0 288.439 2.904 20 30 CFEDRP CC(C)[NH+](CCCNC(=[NH2+])N1CCC[C@H](C)C1)C(C)C ZINC000304804861 651035722 /nfs/dbraw/zinc/03/57/22/651035722.db2.gz QVQOAOUMFMQFMI-HNNXBMFYSA-N 2 0 282.476 2.542 20 30 CFEDRP CCC[NH+](CCC)CCCNC(=[NH2+])N1CCCCCC1 ZINC000305079095 651044945 /nfs/dbraw/zinc/04/49/45/651044945.db2.gz RKWFVKYIMUCOCN-UHFFFAOYSA-N 2 0 282.476 2.689 20 30 CFEDRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000887130328 647221475 /nfs/dbraw/zinc/22/14/75/647221475.db2.gz BJLIPMKBMAQOKT-OAHLLOKOSA-N 2 0 292.386 2.664 20 30 CFEDRP C=C(C)C[NH+]1CCC(N[C@@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925608954 648237761 /nfs/dbraw/zinc/23/77/61/648237761.db2.gz MNLWSZUSKSRGNX-MAUKXSAKSA-N 2 0 287.451 2.705 20 30 CFEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926534729 648521895 /nfs/dbraw/zinc/52/18/95/648521895.db2.gz VPYSUDYAECWISG-SJORKVTESA-N 2 0 280.456 2.820 20 30 CFEDRP C#CCC1([NH2+]C/C=C/C[NH2+]C2(CC#C)CCC2)CCC1 ZINC000933295435 649685768 /nfs/dbraw/zinc/68/57/68/649685768.db2.gz UBDUVAIQESRJKK-AATRIKPKSA-N 2 0 270.420 2.614 20 30 CFEDRP C[N@@H+]1C[C@@H]2CN(Cc3ccccc3C(C)(C)C#N)C[C@]2(C)C1 ZINC000933738534 649718819 /nfs/dbraw/zinc/71/88/19/649718819.db2.gz IDKDIYVTOREHRL-APWZRJJASA-N 2 0 297.446 2.871 20 30 CFEDRP C[C@@H](CNC(=[NH2+])NC1CCCCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000305747781 651074787 /nfs/dbraw/zinc/07/47/87/651074787.db2.gz TYSWVLBWCTXXIQ-GJZGRUSLSA-N 2 0 294.487 2.734 20 30 CFEDRP CCCCCCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001128783575 780832896 /nfs/dbraw/zinc/83/28/96/780832896.db2.gz IGKHTOBSHFDIRH-MRXNPFEDSA-N 2 0 297.487 2.537 20 30 CFEDRP CCc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)ccc1C#N ZINC001206810891 770009057 /nfs/dbraw/zinc/00/90/57/770009057.db2.gz QNICLJPZTIGVFQ-ZFWWWQNUSA-N 2 0 271.408 2.680 20 30 CFEDRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000695793044 776013034 /nfs/dbraw/zinc/01/30/34/776013034.db2.gz XEKILURIZCFZHQ-UONOGXRCSA-N 2 0 251.418 2.636 20 30 CFEDRP C#C[C@H]1CCC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232146214 777450988 /nfs/dbraw/zinc/45/09/88/777450988.db2.gz LVOWGTDFHZZYBH-AWEZNQCLSA-N 2 0 274.383 2.733 20 30 CFEDRP C[NH+](C)C1CCC([NH2+]CCCCCCS)CC1 ZINC001168312215 778423254 /nfs/dbraw/zinc/42/32/54/778423254.db2.gz LNQPPVCFFLILCH-UHFFFAOYSA-N 2 0 258.475 2.939 20 30 CFEDRP CCCCCCC[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235404052 778477824 /nfs/dbraw/zinc/47/78/24/778477824.db2.gz MBOXFDQXZXPBCI-GJZGRUSLSA-N 2 0 256.409 2.980 20 30 CFEDRP C#Cc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235422470 778485834 /nfs/dbraw/zinc/48/58/34/778485834.db2.gz DBTHBIUENOZRGV-MOPGFXCFSA-N 2 0 282.431 2.880 20 30 CFEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001235929474 778613830 /nfs/dbraw/zinc/61/38/30/778613830.db2.gz PWPJUABILYKWJY-IXDOHACOSA-N 2 0 260.425 2.830 20 30 CFEDRP C=CC[NH2+]CCN1CCC(CC2CC[NH+](CC)CC2)CC1 ZINC001236192190 778731616 /nfs/dbraw/zinc/73/16/16/778731616.db2.gz GHHZJZBNFNGMHR-UHFFFAOYSA-N 2 0 293.499 2.596 20 30 CFEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC001236820331 778953162 /nfs/dbraw/zinc/95/31/62/778953162.db2.gz QPZSJSSUNQEBJS-LTIDMASMSA-N 2 0 260.425 2.958 20 30 CFEDRP CCC[N@@H+](Cc1ccc(C#N)c(CC)c1)C[C@@H]1CC[NH2+]C1 ZINC001236844930 778963282 /nfs/dbraw/zinc/96/32/82/778963282.db2.gz XNHJRYBUOJKORY-MRXNPFEDSA-N 2 0 285.435 2.942 20 30 CFEDRP N#Cc1cccc(CCC[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237379753 779085688 /nfs/dbraw/zinc/08/56/88/779085688.db2.gz CWRYXZJVFGNQFA-ZWKOTPCHSA-N 2 0 283.419 2.565 20 30 CFEDRP N#CC1(c2ccccc2C2=CCC[NH2+]CC2)CC[NH2+]CC1 ZINC001238944434 779423310 /nfs/dbraw/zinc/42/33/10/779423310.db2.gz AJOVNPJNRUKVAC-UHFFFAOYSA-N 2 0 281.403 2.598 20 30 CFEDRP N#Cc1cc(-c2cccc3c2C[NH2+]CC3)cc(C2C[NH2+]C2)c1 ZINC001240350946 780102064 /nfs/dbraw/zinc/10/20/64/780102064.db2.gz LABMEFJEJNTBHG-UHFFFAOYSA-N 2 0 289.382 2.558 20 30 CFEDRP N#Cc1cc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)ccn1 ZINC001241195920 780698162 /nfs/dbraw/zinc/69/81/62/780698162.db2.gz MQRQHESLNHOAKA-UHFFFAOYSA-N 2 0 292.386 2.543 20 30 CFEDRP N#CC1(c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000594926937 349512392 /nfs/dbraw/zinc/51/23/92/349512392.db2.gz XZDPCMNLKRIOKG-ZWKOTPCHSA-N 2 0 295.430 2.958 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(C#N)cc2)[C@@H]2CCC[C@H]21 ZINC000595055989 349567295 /nfs/dbraw/zinc/56/72/95/349567295.db2.gz ODGAIDDKUQRAKL-OKZBNKHCSA-N 2 0 283.419 2.563 20 30 CFEDRP N#Cc1ccc(CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000595334798 349604705 /nfs/dbraw/zinc/60/47/05/349604705.db2.gz VYYSPGRBIJEIHE-GOSISDBHSA-N 2 0 283.419 2.518 20 30 CFEDRP N#Cc1ccc(CC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000595289061 349590830 /nfs/dbraw/zinc/59/08/30/349590830.db2.gz DAPDHRITHILOJU-UHFFFAOYSA-N 2 0 297.446 2.909 20 30 CFEDRP C[C@@H]1C[NH+](CC2CC[NH+](CCCCC#N)CC2)C[C@@H](C)O1 ZINC000069016833 346879744 /nfs/dbraw/zinc/87/97/44/346879744.db2.gz CQZFMXLVOBWYFD-HZPDHXFCSA-N 2 0 293.455 2.501 20 30 CFEDRP N#Cc1ccc(CC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000595895473 349764623 /nfs/dbraw/zinc/76/46/23/349764623.db2.gz NTGXUKZDFXCRNQ-RBUKOAKNSA-N 2 0 297.446 2.812 20 30 CFEDRP N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000596059526 349783582 /nfs/dbraw/zinc/78/35/82/349783582.db2.gz PQWOACVHMIKIRK-GOSISDBHSA-N 2 0 283.419 2.770 20 30 CFEDRP CCNC(NCc1ccccc1C[NH+](CC)CC)=[NH+]CC ZINC000066242425 346751269 /nfs/dbraw/zinc/75/12/69/346751269.db2.gz QMVNFBRZBJUUMV-UHFFFAOYSA-N 2 0 290.455 2.603 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000591577039 349031206 /nfs/dbraw/zinc/03/12/06/349031206.db2.gz YDLVJCYADWBHLW-QGZVFWFLSA-N 2 0 269.392 2.525 20 30 CFEDRP CC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000591578302 349031615 /nfs/dbraw/zinc/03/16/15/349031615.db2.gz NEBHGGIHWDJYMA-HOTGVXAUSA-N 2 0 257.381 2.741 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000591578387 349031800 /nfs/dbraw/zinc/03/18/00/349031800.db2.gz YPAUMUOCTJDMTH-INMHGKMJSA-N 2 0 269.392 2.795 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000591582272 349033007 /nfs/dbraw/zinc/03/30/07/349033007.db2.gz CVLNWWRCMCTKSD-KRWDZBQOSA-N 2 0 269.392 2.667 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000592391584 349114753 /nfs/dbraw/zinc/11/47/53/349114753.db2.gz CJSDTQLDTISKLN-YOEHRIQHSA-N 2 0 271.408 2.573 20 30 CFEDRP C[N@@H+]1CCCC[C@@H]1CCN1CCc2c(CC#N)cccc2C1 ZINC000599686006 350481943 /nfs/dbraw/zinc/48/19/43/350481943.db2.gz LTOKOBKWAIWKQM-GOSISDBHSA-N 2 0 297.446 2.985 20 30 CFEDRP CC[NH2+]CC1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC000600701922 350598031 /nfs/dbraw/zinc/59/80/31/350598031.db2.gz HTVDXBDVLQPTNY-UHFFFAOYSA-N 2 0 271.408 2.688 20 30 CFEDRP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1C#N ZINC000600709972 350599033 /nfs/dbraw/zinc/59/90/33/350599033.db2.gz MKIXLSMBQVAIOX-DLBZAZTESA-N 2 0 283.419 2.688 20 30 CFEDRP CC[NH+]1CCC(CC[NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000602012403 350830704 /nfs/dbraw/zinc/83/07/04/350830704.db2.gz VIANHAVYHNAYJG-UHFFFAOYSA-N 2 0 289.398 2.909 20 30 CFEDRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000602019099 350833283 /nfs/dbraw/zinc/83/32/83/350833283.db2.gz AVEGEOJEFAKZQI-DOTOQJQBSA-N 2 0 283.419 2.913 20 30 CFEDRP C[C@@H](CCC#N)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000602477585 350898685 /nfs/dbraw/zinc/89/86/85/350898685.db2.gz TUIWZCZNTPQZPQ-JKSUJKDBSA-N 2 0 263.429 2.734 20 30 CFEDRP C[C@@H](C[NH2+]C1CCC(C#N)CC1)C[NH+]1CCCCC1 ZINC000602517263 350912245 /nfs/dbraw/zinc/91/22/45/350912245.db2.gz DQSVRAMRCHGKOG-FHERZECASA-N 2 0 263.429 2.780 20 30 CFEDRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602474287 350896204 /nfs/dbraw/zinc/89/62/04/350896204.db2.gz GHZMVZCOUXOMAA-CABCVRRESA-N 2 0 251.418 2.590 20 30 CFEDRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccnc(C#N)c1 ZINC000603109706 351105064 /nfs/dbraw/zinc/10/50/64/351105064.db2.gz FEPJXSXMHSRTME-UHFFFAOYSA-N 2 0 286.423 2.651 20 30 CFEDRP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc(C#N)c1 ZINC000611388859 351679452 /nfs/dbraw/zinc/67/94/52/351679452.db2.gz KUQVCMNTOPUJLX-CZUORRHYSA-N 2 0 257.381 2.693 20 30 CFEDRP C=C(C)CN1CCC([NH2+][C@@H](C)c2ccncc2)CC1 ZINC000156626597 188273256 /nfs/dbraw/zinc/27/32/56/188273256.db2.gz REXOBHZNSXWJFQ-AWEZNQCLSA-N 2 0 259.397 2.773 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])CC2 ZINC000423281680 283198699 /nfs/dbraw/zinc/19/86/99/283198699.db2.gz UJGMUKAYVUFBGV-DJIMGWMZSA-N 2 0 269.392 2.653 20 30 CFEDRP C=CCCC[C@@H](C)[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000574336258 335011675 /nfs/dbraw/zinc/01/16/75/335011675.db2.gz BEWCJDKKWPWEME-OAHLLOKOSA-N 2 0 268.445 2.556 20 30 CFEDRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000037644418 372681896 /nfs/dbraw/zinc/68/18/96/372681896.db2.gz YANBGHFCZOMOFL-GJZGRUSLSA-N 2 0 287.407 2.581 20 30 CFEDRP [NH2+]=C(NCCCc1nc2ccccc2[nH]1)NC1CCCCC1 ZINC000264077215 383693169 /nfs/dbraw/zinc/69/31/69/383693169.db2.gz GEKZCWDOUACUQT-UHFFFAOYSA-N 2 0 299.422 2.733 20 30 CFEDRP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000264088001 383695166 /nfs/dbraw/zinc/69/51/66/383695166.db2.gz KDBVBDWBMXAVFQ-CQSZACIVSA-N 2 0 274.412 2.534 20 30 CFEDRP CCCCNC(=[NH2+])NCc1ccc(C[NH+](CC)CC)cc1 ZINC000104157961 375770543 /nfs/dbraw/zinc/77/05/43/375770543.db2.gz WDDJLMOLOMFFPX-UHFFFAOYSA-N 2 0 290.455 2.733 20 30 CFEDRP C=C(C)C[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000122090167 376922644 /nfs/dbraw/zinc/92/26/44/376922644.db2.gz JOEDKGWVPCOSOU-UHFFFAOYSA-N 2 0 268.445 2.633 20 30 CFEDRP C=CCC[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCCC)CC1 ZINC000128836922 377357107 /nfs/dbraw/zinc/35/71/07/377357107.db2.gz JCZAYCJAIDYWMW-QGZVFWFLSA-N 2 0 282.472 2.757 20 30 CFEDRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc(C#N)cs3)C2)CC1 ZINC000335673950 379700972 /nfs/dbraw/zinc/70/09/72/379700972.db2.gz IBPUDRHPZSJNSS-OAHLLOKOSA-N 2 0 289.448 2.783 20 30 CFEDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000175008601 379978365 /nfs/dbraw/zinc/97/83/65/379978365.db2.gz ITRTZUUISFVHNK-JKSUJKDBSA-N 2 0 257.381 2.521 20 30 CFEDRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cc(C#N)cs2)c1 ZINC000177683430 380367595 /nfs/dbraw/zinc/36/75/95/380367595.db2.gz ZNMNEENYWAUVBF-UHFFFAOYSA-N 2 0 285.416 2.971 20 30 CFEDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000181875190 380923592 /nfs/dbraw/zinc/92/35/92/380923592.db2.gz RSZVKTJLMZENIT-WMLDXEAASA-N 2 0 289.423 2.566 20 30 CFEDRP C#C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000289630480 381077315 /nfs/dbraw/zinc/07/73/15/381077315.db2.gz WVLOEQKQYQOSQQ-DZOHQFGASA-N 2 0 268.404 2.508 20 30 CFEDRP C#Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000290068722 381287034 /nfs/dbraw/zinc/28/70/34/381287034.db2.gz PUBLLAPMJHFLTL-YJBOKZPZSA-N 2 0 270.420 2.830 20 30 CFEDRP C=C(C)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000347707199 381307635 /nfs/dbraw/zinc/30/76/35/381307635.db2.gz QBVPOOAJFZPGMS-UHFFFAOYSA-N 2 0 267.376 2.933 20 30 CFEDRP C=CC[NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000184743391 381471986 /nfs/dbraw/zinc/47/19/86/381471986.db2.gz SQMRIHQNROGIMH-FKEKPDDDSA-N 2 0 258.409 2.919 20 30 CFEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CC#N)[C@@H](C)C1 ZINC000414166334 381565360 /nfs/dbraw/zinc/56/53/60/381565360.db2.gz NIMODUFEMVQVBQ-JKSUJKDBSA-N 2 0 295.471 2.653 20 30 CFEDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC1(C#N)CC1 ZINC000343563974 381800320 /nfs/dbraw/zinc/80/03/20/381800320.db2.gz NEWRJPQHHPMENP-UHFFFAOYSA-N 2 0 298.434 2.924 20 30 CFEDRP C#CCCOc1ccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292812958 381845969 /nfs/dbraw/zinc/84/59/69/381845969.db2.gz OZNSVEZQZTZZNK-IBGZPJMESA-N 2 0 298.430 2.616 20 30 CFEDRP N#Cc1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c(F)c1 ZINC000365551139 382410901 /nfs/dbraw/zinc/41/09/01/382410901.db2.gz VKBYLLASXRHZGF-RYRKJORJSA-N 2 0 299.393 2.613 20 30 CFEDRP C=CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000346848493 382542309 /nfs/dbraw/zinc/54/23/09/382542309.db2.gz DVAQAKAVTUKIOT-RYQLBKOJSA-N 2 0 286.419 2.811 20 30 CFEDRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442764201 382953109 /nfs/dbraw/zinc/95/31/09/382953109.db2.gz CNNBIDMYUTXCSQ-RHSMWYFYSA-N 2 0 271.408 2.920 20 30 CFEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000442877495 382963248 /nfs/dbraw/zinc/96/32/48/382963248.db2.gz ZNTYNOGOZSZTDI-BKAAIYKLSA-N 2 0 263.429 2.635 20 30 CFEDRP C=CCOCCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000578572183 382932624 /nfs/dbraw/zinc/93/26/24/382932624.db2.gz YXXRGSJWSTZDIZ-UHFFFAOYSA-N 2 0 268.445 2.631 20 30 CFEDRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000423033518 383022482 /nfs/dbraw/zinc/02/24/82/383022482.db2.gz ONGRSHRZGRWXFX-RYUDHWBXSA-N 2 0 263.360 2.865 20 30 CFEDRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1cccc(C#N)c1 ZINC000423460382 383103928 /nfs/dbraw/zinc/10/39/28/383103928.db2.gz AVXJOHVZXLSUOD-NOLJZWGESA-N 2 0 257.381 2.726 20 30 CFEDRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc(C#N)cc1F ZINC000423472346 383109519 /nfs/dbraw/zinc/10/95/19/383109519.db2.gz NENIGPYUWCEMFG-UBHSHLNASA-N 2 0 275.371 2.865 20 30 CFEDRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(C#N)c(F)c1 ZINC000423483926 383115721 /nfs/dbraw/zinc/11/57/21/383115721.db2.gz QIVYNQOOMILZQH-DOMZBBRYSA-N 2 0 275.371 2.880 20 30 CFEDRP C[C@H]1C[C@H](CC[NH2+]CCC#N)C[N@@H+]1Cc1ccccc1 ZINC000566117359 383183717 /nfs/dbraw/zinc/18/37/17/383183717.db2.gz UNKYUVAGXKHOOY-RDJZCZTQSA-N 2 0 271.408 2.790 20 30 CFEDRP N#C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000516174714 383162474 /nfs/dbraw/zinc/16/24/74/383162474.db2.gz QDQSGINDLRTPIP-OAOQPFQOSA-N 2 0 297.402 2.524 20 30 CFEDRP Cc1cc(NC[C@H](c2ccco2)[NH+]2CCCC2)c(C#N)cn1 ZINC000425201714 383339444 /nfs/dbraw/zinc/33/94/44/383339444.db2.gz OCACKHFTNXFSHU-MRXNPFEDSA-N 2 0 296.374 2.526 20 30 CFEDRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(C#N)c1 ZINC000251500374 383388884 /nfs/dbraw/zinc/38/88/84/383388884.db2.gz FSYAOQUIVDKIPE-JQFCIGGWSA-N 2 0 269.392 2.836 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(C#N)c1 ZINC000251500376 383389254 /nfs/dbraw/zinc/38/92/54/383389254.db2.gz FSYAOQUIVDKIPE-XKQJLSEDSA-N 2 0 269.392 2.836 20 30 CFEDRP C=CCC[C@H](CO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000449694688 383360805 /nfs/dbraw/zinc/36/08/05/383360805.db2.gz CDLLUNJVMKFTIH-MRXNPFEDSA-N 2 0 280.456 2.700 20 30 CFEDRP C=CCN(Cc1ccccc1F)C[C@]1(C)CC[NH2+]C1 ZINC000261903924 383578503 /nfs/dbraw/zinc/57/85/03/383578503.db2.gz WOISOZWJKKTSPQ-MRXNPFEDSA-N 2 0 262.372 2.813 20 30 CFEDRP C=CCOc1cccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000435437638 383775696 /nfs/dbraw/zinc/77/56/96/383775696.db2.gz LQDHIWRXTXOLSL-INIZCTEOSA-N 2 0 274.408 2.825 20 30 CFEDRP C=CCC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435619702 383777739 /nfs/dbraw/zinc/77/77/39/383777739.db2.gz ZVGSZYBPYPECAC-INIZCTEOSA-N 2 0 259.397 2.602 20 30 CFEDRP C#CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000266160708 384098554 /nfs/dbraw/zinc/09/85/54/384098554.db2.gz NKMSULXSJWVZNR-QAPCUYQASA-N 2 0 286.419 2.519 20 30 CFEDRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(C#N)c1 ZINC000423348881 533438334 /nfs/dbraw/zinc/43/83/34/533438334.db2.gz USNZVGJKPDYOFK-CZUORRHYSA-N 2 0 257.381 2.599 20 30 CFEDRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423445238 533539033 /nfs/dbraw/zinc/53/90/33/533539033.db2.gz XRNRMOFAKOHZKA-RYUDHWBXSA-N 2 0 263.360 2.865 20 30 CFEDRP N#Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000334983412 393630940 /nfs/dbraw/zinc/63/09/40/393630940.db2.gz KAMCJXPHDAABDW-IRXDYDNUSA-N 2 0 269.392 2.522 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000339085123 393816706 /nfs/dbraw/zinc/81/67/06/393816706.db2.gz PCQVNNMOWNMTRX-CAOSSQGBSA-N 2 0 275.440 2.921 20 30 CFEDRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000422974046 394260332 /nfs/dbraw/zinc/26/03/32/394260332.db2.gz QDVYETMGXUJRIR-XEZPLFJOSA-N 2 0 257.381 2.597 20 30 CFEDRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc(C#N)c(F)c1 ZINC000423277191 394275915 /nfs/dbraw/zinc/27/59/15/394275915.db2.gz NWDXPEJGZBQBAA-PEYYIBSZSA-N 2 0 275.371 2.865 20 30 CFEDRP CC#CCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000155324626 394315080 /nfs/dbraw/zinc/31/50/80/394315080.db2.gz YXYGHTZIPUEMEJ-KRWDZBQOSA-N 2 0 262.441 2.844 20 30 CFEDRP C=C(C)[C@@H](CO)[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000649407199 395487432 /nfs/dbraw/zinc/48/74/32/395487432.db2.gz OQPFGBCFYMZUNB-GOSISDBHSA-N 2 0 294.483 2.757 20 30 CFEDRP C=CCOCCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000348027807 397657716 /nfs/dbraw/zinc/65/77/16/397657716.db2.gz GKTKGPJQWWBEHT-JKSUJKDBSA-N 2 0 280.456 2.822 20 30 CFEDRP C=CCOc1cccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000663497573 413242425 /nfs/dbraw/zinc/24/24/25/413242425.db2.gz CCPDUCRPEVCLPW-MRXNPFEDSA-N 2 0 262.397 2.714 20 30 CFEDRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(C#N)cc1 ZINC000422977224 287011396 /nfs/dbraw/zinc/01/13/96/287011396.db2.gz WKZVJNYPEVIVPR-XEBKBJJBSA-N 2 0 257.381 2.726 20 30 CFEDRP C=CC[C@H]1CC[C@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000657572635 413762761 /nfs/dbraw/zinc/76/27/61/413762761.db2.gz DJCCICOLGPFEOI-ULQDDVLXSA-N 2 0 281.488 2.593 20 30 CFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000657871667 414017553 /nfs/dbraw/zinc/01/75/53/414017553.db2.gz WJTDAHOJZHLNRR-KURKYZTESA-N 2 0 293.499 2.594 20 30 CFEDRP C=CCC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658140017 414234266 /nfs/dbraw/zinc/23/42/66/414234266.db2.gz RWIQZIYQRQILKK-YJBOKZPZSA-N 2 0 288.435 2.698 20 30 CFEDRP C=CCOc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655826464 414463249 /nfs/dbraw/zinc/46/32/49/414463249.db2.gz WRSHNIQZLFFFTP-IYBDPMFKSA-N 2 0 274.408 2.681 20 30 CFEDRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000044534998 175198188 /nfs/dbraw/zinc/19/81/88/175198188.db2.gz TZCCZCSSZDAOHU-ZFWWWQNUSA-N 2 0 257.381 2.551 20 30 CFEDRP C=CCCCC[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000449125140 260232255 /nfs/dbraw/zinc/23/22/55/260232255.db2.gz RWMAYBQWRITVRQ-IAGOWNOFSA-N 2 0 282.472 2.804 20 30 CFEDRP C(#Cc1ccccc1)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248915374 261217049 /nfs/dbraw/zinc/21/70/49/261217049.db2.gz ZNPSRPVYZZVWBC-ICSRJNTNSA-N 2 0 294.442 2.987 20 30 CFEDRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCCC(C)(C)C#N)C1 ZINC000336820649 262397314 /nfs/dbraw/zinc/39/73/14/262397314.db2.gz DVIXEOSEAKQQHQ-INIZCTEOSA-N 2 0 277.456 2.980 20 30 CFEDRP C=CCOc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000414827375 263056130 /nfs/dbraw/zinc/05/61/30/263056130.db2.gz BKTRANQYKWDWCV-OAHLLOKOSA-N 2 0 274.408 2.731 20 30 CFEDRP N#CCCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280617912 263063306 /nfs/dbraw/zinc/06/33/06/263063306.db2.gz YBGQAKOIFFSEHA-HDICACEKSA-N 2 0 283.419 2.744 20 30 CFEDRP N#C[C@H]1CC[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000293943477 263152549 /nfs/dbraw/zinc/15/25/49/263152549.db2.gz BFKNTSOSUKNJQD-OKYOBFRVSA-N 2 0 295.430 2.742 20 30 CFEDRP C=CCOc1cccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000414977292 263177522 /nfs/dbraw/zinc/17/75/22/263177522.db2.gz REJUFGGQXIEJSY-MRXNPFEDSA-N 2 0 274.408 2.729 20 30 CFEDRP C=CCOc1ccccc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415004248 263209079 /nfs/dbraw/zinc/20/90/79/263209079.db2.gz YCGABKNJLQEXKI-HOCLYGCPSA-N 2 0 274.408 2.859 20 30 CFEDRP C=CCOc1cccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000415124986 263274270 /nfs/dbraw/zinc/27/42/70/263274270.db2.gz KUCDWMILLRRQAU-GOEBONIOSA-N 2 0 274.408 2.668 20 30 CFEDRP C=CCCC[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000341133842 263323810 /nfs/dbraw/zinc/32/38/10/263323810.db2.gz WXVQMNUJNLNUPK-OKZBNKHCSA-N 2 0 293.499 2.689 20 30 CFEDRP C=CC[C@H](CO)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000341891068 263364036 /nfs/dbraw/zinc/36/40/36/263364036.db2.gz UYWSYTFFVLCUHR-BQFCYCMXSA-N 2 0 294.483 2.804 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000370670713 267337831 /nfs/dbraw/zinc/33/78/31/267337831.db2.gz GMOBMLXXFFITFI-RYQLBKOJSA-N 2 0 298.430 2.976 20 30 CFEDRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000423441138 274208145 /nfs/dbraw/zinc/20/81/45/274208145.db2.gz UIKJZIOEGPFMGA-LRDDRELGSA-N 2 0 257.381 2.653 20 30 CFEDRP C[C@@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)C[NH+]1CCCC1 ZINC000353414624 274226318 /nfs/dbraw/zinc/22/63/18/274226318.db2.gz UAPLLXPIMUJSAV-KSSFIOAISA-N 2 0 283.419 2.867 20 30 CFEDRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000164514437 278342989 /nfs/dbraw/zinc/34/29/89/278342989.db2.gz SYGHXWHFWDDOOC-CQSZACIVSA-N 2 0 271.408 2.941 20 30 CFEDRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000423486373 278346352 /nfs/dbraw/zinc/34/63/52/278346352.db2.gz SLMBXQFIRUVQJR-CZUORRHYSA-N 2 0 257.381 2.741 20 30 CFEDRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000414172596 278348584 /nfs/dbraw/zinc/34/85/84/278348584.db2.gz FNINKNWURLRLBT-GDBMZVCRSA-N 2 0 271.408 2.941 20 30 CFEDRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(C#N)cc1 ZINC000423433295 279486570 /nfs/dbraw/zinc/48/65/70/279486570.db2.gz XANGERDPQWUIQS-DZKIICNBSA-N 2 0 271.408 2.974 20 30 CFEDRP C[NH+](C)C[C@H]1CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411267148 328081426 /nfs/dbraw/zinc/08/14/26/328081426.db2.gz KZKPUZIMGJIWRO-OAHLLOKOSA-N 2 0 263.429 2.734 20 30 CFEDRP C[NH+](C)CCCCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000267333582 328177380 /nfs/dbraw/zinc/17/73/80/328177380.db2.gz RPSNMSKIEWINFN-UHFFFAOYSA-N 2 0 288.439 2.634 20 30 CFEDRP C=C(C)C[N@@H+](C)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000353165334 328189647 /nfs/dbraw/zinc/18/96/47/328189647.db2.gz SWGJJVFVHKLJBC-UHFFFAOYSA-N 2 0 287.451 2.836 20 30 CFEDRP C[NH+]1CCC(C)(C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000227329490 329271917 /nfs/dbraw/zinc/27/19/17/329271917.db2.gz ZDTYACMSCLUTCS-UHFFFAOYSA-N 2 0 251.418 2.638 20 30 CFEDRP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1ccc(C#N)cc1 ZINC000582705519 325226822 /nfs/dbraw/zinc/22/68/22/325226822.db2.gz MZYLZKIGFWEYKQ-DOTOQJQBSA-N 2 0 271.408 2.941 20 30 CFEDRP C=CCC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177510287 329185281 /nfs/dbraw/zinc/18/52/81/329185281.db2.gz GXKJKLSCNBXVGJ-IYBDPMFKSA-N 2 0 280.456 2.774 20 30 CFEDRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185821216 329329851 /nfs/dbraw/zinc/32/98/51/329329851.db2.gz JUUFYLSGQVULNK-HZPDHXFCSA-N 2 0 263.429 2.780 20 30 CFEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185821673 329330006 /nfs/dbraw/zinc/33/00/06/329330006.db2.gz VKOJDEXGOMKSAE-ARFHVFGLSA-N 2 0 263.429 2.779 20 30 CFEDRP C=CC[C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422983937 330162756 /nfs/dbraw/zinc/16/27/56/330162756.db2.gz VXXWLTUHSBMVJL-LXZKKBNFSA-N 2 0 272.392 2.797 20 30 CFEDRP C=C(C)[C@H]([NH2+][C@@H](CCC[NH3+])COC)c1ccc(F)c(F)c1 ZINC000423044807 330166884 /nfs/dbraw/zinc/16/68/84/330166884.db2.gz BCVOKNOZJYTVCO-BBRMVZONSA-N 2 0 298.377 2.926 20 30 CFEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423094305 330169466 /nfs/dbraw/zinc/16/94/66/330169466.db2.gz JUMXMBZOAHTLOB-RANZSIQMSA-N 2 0 288.435 2.516 20 30 CFEDRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1CCC(C#N)CC1 ZINC000423102725 330170267 /nfs/dbraw/zinc/17/02/67/330170267.db2.gz ORNLXLMOBQATKT-KUQKPQIMSA-N 2 0 285.435 2.864 20 30 CFEDRP CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423124468 330171351 /nfs/dbraw/zinc/17/13/51/330171351.db2.gz MLSQBGPDEBYETH-SOUVJXGZSA-N 2 0 263.429 2.827 20 30 CFEDRP N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC000423213237 330178482 /nfs/dbraw/zinc/17/84/82/330178482.db2.gz NBTDQQCJMWYJHC-IPJUCJBFSA-N 2 0 297.446 2.980 20 30 CFEDRP CC#CCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000309741916 333048453 /nfs/dbraw/zinc/04/84/53/333048453.db2.gz WEDXAFRDLVDTDS-GUDVDZBRSA-N 2 0 282.431 2.900 20 30 CFEDRP CC1(C)CC([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC(C)(C)[NH2+]1 ZINC000192613462 333236838 /nfs/dbraw/zinc/23/68/38/333236838.db2.gz WFEFFEOHUSXPLI-CHWSQXEVSA-N 2 0 263.429 2.968 20 30 CFEDRP C=CCCCCC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000193455017 333250494 /nfs/dbraw/zinc/25/04/94/333250494.db2.gz FBQFRWMLWKGQPL-UHFFFAOYSA-N 2 0 281.488 2.691 20 30 CFEDRP C=CCCCC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000576345471 335192449 /nfs/dbraw/zinc/19/24/49/335192449.db2.gz DJWLCRQAIGDCJJ-UHFFFAOYSA-N 2 0 293.499 2.692 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000049553572 519035772 /nfs/dbraw/zinc/03/57/72/519035772.db2.gz GOXLNNCUURMBLZ-CQSZACIVSA-N 2 0 262.397 2.681 20 30 CFEDRP N#C[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000192700016 534749055 /nfs/dbraw/zinc/74/90/55/534749055.db2.gz XAXHKRCRWGEROP-GOEBONIOSA-N 2 0 261.413 2.533 20 30 CFEDRP C#CCCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000113320944 526743381 /nfs/dbraw/zinc/74/33/81/526743381.db2.gz QWTBEZGREWBALO-KRWDZBQOSA-N 2 0 298.430 2.663 20 30 CFEDRP C=CCOc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000347051775 526867529 /nfs/dbraw/zinc/86/75/29/526867529.db2.gz RDUIMIXXTOWWCS-HOCLYGCPSA-N 2 0 274.408 2.811 20 30 CFEDRP C=CCOc1cccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000347078570 526897959 /nfs/dbraw/zinc/89/79/59/526897959.db2.gz WBLCGGAGQMJVQQ-CQSZACIVSA-N 2 0 274.408 2.811 20 30 CFEDRP C=CCOc1ccccc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000347129914 526931345 /nfs/dbraw/zinc/93/13/45/526931345.db2.gz QDBAULLPRZGSTE-LSDHHAIUSA-N 2 0 274.408 2.811 20 30 CFEDRP C=CCOc1ccccc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000347129907 526931462 /nfs/dbraw/zinc/93/14/62/526931462.db2.gz QDBAULLPRZGSTE-GJZGRUSLSA-N 2 0 274.408 2.811 20 30 CFEDRP CC[N@H+](Cc1ccc(C#N)c(OC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000414708549 528770191 /nfs/dbraw/zinc/77/01/91/528770191.db2.gz DADOOJLUQQYNLX-MRXNPFEDSA-N 2 0 287.407 2.531 20 30 CFEDRP C#CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC)C2)cc1 ZINC000733326247 574221800 /nfs/dbraw/zinc/22/18/00/574221800.db2.gz RJNMBNUERLGMQV-QGZVFWFLSA-N 2 0 286.419 2.520 20 30 CFEDRP C#CC[NH+](CC)Cc1ccccc1C[N@H+](CC)CC#C ZINC000749154915 574282382 /nfs/dbraw/zinc/28/23/82/574282382.db2.gz IPWDLHOFPQZRCO-UHFFFAOYSA-N 2 0 268.404 2.597 20 30 CFEDRP C=CC[C@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926351678 617955611 /nfs/dbraw/zinc/95/56/11/617955611.db2.gz RSSYSGVIUMXWHM-HNSVSWJLSA-N 2 0 266.429 2.573 20 30 CFEDRP C=C(CC[NH+](C)C)C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000901230390 620767987 /nfs/dbraw/zinc/76/79/87/620767987.db2.gz OWLYHFFJDBSGTE-UHFFFAOYSA-N 2 0 289.423 2.503 20 30 CFEDRP C=C(Cl)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182981814 618277195 /nfs/dbraw/zinc/27/71/95/618277195.db2.gz QVWFEQYSIOMVTR-UHFFFAOYSA-N 2 0 286.847 2.563 20 30 CFEDRP C#CCCCCCC[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000877530435 618413460 /nfs/dbraw/zinc/41/34/60/618413460.db2.gz DPBNHGNOVIONJF-IRXDYDNUSA-N 2 0 262.441 2.986 20 30 CFEDRP N#CCC1(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925658731 618417842 /nfs/dbraw/zinc/41/78/42/618417842.db2.gz ZHWSZISSHRMIAF-HNNXBMFYSA-N 2 0 257.381 2.750 20 30 CFEDRP CC(C)(CCC#N)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925671395 618442339 /nfs/dbraw/zinc/44/23/39/618442339.db2.gz DBTHTSIBIDYNON-STQMWFEESA-N 2 0 251.418 2.812 20 30 CFEDRP C=C(C)C[NH+]1CCC(NCC#Cc2ccccc2)CC1 ZINC000892881447 618762539 /nfs/dbraw/zinc/76/25/39/618762539.db2.gz WMWBKDXUBUJEKH-UHFFFAOYSA-N 2 0 268.404 2.668 20 30 CFEDRP CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C[C@@H]([NH3+])C1 ZINC000925694556 618941415 /nfs/dbraw/zinc/94/14/15/618941415.db2.gz UORFGZRUZVAYGY-KGLIPLIRSA-N 2 0 275.371 2.693 20 30 CFEDRP CCC1([NH3+])CC[NH+]([C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000925761005 619071623 /nfs/dbraw/zinc/07/16/23/619071623.db2.gz WSAXDRUPGVKOOD-CQSZACIVSA-N 2 0 287.407 2.853 20 30 CFEDRP C=CCC[C@H](CCC)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925783417 619107627 /nfs/dbraw/zinc/10/76/27/619107627.db2.gz NXPYNKLDIUINCZ-OLZOCXBDSA-N 2 0 260.372 2.956 20 30 CFEDRP C[NH+]1CCC([C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)CC1 ZINC000894478982 619397446 /nfs/dbraw/zinc/39/74/46/619397446.db2.gz HPOJHGYZKQHFKN-LJQANCHMSA-N 2 0 282.431 2.702 20 30 CFEDRP CC1(C)C[NH2+]CC[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)C1 ZINC000902368070 621043228 /nfs/dbraw/zinc/04/32/28/621043228.db2.gz FNPRFLFAITUNAR-INIZCTEOSA-N 2 0 283.419 2.915 20 30 CFEDRP C=CCCSCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902391230 621062818 /nfs/dbraw/zinc/06/28/18/621062818.db2.gz FWSJKDDYEPPABE-CYBMUJFWSA-N 2 0 256.459 2.664 20 30 CFEDRP CCCCCCCC[C@H](CO)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000902453972 621093169 /nfs/dbraw/zinc/09/31/69/621093169.db2.gz GOAGPKVFZVLQMN-OWCLPIDISA-N 2 0 270.461 2.957 20 30 CFEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902483782 621110521 /nfs/dbraw/zinc/11/05/21/621110521.db2.gz BOFZUCLTRRYKBB-QRTARXTBSA-N 2 0 269.392 2.653 20 30 CFEDRP N#CC1(c2ccccc2)CCC([NH2+][C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000902485601 621111494 /nfs/dbraw/zinc/11/14/94/621111494.db2.gz BHNMNBZOWCGCPM-RSWLEGOBSA-N 2 0 283.419 2.717 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000903458613 621379697 /nfs/dbraw/zinc/37/96/97/621379697.db2.gz FOHBNNDXWMKXBS-LRDDRELGSA-N 2 0 271.408 2.592 20 30 CFEDRP N#CC1CCC(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000903481656 621391799 /nfs/dbraw/zinc/39/17/99/621391799.db2.gz IULQTQXQCOTYRP-NRXISQOPSA-N 2 0 261.413 2.581 20 30 CFEDRP N#CC1(CCCC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCC1 ZINC000903744952 621435569 /nfs/dbraw/zinc/43/55/69/621435569.db2.gz ZXJVWGMJTLCEBB-HRCADAONSA-N 2 0 275.440 2.910 20 30 CFEDRP N#CC1(CCCCN2C[C@@H]3CCC[C@]3([NH3+])C2)CCC1 ZINC000903770278 621437741 /nfs/dbraw/zinc/43/77/41/621437741.db2.gz WHXUXVUJDGQNLW-HOCLYGCPSA-N 2 0 261.413 2.664 20 30 CFEDRP C[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)CC[C@@H]1C[NH3+] ZINC000903788968 621442474 /nfs/dbraw/zinc/44/24/74/621442474.db2.gz SFFSZMMNJJZIAZ-HUUCEWRRSA-N 2 0 263.429 2.767 20 30 CFEDRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000903949402 621486367 /nfs/dbraw/zinc/48/63/67/621486367.db2.gz AMKSRCSISABNRZ-WWGRRREGSA-N 2 0 257.381 2.739 20 30 CFEDRP C=CCOc1ccccc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904410912 621591836 /nfs/dbraw/zinc/59/18/36/621591836.db2.gz HLKQIZXOISPDOZ-HUUCEWRRSA-N 2 0 274.408 2.668 20 30 CFEDRP C[NH+](C)C[C@H]1CC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000929637308 623498194 /nfs/dbraw/zinc/49/81/94/623498194.db2.gz HJIRDLZSEZLPGZ-OAHLLOKOSA-N 2 0 263.429 2.734 20 30 CFEDRP CC(C)O[NH+]=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000835004758 625952572 /nfs/dbraw/zinc/95/25/72/625952572.db2.gz ZFGJDTOUCNUDDB-UHFFFAOYSA-N 2 0 289.423 2.976 20 30 CFEDRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)cc(C#N)cc2C)C1 ZINC000921546367 625982084 /nfs/dbraw/zinc/98/20/84/625982084.db2.gz ICZVKSKMTOOXCB-OAHLLOKOSA-N 2 0 271.408 2.607 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000921780305 626119950 /nfs/dbraw/zinc/11/99/50/626119950.db2.gz PFZHWLPFDJHEFL-ZBFHGGJFSA-N 2 0 271.408 2.747 20 30 CFEDRP C#CCCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000766894906 627225361 /nfs/dbraw/zinc/22/53/61/627225361.db2.gz GSOZQQMCAXXAEZ-UHFFFAOYSA-N 2 0 262.441 2.988 20 30 CFEDRP C=CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000772856803 627751697 /nfs/dbraw/zinc/75/16/97/627751697.db2.gz RMZWHKBPGDEXEJ-QZTJIDSGSA-N 2 0 288.435 2.740 20 30 CFEDRP C=CC[NH+](CC1(C[N@@H+](CC=C)C(C)C)COC1)C(C)C ZINC000782456238 628639366 /nfs/dbraw/zinc/63/93/66/628639366.db2.gz WZLUYWLMXHRMSH-UHFFFAOYSA-N 2 0 280.456 2.796 20 30 CFEDRP C#CCOc1ccccc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000835063211 629366800 /nfs/dbraw/zinc/36/68/00/629366800.db2.gz VYPUCBWYWLHTGS-UHFFFAOYSA-N 2 0 286.419 2.663 20 30 CFEDRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1C#N ZINC000796836677 629976296 /nfs/dbraw/zinc/97/62/96/629976296.db2.gz KKHCFTYJEUVPDQ-BRWVUGGUSA-N 2 0 299.418 2.529 20 30 CFEDRP C[C@H]([NH2+]CCCCCC[NH3+])c1ccc(C#N)cc1F ZINC000843341625 631932454 /nfs/dbraw/zinc/93/24/54/631932454.db2.gz KNSHVBFOXOSPQK-LBPRGKRZSA-N 2 0 263.360 2.867 20 30 CFEDRP C[C@H]([NH2+]CCCCCC[NH3+])c1ccc(C#N)c(F)c1 ZINC000843341580 631932543 /nfs/dbraw/zinc/93/25/43/631932543.db2.gz JNLPZLXUPOAHHG-LBPRGKRZSA-N 2 0 263.360 2.867 20 30 CFEDRP CCCCCCC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000843389470 631943879 /nfs/dbraw/zinc/94/38/79/631943879.db2.gz XGAGEIPLDZOBAK-CVEARBPZSA-N 2 0 268.445 2.785 20 30 CFEDRP C=CCCCCCCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000817931484 632739705 /nfs/dbraw/zinc/73/97/05/632739705.db2.gz KOTQSXORWYYDIF-ARFHVFGLSA-N 2 0 268.445 2.855 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(OCC#N)cc1 ZINC000817969350 632768233 /nfs/dbraw/zinc/76/82/33/632768233.db2.gz CASGEMCUTMUPOB-AEGPPILISA-N 2 0 273.380 2.509 20 30 CFEDRP C#C[C@H]1CCC[N@H+](CCCCC[NH+]2CCC[C@@H](C#C)C2)C1 ZINC000847020381 632884888 /nfs/dbraw/zinc/88/48/88/632884888.db2.gz BEOBOPGWXKXIID-KDURUIRLSA-N 2 0 286.463 2.847 20 30 CFEDRP CC[N@H+](CCC[NH+]=C(N(C)C)N(C)C)C1CCCCC1 ZINC000849047484 633479410 /nfs/dbraw/zinc/47/94/10/633479410.db2.gz YKPQWQFTKHORQO-UHFFFAOYSA-N 2 0 282.476 2.510 20 30 CFEDRP C#CC[C@H](COC)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000862548896 637421587 /nfs/dbraw/zinc/42/15/87/637421587.db2.gz PXTWSIGQMYWWKV-CGTJXYLNSA-N 2 0 292.467 2.657 20 30 CFEDRP Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)c1cccc(C#N)c1[O-] ZINC000866259009 638782058 /nfs/dbraw/zinc/78/20/58/638782058.db2.gz FGYBJLNVFYPVSI-OLZOCXBDSA-N 2 0 298.390 2.756 20 30 CFEDRP C=C(C)C[NH+]1CCC(Nc2cc[nH+]cc2C2CC2)CC1 ZINC000872446316 641814275 /nfs/dbraw/zinc/81/42/75/641814275.db2.gz DGFKURZIWDWGBP-UHFFFAOYSA-N 2 0 271.408 2.833 20 30 CFEDRP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000873276107 642114975 /nfs/dbraw/zinc/11/49/75/642114975.db2.gz QVIMIUTVJBKBDC-AKHDSKFASA-N 2 0 295.430 2.536 20 30 CFEDRP C#CCCCCCC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000876689992 642974596 /nfs/dbraw/zinc/97/45/96/642974596.db2.gz DFYDZFOGAPAZPZ-UHFFFAOYSA-N 2 0 250.430 2.844 20 30 CFEDRP C#CCCCCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000876812307 643019496 /nfs/dbraw/zinc/01/94/96/643019496.db2.gz KRHWOISPLJYQAX-SJORKVTESA-N 2 0 262.441 2.986 20 30 CFEDRP C#CCCCCCC[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC000876989250 643095364 /nfs/dbraw/zinc/09/53/64/643095364.db2.gz WMVNNMVRFBTHTC-INIZCTEOSA-N 2 0 250.430 2.892 20 30 CFEDRP C#C[C@H]1CC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000877833656 643599508 /nfs/dbraw/zinc/59/95/08/643599508.db2.gz KMJNOVZPESBHRS-WKILWMFISA-N 2 0 283.419 2.832 20 30 CFEDRP C[NH+]1CCC2(CC1)CC[NH+](CCc1ccc(C#N)cc1)CC2 ZINC000879250454 644194968 /nfs/dbraw/zinc/19/49/68/644194968.db2.gz FCLJNGGAHBGGIH-UHFFFAOYSA-N 2 0 297.446 2.909 20 30 CFEDRP CC(C)(C)NC(=[NH2+])NCC1([NH+]2CCCCC2)CCCCC1 ZINC000303713207 650999374 /nfs/dbraw/zinc/99/93/74/650999374.db2.gz QLRGVJYMJMGVSN-UHFFFAOYSA-N 2 0 294.487 2.878 20 30 CFEDRP CCc1cccc(NC(=[NH2+])NC[C@@H](CC(C)C)[NH+](C)C)c1 ZINC000303784804 651002180 /nfs/dbraw/zinc/00/21/80/651002180.db2.gz PSGJKNPKNOUCMY-MRXNPFEDSA-N 2 0 290.455 2.952 20 30 CFEDRP CC(C)c1cccc(NC(=[NH2+])NCC2CC[NH+](C)CC2)c1 ZINC000303902902 651008263 /nfs/dbraw/zinc/00/82/63/651008263.db2.gz YBBSSPLVCULXST-UHFFFAOYSA-N 2 0 288.439 2.878 20 30 CFEDRP CCc1cccc(NC(=[NH2+])NCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000303879561 651005847 /nfs/dbraw/zinc/00/58/47/651005847.db2.gz GQMRYEXDYRDKQR-CQSZACIVSA-N 2 0 288.439 2.708 20 30 CFEDRP C[C@@H]1CCCN(C(=[NH2+])NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000303891228 651006505 /nfs/dbraw/zinc/00/65/05/651006505.db2.gz QLTDWLZAANIARV-INMHGKMJSA-N 2 0 294.487 2.544 20 30 CFEDRP CC[N@H+](CCNC(=[NH2+])N[C@H](C)CCCC(C)C)C1CC1 ZINC000303987974 651011547 /nfs/dbraw/zinc/01/15/47/651011547.db2.gz WARSIFDWOSFXJF-CQSZACIVSA-N 2 0 282.476 2.590 20 30 CFEDRP CC(C)(C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000304743779 651031124 /nfs/dbraw/zinc/03/11/24/651031124.db2.gz DHAALZXNHNDOLV-HNNXBMFYSA-N 2 0 294.487 2.734 20 30 CFEDRP C=CCC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CCCO1 ZINC000883174454 645640821 /nfs/dbraw/zinc/64/08/21/645640821.db2.gz KXKDSMAHMKCNCM-ROUUACIJSA-N 2 0 292.467 2.964 20 30 CFEDRP C=CCC[C@H]([NH2+]CC1CC[NH+](CC)CC1)[C@H]1CCCO1 ZINC000883186195 645648072 /nfs/dbraw/zinc/64/80/72/645648072.db2.gz NJHIGDKCVCGVBQ-DLBZAZTESA-N 2 0 280.456 2.822 20 30 CFEDRP CC(C)CCNC(=[NH2+])NCCCCC[NH+]1CCCCC1 ZINC000304742616 651030816 /nfs/dbraw/zinc/03/08/16/651030816.db2.gz CSINGGPVYTVNDC-UHFFFAOYSA-N 2 0 282.476 2.593 20 30 CFEDRP CC(C)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000304739188 651031031 /nfs/dbraw/zinc/03/10/31/651031031.db2.gz BCTNKXLSPQPUFW-INIZCTEOSA-N 2 0 294.487 2.591 20 30 CFEDRP C=CCC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCO1 ZINC000883228059 645678493 /nfs/dbraw/zinc/67/84/93/645678493.db2.gz DWQJNCMAQPNEKU-IXDOHACOSA-N 2 0 280.456 2.822 20 30 CFEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000304762018 651033808 /nfs/dbraw/zinc/03/38/08/651033808.db2.gz VCYULLOMGDTZLP-INIZCTEOSA-N 2 0 288.439 2.904 20 30 CFEDRP CC(C)CC[NH+]1CCC(CNC(=[NH2+])N2CCCCC2)CC1 ZINC000304776307 651034359 /nfs/dbraw/zinc/03/43/59/651034359.db2.gz HQCKKYOQXNYSIL-UHFFFAOYSA-N 2 0 294.487 2.545 20 30 CFEDRP C=C(C)C[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000883389887 645788490 /nfs/dbraw/zinc/78/84/90/645788490.db2.gz BBEZUWFBRKNKKY-CGTJXYLNSA-N 2 0 294.483 2.946 20 30 CFEDRP C[C@@H]1CCCN(C(=[NH2+])NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000104169786 647553422 /nfs/dbraw/zinc/55/34/22/647553422.db2.gz IRWKDGOFYUBFIH-CVEARBPZSA-N 2 0 294.487 2.688 20 30 CFEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000104191516 647556220 /nfs/dbraw/zinc/55/62/20/647556220.db2.gz KOEVAXKYNJNSSV-ZDUSSCGKSA-N 2 0 288.439 2.632 20 30 CFEDRP C=CC[NH+](CC=C)[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)C(C)C ZINC000925537129 648205532 /nfs/dbraw/zinc/20/55/32/648205532.db2.gz JFKBHNALJRAJNX-ZACQAIPSSA-N 2 0 291.483 2.545 20 30 CFEDRP CC1(C)C[C@@H]([NH2+][C@H]2Cc3ccc(C#N)cc3C2)C[C@@H]([NH3+])C1 ZINC000925728630 648299795 /nfs/dbraw/zinc/29/97/95/648299795.db2.gz MFILGFGISNGTCN-IKGGRYGDSA-N 2 0 283.419 2.521 20 30 CFEDRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000925728631 648300222 /nfs/dbraw/zinc/30/02/22/648300222.db2.gz MFILGFGISNGTCN-IXDOHACOSA-N 2 0 283.419 2.521 20 30 CFEDRP C#C[C@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)[C@@H]1CCCO1 ZINC000926211454 648435979 /nfs/dbraw/zinc/43/59/79/648435979.db2.gz UKRZCTLBKMOYPP-JLSDUUJJSA-N 2 0 286.419 2.580 20 30 CFEDRP CC(C)CC[NH+]1CCC([NH2+]CC2(CC#N)CC2)CC1 ZINC000926346252 648468261 /nfs/dbraw/zinc/46/82/61/648468261.db2.gz UFGLNYSNIAZIFC-UHFFFAOYSA-N 2 0 263.429 2.780 20 30 CFEDRP Cc1cc(C#N)cc(C)c1CN1CCC([NH+](C)C)CC1 ZINC000929259344 649017259 /nfs/dbraw/zinc/01/72/59/649017259.db2.gz CMVIGOSVVOMICP-UHFFFAOYSA-N 2 0 271.408 2.701 20 30 CFEDRP C#CC[N@H+](Cc1ccc(-n2ccnc2)cc1)C(C)C ZINC000932396695 649593006 /nfs/dbraw/zinc/59/30/06/649593006.db2.gz TYQKJPJOXQTTGL-UHFFFAOYSA-N 2 0 253.349 2.716 20 30 CFEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCCC(C)C)CC1 ZINC001208737509 769933326 /nfs/dbraw/zinc/93/33/26/769933326.db2.gz NGBGJVCBZYUSSW-UHFFFAOYSA-N 2 0 293.499 2.714 20 30 CFEDRP C#CC1CC[NH+]([C@H](C)CCC[NH+](CC)CC)CC1 ZINC001167839944 776594592 /nfs/dbraw/zinc/59/45/92/776594592.db2.gz CUOGFYUSNCMCMM-OAHLLOKOSA-N 2 0 250.430 2.842 20 30 CFEDRP N#Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)o1 ZINC001167973111 777439910 /nfs/dbraw/zinc/43/99/10/777439910.db2.gz GWJPXFNEBFRVFK-GOOCMWNKSA-N 2 0 285.391 2.646 20 30 CFEDRP C#CC1CC[NH+](Cc2cc(F)cc(C[NH+](C)C)c2)CC1 ZINC001232150212 777453287 /nfs/dbraw/zinc/45/32/87/777453287.db2.gz UOCWNADRFORDRU-UHFFFAOYSA-N 2 0 274.383 2.733 20 30 CFEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(NCC[NH+](C)C)cc1 ZINC001161673126 777501696 /nfs/dbraw/zinc/50/16/96/777501696.db2.gz ZAJSCCYZZCUAMW-KRWDZBQOSA-N 2 0 273.424 2.983 20 30 CFEDRP C[NH+]1CCC(C2CC[NH+](Cc3cccc(C#N)n3)CC2)CC1 ZINC001232924474 777722262 /nfs/dbraw/zinc/72/22/62/777722262.db2.gz DSYZQOQCRRGMQG-UHFFFAOYSA-N 2 0 298.434 2.507 20 30 CFEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC001235036582 778361857 /nfs/dbraw/zinc/36/18/57/778361857.db2.gz LSVFFZNSCNHUKD-KZNAEPCWSA-N 2 0 290.451 2.599 20 30 CFEDRP Cn1cc(C[NH2+][C@@]23CC[C@@]([NH2+]C4CC4)(C2)CCC3)cc1C#N ZINC001277923831 778385561 /nfs/dbraw/zinc/38/55/61/778385561.db2.gz NDSXPEUOUHXGNK-ZWKOTPCHSA-N 2 0 298.434 2.584 20 30 CFEDRP N#CCCN1CCC2(CCC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001277938562 778462851 /nfs/dbraw/zinc/46/28/51/778462851.db2.gz ALSWCZDFWXZRMZ-UHFFFAOYSA-N 2 0 286.423 2.606 20 30 CFEDRP C#Cc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235422471 778486109 /nfs/dbraw/zinc/48/61/09/778486109.db2.gz DBTHBIUENOZRGV-OALUTQOASA-N 2 0 282.431 2.880 20 30 CFEDRP CCCCCCC[N@H+](CC)CC[C@H]1C[NH2+]CCO1 ZINC001235663673 778530678 /nfs/dbraw/zinc/53/06/78/778530678.db2.gz XCEXQKJAIDQBHQ-HNNXBMFYSA-N 2 0 256.434 2.657 20 30 CFEDRP Cc1ccc(C(=[NH2+])NC2CC[NH+](CC3CC3)CC2)cc1C ZINC001168368674 778628692 /nfs/dbraw/zinc/62/86/92/778628692.db2.gz OSHKQKANYYGAOS-UHFFFAOYSA-N 2 0 285.435 2.883 20 30 CFEDRP C=CCCCCCCC[N@H+]1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001236073755 778681250 /nfs/dbraw/zinc/68/12/50/778681250.db2.gz QTSVYYKTIVLADA-KRWDZBQOSA-N 2 0 279.472 2.620 20 30 CFEDRP C=C(C)COc1ccccc1CN1CCC[NH2+][C@@H](C)C1 ZINC001236095815 778691136 /nfs/dbraw/zinc/69/11/36/778691136.db2.gz ZKGAPTGVDHEOPS-HNNXBMFYSA-N 2 0 274.408 2.825 20 30 CFEDRP N#Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccc1Cl ZINC001236320587 778777287 /nfs/dbraw/zinc/77/72/87/778777287.db2.gz JJEUUBXEVCYGHD-OKILXGFUSA-N 2 0 289.810 2.643 20 30 CFEDRP C#CCOc1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001236598643 778890024 /nfs/dbraw/zinc/89/00/24/778890024.db2.gz MLUTYHUVGCBKLW-QGZVFWFLSA-N 2 0 298.430 2.663 20 30 CFEDRP C=CCCCCCCN(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001236923917 778981918 /nfs/dbraw/zinc/98/19/18/778981918.db2.gz MXPPRDGZSUBIDR-QGZVFWFLSA-N 2 0 281.488 2.739 20 30 CFEDRP C#CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000175008949 779537225 /nfs/dbraw/zinc/53/72/25/779537225.db2.gz FUMPILHIXMXGIY-DLBZAZTESA-N 2 0 286.419 2.661 20 30 CFEDRP N#Cc1cc(-c2cccc3c2CC[NH2+]C3)cc(C2C[NH2+]C2)c1 ZINC001240351511 780102986 /nfs/dbraw/zinc/10/29/86/780102986.db2.gz SCLFTDIIRQEATH-UHFFFAOYSA-N 2 0 289.382 2.558 20 30 CFEDRP C=CC1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000706684762 781196768 /nfs/dbraw/zinc/19/67/68/781196768.db2.gz NCUKIJAOHVDCLL-UHFFFAOYSA-N 2 0 262.422 2.792 20 30 CFEDRP N#CCC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000594583044 349451817 /nfs/dbraw/zinc/45/18/17/349451817.db2.gz RWEJVBSFAAILLE-OAGGEKHMSA-N 2 0 257.381 2.891 20 30 CFEDRP CC(C)(C)N1CC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000594956514 349527914 /nfs/dbraw/zinc/52/79/14/349527914.db2.gz KVKOCMHMPSDTGC-CYBMUJFWSA-N 2 0 251.418 2.779 20 30 CFEDRP N#C[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000595102425 349582265 /nfs/dbraw/zinc/58/22/65/349582265.db2.gz HVLBXDNBEXHPSM-IRXDYDNUSA-N 2 0 275.440 2.780 20 30 CFEDRP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595330024 349603152 /nfs/dbraw/zinc/60/31/52/349603152.db2.gz GXJAWRWHLGCGAZ-GOSISDBHSA-N 2 0 285.435 2.764 20 30 CFEDRP C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(C#N)c(F)c1)C2 ZINC000595505029 349644231 /nfs/dbraw/zinc/64/42/31/349644231.db2.gz PNXLQPSSOOZKDP-KRWDZBQOSA-N 2 0 287.382 2.615 20 30 CFEDRP N#Cc1ccc(CN[C@@H]2CCCC[C@H]2[NH3+])c(C(F)(F)F)c1 ZINC000595892755 349762855 /nfs/dbraw/zinc/76/28/55/349762855.db2.gz MDYKYBFLLVTJIG-ZIAGYGMSSA-N 2 0 297.324 2.937 20 30 CFEDRP C[C@](C[NH3+])(NCc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000595893731 349763559 /nfs/dbraw/zinc/76/35/59/349763559.db2.gz YXODNJAITRSXJY-CQSZACIVSA-N 2 0 297.324 2.794 20 30 CFEDRP C[C@@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000595892432 349763607 /nfs/dbraw/zinc/76/36/07/349763607.db2.gz QXSGDACPIUEAMU-QMTHXVAHSA-N 2 0 297.324 2.746 20 30 CFEDRP N#Cc1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000596060035 349784258 /nfs/dbraw/zinc/78/42/58/349784258.db2.gz YDBWQRYLGBAUMP-GOSISDBHSA-N 2 0 283.419 2.770 20 30 CFEDRP C=CCCCC[C@@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000449130083 260236433 /nfs/dbraw/zinc/23/64/33/260236433.db2.gz FTZZMXUGRZIMIY-IAGOWNOFSA-N 2 0 281.488 2.594 20 30 CFEDRP CC(C)(CCC#N)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000093538188 347678559 /nfs/dbraw/zinc/67/85/59/347678559.db2.gz KPHRVMQUNUXHOH-BZUAXINKSA-N 2 0 275.440 2.732 20 30 CFEDRP C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)[C@H]1CC[NH3+] ZINC000404381762 348591568 /nfs/dbraw/zinc/59/15/68/348591568.db2.gz MRBYJACNOAXUPK-CJNGLKHVSA-N 2 0 257.381 2.508 20 30 CFEDRP C[C@@H]([NH2+]CC(C)(C)CCC#N)C1CC[NH+](C)CC1 ZINC000396473831 348558539 /nfs/dbraw/zinc/55/85/39/348558539.db2.gz ZUHAPXBXSZFMFX-CYBMUJFWSA-N 2 0 251.418 2.636 20 30 CFEDRP C[C@@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)C[NH+](C)C ZINC000589949310 348864955 /nfs/dbraw/zinc/86/49/55/348864955.db2.gz IXALLWXBEHUUPH-GUYCJALGSA-N 2 0 271.408 2.723 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000591577294 349030624 /nfs/dbraw/zinc/03/06/24/349030624.db2.gz MOOFCBDGFNTQBS-SUMWQHHRSA-N 2 0 269.392 2.525 20 30 CFEDRP CC[NH2+]CCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591577166 349030976 /nfs/dbraw/zinc/03/09/76/349030976.db2.gz TYBLJPNVTLYEEZ-MRXNPFEDSA-N 2 0 257.381 2.525 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000591582273 349032445 /nfs/dbraw/zinc/03/24/45/349032445.db2.gz CVLNWWRCMCTKSD-QGZVFWFLSA-N 2 0 269.392 2.667 20 30 CFEDRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000593318972 349246907 /nfs/dbraw/zinc/24/69/07/349246907.db2.gz SUUAGBHPCALLQR-UHFFFAOYSA-N 2 0 295.386 2.576 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CCC1CC[NH2+]CC1)CC2 ZINC000593323050 349247251 /nfs/dbraw/zinc/24/72/51/349247251.db2.gz OPKGLWUGKPNMBX-QGZVFWFLSA-N 2 0 269.392 2.525 20 30 CFEDRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000593646944 349303658 /nfs/dbraw/zinc/30/36/58/349303658.db2.gz UKGIKRGDQPVKPK-GJZGRUSLSA-N 2 0 251.418 2.636 20 30 CFEDRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594500412 349432351 /nfs/dbraw/zinc/43/23/51/349432351.db2.gz LZEDEQGJQWKGTH-UHFFFAOYSA-N 2 0 283.419 2.839 20 30 CFEDRP C[C@H]1CC2(C[N@@H+]1Cc1ccccc1C#N)CC[NH2+]CC2 ZINC000598683278 350310137 /nfs/dbraw/zinc/31/01/37/350310137.db2.gz RBUIFQLFVCFEEM-AWEZNQCLSA-N 2 0 269.392 2.522 20 30 CFEDRP Cc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1C#N ZINC000600708659 350598949 /nfs/dbraw/zinc/59/89/49/350598949.db2.gz DXFUHCJIWBNGGP-INIZCTEOSA-N 2 0 257.381 2.570 20 30 CFEDRP CC(C)[NH+]1CCC([NH2+][C@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602502692 350907278 /nfs/dbraw/zinc/90/72/78/350907278.db2.gz MVHSTZDGAJONDX-OAHLLOKOSA-N 2 0 293.455 2.548 20 30 CFEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602544625 350919200 /nfs/dbraw/zinc/91/92/00/350919200.db2.gz NELXIPVBPXKPKM-HWOWSKLDSA-N 2 0 263.429 2.779 20 30 CFEDRP C[C@@H](CCC#N)C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000602547554 350920098 /nfs/dbraw/zinc/92/00/98/350920098.db2.gz UPTYPEXNSFFSAN-UONOGXRCSA-N 2 0 253.434 2.882 20 30 CFEDRP C[C@H](CCC#N)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000602439371 350882417 /nfs/dbraw/zinc/88/24/17/350882417.db2.gz ZRHPELHNTMVELA-OAHLLOKOSA-N 2 0 263.429 2.877 20 30 CFEDRP C[C@@H](CCC#N)C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000602592676 350938664 /nfs/dbraw/zinc/93/86/64/350938664.db2.gz JVYUPZBOUWGGHA-AWEZNQCLSA-N 2 0 259.397 2.778 20 30 CFEDRP C[C@H](CCC#N)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000602737300 351008242 /nfs/dbraw/zinc/00/82/42/351008242.db2.gz URPGOXAJUVWKAN-OAHLLOKOSA-N 2 0 263.429 2.877 20 30 CFEDRP CCC1([NH+](C)C)CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000602738486 351009308 /nfs/dbraw/zinc/00/93/08/351009308.db2.gz KTSPAXLMJHUTEZ-AWEZNQCLSA-N 2 0 251.418 2.732 20 30 CFEDRP C#CCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291487356 198035054 /nfs/dbraw/zinc/03/50/54/198035054.db2.gz SDEPVWKWLPGTQH-UHFFFAOYSA-N 2 0 282.431 2.998 20 30 CFEDRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391173 351680202 /nfs/dbraw/zinc/68/02/02/351680202.db2.gz YOBVIBWIYGUGNM-MAUKXSAKSA-N 2 0 283.419 2.867 20 30 CFEDRP C[NH+](C)CCCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392570 351680629 /nfs/dbraw/zinc/68/06/29/351680629.db2.gz WKPHYPBAVNZWHA-QGZVFWFLSA-N 2 0 271.408 2.867 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152411895 188016770 /nfs/dbraw/zinc/01/67/70/188016770.db2.gz OXNWMZNLHAQVBX-HZPDHXFCSA-N 2 0 298.430 2.834 20 30 CFEDRP CC[NH+]1CCC(CC[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000174551712 188905323 /nfs/dbraw/zinc/90/53/23/188905323.db2.gz NRSPGAUGNMAVBQ-UHFFFAOYSA-N 2 0 271.408 2.770 20 30 CFEDRP CCc1cccc(NC(=[NH2+])NCCCn2ccnc2C)c1 ZINC000264073817 383694001 /nfs/dbraw/zinc/69/40/01/383694001.db2.gz FBPFKPJXPLCFQP-UHFFFAOYSA-N 2 0 285.395 2.571 20 30 CFEDRP Cc1cc(C)cc(NC(=[NH2+])NCC(C)(C)C[NH+](C)C)c1 ZINC000264112056 383696764 /nfs/dbraw/zinc/69/67/64/383696764.db2.gz PAPONKZIFWOGIH-UHFFFAOYSA-N 2 0 276.428 2.618 20 30 CFEDRP CCCCNC(=[NH2+])NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000104155672 375770700 /nfs/dbraw/zinc/77/07/00/375770700.db2.gz HNGICBMEZDENQL-CYBMUJFWSA-N 2 0 294.468 2.589 20 30 CFEDRP Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000123831406 376986162 /nfs/dbraw/zinc/98/61/62/376986162.db2.gz WLKCMVXNUPWPMD-KRWDZBQOSA-N 2 0 294.402 2.746 20 30 CFEDRP C=CCOCC[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000679578825 542211415 /nfs/dbraw/zinc/21/14/15/542211415.db2.gz ZPPCQQXHBZQVAY-RDJZCZTQSA-N 2 0 280.456 2.822 20 30 CFEDRP C#CCCCC[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000150729607 378268653 /nfs/dbraw/zinc/26/86/53/378268653.db2.gz XRGGSLAAHXHCRA-UHFFFAOYSA-N 2 0 253.349 2.765 20 30 CFEDRP CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(C#N)cc1 ZINC000278698972 194109468 /nfs/dbraw/zinc/10/94/68/194109468.db2.gz KUSLIHWIGYWUSC-QGZVFWFLSA-N 2 0 269.392 2.861 20 30 CFEDRP Cc1cc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)ccc1C#N ZINC000335674226 379700723 /nfs/dbraw/zinc/70/07/23/379700723.db2.gz XHIIGHPTOWMGOA-PBHICJAKSA-N 2 0 271.408 2.639 20 30 CFEDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(C#N)o1 ZINC000174272588 379855873 /nfs/dbraw/zinc/85/58/73/379855873.db2.gz SLXTUSRCXNHBFK-AWEZNQCLSA-N 2 0 275.396 2.895 20 30 CFEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174272712 379856033 /nfs/dbraw/zinc/85/60/33/379856033.db2.gz YKLKVHXZZKJABN-CQSZACIVSA-N 2 0 275.396 2.753 20 30 CFEDRP N#Cc1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000180274464 380641538 /nfs/dbraw/zinc/64/15/38/380641538.db2.gz ULWYFTNCAKPDTN-UHFFFAOYSA-N 2 0 296.374 2.552 20 30 CFEDRP C#Cc1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000368014191 380882217 /nfs/dbraw/zinc/88/22/17/380882217.db2.gz DYHMSKMFEIMYHC-QRVBRYPASA-N 2 0 280.415 2.584 20 30 CFEDRP C#Cc1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000368014192 380883376 /nfs/dbraw/zinc/88/33/76/380883376.db2.gz DYHMSKMFEIMYHC-QYZOEREBSA-N 2 0 280.415 2.584 20 30 CFEDRP C=C(CC)C[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000358506977 380892966 /nfs/dbraw/zinc/89/29/66/380892966.db2.gz KDQQGZOTZNTWTB-UHFFFAOYSA-N 2 0 268.445 2.775 20 30 CFEDRP C#CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000296452732 381400956 /nfs/dbraw/zinc/40/09/56/381400956.db2.gz MUNDBOUFCVXJRA-RLFYNMQTSA-N 2 0 286.419 2.517 20 30 CFEDRP C=C(Cl)C[N@@H+](C)CCCc1nccn1CCC ZINC000298559562 381674496 /nfs/dbraw/zinc/67/44/96/381674496.db2.gz PFDNYSCBGVTOGJ-UHFFFAOYSA-N 2 0 255.793 2.910 20 30 CFEDRP C[C@H]([NH2+]CCCSCC#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185668224 381697470 /nfs/dbraw/zinc/69/74/70/381697470.db2.gz DXVLVPPIGGZSLT-GJZGRUSLSA-N 2 0 295.496 2.876 20 30 CFEDRP C=CCC[C@@H](O)C[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000374554047 382048897 /nfs/dbraw/zinc/04/88/97/382048897.db2.gz KUJRZKOJUFGOPB-GOSISDBHSA-N 2 0 294.483 2.757 20 30 CFEDRP C#Cc1ccc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1 ZINC000376034227 382117780 /nfs/dbraw/zinc/11/77/80/382117780.db2.gz XWJJEGOZORPIHW-SFHVURJKSA-N 2 0 293.414 2.856 20 30 CFEDRP N#Cc1ccc(C[N@H+](CCC[NH3+])CC2CCCC2)cc1 ZINC000352488609 382360604 /nfs/dbraw/zinc/36/06/04/382360604.db2.gz RYORFWNZMBJNMB-UHFFFAOYSA-N 2 0 271.408 2.899 20 30 CFEDRP N#Cc1ccc(F)c(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000365549507 382411300 /nfs/dbraw/zinc/41/13/00/382411300.db2.gz RPJBDRYXDYQVQV-NUJGCVRESA-N 2 0 299.393 2.613 20 30 CFEDRP N#CCCNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000309987322 382492668 /nfs/dbraw/zinc/49/26/68/382492668.db2.gz YGSXUTXKKKZPST-KRWDZBQOSA-N 2 0 271.408 2.792 20 30 CFEDRP C=CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000346848494 382543069 /nfs/dbraw/zinc/54/30/69/382543069.db2.gz DVAQAKAVTUKIOT-SZMVWBNQSA-N 2 0 286.419 2.811 20 30 CFEDRP C=C(CC)C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000346961983 382588324 /nfs/dbraw/zinc/58/83/24/382588324.db2.gz AIXCJUXAZWYTFB-DOTOQJQBSA-N 2 0 273.424 2.848 20 30 CFEDRP Cn1cc(C[NH2+]CCCCC[NH+]2CCCCC2)cc1C#N ZINC000191028222 382688891 /nfs/dbraw/zinc/68/88/91/382688891.db2.gz MSTRJBFZVGTYQH-UHFFFAOYSA-N 2 0 288.439 2.643 20 30 CFEDRP C[N@H+](CCC[NH+]1CCCC1)CCCC(C)(C)C#N ZINC000337267235 382789667 /nfs/dbraw/zinc/78/96/67/382789667.db2.gz IOONXJKDWDHMGZ-UHFFFAOYSA-N 2 0 251.418 2.734 20 30 CFEDRP C=CCCCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000575830941 382800913 /nfs/dbraw/zinc/80/09/13/382800913.db2.gz JGOYLPMRXYJBLA-UHFFFAOYSA-N 2 0 280.456 2.920 20 30 CFEDRP C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000578263648 382905091 /nfs/dbraw/zinc/90/50/91/382905091.db2.gz OQEMKDQYCKDVIP-CZUORRHYSA-N 2 0 280.375 2.842 20 30 CFEDRP C[N@H+](CCC[NH2+][C@@H]1CC[C@@H](C#N)C1)C1CCCCC1 ZINC000442650631 382940864 /nfs/dbraw/zinc/94/08/64/382940864.db2.gz OEQWQDVLTMRBMA-HUUCEWRRSA-N 2 0 263.429 2.923 20 30 CFEDRP C[NH+](C)CC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C(C)(C)C ZINC000442776847 382954600 /nfs/dbraw/zinc/95/46/00/382954600.db2.gz DVAVQSGXHJTUEE-MCIONIFRSA-N 2 0 251.418 2.635 20 30 CFEDRP C[C@H](CCCC[NH3+])[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000423024644 383017421 /nfs/dbraw/zinc/01/74/21/383017421.db2.gz JVPSPHWGFBMODB-CYBMUJFWSA-N 2 0 257.381 2.654 20 30 CFEDRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCCCC#N ZINC000246996218 383130452 /nfs/dbraw/zinc/13/04/52/383130452.db2.gz LDCFJZQDMBSESN-NVXWUHKLSA-N 2 0 286.423 2.575 20 30 CFEDRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000423448411 383099894 /nfs/dbraw/zinc/09/98/94/383099894.db2.gz VCZVYICFWRWZQT-XNJJOIOASA-N 2 0 287.382 2.736 20 30 CFEDRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCC#N)CC1 ZINC000449235245 383185276 /nfs/dbraw/zinc/18/52/76/383185276.db2.gz TZZQCFMXUOSOQW-INIZCTEOSA-N 2 0 285.435 2.975 20 30 CFEDRP C[N@@H+]1CCC[C@H]2CN(Cc3ccc(F)cc3C#N)CC[C@H]21 ZINC000248008096 383205862 /nfs/dbraw/zinc/20/58/62/383205862.db2.gz KZYBQKIOYMHPMT-WMLDXEAASA-N 2 0 287.382 2.613 20 30 CFEDRP CC(C)[N@H+](C)CC1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000555337327 383148232 /nfs/dbraw/zinc/14/82/32/383148232.db2.gz PWOSWAREERXEPN-CVEARBPZSA-N 2 0 263.429 2.731 20 30 CFEDRP N#CCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000520231315 383252798 /nfs/dbraw/zinc/25/27/98/383252798.db2.gz SNSKFJYSTMFZQM-RCCFBDPRSA-N 2 0 283.419 2.763 20 30 CFEDRP C=CCC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248576801 383264306 /nfs/dbraw/zinc/26/43/06/383264306.db2.gz NOONBXYZMKKQTC-UXLLHSPISA-N 2 0 280.456 2.556 20 30 CFEDRP C=CCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000339666329 383280686 /nfs/dbraw/zinc/28/06/86/383280686.db2.gz VJQHLSUDXTYQOB-XYPWUTKMSA-N 2 0 266.429 2.526 20 30 CFEDRP C=C(C)CC[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000449480186 383322491 /nfs/dbraw/zinc/32/24/91/383322491.db2.gz XQIZTBBGDOIJFN-UHFFFAOYSA-N 2 0 287.451 2.884 20 30 CFEDRP C=C(C)C[NH+]1CCC(Nc2cc[nH+]c(CC)c2)CC1 ZINC000450317063 383390138 /nfs/dbraw/zinc/39/01/38/383390138.db2.gz JCESZTMXFICCOT-UHFFFAOYSA-N 2 0 259.397 2.518 20 30 CFEDRP C=CCC[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449698407 383361867 /nfs/dbraw/zinc/36/18/67/383361867.db2.gz NJAMZLXIOFDJIQ-NXHRZFHOSA-N 2 0 294.483 2.946 20 30 CFEDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](C#N)CCC#N ZINC000568750625 383432752 /nfs/dbraw/zinc/43/27/52/383432752.db2.gz BFAPQILGEPGGQF-HOTGVXAUSA-N 2 0 276.428 2.674 20 30 CFEDRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1cccc(C#N)c1 ZINC000423095154 532995472 /nfs/dbraw/zinc/99/54/72/532995472.db2.gz DLIYUGUCXSJKKB-BEFAXECRSA-N 2 0 293.414 2.649 20 30 CFEDRP C=CCOc1cccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435437641 383775425 /nfs/dbraw/zinc/77/54/25/383775425.db2.gz LQDHIWRXTXOLSL-MRXNPFEDSA-N 2 0 274.408 2.825 20 30 CFEDRP C=CC[N@@H+](CCn1ccnc1C)Cc1ccccc1 ZINC000270665082 385181594 /nfs/dbraw/zinc/18/15/94/385181594.db2.gz PTFSLZRGUMTRFO-UHFFFAOYSA-N 2 0 255.365 2.880 20 30 CFEDRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000271978824 385417765 /nfs/dbraw/zinc/41/77/65/385417765.db2.gz YNNMQATZZOTOIN-CHWSQXEVSA-N 2 0 287.382 2.832 20 30 CFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639303373 385430799 /nfs/dbraw/zinc/43/07/99/385430799.db2.gz PSRJEJRVPUGYJZ-WBVHZDCISA-N 2 0 294.483 2.946 20 30 CFEDRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000423350293 533424743 /nfs/dbraw/zinc/42/47/43/533424743.db2.gz XGEIIILMICWSNW-WBMJQRKESA-N 2 0 275.371 2.738 20 30 CFEDRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000269448540 132173039 /nfs/dbraw/zinc/17/30/39/132173039.db2.gz VGXJWQYTQSJNTR-UHFFFAOYSA-N 2 0 289.398 2.909 20 30 CFEDRP C[C@@H]([NH2+]CCCCC#N)c1ccc(OCC[NH+](C)C)cc1 ZINC000178640590 393446430 /nfs/dbraw/zinc/44/64/30/393446430.db2.gz SRJREEPUKNSWHZ-OAHLLOKOSA-N 2 0 289.423 2.971 20 30 CFEDRP C=CCCCCC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000373904858 393475732 /nfs/dbraw/zinc/47/57/32/393475732.db2.gz JHHISNWDJZZATR-GOSISDBHSA-N 2 0 293.499 2.833 20 30 CFEDRP N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000334983408 393629656 /nfs/dbraw/zinc/62/96/56/393629656.db2.gz KAMCJXPHDAABDW-DLBZAZTESA-N 2 0 269.392 2.522 20 30 CFEDRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000414172598 393797044 /nfs/dbraw/zinc/79/70/44/393797044.db2.gz FNINKNWURLRLBT-GOEBONIOSA-N 2 0 271.408 2.941 20 30 CFEDRP C[C@H]([NH2+][C@H]1CCCN(C)[C@H]1C)c1ccc(C#N)cc1 ZINC000342748653 393870235 /nfs/dbraw/zinc/87/02/35/393870235.db2.gz XDUONZCKJLTKBD-XEZPLFJOSA-N 2 0 257.381 2.692 20 30 CFEDRP CC#CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000342868151 393872558 /nfs/dbraw/zinc/87/25/58/393872558.db2.gz JVTWQMSANIZQAN-UHFFFAOYSA-N 2 0 282.431 2.998 20 30 CFEDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000348208764 393949595 /nfs/dbraw/zinc/94/95/95/393949595.db2.gz ADLDZFDOAPKVHV-HZSPNIEDSA-N 2 0 251.418 2.635 20 30 CFEDRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(C#N)cc1 ZINC000422977225 394259844 /nfs/dbraw/zinc/25/98/44/394259844.db2.gz WKZVJNYPEVIVPR-YGONEPDPSA-N 2 0 257.381 2.726 20 30 CFEDRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000421376213 394208412 /nfs/dbraw/zinc/20/84/12/394208412.db2.gz DTQKBJHZMDOGQZ-ZDUSSCGKSA-N 2 0 275.371 2.519 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC000151118381 394261358 /nfs/dbraw/zinc/26/13/58/394261358.db2.gz MKQKOBCFVMUYDC-HOCLYGCPSA-N 2 0 286.419 2.966 20 30 CFEDRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000423540907 394294241 /nfs/dbraw/zinc/29/42/41/394294241.db2.gz RBSWGOIJQZOZDD-GFCCVEGCSA-N 2 0 273.355 2.658 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(C#N)c(F)c1 ZINC000423549542 394295587 /nfs/dbraw/zinc/29/55/87/394295587.db2.gz SLUVFPZQUQBTTD-AEAUEXCSSA-N 2 0 287.382 2.736 20 30 CFEDRP C[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1ccc(C#N)cc1F ZINC000547979800 394900633 /nfs/dbraw/zinc/90/06/33/394900633.db2.gz MDKWPMDRWVLOOI-AAEUAGOBSA-N 2 0 284.338 2.559 20 30 CFEDRP C=CCCCC[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000648416046 395135058 /nfs/dbraw/zinc/13/50/58/395135058.db2.gz ITBBUGQCIXCXMZ-MRXNPFEDSA-N 2 0 281.488 2.737 20 30 CFEDRP C=CCCCC[C@H](C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648450310 395149216 /nfs/dbraw/zinc/14/92/16/395149216.db2.gz AFUKVGWTSLIGSU-IRXDYDNUSA-N 2 0 293.499 2.879 20 30 CFEDRP C=CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1 ZINC000647498122 395362260 /nfs/dbraw/zinc/36/22/60/395362260.db2.gz ATVNINJDWYPDFX-WBVHZDCISA-N 2 0 274.408 2.811 20 30 CFEDRP C=CCOc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647789999 395429843 /nfs/dbraw/zinc/42/98/43/395429843.db2.gz PBLUMQBHYMIARO-HYVNUMGLSA-N 2 0 286.419 2.729 20 30 CFEDRP C=CCOc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647790000 395429890 /nfs/dbraw/zinc/42/98/90/395429890.db2.gz PBLUMQBHYMIARO-USXIJHARSA-N 2 0 286.419 2.729 20 30 CFEDRP C=CCOCCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000348027800 397657629 /nfs/dbraw/zinc/65/76/29/397657629.db2.gz GKTKGPJQWWBEHT-CVEARBPZSA-N 2 0 280.456 2.822 20 30 CFEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000657871668 414017097 /nfs/dbraw/zinc/01/70/97/414017097.db2.gz WJTDAHOJZHLNRR-KZNAEPCWSA-N 2 0 293.499 2.594 20 30 CFEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCN1CCCO ZINC000658026398 414111782 /nfs/dbraw/zinc/11/17/82/414111782.db2.gz UEXXOTSODBCKED-BRWVUGGUSA-N 2 0 280.456 2.558 20 30 CFEDRP C[C@H](NCC1(C#N)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347963407 226389649 /nfs/dbraw/zinc/38/96/49/226389649.db2.gz QODOTKSLRNURNL-KBPBESRZSA-N 2 0 261.413 2.533 20 30 CFEDRP CC[N@@H+]1CC[C@H](N(C)CC#Cc2ccccc2)[C@@H](C)C1 ZINC000248877595 261207706 /nfs/dbraw/zinc/20/77/06/261207706.db2.gz OISNYENHTABGIF-WMZOPIPTSA-N 2 0 270.420 2.700 20 30 CFEDRP CC(C)(CNC(=[NH2+])Nc1ccccc1)C[NH+]1CCCC1 ZINC000276568726 263037250 /nfs/dbraw/zinc/03/72/50/263037250.db2.gz CRDDXXNDIOXGKK-UHFFFAOYSA-N 2 0 274.412 2.535 20 30 CFEDRP C=CCOc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000414844290 263058556 /nfs/dbraw/zinc/05/85/56/263058556.db2.gz DMKNXPMSNCATLJ-OAHLLOKOSA-N 2 0 274.408 2.731 20 30 CFEDRP C[NH+](C)CCCC1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000340288870 263105218 /nfs/dbraw/zinc/10/52/18/263105218.db2.gz NBUWFTGVZDBKIN-HOTGVXAUSA-N 2 0 263.429 2.732 20 30 CFEDRP N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000297499620 263205621 /nfs/dbraw/zinc/20/56/21/263205621.db2.gz LHARLDNJPHILCC-JSGCOSHPSA-N 2 0 254.337 2.506 20 30 CFEDRP C=CCOc1ccccc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415004247 263209082 /nfs/dbraw/zinc/20/90/82/263209082.db2.gz YCGABKNJLQEXKI-GOEBONIOSA-N 2 0 274.408 2.859 20 30 CFEDRP C=CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000415138268 263275878 /nfs/dbraw/zinc/27/58/78/263275878.db2.gz YSCSYVUJQFPQNR-ZBFHGGJFSA-N 2 0 274.408 2.668 20 30 CFEDRP C=CCCC[C@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000341126255 263323028 /nfs/dbraw/zinc/32/30/28/263323028.db2.gz NRYHAZRRPLWOCJ-INIZCTEOSA-N 2 0 281.488 2.689 20 30 CFEDRP C[NH+](C)CCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360824060 266494109 /nfs/dbraw/zinc/49/41/09/266494109.db2.gz YAWIQNCGGNTQSX-KRWDZBQOSA-N 2 0 271.408 2.867 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000370670711 267337787 /nfs/dbraw/zinc/33/77/87/267337787.db2.gz GMOBMLXXFFITFI-CGTJXYLNSA-N 2 0 298.430 2.976 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)CC2 ZINC000423416572 274926848 /nfs/dbraw/zinc/92/68/48/274926848.db2.gz CVGIUHXOQTZDHB-HBUWYVDXSA-N 2 0 283.419 2.900 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(C#N)cc1 ZINC000401169388 278276201 /nfs/dbraw/zinc/27/62/01/278276201.db2.gz WELUMUBUMLEJPA-KKBVYLPWSA-N 2 0 269.392 2.597 20 30 CFEDRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(C#N)cc1 ZINC000423379877 288067875 /nfs/dbraw/zinc/06/78/75/288067875.db2.gz YBXVCQWYVSBMLA-OAGGEKHMSA-N 2 0 257.381 2.869 20 30 CFEDRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(C#N)cc1 ZINC000423379879 288068788 /nfs/dbraw/zinc/06/87/88/288068788.db2.gz YBXVCQWYVSBMLA-XHSDSOJGSA-N 2 0 257.381 2.869 20 30 CFEDRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000556126462 281927685 /nfs/dbraw/zinc/92/76/85/281927685.db2.gz LIQZNGKPZRNFJP-UHFFFAOYSA-N 2 0 286.423 2.507 20 30 CFEDRP C[NH+](C)C1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000348209610 289065745 /nfs/dbraw/zinc/06/57/45/289065745.db2.gz ZBYPKMORVRPQBW-UHFFFAOYSA-N 2 0 251.418 2.779 20 30 CFEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2cccc(C(C)C)c2)C1 ZINC000264078782 328157420 /nfs/dbraw/zinc/15/74/20/328157420.db2.gz GOJOIYCEWSMFLQ-AWEZNQCLSA-N 2 0 288.439 2.878 20 30 CFEDRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185845047 329333029 /nfs/dbraw/zinc/33/30/29/329333029.db2.gz OGALMXXFWLHTGU-JKSUJKDBSA-N 2 0 263.429 2.780 20 30 CFEDRP C=CCCCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000568950663 327025292 /nfs/dbraw/zinc/02/52/92/327025292.db2.gz AVIHDHRFPDFAIY-OWCLPIDISA-N 2 0 266.429 2.526 20 30 CFEDRP C[C@@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)C[NH+]1CCCCC1 ZINC000185788428 329331818 /nfs/dbraw/zinc/33/18/18/329331818.db2.gz UHEBXRXEWBCSMS-HRCADAONSA-N 2 0 263.429 2.780 20 30 CFEDRP C[NH+](C)CC1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CCCC1 ZINC000185899592 329334629 /nfs/dbraw/zinc/33/46/29/329334629.db2.gz DOKYHCGAAQZHAU-GJZGRUSLSA-N 2 0 263.429 2.780 20 30 CFEDRP C=CCSCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000261589266 329972003 /nfs/dbraw/zinc/97/20/03/329972003.db2.gz WFBNVGALKRXKOH-RBSFLKMASA-N 2 0 268.470 2.806 20 30 CFEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])C(C)C ZINC000422828020 330156574 /nfs/dbraw/zinc/15/65/74/330156574.db2.gz FOVZMIPLNOIRHD-KZNAEPCWSA-N 2 0 293.499 2.935 20 30 CFEDRP C=CCN(CC=C)[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])C(C)C ZINC000422837699 330157283 /nfs/dbraw/zinc/15/72/83/330157283.db2.gz VEEVWOPJODVXGQ-FGTMMUONSA-N 2 0 293.499 2.792 20 30 CFEDRP C=C(C)C[NH+]1CCC(N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422982079 330162559 /nfs/dbraw/zinc/16/25/59/330162559.db2.gz VKZXIKKYKWMDNS-QZTJIDSGSA-N 2 0 285.435 2.761 20 30 CFEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423094303 330169436 /nfs/dbraw/zinc/16/94/36/330169436.db2.gz JUMXMBZOAHTLOB-DDBAPUKQSA-N 2 0 288.435 2.516 20 30 CFEDRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)CCC#N ZINC000423119120 330171132 /nfs/dbraw/zinc/17/11/32/330171132.db2.gz DHMFHGKFQMHCMR-GDBMZVCRSA-N 2 0 273.424 2.864 20 30 CFEDRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000423154413 330173221 /nfs/dbraw/zinc/17/32/21/330173221.db2.gz HQUKVKHFDFPXOA-IWCQGFGOSA-N 2 0 271.408 2.617 20 30 CFEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423155246 330173289 /nfs/dbraw/zinc/17/32/89/330173289.db2.gz QIVRMJVYATYLBB-JJXSEGSLSA-N 2 0 266.429 2.620 20 30 CFEDRP N#C[C@H]1CCC[C@H](NCC[NH2+]C2CCCCCC2)C1 ZINC000423280222 330185452 /nfs/dbraw/zinc/18/54/52/330185452.db2.gz SMOPKYPXEZRDES-HOCLYGCPSA-N 2 0 263.429 2.971 20 30 CFEDRP C[NH2+]C[C@H](C)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423284395 330185670 /nfs/dbraw/zinc/18/56/70/330185670.db2.gz YIZFZJCMVJUCPM-ZLPCBKJTSA-N 2 0 285.435 2.836 20 30 CFEDRP C[NH2+]C[C@@H](C)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423284394 330185722 /nfs/dbraw/zinc/18/57/22/330185722.db2.gz YIZFZJCMVJUCPM-FAEJEUNOSA-N 2 0 285.435 2.836 20 30 CFEDRP N#CC1(c2ccccc2)CCC([NH2+]CC2([NH3+])CCC2)CC1 ZINC000423316513 330190012 /nfs/dbraw/zinc/19/00/12/330190012.db2.gz BTBFEWZMXIHEMW-UHFFFAOYSA-N 2 0 283.419 2.862 20 30 CFEDRP C=CCC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccco1 ZINC000423403464 330196231 /nfs/dbraw/zinc/19/62/31/330196231.db2.gz HTHAGJYABCRSRD-OAHLLOKOSA-N 2 0 292.423 2.893 20 30 CFEDRP C=CCC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)C1CC1 ZINC000120986720 330394108 /nfs/dbraw/zinc/39/41/08/330394108.db2.gz WCIXEMQDVSMQSJ-FUHWJXTLSA-N 2 0 293.499 2.594 20 30 CFEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000436279952 330672988 /nfs/dbraw/zinc/67/29/88/330672988.db2.gz AQECMVWVSUHRMZ-ZBFHGGJFSA-N 2 0 280.456 2.820 20 30 CFEDRP C=C(CC)C[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000449732090 330946406 /nfs/dbraw/zinc/94/64/06/330946406.db2.gz KYIHQHRDEXUKTJ-UHFFFAOYSA-N 2 0 287.451 2.884 20 30 CFEDRP C=CCOc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000347113285 526864626 /nfs/dbraw/zinc/86/46/26/526864626.db2.gz RPQVQQZAWKNQGP-CQSZACIVSA-N 2 0 274.408 2.811 20 30 CFEDRP CC[C@@H]([NH2+]CCc1cccc(C#N)c1)[C@@H]1CCCC[NH2+]1 ZINC000423112026 529169518 /nfs/dbraw/zinc/16/95/18/529169518.db2.gz XDWJDXNAZQJOKU-SJORKVTESA-N 2 0 271.408 2.611 20 30 CFEDRP CC[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423348682 529180466 /nfs/dbraw/zinc/18/04/66/529180466.db2.gz UJKUKWSOERQCIK-IAGOWNOFSA-N 2 0 271.408 2.989 20 30 CFEDRP COc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1C#N ZINC000925615052 618317529 /nfs/dbraw/zinc/31/75/29/618317529.db2.gz DTVDRLBQUHTLCX-LSDHHAIUSA-N 2 0 287.407 2.562 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925665498 618432167 /nfs/dbraw/zinc/43/21/67/618432167.db2.gz LVNUFIABUGHKCM-HOTGVXAUSA-N 2 0 272.392 2.611 20 30 CFEDRP C#CCSCC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000181101138 618684444 /nfs/dbraw/zinc/68/44/44/618684444.db2.gz WDJMYMCHCLRTSS-DOTOQJQBSA-N 2 0 294.508 2.986 20 30 CFEDRP C=CCN1CCC([NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925547707 618908301 /nfs/dbraw/zinc/90/83/01/618908301.db2.gz COCFUXGBYHVDAT-SFHVURJKSA-N 2 0 287.451 2.707 20 30 CFEDRP C=CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000925783971 619109077 /nfs/dbraw/zinc/10/90/77/619109077.db2.gz QFJNOEWWANEMQN-QWHCGFSZSA-N 2 0 258.356 2.566 20 30 CFEDRP N#C[C@H]1CCC[C@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)C1 ZINC000925885849 619204131 /nfs/dbraw/zinc/20/41/31/619204131.db2.gz AOAGTDKEQPUMIG-LEUOFYLZSA-N 2 0 283.419 2.717 20 30 CFEDRP C=CCOc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000261681917 619207797 /nfs/dbraw/zinc/20/77/97/619207797.db2.gz AIZHFQUUQBDEFH-UHFFFAOYSA-N 2 0 286.419 2.827 20 30 CFEDRP C#Cc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000894872026 619492942 /nfs/dbraw/zinc/49/29/42/619492942.db2.gz DTAZTXRHADZBOW-UHFFFAOYSA-N 2 0 291.398 2.822 20 30 CFEDRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000896388039 619727901 /nfs/dbraw/zinc/72/79/01/619727901.db2.gz QRLYPDCYVHSKQO-UHFFFAOYSA-N 2 0 298.434 2.840 20 30 CFEDRP C[C@@H](CCC#N)C[NH2+][C@@H](CCN(C)C)c1cccnc1 ZINC000896724257 619795082 /nfs/dbraw/zinc/79/50/82/619795082.db2.gz VYAXWWBUWKKTAN-HOCLYGCPSA-N 2 0 274.412 2.604 20 30 CFEDRP C[C@@H](CNC(=[NH2+])NC1CCCCCC1)[NH+]1CCC(C)CC1 ZINC000305738636 619991738 /nfs/dbraw/zinc/99/17/38/619991738.db2.gz AKWRUIHEIOHGAU-HNNXBMFYSA-N 2 0 294.487 2.734 20 30 CFEDRP CCCCCCCC[C@H](CO)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000902453970 621093198 /nfs/dbraw/zinc/09/31/98/621093198.db2.gz GOAGPKVFZVLQMN-BZUAXINKSA-N 2 0 270.461 2.957 20 30 CFEDRP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1cccc(C#N)c1 ZINC000902752075 621164844 /nfs/dbraw/zinc/16/48/44/621164844.db2.gz GCSXEQKDRVOOAR-WBVHZDCISA-N 2 0 271.408 2.941 20 30 CFEDRP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cc(C#N)ccn1 ZINC000903078703 621244753 /nfs/dbraw/zinc/24/47/53/621244753.db2.gz AXWFERBEPSCZRP-BZOOQXSSSA-N 2 0 286.423 2.867 20 30 CFEDRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000903420934 621378733 /nfs/dbraw/zinc/37/87/33/621378733.db2.gz GYEHQNFNKWDLNZ-HNNXBMFYSA-N 2 0 271.408 2.607 20 30 CFEDRP C[C@H]1CC2(C[N@@H+]1CC1CCC(C#N)CC1)CC[NH2+]CC2 ZINC000903459898 621380989 /nfs/dbraw/zinc/38/09/89/621380989.db2.gz QBYNLWHTQNHNER-FHERZECASA-N 2 0 275.440 2.780 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000903451792 621387027 /nfs/dbraw/zinc/38/70/27/621387027.db2.gz DGFTZNNEPFZRAF-UHFFFAOYSA-N 2 0 283.419 2.751 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000903452423 621387312 /nfs/dbraw/zinc/38/73/12/621387312.db2.gz LQCZIUSAMVLPPH-GOSISDBHSA-N 2 0 297.446 2.997 20 30 CFEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000911821384 622555647 /nfs/dbraw/zinc/55/56/47/622555647.db2.gz IMOORXUBCHVBMS-OAGGEKHMSA-N 2 0 297.487 2.650 20 30 CFEDRP CC(C)C[NH+]=C(NC[C@@H]1CC[N@@H+](C(C)C)C1)NC(C)(C)C ZINC000912506709 622733950 /nfs/dbraw/zinc/73/39/50/622733950.db2.gz AYJDIPSXDAXFCY-HNNXBMFYSA-N 2 0 296.503 2.706 20 30 CFEDRP N#CC1CCC(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000929695008 623512799 /nfs/dbraw/zinc/51/27/99/623512799.db2.gz DUMPFBUTFZUMFG-JCYILVPMSA-N 2 0 275.440 2.734 20 30 CFEDRP C[N@@H+]1CCC[C@H]2C[NH+](CC3CCC(C#N)CC3)CC[C@@H]21 ZINC000929849367 623939090 /nfs/dbraw/zinc/93/90/90/623939090.db2.gz XMGYOGLBWHHRGT-GQGLESIBSA-N 2 0 275.440 2.732 20 30 CFEDRP C#CCOc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000834890489 625911871 /nfs/dbraw/zinc/91/18/71/625911871.db2.gz KLMMTKLRQUEBRV-HNNXBMFYSA-N 2 0 286.419 2.519 20 30 CFEDRP C#Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000834902950 625916294 /nfs/dbraw/zinc/91/62/94/625916294.db2.gz MAOGNAWKMPIMGH-KURKYZTESA-N 2 0 268.404 2.630 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH2+]CCCC[NH+](C)C ZINC000921618659 625996917 /nfs/dbraw/zinc/99/69/17/625996917.db2.gz XPSNSOANCZKPLI-UHFFFAOYSA-N 2 0 259.397 2.607 20 30 CFEDRP CCCCCCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923457213 626473768 /nfs/dbraw/zinc/47/37/68/626473768.db2.gz HMKGIDBCKQRIKS-HNNXBMFYSA-N 2 0 268.445 2.787 20 30 CFEDRP C#Cc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000809608480 626541195 /nfs/dbraw/zinc/54/11/95/626541195.db2.gz SMEYFCPGZHMRBQ-MRXNPFEDSA-N 2 0 270.420 2.880 20 30 CFEDRP C#C[C@@H](CC)[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000809685832 626548958 /nfs/dbraw/zinc/54/89/58/626548958.db2.gz ULFGOPQBWUOREL-HNNXBMFYSA-N 2 0 285.435 2.723 20 30 CFEDRP C#CC[NH+](Cc1ccc(C[N@@H+](CC#C)C2CC2)cc1)C1CC1 ZINC000763943990 627024158 /nfs/dbraw/zinc/02/41/58/627024158.db2.gz JKQDGLTWLJEMPT-UHFFFAOYSA-N 2 0 292.426 2.882 20 30 CFEDRP C#CCCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000766934806 627227845 /nfs/dbraw/zinc/22/78/45/627227845.db2.gz ITWSDKIFYCNKTG-UHFFFAOYSA-N 2 0 262.441 2.988 20 30 CFEDRP C=CCN1CCC([NH2+][C@@H](C)c2c(C)onc2CC)CC1 ZINC000769871279 627482332 /nfs/dbraw/zinc/48/23/32/627482332.db2.gz FXNMKHUPXVQQLX-LBPRGKRZSA-N 2 0 277.412 2.846 20 30 CFEDRP C=CCOc1cccc(C[NH2+]C2CCC([NH3+])CC2)c1 ZINC000843106461 631836695 /nfs/dbraw/zinc/83/66/95/631836695.db2.gz LLPNMUWAEHVZSW-UHFFFAOYSA-N 2 0 260.381 2.611 20 30 CFEDRP C=CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccncc1 ZINC000817895274 632720819 /nfs/dbraw/zinc/72/08/19/632720819.db2.gz WQMPMDZHYDYPOW-QXULXFAOSA-N 2 0 257.381 2.571 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000817961457 632760499 /nfs/dbraw/zinc/76/04/99/632760499.db2.gz ZCGTWPGLEKKNLP-QILLFSRXSA-N 2 0 286.419 2.867 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000817961456 632760938 /nfs/dbraw/zinc/76/09/38/632760938.db2.gz ZCGTWPGLEKKNLP-LESCRADOSA-N 2 0 286.419 2.867 20 30 CFEDRP N#CCC[C@@H](C#N)C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000819142803 632983391 /nfs/dbraw/zinc/98/33/91/632983391.db2.gz RCHPIYHHRLFRAG-GTPINHCMSA-N 2 0 288.439 2.817 20 30 CFEDRP C=CCOc1ccccc1C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873222082 642074799 /nfs/dbraw/zinc/07/47/99/642074799.db2.gz YSQHHHMYNBLHCV-CQSZACIVSA-N 2 0 274.408 2.729 20 30 CFEDRP N#Cc1cccc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)c1 ZINC000873231224 642084073 /nfs/dbraw/zinc/08/40/73/642084073.db2.gz LGFGZZMDVXMLTB-KRWDZBQOSA-N 2 0 283.419 2.960 20 30 CFEDRP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000873276109 642115207 /nfs/dbraw/zinc/11/52/07/642115207.db2.gz QVIMIUTVJBKBDC-NCXUSEDFSA-N 2 0 295.430 2.536 20 30 CFEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000877073755 643136153 /nfs/dbraw/zinc/13/61/53/643136153.db2.gz RPMHCQBJZZIENL-PMPSAXMXSA-N 2 0 293.455 2.548 20 30 CFEDRP C[N@H+](CCCC[NH2+]Cc1cc(C#N)cnc1Cl)C1CC1 ZINC000877578076 643375717 /nfs/dbraw/zinc/37/57/17/643375717.db2.gz TTYKEQYCZPXQGC-UHFFFAOYSA-N 2 0 292.814 2.571 20 30 CFEDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(C#N)s1)CC2 ZINC000877684317 643453618 /nfs/dbraw/zinc/45/36/18/643453618.db2.gz LSOPBGDKPCJRLP-UHFFFAOYSA-N 2 0 289.448 2.928 20 30 CFEDRP C=CC[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000878156266 643764271 /nfs/dbraw/zinc/76/42/71/643764271.db2.gz YDANGBYHUWTHLM-HNNXBMFYSA-N 2 0 266.429 2.528 20 30 CFEDRP Cc1cccc(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC000303773713 651001759 /nfs/dbraw/zinc/00/17/59/651001759.db2.gz FJNXYAVKXLIYJL-MRXNPFEDSA-N 2 0 288.439 2.842 20 30 CFEDRP CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](C)C2)cc1 ZINC000303900208 651008230 /nfs/dbraw/zinc/00/82/30/651008230.db2.gz SDCUYKIOGRFSTK-KBPBESRZSA-N 2 0 288.439 2.878 20 30 CFEDRP CCC[NH+](CCC)CCCNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000303868772 651004338 /nfs/dbraw/zinc/00/43/38/651004338.db2.gz DNFCCSTUXRHEFK-OAHLLOKOSA-N 2 0 282.476 2.545 20 30 CFEDRP CC[C@@H](CNC(=[NH2+])Nc1ccc(C)c(C)c1)[NH+]1CCCC1 ZINC000303877434 651005234 /nfs/dbraw/zinc/00/52/34/651005234.db2.gz FGIBXZCFSFZFLY-INIZCTEOSA-N 2 0 288.439 2.904 20 30 CFEDRP CCc1ccc(NC(=[NH2+])NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000303881319 651005626 /nfs/dbraw/zinc/00/56/26/651005626.db2.gz HOMQAIWPVPJZAJ-AWEZNQCLSA-N 2 0 288.439 2.708 20 30 CFEDRP CCc1cccc(NC(=[NH2+])NCC[NH+]2CCCCCC2)c1 ZINC000303888493 651006640 /nfs/dbraw/zinc/00/66/40/651006640.db2.gz LKVPJZXGWVDJJD-UHFFFAOYSA-N 2 0 288.439 2.852 20 30 CFEDRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=[NH2+])N2CCCCC2)C1 ZINC000303889594 651006647 /nfs/dbraw/zinc/00/66/47/651006647.db2.gz PNNULWZDRCQWHF-GASCZTMLSA-N 2 0 294.487 2.544 20 30 CFEDRP Cc1cc(C)cc(NC(=[NH2+])NCC[NH+]2CCCCCC2)c1 ZINC000303911171 651009098 /nfs/dbraw/zinc/00/90/98/651009098.db2.gz ZHTHLDOAWQYRQO-UHFFFAOYSA-N 2 0 288.439 2.906 20 30 CFEDRP CCC(CC)(CNC(NC)=[NH+]C)[NH2+][C@H](C)c1ccccc1 ZINC000304053393 651014269 /nfs/dbraw/zinc/01/42/69/651014269.db2.gz LKOFJBJBKSVTEV-CQSZACIVSA-N 2 0 290.455 2.691 20 30 CFEDRP CCC[N@H+](CC)CCNC(=[NH2+])Nc1cccc(CC)c1 ZINC000304464020 651025835 /nfs/dbraw/zinc/02/58/35/651025835.db2.gz AQTCQTRDEDASLY-UHFFFAOYSA-N 2 0 276.428 2.708 20 30 CFEDRP C=CCC[C@H]([NH2+]CCC[NH+]1CCCCC1)[C@H]1CCCO1 ZINC000883167273 645635514 /nfs/dbraw/zinc/63/55/14/645635514.db2.gz UJVRXWGOWWMBKP-DLBZAZTESA-N 2 0 280.456 2.966 20 30 CFEDRP C=CCC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)[C@@H]1CCCO1 ZINC000883169550 645637532 /nfs/dbraw/zinc/63/75/32/645637532.db2.gz YRPUCQFMHQHEPO-HOTGVXAUSA-N 2 0 268.445 2.820 20 30 CFEDRP C=CCC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CCCO1 ZINC000883174453 645641003 /nfs/dbraw/zinc/64/10/03/645641003.db2.gz KXKDSMAHMKCNCM-QZTJIDSGSA-N 2 0 292.467 2.964 20 30 CFEDRP C=CCC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@H]1CCCO1 ZINC000883219027 645671798 /nfs/dbraw/zinc/67/17/98/645671798.db2.gz LHTIGGXSBFJGQT-ZWKOTPCHSA-N 2 0 292.467 2.964 20 30 CFEDRP C=CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCCO1 ZINC000883226985 645676967 /nfs/dbraw/zinc/67/69/67/645676967.db2.gz JGBZQRXWZVDPPH-LDBYLJPUSA-N 2 0 278.440 2.715 20 30 CFEDRP C=CCC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCO1 ZINC000883228058 645677994 /nfs/dbraw/zinc/67/79/94/645677994.db2.gz DWQJNCMAQPNEKU-IKGGRYGDSA-N 2 0 280.456 2.822 20 30 CFEDRP C=C(C)COCC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886551044 647043746 /nfs/dbraw/zinc/04/37/46/647043746.db2.gz AKNZJPFMAZFHDQ-UHFFFAOYSA-N 2 0 280.456 2.966 20 30 CFEDRP CCC1([NH+]2CCC2)CC[NH+](CCCSCC#N)CC1 ZINC000886710575 647118820 /nfs/dbraw/zinc/11/88/20/647118820.db2.gz ANFNHIVIGRSLAL-UHFFFAOYSA-N 2 0 281.469 2.584 20 30 CFEDRP CC[C@@H](CNC(=[NH2+])Nc1cc(C)cc(C)c1)[NH+]1CCCC1 ZINC000104166825 647552532 /nfs/dbraw/zinc/55/25/32/647552532.db2.gz DUUDBFVMMGZOGX-INIZCTEOSA-N 2 0 288.439 2.904 20 30 CFEDRP Cc1cccc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000104176339 647554177 /nfs/dbraw/zinc/55/41/77/647554177.db2.gz NRPWLKSGFXAEQJ-HNNXBMFYSA-N 2 0 288.439 2.844 20 30 CFEDRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000925655615 648265204 /nfs/dbraw/zinc/26/52/04/648265204.db2.gz SHUCURRRPNEOIN-NEXFUWMNSA-N 2 0 263.429 2.812 20 30 CFEDRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(C#N)cc1 ZINC000925847643 648344223 /nfs/dbraw/zinc/34/42/23/648344223.db2.gz XPJFCCRZCYEFKV-KBRIMQKVSA-N 2 0 269.392 2.741 20 30 CFEDRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000927035537 648688671 /nfs/dbraw/zinc/68/86/71/648688671.db2.gz BEEZTPWVRMGIGF-CIDNJEQPSA-N 2 0 261.413 2.675 20 30 CFEDRP CC[NH+](CC)CC1CC[NH+](Cc2cncc(C#N)c2)CC1 ZINC000929275994 649021702 /nfs/dbraw/zinc/02/17/02/649021702.db2.gz MXLDSJNFQXEOQF-UHFFFAOYSA-N 2 0 286.423 2.507 20 30 CFEDRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cncc(C#N)c1 ZINC000931704020 649475850 /nfs/dbraw/zinc/47/58/50/649475850.db2.gz OXWNKWZKNKMQLO-UHFFFAOYSA-N 2 0 286.423 2.651 20 30 CFEDRP C#CC[NH+](Cc1cncc(C[N@@H+](CC#C)C(C)C)c1)C(C)C ZINC000932387753 649591551 /nfs/dbraw/zinc/59/15/51/649591551.db2.gz JXVYHSXTGYIYQI-UHFFFAOYSA-N 2 0 297.446 2.769 20 30 CFEDRP C[C@H](CNC(=[NH2+])NC1CCCCCC1)C[NH+]1CCCCC1 ZINC000305747762 651074796 /nfs/dbraw/zinc/07/47/96/651074796.db2.gz TVZAUMNNJXTRAS-OAHLLOKOSA-N 2 0 294.487 2.736 20 30 CFEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001155174936 782243156 /nfs/dbraw/zinc/24/31/56/782243156.db2.gz MCQKHJGMLGEHLE-HZPDHXFCSA-N 2 0 297.487 2.510 20 30 CFEDRP C#C[C@H]1CCC[N@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001235947233 778621720 /nfs/dbraw/zinc/62/17/20/778621720.db2.gz ZCTMDGWVFYJQRZ-HNNXBMFYSA-N 2 0 293.414 2.590 20 30 CFEDRP C=CCCC[NH+]1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001209160053 770007766 /nfs/dbraw/zinc/00/77/66/770007766.db2.gz AVXVWVUFYGVOEB-MRXNPFEDSA-N 2 0 266.429 2.528 20 30 CFEDRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001167835572 776585656 /nfs/dbraw/zinc/58/56/56/776585656.db2.gz RJADPCJCCYUVRR-CABCVRRESA-N 2 0 251.418 2.732 20 30 CFEDRP C[Si](C)(C)C#Cc1ccc(NC(=[NH2+])SCC[NH3+])cc1 ZINC001167915001 776843169 /nfs/dbraw/zinc/84/31/69/776843169.db2.gz PKIHQWLOEIFZPL-UHFFFAOYSA-N 2 0 291.496 2.954 20 30 CFEDRP C#Cc1cccc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)c1 ZINC001231662320 777299473 /nfs/dbraw/zinc/29/94/73/777299473.db2.gz CNYYGNGWZRMMAT-UHFFFAOYSA-N 2 0 291.398 2.694 20 30 CFEDRP CCCCCCCCC[N@@H+]1CCO[C@H](CC[NH3+])C1 ZINC001204748423 777476921 /nfs/dbraw/zinc/47/69/21/777476921.db2.gz LDMYMLJFQRQYJF-OAHLLOKOSA-N 2 0 256.434 2.787 20 30 CFEDRP C=CCCCCCC[N@@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235005895 778352356 /nfs/dbraw/zinc/35/23/56/778352356.db2.gz HDPJCOBNMHBUJH-KRWDZBQOSA-N 2 0 280.456 2.825 20 30 CFEDRP CC[N@H+](C)C1CCN(Cc2ccccc2CC#N)CC1 ZINC001235527573 778512155 /nfs/dbraw/zinc/51/21/55/778512155.db2.gz JQISHAWUVUBJJG-UHFFFAOYSA-N 2 0 271.408 2.669 20 30 CFEDRP C[NH+]1CCC2(CC[N@H+](Cc3ccccc3CC#N)C2)CC1 ZINC001235530951 778513032 /nfs/dbraw/zinc/51/30/32/778513032.db2.gz YSGUFWQNYGYFAR-UHFFFAOYSA-N 2 0 283.419 2.670 20 30 CFEDRP [NH3+]C[C@H]1CC[N@H+](Cc2ccccc2C#Cc2ccccc2)C1 ZINC001235748490 778552658 /nfs/dbraw/zinc/55/26/58/778552658.db2.gz ARJPKBVANVIMNZ-GOSISDBHSA-N 2 0 290.410 2.867 20 30 CFEDRP C#CC[N@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC001235833513 778573152 /nfs/dbraw/zinc/57/31/52/778573152.db2.gz FZTKEJCGXSLUJJ-VQIMIIECSA-N 2 0 282.431 2.999 20 30 CFEDRP C#CCOc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC001235883781 778590458 /nfs/dbraw/zinc/59/04/58/778590458.db2.gz OPHFPZYMZHRWPQ-LJQANCHMSA-N 2 0 298.430 2.663 20 30 CFEDRP C(#CC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1)c1ccccc1 ZINC001236303909 778767703 /nfs/dbraw/zinc/76/77/03/778767703.db2.gz VAYVBELCPJZHRL-LJQANCHMSA-N 2 0 282.431 2.750 20 30 CFEDRP C=CC[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)C(C)(C)C ZINC001236307303 778770051 /nfs/dbraw/zinc/77/00/51/778770051.db2.gz AGUJHNGGXYFPAY-UHFFFAOYSA-N 2 0 287.451 2.883 20 30 CFEDRP C=C(C)C[N@@H+](CC)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236888674 778973901 /nfs/dbraw/zinc/97/39/01/778973901.db2.gz FXJSCEPLWZWPEP-UHFFFAOYSA-N 2 0 287.451 2.836 20 30 CFEDRP CCc1cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)ccc1C#N ZINC001238768661 779387035 /nfs/dbraw/zinc/38/70/35/779387035.db2.gz MGQJGMGZTBKREM-UHFFFAOYSA-N 2 0 283.419 2.648 20 30 CFEDRP N#Cc1cc(-c2ccc3c(c2)[C@H]([NH3+])CC3)cc(C2C[NH2+]C2)c1 ZINC001240361192 780114062 /nfs/dbraw/zinc/11/40/62/780114062.db2.gz LBPIJAVEICZODM-LJQANCHMSA-N 2 0 289.382 2.858 20 30 CFEDRP CCCCCCCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710664674 781346016 /nfs/dbraw/zinc/34/60/16/781346016.db2.gz NYHAQKLRJJFEQQ-UHFFFAOYSA-N 2 0 270.461 2.735 20 30 CFEDRP N#Cc1cncc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)c1 ZINC001242275292 781358488 /nfs/dbraw/zinc/35/84/88/781358488.db2.gz ZZFZVORFTNVGBA-UHFFFAOYSA-N 2 0 292.386 2.543 20 30 CFEDRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(C#N)c(F)c1 ZINC000594508616 349435048 /nfs/dbraw/zinc/43/50/48/349435048.db2.gz DREZGSSSQUXNRO-SLEUVZQESA-N 2 0 275.371 2.688 20 30 CFEDRP N#Cc1ccc(CC[NH2+][C@H](CN)C2CCCCC2)cc1 ZINC000595892596 349762961 /nfs/dbraw/zinc/76/29/61/349762961.db2.gz NHWUQBOVPCPTFZ-QGZVFWFLSA-N 2 0 271.408 2.598 20 30 CFEDRP CC[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423348681 529622375 /nfs/dbraw/zinc/62/23/75/529622375.db2.gz UJKUKWSOERQCIK-DLBZAZTESA-N 2 0 271.408 2.989 20 30 CFEDRP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423210415 529665833 /nfs/dbraw/zinc/66/58/33/529665833.db2.gz GETNAJYWDIPAAR-XYPHTWIQSA-N 2 0 271.408 2.987 20 30 CFEDRP CC(C)[N@H+](C)CC1CC[NH+](CCCSCC#N)CC1 ZINC000074990227 347046217 /nfs/dbraw/zinc/04/62/17/347046217.db2.gz AAXVBBGWWSODIQ-UHFFFAOYSA-N 2 0 283.485 2.685 20 30 CFEDRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000036991805 346325865 /nfs/dbraw/zinc/32/58/65/346325865.db2.gz RSTGYGHRWXLGHZ-KBPBESRZSA-N 2 0 271.408 2.939 20 30 CFEDRP CC1CC[NH+](CC2CC[NH+](CCCC#N)CC2)CC1 ZINC000052185076 346516242 /nfs/dbraw/zinc/51/62/42/346516242.db2.gz GAOYTZRYGVAEHR-UHFFFAOYSA-N 2 0 263.429 2.734 20 30 CFEDRP C=CCCSCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000596650154 349968935 /nfs/dbraw/zinc/96/89/35/349968935.db2.gz IFKJBDMGKKJZSW-ZBFHGGJFSA-N 2 0 278.465 2.844 20 30 CFEDRP C=CCCC[C@H](C)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000091578148 347592767 /nfs/dbraw/zinc/59/27/67/347592767.db2.gz YVYNFFDMPUFLAF-HNNXBMFYSA-N 2 0 268.445 2.510 20 30 CFEDRP CC[NH+]1CCC(C[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000404104660 348589561 /nfs/dbraw/zinc/58/95/61/348589561.db2.gz FZZQHJIUDILYEY-UHFFFAOYSA-N 2 0 275.371 2.519 20 30 CFEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000591728109 349040644 /nfs/dbraw/zinc/04/06/44/349040644.db2.gz YBYVONJLXGNBIC-IXDOHACOSA-N 2 0 290.455 2.778 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000591577869 349030933 /nfs/dbraw/zinc/03/09/33/349030933.db2.gz KBMPZFYDLHQWSS-YOEHRIQHSA-N 2 0 269.392 2.525 20 30 CFEDRP N#Cc1cccc(C2([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000592470804 349126221 /nfs/dbraw/zinc/12/62/21/349126221.db2.gz IUAPOKSROGFQMT-YQQAZPJKSA-N 2 0 281.403 2.525 20 30 CFEDRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cccc(C#N)c1 ZINC000593323650 349247287 /nfs/dbraw/zinc/24/72/87/349247287.db2.gz SIZQTDZYTHSHLC-CYBMUJFWSA-N 2 0 257.381 2.599 20 30 CFEDRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000593321261 349247398 /nfs/dbraw/zinc/24/73/98/349247398.db2.gz HFDOZWKDEKLTHX-GFCCVEGCSA-N 2 0 275.371 2.738 20 30 CFEDRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000593646946 349304361 /nfs/dbraw/zinc/30/43/61/349304361.db2.gz UKGIKRGDQPVKPK-LSDHHAIUSA-N 2 0 251.418 2.636 20 30 CFEDRP N#Cc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000598679299 350309337 /nfs/dbraw/zinc/30/93/37/350309337.db2.gz FJCCCHCNKZPIPY-WMZOPIPTSA-N 2 0 283.419 2.770 20 30 CFEDRP Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1C#N ZINC000600708781 350599015 /nfs/dbraw/zinc/59/90/15/350599015.db2.gz GGNKVXBLMDJCNA-PBHICJAKSA-N 2 0 271.408 2.816 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](C)CCC#N)C[C@@H]1C ZINC000602470803 350894825 /nfs/dbraw/zinc/89/48/25/350894825.db2.gz HWNDCCFQBNKBHO-KKUMJFAQSA-N 2 0 251.418 2.731 20 30 CFEDRP C[C@@H](CCC#N)C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000602661047 350965739 /nfs/dbraw/zinc/96/57/39/350965739.db2.gz BRNIZEKJAPZRJG-HOCLYGCPSA-N 2 0 263.429 2.590 20 30 CFEDRP C[C@H](CCC#N)C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000602715922 350997042 /nfs/dbraw/zinc/99/70/42/350997042.db2.gz QARKACLAYAJDIB-GDBMZVCRSA-N 2 0 263.429 2.638 20 30 CFEDRP C[NH+]1CCC(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392354 351680695 /nfs/dbraw/zinc/68/06/95/351680695.db2.gz TTZMDOQIWAHLEA-GOSISDBHSA-N 2 0 283.419 2.867 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152411703 188017129 /nfs/dbraw/zinc/01/71/29/188017129.db2.gz OXNWMZNLHAQVBX-CVEARBPZSA-N 2 0 298.430 2.834 20 30 CFEDRP N#Cc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000278302414 283144686 /nfs/dbraw/zinc/14/46/86/283144686.db2.gz CYWILGJYCSGWHB-UHFFFAOYSA-N 2 0 269.392 2.522 20 30 CFEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CC2 ZINC000423470376 283196942 /nfs/dbraw/zinc/19/69/42/283196942.db2.gz DHJAULCTKRZFJF-WBVHZDCISA-N 2 0 269.392 2.667 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])CC2 ZINC000423281681 283199254 /nfs/dbraw/zinc/19/92/54/283199254.db2.gz UJGMUKAYVUFBGV-HYVNUMGLSA-N 2 0 269.392 2.653 20 30 CFEDRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(C#N)cc1 ZINC000423480343 299308931 /nfs/dbraw/zinc/30/89/31/299308931.db2.gz VTHSWNDYHBAXMK-JGGQBBKZSA-N 2 0 257.381 2.726 20 30 CFEDRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1F ZINC000423256846 238312091 /nfs/dbraw/zinc/31/20/91/238312091.db2.gz GHNNGBRMVZHLBW-STQMWFEESA-N 2 0 275.371 2.738 20 30 CFEDRP Cc1nccn1CC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425538960 239094680 /nfs/dbraw/zinc/09/46/80/239094680.db2.gz SXVGORYXAQSKEN-CYBMUJFWSA-N 2 0 268.364 2.756 20 30 CFEDRP C=CC[N@@H+](CCc1ccco1)Cc1cnc(C)n1C ZINC000667947071 541348197 /nfs/dbraw/zinc/34/81/97/541348197.db2.gz FNQKOEIAABTWOP-UHFFFAOYSA-N 2 0 259.353 2.552 20 30 CFEDRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000227498662 296117191 /nfs/dbraw/zinc/11/71/91/296117191.db2.gz FWYNSOSDOFNVMR-CQSZACIVSA-N 2 0 271.408 2.941 20 30 CFEDRP Cc1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)ccc1C#N ZINC000453590842 243609268 /nfs/dbraw/zinc/60/92/68/243609268.db2.gz BWAZOSQGNCHNRF-UHFFFAOYSA-N 2 0 271.408 2.831 20 30 CFEDRP Cc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccc1C#N ZINC000459787793 245327275 /nfs/dbraw/zinc/32/72/75/245327275.db2.gz QAHNWRNQQZILGB-HNNXBMFYSA-N 2 0 271.408 2.688 20 30 CFEDRP CCc1cccc(NC(=[NH2+])NCCC[N@H+](C)C(C)C)c1 ZINC000264091898 383695866 /nfs/dbraw/zinc/69/58/66/383695866.db2.gz LHAZSDJRHGHZOY-UHFFFAOYSA-N 2 0 276.428 2.706 20 30 CFEDRP CC#CCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000155324735 378621779 /nfs/dbraw/zinc/62/17/79/378621779.db2.gz YXYGHTZIPUEMEJ-QGZVFWFLSA-N 2 0 262.441 2.844 20 30 CFEDRP CC[N@H+](C)C[C@H]1CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000173900451 379797947 /nfs/dbraw/zinc/79/79/47/379797947.db2.gz ZHNFXFITJVHUNE-OAHLLOKOSA-N 2 0 296.418 2.585 20 30 CFEDRP C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000180542491 380674328 /nfs/dbraw/zinc/67/43/28/380674328.db2.gz NZOHOJFBRVBXMH-OFQRWUPVSA-N 2 0 299.418 2.865 20 30 CFEDRP C[NH+](C)CC1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000341185462 380821606 /nfs/dbraw/zinc/82/16/06/380821606.db2.gz JRCIRQKUIXIRPI-UHFFFAOYSA-N 2 0 296.418 2.585 20 30 CFEDRP C[C@@H](CCC#N)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000411499976 381028963 /nfs/dbraw/zinc/02/89/63/381028963.db2.gz RVELZLCYTLBZCQ-INIZCTEOSA-N 2 0 293.455 2.503 20 30 CFEDRP CC#CCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000354176301 381121455 /nfs/dbraw/zinc/12/14/55/381121455.db2.gz DDMGVDYBJOPYLK-UHFFFAOYSA-N 2 0 299.462 2.720 20 30 CFEDRP C#Cc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000289803034 381165759 /nfs/dbraw/zinc/16/57/59/381165759.db2.gz SLXSNTSOFIJLHA-JWTNVVGKSA-N 2 0 268.404 2.725 20 30 CFEDRP C[C@@H](C#N)CNCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000183822126 381325010 /nfs/dbraw/zinc/32/50/10/381325010.db2.gz VYCSTLDKFCFQEA-HNNXBMFYSA-N 2 0 273.424 2.894 20 30 CFEDRP C#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000290296963 381373271 /nfs/dbraw/zinc/37/32/71/381373271.db2.gz HLVZBBYFPPQQQN-SFHVURJKSA-N 2 0 270.420 2.878 20 30 CFEDRP C#CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000296452726 381401755 /nfs/dbraw/zinc/40/17/55/381401755.db2.gz MUNDBOUFCVXJRA-IIDMSEBBSA-N 2 0 286.419 2.517 20 30 CFEDRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000414170732 381567427 /nfs/dbraw/zinc/56/74/27/381567427.db2.gz CGFBPOSOYMPSCZ-RDTXWAMCSA-N 2 0 283.419 2.867 20 30 CFEDRP C[N@@H+]1CC[C@]2(CCN(CC#Cc3cccc(Cl)c3)C2)C1 ZINC000292195901 381794788 /nfs/dbraw/zinc/79/47/88/381794788.db2.gz RVCBOAHAPAJHHV-KRWDZBQOSA-N 2 0 288.822 2.719 20 30 CFEDRP C=CCOc1cccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292762717 381825406 /nfs/dbraw/zinc/82/54/06/381825406.db2.gz JPEQCHHAXJBQPU-GOSISDBHSA-N 2 0 286.419 2.779 20 30 CFEDRP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373239487 381957852 /nfs/dbraw/zinc/95/78/52/381957852.db2.gz ARSGZIDOVGMBAP-GOSISDBHSA-N 2 0 293.499 2.833 20 30 CFEDRP C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000344161616 382170922 /nfs/dbraw/zinc/17/09/22/382170922.db2.gz GULDYMMSIFRIQL-DCGLDWPTSA-N 2 0 269.392 2.692 20 30 CFEDRP CN1CCC([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000352840577 382478230 /nfs/dbraw/zinc/47/82/30/382478230.db2.gz NWLNWCILAUZPRT-UHFFFAOYSA-N 2 0 297.324 2.761 20 30 CFEDRP C=CCC[N@@H+](C)Cc1ccc(CN2CCOCC2)cc1 ZINC000420920861 382499480 /nfs/dbraw/zinc/49/94/80/382499480.db2.gz KKJLYBVKUGDELS-UHFFFAOYSA-N 2 0 274.408 2.527 20 30 CFEDRP C[C@@H](C#N)Oc1ccc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000366488638 382519498 /nfs/dbraw/zinc/51/94/98/382519498.db2.gz JKFVRDLDGJZYBO-MAUKXSAKSA-N 2 0 299.418 2.505 20 30 CFEDRP C=CCOc1ccccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346859994 382549114 /nfs/dbraw/zinc/54/91/14/382549114.db2.gz ZUIWNMOXIBYOSW-XIRDDKMYSA-N 2 0 286.419 2.811 20 30 CFEDRP C=CCOc1ccccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346859993 382549247 /nfs/dbraw/zinc/54/92/47/382549247.db2.gz ZUIWNMOXIBYOSW-USXIJHARSA-N 2 0 286.419 2.811 20 30 CFEDRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cccc(C#N)c1 ZINC000387274228 382597174 /nfs/dbraw/zinc/59/71/74/382597174.db2.gz DXTUQOQXRYNRFL-UHFFFAOYSA-N 2 0 259.397 2.768 20 30 CFEDRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000193506824 382720445 /nfs/dbraw/zinc/72/04/45/382720445.db2.gz ZACQAOCQFOWQPL-CABCVRRESA-N 2 0 299.418 2.724 20 30 CFEDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442640096 382940098 /nfs/dbraw/zinc/94/00/98/382940098.db2.gz AEBKEXNKXRDHPO-KKUMJFAQSA-N 2 0 251.418 2.779 20 30 CFEDRP C[N@H+](CCC[NH2+][C@H]1CC[C@H](C#N)C1)C1CCCCC1 ZINC000442650628 382941489 /nfs/dbraw/zinc/94/14/89/382941489.db2.gz OEQWQDVLTMRBMA-GJZGRUSLSA-N 2 0 263.429 2.923 20 30 CFEDRP CC(C)CN1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442846234 382959988 /nfs/dbraw/zinc/95/99/88/382959988.db2.gz JFPFZSJFFWJXCT-ARFHVFGLSA-N 2 0 263.429 2.779 20 30 CFEDRP C=CCCC[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000539248164 382961571 /nfs/dbraw/zinc/96/15/71/382961571.db2.gz LDAVOWJVZOWOGT-ZWKOTPCHSA-N 2 0 293.499 2.832 20 30 CFEDRP C=CCC[C@H](CCC)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442865631 382962462 /nfs/dbraw/zinc/96/24/62/382962462.db2.gz FZMJKZCDFYSZEJ-INIZCTEOSA-N 2 0 281.488 2.737 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH2+]CC2CCC(C#N)CC2)[C@@H](C)C1 ZINC000442865348 382962658 /nfs/dbraw/zinc/96/26/58/382962658.db2.gz FIQLHYSAQOHWJF-LBDPXKHJSA-N 2 0 263.429 2.636 20 30 CFEDRP C=CCOc1ccccc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442918499 382963535 /nfs/dbraw/zinc/96/35/35/382963535.db2.gz GYVJJTVVPSLXLN-OAHLLOKOSA-N 2 0 274.408 2.812 20 30 CFEDRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(C#N)cc1F ZINC000423482261 383113973 /nfs/dbraw/zinc/11/39/73/383113973.db2.gz OWCRJMUXNXXMOB-JSGCOSHPSA-N 2 0 275.371 2.880 20 30 CFEDRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc(C#N)c1 ZINC000423484004 383115628 /nfs/dbraw/zinc/11/56/28/383115628.db2.gz QPNZNOGSXSDSIV-XJKSGUPXSA-N 2 0 257.381 2.741 20 30 CFEDRP C[C@H]1C[C@@H](CC[NH2+]CCC#N)C[N@@H+]1Cc1ccccc1 ZINC000566117351 383183885 /nfs/dbraw/zinc/18/38/85/383183885.db2.gz UNKYUVAGXKHOOY-DOTOQJQBSA-N 2 0 271.408 2.790 20 30 CFEDRP C=CCC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248576799 383263719 /nfs/dbraw/zinc/26/37/19/383263719.db2.gz NOONBXYZMKKQTC-INMHGKMJSA-N 2 0 280.456 2.556 20 30 CFEDRP C=CCC[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000449698405 383361757 /nfs/dbraw/zinc/36/17/57/383361757.db2.gz NJAMZLXIOFDJIQ-JQHSSLGASA-N 2 0 294.483 2.946 20 30 CFEDRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc(C#N)cc1 ZINC000251425021 383387545 /nfs/dbraw/zinc/38/75/45/383387545.db2.gz IHKNEWASHWKIOV-RCBQFDQVSA-N 2 0 257.381 2.726 20 30 CFEDRP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1C#N ZINC000488172272 383502933 /nfs/dbraw/zinc/50/29/33/383502933.db2.gz RESLEVMELRFWCZ-QZTJIDSGSA-N 2 0 283.419 2.783 20 30 CFEDRP CC(C)[C@@H](C)[NH+](C)CC#CC[N@@H+](C)[C@@H](C)C(C)C ZINC000530471352 383770257 /nfs/dbraw/zinc/77/02/57/383770257.db2.gz IYUMKJXYDWDXSW-IYBDPMFKSA-N 2 0 252.446 2.942 20 30 CFEDRP C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000436279950 383799437 /nfs/dbraw/zinc/79/94/37/383799437.db2.gz AQECMVWVSUHRMZ-GOEBONIOSA-N 2 0 280.456 2.820 20 30 CFEDRP N#Cc1ccccc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000265524846 383938849 /nfs/dbraw/zinc/93/88/49/383938849.db2.gz UIGRXGZLLSYMTB-UHFFFAOYSA-N 2 0 266.348 2.661 20 30 CFEDRP CC(C)C[C@H](CNC(=[NH2+])N(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000267473327 384399387 /nfs/dbraw/zinc/39/93/87/384399387.db2.gz YPGLJLQAOCJAAG-GOEBONIOSA-N 2 0 290.455 2.628 20 30 CFEDRP C=C(C)C[NH+]1CCC(NCc2cc(C)ns2)CC1 ZINC000638523855 384720690 /nfs/dbraw/zinc/72/06/90/384720690.db2.gz HRQCPSYBZOUOSN-UHFFFAOYSA-N 2 0 265.426 2.582 20 30 CFEDRP C[C@@H](N[C@@H](C)CC[NH+](C)C)c1ccc(C#N)c(F)c1 ZINC000271927891 385403668 /nfs/dbraw/zinc/40/36/68/385403668.db2.gz HAJTVPZYCRPWET-NWDGAFQWSA-N 2 0 263.360 2.688 20 30 CFEDRP CC[NH+](CC)CCOC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000339009495 393810064 /nfs/dbraw/zinc/81/00/64/393810064.db2.gz KEFQTYXLDQHVLL-JKSUJKDBSA-N 2 0 293.455 2.501 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(C#N)cc1F ZINC000423555010 394297336 /nfs/dbraw/zinc/29/73/36/394297336.db2.gz XPTBGDNCUZKDJK-CYUUQNCZSA-N 2 0 287.382 2.736 20 30 CFEDRP C=C(C)CC[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000648727224 395287245 /nfs/dbraw/zinc/28/72/45/395287245.db2.gz HFVFITKDCBLQFG-UHFFFAOYSA-N 2 0 262.397 2.683 20 30 CFEDRP C=C(C)[C@@H](CO)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000649353242 395476871 /nfs/dbraw/zinc/47/68/71/395476871.db2.gz PYNQFIDCBCHTJA-FUHWJXTLSA-N 2 0 294.483 2.900 20 30 CFEDRP C=CCc1cc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc(OC)c1O ZINC000663497664 413240507 /nfs/dbraw/zinc/24/05/07/413240507.db2.gz DYCLMFPLDHUWPI-OAHLLOKOSA-N 2 0 292.423 2.592 20 30 CFEDRP COc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)ccc1C#N ZINC000367031625 156267199 /nfs/dbraw/zinc/26/71/99/156267199.db2.gz WATLNXRUDUDOSG-UHFFFAOYSA-N 2 0 299.418 2.627 20 30 CFEDRP C[N@H+](C[C@H]1CC12CC[NH+](Cc1ccc(C#N)o1)CC2)C1CC1 ZINC000374282738 157092501 /nfs/dbraw/zinc/09/25/01/157092501.db2.gz ISUYBSYDUGIWMU-CQSZACIVSA-N 2 0 299.418 2.848 20 30 CFEDRP C[NH+](C)C1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000353525336 163386117 /nfs/dbraw/zinc/38/61/17/163386117.db2.gz YINJGHIIRCJKKC-UHFFFAOYSA-N 2 0 275.371 2.660 20 30 CFEDRP C=CCOc1cccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655826141 414462090 /nfs/dbraw/zinc/46/20/90/414462090.db2.gz RJCSXMSHQPLDLP-IYBDPMFKSA-N 2 0 274.408 2.681 20 30 CFEDRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000044532943 175195954 /nfs/dbraw/zinc/19/59/54/175195954.db2.gz HJCQRYRENOMAPQ-UKRRQHHQSA-N 2 0 257.381 2.551 20 30 CFEDRP C#CCCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309713595 262005450 /nfs/dbraw/zinc/00/54/50/262005450.db2.gz KZCVPOOMZGGWBF-AEFFLSMTSA-N 2 0 270.420 2.900 20 30 CFEDRP Cc1nccn1CCCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185714294 262067788 /nfs/dbraw/zinc/06/77/88/262067788.db2.gz ONWISQSBPDWGNG-HUUCEWRRSA-N 2 0 260.385 2.644 20 30 CFEDRP C[C@H]([NH2+]CCCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272496949 263005545 /nfs/dbraw/zinc/00/55/45/263005545.db2.gz NLSWJUAGVLBELC-DOTOQJQBSA-N 2 0 271.408 2.790 20 30 CFEDRP C=CCOc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000414814644 263053726 /nfs/dbraw/zinc/05/37/26/263053726.db2.gz ZNDLXPSDPMGUBV-NVXWUHKLSA-N 2 0 274.408 2.859 20 30 CFEDRP C[NH+](C)CCC1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000342755427 263475835 /nfs/dbraw/zinc/47/58/35/263475835.db2.gz QZDDLGYCWGCRAL-UHFFFAOYSA-N 2 0 285.435 2.916 20 30 CFEDRP C=CCC[C@H](CCC)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000360245791 266697760 /nfs/dbraw/zinc/69/77/60/266697760.db2.gz QIJNFOGXARUVND-INIZCTEOSA-N 2 0 282.472 2.946 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000370670712 267337325 /nfs/dbraw/zinc/33/73/25/267337325.db2.gz GMOBMLXXFFITFI-JQHSSLGASA-N 2 0 298.430 2.976 20 30 CFEDRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423343082 278262695 /nfs/dbraw/zinc/26/26/95/278262695.db2.gz NMKIZNVAKPYBOM-BBRMVZONSA-N 2 0 257.381 2.599 20 30 CFEDRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423343088 279488641 /nfs/dbraw/zinc/48/86/41/279488641.db2.gz NMKIZNVAKPYBOM-XJKSGUPXSA-N 2 0 257.381 2.599 20 30 CFEDRP CC[N@H+](C)C[C@H]1CCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000249283482 281054602 /nfs/dbraw/zinc/05/46/02/281054602.db2.gz OJUXRAISJUTUEQ-GDBMZVCRSA-N 2 0 271.408 2.893 20 30 CFEDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000336224630 289308797 /nfs/dbraw/zinc/30/87/97/289308797.db2.gz SPAFYIWMZOMNQK-PWUWZPNHSA-N 2 0 263.429 2.921 20 30 CFEDRP C[C@H]([NH2+]C(C)(C)C[NH+]=C(N(C)C)N(C)C)c1ccccc1 ZINC000262550661 328150680 /nfs/dbraw/zinc/15/06/80/328150680.db2.gz YBLZLAQHYMFVHG-AWEZNQCLSA-N 2 0 290.455 2.595 20 30 CFEDRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000177681796 323700869 /nfs/dbraw/zinc/70/08/69/323700869.db2.gz BVMQZQZGZQWUFV-UHFFFAOYSA-N 2 0 285.416 2.971 20 30 CFEDRP CC(C)(C#N)CCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000377935893 329035313 /nfs/dbraw/zinc/03/53/13/329035313.db2.gz AWPSAGQJFBNFEP-OWCLPIDISA-N 2 0 275.440 2.732 20 30 CFEDRP C=C(C)CN1CCC([NH2+][C@H]2C[C@@H](OCC)C23CCC3)CC1 ZINC000181717733 329236102 /nfs/dbraw/zinc/23/61/02/329236102.db2.gz HPJUKOUYNXAFJG-DLBZAZTESA-N 2 0 292.467 2.964 20 30 CFEDRP C[C@@H](CC[NH2+][C@@H]1CCC[C@H](C#N)C1)[NH+]1CCCCC1 ZINC000185897895 329334579 /nfs/dbraw/zinc/33/45/79/329334579.db2.gz KZMWCLFREZXVLM-HRCADAONSA-N 2 0 263.429 2.923 20 30 CFEDRP C=CCOc1ccccc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422911666 330160064 /nfs/dbraw/zinc/16/00/64/330160064.db2.gz UDGBDAXPPRNJHN-UHFFFAOYSA-N 2 0 274.408 2.859 20 30 CFEDRP C=C(C)C[NH+]1CCC(N[C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000422982754 330162667 /nfs/dbraw/zinc/16/26/67/330162667.db2.gz XUYZDLRDNNAKBB-WMZOPIPTSA-N 2 0 293.499 2.927 20 30 CFEDRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)CC#N ZINC000423172258 330174483 /nfs/dbraw/zinc/17/44/83/330174483.db2.gz SAILOWQUXMBXRX-KBPBESRZSA-N 2 0 251.418 2.827 20 30 CFEDRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)CC#N ZINC000423172260 330174486 /nfs/dbraw/zinc/17/44/86/330174486.db2.gz SAILOWQUXMBXRX-UONOGXRCSA-N 2 0 251.418 2.827 20 30 CFEDRP C#C[C@@H](C)[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000491651500 332264910 /nfs/dbraw/zinc/26/49/10/332264910.db2.gz HFTBMKUQBDGOEO-MRXNPFEDSA-N 2 0 299.462 2.671 20 30 CFEDRP C#CCCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248415795 334300783 /nfs/dbraw/zinc/30/07/83/334300783.db2.gz OPMMPLKHYJDATM-IPMKNSEASA-N 2 0 282.431 2.900 20 30 CFEDRP C=CCOc1ccccc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000347129911 526931366 /nfs/dbraw/zinc/93/13/66/526931366.db2.gz QDBAULLPRZGSTE-HUUCEWRRSA-N 2 0 274.408 2.811 20 30 CFEDRP C#CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000742375580 574279275 /nfs/dbraw/zinc/27/92/75/574279275.db2.gz RSBLDWIBISAKDQ-WBVHZDCISA-N 2 0 286.419 2.661 20 30 CFEDRP C(#Cc1ccccc1)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000894067269 618303816 /nfs/dbraw/zinc/30/38/16/618303816.db2.gz JSLKXDZOZBKNGM-UHFFFAOYSA-N 2 0 268.404 2.502 20 30 CFEDRP C=CC[C@H](CO)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925696070 618948147 /nfs/dbraw/zinc/94/81/47/618948147.db2.gz JDOCOJHOPBGQLL-ZBFHGGJFSA-N 2 0 276.424 2.583 20 30 CFEDRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCc2ccc(C#N)cc2)C1 ZINC000925713677 618968249 /nfs/dbraw/zinc/96/82/49/618968249.db2.gz MOXPMQSCYJBTMM-HZPDHXFCSA-N 2 0 271.408 2.596 20 30 CFEDRP CCC1([NH3+])CCN([C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000925757414 619067109 /nfs/dbraw/zinc/06/71/09/619067109.db2.gz GUMKFRPKGNJEIE-GFCCVEGCSA-N 2 0 275.371 2.962 20 30 CFEDRP CCC1([NH3+])CCN([C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000925757416 619067160 /nfs/dbraw/zinc/06/71/60/619067160.db2.gz GUMKFRPKGNJEIE-LBPRGKRZSA-N 2 0 275.371 2.962 20 30 CFEDRP C=CCC[C@@H](CCC)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925783416 619107448 /nfs/dbraw/zinc/10/74/48/619107448.db2.gz NXPYNKLDIUINCZ-CHWSQXEVSA-N 2 0 260.372 2.956 20 30 CFEDRP C=CCC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000925783970 619108924 /nfs/dbraw/zinc/10/89/24/619108924.db2.gz QFJNOEWWANEMQN-OLZOCXBDSA-N 2 0 258.356 2.566 20 30 CFEDRP C=CCC[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000925783972 619108986 /nfs/dbraw/zinc/10/89/86/619108986.db2.gz QFJNOEWWANEMQN-STQMWFEESA-N 2 0 258.356 2.566 20 30 CFEDRP CC[NH+]1CCC([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000236858003 619201001 /nfs/dbraw/zinc/20/10/01/619201001.db2.gz XWTYSPKNKGOXON-CQSZACIVSA-N 2 0 287.407 2.551 20 30 CFEDRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1C#N ZINC000926961467 620432310 /nfs/dbraw/zinc/43/23/10/620432310.db2.gz JJGFDAXYQJQYQZ-RCCFBDPRSA-N 2 0 283.419 2.829 20 30 CFEDRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc(CC#N)cc2)C1 ZINC000902392751 621063176 /nfs/dbraw/zinc/06/31/76/621063176.db2.gz LMTAKDAJRALYPE-MRXNPFEDSA-N 2 0 271.408 2.620 20 30 CFEDRP CC1(C)C[NH2+]C[C@@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000902450144 621091213 /nfs/dbraw/zinc/09/12/13/621091213.db2.gz RHYNYFAHALTPFX-HFCFLWKCSA-N 2 0 297.446 2.978 20 30 CFEDRP CC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)c1cccc(C#N)c1 ZINC000902780729 621172182 /nfs/dbraw/zinc/17/21/82/621172182.db2.gz QSOWPVAXWJKUKY-CZUORRHYSA-N 2 0 259.397 2.939 20 30 CFEDRP CC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccc(C#N)c1 ZINC000902780730 621172206 /nfs/dbraw/zinc/17/22/06/621172206.db2.gz QSOWPVAXWJKUKY-XJKSGUPXSA-N 2 0 259.397 2.939 20 30 CFEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903166811 621278474 /nfs/dbraw/zinc/27/84/74/621278474.db2.gz DESCZRCHLAWXRO-LRVKYRPXSA-N 2 0 290.451 2.715 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000903424698 621379834 /nfs/dbraw/zinc/37/98/34/621379834.db2.gz BYJQPBUFLBIQCJ-QGZVFWFLSA-N 2 0 273.424 2.980 20 30 CFEDRP C[NH2+]CCC1CC[NH+](Cc2c(C)cc(C#N)cc2C)CC1 ZINC000903447402 621385148 /nfs/dbraw/zinc/38/51/48/621385148.db2.gz QWQGYRPYUBEFHY-UHFFFAOYSA-N 2 0 285.435 2.997 20 30 CFEDRP N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000903450315 621386373 /nfs/dbraw/zinc/38/63/73/621386373.db2.gz UCISFRVOQOFXOI-LBPRGKRZSA-N 2 0 277.799 2.772 20 30 CFEDRP N#CC1CCC(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000903453841 621387242 /nfs/dbraw/zinc/38/72/42/621387242.db2.gz NLNWWTGRBIVMEZ-SJJHQCBESA-N 2 0 275.440 2.638 20 30 CFEDRP N#CC1CCC(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)CC1 ZINC000903454081 621388016 /nfs/dbraw/zinc/38/80/16/621388016.db2.gz UKSJWCSWWDFVFW-GQGLESIBSA-N 2 0 275.440 2.780 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000903454863 621388205 /nfs/dbraw/zinc/38/82/05/621388205.db2.gz LMBHLLBJTABZMY-MRXNPFEDSA-N 2 0 271.408 2.653 20 30 CFEDRP C[N@H+](CCCCC1(C#N)CCC1)CC(C)(C)C[NH3+] ZINC000903716994 621424665 /nfs/dbraw/zinc/42/46/65/621424665.db2.gz FXSLRTKOPDDBAJ-UHFFFAOYSA-N 2 0 251.418 2.767 20 30 CFEDRP N#CC1(CCCC[NH+]2CCC(OCCC[NH3+])CC2)CCC1 ZINC000903717302 621424793 /nfs/dbraw/zinc/42/47/93/621424793.db2.gz MTJRJNXYBBFXAN-UHFFFAOYSA-N 2 0 293.455 2.680 20 30 CFEDRP C[C@H]1CC[N@H+](CCCCC2(C#N)CCC2)C[C@H]1C[NH3+] ZINC000903757363 621438511 /nfs/dbraw/zinc/43/85/11/621438511.db2.gz CTIJXGJACZVUCV-LSDHHAIUSA-N 2 0 263.429 2.767 20 30 CFEDRP C[NH2+]C[C@@H]1CCCCN1CCCCC1(C#N)CCC1 ZINC000903786427 621441790 /nfs/dbraw/zinc/44/17/90/621441790.db2.gz IOQAAQWVYGVTED-HNNXBMFYSA-N 2 0 263.429 2.924 20 30 CFEDRP C[C@H]1C[C@@H](C[NH2+]C(C)(C)Cc2ccc(C#N)cc2)CC[NH2+]1 ZINC000903987558 621499590 /nfs/dbraw/zinc/49/95/90/621499590.db2.gz GVIGWCOADZRXOH-YOEHRIQHSA-N 2 0 285.435 2.857 20 30 CFEDRP C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904410911 621591676 /nfs/dbraw/zinc/59/16/76/621591676.db2.gz HLKQIZXOISPDOZ-GJZGRUSLSA-N 2 0 274.408 2.668 20 30 CFEDRP C=CCOc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000904412309 621593283 /nfs/dbraw/zinc/59/32/83/621593283.db2.gz RWTQSKYFFXNWBC-ZBFHGGJFSA-N 2 0 274.408 2.668 20 30 CFEDRP C#CCN(C)CCC[NH2+]C/C(C)=C/c1ccccc1 ZINC000820846366 622773247 /nfs/dbraw/zinc/77/32/47/622773247.db2.gz FQNOXXHZBQPRTF-JQIJEIRASA-N 2 0 256.393 2.635 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000157652467 623044195 /nfs/dbraw/zinc/04/41/95/623044195.db2.gz FJMUWJRUXQCEHG-IJEWVQPXSA-N 2 0 287.407 2.722 20 30 CFEDRP C[C@H](CC(C)(C)C#N)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000925440374 624356352 /nfs/dbraw/zinc/35/63/52/624356352.db2.gz RBYICRZXOLIBLO-PMPSAXMXSA-N 2 0 295.471 2.794 20 30 CFEDRP C#CC(C)(C)[NH+](C)Cc1cncc(C[N@@H+](C)C(C)(C)C#C)c1 ZINC000829243314 624407011 /nfs/dbraw/zinc/40/70/11/624407011.db2.gz AYZLQDIXOUYPOK-UHFFFAOYSA-N 2 0 297.446 2.769 20 30 CFEDRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1csc(C#N)c1 ZINC000922160604 626221811 /nfs/dbraw/zinc/22/18/11/626221811.db2.gz WYVUTNMLCFOPPW-UHFFFAOYSA-N 2 0 265.426 2.830 20 30 CFEDRP Cc1ccc(C[NH2+]Cc2cnccc2N(C)C)cc1C#N ZINC000922759580 626359931 /nfs/dbraw/zinc/35/99/31/626359931.db2.gz QZLUMEBKVCFJCA-UHFFFAOYSA-N 2 0 280.375 2.618 20 30 CFEDRP C#Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000809582599 626541106 /nfs/dbraw/zinc/54/11/06/626541106.db2.gz ZELIBPCRGINTIY-CRAIPNDOSA-N 2 0 270.420 2.973 20 30 CFEDRP C#CCCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000766894947 627225258 /nfs/dbraw/zinc/22/52/58/627225258.db2.gz HNXLINPLRGYUIW-QGZVFWFLSA-N 2 0 262.441 2.988 20 30 CFEDRP C#CCCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000766905354 627226219 /nfs/dbraw/zinc/22/62/19/627226219.db2.gz GZIOLTBPRCERNO-IRXDYDNUSA-N 2 0 262.441 2.986 20 30 CFEDRP C=CCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000772856805 627751401 /nfs/dbraw/zinc/75/14/01/627751401.db2.gz RMZWHKBPGDEXEJ-ZWKOTPCHSA-N 2 0 288.435 2.740 20 30 CFEDRP C=CCCCCC[C@@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000793522931 629560942 /nfs/dbraw/zinc/56/09/42/629560942.db2.gz BZEGQCIPBZPKGI-SJORKVTESA-N 2 0 281.488 2.737 20 30 CFEDRP C=CCCCCC[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000793532097 629563603 /nfs/dbraw/zinc/56/36/03/629563603.db2.gz FJYAUUNRASWYFP-OAHLLOKOSA-N 2 0 268.445 2.558 20 30 CFEDRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1C#N ZINC000796836680 629976335 /nfs/dbraw/zinc/97/63/35/629976335.db2.gz KKHCFTYJEUVPDQ-GVDBMIGSSA-N 2 0 299.418 2.529 20 30 CFEDRP C#Cc1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)cc1 ZINC000809603389 631243968 /nfs/dbraw/zinc/24/39/68/631243968.db2.gz OEOIACROBYRGGD-UHFFFAOYSA-N 2 0 270.420 2.880 20 30 CFEDRP C#Cc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1 ZINC000811513418 631575770 /nfs/dbraw/zinc/57/57/70/631575770.db2.gz HWGXTXACKFZOJI-UHFFFAOYSA-N 2 0 288.460 2.585 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000844923507 632338173 /nfs/dbraw/zinc/33/81/73/632338173.db2.gz GZMXBQDBKQKFDX-HNNXBMFYSA-N 2 0 286.419 2.739 20 30 CFEDRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(OCC#N)cc1 ZINC000817919344 632734578 /nfs/dbraw/zinc/73/45/78/632734578.db2.gz QORABBQGUHKPCA-UONOGXRCSA-N 2 0 275.396 2.757 20 30 CFEDRP C=CCCCCCCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000817931489 632739769 /nfs/dbraw/zinc/73/97/69/632739769.db2.gz KOTQSXORWYYDIF-OWCLPIDISA-N 2 0 268.445 2.855 20 30 CFEDRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cccc(C#N)c1 ZINC000817947690 632749194 /nfs/dbraw/zinc/74/91/94/632749194.db2.gz FRTXNQSMKXURGK-AWEZNQCLSA-N 2 0 279.387 2.910 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(OCC#N)cc1 ZINC000817987541 632781845 /nfs/dbraw/zinc/78/18/45/632781845.db2.gz UFAXJOKRALFUFY-QSPRXWTASA-N 2 0 299.418 2.628 20 30 CFEDRP CC[N@H+](CCOCCC#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000859998159 636758502 /nfs/dbraw/zinc/75/85/02/636758502.db2.gz XVBPRBKZGADRQI-UHFFFAOYSA-N 2 0 289.423 2.500 20 30 CFEDRP C=CC[C@@H]1CC[N@@H+](Cc2ncc(CN(C)C)s2)C1 ZINC000862439948 637378794 /nfs/dbraw/zinc/37/87/94/637378794.db2.gz CEIOHRFKJFXXRK-GFCCVEGCSA-N 2 0 265.426 2.603 20 30 CFEDRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000866707170 638868798 /nfs/dbraw/zinc/86/87/98/638868798.db2.gz MNVNZQUWAMPYCX-QGZVFWFLSA-N 2 0 271.408 2.755 20 30 CFEDRP C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000872139330 641666882 /nfs/dbraw/zinc/66/68/82/641666882.db2.gz JHPMZYZGCGXNML-SMLCLMEVSA-N 2 0 260.425 2.641 20 30 CFEDRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(OCC#N)cc1 ZINC000873240330 642090682 /nfs/dbraw/zinc/09/06/82/642090682.db2.gz OESZGTGSIDKPGW-IIAWOOMASA-N 2 0 287.407 2.757 20 30 CFEDRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(OCC#N)cc1 ZINC000873240329 642090718 /nfs/dbraw/zinc/09/07/18/642090718.db2.gz OESZGTGSIDKPGW-DZKIICNBSA-N 2 0 287.407 2.757 20 30 CFEDRP N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000873250055 642096548 /nfs/dbraw/zinc/09/65/48/642096548.db2.gz CVCQUEQIRHGVKL-YKWFXXNDSA-N 2 0 283.419 2.717 20 30 CFEDRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000873267889 642110200 /nfs/dbraw/zinc/11/02/00/642110200.db2.gz LLUKUTKVGPUXHW-VXGBXAGGSA-N 2 0 275.371 2.736 20 30 CFEDRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1cccc(C#N)c1 ZINC000873270208 642111761 /nfs/dbraw/zinc/11/17/61/642111761.db2.gz YUSOMWMLAKFEFL-CHWSQXEVSA-N 2 0 257.381 2.597 20 30 CFEDRP CC[C@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000873269087 642111772 /nfs/dbraw/zinc/11/17/72/642111772.db2.gz LTNYHKFQRPNQNS-DYVFJYSZSA-N 2 0 271.408 2.987 20 30 CFEDRP C#CCCCCCC[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000877584829 643380274 /nfs/dbraw/zinc/38/02/74/643380274.db2.gz JHUSOCUMPIXKEO-INIZCTEOSA-N 2 0 250.430 2.892 20 30 CFEDRP C#CCCCCCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000877642603 643426678 /nfs/dbraw/zinc/42/66/78/643426678.db2.gz OFKMKIJTRGWSNA-QGZVFWFLSA-N 2 0 280.456 2.613 20 30 CFEDRP C[NH+]1CCC(C[NH2+][C@@H]2CC[C@H](C#N)C2)(c2ccccc2)CC1 ZINC000877718656 643482039 /nfs/dbraw/zinc/48/20/39/643482039.db2.gz OGLSIQGZMVXJKY-FUHWJXTLSA-N 2 0 297.446 2.932 20 30 CFEDRP C=C(Br)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000878743269 644012902 /nfs/dbraw/zinc/01/29/02/644012902.db2.gz CTAZIVKYKYMGSF-UHFFFAOYSA-N 2 0 296.212 2.502 20 30 CFEDRP C#CCCCCC[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258147 644616260 /nfs/dbraw/zinc/61/62/60/644616260.db2.gz DGPCKECBCCGQER-MRXNPFEDSA-N 2 0 271.408 2.786 20 30 CFEDRP C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCN1c1cc[nH+]cc1 ZINC000880259593 644617767 /nfs/dbraw/zinc/61/77/67/644617767.db2.gz WUMYEFDTSYZJIC-HNNXBMFYSA-N 2 0 292.386 2.664 20 30 CFEDRP CC[C@@H](C)c1ccc(NC(=[NH2+])NCCC[NH+](C)C)cc1 ZINC000303696063 650998304 /nfs/dbraw/zinc/99/83/04/650998304.db2.gz DWADJFYHJYDRFA-CYBMUJFWSA-N 2 0 276.428 2.878 20 30 CFEDRP CC(C)[C@H](CNC(=[NH2+])NCC1CCC1)[NH+]1CCCCCC1 ZINC000303793537 651002860 /nfs/dbraw/zinc/00/28/60/651002860.db2.gz ZMZAYAFNPIHHIY-INIZCTEOSA-N 2 0 294.487 2.591 20 30 CFEDRP CCc1cccc(NC(=[NH2+])NCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000303879558 651005547 /nfs/dbraw/zinc/00/55/47/651005547.db2.gz GQMRYEXDYRDKQR-AWEZNQCLSA-N 2 0 288.439 2.708 20 30 CFEDRP C[C@@H]1CCCN(C(=[NH2+])NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000303883652 651006331 /nfs/dbraw/zinc/00/63/31/651006331.db2.gz IRWKDGOFYUBFIH-HZPDHXFCSA-N 2 0 294.487 2.688 20 30 CFEDRP C[NH+](C)[C@H](CNC(=[NH2+])NC1CCCCC1)C1CCCCC1 ZINC000303889541 651006561 /nfs/dbraw/zinc/00/65/61/651006561.db2.gz LZVPRDNHGISTBV-MRXNPFEDSA-N 2 0 294.487 2.734 20 30 CFEDRP Cc1cccc(NC(=[NH2+])NC[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000303891179 651006675 /nfs/dbraw/zinc/00/66/75/651006675.db2.gz QKNRYBVDRMSQLC-OAHLLOKOSA-N 2 0 288.439 2.842 20 30 CFEDRP C=CCC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@H]1CCCO1 ZINC000883163824 645633406 /nfs/dbraw/zinc/63/34/06/645633406.db2.gz MHKZQVQQEKQUPY-HUUCEWRRSA-N 2 0 268.445 2.678 20 30 CFEDRP CCc1ccc(NC(=[NH2+])NCC[N@H+](C)C2CCCC2)cc1 ZINC000304760825 651033462 /nfs/dbraw/zinc/03/34/62/651033462.db2.gz SXEGZKMKWRUORG-UHFFFAOYSA-N 2 0 288.439 2.850 20 30 CFEDRP C=CCOCC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886588472 647056485 /nfs/dbraw/zinc/05/64/85/647056485.db2.gz SDINFCFLSRKBTA-UHFFFAOYSA-N 2 0 266.429 2.576 20 30 CFEDRP C=CCOCCC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886638688 647082711 /nfs/dbraw/zinc/08/27/11/647082711.db2.gz ZVFJRWBALMVEFV-UHFFFAOYSA-N 2 0 280.456 2.966 20 30 CFEDRP Cc1cccc(NC(=[NH2+])NCC[NH+](C(C)C)C(C)C)c1 ZINC000104153825 647552087 /nfs/dbraw/zinc/55/20/87/647552087.db2.gz WYCKDXIYEOUVAF-UHFFFAOYSA-N 2 0 276.428 2.840 20 30 CFEDRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000104167074 647552681 /nfs/dbraw/zinc/55/26/81/647552681.db2.gz UHZWOWNHCOGNKV-CQSZACIVSA-N 2 0 276.428 2.760 20 30 CFEDRP Cc1cccc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000104176335 647554362 /nfs/dbraw/zinc/55/43/62/647554362.db2.gz NRPWLKSGFXAEQJ-OAHLLOKOSA-N 2 0 288.439 2.844 20 30 CFEDRP C=CCC[C@@H](C1CC1)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925749245 648307845 /nfs/dbraw/zinc/30/78/45/648307845.db2.gz WEIKFJILSFNBJX-ZDUSSCGKSA-N 2 0 277.437 2.705 20 30 CFEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926524776 648519621 /nfs/dbraw/zinc/51/96/21/648519621.db2.gz GLJXLMZHGTYWHL-XYPHTWIQSA-N 2 0 274.408 2.742 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000930560130 649274130 /nfs/dbraw/zinc/27/41/30/649274130.db2.gz ZUHVRNPCQRYWNM-SFHVURJKSA-N 2 0 283.419 2.703 20 30 CFEDRP C[C@H](c1ccc(C#N)cc1)N1CCc2[nH+]ccc(N)c2C1 ZINC000931513264 649444837 /nfs/dbraw/zinc/44/48/37/649444837.db2.gz UAKWFVQKBXOJBR-GFCCVEGCSA-N 2 0 278.359 2.655 20 30 CFEDRP C[C@H]1C[N@H+](CC2CCC(C#N)CC2)CCN1c1cc[nH+]cc1 ZINC000931684773 649471698 /nfs/dbraw/zinc/47/16/98/649471698.db2.gz VEQOTLNBZAZIEM-GTPINHCMSA-N 2 0 298.434 2.922 20 30 CFEDRP C[N@@H+]1C[C@@H]2C[NH+](CCCCC3(C#N)CCC3)C[C@]2(C)C1 ZINC000933734012 649718511 /nfs/dbraw/zinc/71/85/11/649718511.db2.gz ZMVFLCFYCGZMIW-CVEARBPZSA-N 2 0 275.440 2.734 20 30 CFEDRP C[C@@H](CNC(=[NH2+])NC1CCCCCC1)[N@@H+]1CCCC[C@@H]1C ZINC000305750603 651074551 /nfs/dbraw/zinc/07/45/51/651074551.db2.gz ZOYBNXBLAIJAAX-GJZGRUSLSA-N 2 0 294.487 2.876 20 30 CFEDRP C[C@@H](CNC(=[NH2+])NC1CCCCCC1)C[NH+]1CCCCC1 ZINC000305747761 651074865 /nfs/dbraw/zinc/07/48/65/651074865.db2.gz TVZAUMNNJXTRAS-HNNXBMFYSA-N 2 0 294.487 2.736 20 30 CFEDRP C=C(C)[C@@H]1CC=C(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CC1 ZINC001208178576 769892340 /nfs/dbraw/zinc/89/23/40/769892340.db2.gz RUYGFGFARMHRSI-ZACQAIPSSA-N 2 0 260.425 2.782 20 30 CFEDRP CC(C)[C@H](C#N)c1ccc(NC(=[NH2+])SCC[NH3+])cc1 ZINC001167913533 775662754 /nfs/dbraw/zinc/66/27/54/775662754.db2.gz ZEPFUTPCRZYZAV-ZDUSSCGKSA-N 2 0 276.409 2.988 20 30 CFEDRP C[NH+](C)CCCC(C)(C)[NH2+]CC#Cc1ccccc1 ZINC000395704268 775856997 /nfs/dbraw/zinc/85/69/97/775856997.db2.gz CIBPEUVNDFXNLG-UHFFFAOYSA-N 2 0 258.409 2.748 20 30 CFEDRP C#C[C@@H]1CCC[N@@H+]([C@H](C)CCC[NH+](CC)CC)C1 ZINC001167837183 776587105 /nfs/dbraw/zinc/58/71/05/776587105.db2.gz JANFTSOJNBAZLI-HZPDHXFCSA-N 2 0 250.430 2.842 20 30 CFEDRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H](C#N)C1 ZINC001167838888 776590603 /nfs/dbraw/zinc/59/06/03/776590603.db2.gz XAZIFHJGQCLDIX-HUUCEWRRSA-N 2 0 251.418 2.732 20 30 CFEDRP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cccc(C#N)n1 ZINC001232925689 777722524 /nfs/dbraw/zinc/72/25/24/777722524.db2.gz KVKIIHKTYZJYGU-ROUUACIJSA-N 2 0 298.434 2.792 20 30 CFEDRP Cc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(C#N)c1 ZINC001232967437 777743004 /nfs/dbraw/zinc/74/30/04/777743004.db2.gz MJYZGWLPTIFIPP-UHFFFAOYSA-N 2 0 283.419 2.784 20 30 CFEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@@]3(CNCCO3)C2)CC1 ZINC001235113315 778386432 /nfs/dbraw/zinc/38/64/32/778386432.db2.gz CFRDHHJZQFBOSS-QZTJIDSGSA-N 2 0 290.451 2.743 20 30 CFEDRP N#Cc1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235231568 778422666 /nfs/dbraw/zinc/42/26/66/778422666.db2.gz UCFNFACWIGLFNA-GOSISDBHSA-N 2 0 283.419 2.912 20 30 CFEDRP N#Cc1ccc(CC[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235233398 778424310 /nfs/dbraw/zinc/42/43/10/778424310.db2.gz POSYJQMUHOJZLN-IBGZPJMESA-N 2 0 297.446 2.955 20 30 CFEDRP CCc1cc(C#N)ccc1C[N@H+](C)CCC1CC[NH2+]CC1 ZINC001235717554 778547071 /nfs/dbraw/zinc/54/70/71/778547071.db2.gz JUBOGNDLLIBMBU-UHFFFAOYSA-N 2 0 285.435 2.942 20 30 CFEDRP C[NH+](C)CC1CC[NH+](Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238193440 779276234 /nfs/dbraw/zinc/27/62/34/779276234.db2.gz DEBPPTMQWKSHRK-UHFFFAOYSA-N 2 0 291.826 2.985 20 30 CFEDRP C[NH+](C)Cc1ccccc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240345294 780097090 /nfs/dbraw/zinc/09/70/90/780097090.db2.gz FGUOQFOFLOZTBP-UHFFFAOYSA-N 2 0 291.398 2.974 20 30 CFEDRP C=CC[C@H]1CC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000703626004 781040657 /nfs/dbraw/zinc/04/06/57/781040657.db2.gz YGTFQEIACVCCIW-LBPRGKRZSA-N 2 0 262.422 2.792 20 30 CFEDRP N#Cc1cncc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)c1 ZINC001242275232 781358294 /nfs/dbraw/zinc/35/82/94/781358294.db2.gz WVOSWIIWRCEVBV-UHFFFAOYSA-N 2 0 292.386 2.543 20 30 CFEDRP CCCCCCC[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166626642 781779389 /nfs/dbraw/zinc/77/93/89/781779389.db2.gz IJMHILBHBMUOQF-INIZCTEOSA-N 2 0 297.487 2.537 20 30 CFEDRP CC(C)[NH+]1CCC([NH2+]CCc2ccc(C#N)cc2)CC1 ZINC000595059686 349570661 /nfs/dbraw/zinc/57/06/61/349570661.db2.gz HKSPYDJZLRKNMR-UHFFFAOYSA-N 2 0 271.408 2.563 20 30 CFEDRP Cc1cc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)ccc1C#N ZINC000595504640 349644171 /nfs/dbraw/zinc/64/41/71/349644171.db2.gz KWUXPGNAWYQDFV-SFHVURJKSA-N 2 0 283.419 2.784 20 30 CFEDRP CC[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000423534588 529595119 /nfs/dbraw/zinc/59/51/19/529595119.db2.gz AJLYTAJACQWPHF-KRWDZBQOSA-N 2 0 269.392 2.909 20 30 CFEDRP CC[C@H]([NH2+]CCc1cccc(C#N)c1)[C@@H]1CCCC[NH2+]1 ZINC000423112025 529606886 /nfs/dbraw/zinc/60/68/86/529606886.db2.gz XDWJDXNAZQJOKU-IRXDYDNUSA-N 2 0 271.408 2.611 20 30 CFEDRP N#Cc1ccc(CN2CCC([NH3+])CC2)c(C(F)(F)F)c1 ZINC000595892340 349762699 /nfs/dbraw/zinc/76/26/99/349762699.db2.gz MFTJPBKZUWZMMK-UHFFFAOYSA-N 2 0 283.297 2.500 20 30 CFEDRP C=CCCSCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000596650153 349968917 /nfs/dbraw/zinc/96/89/17/349968917.db2.gz IFKJBDMGKKJZSW-HOCLYGCPSA-N 2 0 278.465 2.844 20 30 CFEDRP C[NH+](C)CCC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000056524730 346611034 /nfs/dbraw/zinc/61/10/34/346611034.db2.gz UEABXGZOOPUITJ-UHFFFAOYSA-N 2 0 289.398 2.861 20 30 CFEDRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404109385 232687651 /nfs/dbraw/zinc/68/76/51/232687651.db2.gz AAIWFYVSGFMBJT-UHFFFAOYSA-N 2 0 277.387 2.907 20 30 CFEDRP C[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)[C@H]1CC[NH3+] ZINC000404303789 348590506 /nfs/dbraw/zinc/59/05/06/348590506.db2.gz CGHFPNPFUFQMRP-CJNGLKHVSA-N 2 0 257.381 2.508 20 30 CFEDRP C[C@H]([NH2+]CC(C)(C)CCC#N)C1CC[NH+](C)CC1 ZINC000396473832 348558650 /nfs/dbraw/zinc/55/86/50/348558650.db2.gz ZUHAPXBXSZFMFX-ZDUSSCGKSA-N 2 0 251.418 2.636 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)[C@@H]2CCC[C@@H]21 ZINC000586789986 348752994 /nfs/dbraw/zinc/75/29/94/348752994.db2.gz WJMKHVCHIHXQTQ-XIRDDKMYSA-N 2 0 287.382 2.660 20 30 CFEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000591728108 349040355 /nfs/dbraw/zinc/04/03/55/349040355.db2.gz YBYVONJLXGNBIC-BRWVUGGUSA-N 2 0 290.455 2.778 20 30 CFEDRP CC[C@@H](NC[C@@H]1CCCC[NH2+]1)c1ccc(C#N)cc1 ZINC000591577884 349030611 /nfs/dbraw/zinc/03/06/11/349030611.db2.gz LQOBTTNYISIMGI-JKSUJKDBSA-N 2 0 257.381 2.741 20 30 CFEDRP C[C@@]1(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CCC[NH2+]C1 ZINC000591578179 349031704 /nfs/dbraw/zinc/03/17/04/349031704.db2.gz KJVMAVNXNCVUSJ-ZWKOTPCHSA-N 2 0 283.419 2.915 20 30 CFEDRP CC1(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC[NH2+]CC1 ZINC000591578213 349031925 /nfs/dbraw/zinc/03/19/25/349031925.db2.gz YZLCPLUGMIMNGI-KRWDZBQOSA-N 2 0 283.419 2.915 20 30 CFEDRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591581789 349032743 /nfs/dbraw/zinc/03/27/43/349032743.db2.gz VDHNKKXBCMTIIZ-BLLLJJGKSA-N 2 0 257.381 2.653 20 30 CFEDRP N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000592470945 349126580 /nfs/dbraw/zinc/12/65/80/349126580.db2.gz PEPHALWGYWEPAC-RBSFLKMASA-N 2 0 289.810 2.689 20 30 CFEDRP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000592493397 349128163 /nfs/dbraw/zinc/12/81/63/349128163.db2.gz OPZKWLZEMKBJMK-QZTJIDSGSA-N 2 0 283.419 2.770 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCC1(C[NH3+])CC1 ZINC000593320885 349246566 /nfs/dbraw/zinc/24/65/66/349246566.db2.gz VHKFMLQLLLJMQW-MRXNPFEDSA-N 2 0 269.392 2.654 20 30 CFEDRP C[C@@H]1CC2(C[N@@H+]1Cc1ccccc1C#N)CC[NH2+]CC2 ZINC000598683280 350310237 /nfs/dbraw/zinc/31/02/37/350310237.db2.gz RBUIFQLFVCFEEM-CQSZACIVSA-N 2 0 269.392 2.522 20 30 CFEDRP COCC#CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000677820182 539794642 /nfs/dbraw/zinc/79/46/42/539794642.db2.gz IPPLHSXKNJHBOU-KRWDZBQOSA-N 2 0 292.467 2.613 20 30 CFEDRP COCC#CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000677820183 539795063 /nfs/dbraw/zinc/79/50/63/539795063.db2.gz IPPLHSXKNJHBOU-QGZVFWFLSA-N 2 0 292.467 2.613 20 30 CFEDRP C[N@@H+]1CCCC[C@@H](CNCc2ccc(C#N)c(F)c2)C1 ZINC000598994029 350356766 /nfs/dbraw/zinc/35/67/66/350356766.db2.gz FXBOVSNPJZOMDS-AWEZNQCLSA-N 2 0 275.371 2.519 20 30 CFEDRP CC1(C#N)CCC([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000602020182 350833950 /nfs/dbraw/zinc/83/39/50/350833950.db2.gz KDVHTHQODOIQAC-BBBYJDLNSA-N 2 0 263.429 2.827 20 30 CFEDRP C[C@H](CCC#N)C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000602512429 350911413 /nfs/dbraw/zinc/91/14/13/350911413.db2.gz BEYJXCVFYUJDTK-BZUAXINKSA-N 2 0 265.445 2.884 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](C)CCC#N)C[C@H]1C ZINC000602470802 350894623 /nfs/dbraw/zinc/89/46/23/350894623.db2.gz HWNDCCFQBNKBHO-KFWWJZLASA-N 2 0 251.418 2.731 20 30 CFEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000602704915 350989282 /nfs/dbraw/zinc/98/92/82/350989282.db2.gz HXKRCRAKXONAIM-CABCVRRESA-N 2 0 293.455 2.548 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)C1CC[NH+](C)CC1 ZINC000618807192 352884083 /nfs/dbraw/zinc/88/40/83/352884083.db2.gz SZCYIMTWSNPZRR-SCLBCKFNSA-N 2 0 283.419 2.865 20 30 CFEDRP C=CC(C)(C)CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000623593164 353680665 /nfs/dbraw/zinc/68/06/65/353680665.db2.gz WOJUPKCCQOVWCX-UHFFFAOYSA-N 2 0 270.380 2.959 20 30 CFEDRP C=CCC[C@H](O)C[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062208 354183195 /nfs/dbraw/zinc/18/31/95/354183195.db2.gz LLSVGLIKHNKOEP-SFHVURJKSA-N 2 0 290.451 2.897 20 30 CFEDRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(C#N)s1 ZINC000387284519 324490120 /nfs/dbraw/zinc/49/01/20/324490120.db2.gz GXNDAROTBXZFPT-UHFFFAOYSA-N 2 0 265.426 2.830 20 30 CFEDRP C=CC[C@@H]1CC[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000629550110 354844569 /nfs/dbraw/zinc/84/45/69/354844569.db2.gz MIBRLHIXRORIAV-GDBMZVCRSA-N 2 0 274.408 2.636 20 30 CFEDRP C=CCOc1cccc(C[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000271778800 191320939 /nfs/dbraw/zinc/32/09/39/191320939.db2.gz DHNKLGQUKNDCQV-UHFFFAOYSA-N 2 0 272.392 2.603 20 30 CFEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423248993 283192199 /nfs/dbraw/zinc/19/21/99/283192199.db2.gz OBPZRUGNRZRNQJ-RDTXWAMCSA-N 2 0 283.419 2.915 20 30 CFEDRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc(C#N)c1 ZINC000423484001 238486507 /nfs/dbraw/zinc/48/65/07/238486507.db2.gz QPNZNOGSXSDSIV-BBRMVZONSA-N 2 0 257.381 2.741 20 30 CFEDRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000049554005 373310626 /nfs/dbraw/zinc/31/06/26/373310626.db2.gz OMQVPYZQZKGGJD-KBPBESRZSA-N 2 0 275.396 2.580 20 30 CFEDRP CCc1cccc(NC(=[NH2+])NCCC2CC[NH+](C)CC2)c1 ZINC000264122930 383697655 /nfs/dbraw/zinc/69/76/55/383697655.db2.gz VPKWPQMGFGUHCR-UHFFFAOYSA-N 2 0 288.439 2.708 20 30 CFEDRP C=C(C)[C@@H](CO)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000678049015 541942031 /nfs/dbraw/zinc/94/20/31/541942031.db2.gz AVDKCAFVGWLQGK-QGZVFWFLSA-N 2 0 280.456 2.511 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000081096531 374686224 /nfs/dbraw/zinc/68/62/24/374686224.db2.gz CDSJWBQLWILIMT-PBHICJAKSA-N 2 0 271.408 2.720 20 30 CFEDRP CC(C)(C#N)CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000119704148 376455232 /nfs/dbraw/zinc/45/52/32/376455232.db2.gz OJCJZDYXZIOPQM-UHFFFAOYSA-N 2 0 293.455 2.503 20 30 CFEDRP C=CCOCC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000679578827 542211528 /nfs/dbraw/zinc/21/15/28/542211528.db2.gz ZPPCQQXHBZQVAY-WBVHZDCISA-N 2 0 280.456 2.822 20 30 CFEDRP C[C@@H]1C[C@H](N(C)CC#Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000154292891 378555906 /nfs/dbraw/zinc/55/59/06/378555906.db2.gz JGEUGOUGYQWXLO-RHSMWYFYSA-N 2 0 274.383 2.592 20 30 CFEDRP C[C@@]1(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CCC[NH2+]C1 ZINC000335492863 379395656 /nfs/dbraw/zinc/39/56/56/379395656.db2.gz RXPHDTZORGHQSI-DLBZAZTESA-N 2 0 269.392 2.525 20 30 CFEDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000175012569 379979650 /nfs/dbraw/zinc/97/96/50/379979650.db2.gz DLGFZBMIRXORSE-HZPDHXFCSA-N 2 0 257.381 2.521 20 30 CFEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000335020272 379957998 /nfs/dbraw/zinc/95/79/98/379957998.db2.gz HFMLFHKSGMDLOY-SDEQNOSCSA-N 2 0 287.451 2.812 20 30 CFEDRP CCC[NH+]1CCC(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000176963151 380287859 /nfs/dbraw/zinc/28/78/59/380287859.db2.gz UTCGKXOKUQLAQV-UHFFFAOYSA-N 2 0 277.437 2.831 20 30 CFEDRP C=CC[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181633389 380847878 /nfs/dbraw/zinc/84/78/78/380847878.db2.gz LLGDWMFZXAZUHP-AWEZNQCLSA-N 2 0 291.414 2.804 20 30 CFEDRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000411425205 381027234 /nfs/dbraw/zinc/02/72/34/381027234.db2.gz MCNJQGXDSDXHOX-INIZCTEOSA-N 2 0 295.471 2.749 20 30 CFEDRP COc1ccc(C#N)cc1CN1CCC2(CCC[N@@H+]2C)CC1 ZINC000368615190 381085400 /nfs/dbraw/zinc/08/54/00/381085400.db2.gz TVZQLTFPVGUAGM-UHFFFAOYSA-N 2 0 299.418 2.627 20 30 CFEDRP C#Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000290068717 381286359 /nfs/dbraw/zinc/28/63/59/381286359.db2.gz PUBLLAPMJHFLTL-QAPCUYQASA-N 2 0 270.420 2.830 20 30 CFEDRP C=C(C)C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348332395 381512214 /nfs/dbraw/zinc/51/22/14/381512214.db2.gz TXZFZDLNYOFOQS-IAGOWNOFSA-N 2 0 256.393 2.626 20 30 CFEDRP C[C@H](CC[NH2+][C@H]1CCC[C@H](C#N)C1)[NH+]1CCCCC1 ZINC000185897950 381771420 /nfs/dbraw/zinc/77/14/20/381771420.db2.gz KZMWCLFREZXVLM-PMPSAXMXSA-N 2 0 263.429 2.923 20 30 CFEDRP C[N@H+](C[C@H]1CC12CC[NH+](CCCCC#N)CC2)C1CC1 ZINC000362105774 381914017 /nfs/dbraw/zinc/91/40/17/381914017.db2.gz JIVCMBTUJRXDET-OAHLLOKOSA-N 2 0 275.440 2.877 20 30 CFEDRP C=CCOCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000292900779 381894095 /nfs/dbraw/zinc/89/40/95/381894095.db2.gz WAQHABJWNZKVCU-GOSISDBHSA-N 2 0 288.435 2.643 20 30 CFEDRP C#CCC[NH+]1CCN(c2cc[nH+]c3ccc(C)cc32)CC1 ZINC000302145611 382210514 /nfs/dbraw/zinc/21/05/14/382210514.db2.gz HQBZHAJVOCBVIN-UHFFFAOYSA-N 2 0 279.387 2.689 20 30 CFEDRP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000345118918 382285890 /nfs/dbraw/zinc/28/58/90/382285890.db2.gz YMMXZIOQXKOQSV-CQSZACIVSA-N 2 0 271.408 2.893 20 30 CFEDRP C=CCOCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364352146 382313668 /nfs/dbraw/zinc/31/36/68/382313668.db2.gz IYQXDWXBJRTVAE-WMZOPIPTSA-N 2 0 288.435 2.689 20 30 CFEDRP C=CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000358043066 382425148 /nfs/dbraw/zinc/42/51/48/382425148.db2.gz GVBOFVMFCRDREN-HRCADAONSA-N 2 0 268.445 2.678 20 30 CFEDRP C#CCN(C)CCC[NH2+][C@H](C)c1csc(C)c1 ZINC000294141012 382432152 /nfs/dbraw/zinc/43/21/52/382432152.db2.gz GIQLOLQKSKDMPT-CYBMUJFWSA-N 2 0 250.411 2.662 20 30 CFEDRP C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000358304321 382557423 /nfs/dbraw/zinc/55/74/23/382557423.db2.gz RRHHFPXZRAVCQM-KGLIPLIRSA-N 2 0 262.397 2.852 20 30 CFEDRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000193506835 382720600 /nfs/dbraw/zinc/72/06/00/382720600.db2.gz ZACQAOCQFOWQPL-LSDHHAIUSA-N 2 0 299.418 2.724 20 30 CFEDRP C=CCSCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000231930721 382868029 /nfs/dbraw/zinc/86/80/29/382868029.db2.gz WFBNVGALKRXKOH-QLFBSQMISA-N 2 0 268.470 2.806 20 30 CFEDRP CC[N@@H+]1CCC[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000337880697 382872846 /nfs/dbraw/zinc/87/28/46/382872846.db2.gz RIEDOHARASOVHQ-AWEZNQCLSA-N 2 0 251.418 2.638 20 30 CFEDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442640097 382940021 /nfs/dbraw/zinc/94/00/21/382940021.db2.gz AEBKEXNKXRDHPO-RRFJBIMHSA-N 2 0 251.418 2.779 20 30 CFEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000442712412 382947683 /nfs/dbraw/zinc/94/76/83/382947683.db2.gz GJIKRHQWNJLNIG-FZKCQIBNSA-N 2 0 263.429 2.636 20 30 CFEDRP CC(C)[NH+](CCC[NH2+][C@H]1CC[C@@H](C#N)C1)C(C)C ZINC000442797128 382958140 /nfs/dbraw/zinc/95/81/40/382958140.db2.gz VCLYZHFOQOKTLR-CABCVRRESA-N 2 0 251.418 2.777 20 30 CFEDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000442829834 382960117 /nfs/dbraw/zinc/96/01/17/382960117.db2.gz WIJQVUKPVOAYKV-OAGGEKHMSA-N 2 0 263.429 2.636 20 30 CFEDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000442877493 382963047 /nfs/dbraw/zinc/96/30/47/382963047.db2.gz ZNTYNOGOZSZTDI-AKZYDZMLSA-N 2 0 263.429 2.635 20 30 CFEDRP CC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(C#N)cc1 ZINC000423501343 383123481 /nfs/dbraw/zinc/12/34/81/383123481.db2.gz JLBZNZPGEAGTPK-BMFZPTHFSA-N 2 0 257.381 2.726 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)[C@@H]2CCC[C@@H]21 ZINC000564656447 383170826 /nfs/dbraw/zinc/17/08/26/383170826.db2.gz RGLUAMQDTYLTTE-BZSNNMDCSA-N 2 0 283.419 2.715 20 30 CFEDRP Cc1cc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1C#N ZINC000339437087 383197569 /nfs/dbraw/zinc/19/75/69/383197569.db2.gz DIOQOQNIIAJDDE-SFHVURJKSA-N 2 0 283.419 2.784 20 30 CFEDRP C=CCCCC[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000449074009 383161450 /nfs/dbraw/zinc/16/14/50/383161450.db2.gz AXZVMSHZWYULBS-IRXDYDNUSA-N 2 0 281.488 2.737 20 30 CFEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000516174713 383162601 /nfs/dbraw/zinc/16/26/01/383162601.db2.gz QDQSGINDLRTPIP-KKBFJZEXSA-N 2 0 297.402 2.524 20 30 CFEDRP Cc1cc(NC[C@@H](c2ccco2)[NH+]2CCCC2)c(C#N)cn1 ZINC000425201712 383339496 /nfs/dbraw/zinc/33/94/96/383339496.db2.gz OCACKHFTNXFSHU-INIZCTEOSA-N 2 0 296.374 2.526 20 30 CFEDRP C=CC(C)(C)C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000449486649 383326341 /nfs/dbraw/zinc/32/63/41/383326341.db2.gz UBYFEXGIVTUQJV-UHFFFAOYSA-N 2 0 270.380 2.878 20 30 CFEDRP C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000449524202 383353327 /nfs/dbraw/zinc/35/33/27/383353327.db2.gz ZMYBTEWFFGKFLE-RANZSIQMSA-N 2 0 292.467 2.963 20 30 CFEDRP C=CCCC(C)(C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000635021955 383473463 /nfs/dbraw/zinc/47/34/63/383473463.db2.gz QINGPWRCXFXWJD-RRFJBIMHSA-N 2 0 250.430 2.957 20 30 CFEDRP C=CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000570695259 383626594 /nfs/dbraw/zinc/62/65/94/383626594.db2.gz RAWRWMHCYCPTAO-DZGCQCFKSA-N 2 0 260.381 2.563 20 30 CFEDRP C=CCCCCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106442 383874684 /nfs/dbraw/zinc/87/46/84/383874684.db2.gz YRVJQLDEQOIJIW-UHFFFAOYSA-N 2 0 266.429 2.529 20 30 CFEDRP C=C(C)CNC(=[NH2+])NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000267467531 384397083 /nfs/dbraw/zinc/39/70/83/384397083.db2.gz WSMDSTZSEWONHU-AWEZNQCLSA-N 2 0 288.439 2.596 20 30 CFEDRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(OCC#N)cc3)CC[C@@H]21 ZINC000268997968 384708351 /nfs/dbraw/zinc/70/83/51/384708351.db2.gz OCXVAMIBBUERDI-WMZOPIPTSA-N 2 0 299.418 2.505 20 30 CFEDRP C[C@H]([NH2+]CCCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272496955 385553113 /nfs/dbraw/zinc/55/31/13/385553113.db2.gz NLSWJUAGVLBELC-RDJZCZTQSA-N 2 0 271.408 2.790 20 30 CFEDRP C=CCC[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000682436558 542553860 /nfs/dbraw/zinc/55/38/60/542553860.db2.gz OBHMYLOVEMUCGL-UHFFFAOYSA-N 2 0 262.397 2.635 20 30 CFEDRP C=CCCCCC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373916423 393477250 /nfs/dbraw/zinc/47/72/50/393477250.db2.gz DNTBEXZJDDBEBC-KRWDZBQOSA-N 2 0 293.499 2.833 20 30 CFEDRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C#N)cc1 ZINC000251696057 393933077 /nfs/dbraw/zinc/93/30/77/393933077.db2.gz MIXXAZJEXKAFNX-JQFCIGGWSA-N 2 0 269.392 2.836 20 30 CFEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000348208768 393949146 /nfs/dbraw/zinc/94/91/46/393949146.db2.gz ADLDZFDOAPKVHV-MGPQQGTHSA-N 2 0 251.418 2.635 20 30 CFEDRP C[N@H+](CCCC[NH2+]Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000421380955 394211623 /nfs/dbraw/zinc/21/16/23/394211623.db2.gz KVJDAPQWTOLFMR-UHFFFAOYSA-N 2 0 275.371 2.661 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@@H]2CCC[C@@H]21 ZINC000453375193 394392100 /nfs/dbraw/zinc/39/21/00/394392100.db2.gz HWOXZUDHGDRZJK-XIRDDKMYSA-N 2 0 287.382 2.660 20 30 CFEDRP C=CCOc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647789998 395429761 /nfs/dbraw/zinc/42/97/61/395429761.db2.gz PBLUMQBHYMIARO-DJIMGWMZSA-N 2 0 286.419 2.729 20 30 CFEDRP C=CCOc1ccccc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650708875 397861732 /nfs/dbraw/zinc/86/17/32/397861732.db2.gz RRSADEPXEHTVBA-WMZOPIPTSA-N 2 0 286.419 2.812 20 30 CFEDRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000423389300 297110132 /nfs/dbraw/zinc/11/01/32/297110132.db2.gz JHAWCMHCXBTZCD-XWIAVFTESA-N 2 0 283.419 2.913 20 30 CFEDRP C=CC[C@@H]1[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CCCC1(C)C ZINC000660423578 413305409 /nfs/dbraw/zinc/30/54/09/413305409.db2.gz SJYZVIJCWWYHFA-CVEARBPZSA-N 2 0 282.472 2.754 20 30 CFEDRP C=CC[C@H]1[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CCCC1(C)C ZINC000660423583 413307311 /nfs/dbraw/zinc/30/73/11/413307311.db2.gz SJYZVIJCWWYHFA-JKSUJKDBSA-N 2 0 282.472 2.754 20 30 CFEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCCC1)CC2 ZINC000353390489 163357903 /nfs/dbraw/zinc/35/79/03/163357903.db2.gz UWVQTTYNNBBTNR-KRWDZBQOSA-N 2 0 269.392 2.621 20 30 CFEDRP C[C@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)C[NH+]1CCCC1 ZINC000353414625 163360597 /nfs/dbraw/zinc/36/05/97/163360597.db2.gz UAPLLXPIMUJSAV-RDTXWAMCSA-N 2 0 283.419 2.867 20 30 CFEDRP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@@H]1CCC[NH2+]C1 ZINC000422974045 287050469 /nfs/dbraw/zinc/05/04/69/287050469.db2.gz QDVYETMGXUJRIR-WOSRLPQWSA-N 2 0 257.381 2.597 20 30 CFEDRP C=CCC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccco1 ZINC000285520276 196313090 /nfs/dbraw/zinc/31/30/90/196313090.db2.gz BCQVYVYGCGFQPS-JKSUJKDBSA-N 2 0 291.439 2.512 20 30 CFEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000657871669 414018063 /nfs/dbraw/zinc/01/80/63/414018063.db2.gz WJTDAHOJZHLNRR-RCCFBDPRSA-N 2 0 293.499 2.594 20 30 CFEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000657837042 413991719 /nfs/dbraw/zinc/99/17/19/413991719.db2.gz XNZNRAYKQUVDNL-ROUUACIJSA-N 2 0 293.499 2.739 20 30 CFEDRP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCN1CC[NH+](C(C)C)CC1 ZINC000662091455 414403457 /nfs/dbraw/zinc/40/34/57/414403457.db2.gz YMTIKZUAYFCGBM-HDICACEKSA-N 2 0 291.483 2.586 20 30 CFEDRP CC[NH+]1CCC(C[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000044518712 175190986 /nfs/dbraw/zinc/19/09/86/175190986.db2.gz RXVZCYPQGMHARG-UHFFFAOYSA-N 2 0 275.371 2.519 20 30 CFEDRP CC1(C#N)CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000449092282 260210569 /nfs/dbraw/zinc/21/05/69/260210569.db2.gz TYAFLENREHDUCH-PYBGIAKNSA-N 2 0 261.413 2.675 20 30 CFEDRP CN(C)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185792114 262071612 /nfs/dbraw/zinc/07/16/12/262071612.db2.gz DPDOYQUWPUCASG-RCCFBDPRSA-N 2 0 285.435 2.831 20 30 CFEDRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000269445437 262969916 /nfs/dbraw/zinc/96/99/16/262969916.db2.gz ORSMINZXLGVLBO-HNNXBMFYSA-N 2 0 288.439 2.781 20 30 CFEDRP N#C[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000293943486 263152650 /nfs/dbraw/zinc/15/26/50/263152650.db2.gz BFKNTSOSUKNJQD-YRXWBPOGSA-N 2 0 295.430 2.742 20 30 CFEDRP N#C[C@@H]1CCC[C@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000340480536 263167497 /nfs/dbraw/zinc/16/74/97/263167497.db2.gz QSBMPPNABSSJBB-CVEARBPZSA-N 2 0 263.429 2.924 20 30 CFEDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCC#N ZINC000299217064 263235514 /nfs/dbraw/zinc/23/55/14/263235514.db2.gz HKNSCJXTROIIQJ-QLPKVWCKSA-N 2 0 271.408 2.646 20 30 CFEDRP C=CCOc1ccccc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000415054128 263258750 /nfs/dbraw/zinc/25/87/50/263258750.db2.gz FIADWUAJUVPEJW-AWEZNQCLSA-N 2 0 262.397 2.859 20 30 CFEDRP C(#CC[N@@H+]1CCC2(CCC2)C1)C[NH+]1CCC2(CCC2)C1 ZINC000341869857 263360354 /nfs/dbraw/zinc/36/03/54/263360354.db2.gz APKGZLHIGSNWSK-UHFFFAOYSA-N 2 0 272.436 2.742 20 30 CFEDRP C=CCC[C@@H](CCC)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000360245792 266698296 /nfs/dbraw/zinc/69/82/96/266698296.db2.gz QIJNFOGXARUVND-MRXNPFEDSA-N 2 0 282.472 2.946 20 30 CFEDRP C#Cc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000368568916 267187766 /nfs/dbraw/zinc/18/77/66/267187766.db2.gz SWPCGIMOMUMQON-UHFFFAOYSA-N 2 0 268.404 2.728 20 30 CFEDRP C=CCOCC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000370359113 267311528 /nfs/dbraw/zinc/31/15/28/267311528.db2.gz SOLHHXVKSCYTMD-WBVHZDCISA-N 2 0 280.456 2.822 20 30 CFEDRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000423537260 274246924 /nfs/dbraw/zinc/24/69/24/274246924.db2.gz JKCYNXMZNWFCLD-CYBMUJFWSA-N 2 0 255.365 2.519 20 30 CFEDRP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(C#N)cc1 ZINC000423374672 288070436 /nfs/dbraw/zinc/07/04/36/288070436.db2.gz HXGJMMAYQNEJPY-WQVCFCJDSA-N 2 0 257.381 2.739 20 30 CFEDRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc(C#N)c(F)c1 ZINC000423277192 279534032 /nfs/dbraw/zinc/53/40/32/279534032.db2.gz NWDXPEJGZBQBAA-PJODQICGSA-N 2 0 275.371 2.865 20 30 CFEDRP C[NH+](C)C1CCC([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000335491978 289065720 /nfs/dbraw/zinc/06/57/20/289065720.db2.gz QSGRMCPGBQZOPN-UHFFFAOYSA-N 2 0 263.429 2.921 20 30 CFEDRP CC[NH+]1CCC(C[NH2+]Cc2ccc(C#N)c(C)c2)CC1 ZINC000567040398 290434177 /nfs/dbraw/zinc/43/41/77/290434177.db2.gz GGMNTPKCWFPQGU-UHFFFAOYSA-N 2 0 271.408 2.688 20 30 CFEDRP C[C@@H]1C[N@H+](CCCc2cccc(C#N)c2)CCC[C@H]1C[NH3+] ZINC001205985686 782058182 /nfs/dbraw/zinc/05/81/82/782058182.db2.gz ZTDZJXQJBDFDJW-QAPCUYQASA-N 2 0 285.435 2.798 20 30 CFEDRP C=CCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)c1ccccc1 ZINC000571341091 328112658 /nfs/dbraw/zinc/11/26/58/328112658.db2.gz ZQXQJPUUODCWAD-IRXDYDNUSA-N 2 0 276.424 2.596 20 30 CFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000264147168 328157589 /nfs/dbraw/zinc/15/75/89/328157589.db2.gz YBNIDCGBXJQJOP-OAHLLOKOSA-N 2 0 274.412 2.514 20 30 CFEDRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185821181 329329766 /nfs/dbraw/zinc/32/97/66/329329766.db2.gz JUUFYLSGQVULNK-JKSUJKDBSA-N 2 0 263.429 2.780 20 30 CFEDRP N#Cc1cccc(C2([NH2+]C3CCC(C[NH3+])CC3)CC2)c1 ZINC000581067528 325087405 /nfs/dbraw/zinc/08/74/05/325087405.db2.gz SGINEXVNBGOPDU-UHFFFAOYSA-N 2 0 269.392 2.654 20 30 CFEDRP C=C(C)C[NH+]1CCC(NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000177916373 329190448 /nfs/dbraw/zinc/19/04/48/329190448.db2.gz RGGPOAPRLUEENO-UHFFFAOYSA-N 2 0 293.499 2.879 20 30 CFEDRP C=C(C)CN1CCC([NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000181717261 329236111 /nfs/dbraw/zinc/23/61/11/329236111.db2.gz CMUPLYLSCOLOIF-ZACQAIPSSA-N 2 0 292.467 2.820 20 30 CFEDRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185759819 329331354 /nfs/dbraw/zinc/33/13/54/329331354.db2.gz PPNBTWFAUSMTMS-OWCLPIDISA-N 2 0 263.429 2.923 20 30 CFEDRP C=CC[NH+](CC=C)[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])C(C)C ZINC000422828022 330156668 /nfs/dbraw/zinc/15/66/68/330156668.db2.gz FOVZMIPLNOIRHD-OKZBNKHCSA-N 2 0 293.499 2.935 20 30 CFEDRP C=CCOc1ccccc1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422912461 330160176 /nfs/dbraw/zinc/16/01/76/330160176.db2.gz WEGITLGTIQQQEC-GOEBONIOSA-N 2 0 274.408 2.729 20 30 CFEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423096614 330169772 /nfs/dbraw/zinc/16/97/72/330169772.db2.gz PPTXYISWOAZADB-ICUGJSFKSA-N 2 0 292.467 2.868 20 30 CFEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423099781 330170078 /nfs/dbraw/zinc/17/00/78/330170078.db2.gz UHBLZHQWXMCWIZ-ZFVVBOAOSA-N 2 0 272.392 2.702 20 30 CFEDRP C=CCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000423149971 330172918 /nfs/dbraw/zinc/17/29/18/330172918.db2.gz BIBRXDCTFXMKRD-IXDOHACOSA-N 2 0 292.467 2.870 20 30 CFEDRP C=C(C)CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423155579 330173319 /nfs/dbraw/zinc/17/33/19/330173319.db2.gz QUNCBYKNXVHEEV-DOTOQJQBSA-N 2 0 272.392 2.798 20 30 CFEDRP C#CCN(C)CCC[NH2+][C@H](CC)c1cccs1 ZINC000328050114 330290706 /nfs/dbraw/zinc/29/07/06/330290706.db2.gz ZBPRHWILQAAHFD-CYBMUJFWSA-N 2 0 250.411 2.744 20 30 CFEDRP CC1CC[NH+](CCCC[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442717784 330780550 /nfs/dbraw/zinc/78/05/50/330780550.db2.gz OGPJEBNVBZSKLA-HOTGVXAUSA-N 2 0 263.429 2.780 20 30 CFEDRP CC(C)[NH+](CCC[NH2+][C@H]1CC[C@H](C#N)C1)C(C)C ZINC000442797131 330784366 /nfs/dbraw/zinc/78/43/66/330784366.db2.gz VCLYZHFOQOKTLR-GJZGRUSLSA-N 2 0 251.418 2.777 20 30 CFEDRP CC1(C#N)CCC([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000449284554 330911642 /nfs/dbraw/zinc/91/16/42/330911642.db2.gz BFZAEDXRAICZBK-UHFFFAOYSA-N 2 0 275.440 2.923 20 30 CFEDRP C=CC(C)(C)C[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000453307950 331114235 /nfs/dbraw/zinc/11/42/35/331114235.db2.gz MIKORBMFMATAIQ-HOTGVXAUSA-N 2 0 282.472 2.925 20 30 CFEDRP C#C[C@H](CC)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309787085 333049441 /nfs/dbraw/zinc/04/94/41/333049441.db2.gz NIJMCAGQSGIMNH-RYQLBKOJSA-N 2 0 270.420 2.898 20 30 CFEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000521042423 333110450 /nfs/dbraw/zinc/11/04/50/333110450.db2.gz GYFNMBNABCTOGG-CKEIUWERSA-N 2 0 271.408 2.571 20 30 CFEDRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000521227315 333115545 /nfs/dbraw/zinc/11/55/45/333115545.db2.gz CYQYEQOCGFPECY-JKSUJKDBSA-N 2 0 276.428 2.532 20 30 CFEDRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000175012225 335171211 /nfs/dbraw/zinc/17/12/11/335171211.db2.gz GRXXAWWBSLBVGL-KBPBESRZSA-N 2 0 251.418 2.779 20 30 CFEDRP CC#CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000381990518 336079770 /nfs/dbraw/zinc/07/97/70/336079770.db2.gz OYZOTJGHAZQAHK-RTBURBONSA-N 2 0 282.431 2.854 20 30 CFEDRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccc(C#N)c1 ZINC000423264148 533865513 /nfs/dbraw/zinc/86/55/13/533865513.db2.gz YFUYBXKXMUURMP-UONOGXRCSA-N 2 0 257.381 2.599 20 30 CFEDRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000423350291 533890841 /nfs/dbraw/zinc/89/08/41/533890841.db2.gz XGEIIILMICWSNW-LRDDRELGSA-N 2 0 275.371 2.738 20 30 CFEDRP C=CCOc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000347028707 526896143 /nfs/dbraw/zinc/89/61/43/526896143.db2.gz VWBBGONTYHYVFS-SJPCQFCGSA-N 2 0 286.419 2.966 20 30 CFEDRP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423203325 529179290 /nfs/dbraw/zinc/17/92/90/529179290.db2.gz CFDGLCNRNHXNRU-GOEBONIOSA-N 2 0 257.381 2.599 20 30 CFEDRP C#CC[NH+](CC)Cc1ccc(C[N@H+](CC)CC#C)cc1 ZINC000746456883 574149183 /nfs/dbraw/zinc/14/91/83/574149183.db2.gz PQAGEODQVRWWQS-UHFFFAOYSA-N 2 0 268.404 2.597 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925665502 618431967 /nfs/dbraw/zinc/43/19/67/618431967.db2.gz LVNUFIABUGHKCM-JKSUJKDBSA-N 2 0 272.392 2.611 20 30 CFEDRP C=CCN(CC=C)[C@@H](C[NH2+]CC1CC[NH+](C)CC1)C(C)C ZINC000892552366 618629891 /nfs/dbraw/zinc/62/98/91/618629891.db2.gz VQPCEVNUCOTAGN-SFHVURJKSA-N 2 0 293.499 2.616 20 30 CFEDRP C[NH+]1CCC(C[NH2+][C@@H](CCC#N)c2ccccc2)CC1 ZINC000893195062 618876179 /nfs/dbraw/zinc/87/61/79/618876179.db2.gz RDWIMXPEFDRWNM-KRWDZBQOSA-N 2 0 271.408 2.963 20 30 CFEDRP C#CC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccc1 ZINC000893235731 618898620 /nfs/dbraw/zinc/89/86/20/618898620.db2.gz APCGYJCMIXGACE-KRWDZBQOSA-N 2 0 256.393 2.682 20 30 CFEDRP C=CC(C)(C)CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925719604 618977330 /nfs/dbraw/zinc/97/73/30/618977330.db2.gz ASUQTCOYOLPVTP-RDBSUJKOSA-N 2 0 250.430 2.955 20 30 CFEDRP CSc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1C#N ZINC000925771623 619085286 /nfs/dbraw/zinc/08/52/86/619085286.db2.gz CNSBNSFVVNFTQK-SWLSCSKDSA-N 2 0 289.448 2.758 20 30 CFEDRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000925784257 619109372 /nfs/dbraw/zinc/10/93/72/619109372.db2.gz IIPHDLCKHRYEKY-SKDZVZGDSA-N 2 0 283.419 2.771 20 30 CFEDRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1C#N ZINC000925837346 619168607 /nfs/dbraw/zinc/16/86/07/619168607.db2.gz GDFGZURUSTXNLB-RCCFBDPRSA-N 2 0 283.419 2.877 20 30 CFEDRP C=CCC[C@H](C)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887063 619204777 /nfs/dbraw/zinc/20/47/77/619204777.db2.gz QKKUHZRLUQHYEH-BHYGNILZSA-N 2 0 258.409 2.990 20 30 CFEDRP C#C[C@@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)C(C)C ZINC000894387908 619363643 /nfs/dbraw/zinc/36/36/43/619363643.db2.gz XUPAOZNIPMFBAM-MRXNPFEDSA-N 2 0 250.430 2.744 20 30 CFEDRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cccc(C#N)n1 ZINC000895683663 619585981 /nfs/dbraw/zinc/58/59/81/619585981.db2.gz RGONEHPPNHOCLM-UHFFFAOYSA-N 2 0 286.423 2.651 20 30 CFEDRP C=CCC[C@H]([NH2+]CCC[NH+](C)C)[C@]1(C)CCCCO1 ZINC000902720358 621156905 /nfs/dbraw/zinc/15/69/05/621156905.db2.gz IIDFKGFXVOQBBM-HOTGVXAUSA-N 2 0 268.445 2.822 20 30 CFEDRP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1cccc(C#N)c1 ZINC000902752073 621164540 /nfs/dbraw/zinc/16/45/40/621164540.db2.gz GCSXEQKDRVOOAR-RDJZCZTQSA-N 2 0 271.408 2.941 20 30 CFEDRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cc(C#N)ccn1 ZINC000903059944 621237073 /nfs/dbraw/zinc/23/70/73/621237073.db2.gz XSVJTKAZJWBAFC-AWEZNQCLSA-N 2 0 298.434 2.726 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000903425127 621380132 /nfs/dbraw/zinc/38/01/32/621380132.db2.gz TYZPMBZYSUYHMI-GOEBONIOSA-N 2 0 271.408 2.734 20 30 CFEDRP C[N@H+](CC1CCC(C#N)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903446006 621384450 /nfs/dbraw/zinc/38/44/50/621384450.db2.gz QXIFCFWTCWXBTM-OZEOOWDWSA-N 2 0 261.413 2.531 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000903447549 621385175 /nfs/dbraw/zinc/38/51/75/621385175.db2.gz XDALDBYOVGLFEP-SZMVWBNQSA-N 2 0 283.419 2.734 20 30 CFEDRP N#CC1CCC(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000903454105 621387856 /nfs/dbraw/zinc/38/78/56/621387856.db2.gz USYLVNCWPKCXHP-DQPZFDDXSA-N 2 0 275.440 2.780 20 30 CFEDRP C=CCCCCC[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903735441 621434349 /nfs/dbraw/zinc/43/43/49/621434349.db2.gz ZZHFJJJMTCGOMJ-INIZCTEOSA-N 2 0 280.456 2.823 20 30 CFEDRP C=CCOc1ccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903977494 621493429 /nfs/dbraw/zinc/49/34/29/621493429.db2.gz QKTVBNSFXDHSET-GDBMZVCRSA-N 2 0 274.408 2.668 20 30 CFEDRP C=CCOc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000904411831 621592773 /nfs/dbraw/zinc/59/27/73/621592773.db2.gz OBXNZJFVUGIDOJ-GOEBONIOSA-N 2 0 274.408 2.668 20 30 CFEDRP C=C(C)CNC(NC[C@@H]1CC[N@@H+](C(C)C)C1)=[NH+]C(C)(C)C ZINC000912498769 622730422 /nfs/dbraw/zinc/73/04/22/622730422.db2.gz GXHXTMYJUJSMAR-HNNXBMFYSA-N 2 0 294.487 2.627 20 30 CFEDRP C[N@@H+]1CCC[C@@H]2C[NH+](CC3CCC(C#N)CC3)CC[C@H]21 ZINC000929849365 623938893 /nfs/dbraw/zinc/93/88/93/623938893.db2.gz XMGYOGLBWHHRGT-BHUNQDJPSA-N 2 0 275.440 2.732 20 30 CFEDRP C#CCSCC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925455842 624478582 /nfs/dbraw/zinc/47/85/82/624478582.db2.gz RPLHRAJYCWZBEX-AWEZNQCLSA-N 2 0 276.449 2.765 20 30 CFEDRP C#Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000834902949 625916353 /nfs/dbraw/zinc/91/63/53/625916353.db2.gz MAOGNAWKMPIMGH-KSZLIROESA-N 2 0 268.404 2.630 20 30 CFEDRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)cc(C#N)cc2C)C1 ZINC000921582070 625991112 /nfs/dbraw/zinc/99/11/12/625991112.db2.gz PXHDFDXZMVHUPR-MRXNPFEDSA-N 2 0 285.435 2.997 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1CCc2nccn2C1 ZINC000922026163 626198261 /nfs/dbraw/zinc/19/82/61/626198261.db2.gz QRLJOOKOEBODTH-HNNXBMFYSA-N 2 0 294.402 2.724 20 30 CFEDRP C#CC[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000839579544 626547211 /nfs/dbraw/zinc/54/72/11/626547211.db2.gz VEXLWCSRQAHMGX-UHFFFAOYSA-N 2 0 256.393 2.738 20 30 CFEDRP C#CCSCC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000773010577 627768571 /nfs/dbraw/zinc/76/85/71/627768571.db2.gz NSEYFTPVUUFFON-NVXWUHKLSA-N 2 0 294.508 2.986 20 30 CFEDRP C#Cc1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000787771671 629033857 /nfs/dbraw/zinc/03/38/57/629033857.db2.gz SKWJUQQRGPSKCH-YOEHRIQHSA-N 2 0 256.393 2.582 20 30 CFEDRP C=CCCCCC[C@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000793522922 629560894 /nfs/dbraw/zinc/56/08/94/629560894.db2.gz BZEGQCIPBZPKGI-DLBZAZTESA-N 2 0 281.488 2.737 20 30 CFEDRP COc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1C#N ZINC000796835927 629975740 /nfs/dbraw/zinc/97/57/40/629975740.db2.gz FQKLQGBYUDXQBU-UHFFFAOYSA-N 2 0 287.407 2.529 20 30 CFEDRP C=CCc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc(OC)c1OC ZINC000817908723 632730030 /nfs/dbraw/zinc/73/00/30/632730030.db2.gz IAQRNTBVAZWKGQ-OLZOCXBDSA-N 2 0 292.423 2.648 20 30 CFEDRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OCC#N)cc1 ZINC000817919001 632734406 /nfs/dbraw/zinc/73/44/06/632734406.db2.gz ONYBGZRAKVIWNF-SLHHOWHOSA-N 2 0 285.391 2.523 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000817961459 632760148 /nfs/dbraw/zinc/76/01/48/632760148.db2.gz ZCGTWPGLEKKNLP-ZVZYQTTQSA-N 2 0 286.419 2.867 20 30 CFEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000817966039 632764522 /nfs/dbraw/zinc/76/45/22/632764522.db2.gz ZMZWTTFZVXEWBT-LBPRGKRZSA-N 2 0 280.799 2.688 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000848558130 633288553 /nfs/dbraw/zinc/28/85/53/633288553.db2.gz NOEAYALBJGVTIO-YQQAZPJKSA-N 2 0 286.419 2.689 20 30 CFEDRP C=CC[NH+](CC=C)[C@@H](CNc1cc[nH+]c(CO)c1)C(C)C ZINC000858340924 636198540 /nfs/dbraw/zinc/19/85/40/636198540.db2.gz SEIVQEMPGVIAJV-KRWDZBQOSA-N 2 0 289.423 2.684 20 30 CFEDRP CCC#C[C@H](C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212304 636507317 /nfs/dbraw/zinc/50/73/17/636507317.db2.gz MNMCRDZSIATLCL-HNNXBMFYSA-N 2 0 258.409 2.982 20 30 CFEDRP C[C@H](c1ccc(C#N)cc1)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866584432 638849026 /nfs/dbraw/zinc/84/90/26/638849026.db2.gz IGVKJFHACGGQCJ-XOKHGSTOSA-N 2 0 269.392 2.645 20 30 CFEDRP C=CCC[C@H](CC)[NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873246886 642094042 /nfs/dbraw/zinc/09/40/42/642094042.db2.gz CWVXNZDTZHLVOV-HNNXBMFYSA-N 2 0 299.422 2.560 20 30 CFEDRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C#N)cc1F ZINC000873265783 642109515 /nfs/dbraw/zinc/10/95/15/642109515.db2.gz XQMIBWYGFLIMAD-REBRKWNGSA-N 2 0 287.382 2.879 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)cc1 ZINC000873268372 642110961 /nfs/dbraw/zinc/11/09/61/642110961.db2.gz VULDPAPSOQGKJU-LSDHHAIUSA-N 2 0 286.419 2.737 20 30 CFEDRP CC[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000873271812 642112899 /nfs/dbraw/zinc/11/28/99/642112899.db2.gz LTNYHKFQRPNQNS-SUMWQHHRSA-N 2 0 271.408 2.987 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000873272632 642113758 /nfs/dbraw/zinc/11/37/58/642113758.db2.gz VULDPAPSOQGKJU-CABCVRRESA-N 2 0 286.419 2.737 20 30 CFEDRP C#CCCCCCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000876761041 642998760 /nfs/dbraw/zinc/99/87/60/642998760.db2.gz XOTYHBHJMXKSMW-QGZVFWFLSA-N 2 0 262.441 2.988 20 30 CFEDRP C#CCCCCCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000876811240 643021229 /nfs/dbraw/zinc/02/12/29/643021229.db2.gz JBQACVKVVAMCHQ-KZNAEPCWSA-N 2 0 292.467 2.754 20 30 CFEDRP C#CCCCCCC[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000877653590 643433292 /nfs/dbraw/zinc/43/32/92/643433292.db2.gz OCKBYQAZWBOBRI-INIZCTEOSA-N 2 0 250.430 2.892 20 30 CFEDRP C=C(C)CNC(=[NH2+])NCC1([NH+]2CCCCC2)CCCCC1 ZINC000303721892 651000299 /nfs/dbraw/zinc/00/02/99/651000299.db2.gz XTJOCOBAPJNDDI-UHFFFAOYSA-N 2 0 292.471 2.656 20 30 CFEDRP CCN(CC)C(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000303779630 651001764 /nfs/dbraw/zinc/00/17/64/651001764.db2.gz KSFWCABTBDKSAH-OAHLLOKOSA-N 2 0 282.476 2.544 20 30 CFEDRP CCCCNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000303780138 651002019 /nfs/dbraw/zinc/00/20/19/651002019.db2.gz LBVGAJJUGLAECU-HNNXBMFYSA-N 2 0 282.476 2.591 20 30 CFEDRP CCc1cccc(NC(=[NH2+])NC[C@H](CC(C)C)[NH+](C)C)c1 ZINC000303784803 651002059 /nfs/dbraw/zinc/00/20/59/651002059.db2.gz PSGJKNPKNOUCMY-INIZCTEOSA-N 2 0 290.455 2.952 20 30 CFEDRP CC(C)[C@H](CNC(=[NH2+])N1CCCCC1)[NH+]1CCCCCC1 ZINC000303792018 651002655 /nfs/dbraw/zinc/00/26/55/651002655.db2.gz YCIWCWZDSHYNQF-INIZCTEOSA-N 2 0 294.487 2.688 20 30 CFEDRP CCc1cccc(NC(=[NH2+])NC[C@@H](C)[NH+](CC)CC)c1 ZINC000303878995 651005191 /nfs/dbraw/zinc/00/51/91/651005191.db2.gz GINJUYUKZBCRDE-CYBMUJFWSA-N 2 0 276.428 2.706 20 30 CFEDRP Cc1cccc(NC(=[NH2+])NCCN(C)Cc2ccccc2)c1 ZINC000303890095 651006307 /nfs/dbraw/zinc/00/63/07/651006307.db2.gz PXFHSYKLMAXICN-UHFFFAOYSA-N 2 0 296.418 2.854 20 30 CFEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NCCC1CC[NH+](C)CC1 ZINC000303890042 651006494 /nfs/dbraw/zinc/00/64/94/651006494.db2.gz PVIYIPKNMGTJON-HNNXBMFYSA-N 2 0 296.503 2.837 20 30 CFEDRP C[C@H]1CCCN(C(=[NH2+])NCCCCCCC[NH+](C)C)C1 ZINC000303887711 651006653 /nfs/dbraw/zinc/00/66/53/651006653.db2.gz ONAQRDDGNRPGGM-HNNXBMFYSA-N 2 0 282.476 2.545 20 30 CFEDRP C[C@@H]1CCCN(C(=[NH2+])NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000303891232 651007393 /nfs/dbraw/zinc/00/73/93/651007393.db2.gz QLTDWLZAANIARV-ZMSDIMECSA-N 2 0 294.487 2.544 20 30 CFEDRP C=CCC[C@@H]([NH2+]CCC[NH+]1CCCCC1)[C@H]1CCCO1 ZINC000883167274 645635580 /nfs/dbraw/zinc/63/55/80/645635580.db2.gz UJVRXWGOWWMBKP-IAGOWNOFSA-N 2 0 280.456 2.966 20 30 CFEDRP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCO1 ZINC000883173882 645639467 /nfs/dbraw/zinc/63/94/67/645639467.db2.gz WKFGPXTUNQDHIY-NCOADZHNSA-N 2 0 278.440 2.717 20 30 CFEDRP CCCC[N@H+](C)CCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000304751919 651031655 /nfs/dbraw/zinc/03/16/55/651031655.db2.gz JSEQYGKNLRNIHC-UHFFFAOYSA-N 2 0 276.428 2.762 20 30 CFEDRP CC[C@H](CNC(=[NH2+])Nc1cc(C)cc(C)c1)[NH+]1CCCC1 ZINC000104166829 647552761 /nfs/dbraw/zinc/55/27/61/647552761.db2.gz DUUDBFVMMGZOGX-MRXNPFEDSA-N 2 0 288.439 2.904 20 30 CFEDRP C=CCSCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925591599 648230632 /nfs/dbraw/zinc/23/06/32/648230632.db2.gz RCDYNIOWZREOHK-GJZGRUSLSA-N 2 0 268.470 2.664 20 30 CFEDRP CC[C@H](C#N)Oc1cccc(CN[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000925620725 648243794 /nfs/dbraw/zinc/24/37/94/648243794.db2.gz XWHCXLVKASUQIV-NVXWUHKLSA-N 2 0 299.418 2.742 20 30 CFEDRP N#Cc1ccc(C2([NH2+][C@H]3C[C@@H]([NH3+])C34CCC4)CCC2)cc1 ZINC000925710021 648290544 /nfs/dbraw/zinc/29/05/44/648290544.db2.gz BEHBXVOMIJQACQ-CVEARBPZSA-N 2 0 281.403 2.797 20 30 CFEDRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCc2ccc(C#N)cc2)C1 ZINC000925713676 648292444 /nfs/dbraw/zinc/29/24/44/648292444.db2.gz MOXPMQSCYJBTMM-HOTGVXAUSA-N 2 0 271.408 2.596 20 30 CFEDRP C=CC[C@@H](C)[C@H](C)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925751997 648307389 /nfs/dbraw/zinc/30/73/89/648307389.db2.gz SUWQROPNJSVDJU-MNOVXSKESA-N 2 0 265.426 2.561 20 30 CFEDRP Cc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1C#N ZINC000925842108 648341695 /nfs/dbraw/zinc/34/16/95/648341695.db2.gz WHUAXZPMCDBGMN-CYBMUJFWSA-N 2 0 294.402 2.880 20 30 CFEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(-n2ccc(CC[NH3+])n2)cc1 ZINC001167732244 775860867 /nfs/dbraw/zinc/86/08/67/775860867.db2.gz TYQITLIPZAHHIH-GOSISDBHSA-N 2 0 296.418 2.696 20 30 CFEDRP C=CCCC[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397628057 776030914 /nfs/dbraw/zinc/03/09/14/776030914.db2.gz YXACWXJZOIDCKK-UHFFFAOYSA-N 2 0 288.435 2.569 20 30 CFEDRP C=CCOc1ccc(C[NH+]2CCC(F)(C[NH3+])CC2)cc1 ZINC001222533418 776167658 /nfs/dbraw/zinc/16/76/58/776167658.db2.gz YGNCVDQKMQSEKI-UHFFFAOYSA-N 2 0 278.371 2.514 20 30 CFEDRP N#CCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167966612 777421737 /nfs/dbraw/zinc/42/17/37/777421737.db2.gz XKIQONYEWGSLDD-MQVJKMGUSA-N 2 0 261.413 2.675 20 30 CFEDRP SC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167994698 777526695 /nfs/dbraw/zinc/52/66/95/777526695.db2.gz LBKNZWYRZFXPLU-YIONKMFJSA-N 2 0 280.481 2.786 20 30 CFEDRP C#CC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168003534 777568916 /nfs/dbraw/zinc/56/89/16/777568916.db2.gz OTQLQBGJECLYCI-JWTNVVGKSA-N 2 0 272.436 2.737 20 30 CFEDRP Cc1cc(C#N)ccc1CN1CCC([N@H+](C)C2CC2)CC1 ZINC001233082167 777791201 /nfs/dbraw/zinc/79/12/01/777791201.db2.gz BMBJLHOBDLGSLM-UHFFFAOYSA-N 2 0 283.419 2.925 20 30 CFEDRP COc1cc(C[NH+]2CCC(C#N)CC2)ccc1-n1ccnc1 ZINC001234032182 778146384 /nfs/dbraw/zinc/14/63/84/778146384.db2.gz HRBYCRIKOCFYBM-UHFFFAOYSA-N 2 0 296.374 2.616 20 30 CFEDRP C[NH+](C)C1CCC([NH2+]Cc2ccccc2C#N)CC1 ZINC001168297760 778413440 /nfs/dbraw/zinc/41/34/40/778413440.db2.gz JXVYICFXVVWCMP-UHFFFAOYSA-N 2 0 257.381 2.521 20 30 CFEDRP C[NH+](C)C1CCC(NC(=[NH2+])c2ccc3ccccc3n2)CC1 ZINC001168304278 778418757 /nfs/dbraw/zinc/41/87/57/778418757.db2.gz SCUUTZLGCQRNMG-UHFFFAOYSA-N 2 0 296.418 2.813 20 30 CFEDRP C=CCCCCCCC[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001235365598 778469401 /nfs/dbraw/zinc/46/94/01/778469401.db2.gz AONQWKQFTAYWKW-RCCFBDPRSA-N 2 0 292.467 2.966 20 30 CFEDRP C=CCCCCC[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235403531 778477968 /nfs/dbraw/zinc/47/79/68/778477968.db2.gz KZIFEKSQZNRQOL-GJZGRUSLSA-N 2 0 254.393 2.756 20 30 CFEDRP CCCCCCC[N@H+](C)Cc1ccc2n1CC[NH2+]C2 ZINC001235662930 778530695 /nfs/dbraw/zinc/53/06/95/778530695.db2.gz MYZVIQLEHLSRMK-UHFFFAOYSA-N 2 0 263.429 2.994 20 30 CFEDRP C=C(C)COc1ccccc1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235943922 778620522 /nfs/dbraw/zinc/62/05/22/778620522.db2.gz ZYIPCWYSHULRPW-WBVHZDCISA-N 2 0 286.419 2.683 20 30 CFEDRP C#CC1([NH2+]C2CC[NH+](CC3CC3)CC2)CCCCC1 ZINC001168368814 778628790 /nfs/dbraw/zinc/62/87/90/778628790.db2.gz POQJJOSBIRJCHZ-UHFFFAOYSA-N 2 0 260.425 2.787 20 30 CFEDRP SCCCCCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168369049 778635123 /nfs/dbraw/zinc/63/51/23/778635123.db2.gz URPWCTKCBOSGNX-UHFFFAOYSA-N 2 0 270.486 2.941 20 30 CFEDRP C=CCNCC[N@@H+](C(CC)CC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783560 778935991 /nfs/dbraw/zinc/93/59/91/778935991.db2.gz ULGIXWYNTCLONO-KOMQPUFPSA-N 2 0 267.461 2.523 20 30 CFEDRP CCC[N@@H+](Cc1ccc(C#N)cc1CC)C[C@H]1CC[NH2+]C1 ZINC001236842805 778962652 /nfs/dbraw/zinc/96/26/52/778962652.db2.gz ALSIMICZGHCYFY-INIZCTEOSA-N 2 0 285.435 2.942 20 30 CFEDRP C[N@@H+](Cc1ccc(Cl)c(C#N)c1)CC1CC[NH+](C)CC1 ZINC001238194625 779276161 /nfs/dbraw/zinc/27/61/61/779276161.db2.gz QJURJGXMEATIPC-UHFFFAOYSA-N 2 0 291.826 2.985 20 30 CFEDRP C#CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000175008992 779537095 /nfs/dbraw/zinc/53/70/95/779537095.db2.gz FUMPILHIXMXGIY-SJORKVTESA-N 2 0 286.419 2.661 20 30 CFEDRP C[N@@H+]1C[C@@H]2C[NH+](CCCCC(C)(C)C#N)C[C@]2(C)C1 ZINC000702390273 780918709 /nfs/dbraw/zinc/91/87/09/780918709.db2.gz VUJRGIOUVAURTB-ZBFHGGJFSA-N 2 0 263.429 2.590 20 30 CFEDRP C[C@@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)C[NH+](C)C ZINC000594521732 349440940 /nfs/dbraw/zinc/44/09/40/349440940.db2.gz UCNCGAVBLFUWQF-AWEZNQCLSA-N 2 0 273.424 2.775 20 30 CFEDRP N#Cc1ccc(C2([NH2+]CC3CC[NH2+]CC3)CCC2)cc1 ZINC000594581051 349450962 /nfs/dbraw/zinc/45/09/62/349450962.db2.gz HNXNQGALGGTPBS-UHFFFAOYSA-N 2 0 269.392 2.527 20 30 CFEDRP C[C@H]1C[C@H](C[NH2+]C(C)(C)c2cccc(C#N)c2)CC[NH2+]1 ZINC000594736623 349484964 /nfs/dbraw/zinc/48/49/64/349484964.db2.gz TWUOLMXDDLTAIK-DZGCQCFKSA-N 2 0 271.408 2.771 20 30 CFEDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594944655 349522872 /nfs/dbraw/zinc/52/28/72/349522872.db2.gz ATRFFRVDQUDIIM-WOVMCDHWSA-N 2 0 283.419 2.672 20 30 CFEDRP N#C[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000595102423 349582325 /nfs/dbraw/zinc/58/23/25/349582325.db2.gz HVLBXDNBEXHPSM-DLBZAZTESA-N 2 0 275.440 2.780 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000595375849 349612159 /nfs/dbraw/zinc/61/21/59/349612159.db2.gz FAKHJLLJVFLCDR-QAPCUYQASA-N 2 0 285.435 2.763 20 30 CFEDRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)CC1(C#N)CC1 ZINC000354889372 529865968 /nfs/dbraw/zinc/86/59/68/529865968.db2.gz ZCDQFBKLFKNSMC-UHFFFAOYSA-N 2 0 284.407 2.534 20 30 CFEDRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000596653296 349969733 /nfs/dbraw/zinc/96/97/33/349969733.db2.gz ZUKCVZAOWUQXSL-CYBMUJFWSA-N 2 0 294.402 2.614 20 30 CFEDRP N#Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1Cl ZINC000591573339 349030728 /nfs/dbraw/zinc/03/07/28/349030728.db2.gz NGCDSIBCAMPHOT-HIFRSBDPSA-N 2 0 277.799 2.819 20 30 CFEDRP C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)[C@@H]1CCC[NH2+]C1 ZINC000591578094 349031580 /nfs/dbraw/zinc/03/15/80/349031580.db2.gz XZGGAYZRQMKPBB-XCRHUMRWSA-N 2 0 283.419 2.913 20 30 CFEDRP CC[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(C#N)cc1 ZINC000591579949 349031814 /nfs/dbraw/zinc/03/18/14/349031814.db2.gz AUGPSRGDLUDQBX-JKSUJKDBSA-N 2 0 269.392 2.741 20 30 CFEDRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000592391582 349114720 /nfs/dbraw/zinc/11/47/20/349114720.db2.gz CJSDTQLDTISKLN-RHSMWYFYSA-N 2 0 271.408 2.573 20 30 CFEDRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594497721 349430773 /nfs/dbraw/zinc/43/07/73/349430773.db2.gz DOZFXIGBXWGQJD-MRXNPFEDSA-N 2 0 285.435 2.919 20 30 CFEDRP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597009805 350015251 /nfs/dbraw/zinc/01/52/51/350015251.db2.gz LKAOAZHMBPCIPC-MRXNPFEDSA-N 2 0 283.419 2.625 20 30 CFEDRP CC(C)(C#N)C[C@H](O)C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000598718913 350317035 /nfs/dbraw/zinc/31/70/35/350317035.db2.gz HQOXAOZBKXJYQS-INIZCTEOSA-N 2 0 295.471 2.533 20 30 CFEDRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000599071786 350370752 /nfs/dbraw/zinc/37/07/52/350370752.db2.gz SWIKSMHOZHEHNP-ZBFHGGJFSA-N 2 0 271.408 2.941 20 30 CFEDRP Cc1ccc(CN(C)C[C@H]2CCC[N@H+](C)C2)cc1C#N ZINC000599299443 350409388 /nfs/dbraw/zinc/40/93/88/350409388.db2.gz JQDJNJGQHVVOCR-INIZCTEOSA-N 2 0 271.408 2.640 20 30 CFEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000602019516 350833009 /nfs/dbraw/zinc/83/30/09/350833009.db2.gz FUMQIKBTEPXJDZ-IXDOHACOSA-N 2 0 271.408 2.618 20 30 CFEDRP C[C@H](CCC#N)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000602479189 350899797 /nfs/dbraw/zinc/89/97/97/350899797.db2.gz FVTAIPVPLITWLJ-ZBFHGGJFSA-N 2 0 263.429 2.590 20 30 CFEDRP C[C@H](CCC#N)C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000602505604 350908914 /nfs/dbraw/zinc/90/89/14/350908914.db2.gz ZGYKQRVIBALKSY-OAHLLOKOSA-N 2 0 251.418 2.638 20 30 CFEDRP C[C@@H](CCC#N)C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000602516864 350912514 /nfs/dbraw/zinc/91/25/14/350912514.db2.gz SHKPYJRGKKMGCG-HNNXBMFYSA-N 2 0 289.423 2.656 20 30 CFEDRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602474292 350896038 /nfs/dbraw/zinc/89/60/38/350896038.db2.gz GHZMVZCOUXOMAA-LSDHHAIUSA-N 2 0 251.418 2.590 20 30 CFEDRP C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000602661046 350965419 /nfs/dbraw/zinc/96/54/19/350965419.db2.gz BRNIZEKJAPZRJG-GOEBONIOSA-N 2 0 263.429 2.590 20 30 CFEDRP C[C@@H](CCC#N)C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000602618914 350949213 /nfs/dbraw/zinc/94/92/13/350949213.db2.gz TVIFASFUUDOOIR-AWEZNQCLSA-N 2 0 251.418 2.638 20 30 CFEDRP C[NH+](C)CCCC1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602802116 351030416 /nfs/dbraw/zinc/03/04/16/351030416.db2.gz WZZNBKPVOLDUJH-UHFFFAOYSA-N 2 0 263.429 2.734 20 30 CFEDRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907584 351063133 /nfs/dbraw/zinc/06/31/33/351063133.db2.gz OIUSWKVGKIXXNY-QGZVFWFLSA-N 2 0 298.434 2.617 20 30 CFEDRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000603431697 351163017 /nfs/dbraw/zinc/16/30/17/351163017.db2.gz GESYYWZNMLUNJE-CHWSQXEVSA-N 2 0 297.324 2.792 20 30 CFEDRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392028 351680562 /nfs/dbraw/zinc/68/05/62/351680562.db2.gz FKLYZSCRUBIRPR-CXAGYDPISA-N 2 0 271.408 2.865 20 30 CFEDRP C#CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000271600534 191236356 /nfs/dbraw/zinc/23/63/56/191236356.db2.gz ZMZNYSRPBVZGDY-KURKYZTESA-N 2 0 268.404 2.967 20 30 CFEDRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(C#N)cc1 ZINC000271642993 191254364 /nfs/dbraw/zinc/25/43/64/191254364.db2.gz HJQIATWPVOMIGH-CJNGLKHVSA-N 2 0 257.381 2.693 20 30 CFEDRP N#C[C@@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000334614800 283055823 /nfs/dbraw/zinc/05/58/23/283055823.db2.gz RGSTYBVOHGYYLD-WXLSXGNJSA-N 2 0 261.413 2.675 20 30 CFEDRP N#Cc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423098783 238199544 /nfs/dbraw/zinc/19/95/44/238199544.db2.gz LKVOTEFRFIYCAT-RCCFBDPRSA-N 2 0 283.419 2.611 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cccc(C#N)c1 ZINC000423270550 299369479 /nfs/dbraw/zinc/36/94/79/299369479.db2.gz GQVDZMJVMUYSGZ-VBNZEHGJSA-N 2 0 257.381 2.726 20 30 CFEDRP CC[N@@H+]1CC[C@H](NCc2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000449734412 242124055 /nfs/dbraw/zinc/12/40/55/242124055.db2.gz BJBAILCOQZWERF-LRDDRELGSA-N 2 0 275.371 2.517 20 30 CFEDRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000037644018 372677560 /nfs/dbraw/zinc/67/75/60/372677560.db2.gz AZAKLTRTMPQTND-ZFWWWQNUSA-N 2 0 257.381 2.551 20 30 CFEDRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000037649451 372684724 /nfs/dbraw/zinc/68/47/24/372684724.db2.gz RVDCYLLTWGEOAL-UKRRQHHQSA-N 2 0 269.392 2.693 20 30 CFEDRP C=CCOc1ccc(C[NH2+]C2CC[NH+](CC)CC2)cc1 ZINC000037976752 372744186 /nfs/dbraw/zinc/74/41/86/372744186.db2.gz DTCJNAXIEYFZQY-UHFFFAOYSA-N 2 0 274.408 2.825 20 30 CFEDRP Cc1ccc(NC(=[NH2+])NCCC[NH+]2CCCC2)cc1C ZINC000264088634 383694272 /nfs/dbraw/zinc/69/42/72/383694272.db2.gz KJOVPKRSIMKDEZ-UHFFFAOYSA-N 2 0 274.412 2.516 20 30 CFEDRP N#Cc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000063197548 373794840 /nfs/dbraw/zinc/79/48/40/373794840.db2.gz KTPCRGHWFURZGJ-QGZVFWFLSA-N 2 0 269.392 2.522 20 30 CFEDRP C[N@H+](CC1CC[NH+](C)CC1)CC(C)(C)CCC#N ZINC000093089407 375186906 /nfs/dbraw/zinc/18/69/06/375186906.db2.gz PVBLZQSDSHNORS-UHFFFAOYSA-N 2 0 251.418 2.590 20 30 CFEDRP CC[NH+](CC)Cc1cccc(C[NH+]=C(N(C)C)N(C)C)c1 ZINC000104164708 375771669 /nfs/dbraw/zinc/77/16/69/375771669.db2.gz SVVXETKZUOLULK-UHFFFAOYSA-N 2 0 290.455 2.508 20 30 CFEDRP CC(C)(C#N)CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000119673093 376450379 /nfs/dbraw/zinc/45/03/79/376450379.db2.gz ZNVHLMVBQNUHSO-HNNXBMFYSA-N 2 0 263.429 2.877 20 30 CFEDRP C[N@@H+]1CCC[C@@H]1CCN(CCC#N)CC(C)(C)C ZINC000120553108 376637904 /nfs/dbraw/zinc/63/79/04/376637904.db2.gz IXFLZCMDBVZKHV-CQSZACIVSA-N 2 0 251.418 2.732 20 30 CFEDRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CC(C#N)(c3ccccc3)C2)C1 ZINC000126138223 377214834 /nfs/dbraw/zinc/21/48/34/377214834.db2.gz SBMUXKAVWGOXKR-IVMQYODDSA-N 2 0 297.446 2.932 20 30 CFEDRP C=CCC[C@H](CCC)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128683179 377353646 /nfs/dbraw/zinc/35/36/46/377353646.db2.gz MSJABVOWJMUZCA-KRWDZBQOSA-N 2 0 281.488 2.739 20 30 CFEDRP C[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1n1ccnc1 ZINC000129440069 377427897 /nfs/dbraw/zinc/42/78/97/377427897.db2.gz PFXBTFSBZOYYRY-DYVFJYSZSA-N 2 0 298.365 2.977 20 30 CFEDRP C#CCOc1ccccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000131842128 377764972 /nfs/dbraw/zinc/76/49/72/377764972.db2.gz OSTQSQQJUWLNAF-AYHJJNSGSA-N 2 0 298.430 2.804 20 30 CFEDRP C=CC[NH+](CC=C)[C@@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000152066006 378389757 /nfs/dbraw/zinc/38/97/57/378389757.db2.gz FBSJWBYALGGIEI-KURKYZTESA-N 2 0 293.499 2.757 20 30 CFEDRP C[C@H]1C[C@@H](N(C)CC#Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000154293225 378555786 /nfs/dbraw/zinc/55/57/86/378555786.db2.gz JGEUGOUGYQWXLO-YOEHRIQHSA-N 2 0 274.383 2.592 20 30 CFEDRP C=C(C)[C@@H](CO)[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000679873504 542246018 /nfs/dbraw/zinc/24/60/18/542246018.db2.gz KOKKJHDIOUNEJW-QGZVFWFLSA-N 2 0 282.472 2.757 20 30 CFEDRP C[C@@H]1CC2(C[N@@H+]1Cc1cccc(C#N)c1)CC[NH2+]CC2 ZINC000335538811 379477129 /nfs/dbraw/zinc/47/71/29/379477129.db2.gz LSKDCBUSECOJCL-CQSZACIVSA-N 2 0 269.392 2.522 20 30 CFEDRP CC[N@H+](C)C[C@@H]1CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000173900436 379797419 /nfs/dbraw/zinc/79/74/19/379797419.db2.gz ZHNFXFITJVHUNE-HNNXBMFYSA-N 2 0 296.418 2.585 20 30 CFEDRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000175008613 379978132 /nfs/dbraw/zinc/97/81/32/379978132.db2.gz ITRTZUUISFVHNK-HOTGVXAUSA-N 2 0 257.381 2.521 20 30 CFEDRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000175008642 379978287 /nfs/dbraw/zinc/97/82/87/379978287.db2.gz ITRTZUUISFVHNK-CVEARBPZSA-N 2 0 257.381 2.521 20 30 CFEDRP C#CCCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000180168821 380627991 /nfs/dbraw/zinc/62/79/91/380627991.db2.gz OPMMPLKHYJDATM-CEXWTWQISA-N 2 0 282.431 2.900 20 30 CFEDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000181875223 380924005 /nfs/dbraw/zinc/92/40/05/380924005.db2.gz RSZVKTJLMZENIT-RHSMWYFYSA-N 2 0 289.423 2.566 20 30 CFEDRP C#Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000290296962 381373009 /nfs/dbraw/zinc/37/30/09/381373009.db2.gz HLVZBBYFPPQQQN-GOSISDBHSA-N 2 0 270.420 2.878 20 30 CFEDRP C=CCC[C@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290511375 381458363 /nfs/dbraw/zinc/45/83/63/381458363.db2.gz YOSDKNXWUDRNDN-HNNXBMFYSA-N 2 0 291.439 2.856 20 30 CFEDRP C=CCOCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297332488 381556480 /nfs/dbraw/zinc/55/64/80/381556480.db2.gz CXGLSDLMUSYVCE-UHFFFAOYSA-N 2 0 297.402 2.559 20 30 CFEDRP CCCCCCC[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000371427126 381624131 /nfs/dbraw/zinc/62/41/31/381624131.db2.gz SYWJZYMWNZHEII-SFHVURJKSA-N 2 0 295.515 2.916 20 30 CFEDRP C[C@@H]([NH2+]CCCCC#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185693252 381705558 /nfs/dbraw/zinc/70/55/58/381705558.db2.gz KEHDVHJKEILOFK-CABCVRRESA-N 2 0 263.429 2.923 20 30 CFEDRP N#C[C@@H]1CCC[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000185878267 381765725 /nfs/dbraw/zinc/76/57/25/381765725.db2.gz PSCMXHACEFEDDX-SJORKVTESA-N 2 0 298.434 2.970 20 30 CFEDRP C=CCCCCC[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361532400 381839406 /nfs/dbraw/zinc/83/94/06/381839406.db2.gz XLHFYWUGKLMGST-UHFFFAOYSA-N 2 0 289.423 2.959 20 30 CFEDRP C=CCCCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000373020281 381910290 /nfs/dbraw/zinc/91/02/90/381910290.db2.gz KLCARYJSFBGRKM-BRWVUGGUSA-N 2 0 280.456 2.822 20 30 CFEDRP C=CCOCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000292900784 381893930 /nfs/dbraw/zinc/89/39/30/381893930.db2.gz WAQHABJWNZKVCU-SFHVURJKSA-N 2 0 288.435 2.643 20 30 CFEDRP C=CC[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000349755428 381986229 /nfs/dbraw/zinc/98/62/29/381986229.db2.gz GCWSGCJGQZRREU-UAGQMJEPSA-N 2 0 280.456 2.556 20 30 CFEDRP C[C@H](C#N)Oc1ccc(CN2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000366488640 382518910 /nfs/dbraw/zinc/51/89/10/382518910.db2.gz JKFVRDLDGJZYBO-QAPCUYQASA-N 2 0 299.418 2.505 20 30 CFEDRP C=CCC[C@@H](CO)[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000320647571 382538663 /nfs/dbraw/zinc/53/86/63/382538663.db2.gz OKBHIXBFVHBBJX-ROUUACIJSA-N 2 0 288.435 2.568 20 30 CFEDRP C=CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000322852719 382540777 /nfs/dbraw/zinc/54/07/77/382540777.db2.gz QFHAVYHXXJAJRX-ALOPSCKCSA-N 2 0 286.419 2.966 20 30 CFEDRP C#Cc1ccc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000367308378 382564343 /nfs/dbraw/zinc/56/43/43/382564343.db2.gz OPLVHBUSXVBLLP-QGZVFWFLSA-N 2 0 265.360 2.702 20 30 CFEDRP C=CC[N@H+](CCc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000346834882 382536748 /nfs/dbraw/zinc/53/67/48/382536748.db2.gz NIKUDEKXWXZNDY-KRWDZBQOSA-N 2 0 258.409 2.717 20 30 CFEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000442708661 382947015 /nfs/dbraw/zinc/94/70/15/382947015.db2.gz KIDNNNFUIXOUNW-OAGGEKHMSA-N 2 0 263.429 2.780 20 30 CFEDRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(C#N)cc1F ZINC000423383677 383076429 /nfs/dbraw/zinc/07/64/29/383076429.db2.gz KNZAWZPDGYDINH-UHTWSYAYSA-N 2 0 261.344 2.618 20 30 CFEDRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000423033519 383022755 /nfs/dbraw/zinc/02/27/55/383022755.db2.gz ONGRSHRZGRWXFX-VXGBXAGGSA-N 2 0 263.360 2.865 20 30 CFEDRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(C#N)c1 ZINC000423426079 383091397 /nfs/dbraw/zinc/09/13/97/383091397.db2.gz PBNJHGXZCHAIFZ-RBSFLKMASA-N 2 0 271.408 2.974 20 30 CFEDRP C=CCC[C@H](O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000247680105 383190875 /nfs/dbraw/zinc/19/08/75/383190875.db2.gz ZPALJJFKTKLWEI-KSZLIROESA-N 2 0 294.483 2.900 20 30 CFEDRP C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449520377 383353166 /nfs/dbraw/zinc/35/31/66/383353166.db2.gz PEEMZMMIMIKOQQ-DDBAPUKQSA-N 2 0 292.467 2.963 20 30 CFEDRP C=CCC[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000449702306 383362453 /nfs/dbraw/zinc/36/24/53/383362453.db2.gz YLMABTYACBBHEB-NXHRZFHOSA-N 2 0 294.483 2.946 20 30 CFEDRP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000252657735 383424571 /nfs/dbraw/zinc/42/45/71/383424571.db2.gz GKXCEKGOZAWNOB-BRWVUGGUSA-N 2 0 269.392 2.569 20 30 CFEDRP COc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)ccc1C#N ZINC000262391990 383619649 /nfs/dbraw/zinc/61/96/49/383619649.db2.gz BIWJJDVTJNONGS-QGZVFWFLSA-N 2 0 299.418 2.531 20 30 CFEDRP COc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1C#N ZINC000262391986 383619673 /nfs/dbraw/zinc/61/96/73/383619673.db2.gz BIWJJDVTJNONGS-KRWDZBQOSA-N 2 0 299.418 2.531 20 30 CFEDRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000574701143 384135692 /nfs/dbraw/zinc/13/56/92/384135692.db2.gz RFVUSEPZOLISOT-UHFFFAOYSA-N 2 0 286.423 2.507 20 30 CFEDRP C[NH+](C)C(C)(C)CNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000267127026 384304789 /nfs/dbraw/zinc/30/47/89/384304789.db2.gz AFUQREKTNGYFPJ-UHFFFAOYSA-N 2 0 288.439 2.632 20 30 CFEDRP C[C@H](CNC(=[NH2+])Nc1ccccc1)N(C)Cc1ccccc1 ZINC000267379640 384373939 /nfs/dbraw/zinc/37/39/39/384373939.db2.gz APUFELGLGSRFJI-OAHLLOKOSA-N 2 0 296.418 2.934 20 30 CFEDRP CCN(CC)C(=[NH2+])NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000267453622 384396090 /nfs/dbraw/zinc/39/60/90/384396090.db2.gz SBYNPRWYUVSGCZ-AWEZNQCLSA-N 2 0 290.455 2.772 20 30 CFEDRP C=CCCC[C@@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638837654 384970180 /nfs/dbraw/zinc/97/01/80/384970180.db2.gz WOLNAIDRUGTCQP-CQSZACIVSA-N 2 0 268.445 2.556 20 30 CFEDRP C=C(C)C[N@@H+](CC)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000639445841 385533538 /nfs/dbraw/zinc/53/35/38/385533538.db2.gz SXZGJXUVZDFEJX-GOSISDBHSA-N 2 0 288.435 2.521 20 30 CFEDRP C[C@@H](CCCC[NH3+])[NH2+]CCSCc1ccccc1C#N ZINC000422987006 533537757 /nfs/dbraw/zinc/53/77/57/533537757.db2.gz HWCHETPOAGYVBO-AWEZNQCLSA-N 2 0 291.464 2.899 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+]CCCC[NH+](C)C)cc1 ZINC000268877457 132081729 /nfs/dbraw/zinc/08/17/29/132081729.db2.gz DYVUSGXYEHKTBS-HNNXBMFYSA-N 2 0 274.408 2.691 20 30 CFEDRP CC[NH+](CC)CC1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000338912236 393803782 /nfs/dbraw/zinc/80/37/82/393803782.db2.gz OPOKVGPIHBNMOS-HZPDHXFCSA-N 2 0 263.429 2.732 20 30 CFEDRP N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000338999084 393808284 /nfs/dbraw/zinc/80/82/84/393808284.db2.gz BCRVKQXMAQOWHJ-OWCLPIDISA-N 2 0 261.413 2.629 20 30 CFEDRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[C@H](C#N)C1 ZINC000339059617 393813477 /nfs/dbraw/zinc/81/34/77/393813477.db2.gz GHCPHIVLXMYWPH-FUHWJXTLSA-N 2 0 298.434 2.922 20 30 CFEDRP CC#CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476991037 393962983 /nfs/dbraw/zinc/96/29/83/393962983.db2.gz YHDLXHIPVCIRGJ-MRXNPFEDSA-N 2 0 262.441 2.986 20 30 CFEDRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000421376209 394208153 /nfs/dbraw/zinc/20/81/53/394208153.db2.gz DTQKBJHZMDOGQZ-CYBMUJFWSA-N 2 0 275.371 2.519 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC000151118498 394261344 /nfs/dbraw/zinc/26/13/44/394261344.db2.gz MKQKOBCFVMUYDC-GOEBONIOSA-N 2 0 286.419 2.966 20 30 CFEDRP C#C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(C)(C)C ZINC000297301322 394313965 /nfs/dbraw/zinc/31/39/65/394313965.db2.gz BEYAEZPBLOYUGW-INIZCTEOSA-N 2 0 271.408 2.688 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1ccc(C#N)cc1F ZINC000547979802 394900605 /nfs/dbraw/zinc/90/06/05/394900605.db2.gz MDKWPMDRWVLOOI-WCQYABFASA-N 2 0 284.338 2.559 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1ccc(C#N)c(F)c1 ZINC000547979785 394901118 /nfs/dbraw/zinc/90/11/18/394901118.db2.gz HQXXCEACBIGGMN-SMDDNHRTSA-N 2 0 284.338 2.559 20 30 CFEDRP C=CCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)c1 ZINC000647498244 395361778 /nfs/dbraw/zinc/36/17/78/395361778.db2.gz DBINTGLOYGDFRX-NVXWUHKLSA-N 2 0 274.408 2.811 20 30 CFEDRP C=CCOc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647499117 395364630 /nfs/dbraw/zinc/36/46/30/395364630.db2.gz ZVFBUGFSQITCIQ-GDBMZVCRSA-N 2 0 274.408 2.811 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647796902 395432696 /nfs/dbraw/zinc/43/26/96/395432696.db2.gz QUUOXGMLUBAZEI-BRWVUGGUSA-N 2 0 286.419 2.729 20 30 CFEDRP C=CC[C@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000651732254 413599413 /nfs/dbraw/zinc/59/94/13/413599413.db2.gz OCHHXUKYFZEKMB-JKSUJKDBSA-N 2 0 280.456 2.556 20 30 CFEDRP C=CCC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccco1 ZINC000285520274 196313327 /nfs/dbraw/zinc/31/33/27/196313327.db2.gz BCQVYVYGCGFQPS-HZPDHXFCSA-N 2 0 291.439 2.512 20 30 CFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000657881580 414024429 /nfs/dbraw/zinc/02/44/29/414024429.db2.gz UBFIISJLQZFGGS-KURKYZTESA-N 2 0 294.483 2.948 20 30 CFEDRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000037229617 173049804 /nfs/dbraw/zinc/04/98/04/173049804.db2.gz RNDZHOGTVMRWPL-AWEZNQCLSA-N 2 0 257.381 2.695 20 30 CFEDRP C=CCOc1ccccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000044516448 175190419 /nfs/dbraw/zinc/19/04/19/175190419.db2.gz UQEYHHNQLYXVQE-UHFFFAOYSA-N 2 0 274.408 2.683 20 30 CFEDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCC(C)(C)C#N)CC[C@@H]21 ZINC000129108457 260383250 /nfs/dbraw/zinc/38/32/50/260383250.db2.gz NAQZFKGWUPJCSV-CABCVRRESA-N 2 0 263.429 2.732 20 30 CFEDRP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21 ZINC000371506598 261269399 /nfs/dbraw/zinc/26/93/99/261269399.db2.gz SVJBSCGIDBHAMU-TWMKSMIVSA-N 2 0 293.455 2.548 20 30 CFEDRP C#CC[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364351733 262213747 /nfs/dbraw/zinc/21/37/47/262213747.db2.gz HNJRLMFAUJYAPH-JZXOWHBKSA-N 2 0 270.420 2.898 20 30 CFEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2cccc(CC)c2)C1 ZINC000264082300 262866438 /nfs/dbraw/zinc/86/64/38/262866438.db2.gz HUTVBICITDWVOX-HNNXBMFYSA-N 2 0 288.439 2.708 20 30 CFEDRP C=CCOc1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000414908317 263114994 /nfs/dbraw/zinc/11/49/94/263114994.db2.gz QTAYSKPQRWTDKB-KRWDZBQOSA-N 2 0 274.408 2.731 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000414971034 263172434 /nfs/dbraw/zinc/17/24/34/263172434.db2.gz LCOALDZBNJYPJJ-MRXNPFEDSA-N 2 0 274.408 2.729 20 30 CFEDRP C=CCOc1ccccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415102528 263274073 /nfs/dbraw/zinc/27/40/73/263274073.db2.gz CKGMRAAHJITPGC-ZBFHGGJFSA-N 2 0 274.408 2.668 20 30 CFEDRP C=CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415124988 263274170 /nfs/dbraw/zinc/27/41/70/263274170.db2.gz KUCDWMILLRRQAU-ZBFHGGJFSA-N 2 0 274.408 2.668 20 30 CFEDRP C=CCC[C@H]([NH2+]C[C@H]1CCC[C@H]1N1CCOCC1)C1CC1 ZINC000368570719 267187484 /nfs/dbraw/zinc/18/74/84/267187484.db2.gz YUJDHSUCSIPLIV-FGTMMUONSA-N 2 0 292.467 2.822 20 30 CFEDRP C[NH+](C)CCCC1CC[NH+](CCCCC#N)CC1 ZINC000123422125 268052536 /nfs/dbraw/zinc/05/25/36/268052536.db2.gz IFFVDNZYTPPGHE-UHFFFAOYSA-N 2 0 251.418 2.734 20 30 CFEDRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(C#N)cc1 ZINC000423433296 278355320 /nfs/dbraw/zinc/35/53/20/278355320.db2.gz XANGERDPQWUIQS-IIAWOOMASA-N 2 0 271.408 2.974 20 30 CFEDRP C[C@H]1C[N@H+](CCCc2cccc(C#N)c2)CCC[C@@H]1C[NH3+] ZINC001205985685 782057006 /nfs/dbraw/zinc/05/70/06/782057006.db2.gz ZTDZJXQJBDFDJW-MAUKXSAKSA-N 2 0 285.435 2.798 20 30 CFEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000335452305 303201442 /nfs/dbraw/zinc/20/14/42/303201442.db2.gz NRZCQBTUHLWRGI-KRWDZBQOSA-N 2 0 269.392 2.667 20 30 CFEDRP CN(CC#Cc1cccc(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000152280736 328364856 /nfs/dbraw/zinc/36/48/56/328364856.db2.gz PJYNAOTVERTYNL-MRXNPFEDSA-N 2 0 290.838 2.965 20 30 CFEDRP C#CCCC[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000176500317 329176085 /nfs/dbraw/zinc/17/60/85/329176085.db2.gz PKEUXZALOQEDKM-WBVHZDCISA-N 2 0 256.393 2.825 20 30 CFEDRP C[C@@H]1C[NH+](CCC2CC[NH+](CCCC#N)CC2)C[C@@H](C)O1 ZINC000177491896 329184584 /nfs/dbraw/zinc/18/45/84/329184584.db2.gz WGXGMZBQPYYITI-HZPDHXFCSA-N 2 0 293.455 2.501 20 30 CFEDRP [NH2+]=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)NC1CCCC1 ZINC000262696598 330027737 /nfs/dbraw/zinc/02/77/37/330027737.db2.gz DZCXRPUGXHRUQF-INIZCTEOSA-N 2 0 292.471 2.630 20 30 CFEDRP C=CC[NH+](CC=C)[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])C(C)C ZINC000422828019 330156511 /nfs/dbraw/zinc/15/65/11/330156511.db2.gz FOVZMIPLNOIRHD-FGTMMUONSA-N 2 0 293.499 2.935 20 30 CFEDRP C=CCN(CC=C)[C@H](C[NH2+]C1CCC(C[NH3+])CC1)C(C)C ZINC000422834795 330156870 /nfs/dbraw/zinc/15/68/70/330156870.db2.gz OFVXDJMXWTYWAP-DAWZGUTISA-N 2 0 293.499 2.792 20 30 CFEDRP C=CCN1CCC([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000422861260 330158058 /nfs/dbraw/zinc/15/80/58/330158058.db2.gz NUAMIHKBQXCYLA-WBVHZDCISA-N 2 0 279.472 2.537 20 30 CFEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423094302 330169511 /nfs/dbraw/zinc/16/95/11/330169511.db2.gz JUMXMBZOAHTLOB-BGTYHANMSA-N 2 0 288.435 2.516 20 30 CFEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423096717 330169896 /nfs/dbraw/zinc/16/98/96/330169896.db2.gz PPTXYISWOAZADB-ZKXLYKBJSA-N 2 0 292.467 2.868 20 30 CFEDRP C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)C1C[NH2+]C1 ZINC000423135840 330172103 /nfs/dbraw/zinc/17/21/03/330172103.db2.gz UQFKQQKJUVMCFJ-BBRMVZONSA-N 2 0 257.381 2.619 20 30 CFEDRP CC(C)(CC#N)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423165876 330174017 /nfs/dbraw/zinc/17/40/17/330174017.db2.gz BLWYJVQEOMGFMG-SOUVJXGZSA-N 2 0 263.429 2.827 20 30 CFEDRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000423296570 330188715 /nfs/dbraw/zinc/18/87/15/330188715.db2.gz ZLFUYYSAOOPWAT-BJJXKVORSA-N 2 0 257.381 2.878 20 30 CFEDRP C=CCCCC[C@H](C)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423407186 330196984 /nfs/dbraw/zinc/19/69/84/330196984.db2.gz LVUAFTNMLBXQFX-HNNXBMFYSA-N 2 0 268.445 2.727 20 30 CFEDRP C=CCCCC[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423518280 330209580 /nfs/dbraw/zinc/20/95/80/330209580.db2.gz ZKPWFUDADKVCOG-WWDZGPRUSA-N 2 0 293.499 2.927 20 30 CFEDRP N#C[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000446891185 330857306 /nfs/dbraw/zinc/85/73/06/330857306.db2.gz VGLGOYCJYFYYQB-CABCVRRESA-N 2 0 261.413 2.533 20 30 CFEDRP C[N@@H+]1CCC[C@H](CC[NH2+]CC(C)(C)CCC#N)C1 ZINC000459737634 331297086 /nfs/dbraw/zinc/29/70/86/331297086.db2.gz ROBDPHQVMQCJLO-CQSZACIVSA-N 2 0 251.418 2.638 20 30 CFEDRP CC(C)[NH+]1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000135086083 334114996 /nfs/dbraw/zinc/11/49/96/334114996.db2.gz PTNAKBIMTXUFOH-UHFFFAOYSA-N 2 0 251.418 2.779 20 30 CFEDRP C#CCCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000113320946 526742939 /nfs/dbraw/zinc/74/29/39/526742939.db2.gz QWTBEZGREWBALO-QGZVFWFLSA-N 2 0 298.430 2.663 20 30 CFEDRP C#CCCOc1ccc(C[NH2+]C2CC[NH+](CC)CC2)cc1 ZINC000113314533 526743074 /nfs/dbraw/zinc/74/30/74/526743074.db2.gz LCRPIKPXUZTMEH-UHFFFAOYSA-N 2 0 286.419 2.663 20 30 CFEDRP C=CCC[C@H](C)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353622697 527464611 /nfs/dbraw/zinc/46/46/11/527464611.db2.gz MUFJODZHPKBILJ-ZDUSSCGKSA-N 2 0 256.459 2.758 20 30 CFEDRP C#CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000742375408 574279306 /nfs/dbraw/zinc/27/93/06/574279306.db2.gz RSBLDWIBISAKDQ-RDJZCZTQSA-N 2 0 286.419 2.661 20 30 CFEDRP CC[N@@H+]1CC[C@@H](N(C)Cc2csc(C#N)c2)[C@@H](C)C1 ZINC000892105142 617953329 /nfs/dbraw/zinc/95/33/29/617953329.db2.gz JCBFBRMZLCLFNQ-SWLSCSKDSA-N 2 0 277.437 2.782 20 30 CFEDRP C[N@@H+]1CCC[C@@H]2CN(Cc3csc(C#N)c3)CC[C@@H]21 ZINC000892228635 618015473 /nfs/dbraw/zinc/01/54/73/618015473.db2.gz POTDFJYOYUKWMD-HIFRSBDPSA-N 2 0 275.421 2.536 20 30 CFEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc(OC(C)C)cc1 ZINC000104152136 618387228 /nfs/dbraw/zinc/38/72/28/618387228.db2.gz HUKMDKCQGPOBQX-UHFFFAOYSA-N 2 0 292.427 2.542 20 30 CFEDRP C=CC(C)(C)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925683266 618468120 /nfs/dbraw/zinc/46/81/20/618468120.db2.gz NLISUSHJHXSELW-LSDHHAIUSA-N 2 0 250.430 2.957 20 30 CFEDRP C[NH+](C)CC1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC000893187991 618871983 /nfs/dbraw/zinc/87/19/83/618871983.db2.gz WZQINVVXRSUGRW-UHFFFAOYSA-N 2 0 270.420 2.748 20 30 CFEDRP C=CCCC1(C[NH2+][C@H]2[C@@H]3COC[C@H]2C[C@@H]([NH3+])C3)CCCC1 ZINC000925703818 618957853 /nfs/dbraw/zinc/95/78/53/618957853.db2.gz FPCBYTKLZLGXPQ-DSPLQEQRSA-N 2 0 292.467 2.855 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925800541 619121524 /nfs/dbraw/zinc/12/15/24/619121524.db2.gz SQPBCXXPIGQIAW-BFYDXBDKSA-N 2 0 286.419 2.595 20 30 CFEDRP CC(C)(CCC#N)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000895671445 619582741 /nfs/dbraw/zinc/58/27/41/619582741.db2.gz PAFBSUALOYGEGF-UHFFFAOYSA-N 2 0 263.429 2.877 20 30 CFEDRP CC(C)CCNC(=[NH2+])NCCC[N@H+](C)C1CCCCC1 ZINC000303898006 619981798 /nfs/dbraw/zinc/98/17/98/619981798.db2.gz QYGQPUXJUWMLOY-UHFFFAOYSA-N 2 0 282.476 2.591 20 30 CFEDRP C=C(CC[NH+](C)C)C(=O)Nc1ccc(C[NH+](C)C)cc1C ZINC000909597768 619981857 /nfs/dbraw/zinc/98/18/57/619981857.db2.gz BJTSLEOPMSBJIX-UHFFFAOYSA-N 2 0 289.423 2.503 20 30 CFEDRP C[NH+](C)[C@H](CNC(=[NH2+])N1CCCCCC1)C1CCCCC1 ZINC000305088191 619987341 /nfs/dbraw/zinc/98/73/41/619987341.db2.gz VRJVRLJJGZHSFH-MRXNPFEDSA-N 2 0 294.487 2.688 20 30 CFEDRP CCCCCCCC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000902458190 621094867 /nfs/dbraw/zinc/09/48/67/621094867.db2.gz USPSBAOPXUULJI-TVXGVJEUSA-N 2 0 282.472 2.971 20 30 CFEDRP C[N@H+](Cc1cc(Cl)cc(C#N)c1)C1CCC([NH3+])CC1 ZINC000903424876 621379889 /nfs/dbraw/zinc/37/98/89/621379889.db2.gz JXAAZFWRKATLHV-UHFFFAOYSA-N 2 0 277.799 2.913 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000903453895 621387616 /nfs/dbraw/zinc/38/76/16/621387616.db2.gz ORIZCVIUXZZUHV-ROUUACIJSA-N 2 0 297.446 2.997 20 30 CFEDRP C[NH2+]C[C@@H]1CCC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000903712962 621430633 /nfs/dbraw/zinc/43/06/33/621430633.db2.gz CODIVSNKDDQDDZ-HNNXBMFYSA-N 2 0 263.429 2.782 20 30 CFEDRP C=C[C@@H]1CCCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903912876 621471975 /nfs/dbraw/zinc/47/19/75/621471975.db2.gz JIXMWRHSJWTOGS-MRXNPFEDSA-N 2 0 256.393 2.873 20 30 CFEDRP CC(C)([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(C#N)c1 ZINC000903933238 621477106 /nfs/dbraw/zinc/47/71/06/621477106.db2.gz MUHREJHGWMQHOI-ZXFUBFMLSA-N 2 0 283.419 2.914 20 30 CFEDRP C=CCOc1cccc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903975096 621492755 /nfs/dbraw/zinc/49/27/55/621492755.db2.gz XIHBCSQUBVNLHB-GDBMZVCRSA-N 2 0 274.408 2.587 20 30 CFEDRP C[C@H]1C[C@H](C[NH2+]C(C)(C)Cc2ccc(C#N)cc2)CC[NH2+]1 ZINC000903987557 621499520 /nfs/dbraw/zinc/49/95/20/621499520.db2.gz GVIGWCOADZRXOH-WMLDXEAASA-N 2 0 285.435 2.857 20 30 CFEDRP C[C@@H]1C[C@@H](C[NH2+]C(C)(C)Cc2ccc(C#N)cc2)CC[NH2+]1 ZINC000903987555 621499574 /nfs/dbraw/zinc/49/95/74/621499574.db2.gz GVIGWCOADZRXOH-PBHICJAKSA-N 2 0 285.435 2.857 20 30 CFEDRP CCCC[NH+]=C(NC[C@H]1CC[N@@H+](C(C)C)C1)NC(C)(C)C ZINC000912496989 622727145 /nfs/dbraw/zinc/72/71/45/622727145.db2.gz JTFDITYLXFVUID-OAHLLOKOSA-N 2 0 296.503 2.851 20 30 CFEDRP C=C(C)COCC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820823190 622766389 /nfs/dbraw/zinc/76/63/89/622766389.db2.gz MIBLRPDEYCJNPD-OAHLLOKOSA-N 2 0 276.424 2.992 20 30 CFEDRP C#CC[N@H+](C)CCCNc1nccc2ccc(C)cc21 ZINC000826108765 623794601 /nfs/dbraw/zinc/79/46/01/623794601.db2.gz OMOIAEIAAUIGDV-UHFFFAOYSA-N 2 0 267.376 2.910 20 30 CFEDRP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000834887972 625910457 /nfs/dbraw/zinc/91/04/57/625910457.db2.gz BFIUJHOLTBNDDR-GUDVDZBRSA-N 2 0 298.430 2.661 20 30 CFEDRP C[NH+](C)C1CCC([NH2+]Cc2csc(C#N)c2)CC1 ZINC000922191451 626236706 /nfs/dbraw/zinc/23/67/06/626236706.db2.gz ATJHGSQMOGTMOV-UHFFFAOYSA-N 2 0 263.410 2.582 20 30 CFEDRP C[N@@H+](CCc1cccc(C#N)c1)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923415327 626471600 /nfs/dbraw/zinc/47/16/00/626471600.db2.gz FMOZYDXAIUJHIN-JLYLLQBASA-N 2 0 297.446 2.953 20 30 CFEDRP C#C[C@H](CC)[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000809685833 626548885 /nfs/dbraw/zinc/54/88/85/626548885.db2.gz ULFGOPQBWUOREL-OAHLLOKOSA-N 2 0 285.435 2.723 20 30 CFEDRP C#C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C(C)(C)C ZINC000809781097 626907893 /nfs/dbraw/zinc/90/78/93/626907893.db2.gz HNSBZCTUHXRURB-QGZVFWFLSA-N 2 0 288.435 2.765 20 30 CFEDRP C[NH+](C)CCCCCCC[NH2+]Cc1nc(C#N)cs1 ZINC000810135260 627813316 /nfs/dbraw/zinc/81/33/16/627813316.db2.gz KRYLGBMZTWSKKI-UHFFFAOYSA-N 2 0 280.441 2.616 20 30 CFEDRP C=CCCCCC[C@@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000793522925 629561078 /nfs/dbraw/zinc/56/10/78/629561078.db2.gz BZEGQCIPBZPKGI-IAGOWNOFSA-N 2 0 281.488 2.737 20 30 CFEDRP CCCCCCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852760473 634826735 /nfs/dbraw/zinc/82/67/35/634826735.db2.gz GHOMIPWXPVNTAQ-MRXNPFEDSA-N 2 0 270.461 2.999 20 30 CFEDRP C#C[C@@H](CC)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000809686216 631262807 /nfs/dbraw/zinc/26/28/07/631262807.db2.gz AYENJTONRXTLJK-KRWDZBQOSA-N 2 0 286.419 2.663 20 30 CFEDRP C=CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccncc1 ZINC000843341382 631931089 /nfs/dbraw/zinc/93/10/89/631931089.db2.gz CNDCLBJPBPVGSZ-TWMKSMIVSA-N 2 0 271.408 2.677 20 30 CFEDRP CCCCCCCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000817914111 632731674 /nfs/dbraw/zinc/73/16/74/632731674.db2.gz WQWSEXLVMHCSGA-SOUVJXGZSA-N 2 0 256.434 2.689 20 30 CFEDRP C=CCCCCCC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000817932791 632741344 /nfs/dbraw/zinc/74/13/44/632741344.db2.gz WQHPAVUOZNYOSR-YESZJQIVSA-N 2 0 280.456 2.870 20 30 CFEDRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(C#N)cc1 ZINC000817947645 632749435 /nfs/dbraw/zinc/74/94/35/632749435.db2.gz DSLWJNCYSGUDJC-AWEZNQCLSA-N 2 0 279.387 2.910 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+]CCC[NH2+]C(C)C)cc1 ZINC000817952311 632752657 /nfs/dbraw/zinc/75/26/57/632752657.db2.gz DNGUAZPDTNTGLZ-HNNXBMFYSA-N 2 0 274.408 2.737 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000817980424 632776884 /nfs/dbraw/zinc/77/68/84/632776884.db2.gz LDRMBCSQOXRBOE-RDJZCZTQSA-N 2 0 286.419 2.881 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(OCC#N)cc1 ZINC000817987543 632782311 /nfs/dbraw/zinc/78/23/11/632782311.db2.gz UFAXJOKRALFUFY-RKTXRCNFSA-N 2 0 299.418 2.628 20 30 CFEDRP C#CCCOc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000848562927 633290104 /nfs/dbraw/zinc/29/01/04/633290104.db2.gz MSUVBDFRHZGQLC-CALCHBBNSA-N 2 0 286.419 2.519 20 30 CFEDRP CCCCCCCCNC(=[NH2+])NCC[NH+]1CCCCC1 ZINC000849053737 633481634 /nfs/dbraw/zinc/48/16/34/633481634.db2.gz DIHHXCPLFYPUDY-UHFFFAOYSA-N 2 0 282.476 2.947 20 30 CFEDRP C#CC[C@H](COC)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000862548626 637421115 /nfs/dbraw/zinc/42/11/15/637421115.db2.gz JLPBDJHXHPFQAL-NXHRZFHOSA-N 2 0 292.467 2.657 20 30 CFEDRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000866516543 638834413 /nfs/dbraw/zinc/83/44/13/638834413.db2.gz BRWWWKJDGLCYBJ-JWMHWRSXSA-N 2 0 263.429 2.921 20 30 CFEDRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000866516544 638834444 /nfs/dbraw/zinc/83/44/44/638834444.db2.gz BRWWWKJDGLCYBJ-UIDBIOKJSA-N 2 0 263.429 2.921 20 30 CFEDRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000192971905 650613111 /nfs/dbraw/zinc/61/31/11/650613111.db2.gz PRLMRWMEBJVAQP-DZGCQCFKSA-N 2 0 263.429 2.921 20 30 CFEDRP N#CCC[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000872223204 641707783 /nfs/dbraw/zinc/70/77/83/641707783.db2.gz OABXPECZUVJKKD-UHFFFAOYSA-N 2 0 271.408 2.792 20 30 CFEDRP C=C[C@H]1CCCC[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873209903 642069321 /nfs/dbraw/zinc/06/93/21/642069321.db2.gz VPKHLIWXTOTFLC-ZDUSSCGKSA-N 2 0 262.422 2.934 20 30 CFEDRP N#Cc1ccc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)o1 ZINC000873231841 642085501 /nfs/dbraw/zinc/08/55/01/642085501.db2.gz RWNVRVNCQBAXQT-OAHLLOKOSA-N 2 0 273.380 2.553 20 30 CFEDRP C#CCCCCCC[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000877477687 643294082 /nfs/dbraw/zinc/29/40/82/643294082.db2.gz HKDZQKYQCUNTSV-QGZVFWFLSA-N 2 0 280.456 2.661 20 30 CFEDRP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCCCC1)CC(C)C ZINC000303790352 651002847 /nfs/dbraw/zinc/00/28/47/651002847.db2.gz WCFKBLYMTSJVKG-OAHLLOKOSA-N 2 0 282.476 2.544 20 30 CFEDRP CC1CC[NH+](CCCCNC(=[NH2+])NC2CCCCC2)CC1 ZINC000303869845 651004850 /nfs/dbraw/zinc/00/48/50/651004850.db2.gz BCIILCWRTYRRMK-UHFFFAOYSA-N 2 0 294.487 2.736 20 30 CFEDRP Cc1cccc(NC(=[NH2+])NCC[N@H+]2CCCC[C@H]2C)c1 ZINC000303869464 651005144 /nfs/dbraw/zinc/00/51/44/651005144.db2.gz AXPNMQDRHVAESF-CQSZACIVSA-N 2 0 274.412 2.596 20 30 CFEDRP Cc1ccc(NC(=[NH2+])NCC[N@H+]2CCC[C@H](C)C2)cc1C ZINC000303878944 651005644 /nfs/dbraw/zinc/00/56/44/651005644.db2.gz GFKUSYDWHHVLAF-ZDUSSCGKSA-N 2 0 288.439 2.762 20 30 CFEDRP Cc1ccc(NC(=[NH2+])NCC[N@H+]2CCC[C@@H](C)C2)cc1C ZINC000303878943 651005665 /nfs/dbraw/zinc/00/56/65/651005665.db2.gz GFKUSYDWHHVLAF-CYBMUJFWSA-N 2 0 288.439 2.762 20 30 CFEDRP C[C@H]1CCCN(C(=[NH2+])NCCC[N@H+](C)C2CCCCC2)C1 ZINC000303894517 651007043 /nfs/dbraw/zinc/00/70/43/651007043.db2.gz OYTCOEDEGJQIRU-HNNXBMFYSA-N 2 0 294.487 2.688 20 30 CFEDRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000303896740 651007591 /nfs/dbraw/zinc/00/75/91/651007591.db2.gz QDZXLANBTSYUFW-CYBMUJFWSA-N 2 0 288.439 2.632 20 30 CFEDRP CC[C@H](C)NC(=[NH2+])NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000304005095 651013022 /nfs/dbraw/zinc/01/30/22/651013022.db2.gz SKMWWNOAIJMUMR-UONOGXRCSA-N 2 0 290.455 2.819 20 30 CFEDRP C#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000883132637 645618758 /nfs/dbraw/zinc/61/87/58/645618758.db2.gz YWPYNEUZCAHDRP-INIZCTEOSA-N 2 0 256.393 2.630 20 30 CFEDRP CC(C)Oc1ccc(NC(=[NH2+])NCC[NH2+]C(C)(C)C)cc1 ZINC000304753395 651032533 /nfs/dbraw/zinc/03/25/33/651032533.db2.gz LBZULPSHXIWXII-UHFFFAOYSA-N 2 0 292.427 2.589 20 30 CFEDRP C=CCC[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883290337 645723770 /nfs/dbraw/zinc/72/37/70/645723770.db2.gz RKRAVJVJUMTJKK-INIZCTEOSA-N 2 0 287.451 2.883 20 30 CFEDRP Cc1cccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000304987196 651039684 /nfs/dbraw/zinc/03/96/84/651039684.db2.gz BRKGLZQRPYOPKD-OAHLLOKOSA-N 2 0 288.439 2.700 20 30 CFEDRP C[C@H]1CCCC[N@@H+]1CCCCNC(=[NH2+])N1CCCCCC1 ZINC000305044687 651041973 /nfs/dbraw/zinc/04/19/73/651041973.db2.gz DZQUPHKUXMFLHT-INIZCTEOSA-N 2 0 294.487 2.832 20 30 CFEDRP C[NH+](C)CCCCCCCNC(=[NH2+])N1CCCCCC1 ZINC000305055967 651042448 /nfs/dbraw/zinc/04/24/48/651042448.db2.gz JEWHCVXYWBIXEM-UHFFFAOYSA-N 2 0 282.476 2.689 20 30 CFEDRP C=C(C)C[C@@H](CO)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886652037 647090002 /nfs/dbraw/zinc/09/00/02/647090002.db2.gz XJEFHUKLOADCNL-CGZBRXJRSA-N 2 0 280.456 2.700 20 30 CFEDRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCC(C)(C)C#N ZINC000887132821 647222275 /nfs/dbraw/zinc/22/22/75/647222275.db2.gz NRZGEQQDZCXWAB-CQSZACIVSA-N 2 0 272.396 2.532 20 30 CFEDRP CCCCCCCCNC(=[NH2+])NCC1CC[NH+](C)CC1 ZINC000104181666 647555340 /nfs/dbraw/zinc/55/53/40/647555340.db2.gz KLACXEVDSZPHGF-UHFFFAOYSA-N 2 0 282.476 2.593 20 30 CFEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925654239 648263966 /nfs/dbraw/zinc/26/39/66/648263966.db2.gz FFTGCQFJPZFKCI-XDNAFOTISA-N 2 0 292.467 2.726 20 30 CFEDRP CSc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1C#N ZINC000925771292 648314940 /nfs/dbraw/zinc/31/49/40/648314940.db2.gz APXBVMKIHCMLCS-LSDHHAIUSA-N 2 0 287.432 2.640 20 30 CFEDRP C=CCC[C@@H](CO)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926545102 648526844 /nfs/dbraw/zinc/52/68/44/648526844.db2.gz HZXNCWJBPMKIJE-PBHICJAKSA-N 2 0 276.424 2.726 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH+](C)CC2CCC(C#N)CC2)[C@H](C)C1 ZINC000930000769 649163433 /nfs/dbraw/zinc/16/34/33/649163433.db2.gz RKJNYKVWXQHCEH-VXLLPVPCSA-N 2 0 277.456 2.978 20 30 CFEDRP C#CCCCCCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931357174 649414663 /nfs/dbraw/zinc/41/46/63/649414663.db2.gz SCFUUJOCZITCIT-UHFFFAOYSA-N 2 0 250.430 2.986 20 30 CFEDRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3C(C)(C)C#N)C[C@@H]2C1 ZINC000931435134 649426140 /nfs/dbraw/zinc/42/61/40/649426140.db2.gz HJQUDKDELNTJFE-WBVHZDCISA-N 2 0 297.446 2.871 20 30 CFEDRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H](C#N)C1 ZINC001167838889 776590951 /nfs/dbraw/zinc/59/09/51/776590951.db2.gz XAZIFHJGQCLDIX-LSDHHAIUSA-N 2 0 251.418 2.732 20 30 CFEDRP C#CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1 ZINC001235048452 778366118 /nfs/dbraw/zinc/36/61/18/778366118.db2.gz YCJBZWYZJCKERQ-IBGZPJMESA-N 2 0 298.430 2.807 20 30 CFEDRP C=CCCCCCCCC[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235052907 778367264 /nfs/dbraw/zinc/36/72/64/778367264.db2.gz RJQOLCCBRMTVIL-QGZVFWFLSA-N 2 0 279.472 2.540 20 30 CFEDRP Cc1ccc(C(=[NH2+])NC2CCC([NH+](C)C)CC2)cc1C ZINC001168312360 778424161 /nfs/dbraw/zinc/42/41/61/778424161.db2.gz RTQCAFVJWIWBRM-UHFFFAOYSA-N 2 0 273.424 2.882 20 30 CFEDRP N#C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168355860 778455595 /nfs/dbraw/zinc/45/55/95/778455595.db2.gz CTSANJCIIXMVMB-OTVXOJSOSA-N 2 0 261.413 2.533 20 30 CFEDRP CCCCCCC[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235404053 778477907 /nfs/dbraw/zinc/47/79/07/778477907.db2.gz MBOXFDQXZXPBCI-HUUCEWRRSA-N 2 0 256.409 2.980 20 30 CFEDRP C[N@@H+](Cc1ccccc1CC#N)CC1CC[NH+](C)CC1 ZINC001235523777 778511924 /nfs/dbraw/zinc/51/19/24/778511924.db2.gz UTNDVEHZGVRBMZ-UHFFFAOYSA-N 2 0 271.408 2.526 20 30 CFEDRP C=CCOc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236315082 778773909 /nfs/dbraw/zinc/77/39/09/778773909.db2.gz VQJAZPXJDVWQCP-CALCHBBNSA-N 2 0 286.419 2.683 20 30 CFEDRP CCCCCCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001236410523 778806861 /nfs/dbraw/zinc/80/68/61/778806861.db2.gz FTRGZKFHFJMZQM-GJZGRUSLSA-N 2 0 284.444 2.559 20 30 CFEDRP C[C@H]([NH3+])c1ccccc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240355503 780106736 /nfs/dbraw/zinc/10/67/36/780106736.db2.gz HXUJKRZOUKSGRW-LBPRGKRZSA-N 2 0 277.371 2.932 20 30 CFEDRP N#Cc1ncccc1-c1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001242312062 781388736 /nfs/dbraw/zinc/38/87/36/781388736.db2.gz PTXOELCGPTZFFT-UHFFFAOYSA-N 2 0 292.386 2.543 20 30 CFEDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000594509735 349434591 /nfs/dbraw/zinc/43/45/91/349434591.db2.gz LVRRITJEZVYNPS-UWWQBHOKSA-N 2 0 283.419 2.865 20 30 CFEDRP N#CCC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000594583045 349451748 /nfs/dbraw/zinc/45/17/48/349451748.db2.gz RWEJVBSFAAILLE-PMPSAXMXSA-N 2 0 257.381 2.891 20 30 CFEDRP N#CC1(c2ccc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000594914778 349503784 /nfs/dbraw/zinc/50/37/84/349503784.db2.gz LDPYRIODTMOSPN-INIZCTEOSA-N 2 0 295.430 2.816 20 30 CFEDRP C=CCCSCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000595059175 349570638 /nfs/dbraw/zinc/57/06/38/349570638.db2.gz MBNDTIFIXARCFY-UHFFFAOYSA-N 2 0 256.459 2.758 20 30 CFEDRP N#C[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000595102426 349582439 /nfs/dbraw/zinc/58/24/39/349582439.db2.gz HVLBXDNBEXHPSM-SJORKVTESA-N 2 0 275.440 2.780 20 30 CFEDRP C[N@@H+]1CCC[C@H]1CC[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595639108 349685445 /nfs/dbraw/zinc/68/54/45/349685445.db2.gz HGGXOTQSMRJMNC-INIZCTEOSA-N 2 0 271.408 2.867 20 30 CFEDRP C[C@H]1CCC[N@H+](CCc2ccc(C#N)cc2)[C@H]1CC[NH3+] ZINC000595896634 349763968 /nfs/dbraw/zinc/76/39/68/349763968.db2.gz SLOHWTNVAUNONO-YOEHRIQHSA-N 2 0 271.408 2.550 20 30 CFEDRP C[C@@H](CNC(=[NH2+])Nc1ccccc1)[NH+]1CCC(C)CC1 ZINC000066243789 346751065 /nfs/dbraw/zinc/75/10/65/346751065.db2.gz GSNMZEVXWBMPLC-AWEZNQCLSA-N 2 0 274.412 2.534 20 30 CFEDRP C=CCCC[C@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000091559208 347592529 /nfs/dbraw/zinc/59/25/29/347592529.db2.gz KOBJOYIIVCTJAB-ZWKOTPCHSA-N 2 0 293.499 2.833 20 30 CFEDRP C[N@H+](CCC#N)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820959 347647455 /nfs/dbraw/zinc/64/74/55/347647455.db2.gz XYEJHTWHDWSWCZ-UHFFFAOYSA-N 2 0 272.396 2.534 20 30 CFEDRP Cc1cc(C#N)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000229150925 348198667 /nfs/dbraw/zinc/19/86/67/348198667.db2.gz PTZQTMFJTMNWKS-ZWKOTPCHSA-N 2 0 283.419 2.783 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000591577292 349031072 /nfs/dbraw/zinc/03/10/72/349031072.db2.gz MOOFCBDGFNTQBS-DYVFJYSZSA-N 2 0 269.392 2.525 20 30 CFEDRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591573350 349031085 /nfs/dbraw/zinc/03/10/85/349031085.db2.gz PQVYKDURXPCPNX-NSHDSACASA-N 2 0 265.788 2.819 20 30 CFEDRP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000591578303 349031898 /nfs/dbraw/zinc/03/18/98/349031898.db2.gz NEBHGGIHWDJYMA-HZPDHXFCSA-N 2 0 257.381 2.741 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000591582510 349032730 /nfs/dbraw/zinc/03/27/30/349032730.db2.gz VPJDOKLJRMVQAZ-KMFMINBZSA-N 2 0 269.392 2.653 20 30 CFEDRP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000592401965 349116748 /nfs/dbraw/zinc/11/67/48/349116748.db2.gz FLSNTYLQBKHCOK-DDBAPUKQSA-N 2 0 283.419 2.614 20 30 CFEDRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000593324482 349247322 /nfs/dbraw/zinc/24/73/22/349247322.db2.gz WOVDRIPJSGKUKG-XJKSGUPXSA-N 2 0 257.381 2.578 20 30 CFEDRP CCC[NH+]1CCC(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000105446219 186058095 /nfs/dbraw/zinc/05/80/95/186058095.db2.gz NLHXTDSJBRZKIH-UHFFFAOYSA-N 2 0 271.408 2.770 20 30 CFEDRP C[N@H+](CCC[NH2+]C[C@@H](O)CC(C)(C)C#N)C1CCCCC1 ZINC000598701534 350312622 /nfs/dbraw/zinc/31/26/22/350312622.db2.gz WQLBETWPEDQDBP-INIZCTEOSA-N 2 0 295.471 2.531 20 30 CFEDRP C[N@H+](CCC[NH2+]C[C@H](O)CC(C)(C)C#N)C1CCCCC1 ZINC000598701535 350312804 /nfs/dbraw/zinc/31/28/04/350312804.db2.gz WQLBETWPEDQDBP-MRXNPFEDSA-N 2 0 295.471 2.531 20 30 CFEDRP Cc1ccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)cc1C#N ZINC000599298063 350409270 /nfs/dbraw/zinc/40/92/70/350409270.db2.gz PWYSSQAMAOSRFR-KRWDZBQOSA-N 2 0 283.419 2.784 20 30 CFEDRP Cc1ccc(C[N@H+]2CC[C@@H](c3nccn3C)C2)cc1C#N ZINC000599338542 350417258 /nfs/dbraw/zinc/41/72/58/350417258.db2.gz CWOMZZYAKBEQOJ-OAHLLOKOSA-N 2 0 280.375 2.590 20 30 CFEDRP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000602020036 350833805 /nfs/dbraw/zinc/83/38/05/350833805.db2.gz IHEZAABELGFVAL-CZUORRHYSA-N 2 0 269.392 2.504 20 30 CFEDRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(C#N)cc1F ZINC000602022778 350834024 /nfs/dbraw/zinc/83/40/24/350834024.db2.gz VHHLVORPESZBAZ-OBJOEFQTSA-N 2 0 275.371 2.865 20 30 CFEDRP C[C@@H](CCC#N)C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000602518779 350912528 /nfs/dbraw/zinc/91/25/28/350912528.db2.gz RWJLUZSCGHTIHW-GJZGRUSLSA-N 2 0 251.418 2.638 20 30 CFEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000602688965 350980838 /nfs/dbraw/zinc/98/08/38/350980838.db2.gz UPCCPNJSAMIGEE-OAHLLOKOSA-N 2 0 293.455 2.549 20 30 CFEDRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602700677 350987072 /nfs/dbraw/zinc/98/70/72/350987072.db2.gz VNLDNSKTIWLASG-MRXNPFEDSA-N 2 0 295.471 2.653 20 30 CFEDRP C[NH+](C)CC1(C[NH2+]C2CCC(C#N)CC2)CCCC1 ZINC000602615902 350947250 /nfs/dbraw/zinc/94/72/50/350947250.db2.gz IZQSCFBPBLWIKH-UHFFFAOYSA-N 2 0 263.429 2.780 20 30 CFEDRP C[C@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000602812593 351034869 /nfs/dbraw/zinc/03/48/69/351034869.db2.gz UEZHJXMGPGBSSV-LSDHHAIUSA-N 2 0 275.440 2.923 20 30 CFEDRP N#Cc1ccccc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602845370 351043628 /nfs/dbraw/zinc/04/36/28/351043628.db2.gz IQZHVJMPKVKKSQ-UHFFFAOYSA-N 2 0 292.386 2.666 20 30 CFEDRP C[NH+]1CCC2(CC[N@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC000602877450 351055245 /nfs/dbraw/zinc/05/52/45/351055245.db2.gz OAMWNHDLMAXAPE-UHFFFAOYSA-N 2 0 287.382 2.615 20 30 CFEDRP C[N@H+](CCCC[NH+]1CCCCC1)[C@H]1CC[C@@H](C#N)C1 ZINC000603119800 351106802 /nfs/dbraw/zinc/10/68/02/351106802.db2.gz LSCHMEXARNHTJP-CVEARBPZSA-N 2 0 263.429 2.877 20 30 CFEDRP C#CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291385268 198007202 /nfs/dbraw/zinc/00/72/02/198007202.db2.gz BTUCTTWQKWOAPJ-UHFFFAOYSA-N 2 0 268.404 2.608 20 30 CFEDRP N#Cc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000610432062 351566004 /nfs/dbraw/zinc/56/60/04/351566004.db2.gz RCBDSJBLGUCWOH-UHFFFAOYSA-N 2 0 292.386 2.666 20 30 CFEDRP CC(C)[NH2+][C@@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000610447979 351568255 /nfs/dbraw/zinc/56/82/55/351568255.db2.gz WLSMBCKMURXOKO-CQSZACIVSA-N 2 0 251.418 2.779 20 30 CFEDRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccc(C#N)c1 ZINC000611388858 351679233 /nfs/dbraw/zinc/67/92/33/351679233.db2.gz KUQVCMNTOPUJLX-CJNGLKHVSA-N 2 0 257.381 2.693 20 30 CFEDRP C[C@@H]1CCN(CC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611393408 351681419 /nfs/dbraw/zinc/68/14/19/351681419.db2.gz FJZGIZTYUJMMLT-RDTXWAMCSA-N 2 0 283.419 2.867 20 30 CFEDRP C=CCOc1cccc(C[NH2+]C[C@@H](C)C[NH+](C)C)c1 ZINC000291772546 198086839 /nfs/dbraw/zinc/08/68/39/198086839.db2.gz SZMWJOJBNNLYNV-CQSZACIVSA-N 2 0 262.397 2.539 20 30 CFEDRP C#CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000271600537 191234832 /nfs/dbraw/zinc/23/48/32/191234832.db2.gz ZMZNYSRPBVZGDY-SQNIBIBYSA-N 2 0 268.404 2.967 20 30 CFEDRP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(C#N)cc1 ZINC000271642995 191255003 /nfs/dbraw/zinc/25/50/03/191255003.db2.gz HJQIATWPVOMIGH-XJKSGUPXSA-N 2 0 257.381 2.693 20 30 CFEDRP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(C#N)cc1 ZINC000271642994 191255853 /nfs/dbraw/zinc/25/58/53/191255853.db2.gz HJQIATWPVOMIGH-CZUORRHYSA-N 2 0 257.381 2.693 20 30 CFEDRP N#C[C@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000334614797 283065477 /nfs/dbraw/zinc/06/54/77/283065477.db2.gz RGSTYBVOHGYYLD-QRNKSROTSA-N 2 0 261.413 2.675 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CC2 ZINC000423274545 283198126 /nfs/dbraw/zinc/19/81/26/283198126.db2.gz MALYBUJCIQQIBV-CXAGYDPISA-N 2 0 269.392 2.525 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000414907572 540830253 /nfs/dbraw/zinc/83/02/53/540830253.db2.gz AORWJDIPTNNUTN-LSDHHAIUSA-N 2 0 290.407 2.620 20 30 CFEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423248991 238307938 /nfs/dbraw/zinc/30/79/38/238307938.db2.gz OBPZRUGNRZRNQJ-KSSFIOAISA-N 2 0 283.419 2.915 20 30 CFEDRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cccc(C#N)c1 ZINC000423264146 238320295 /nfs/dbraw/zinc/32/02/95/238320295.db2.gz YFUYBXKXMUURMP-KBPBESRZSA-N 2 0 257.381 2.599 20 30 CFEDRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000011094405 371917884 /nfs/dbraw/zinc/91/78/84/371917884.db2.gz VKRVZGYNBRVLLM-UHFFFAOYSA-N 2 0 279.387 2.910 20 30 CFEDRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(OCC#N)cc1 ZINC000037197119 372662378 /nfs/dbraw/zinc/66/23/78/372662378.db2.gz HHCIFORRAQZHKE-CQSZACIVSA-N 2 0 289.423 2.827 20 30 CFEDRP C=CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000037644235 372681933 /nfs/dbraw/zinc/68/19/33/372681933.db2.gz MSTMGXDGDVIXCH-MRXNPFEDSA-N 2 0 274.408 2.683 20 30 CFEDRP Cc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)ccc1C#N ZINC000487910474 245790363 /nfs/dbraw/zinc/79/03/63/245790363.db2.gz HYAYEXAWIUTKNW-UHFFFAOYSA-N 2 0 271.408 2.640 20 30 CFEDRP CC(C)c1cccc(NC(=[NH2+])NCCCC[NH+](C)C)c1 ZINC000264073582 383693121 /nfs/dbraw/zinc/69/31/21/383693121.db2.gz DWFMWXXNRCGOAR-UHFFFAOYSA-N 2 0 276.428 2.878 20 30 CFEDRP CC[NH+](CC)[C@@H](C)CNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000264103469 383697179 /nfs/dbraw/zinc/69/71/79/383697179.db2.gz OUADRCQPMPMBEO-AWEZNQCLSA-N 2 0 276.428 2.760 20 30 CFEDRP C=C(C)CNC(=[NH2+])NCc1ccccc1C[N@@H+](C)C(C)C ZINC000104162950 375771904 /nfs/dbraw/zinc/77/19/04/375771904.db2.gz NBEQLSVGPALYSU-UHFFFAOYSA-N 2 0 288.439 2.507 20 30 CFEDRP C[NH+](C)CC1CCC([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000119927436 376506820 /nfs/dbraw/zinc/50/68/20/376506820.db2.gz XVHRYSNNCBTODZ-UHFFFAOYSA-N 2 0 277.437 2.830 20 30 CFEDRP C[C@@H]1C[C@@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)CN1C1CC1 ZINC000127603759 377289756 /nfs/dbraw/zinc/28/97/56/377289756.db2.gz ACRYBZNZIUUPAX-ZVOPMHIBSA-N 2 0 295.430 2.825 20 30 CFEDRP C[C@H]1C[C@@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)CN1C1CC1 ZINC000127603975 377291078 /nfs/dbraw/zinc/29/10/78/377291078.db2.gz ACRYBZNZIUUPAX-CDRDHLPWSA-N 2 0 295.430 2.825 20 30 CFEDRP N#CCCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134900198 378061123 /nfs/dbraw/zinc/06/11/23/378061123.db2.gz XIPOWVCFFXAONL-ZBFHGGJFSA-N 2 0 261.413 2.629 20 30 CFEDRP N#CCSCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134906062 378062426 /nfs/dbraw/zinc/06/24/26/378062426.db2.gz MXWVYDLDOSYBKW-ZBFHGGJFSA-N 2 0 293.480 2.582 20 30 CFEDRP CC(C)(C#N)CCC[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000330365966 378538108 /nfs/dbraw/zinc/53/81/08/378538108.db2.gz UZVVXIBEFBJILO-UHFFFAOYSA-N 2 0 260.385 2.919 20 30 CFEDRP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(C#N)c(F)c2)CC1 ZINC000335560550 379513403 /nfs/dbraw/zinc/51/34/03/379513403.db2.gz UYNMNFATBYZDCY-UHFFFAOYSA-N 2 0 287.382 2.758 20 30 CFEDRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174273123 379855932 /nfs/dbraw/zinc/85/59/32/379855932.db2.gz OJSZOTPTZFQBLX-GJZGRUSLSA-N 2 0 289.423 2.999 20 30 CFEDRP C[N@@H+]1CC[C@]2(CC[NH+](CCC3(C#N)CCCCC3)C2)C1 ZINC000336279016 380305577 /nfs/dbraw/zinc/30/55/77/380305577.db2.gz NJZAVOFZVFJTRA-KRWDZBQOSA-N 2 0 275.440 2.878 20 30 CFEDRP C[N@@H+]1CC[C@@]2(CC[NH+](CCC3(C#N)CCCCC3)C2)C1 ZINC000336279017 380305877 /nfs/dbraw/zinc/30/58/77/380305877.db2.gz NJZAVOFZVFJTRA-QGZVFWFLSA-N 2 0 275.440 2.878 20 30 CFEDRP Cc1ccc2ncc(C[NH2+]CCc3cccc(C#N)c3)n2c1 ZINC000341472569 381032367 /nfs/dbraw/zinc/03/23/67/381032367.db2.gz CPRHYGOPHRHANO-UHFFFAOYSA-N 2 0 290.370 2.847 20 30 CFEDRP COc1cc(C[NH+]2CCC(c3c[nH]cn3)CC2)ccc1C#N ZINC000369116614 381196057 /nfs/dbraw/zinc/19/60/57/381196057.db2.gz MTXOBFYWRZYYTR-UHFFFAOYSA-N 2 0 296.374 2.670 20 30 CFEDRP C#Cc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000290404534 381414982 /nfs/dbraw/zinc/41/49/82/381414982.db2.gz POSIESYGRPGKPV-AYHJJNSGSA-N 2 0 268.404 2.773 20 30 CFEDRP C[C@H]([NH2+]CCCCC#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185693199 381706370 /nfs/dbraw/zinc/70/63/70/381706370.db2.gz KEHDVHJKEILOFK-LSDHHAIUSA-N 2 0 263.429 2.923 20 30 CFEDRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185881031 381765195 /nfs/dbraw/zinc/76/51/95/381765195.db2.gz INWYNOCAKASQAZ-WMLDXEAASA-N 2 0 271.408 2.920 20 30 CFEDRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c1 ZINC000185881048 381767157 /nfs/dbraw/zinc/76/71/57/381767157.db2.gz INWYNOCAKASQAZ-YOEHRIQHSA-N 2 0 271.408 2.920 20 30 CFEDRP C=CCCCCC[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373239488 381957336 /nfs/dbraw/zinc/95/73/36/381957336.db2.gz ARSGZIDOVGMBAP-SFHVURJKSA-N 2 0 293.499 2.833 20 30 CFEDRP CN1CC[C@@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)[C@@H]1c1cccnc1 ZINC000373203366 381947333 /nfs/dbraw/zinc/94/73/33/381947333.db2.gz FVNNQTOJNSRZCR-OWLYRPNTSA-N 2 0 298.434 2.746 20 30 CFEDRP C[NH+](C)CC1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000350175996 382008036 /nfs/dbraw/zinc/00/80/36/382008036.db2.gz LCPGORFUIYXACI-UHFFFAOYSA-N 2 0 251.418 2.590 20 30 CFEDRP C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343992063 382054469 /nfs/dbraw/zinc/05/44/69/382054469.db2.gz RBSZMLHZBSYZCP-GJZGRUSLSA-N 2 0 291.439 2.712 20 30 CFEDRP C=C(C)CC[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000351819502 382063426 /nfs/dbraw/zinc/06/34/26/382063426.db2.gz ASMZUBQHUOMQNP-JKSUJKDBSA-N 2 0 268.445 2.679 20 30 CFEDRP CC#CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000381990516 382527187 /nfs/dbraw/zinc/52/71/87/382527187.db2.gz OYZOTJGHAZQAHK-RBUKOAKNSA-N 2 0 282.431 2.854 20 30 CFEDRP C=CCN(Cc1ccc(OC)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000346840960 382538248 /nfs/dbraw/zinc/53/82/48/382538248.db2.gz GMPSPFKMLCKVPM-MRXNPFEDSA-N 2 0 274.408 2.683 20 30 CFEDRP C[N@H+](CCC[NH2+][C@@H]1CC[C@H](C#N)C1)C1CCCCC1 ZINC000442650634 382941243 /nfs/dbraw/zinc/94/12/43/382941243.db2.gz OEQWQDVLTMRBMA-LSDHHAIUSA-N 2 0 263.429 2.923 20 30 CFEDRP CC(C)[NH+](CCC[NH2+][C@@H]1CC[C@H](C#N)C1)C(C)C ZINC000442797134 382958151 /nfs/dbraw/zinc/95/81/51/382958151.db2.gz VCLYZHFOQOKTLR-LSDHHAIUSA-N 2 0 251.418 2.777 20 30 CFEDRP C=CCCC[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000539248124 382961525 /nfs/dbraw/zinc/96/15/25/382961525.db2.gz LDAVOWJVZOWOGT-ROUUACIJSA-N 2 0 293.499 2.832 20 30 CFEDRP C[C@H]1C[C@H](NCC2(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000578398181 382917539 /nfs/dbraw/zinc/91/75/39/382917539.db2.gz GBWHSHZWACKANY-DOTOQJQBSA-N 2 0 283.419 2.933 20 30 CFEDRP C[C@@H](CCCC[NH3+])[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000423024645 383017154 /nfs/dbraw/zinc/01/71/54/383017154.db2.gz JVPSPHWGFBMODB-ZDUSSCGKSA-N 2 0 257.381 2.654 20 30 CFEDRP C[NH+](C)CC1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000446765323 382993340 /nfs/dbraw/zinc/99/33/40/382993340.db2.gz CVYLAZKJKPIATH-UHFFFAOYSA-N 2 0 290.838 2.965 20 30 CFEDRP C[C@@H]([NH2+]CC1CCC(C#N)CC1)C1CC[NH+](C)CC1 ZINC000619673835 383146653 /nfs/dbraw/zinc/14/66/53/383146653.db2.gz KTRXFBYOHADBNT-WLYUNCDWSA-N 2 0 263.429 2.636 20 30 CFEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000246645213 383089499 /nfs/dbraw/zinc/08/94/99/383089499.db2.gz CLXNPUIQPNRIMY-ROUUACIJSA-N 2 0 294.483 2.757 20 30 CFEDRP N#C[C@H]1CC[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000583815916 383092998 /nfs/dbraw/zinc/09/29/98/383092998.db2.gz FEPVXVMYKPRKPB-HOTGVXAUSA-N 2 0 284.407 2.580 20 30 CFEDRP C[C@@H]1C[C@@H](CC[NH2+]CCC#N)C[N@@H+]1Cc1ccccc1 ZINC000566117358 383184192 /nfs/dbraw/zinc/18/41/92/383184192.db2.gz UNKYUVAGXKHOOY-NVXWUHKLSA-N 2 0 271.408 2.790 20 30 CFEDRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000555337339 383147926 /nfs/dbraw/zinc/14/79/26/383147926.db2.gz PWOSWAREERXEPN-JKSUJKDBSA-N 2 0 263.429 2.731 20 30 CFEDRP C=CCCCC[C@@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000449079670 383164944 /nfs/dbraw/zinc/16/49/44/383164944.db2.gz ZUDXKDJWOKETQW-MRXNPFEDSA-N 2 0 281.488 2.737 20 30 CFEDRP C=CCC[C@H](O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248576803 383264631 /nfs/dbraw/zinc/26/46/31/383264631.db2.gz NOONBXYZMKKQTC-VYDXJSESSA-N 2 0 280.456 2.556 20 30 CFEDRP C=CC[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471842829 383380004 /nfs/dbraw/zinc/38/00/04/383380004.db2.gz DKUUOEKKUWWCFN-IRXDYDNUSA-N 2 0 258.409 2.845 20 30 CFEDRP C=CCCC[N@@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435721036 383779216 /nfs/dbraw/zinc/77/92/16/383779216.db2.gz ATBFQVPKGRMORM-AWEZNQCLSA-N 2 0 279.453 2.829 20 30 CFEDRP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000436279949 383799245 /nfs/dbraw/zinc/79/92/45/383799245.db2.gz AQECMVWVSUHRMZ-GDBMZVCRSA-N 2 0 280.456 2.820 20 30 CFEDRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OCC#N)cc3)CC[C@H]21 ZINC000268997966 384708287 /nfs/dbraw/zinc/70/82/87/384708287.db2.gz OCXVAMIBBUERDI-SJLPKXTDSA-N 2 0 299.418 2.505 20 30 CFEDRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)CC1 ZINC000270417896 385095766 /nfs/dbraw/zinc/09/57/66/385095766.db2.gz FUPUTHSBLCUKTN-SFHVURJKSA-N 2 0 283.419 2.722 20 30 CFEDRP CCC#C[C@H](C)[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000682535776 542564562 /nfs/dbraw/zinc/56/45/62/542564562.db2.gz IPOQYZMCWCVUHV-ULQDDVLXSA-N 2 0 280.456 2.515 20 30 CFEDRP Cc1cc(C#N)ccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000186239200 393541599 /nfs/dbraw/zinc/54/15/99/393541599.db2.gz GFSLTBSBKVLBEW-MRXNPFEDSA-N 2 0 271.408 2.640 20 30 CFEDRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000335600362 393682764 /nfs/dbraw/zinc/68/27/64/393682764.db2.gz LCZXKJUWRFYPNR-WEOZKBJRSA-N 2 0 297.446 2.978 20 30 CFEDRP C=C(C)C[N@@H+](CC)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346172250 393922989 /nfs/dbraw/zinc/92/29/89/393922989.db2.gz LGTUSQHBSDWCAV-UHFFFAOYSA-N 2 0 270.380 2.974 20 30 CFEDRP C[NH+](C)C1CCC([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000421376093 394208697 /nfs/dbraw/zinc/20/86/97/394208697.db2.gz REFPYRWIDHSUIR-UHFFFAOYSA-N 2 0 263.410 2.582 20 30 CFEDRP N#CCC1(C[NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000366817735 394248000 /nfs/dbraw/zinc/24/80/00/394248000.db2.gz CXJDZQVCVCZDLY-UHFFFAOYSA-N 2 0 261.413 2.677 20 30 CFEDRP C=CCCCC[C@@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648450309 395148778 /nfs/dbraw/zinc/14/87/78/395148778.db2.gz AFUKVGWTSLIGSU-IAGOWNOFSA-N 2 0 293.499 2.879 20 30 CFEDRP C=C(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000647793838 395431534 /nfs/dbraw/zinc/43/15/34/395431534.db2.gz JPDGETNPYCKSRC-YESZJQIVSA-N 2 0 256.393 2.678 20 30 CFEDRP C=CCOCCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000348027804 397657781 /nfs/dbraw/zinc/65/77/81/397657781.db2.gz GKTKGPJQWWBEHT-HZPDHXFCSA-N 2 0 280.456 2.822 20 30 CFEDRP N#Cc1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1F ZINC000373812075 157032567 /nfs/dbraw/zinc/03/25/67/157032567.db2.gz KEAYAOAUWYYWBQ-NUJGCVRESA-N 2 0 299.393 2.613 20 30 CFEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000353422491 163362548 /nfs/dbraw/zinc/36/25/48/163362548.db2.gz BWAGAYNBNGFFGH-KSSFIOAISA-N 2 0 281.403 2.619 20 30 CFEDRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000020129004 171016168 /nfs/dbraw/zinc/01/61/68/171016168.db2.gz RJTWZSIKYDKUPK-AWEZNQCLSA-N 2 0 257.381 2.695 20 30 CFEDRP C=CCCC[C@@H](C)[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660697225 413505115 /nfs/dbraw/zinc/50/51/15/413505115.db2.gz VSXNSTKLXFGTDG-MRXNPFEDSA-N 2 0 282.472 2.804 20 30 CFEDRP C=CCC(C)(C)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657473680 413651649 /nfs/dbraw/zinc/65/16/49/413651649.db2.gz OWPXRCVCPHJZNS-UHFFFAOYSA-N 2 0 270.380 2.959 20 30 CFEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCN(CCCO)C1 ZINC000658026448 414112854 /nfs/dbraw/zinc/11/28/54/414112854.db2.gz UOLXHMSDSCPZPQ-IXDOHACOSA-N 2 0 280.456 2.558 20 30 CFEDRP C=CCC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658140016 414231485 /nfs/dbraw/zinc/23/14/85/414231485.db2.gz RWIQZIYQRQILKK-QAPCUYQASA-N 2 0 288.435 2.698 20 30 CFEDRP C=CCCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])CCCC1 ZINC000665236267 414194695 /nfs/dbraw/zinc/19/46/95/414194695.db2.gz JMSIAMZYILCWIK-ARFHVFGLSA-N 2 0 280.456 2.855 20 30 CFEDRP C=CCCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])CCCC1 ZINC000665236268 414194807 /nfs/dbraw/zinc/19/48/07/414194807.db2.gz JMSIAMZYILCWIK-BZUAXINKSA-N 2 0 280.456 2.855 20 30 CFEDRP C=CC1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662255881 414478489 /nfs/dbraw/zinc/47/84/89/414478489.db2.gz SBZJANTYYAZJNR-UHFFFAOYSA-N 2 0 256.393 2.730 20 30 CFEDRP CC1(C#N)CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000449092281 260210460 /nfs/dbraw/zinc/21/04/60/260210460.db2.gz TYAFLENREHDUCH-PWUWZPNHSA-N 2 0 261.413 2.675 20 30 CFEDRP CCCCCCNC(=[NH2+])NCc1cccc(C[NH+](C)C)c1 ZINC000104171736 260619944 /nfs/dbraw/zinc/61/99/44/260619944.db2.gz UIUWIAZRYGUHEI-UHFFFAOYSA-N 2 0 290.455 2.733 20 30 CFEDRP C[NH+]1CCC(C)(C[NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC000318549843 261244459 /nfs/dbraw/zinc/24/44/59/261244459.db2.gz MZFYAHUYNUQHCZ-UHFFFAOYSA-N 2 0 297.446 2.932 20 30 CFEDRP C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC000423010107 269845261 /nfs/dbraw/zinc/84/52/61/269845261.db2.gz WZNDTSJWRLFNEG-WOSRLPQWSA-N 2 0 257.381 2.597 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000414813762 263053282 /nfs/dbraw/zinc/05/32/82/263053282.db2.gz YQWZBARMFVBRBP-RDJZCZTQSA-N 2 0 274.408 2.859 20 30 CFEDRP C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288693176 263105516 /nfs/dbraw/zinc/10/55/16/263105516.db2.gz KFDUFHMROSMWPG-NSHDSACASA-N 2 0 296.365 2.566 20 30 CFEDRP C=CCOc1cccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c1 ZINC000414913772 263119121 /nfs/dbraw/zinc/11/91/21/263119121.db2.gz WQRWFWZCGNQPGF-QGZVFWFLSA-N 2 0 274.408 2.731 20 30 CFEDRP C=CCOc1ccc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414984767 263182409 /nfs/dbraw/zinc/18/24/09/263182409.db2.gz AOZKYDOXLABQSL-HOTGVXAUSA-N 2 0 274.408 2.859 20 30 CFEDRP C=CCOc1cccc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414987876 263184774 /nfs/dbraw/zinc/18/47/74/263184774.db2.gz FDEDVUIUUOFBIR-GDBMZVCRSA-N 2 0 274.408 2.859 20 30 CFEDRP C=CCOc1ccccc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415004246 263209073 /nfs/dbraw/zinc/20/90/73/263209073.db2.gz YCGABKNJLQEXKI-GDBMZVCRSA-N 2 0 274.408 2.859 20 30 CFEDRP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(C#N)cc1 ZINC000423400841 288090146 /nfs/dbraw/zinc/09/01/46/288090146.db2.gz QKSPBLCOPKDPKE-RCBQFDQVSA-N 2 0 257.381 2.597 20 30 CFEDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000336224629 289303451 /nfs/dbraw/zinc/30/34/51/289303451.db2.gz SPAFYIWMZOMNQK-LVDPKSTMSA-N 2 0 263.429 2.921 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000271531775 328196653 /nfs/dbraw/zinc/19/66/53/328196653.db2.gz WXOQCGYSXPJHBS-SUNYJGFJSA-N 2 0 299.418 2.722 20 30 CFEDRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCC[C@H](C#N)C2)C[C@@H](C)O1 ZINC000185843021 329330293 /nfs/dbraw/zinc/33/02/93/329330293.db2.gz OOBRQBQGIKCHGU-WCXIOVBPSA-N 2 0 293.455 2.548 20 30 CFEDRP CC1CC[NH+](CCC[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185760569 329331259 /nfs/dbraw/zinc/33/12/59/329331259.db2.gz GSNQEWZPXAZAIS-CVEARBPZSA-N 2 0 263.429 2.780 20 30 CFEDRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000423154411 330173074 /nfs/dbraw/zinc/17/30/74/330173074.db2.gz HQUKVKHFDFPXOA-BSWAZPDLSA-N 2 0 271.408 2.617 20 30 CFEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000423153174 330173205 /nfs/dbraw/zinc/17/32/05/330173205.db2.gz GHFGGAOSLZESPQ-APYUEPQZSA-N 2 0 255.365 2.803 20 30 CFEDRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000423157618 330173304 /nfs/dbraw/zinc/17/33/04/330173304.db2.gz MTNLAAMJNIAPLU-JONQDZQNSA-N 2 0 263.429 2.969 20 30 CFEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423155247 330173431 /nfs/dbraw/zinc/17/34/31/330173431.db2.gz QIVRMJVYATYLBB-JONQDZQNSA-N 2 0 266.429 2.620 20 30 CFEDRP C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423191922 330175939 /nfs/dbraw/zinc/17/59/39/330175939.db2.gz UECAPMBLPXOMHK-OIISXLGYSA-N 2 0 258.409 2.904 20 30 CFEDRP C[C@@H]([NH3+])[C@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423454973 330203307 /nfs/dbraw/zinc/20/33/07/330203307.db2.gz ZUDDJPSDMNRGGS-VBJONLRCSA-N 2 0 271.408 2.716 20 30 CFEDRP CCC[NH+]1CCC([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449221652 330907179 /nfs/dbraw/zinc/90/71/79/330907179.db2.gz UIVZNQUGGMYELS-UHFFFAOYSA-N 2 0 263.429 2.923 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@H]2CCC[C@H]21 ZINC000453287426 331111425 /nfs/dbraw/zinc/11/14/25/331111425.db2.gz FWLRUPSYHUDHTG-ARKGTOAJSA-N 2 0 261.413 2.531 20 30 CFEDRP C=CCCC[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000189995806 333201350 /nfs/dbraw/zinc/20/13/50/333201350.db2.gz NXNUEWFXAVSCQS-HZPDHXFCSA-N 2 0 268.445 2.679 20 30 CFEDRP C[C@H](CC#N)[NH+](C)CCCCC[N@@H+](C)[C@H](C)CC#N ZINC000247775395 334290304 /nfs/dbraw/zinc/29/03/04/334290304.db2.gz WRXYCIWAHHCFBD-HUUCEWRRSA-N 2 0 264.417 2.625 20 30 CFEDRP C=CCOc1cccc(C[NH+]2CCC(C[NH2+]C)CC2)c1 ZINC000347084484 526898608 /nfs/dbraw/zinc/89/86/08/526898608.db2.gz CCAPCMZXHLMVMZ-UHFFFAOYSA-N 2 0 274.408 2.683 20 30 CFEDRP C=CCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000344632016 526904045 /nfs/dbraw/zinc/90/40/45/526904045.db2.gz PKKAXNQRMVEODN-GDBMZVCRSA-N 2 0 274.408 2.824 20 30 CFEDRP C#CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCC)C2)cc1 ZINC000113326794 527105466 /nfs/dbraw/zinc/10/54/66/527105466.db2.gz ATHUTZPEEFAQMX-QGZVFWFLSA-N 2 0 286.419 2.520 20 30 CFEDRP C[N@H+](CCCC[NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC000453594979 536338690 /nfs/dbraw/zinc/33/86/90/536338690.db2.gz JBDGWRAXFFVCCP-UHFFFAOYSA-N 2 0 257.381 2.522 20 30 CFEDRP C#CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000742375406 574325525 /nfs/dbraw/zinc/32/55/25/574325525.db2.gz RSBLDWIBISAKDQ-DOTOQJQBSA-N 2 0 286.419 2.661 20 30 CFEDRP CCNC(NCCCCCCC[NH+]1CCCC1)=[NH+]CC ZINC000727241470 618468200 /nfs/dbraw/zinc/46/82/00/618468200.db2.gz QFPHRVUUDNJSRS-UHFFFAOYSA-N 2 0 282.476 2.608 20 30 CFEDRP C[C@H](CCC#N)C[N@@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000895382067 618560704 /nfs/dbraw/zinc/56/07/04/618560704.db2.gz ZKJAFTAGPQSPSZ-BZUAXINKSA-N 2 0 265.445 2.978 20 30 CFEDRP C=C(C)CN1CCC([NH2+]Cc2cnc(F)cc2C)CC1 ZINC000892881180 618762581 /nfs/dbraw/zinc/76/25/81/618762581.db2.gz QDHKIXOSVBKQJK-UHFFFAOYSA-N 2 0 277.387 2.659 20 30 CFEDRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000925694558 618941898 /nfs/dbraw/zinc/94/18/98/618941898.db2.gz UORFGZRUZVAYGY-UONOGXRCSA-N 2 0 275.371 2.693 20 30 CFEDRP CC(C)(CC#N)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925696148 618948253 /nfs/dbraw/zinc/94/82/53/618948253.db2.gz STZDJAGUPNNOLF-GJZGRUSLSA-N 2 0 263.429 2.684 20 30 CFEDRP C#CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000747532010 619254498 /nfs/dbraw/zinc/25/44/98/619254498.db2.gz QRVVWUFOOOSFJK-SFHVURJKSA-N 2 0 268.404 2.608 20 30 CFEDRP CC1CC[NH+](CCCCNC(=[NH2+])N2CCCCCC2)CC1 ZINC000305040281 619986519 /nfs/dbraw/zinc/98/65/19/619986519.db2.gz COQAKLYRLQHHBZ-UHFFFAOYSA-N 2 0 294.487 2.689 20 30 CFEDRP C[NH+](C)CC(C)(C)C[N@H+](C)CC(C)(C)CCC#N ZINC000898307930 620370194 /nfs/dbraw/zinc/37/01/94/620370194.db2.gz JEEGUDDGKJDSDY-UHFFFAOYSA-N 2 0 253.434 2.836 20 30 CFEDRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)C1 ZINC000902368071 621043358 /nfs/dbraw/zinc/04/33/58/621043358.db2.gz FNPRFLFAITUNAR-MRXNPFEDSA-N 2 0 283.419 2.915 20 30 CFEDRP C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(OCC[NH+](C)C)cc1 ZINC000903100774 621252705 /nfs/dbraw/zinc/25/27/05/621252705.db2.gz XJYTUKNNCIEGEQ-CQSZACIVSA-N 2 0 289.423 2.827 20 30 CFEDRP CC[NH2+]CC1CC[NH+](Cc2c(C)cc(C#N)cc2C)CC1 ZINC000903425307 621370582 /nfs/dbraw/zinc/37/05/82/621370582.db2.gz ZXVPCCVFZOCYMR-UHFFFAOYSA-N 2 0 285.435 2.997 20 30 CFEDRP CCCN(Cc1c(C)cc(C#N)cc1C)[C@@H]1CC[NH2+]C1 ZINC000903423813 621378930 /nfs/dbraw/zinc/37/89/30/621378930.db2.gz ZPZVPPYAFXNQSZ-MRXNPFEDSA-N 2 0 271.408 2.749 20 30 CFEDRP C[C@@H]1C[C@H](C)[N@H+](CC2CCC(C#N)CC2)C[C@H]1C[NH3+] ZINC000903459953 621381143 /nfs/dbraw/zinc/38/11/43/621381143.db2.gz RXUWFMDVPHXYDQ-AKZYDZMLSA-N 2 0 263.429 2.622 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000903452424 621387156 /nfs/dbraw/zinc/38/71/56/621387156.db2.gz LQCZIUSAMVLPPH-SFHVURJKSA-N 2 0 297.446 2.997 20 30 CFEDRP N#CC1CCC(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000903481970 621391880 /nfs/dbraw/zinc/39/18/80/621391880.db2.gz SGDVNNRDRJBCLA-JCYILVPMSA-N 2 0 275.440 2.782 20 30 CFEDRP N#CC1CCC(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000903481657 621391997 /nfs/dbraw/zinc/39/19/97/621391997.db2.gz IULQTQXQCOTYRP-YMAMQOFZSA-N 2 0 261.413 2.581 20 30 CFEDRP N#CC1(CCCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)CCC1 ZINC000903753058 621433075 /nfs/dbraw/zinc/43/30/75/621433075.db2.gz ZJDRBGZFKGVTOW-QGZVFWFLSA-N 2 0 275.440 2.926 20 30 CFEDRP N#CC1(CCCC[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCC1 ZINC000903763217 621436705 /nfs/dbraw/zinc/43/67/05/621436705.db2.gz IQFFWOTZOGNUEA-RDJZCZTQSA-N 2 0 275.440 2.911 20 30 CFEDRP CC(C)(C[NH3+])C1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000903791341 621438978 /nfs/dbraw/zinc/43/89/78/621438978.db2.gz UIUDIZUOBMSCSY-UHFFFAOYSA-N 2 0 285.435 2.798 20 30 CFEDRP CC1(C)CC[NH2+]CC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903778657 621440104 /nfs/dbraw/zinc/44/01/04/621440104.db2.gz QMSBYTGIVNBGGV-UHFFFAOYSA-N 2 0 263.429 2.924 20 30 CFEDRP N#Cc1ccc(C2CC[NH+](C[C@H]3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000903822994 621449640 /nfs/dbraw/zinc/44/96/40/621449640.db2.gz BCNOHOIVHWFLLB-MAUKXSAKSA-N 2 0 283.419 2.865 20 30 CFEDRP N#CC1(C[NH2+]Cc2cccc3c2CC[NH2+]C3)CCCCC1 ZINC000903933244 621477348 /nfs/dbraw/zinc/47/73/48/621477348.db2.gz MXKCGPMJZXXJDS-UHFFFAOYSA-N 2 0 283.419 2.896 20 30 CFEDRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000903949398 621486358 /nfs/dbraw/zinc/48/63/58/621486358.db2.gz AMKSRCSISABNRZ-DVOMOZLQSA-N 2 0 257.381 2.739 20 30 CFEDRP C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904410907 621592021 /nfs/dbraw/zinc/59/20/21/621592021.db2.gz HLKQIZXOISPDOZ-CABCVRRESA-N 2 0 274.408 2.668 20 30 CFEDRP C=CCSCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000231933677 623375455 /nfs/dbraw/zinc/37/54/55/623375455.db2.gz YHEMWEBBFTWRAZ-UONOGXRCSA-N 2 0 256.459 2.806 20 30 CFEDRP C[NH+](C)C[C@@H]1CC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000929637307 623497931 /nfs/dbraw/zinc/49/79/31/623497931.db2.gz HJIRDLZSEZLPGZ-HNNXBMFYSA-N 2 0 263.429 2.734 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000929637828 623498795 /nfs/dbraw/zinc/49/87/95/623498795.db2.gz QCBZTGNZKPRRFI-HNNXBMFYSA-N 2 0 271.408 2.559 20 30 CFEDRP C#CC[N@H+](C)CCCNc1nccc2cc(F)ccc21 ZINC000826108751 623794231 /nfs/dbraw/zinc/79/42/31/623794231.db2.gz OAMLUGMRIPCGKW-UHFFFAOYSA-N 2 0 271.339 2.741 20 30 CFEDRP Cc1ccc(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1C#N ZINC000922760270 626359678 /nfs/dbraw/zinc/35/96/78/626359678.db2.gz QZSBPLODVBLIIZ-INIZCTEOSA-N 2 0 271.408 2.829 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923491929 626476804 /nfs/dbraw/zinc/47/68/04/626476804.db2.gz KQTPQGLGTGNSQC-ZBFHGGJFSA-N 2 0 271.408 2.592 20 30 CFEDRP C#C[C@@H](C)[NH+](C)Cc1ccccc1C[N@@H+](C)[C@@H](C)C#C ZINC000769962101 627492317 /nfs/dbraw/zinc/49/23/17/627492317.db2.gz XNZRPVPCROMDMK-IYBDPMFKSA-N 2 0 268.404 2.594 20 30 CFEDRP C#CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000796816883 629971690 /nfs/dbraw/zinc/97/16/90/629971690.db2.gz NBLJLGSGNUEUFU-KSZLIROESA-N 2 0 298.430 2.661 20 30 CFEDRP C[NH+]1CCC2(CCC[N@H+](Cc3cc(C#N)cs3)C2)CC1 ZINC000798956916 630263760 /nfs/dbraw/zinc/26/37/60/630263760.db2.gz QAMFEJMMYSJQLM-UHFFFAOYSA-N 2 0 289.448 2.928 20 30 CFEDRP C=CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccncc1 ZINC000843341383 631931413 /nfs/dbraw/zinc/93/14/13/631931413.db2.gz CNDCLBJPBPVGSZ-VQHPVUNQSA-N 2 0 271.408 2.677 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000844923509 632337984 /nfs/dbraw/zinc/33/79/84/632337984.db2.gz GZMXBQDBKQKFDX-OAHLLOKOSA-N 2 0 286.419 2.739 20 30 CFEDRP C=CCc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc(OC)c1OC ZINC000817908721 632730089 /nfs/dbraw/zinc/73/00/89/632730089.db2.gz IAQRNTBVAZWKGQ-CHWSQXEVSA-N 2 0 292.423 2.648 20 30 CFEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000817916998 632733445 /nfs/dbraw/zinc/73/34/45/632733445.db2.gz CKPYLUNIHOIHLG-GDBMZVCRSA-N 2 0 289.423 2.975 20 30 CFEDRP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(OCC#N)cc1 ZINC000817985490 632781779 /nfs/dbraw/zinc/78/17/79/632781779.db2.gz KPZAGOXHGZYIIR-HOCLYGCPSA-N 2 0 299.418 2.914 20 30 CFEDRP C[C@@H]1CCC[C@](CNC(=[NH2+])Nc2ccccc2)([NH+](C)C)C1 ZINC000203057128 637378390 /nfs/dbraw/zinc/37/83/90/637378390.db2.gz AUMNVKCYMQLSHF-PBHICJAKSA-N 2 0 288.439 2.924 20 30 CFEDRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000866516542 638834585 /nfs/dbraw/zinc/83/45/85/638834585.db2.gz BRWWWKJDGLCYBJ-CIDNJEQPSA-N 2 0 263.429 2.921 20 30 CFEDRP C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000872139326 641667112 /nfs/dbraw/zinc/66/71/12/641667112.db2.gz JHPMZYZGCGXNML-HHARLNAUSA-N 2 0 260.425 2.641 20 30 CFEDRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C#N)c(F)c1 ZINC000873266031 642109179 /nfs/dbraw/zinc/10/91/79/642109179.db2.gz YWMFEWDTVKGFGN-RKLWJJNISA-N 2 0 287.382 2.879 20 30 CFEDRP C=CC(C)(C)CCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000873281368 642117264 /nfs/dbraw/zinc/11/72/64/642117264.db2.gz ZYBLNWQWEODOAZ-OWCLPIDISA-N 2 0 280.456 2.726 20 30 CFEDRP C=CCC[C@H](CCC)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290756 642123100 /nfs/dbraw/zinc/12/31/00/642123100.db2.gz HGZXBAOFLKEUOI-HOTGVXAUSA-N 2 0 280.456 2.870 20 30 CFEDRP C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290755 642123210 /nfs/dbraw/zinc/12/32/10/642123210.db2.gz HGZXBAOFLKEUOI-CVEARBPZSA-N 2 0 280.456 2.870 20 30 CFEDRP C=CCCCC[C@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291454 642123958 /nfs/dbraw/zinc/12/39/58/642123958.db2.gz HAFTWXIGVWNVTK-HOTGVXAUSA-N 2 0 280.456 2.870 20 30 CFEDRP C#CCCCCCC[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000877524648 643328704 /nfs/dbraw/zinc/32/87/04/643328704.db2.gz AFJIMJBTIQBAET-MRXNPFEDSA-N 2 0 250.430 2.890 20 30 CFEDRP C=CC(C)(C)CCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000877804091 643565508 /nfs/dbraw/zinc/56/55/08/643565508.db2.gz NONBNARINOQHEP-UHFFFAOYSA-N 2 0 282.472 2.804 20 30 CFEDRP C#CCCCCC[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000878162436 643768610 /nfs/dbraw/zinc/76/86/10/643768610.db2.gz NGVCHDXBCYNRBD-INIZCTEOSA-N 2 0 250.430 2.844 20 30 CFEDRP C#CCCCCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000878257163 643810969 /nfs/dbraw/zinc/81/09/69/643810969.db2.gz FOOMLMVPZPCKNI-HZPDHXFCSA-N 2 0 250.430 2.842 20 30 CFEDRP CCc1ccc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000303906383 651008128 /nfs/dbraw/zinc/00/81/28/651008128.db2.gz ZYAWREJAYPRPFY-CQSZACIVSA-N 2 0 288.439 2.708 20 30 CFEDRP C[C@H]1CCCN(C(=[NH2+])NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000303898543 651008300 /nfs/dbraw/zinc/00/83/00/651008300.db2.gz RARNLMZIWWQURN-HOTGVXAUSA-N 2 0 294.487 2.545 20 30 CFEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=[NH2+])NC2CCCCC2)C1 ZINC000303881154 651005892 /nfs/dbraw/zinc/00/58/92/651005892.db2.gz HMNXVUAPDSYNDU-GASCZTMLSA-N 2 0 294.487 2.591 20 30 CFEDRP Cc1cccc(NC(=[NH2+])NCc2cccc(C[NH+](C)C)c2)c1 ZINC000303911260 651008764 /nfs/dbraw/zinc/00/87/64/651008764.db2.gz ZJPHYFVJQBKYRJ-UHFFFAOYSA-N 2 0 296.418 2.983 20 30 CFEDRP C=CCC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)[C@@H]1CCCO1 ZINC000883174218 645640658 /nfs/dbraw/zinc/64/06/58/645640658.db2.gz FLWWZUIYFWCHDA-IKGGRYGDSA-N 2 0 280.456 2.822 20 30 CFEDRP CC(C)[NH+](CCCNC(=[NH2+])NC1CCCCC1)C(C)C ZINC000304687575 651030516 /nfs/dbraw/zinc/03/05/16/651030516.db2.gz IPMRJIINDGNCRE-UHFFFAOYSA-N 2 0 282.476 2.732 20 30 CFEDRP C=CCC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CCCO1 ZINC000883195147 645655217 /nfs/dbraw/zinc/65/52/17/645655217.db2.gz LRWZCXLOXVKQNQ-WCXIOVBPSA-N 2 0 280.456 2.963 20 30 CFEDRP CCN(CC)C(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000304757159 651032477 /nfs/dbraw/zinc/03/24/77/651032477.db2.gz OMDXTNZZNRBBHC-INIZCTEOSA-N 2 0 294.487 2.688 20 30 CFEDRP C=CCC[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)[C@H]1CCCO1 ZINC000883229046 645679371 /nfs/dbraw/zinc/67/93/71/645679371.db2.gz ZMKNCSRSNZIXKL-DLBZAZTESA-N 2 0 285.391 2.938 20 30 CFEDRP C=CCC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H]1CCCO1 ZINC000883230438 645680243 /nfs/dbraw/zinc/68/02/43/645680243.db2.gz GTJZKJYAEQUHAU-BACDZXNISA-N 2 0 280.456 2.963 20 30 CFEDRP Cc1cccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000304987195 651039626 /nfs/dbraw/zinc/03/96/26/651039626.db2.gz BRKGLZQRPYOPKD-HNNXBMFYSA-N 2 0 288.439 2.700 20 30 CFEDRP C=C(C)C[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000883390154 645788456 /nfs/dbraw/zinc/78/84/56/645788456.db2.gz GRCLQZDFRXUKOM-NXHRZFHOSA-N 2 0 294.483 2.946 20 30 CFEDRP C=C(C)C[C@H](CO)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886652036 647090312 /nfs/dbraw/zinc/09/03/12/647090312.db2.gz XJEFHUKLOADCNL-AQFXKWCLSA-N 2 0 280.456 2.700 20 30 CFEDRP CCC1([NH+]2CCC2)CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000886715691 647120291 /nfs/dbraw/zinc/12/02/91/647120291.db2.gz BBMIZWGUZSXHEX-HUUCEWRRSA-N 2 0 261.413 2.629 20 30 CFEDRP CSc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1C#N ZINC000925771288 648314649 /nfs/dbraw/zinc/31/46/49/648314649.db2.gz APXBVMKIHCMLCS-GJZGRUSLSA-N 2 0 287.432 2.640 20 30 CFEDRP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000926567770 648536484 /nfs/dbraw/zinc/53/64/84/648536484.db2.gz NECOIYTXSSXZND-LBPRGKRZSA-N 2 0 256.353 2.752 20 30 CFEDRP C=CC(C)(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926749047 648600540 /nfs/dbraw/zinc/60/05/40/648600540.db2.gz WWVODMFSFWMFSM-MQVJKMGUSA-N 2 0 280.456 2.820 20 30 CFEDRP C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926864289 648638725 /nfs/dbraw/zinc/63/87/25/648638725.db2.gz NNXRZQLIHIAZOX-WMLDXEAASA-N 2 0 276.424 2.726 20 30 CFEDRP Cc1cc(C#N)cc(C)c1CN1CCc2[nH+]ccc(N)c2C1 ZINC000931515998 649445163 /nfs/dbraw/zinc/44/51/63/649445163.db2.gz FYCREQBGGWKTFZ-UHFFFAOYSA-N 2 0 292.386 2.711 20 30 CFEDRP C[C@@H](CCNC(=[NH2+])NC1CCCCCC1)[NH+]1CCCCC1 ZINC000305838399 651084687 /nfs/dbraw/zinc/08/46/87/651084687.db2.gz XXJPMACOUZIDSR-HNNXBMFYSA-N 2 0 294.487 2.878 20 30 CFEDRP CCc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)ccc1C#N ZINC001206810889 770008950 /nfs/dbraw/zinc/00/89/50/770008950.db2.gz QNICLJPZTIGVFQ-HIFRSBDPSA-N 2 0 271.408 2.680 20 30 CFEDRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(S)CC1 ZINC001167838369 776590996 /nfs/dbraw/zinc/59/09/96/776590996.db2.gz TZVNGFBAGOSLQD-ZDUSSCGKSA-N 2 0 258.475 2.891 20 30 CFEDRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001167838874 776591325 /nfs/dbraw/zinc/59/13/25/776591325.db2.gz XAZIFHJGQCLDIX-CABCVRRESA-N 2 0 251.418 2.732 20 30 CFEDRP C#Cc1cccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1 ZINC001231661522 777298093 /nfs/dbraw/zinc/29/80/93/777298093.db2.gz VJAQKDFZOISQNE-UHFFFAOYSA-N 2 0 282.431 2.976 20 30 CFEDRP C[NH+]1CCC2(CC[N@H+](Cc3cc(F)ccc3C#N)C2)CC1 ZINC001232893188 777709414 /nfs/dbraw/zinc/70/94/14/777709414.db2.gz QSVYLFXLDUOULI-UHFFFAOYSA-N 2 0 287.382 2.615 20 30 CFEDRP CCCCCCCCC[N@@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001234969639 778343047 /nfs/dbraw/zinc/34/30/47/778343047.db2.gz AJWIHJDSTMVWKC-HZPDHXFCSA-N 2 0 268.445 2.657 20 30 CFEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001235032433 778360412 /nfs/dbraw/zinc/36/04/12/778360412.db2.gz POCLZGGDEWYJJB-IAGOWNOFSA-N 2 0 260.425 2.974 20 30 CFEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@]3(CNCCO3)C2)CC1 ZINC001235113313 778385802 /nfs/dbraw/zinc/38/58/02/778385802.db2.gz CFRDHHJZQFBOSS-MSOLQXFVSA-N 2 0 290.451 2.743 20 30 CFEDRP C=CCCCCC[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235403536 778477980 /nfs/dbraw/zinc/47/79/80/778477980.db2.gz KZIFEKSQZNRQOL-LSDHHAIUSA-N 2 0 254.393 2.756 20 30 CFEDRP N#CCc1ccccc1CN1CCC([NH+]2CCCC2)CC1 ZINC001235511303 778508583 /nfs/dbraw/zinc/50/85/83/778508583.db2.gz GTFIBBMBUQXAJV-UHFFFAOYSA-N 2 0 283.419 2.813 20 30 CFEDRP C=CCc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1O ZINC001237391120 779092637 /nfs/dbraw/zinc/09/26/37/779092637.db2.gz KNDXJDVJJXGABB-DOTOQJQBSA-N 2 0 286.419 2.695 20 30 CFEDRP C=CCOc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205093644 779161570 /nfs/dbraw/zinc/16/15/70/779161570.db2.gz DANVYNFUGOPUKU-HNNXBMFYSA-N 2 0 260.381 2.565 20 30 CFEDRP C=CCOc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205093645 779161790 /nfs/dbraw/zinc/16/17/90/779161790.db2.gz DANVYNFUGOPUKU-OAHLLOKOSA-N 2 0 260.381 2.565 20 30 CFEDRP N#Cc1ccc(/C=C/c2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1 ZINC001239297104 779505075 /nfs/dbraw/zinc/50/50/75/779505075.db2.gz LCJBOIPLAZRBGW-AATRIKPKSA-N 2 0 290.370 2.533 20 30 CFEDRP CCCCCCC[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166626643 781779975 /nfs/dbraw/zinc/77/99/75/781779975.db2.gz IJMHILBHBMUOQF-MRXNPFEDSA-N 2 0 297.487 2.537 20 30 CFEDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000594509734 349435272 /nfs/dbraw/zinc/43/52/72/349435272.db2.gz LVRRITJEZVYNPS-LESCRADOSA-N 2 0 283.419 2.865 20 30 CFEDRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594925153 349511223 /nfs/dbraw/zinc/51/12/23/349511223.db2.gz LKHHCQJDZPJPEB-INIZCTEOSA-N 2 0 283.419 2.673 20 30 CFEDRP C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cc(C#N)ccc1F)C2 ZINC000595508214 349645620 /nfs/dbraw/zinc/64/56/20/349645620.db2.gz VSYMQWCVYLLBRE-QGZVFWFLSA-N 2 0 287.382 2.615 20 30 CFEDRP C[C@H]1C[NH+](CC2CC[NH+](CCCCC#N)CC2)C[C@H](C)O1 ZINC000069016831 346879779 /nfs/dbraw/zinc/87/97/79/346879779.db2.gz CQZFMXLVOBWYFD-HOTGVXAUSA-N 2 0 293.455 2.501 20 30 CFEDRP C[C@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000595892428 349762897 /nfs/dbraw/zinc/76/28/97/349762897.db2.gz QXSGDACPIUEAMU-HZMBPMFUSA-N 2 0 297.324 2.746 20 30 CFEDRP N#Cc1ccc(CC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000595895751 349764599 /nfs/dbraw/zinc/76/45/99/349764599.db2.gz UKONSEKYOHKBMT-MSOLQXFVSA-N 2 0 283.419 2.565 20 30 CFEDRP N#Cc1ccc(CC[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000595900197 349765450 /nfs/dbraw/zinc/76/54/50/349765450.db2.gz AOIXIQSYSKQFLR-IBGZPJMESA-N 2 0 297.446 2.812 20 30 CFEDRP C[C@@]1(C#N)CC[NH+](CCCCC[N@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000595839703 349750749 /nfs/dbraw/zinc/75/07/49/349750749.db2.gz IHCCGVZAFSRKFT-IRXDYDNUSA-N 2 0 288.439 2.628 20 30 CFEDRP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(CC#N)cc3)C2)C1 ZINC000334719302 530059681 /nfs/dbraw/zinc/05/96/81/530059681.db2.gz ADRIDSJCNRSJAY-GOSISDBHSA-N 2 0 283.419 2.670 20 30 CFEDRP CCNC(NCc1ccccc1C[N@H+](C)C(C)C)=[NH+]CC ZINC000066243097 346751499 /nfs/dbraw/zinc/75/14/99/346751499.db2.gz AVWPPXJSLDAKEY-UHFFFAOYSA-N 2 0 290.455 2.602 20 30 CFEDRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591573441 349031174 /nfs/dbraw/zinc/03/11/74/349031174.db2.gz WXKIRFBPSNGRQH-XHDPSFHLSA-N 2 0 277.799 2.689 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)[C@@H]1CCC[NH2+]C1 ZINC000591578091 349032154 /nfs/dbraw/zinc/03/21/54/349032154.db2.gz XZGGAYZRQMKPBB-FDQGKXFDSA-N 2 0 283.419 2.913 20 30 CFEDRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591581398 349032586 /nfs/dbraw/zinc/03/25/86/349032586.db2.gz VHKXEOORPQKXQU-CSMYWGQOSA-N 2 0 269.392 2.523 20 30 CFEDRP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1C#N ZINC000600710016 350599107 /nfs/dbraw/zinc/59/91/07/350599107.db2.gz MSRYAIXHVHSBGP-CPUCHLNUSA-N 2 0 271.408 2.672 20 30 CFEDRP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1C#N ZINC000600709934 350599453 /nfs/dbraw/zinc/59/94/53/350599453.db2.gz LETULBVSFOKWGW-AEFFLSMTSA-N 2 0 283.419 2.831 20 30 CFEDRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1C#N ZINC000600708661 350599503 /nfs/dbraw/zinc/59/95/03/350599503.db2.gz DXFUHCJIWBNGGP-MRXNPFEDSA-N 2 0 257.381 2.570 20 30 CFEDRP Cc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1C#N ZINC000600712298 350600183 /nfs/dbraw/zinc/60/01/83/350600183.db2.gz WQWCCYGVHQGOAL-QGZVFWFLSA-N 2 0 283.419 2.688 20 30 CFEDRP N#CCc1cccc2c1CC[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000600752497 350606627 /nfs/dbraw/zinc/60/66/27/350606627.db2.gz YTDRTMKBVWHBQN-OAHLLOKOSA-N 2 0 283.419 2.500 20 30 CFEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)CC2 ZINC000602022235 350833915 /nfs/dbraw/zinc/83/39/15/350833915.db2.gz SBKRIQXXZFJOLT-NUTKFTJISA-N 2 0 269.392 2.653 20 30 CFEDRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(C#N)cc1 ZINC000602022809 350834787 /nfs/dbraw/zinc/83/47/87/350834787.db2.gz VPVXQLUZYBQYIR-BBRMVZONSA-N 2 0 271.408 2.987 20 30 CFEDRP CCCC[NH+]1CCC([NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602537084 350917562 /nfs/dbraw/zinc/91/75/62/350917562.db2.gz YRDJHVUUCCQEEA-AWEZNQCLSA-N 2 0 251.418 2.780 20 30 CFEDRP C[C@@H](CCC#N)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000602440471 350883322 /nfs/dbraw/zinc/88/33/22/350883322.db2.gz PKFACOSMGGEMPR-HNNXBMFYSA-N 2 0 263.429 2.734 20 30 CFEDRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602447980 350886851 /nfs/dbraw/zinc/88/68/51/350886851.db2.gz JBDUTPRNLHDXAF-UHFFFAOYSA-N 2 0 286.423 2.505 20 30 CFEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000602700903 350986913 /nfs/dbraw/zinc/98/69/13/350986913.db2.gz XRRRHOUKKSJGQM-QQFBHYJXSA-N 2 0 293.455 2.548 20 30 CFEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000602700901 350986919 /nfs/dbraw/zinc/98/69/19/350986919.db2.gz XRRRHOUKKSJGQM-FHERZECASA-N 2 0 293.455 2.548 20 30 CFEDRP CC(C)(C[NH2+]C1CCC(C#N)CC1)C[NH+]1CCCC1 ZINC000602631663 350953134 /nfs/dbraw/zinc/95/31/34/350953134.db2.gz QDTNNPSAYVFRBA-UHFFFAOYSA-N 2 0 263.429 2.780 20 30 CFEDRP Cc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)ccc1C#N ZINC000602877680 351054997 /nfs/dbraw/zinc/05/49/97/351054997.db2.gz JUFHFPIRHSSRHZ-UHFFFAOYSA-N 2 0 283.419 2.784 20 30 CFEDRP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000614403661 352090292 /nfs/dbraw/zinc/09/02/92/352090292.db2.gz OXFVEFJFPJJXOO-INIZCTEOSA-N 2 0 280.375 2.969 20 30 CFEDRP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000618801348 352883257 /nfs/dbraw/zinc/88/32/57/352883257.db2.gz ADRPYPDNCWZYOW-JZXOWHBKSA-N 2 0 281.403 2.762 20 30 CFEDRP C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)C1CC[NH+](C)CC1 ZINC000618807194 352884193 /nfs/dbraw/zinc/88/41/93/352884193.db2.gz SZCYIMTWSNPZRR-UGSOOPFHSA-N 2 0 283.419 2.865 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000271885141 191388789 /nfs/dbraw/zinc/38/87/89/191388789.db2.gz QLWFFXGCZXEXMN-OAHLLOKOSA-N 2 0 284.403 2.611 20 30 CFEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CC2 ZINC000423274547 283197008 /nfs/dbraw/zinc/19/70/08/283197008.db2.gz MALYBUJCIQQIBV-DYVFJYSZSA-N 2 0 269.392 2.525 20 30 CFEDRP C=CC[N@H+](CCc1ccccc1)CC1CC[NH2+]CC1 ZINC000178965709 189157675 /nfs/dbraw/zinc/15/76/75/189157675.db2.gz LLLZTEZOIUZNDF-UHFFFAOYSA-N 2 0 258.409 2.717 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc(C#N)cc1F ZINC000423278728 238338859 /nfs/dbraw/zinc/33/88/59/238338859.db2.gz QMQLUNUYADFRGI-DETPVDSQSA-N 2 0 275.371 2.865 20 30 CFEDRP CC[N@@H+]1CC[C@H](NCc2ccc(C#N)c(F)c2)[C@H](C)C1 ZINC000449734414 242124261 /nfs/dbraw/zinc/12/42/61/242124261.db2.gz BJBAILCOQZWERF-WBMJQRKESA-N 2 0 275.371 2.517 20 30 CFEDRP C#CCC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000276302020 193278656 /nfs/dbraw/zinc/27/86/56/193278656.db2.gz XDEJMGXBYFZSJI-HOTGVXAUSA-N 2 0 270.420 2.756 20 30 CFEDRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000037644417 372680492 /nfs/dbraw/zinc/68/04/92/372680492.db2.gz YANBGHFCZOMOFL-LSDHHAIUSA-N 2 0 287.407 2.581 20 30 CFEDRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000037649450 372684286 /nfs/dbraw/zinc/68/42/86/372684286.db2.gz RVDCYLLTWGEOAL-DZGCQCFKSA-N 2 0 269.392 2.693 20 30 CFEDRP C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)C[NH+]1CCCC1 ZINC000062078850 373747084 /nfs/dbraw/zinc/74/70/84/373747084.db2.gz VPVJSOIRCZUWAA-GJZGRUSLSA-N 2 0 271.408 2.941 20 30 CFEDRP C=CC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821219 375161250 /nfs/dbraw/zinc/16/12/50/375161250.db2.gz CSDZUMUPOVQQJN-UHFFFAOYSA-N 2 0 259.397 2.806 20 30 CFEDRP C[NH+](C)CCC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000121237522 376788600 /nfs/dbraw/zinc/78/86/00/376788600.db2.gz TUKQPRNUOZJTDH-UHFFFAOYSA-N 2 0 289.398 2.861 20 30 CFEDRP C[N@@H+]1CCC[C@H]2CN(Cc3cc(C#N)ccc3F)CC[C@@H]21 ZINC000129108679 377385726 /nfs/dbraw/zinc/38/57/26/377385726.db2.gz MEAZMNHYDVKHRE-YOEHRIQHSA-N 2 0 287.382 2.613 20 30 CFEDRP C=C(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000134370506 378006458 /nfs/dbraw/zinc/00/64/58/378006458.db2.gz LKYARAVWCGDFOZ-DLBZAZTESA-N 2 0 256.393 2.916 20 30 CFEDRP CC#CCC[NH+]1CCC(C[N@@H+](C)CCCC)CC1 ZINC000155133919 378613109 /nfs/dbraw/zinc/61/31/09/378613109.db2.gz WNSRWDNSHNCDAT-UHFFFAOYSA-N 2 0 250.430 2.844 20 30 CFEDRP N#Cc1ccc(C[NH+]2CCC(c3c[nH]cn3)CC2)s1 ZINC000334242505 378970763 /nfs/dbraw/zinc/97/07/63/378970763.db2.gz QNARNNIUTOZPIE-UHFFFAOYSA-N 2 0 272.377 2.722 20 30 CFEDRP N#CC1CCC(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000334384814 379202382 /nfs/dbraw/zinc/20/23/82/379202382.db2.gz MGBJFBDYWYEQOO-FJBKBRRZSA-N 2 0 261.413 2.533 20 30 CFEDRP CC[NH+](CC)[C@H](CNC(=[NH2+])Nc1ccccn1)CC(C)C ZINC000170910348 379192119 /nfs/dbraw/zinc/19/21/19/379192119.db2.gz VOZOJRRKOSAIBG-AWEZNQCLSA-N 2 0 291.443 2.565 20 30 CFEDRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(C#N)c(F)c1 ZINC000335500185 379408351 /nfs/dbraw/zinc/40/83/51/379408351.db2.gz NXKOZDFKIBSGKM-FNBIGBAISA-N 2 0 261.344 2.618 20 30 CFEDRP N#C[C@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000334614499 379628809 /nfs/dbraw/zinc/62/88/09/379628809.db2.gz RGSTYBVOHGYYLD-FXQLRMTLSA-N 2 0 261.413 2.675 20 30 CFEDRP C=C(CC)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358515268 380898544 /nfs/dbraw/zinc/89/85/44/380898544.db2.gz XTFSNFJEBVIIIN-HZPDHXFCSA-N 2 0 280.456 2.774 20 30 CFEDRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC(C)(C)CCC#N)C1 ZINC000354107733 381084449 /nfs/dbraw/zinc/08/44/49/381084449.db2.gz SAYILSDLJWMQNM-INIZCTEOSA-N 2 0 277.456 2.980 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CCC#N)[C@@H](C)C1 ZINC000348235505 381474892 /nfs/dbraw/zinc/47/48/92/381474892.db2.gz ZUHNGGYKNMSVQT-KBPBESRZSA-N 2 0 251.418 2.636 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000342719581 381496822 /nfs/dbraw/zinc/49/68/22/381496822.db2.gz GKUJGJHUTNAXCK-YJBOKZPZSA-N 2 0 285.435 2.915 20 30 CFEDRP C=CC[C@H](CO)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000371834026 381708709 /nfs/dbraw/zinc/70/87/09/381708709.db2.gz GMCISZBSGCMJNW-QGZVFWFLSA-N 2 0 280.456 2.558 20 30 CFEDRP C=CCC[N@@H+](C)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000343468011 381734887 /nfs/dbraw/zinc/73/48/87/381734887.db2.gz KWEKKXGYLRZSGM-UHFFFAOYSA-N 2 0 287.451 2.836 20 30 CFEDRP C[N@@H+](Cc1ccc(CC#N)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000343549726 381789742 /nfs/dbraw/zinc/78/97/42/381789742.db2.gz LBFXDINGNYBQIY-KRWDZBQOSA-N 2 0 271.408 2.526 20 30 CFEDRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185881068 381767027 /nfs/dbraw/zinc/76/70/27/381767027.db2.gz INWYNOCAKASQAZ-RHSMWYFYSA-N 2 0 271.408 2.920 20 30 CFEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000350313999 382011450 /nfs/dbraw/zinc/01/14/50/382011450.db2.gz AJEOGLNLWNOSRI-MRXNPFEDSA-N 2 0 295.471 2.749 20 30 CFEDRP CC#CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000362395263 382048467 /nfs/dbraw/zinc/04/84/67/382048467.db2.gz IBEMXGFKKIBBAX-UHFFFAOYSA-N 2 0 282.431 2.998 20 30 CFEDRP C=C(C)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374840890 382058180 /nfs/dbraw/zinc/05/81/80/382058180.db2.gz FHLCGVBDAIWMQL-UHFFFAOYSA-N 2 0 259.397 2.806 20 30 CFEDRP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(C#N)cc1 ZINC000293872111 382315555 /nfs/dbraw/zinc/31/55/55/382315555.db2.gz YGHSAJHSBJQNHQ-BBRMVZONSA-N 2 0 259.397 2.797 20 30 CFEDRP C=CC[N@@H+](CCc1ccccc1)CC[C@@H]1CC[NH2+]C1 ZINC000420319361 382367357 /nfs/dbraw/zinc/36/73/57/382367357.db2.gz PJGLWDAGXUPSGD-KRWDZBQOSA-N 2 0 258.409 2.717 20 30 CFEDRP C#CCN(C)CCC[NH2+][C@@H](C)c1csc(C)c1 ZINC000294141018 382432581 /nfs/dbraw/zinc/43/25/81/382432581.db2.gz GIQLOLQKSKDMPT-ZDUSSCGKSA-N 2 0 250.411 2.662 20 30 CFEDRP C=CCc1cc(C[N@H+](C)CC(C)(C)C[NH3+])cc(OC)c1O ZINC000346693235 382475993 /nfs/dbraw/zinc/47/59/93/382475993.db2.gz LRCYNLATGCKOPZ-UHFFFAOYSA-N 2 0 292.423 2.546 20 30 CFEDRP C#CC[C@@H](C)[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000366521272 382525886 /nfs/dbraw/zinc/52/58/86/382525886.db2.gz PMFCPKNXGHSOFF-WBVHZDCISA-N 2 0 298.430 2.976 20 30 CFEDRP C=CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000346848489 382542262 /nfs/dbraw/zinc/54/22/62/382542262.db2.gz DVAQAKAVTUKIOT-CGTJXYLNSA-N 2 0 286.419 2.811 20 30 CFEDRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000227498829 382837155 /nfs/dbraw/zinc/83/71/55/382837155.db2.gz SICJXYJNYPFREF-AWEZNQCLSA-N 2 0 271.408 2.941 20 30 CFEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000442877499 382963492 /nfs/dbraw/zinc/96/34/92/382963492.db2.gz ZNTYNOGOZSZTDI-KBJXHQRYSA-N 2 0 263.429 2.635 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH+](C)CC(C)(C)CCC#N)[C@@H](C)C1 ZINC000245775606 383034549 /nfs/dbraw/zinc/03/45/49/383034549.db2.gz SPQGKZHZQYRXSD-GJZGRUSLSA-N 2 0 265.445 2.978 20 30 CFEDRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000245909652 383046435 /nfs/dbraw/zinc/04/64/35/383046435.db2.gz PBUGHILFYNPJCU-ZBFHGGJFSA-N 2 0 271.408 2.941 20 30 CFEDRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000245909647 383047129 /nfs/dbraw/zinc/04/71/29/383047129.db2.gz PBUGHILFYNPJCU-GDBMZVCRSA-N 2 0 271.408 2.941 20 30 CFEDRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000423436342 383096086 /nfs/dbraw/zinc/09/60/86/383096086.db2.gz LRTQLZGNQNAGEG-XQAQDONZSA-N 2 0 287.382 2.736 20 30 CFEDRP C=CCOCCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000338965537 383102670 /nfs/dbraw/zinc/10/26/70/383102670.db2.gz GWGHZXIEPBQQBM-QGZVFWFLSA-N 2 0 280.456 2.777 20 30 CFEDRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(C#N)cc1F ZINC000423472347 383109636 /nfs/dbraw/zinc/10/96/36/383109636.db2.gz NENIGPYUWCEMFG-YUTCNCBUSA-N 2 0 275.371 2.865 20 30 CFEDRP C=CC[NH+](CC=C)[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000246883124 383117470 /nfs/dbraw/zinc/11/74/70/383117470.db2.gz FBSJWBYALGGIEI-FGTMMUONSA-N 2 0 293.499 2.757 20 30 CFEDRP N#CCc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000565538921 383179587 /nfs/dbraw/zinc/17/95/87/383179587.db2.gz IOOPUODCVFIWGV-UHFFFAOYSA-N 2 0 283.419 2.717 20 30 CFEDRP C=CCCCC[C@@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000449250728 383186519 /nfs/dbraw/zinc/18/65/19/383186519.db2.gz PIOQQHORWZBCDB-IAGOWNOFSA-N 2 0 281.488 2.737 20 30 CFEDRP N#CCCC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000563885527 383169248 /nfs/dbraw/zinc/16/92/48/383169248.db2.gz QNKYTSAWQMDEDI-UHFFFAOYSA-N 2 0 263.429 2.878 20 30 CFEDRP C=CCOc1cccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000519831249 383240752 /nfs/dbraw/zinc/24/07/52/383240752.db2.gz FYHKGKQQODSFDS-HIFRSBDPSA-N 2 0 260.381 2.563 20 30 CFEDRP C[C@H]1CC[N@H+](CC#Cc2ccccc2)C[C@H]1n1ccnc1 ZINC000248832959 383295657 /nfs/dbraw/zinc/29/56/57/383295657.db2.gz ITWXGVFCVZMEHG-FUHWJXTLSA-N 2 0 279.387 2.818 20 30 CFEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](C#N)CCC#N ZINC000568750624 383432510 /nfs/dbraw/zinc/43/25/10/383432510.db2.gz BFAPQILGEPGGQF-CVEARBPZSA-N 2 0 276.428 2.674 20 30 CFEDRP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(CC#N)cc2)CC1 ZINC000429533407 383540691 /nfs/dbraw/zinc/54/06/91/383540691.db2.gz BILPCWIFOHHOBZ-KRWDZBQOSA-N 2 0 271.408 2.669 20 30 CFEDRP CCNC(=[NH2+])NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000267461402 384397269 /nfs/dbraw/zinc/39/72/69/384397269.db2.gz VFITZEOBCIAHKR-AWEZNQCLSA-N 2 0 288.439 2.574 20 30 CFEDRP C#CCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000289258337 197277639 /nfs/dbraw/zinc/27/76/39/197277639.db2.gz FOBAKZOHIGMMPZ-JWTNVVGKSA-N 2 0 298.430 2.756 20 30 CFEDRP C#C[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289110009 197237484 /nfs/dbraw/zinc/23/74/84/197237484.db2.gz CSHJAIAXTFGCDQ-YQQAZPJKSA-N 2 0 256.393 2.508 20 30 CFEDRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(C#N)c(F)c1 ZINC000423483927 533387644 /nfs/dbraw/zinc/38/76/44/533387644.db2.gz QIVYNQOOMILZQH-IUODEOHRSA-N 2 0 275.371 2.880 20 30 CFEDRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000423350292 533438502 /nfs/dbraw/zinc/43/85/02/533438502.db2.gz XGEIIILMICWSNW-MLGOLLRUSA-N 2 0 275.371 2.738 20 30 CFEDRP CC(C)CN1CCCC[C@@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442846237 394140346 /nfs/dbraw/zinc/14/03/46/394140346.db2.gz JFPFZSJFFWJXCT-HRCADAONSA-N 2 0 263.429 2.779 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@@H]2CCC[C@H]21 ZINC000453375190 394392351 /nfs/dbraw/zinc/39/23/51/394392351.db2.gz HWOXZUDHGDRZJK-BHYGNILZSA-N 2 0 287.382 2.660 20 30 CFEDRP CCC(CC)(CNC(=[NH2+])N(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000178574148 394389463 /nfs/dbraw/zinc/38/94/63/394389463.db2.gz SUUCMMGJUAAPCS-AWEZNQCLSA-N 2 0 290.455 2.772 20 30 CFEDRP N#CCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310007030 413083479 /nfs/dbraw/zinc/08/34/79/413083479.db2.gz IFEVURUECJGWOL-QZTJIDSGSA-N 2 0 283.419 2.744 20 30 CFEDRP N#CCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310007032 413083569 /nfs/dbraw/zinc/08/35/69/413083569.db2.gz IFEVURUECJGWOL-ZWKOTPCHSA-N 2 0 283.419 2.744 20 30 CFEDRP C=CCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000657582873 413771426 /nfs/dbraw/zinc/77/14/26/413771426.db2.gz LEVYVGFYDGXLGY-UHFFFAOYSA-N 2 0 287.451 2.883 20 30 CFEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000657831786 413984653 /nfs/dbraw/zinc/98/46/53/413984653.db2.gz BLYKUKJNHZKWRE-SJLPKXTDSA-N 2 0 293.499 2.737 20 30 CFEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000657835162 413987465 /nfs/dbraw/zinc/98/74/65/413987465.db2.gz CYZKTGYDNGHARA-KZNAEPCWSA-N 2 0 293.499 2.737 20 30 CFEDRP C=CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534367 175197881 /nfs/dbraw/zinc/19/78/81/175197881.db2.gz GUZHQPNAGIPLJU-MRXNPFEDSA-N 2 0 274.408 2.683 20 30 CFEDRP C[NH+](C)CC1CCC([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000361420037 261252390 /nfs/dbraw/zinc/25/23/90/261252390.db2.gz KGLFSPBSMDBSOE-GRAKBVBRSA-N 2 0 263.429 2.779 20 30 CFEDRP CCc1cccc(NC(=[NH2+])NCC2(C)CC[NH+](C)CC2)c1 ZINC000272439762 263004318 /nfs/dbraw/zinc/00/43/18/263004318.db2.gz UPSNNKCFLBDAGW-UHFFFAOYSA-N 2 0 288.439 2.708 20 30 CFEDRP C=CCOc1ccccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414926910 263132279 /nfs/dbraw/zinc/13/22/79/263132279.db2.gz OFAKBLXKBWMNDF-CABCVRRESA-N 2 0 260.381 2.611 20 30 CFEDRP C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414984769 263182341 /nfs/dbraw/zinc/18/23/41/263182341.db2.gz AOZKYDOXLABQSL-HZPDHXFCSA-N 2 0 274.408 2.859 20 30 CFEDRP C=CCOc1ccc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414984770 263182368 /nfs/dbraw/zinc/18/23/68/263182368.db2.gz AOZKYDOXLABQSL-JKSUJKDBSA-N 2 0 274.408 2.859 20 30 CFEDRP C=CCOc1cccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415124987 263274131 /nfs/dbraw/zinc/27/41/31/263274131.db2.gz KUCDWMILLRRQAU-HOCLYGCPSA-N 2 0 274.408 2.668 20 30 CFEDRP C=CCOCC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000370359110 267311463 /nfs/dbraw/zinc/31/14/63/267311463.db2.gz SOLHHXVKSCYTMD-DOTOQJQBSA-N 2 0 280.456 2.822 20 30 CFEDRP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(C#N)s2)CC1 ZINC000336284454 277038266 /nfs/dbraw/zinc/03/82/66/277038266.db2.gz HOONAPRMPBCZOK-UHFFFAOYSA-N 2 0 275.421 2.680 20 30 CFEDRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000414170729 277053396 /nfs/dbraw/zinc/05/33/96/277053396.db2.gz CGFBPOSOYMPSCZ-KSSFIOAISA-N 2 0 283.419 2.867 20 30 CFEDRP C=CCCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000571374445 328117692 /nfs/dbraw/zinc/11/76/92/328117692.db2.gz VGTBAXUPTLBYDQ-JWTNVVGKSA-N 2 0 291.483 2.586 20 30 CFEDRP C#CCSCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000181098926 329226122 /nfs/dbraw/zinc/22/61/22/329226122.db2.gz PMZPJQSOLJMRKZ-UHFFFAOYSA-N 2 0 280.481 2.740 20 30 CFEDRP C=C(C)CN1CCC([NH2+][C@H](C)c2ccnc(OC)c2)CC1 ZINC000584387087 329316969 /nfs/dbraw/zinc/31/69/69/329316969.db2.gz FKTCOKDNEPJDKT-CQSZACIVSA-N 2 0 289.423 2.781 20 30 CFEDRP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185821235 329329758 /nfs/dbraw/zinc/32/97/58/329329758.db2.gz JUUFYLSGQVULNK-CVEARBPZSA-N 2 0 263.429 2.780 20 30 CFEDRP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)C(C)C ZINC000422838402 330157273 /nfs/dbraw/zinc/15/72/73/330157273.db2.gz XDEDMJWLVURVII-RCCFBDPRSA-N 2 0 293.499 2.663 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423097913 330169948 /nfs/dbraw/zinc/16/99/48/330169948.db2.gz BRCJLYRWCTVJBN-WMLDXEAASA-N 2 0 274.408 2.729 20 30 CFEDRP C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423191921 330175877 /nfs/dbraw/zinc/17/58/77/330175877.db2.gz UECAPMBLPXOMHK-HYVNUMGLSA-N 2 0 258.409 2.904 20 30 CFEDRP CC(C)[C@@H]([NH3+])C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423264191 330184029 /nfs/dbraw/zinc/18/40/29/330184029.db2.gz BROHSQXQPZBDAL-ADKAHSJRSA-N 2 0 285.435 2.963 20 30 CFEDRP CCC[NH2+]CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423314240 330189734 /nfs/dbraw/zinc/18/97/34/330189734.db2.gz VRNGLVXELAMRKB-UHFFFAOYSA-N 2 0 285.435 2.980 20 30 CFEDRP C=CCC[C@@H](CCC)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423523541 330210011 /nfs/dbraw/zinc/21/00/11/330210011.db2.gz WBSCMTVHFPJQQB-WWDZGPRUSA-N 2 0 293.499 2.927 20 30 CFEDRP C=CCC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)C1CC1 ZINC000120876176 330391804 /nfs/dbraw/zinc/39/18/04/330391804.db2.gz PYKMKLTWQUCUMP-KRWDZBQOSA-N 2 0 280.456 2.822 20 30 CFEDRP C=CCCCC[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000453106036 331089680 /nfs/dbraw/zinc/08/96/80/331089680.db2.gz YHYHJWZYYIUYBG-KRWDZBQOSA-N 2 0 281.488 2.739 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@@H]2CCC[C@@H]21 ZINC000453287429 331111329 /nfs/dbraw/zinc/11/13/29/331111329.db2.gz FWLRUPSYHUDHTG-QXKUPLGCSA-N 2 0 261.413 2.531 20 30 CFEDRP C#CCCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000113323951 526743881 /nfs/dbraw/zinc/74/38/81/526743881.db2.gz JAGBKDGWUSIPPT-QGZVFWFLSA-N 2 0 286.419 2.520 20 30 CFEDRP C#CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCC)C2)cc1 ZINC000113326796 527104936 /nfs/dbraw/zinc/10/49/36/527104936.db2.gz ATHUTZPEEFAQMX-KRWDZBQOSA-N 2 0 286.419 2.520 20 30 CFEDRP Cc1cccc(NC(=[NH2+])NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000104155063 617951128 /nfs/dbraw/zinc/95/11/28/617951128.db2.gz ZCFZWRQVSOVGHE-UHFFFAOYSA-N 2 0 288.439 2.986 20 30 CFEDRP CCc1ccc(NC(=[NH2+])NCCC[NH+](CC)CC)cc1 ZINC000104153383 617951329 /nfs/dbraw/zinc/95/13/29/617951329.db2.gz QLELDVCJQOHAOK-UHFFFAOYSA-N 2 0 276.428 2.708 20 30 CFEDRP C[NH+]1CCC(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000892246241 618021123 /nfs/dbraw/zinc/02/11/23/618021123.db2.gz PJEYXXUABDTFOL-UHFFFAOYSA-N 2 0 295.430 2.989 20 30 CFEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NCC(C)(C)C[NH+](C)C ZINC000303721769 618258666 /nfs/dbraw/zinc/25/86/66/618258666.db2.gz XQBJFQNHZGWGJB-CQSZACIVSA-N 2 0 284.492 2.693 20 30 CFEDRP C=CC[C@H](CO)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925696066 618948080 /nfs/dbraw/zinc/94/80/80/618948080.db2.gz JDOCOJHOPBGQLL-HOCLYGCPSA-N 2 0 276.424 2.583 20 30 CFEDRP C=CCCCCC[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816086 619134796 /nfs/dbraw/zinc/13/47/96/619134796.db2.gz DNCZACJFEWEHEB-HNNXBMFYSA-N 2 0 267.461 2.524 20 30 CFEDRP C#C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000894551855 619417645 /nfs/dbraw/zinc/41/76/45/619417645.db2.gz AEBOEPTWASRUBC-MRXNPFEDSA-N 2 0 276.811 2.946 20 30 CFEDRP Cc1cc(C)cc(NC(=[NH2+])NCC[N@H+]2CCCC[C@H]2C)c1 ZINC000303911513 619982131 /nfs/dbraw/zinc/98/21/31/619982131.db2.gz ZRCOCAYSZUWWCB-OAHLLOKOSA-N 2 0 288.439 2.904 20 30 CFEDRP CC(C)(CCC#N)C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897981393 620317749 /nfs/dbraw/zinc/31/77/49/620317749.db2.gz LLVQUAFNFFNCPK-UHFFFAOYSA-N 2 0 263.429 2.923 20 30 CFEDRP C=CCC[C@@H]([NH2+]CCC[NH+](C)C)[C@]1(C)CCCCO1 ZINC000902720357 621156643 /nfs/dbraw/zinc/15/66/43/621156643.db2.gz IIDFKGFXVOQBBM-CVEARBPZSA-N 2 0 268.445 2.822 20 30 CFEDRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cc(C#N)ccn2)CC1 ZINC000902791643 621177854 /nfs/dbraw/zinc/17/78/54/621177854.db2.gz WQNFOPKKXXSDKW-CQSZACIVSA-N 2 0 286.423 2.726 20 30 CFEDRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cc(C#N)ccn2)CC1 ZINC000902821481 621182071 /nfs/dbraw/zinc/18/20/71/621182071.db2.gz ZDRFVSXQQJGSER-CQSZACIVSA-N 2 0 286.423 2.726 20 30 CFEDRP CC(C)[C@H]([NH3+])CC[N@H+](C)CC1CCC(C#N)CC1 ZINC000903425040 621379881 /nfs/dbraw/zinc/37/98/81/621379881.db2.gz PEDGBZGLCAUQPU-YMAMQOFZSA-N 2 0 251.418 2.622 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000903461634 621381523 /nfs/dbraw/zinc/38/15/23/621381523.db2.gz WUNMPHSDWWYROD-WMZOPIPTSA-N 2 0 283.419 2.736 20 30 CFEDRP N#CC1CCC(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000903451847 621386794 /nfs/dbraw/zinc/38/67/94/621386794.db2.gz FDIHVJMQNWEJOK-DQPZFDDXSA-N 2 0 275.440 2.638 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000903453596 621387300 /nfs/dbraw/zinc/38/73/00/621387300.db2.gz DBWFBRWBQNJZAS-SFHVURJKSA-N 2 0 283.419 2.751 20 30 CFEDRP C=CC[N@@H+](Cc1cccs1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718418 621425329 /nfs/dbraw/zinc/42/53/29/621425329.db2.gz MEMMRSGPAYQAET-ZBFHGGJFSA-N 2 0 292.448 2.505 20 30 CFEDRP C[C@H]1CC[N@H+](CCCCC2(C#N)CCC2)C[C@@H]1C[NH3+] ZINC000903757361 621438747 /nfs/dbraw/zinc/43/87/47/621438747.db2.gz CTIJXGJACZVUCV-GJZGRUSLSA-N 2 0 263.429 2.767 20 30 CFEDRP C[N@H+](CCCC1CC[NH2+]CC1)Cc1cc(C#N)cs1 ZINC000903825938 621450500 /nfs/dbraw/zinc/45/05/00/621450500.db2.gz FTQRFUAYUFTRFQ-UHFFFAOYSA-N 2 0 277.437 2.831 20 30 CFEDRP C=CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000904411832 621592606 /nfs/dbraw/zinc/59/26/06/621592606.db2.gz OBXNZJFVUGIDOJ-HOCLYGCPSA-N 2 0 274.408 2.668 20 30 CFEDRP CCCCCCCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000911725191 622541421 /nfs/dbraw/zinc/54/14/21/622541421.db2.gz JJQPWZQKIBHOEY-XHSDSOJGSA-N 2 0 297.487 2.569 20 30 CFEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000911754199 622547234 /nfs/dbraw/zinc/54/72/34/622547234.db2.gz RYRWXNBWEYYZRH-GDBMZVCRSA-N 2 0 297.487 2.650 20 30 CFEDRP C#Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000834902952 625916657 /nfs/dbraw/zinc/91/66/57/625916657.db2.gz MAOGNAWKMPIMGH-RCCFBDPRSA-N 2 0 268.404 2.630 20 30 CFEDRP C#C[C@H](C)[NH+](C)Cc1cccc(C[N@@H+](C)[C@@H](C)C#C)c1 ZINC000769961280 625933956 /nfs/dbraw/zinc/93/39/56/625933956.db2.gz QKXWCMDAHANOPS-HOTGVXAUSA-N 2 0 268.404 2.594 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000921551126 625984820 /nfs/dbraw/zinc/98/48/20/625984820.db2.gz ZOKWJNDGUZTXGB-SJORKVTESA-N 2 0 283.419 2.892 20 30 CFEDRP C#CCOc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000839181138 626529963 /nfs/dbraw/zinc/52/99/63/626529963.db2.gz GQOUISMOGHPDFF-QGZVFWFLSA-N 2 0 286.419 2.520 20 30 CFEDRP C#CCOCC[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000851892989 634574665 /nfs/dbraw/zinc/57/46/65/634574665.db2.gz SOIARMOEIBUSAJ-UHFFFAOYSA-N 2 0 294.483 2.716 20 30 CFEDRP C[NH+]1CCC2(CCC[N@H+](CCc3ccc(C#N)cc3)C2)CC1 ZINC000852006822 634625767 /nfs/dbraw/zinc/62/57/67/634625767.db2.gz FFJDQSNSKAMXRI-UHFFFAOYSA-N 2 0 297.446 2.909 20 30 CFEDRP C#Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000787771670 629034163 /nfs/dbraw/zinc/03/41/63/629034163.db2.gz SKWJUQQRGPSKCH-WMLDXEAASA-N 2 0 256.393 2.582 20 30 CFEDRP CC[C@@H](C)CO[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000793146446 629493045 /nfs/dbraw/zinc/49/30/45/629493045.db2.gz RVKZXOOOAVNZEZ-OAHLLOKOSA-N 2 0 289.423 2.835 20 30 CFEDRP CC[C@H](C)CO[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000793146445 629493173 /nfs/dbraw/zinc/49/31/73/629493173.db2.gz RVKZXOOOAVNZEZ-HNNXBMFYSA-N 2 0 289.423 2.835 20 30 CFEDRP C#CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000796816891 629971348 /nfs/dbraw/zinc/97/13/48/629971348.db2.gz NBLJLGSGNUEUFU-RCCFBDPRSA-N 2 0 298.430 2.661 20 30 CFEDRP CCCCCCCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852706905 634811177 /nfs/dbraw/zinc/81/11/77/634811177.db2.gz CMTZOMSSHDGQDX-KRWDZBQOSA-N 2 0 282.472 2.878 20 30 CFEDRP C#C[C@@H](CC)[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000809686040 631263103 /nfs/dbraw/zinc/26/31/03/631263103.db2.gz JAWFHEWIVNAZNC-SFHVURJKSA-N 2 0 299.462 2.720 20 30 CFEDRP C#Cc1ccc(C[N@H+](CC)CCC[NH+]2CCCC2)cc1 ZINC000809749297 631279802 /nfs/dbraw/zinc/27/98/02/631279802.db2.gz DXOAOESUIWRLAO-UHFFFAOYSA-N 2 0 270.420 2.976 20 30 CFEDRP C#Cc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000817416122 632626639 /nfs/dbraw/zinc/62/66/39/632626639.db2.gz JULRRAXVKWLGJQ-UHFFFAOYSA-N 2 0 256.393 2.630 20 30 CFEDRP C=CCc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc(OC)c1OC ZINC000817908724 632729820 /nfs/dbraw/zinc/72/98/20/632729820.db2.gz IAQRNTBVAZWKGQ-QWHCGFSZSA-N 2 0 292.423 2.648 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000817946851 632748120 /nfs/dbraw/zinc/74/81/20/632748120.db2.gz GLFLOWGQPMZIGV-JEYLPNPQSA-N 2 0 272.392 2.619 20 30 CFEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000817966038 632764051 /nfs/dbraw/zinc/76/40/51/632764051.db2.gz ZMZWTTFZVXEWBT-GFCCVEGCSA-N 2 0 280.799 2.688 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000817970144 632769048 /nfs/dbraw/zinc/76/90/48/632769048.db2.gz MQHDHYGLKVQDTL-BPUTZDHNSA-N 2 0 272.392 2.619 20 30 CFEDRP CNC(NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1)=[NH+]C ZINC000849007689 633457345 /nfs/dbraw/zinc/45/73/45/633457345.db2.gz MKGCHDMFCQBYNP-HOCLYGCPSA-N 2 0 290.455 2.547 20 30 CFEDRP C#Cc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000850419856 633984629 /nfs/dbraw/zinc/98/46/29/633984629.db2.gz ICLFGOIDSJSTLN-UHFFFAOYSA-N 2 0 282.431 2.880 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000854230246 635265965 /nfs/dbraw/zinc/26/59/65/635265965.db2.gz KPCGHCQOQVPIQB-WMLDXEAASA-N 2 0 274.408 2.723 20 30 CFEDRP C=CCCCCC[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000863542091 637689538 /nfs/dbraw/zinc/68/95/38/637689538.db2.gz RRHDRCBFBYAGNK-CQSZACIVSA-N 2 0 254.418 2.609 20 30 CFEDRP CC1(C#N)CCC([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000873261709 642106428 /nfs/dbraw/zinc/10/64/28/642106428.db2.gz QVFFQDVMSXJEBG-FSGDBVRFSA-N 2 0 261.413 2.579 20 30 CFEDRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cccc(C#N)c1 ZINC000873273175 642114286 /nfs/dbraw/zinc/11/42/86/642114286.db2.gz YUSOMWMLAKFEFL-QWHCGFSZSA-N 2 0 257.381 2.597 20 30 CFEDRP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000873276108 642115477 /nfs/dbraw/zinc/11/54/77/642115477.db2.gz QVIMIUTVJBKBDC-FCGDIQPGSA-N 2 0 295.430 2.536 20 30 CFEDRP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291452 642124213 /nfs/dbraw/zinc/12/42/13/642124213.db2.gz HAFTWXIGVWNVTK-CVEARBPZSA-N 2 0 280.456 2.870 20 30 CFEDRP CCC[N@H+](CC)CCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000083052932 650758444 /nfs/dbraw/zinc/75/84/44/650758444.db2.gz PPQKONJSMNQALW-UHFFFAOYSA-N 2 0 288.439 2.634 20 30 CFEDRP C#CCCCCCC[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000877054722 643123555 /nfs/dbraw/zinc/12/35/55/643123555.db2.gz KJJPEEPGKWOCNN-KRWDZBQOSA-N 2 0 292.467 2.661 20 30 CFEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NCCC[NH+]1CCCC1 ZINC000303770210 651000868 /nfs/dbraw/zinc/00/08/68/651000868.db2.gz BQOXWZPTFQJTOO-HNNXBMFYSA-N 2 0 282.476 2.591 20 30 CFEDRP CCC(CC)[C@H](CNC(=[NH2+])N1CCCCC1)[NH+]1CCCC1 ZINC000303771561 651000915 /nfs/dbraw/zinc/00/09/15/651000915.db2.gz CRWOVTGVWVIVET-INIZCTEOSA-N 2 0 294.487 2.688 20 30 CFEDRP CCCCNC(=[NH2+])NC[C@@H](C(CC)CC)[NH+]1CCCC1 ZINC000303776187 651001412 /nfs/dbraw/zinc/00/14/12/651001412.db2.gz HPVVUFWBVLBNOP-HNNXBMFYSA-N 2 0 282.476 2.591 20 30 CFEDRP CCCCCCNC(=[NH2+])NCCC[N@@H+]1CCCC[C@@H]1C ZINC000303792182 651002747 /nfs/dbraw/zinc/00/27/47/651002747.db2.gz YFRNAULIUAUNOJ-HNNXBMFYSA-N 2 0 282.476 2.736 20 30 CFEDRP Cc1cccc(NC(=[NH2+])NC[C@H](CC(C)C)[NH+](C)C)c1 ZINC000303793805 651003467 /nfs/dbraw/zinc/00/34/67/651003467.db2.gz ZVVGZWQONJBZOI-HNNXBMFYSA-N 2 0 276.428 2.698 20 30 CFEDRP CCC[NH+](CCC)CCCNC(=[NH2+])NC1CCCCC1 ZINC000303865919 651004626 /nfs/dbraw/zinc/00/46/26/651004626.db2.gz BXHXRYQDOBBKGE-UHFFFAOYSA-N 2 0 282.476 2.736 20 30 CFEDRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=[NH2+])N2CCCCC2)C1 ZINC000303889596 651006184 /nfs/dbraw/zinc/00/61/84/651006184.db2.gz PNNULWZDRCQWHF-HUUCEWRRSA-N 2 0 294.487 2.544 20 30 CFEDRP C[C@@H]1CCCN(C(=[NH2+])NCCCCCCC[NH+](C)C)C1 ZINC000303887714 651006345 /nfs/dbraw/zinc/00/63/45/651006345.db2.gz ONAQRDDGNRPGGM-OAHLLOKOSA-N 2 0 282.476 2.545 20 30 CFEDRP CC(C)CCNC(=[NH2+])NCCCC[N@@H+]1CCCC[C@H]1C ZINC000303891362 651007002 /nfs/dbraw/zinc/00/70/02/651007002.db2.gz NCPJDZOLAGCBFB-OAHLLOKOSA-N 2 0 282.476 2.591 20 30 CFEDRP CCc1cccc(NC(=[NH2+])NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000303894794 651007120 /nfs/dbraw/zinc/00/71/20/651007120.db2.gz PBGFETKZKVKSBA-CQSZACIVSA-N 2 0 288.439 2.850 20 30 CFEDRP Cc1cc(C)cc(NC(=[NH2+])NCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000303895310 651007444 /nfs/dbraw/zinc/00/74/44/651007444.db2.gz PHYAENHXFAPKEC-CYBMUJFWSA-N 2 0 288.439 2.762 20 30 CFEDRP CC(C)Oc1ccc(NC(=[NH2+])NCC[N@H+](C)C(C)C)cc1 ZINC000303977765 651010618 /nfs/dbraw/zinc/01/06/18/651010618.db2.gz LROFGZXZLRIMRD-UHFFFAOYSA-N 2 0 292.427 2.541 20 30 CFEDRP C=CCC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@@H]1CCCO1 ZINC000883163823 645633374 /nfs/dbraw/zinc/63/33/74/645633374.db2.gz MHKZQVQQEKQUPY-GJZGRUSLSA-N 2 0 268.445 2.678 20 30 CFEDRP C=CCC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CCCO1 ZINC000883174455 645640589 /nfs/dbraw/zinc/64/05/89/645640589.db2.gz KXKDSMAHMKCNCM-ZWKOTPCHSA-N 2 0 292.467 2.964 20 30 CFEDRP C=CCC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)[C@@H]1CCCO1 ZINC000883174220 645640619 /nfs/dbraw/zinc/64/06/19/645640619.db2.gz FLWWZUIYFWCHDA-ULQDDVLXSA-N 2 0 280.456 2.822 20 30 CFEDRP CCc1cccc(NC(=[NH2+])NC[C@H]2CCCC[N@H+]2CC)c1 ZINC000304757774 651032430 /nfs/dbraw/zinc/03/24/30/651032430.db2.gz PGMJTYNCDYJXCY-MRXNPFEDSA-N 2 0 288.439 2.850 20 30 CFEDRP C[N@H+](CCCNC(=[NH2+])N1CCCCCC1)C1CCCCC1 ZINC000305029239 651040888 /nfs/dbraw/zinc/04/08/88/651040888.db2.gz AECAQDFDXFNEFJ-UHFFFAOYSA-N 2 0 294.487 2.832 20 30 CFEDRP C=C(C)C[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000883390153 645788468 /nfs/dbraw/zinc/78/84/68/645788468.db2.gz GRCLQZDFRXUKOM-KBAYOESNSA-N 2 0 294.483 2.946 20 30 CFEDRP CC(C)C[C@@H](CNC(=[NH2+])N1CCCCCC1)[NH+]1CCCC1 ZINC000305079083 651045340 /nfs/dbraw/zinc/04/53/40/651045340.db2.gz RKRHDDLBQIGJMJ-INIZCTEOSA-N 2 0 294.487 2.688 20 30 CFEDRP C#C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCCO1 ZINC000886594183 647058879 /nfs/dbraw/zinc/05/88/79/647058879.db2.gz HMKQATFUKGNXQV-UMQBVGHOSA-N 2 0 290.451 2.554 20 30 CFEDRP C=CCC[C@H](CO)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886622609 647073539 /nfs/dbraw/zinc/07/35/39/647073539.db2.gz YBARMZMZYJEUQU-AQFXKWCLSA-N 2 0 280.456 2.700 20 30 CFEDRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCCC(C)(C)C#N ZINC000887132546 647222843 /nfs/dbraw/zinc/22/28/43/647222843.db2.gz ICVCQVIYEZBEIM-HNNXBMFYSA-N 2 0 286.423 2.922 20 30 CFEDRP CCc1ccc(NC(=[NH2+])NC[C@@H](C)[NH+](CC)CC)cc1 ZINC000104167100 647552431 /nfs/dbraw/zinc/55/24/31/647552431.db2.gz CJZAGPNOLVHUFR-CYBMUJFWSA-N 2 0 276.428 2.706 20 30 CFEDRP N#Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925714327 648292810 /nfs/dbraw/zinc/29/28/10/648292810.db2.gz PZTZPPCNTVKQON-RTBURBONSA-N 2 0 297.446 2.859 20 30 CFEDRP CSc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1C#N ZINC000925771290 648314318 /nfs/dbraw/zinc/31/43/18/648314318.db2.gz APXBVMKIHCMLCS-HUUCEWRRSA-N 2 0 287.432 2.640 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000930560129 649274218 /nfs/dbraw/zinc/27/42/18/649274218.db2.gz ZUHVRNPCQRYWNM-GOSISDBHSA-N 2 0 283.419 2.703 20 30 CFEDRP C#CCCCCCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000930602447 649284876 /nfs/dbraw/zinc/28/48/76/649284876.db2.gz SZEVPWZTMJGOIN-KRWDZBQOSA-N 2 0 262.441 2.988 20 30 CFEDRP N#CCCCC[NH+]1CCC2(C[NH+](Cc3ccc[nH]3)C2)CC1 ZINC001277949543 778505912 /nfs/dbraw/zinc/50/59/12/778505912.db2.gz WYUCYGGIVYQKQU-UHFFFAOYSA-N 2 0 286.423 2.606 20 30 CFEDRP CC(C)[C@@H](C#N)c1ccc(NC(=[NH2+])SCC[NH3+])cc1 ZINC001167913529 775662796 /nfs/dbraw/zinc/66/27/96/775662796.db2.gz ZEPFUTPCRZYZAV-CYBMUJFWSA-N 2 0 276.409 2.988 20 30 CFEDRP C#CCN(C)CCC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000328003844 775696353 /nfs/dbraw/zinc/69/63/53/775696353.db2.gz OLNGEKVWYFJIOG-INIZCTEOSA-N 2 0 258.409 2.909 20 30 CFEDRP C#CCN(C)CCC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000328003847 775696862 /nfs/dbraw/zinc/69/68/62/775696862.db2.gz OLNGEKVWYFJIOG-MRXNPFEDSA-N 2 0 258.409 2.909 20 30 CFEDRP CCC[NH+]1CCC([NH2+][C@@H](C)CC(C)(C)C#N)CC1 ZINC000695789977 776011811 /nfs/dbraw/zinc/01/18/11/776011811.db2.gz XWLZRQMOCWJCMB-ZDUSSCGKSA-N 2 0 251.418 2.779 20 30 CFEDRP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000695789266 776013316 /nfs/dbraw/zinc/01/33/16/776013316.db2.gz WPMHPTQNOIQGPA-UONOGXRCSA-N 2 0 251.418 2.636 20 30 CFEDRP C[N@@H+](Cc1cccc(Cl)c1C#N)CC1CC[NH+](C)CC1 ZINC001139690738 776635413 /nfs/dbraw/zinc/63/54/13/776635413.db2.gz IBLRVIYBMQOKGF-UHFFFAOYSA-N 2 0 291.826 2.985 20 30 CFEDRP C=CCOc1cccc(C[N@@H+](C)C2CCN(C)CC2)c1 ZINC001231620863 777281721 /nfs/dbraw/zinc/28/17/21/777281721.db2.gz FVYIKIKQENIDPV-UHFFFAOYSA-N 2 0 274.408 2.777 20 30 CFEDRP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(C#N)c(Cl)c1)CC2 ZINC001232117227 777445830 /nfs/dbraw/zinc/44/58/30/777445830.db2.gz WABLIALNFDXBIE-UHFFFAOYSA-N 2 0 289.810 2.739 20 30 CFEDRP Cc1c[nH+]ccc1N1CCN(Cc2ccc(C#N)s2)CC1 ZINC001232844914 777691758 /nfs/dbraw/zinc/69/17/58/777691758.db2.gz FWZQJYQGVHVQBO-UHFFFAOYSA-N 2 0 298.415 2.645 20 30 CFEDRP C=CCCCCCCCCC[N@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001235000878 778350613 /nfs/dbraw/zinc/35/06/13/778350613.db2.gz HORBXMFINLHHGG-MSOLQXFVSA-N 2 0 294.483 2.807 20 30 CFEDRP C=CCCCCCCC[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001235365595 778470181 /nfs/dbraw/zinc/47/01/81/778470181.db2.gz AONQWKQFTAYWKW-KZNAEPCWSA-N 2 0 292.467 2.966 20 30 CFEDRP C[N@H+](CCC[NH3+])Cc1ccccc1C#Cc1ccccc1 ZINC001235435606 778489626 /nfs/dbraw/zinc/48/96/26/778489626.db2.gz SLBGYPZYYOGNBF-UHFFFAOYSA-N 2 0 278.399 2.867 20 30 CFEDRP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001235750626 778552702 /nfs/dbraw/zinc/55/27/02/778552702.db2.gz QFDVLMJKMMFAAL-HXUWFJFHSA-N 2 0 290.410 2.867 20 30 CFEDRP C#CC[N@@H+](CC1(C)CC[NH2+]CC1)[C@@H]1CCc2ccccc21 ZINC001235835573 778573725 /nfs/dbraw/zinc/57/37/25/778573725.db2.gz XQEGEABHMVTYRP-GOSISDBHSA-N 2 0 282.431 2.999 20 30 CFEDRP C=CC[NH2+]CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)C1 ZINC001236178313 778726149 /nfs/dbraw/zinc/72/61/49/778726149.db2.gz JGJJWMMYBNKAKO-IBGZPJMESA-N 2 0 299.462 2.503 20 30 CFEDRP C=CCCCCCCN(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001236923915 778981202 /nfs/dbraw/zinc/98/12/02/778981202.db2.gz MXPPRDGZSUBIDR-KRWDZBQOSA-N 2 0 281.488 2.739 20 30 CFEDRP CCCCCCCCCC[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001235002607 779302533 /nfs/dbraw/zinc/30/25/33/779302533.db2.gz SOQOLLMOCAGVGH-SJORKVTESA-N 2 0 282.472 2.641 20 30 CFEDRP CCCCCCCC[NH+]1CCC(N2CC[C@H]([NH3+])C2)CC1 ZINC001236614866 779604532 /nfs/dbraw/zinc/60/45/32/779604532.db2.gz CVJIVTYAWXDBOQ-INIZCTEOSA-N 2 0 281.488 2.844 20 30 CFEDRP N#Cc1cc(-c2ccc3c(c2)CC[NH2+]C3)cc(C2C[NH2+]C2)c1 ZINC001240345854 780097305 /nfs/dbraw/zinc/09/73/05/780097305.db2.gz QYYYXTJKWLAOIW-UHFFFAOYSA-N 2 0 289.382 2.558 20 30 CFEDRP C[C@H]([NH3+])c1cccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c1 ZINC001240355054 780106584 /nfs/dbraw/zinc/10/65/84/780106584.db2.gz AXAGQENJKWOZPT-LBPRGKRZSA-N 2 0 277.371 2.932 20 30 CFEDRP C[NH+](C)C1CCC([NH2+]Cc2ccc(F)c(C#N)c2)CC1 ZINC000715585962 780174833 /nfs/dbraw/zinc/17/48/33/780174833.db2.gz ZNAKPKCQUDOLMX-UHFFFAOYSA-N 2 0 275.371 2.660 20 30 CFEDRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(C#N)c1 ZINC000594508973 349435269 /nfs/dbraw/zinc/43/52/69/349435269.db2.gz GANLAGKXXWITKC-DUVNUKRYSA-N 2 0 257.381 2.549 20 30 CFEDRP C[C@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)C[NH+](C)C ZINC000594521733 349440620 /nfs/dbraw/zinc/44/06/20/349440620.db2.gz UCNCGAVBLFUWQF-CQSZACIVSA-N 2 0 273.424 2.775 20 30 CFEDRP C[C@@H]1C[C@H](C[NH2+]C2(c3ccc(C#N)cc3)CCC2)CC[NH2+]1 ZINC000594581078 349450974 /nfs/dbraw/zinc/45/09/74/349450974.db2.gz LYXACNWECNXKSC-GDBMZVCRSA-N 2 0 283.419 2.915 20 30 CFEDRP N#Cc1ccc(C2([NH2+][C@H]3CCC[C@@H]([NH3+])C3)CCC2)cc1 ZINC000594584717 349452256 /nfs/dbraw/zinc/45/22/56/349452256.db2.gz FJDZUGPMYMHGFV-CVEARBPZSA-N 2 0 269.392 2.797 20 30 CFEDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC[N@@H+]1C ZINC000594923107 349509234 /nfs/dbraw/zinc/50/92/34/349509234.db2.gz SGPIPJWHQRYTQY-PBHICJAKSA-N 2 0 283.419 2.814 20 30 CFEDRP N#CC1(c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000594926935 349512157 /nfs/dbraw/zinc/51/21/57/349512157.db2.gz XZDPCMNLKRIOKG-QZTJIDSGSA-N 2 0 295.430 2.958 20 30 CFEDRP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594928588 349513171 /nfs/dbraw/zinc/51/31/71/349513171.db2.gz PBVFNZICCARKIV-UHFFFAOYSA-N 2 0 285.435 2.919 20 30 CFEDRP N#C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000595070506 349573005 /nfs/dbraw/zinc/57/30/05/349573005.db2.gz VKFUHFRQOZKQFR-ROUUACIJSA-N 2 0 298.434 2.575 20 30 CFEDRP C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(C#N)c(F)c1)C2 ZINC000595505030 349644800 /nfs/dbraw/zinc/64/48/00/349644800.db2.gz PNXLQPSSOOZKDP-QGZVFWFLSA-N 2 0 287.382 2.615 20 30 CFEDRP N#Cc1ccc(CC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000595884969 349761025 /nfs/dbraw/zinc/76/10/25/349761025.db2.gz KEALIYSMESOROI-MSOLQXFVSA-N 2 0 283.419 2.565 20 30 CFEDRP C[C@@H]1CC2(C[N@@H+]1CCc1ccc(C#N)cc1)CC[NH2+]CC2 ZINC000595891158 349763420 /nfs/dbraw/zinc/76/34/20/349763420.db2.gz BFJJJWRSNFPFGG-OAHLLOKOSA-N 2 0 283.419 2.565 20 30 CFEDRP N#Cc1ccc(CC[N@@H+](CCC[NH3+])CC2CCCC2)cc1 ZINC000595895162 349764329 /nfs/dbraw/zinc/76/43/29/349764329.db2.gz DFYCFHHJEFCERT-UHFFFAOYSA-N 2 0 285.435 2.942 20 30 CFEDRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000036991806 346325862 /nfs/dbraw/zinc/32/58/62/346325862.db2.gz RSTGYGHRWXLGHZ-KGLIPLIRSA-N 2 0 271.408 2.939 20 30 CFEDRP C=CCCSCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000596652383 349968915 /nfs/dbraw/zinc/96/89/15/349968915.db2.gz TTWIQTGUYMBELI-KFWWJZLASA-N 2 0 268.470 2.806 20 30 CFEDRP C=CCCSCC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000596650152 349968950 /nfs/dbraw/zinc/96/89/50/349968950.db2.gz IFKJBDMGKKJZSW-GOEBONIOSA-N 2 0 278.465 2.844 20 30 CFEDRP C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151284710 347960825 /nfs/dbraw/zinc/96/08/25/347960825.db2.gz CFMUIKYXJDRJGW-OAHLLOKOSA-N 2 0 292.386 2.836 20 30 CFEDRP C=CC1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000580083622 348672656 /nfs/dbraw/zinc/67/26/56/348672656.db2.gz BRBJVGILVISEKF-UHFFFAOYSA-N 2 0 256.393 2.730 20 30 CFEDRP C[C@@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)C[NH+](C)C ZINC000589949311 348864792 /nfs/dbraw/zinc/86/47/92/348864792.db2.gz IXALLWXBEHUUPH-SUMWQHHRSA-N 2 0 271.408 2.723 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000591577867 349030662 /nfs/dbraw/zinc/03/06/62/349030662.db2.gz KBMPZFYDLHQWSS-RHSMWYFYSA-N 2 0 269.392 2.525 20 30 CFEDRP N#Cc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1Cl ZINC000591573337 349030811 /nfs/dbraw/zinc/03/08/11/349030811.db2.gz MWTHIGGOURNROD-UHFFFAOYSA-N 2 0 277.799 2.819 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCC([NH3+])CC1 ZINC000591578016 349032271 /nfs/dbraw/zinc/03/22/71/349032271.db2.gz MINUCVWNVIBEOY-DQPZFDDXSA-N 2 0 269.392 2.795 20 30 CFEDRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594495083 349429426 /nfs/dbraw/zinc/42/94/26/349429426.db2.gz LVIGGGPHPAHAHC-INIZCTEOSA-N 2 0 285.435 2.919 20 30 CFEDRP C[N@@H+]1CCCC[C@H]1CCN1CCc2c(CC#N)cccc2C1 ZINC000599686007 350482176 /nfs/dbraw/zinc/48/21/76/350482176.db2.gz LTOKOBKWAIWKQM-SFHVURJKSA-N 2 0 297.446 2.985 20 30 CFEDRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000602019102 350833149 /nfs/dbraw/zinc/83/31/49/350833149.db2.gz AVEGEOJEFAKZQI-WBVHZDCISA-N 2 0 283.419 2.913 20 30 CFEDRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602019334 350833287 /nfs/dbraw/zinc/83/32/87/350833287.db2.gz DVZFTUBNNKDVRZ-ZDUSSCGKSA-N 2 0 275.371 2.519 20 30 CFEDRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cccc(C#N)n2)c1 ZINC000602545960 350919452 /nfs/dbraw/zinc/91/94/52/350919452.db2.gz ULLJMIGTDBWNKN-UHFFFAOYSA-N 2 0 294.402 2.695 20 30 CFEDRP C[NH+](C)CC1CCC([NH2+]C2CCC(C#N)CC2)CC1 ZINC000602580488 350932468 /nfs/dbraw/zinc/93/24/68/350932468.db2.gz HDCILGGNSJNCBK-UHFFFAOYSA-N 2 0 263.429 2.779 20 30 CFEDRP CCC[NH+]1CCC([NH2+][C@@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602588316 350937195 /nfs/dbraw/zinc/93/71/95/350937195.db2.gz VISLMOISTHDIOU-HNNXBMFYSA-N 2 0 293.455 2.549 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](C)CCC#N)[C@@H](C)C1 ZINC000602473352 350896405 /nfs/dbraw/zinc/89/64/05/350896405.db2.gz GBKCQXJJOXUFCA-ILXRZTDVSA-N 2 0 251.418 2.588 20 30 CFEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000602688964 350980506 /nfs/dbraw/zinc/98/05/06/350980506.db2.gz UPCCPNJSAMIGEE-HNNXBMFYSA-N 2 0 293.455 2.549 20 30 CFEDRP CC[NH+](CC)CC1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602763121 351017504 /nfs/dbraw/zinc/01/75/04/351017504.db2.gz AZPKGWBNGRKRPN-UHFFFAOYSA-N 2 0 263.429 2.734 20 30 CFEDRP Cc1cc(C#N)ccc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602876783 351055129 /nfs/dbraw/zinc/05/51/29/351055129.db2.gz AHWDBYPHTJMBOD-UHFFFAOYSA-N 2 0 283.419 2.784 20 30 CFEDRP C[C@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2F)CC[N@@H+]1C ZINC000123841945 187110824 /nfs/dbraw/zinc/11/08/24/187110824.db2.gz OAGDRJRAXRBSQO-WFASDCNBSA-N 2 0 275.371 2.612 20 30 CFEDRP C[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2F)CC[N@@H+]1C ZINC000123841753 187111223 /nfs/dbraw/zinc/11/12/23/187111223.db2.gz OAGDRJRAXRBSQO-DOMZBBRYSA-N 2 0 275.371 2.612 20 30 CFEDRP Cc1cc(C#N)ccc1CN1CCC2(CCC[N@H+]2C)CC1 ZINC000614403399 352090379 /nfs/dbraw/zinc/09/03/79/352090379.db2.gz WNRFNGAVJXXTSN-UHFFFAOYSA-N 2 0 283.419 2.927 20 30 CFEDRP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000618801350 352883362 /nfs/dbraw/zinc/88/33/62/352883362.db2.gz ADRPYPDNCWZYOW-NUJGCVRESA-N 2 0 281.403 2.762 20 30 CFEDRP C=CC[C@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](CC=C)C2)C1 ZINC000625703893 354091638 /nfs/dbraw/zinc/09/16/38/354091638.db2.gz LRYPSXYVXNFEEH-ROUUACIJSA-N 2 0 292.467 2.799 20 30 CFEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC1([NH3+])CCC1 ZINC000335021745 283191780 /nfs/dbraw/zinc/19/17/80/283191780.db2.gz DSGVSIYRZBCGPT-MRXNPFEDSA-N 2 0 269.392 2.797 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000423274551 283198401 /nfs/dbraw/zinc/19/84/01/283198401.db2.gz MALYBUJCIQQIBV-SUMWQHHRSA-N 2 0 269.392 2.525 20 30 CFEDRP C(#CC[N@@H+]1CC[C@H]2CCC[C@H]21)C[NH+]1CC[C@@H]2CCC[C@@H]21 ZINC000671243432 540590760 /nfs/dbraw/zinc/59/07/60/540590760.db2.gz GQLBHLNBZJFZBG-USTZCAOPSA-N 2 0 272.436 2.739 20 30 CFEDRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000176976391 189018033 /nfs/dbraw/zinc/01/80/33/189018033.db2.gz PKZBWBHUTPYCRZ-UHFFFAOYSA-N 2 0 277.437 2.831 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(C#N)c(F)c1 ZINC000423277193 238335137 /nfs/dbraw/zinc/33/51/37/238335137.db2.gz NWDXPEJGZBQBAA-SGIREYDYSA-N 2 0 275.371 2.865 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(C#N)cc1F ZINC000423555014 238526227 /nfs/dbraw/zinc/52/62/27/238526227.db2.gz XPTBGDNCUZKDJK-ZGKBOVNRSA-N 2 0 287.382 2.736 20 30 CFEDRP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc(C#N)cc2)c1 ZINC000048709876 373215768 /nfs/dbraw/zinc/21/57/68/373215768.db2.gz GMMOKSAEVWUTEV-UHFFFAOYSA-N 2 0 279.387 2.910 20 30 CFEDRP COc1ccc(NC(=[NH2+])NCC[NH+](C(C)C)C(C)C)cc1 ZINC000264126947 383698272 /nfs/dbraw/zinc/69/82/72/383698272.db2.gz SMAZNTOSYYBMDU-UHFFFAOYSA-N 2 0 292.427 2.541 20 30 CFEDRP CC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+](C)C(C)C ZINC000264151080 383701445 /nfs/dbraw/zinc/70/14/45/383701445.db2.gz ZGSYVNMPNUDEQW-CQSZACIVSA-N 2 0 290.455 2.730 20 30 CFEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(C)(C)C#N)[C@H](C)C1 ZINC000119684702 376452129 /nfs/dbraw/zinc/45/21/29/376452129.db2.gz QJJDSBVWGZCSOL-ZIAGYGMSSA-N 2 0 251.418 2.588 20 30 CFEDRP Cn1ccnc1C[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000123831612 376986212 /nfs/dbraw/zinc/98/62/12/376986212.db2.gz WLKCMVXNUPWPMD-QGZVFWFLSA-N 2 0 294.402 2.746 20 30 CFEDRP Cc1nccn1CCC[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000130829275 377618671 /nfs/dbraw/zinc/61/86/71/377618671.db2.gz FKNVGKIQVOKJGU-UHFFFAOYSA-N 2 0 285.366 2.704 20 30 CFEDRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000164516098 379017545 /nfs/dbraw/zinc/01/75/45/379017545.db2.gz IAZNJQZSZCWNIM-CQSZACIVSA-N 2 0 271.408 2.941 20 30 CFEDRP C[C@@]1(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CCC[NH2+]C1 ZINC000335492864 379396444 /nfs/dbraw/zinc/39/64/44/379396444.db2.gz RXPHDTZORGHQSI-IAGOWNOFSA-N 2 0 269.392 2.525 20 30 CFEDRP N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000335537444 379475239 /nfs/dbraw/zinc/47/52/39/379475239.db2.gz BWCHCMNBVSOPDW-IAGOWNOFSA-N 2 0 269.392 2.522 20 30 CFEDRP N#Cc1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000335537445 379475317 /nfs/dbraw/zinc/47/53/17/379475317.db2.gz BWCHCMNBVSOPDW-IRXDYDNUSA-N 2 0 269.392 2.522 20 30 CFEDRP CCN1CCCC[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000174377189 379873380 /nfs/dbraw/zinc/87/33/80/379873380.db2.gz UHRMMTBNNCZHMB-AWEZNQCLSA-N 2 0 251.418 2.780 20 30 CFEDRP N#C[C@@H]1CCC[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000335020269 379957225 /nfs/dbraw/zinc/95/72/25/379957225.db2.gz HFMLFHKSGMDLOY-BWZWCVMUSA-N 2 0 287.451 2.812 20 30 CFEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000335020118 379957543 /nfs/dbraw/zinc/95/75/43/379957543.db2.gz ZAPRPLGGTNPAHU-MAUKXSAKSA-N 2 0 283.419 2.915 20 30 CFEDRP N#C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000336423235 380343692 /nfs/dbraw/zinc/34/36/92/380343692.db2.gz BUSUDWWJEKRUJE-UKRRQHHQSA-N 2 0 261.413 2.675 20 30 CFEDRP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000411300948 381021462 /nfs/dbraw/zinc/02/14/62/381021462.db2.gz NGQWSMIPSXOLQX-OAHLLOKOSA-N 2 0 281.444 2.501 20 30 CFEDRP CCCn1ccnc1CCC[N@H+](C)Cc1ccc(C#N)o1 ZINC000290582053 381487012 /nfs/dbraw/zinc/48/70/12/381487012.db2.gz URWVAQNFMQMPES-UHFFFAOYSA-N 2 0 286.379 2.822 20 30 CFEDRP C[C@H]([NH2+]CCCSCC#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185668193 381697498 /nfs/dbraw/zinc/69/74/98/381697498.db2.gz DXVLVPPIGGZSLT-LSDHHAIUSA-N 2 0 295.496 2.876 20 30 CFEDRP C[C@@H]([NH2+]CCCCC#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185693216 381706013 /nfs/dbraw/zinc/70/60/13/381706013.db2.gz KEHDVHJKEILOFK-HUUCEWRRSA-N 2 0 263.429 2.923 20 30 CFEDRP C[NH+](C)CCC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360824061 381791612 /nfs/dbraw/zinc/79/16/12/381791612.db2.gz YAWIQNCGGNTQSX-QGZVFWFLSA-N 2 0 271.408 2.867 20 30 CFEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000185878250 381764685 /nfs/dbraw/zinc/76/46/85/381764685.db2.gz PSCMXHACEFEDDX-IAGOWNOFSA-N 2 0 298.434 2.970 20 30 CFEDRP C[N@H+](CCC[NH+]1CCCC1)CC(C)(C)CCC#N ZINC000343601028 381831025 /nfs/dbraw/zinc/83/10/25/381831025.db2.gz JTIQMNOQURPSAR-UHFFFAOYSA-N 2 0 251.418 2.734 20 30 CFEDRP C=CCOCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364352143 382313986 /nfs/dbraw/zinc/31/39/86/382313986.db2.gz IYQXDWXBJRTVAE-AEFFLSMTSA-N 2 0 288.435 2.689 20 30 CFEDRP C=CC[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1F ZINC000420303501 382353352 /nfs/dbraw/zinc/35/33/52/382353352.db2.gz KLVNAQTWFHZQBA-CQSZACIVSA-N 2 0 262.372 2.813 20 30 CFEDRP C=CC[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cccc([N+](=O)[O-])c1 ZINC000420311014 382359762 /nfs/dbraw/zinc/35/97/62/382359762.db2.gz VRWWVBMQQLEDIW-CQSZACIVSA-N 2 0 289.379 2.582 20 30 CFEDRP C[N@H+](Cc1ccc(CC#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353151654 382500179 /nfs/dbraw/zinc/50/01/79/382500179.db2.gz GLCWBFPJIZLHLS-JWTNVVGKSA-N 2 0 283.419 2.810 20 30 CFEDRP C=CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000358292065 382551410 /nfs/dbraw/zinc/55/14/10/382551410.db2.gz GXHMSLDGVIJRBV-BZSNNMDCSA-N 2 0 292.467 2.699 20 30 CFEDRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)CCN1C ZINC000353253283 382531174 /nfs/dbraw/zinc/53/11/74/382531174.db2.gz LBSPLLAHXONSSE-SRCQZFHVSA-N 2 0 269.392 2.618 20 30 CFEDRP C=C(CC)C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000346961988 382588545 /nfs/dbraw/zinc/58/85/45/382588545.db2.gz AIXCJUXAZWYTFB-RDJZCZTQSA-N 2 0 273.424 2.848 20 30 CFEDRP CC[NH+](CC)CCCN(C)Cc1ccc(C#N)cc1 ZINC000193468992 382720070 /nfs/dbraw/zinc/72/00/70/382720070.db2.gz JDDMFWIEPMDHIX-UHFFFAOYSA-N 2 0 259.397 2.722 20 30 CFEDRP CN(CCC[NH+]1CCCC1)Cc1ccc(CC#N)cc1 ZINC000337285027 382794010 /nfs/dbraw/zinc/79/40/10/382794010.db2.gz ZOBUXISGZBISAO-UHFFFAOYSA-N 2 0 271.408 2.670 20 30 CFEDRP C[N@H+](CCC[NH2+][C@H]1CC[C@H](C#N)C1)Cc1ccccc1 ZINC000442635616 382939713 /nfs/dbraw/zinc/93/97/13/382939713.db2.gz KCSPZMSUFRVBED-IRXDYDNUSA-N 2 0 271.408 2.790 20 30 CFEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000442712416 382947960 /nfs/dbraw/zinc/94/79/60/382947960.db2.gz GJIKRHQWNJLNIG-QXSJWSMHSA-N 2 0 263.429 2.636 20 30 CFEDRP C=CCCC[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000539248121 382961057 /nfs/dbraw/zinc/96/10/57/382961057.db2.gz LDAVOWJVZOWOGT-MSOLQXFVSA-N 2 0 293.499 2.832 20 30 CFEDRP CC(C)(C[NH2+][C@@H]1CCC[C@H](C#N)C1)C[NH+]1CCCC1 ZINC000446782967 382992300 /nfs/dbraw/zinc/99/23/00/382992300.db2.gz HJACMNKKCRVMSX-LSDHHAIUSA-N 2 0 263.429 2.780 20 30 CFEDRP CC(C)(C[NH2+][C@@H]1CCC[C@@H](C#N)C1)C[NH+]1CCCC1 ZINC000446782966 382992904 /nfs/dbraw/zinc/99/29/04/382992904.db2.gz HJACMNKKCRVMSX-HUUCEWRRSA-N 2 0 263.429 2.780 20 30 CFEDRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCSCc1ccccc1C#N ZINC000422986129 382997492 /nfs/dbraw/zinc/99/74/92/382997492.db2.gz GJPMXTGCZONXCI-STQMWFEESA-N 2 0 277.437 2.507 20 30 CFEDRP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000423366893 383066404 /nfs/dbraw/zinc/06/64/04/383066404.db2.gz QUFKGEKQJUICHP-CVEARBPZSA-N 2 0 257.381 2.741 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)[C@H]2CCC[C@@H]21 ZINC000564656450 383171740 /nfs/dbraw/zinc/17/17/40/383171740.db2.gz RGLUAMQDTYLTTE-SQNIBIBYSA-N 2 0 283.419 2.715 20 30 CFEDRP N#C[C@@H]1CC[C@H]([NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000339139150 383163748 /nfs/dbraw/zinc/16/37/48/383163748.db2.gz BFKNTSOSUKNJQD-MKXGPGLRSA-N 2 0 295.430 2.742 20 30 CFEDRP C=CCOc1cccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000519831251 383240670 /nfs/dbraw/zinc/24/06/70/383240670.db2.gz FYHKGKQQODSFDS-ZFWWWQNUSA-N 2 0 260.381 2.563 20 30 CFEDRP C=C(CC)CNCc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000449733118 383363498 /nfs/dbraw/zinc/36/34/98/383363498.db2.gz GJLPAAHWZFNKEO-UHFFFAOYSA-N 2 0 279.453 2.965 20 30 CFEDRP C[NH+](C)CCC1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000340961271 383510753 /nfs/dbraw/zinc/51/07/53/383510753.db2.gz ZBUOFLAQTOCYSF-UHFFFAOYSA-N 2 0 289.398 2.861 20 30 CFEDRP C=CCOc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435439425 383775526 /nfs/dbraw/zinc/77/55/26/383775526.db2.gz UZIUPXIYTIMARC-MRXNPFEDSA-N 2 0 274.408 2.825 20 30 CFEDRP C=CCC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435619704 383777956 /nfs/dbraw/zinc/77/79/56/383777956.db2.gz ZVGSZYBPYPECAC-MRXNPFEDSA-N 2 0 259.397 2.602 20 30 CFEDRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000271980028 385418057 /nfs/dbraw/zinc/41/80/57/385418057.db2.gz YNNMQATZZOTOIN-OLZOCXBDSA-N 2 0 287.382 2.832 20 30 CFEDRP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000423221119 533502747 /nfs/dbraw/zinc/50/27/47/533502747.db2.gz WGWQPMMDSRDWTG-YWPYICTPSA-N 2 0 275.371 2.736 20 30 CFEDRP CSC1(C[NH2+]CC(C)(C)CCC#N)CC[NH+](C)CC1 ZINC000353190061 533509408 /nfs/dbraw/zinc/50/94/08/533509408.db2.gz IVONWKKRNAVIPV-UHFFFAOYSA-N 2 0 283.485 2.733 20 30 CFEDRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000249370475 131121986 /nfs/dbraw/zinc/12/19/86/131121986.db2.gz AZAKLTRTMPQTND-UKRRQHHQSA-N 2 0 257.381 2.551 20 30 CFEDRP C[C@H]([NH2+]CCCCC#N)c1ccc(OCC[NH+](C)C)cc1 ZINC000178640578 393445927 /nfs/dbraw/zinc/44/59/27/393445927.db2.gz SRJREEPUKNSWHZ-HNNXBMFYSA-N 2 0 289.423 2.971 20 30 CFEDRP CC[NH+](CC)CC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000338912237 393804613 /nfs/dbraw/zinc/80/46/13/393804613.db2.gz OPOKVGPIHBNMOS-JKSUJKDBSA-N 2 0 263.429 2.732 20 30 CFEDRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCCC#N)CC2)C1 ZINC000346326694 393926591 /nfs/dbraw/zinc/92/65/91/393926591.db2.gz YVWOOKUEAZNSJG-ZBFHGGJFSA-N 2 0 263.429 2.923 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@H]2CCC[C@@H]21 ZINC000453375192 394392325 /nfs/dbraw/zinc/39/23/25/394392325.db2.gz HWOXZUDHGDRZJK-PVAVHDDUSA-N 2 0 287.382 2.660 20 30 CFEDRP C[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1ccc(C#N)c(F)c1 ZINC000547979784 394900783 /nfs/dbraw/zinc/90/07/83/394900783.db2.gz HQXXCEACBIGGMN-RISCZKNCSA-N 2 0 284.338 2.559 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]CCc2cccc(C#N)c2)[C@H]2CCC[C@H]21 ZINC000375841320 157294661 /nfs/dbraw/zinc/29/46/61/157294661.db2.gz RPZBJVOCUZISLY-FGTMMUONSA-N 2 0 283.419 2.563 20 30 CFEDRP C[NH+]1CCC2(CCC[N@H+](Cc3cccc(C#N)c3)C2)CC1 ZINC000376000725 157314202 /nfs/dbraw/zinc/31/42/02/157314202.db2.gz QSFONXFCRWIHHK-UHFFFAOYSA-N 2 0 283.419 2.866 20 30 CFEDRP C=CC[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000651713828 413586257 /nfs/dbraw/zinc/58/62/57/413586257.db2.gz GLVDKMIMVFYSPZ-IKGGRYGDSA-N 2 0 280.456 2.558 20 30 CFEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000651719170 413590569 /nfs/dbraw/zinc/59/05/69/413590569.db2.gz KZBAURCKDJMORM-JFIYKMOQSA-N 2 0 292.467 2.822 20 30 CFEDRP C=CCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccco1 ZINC000285520271 196312889 /nfs/dbraw/zinc/31/28/89/196312889.db2.gz BCQVYVYGCGFQPS-HOTGVXAUSA-N 2 0 291.439 2.512 20 30 CFEDRP C=CC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)CC1CCCCC1 ZINC000662254089 414480070 /nfs/dbraw/zinc/48/00/70/414480070.db2.gz FDRLRTATKZXDJJ-MRXNPFEDSA-N 2 0 278.440 2.576 20 30 CFEDRP C=CCCC[C@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325344 414507494 /nfs/dbraw/zinc/50/74/94/414507494.db2.gz MBUSQOMJZGBYKU-HOTGVXAUSA-N 2 0 268.445 2.774 20 30 CFEDRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000044517845 175190695 /nfs/dbraw/zinc/19/06/95/175190695.db2.gz ODMIMKFMACODNZ-AWEZNQCLSA-N 2 0 271.408 2.941 20 30 CFEDRP C=CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037408289 260101397 /nfs/dbraw/zinc/10/13/97/260101397.db2.gz WCZIELBZPRJIBI-MRXNPFEDSA-N 2 0 286.419 2.825 20 30 CFEDRP CC(C)(C#N)CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000119673270 260634955 /nfs/dbraw/zinc/63/49/55/260634955.db2.gz ZNVHLMVBQNUHSO-OAHLLOKOSA-N 2 0 263.429 2.877 20 30 CFEDRP CC[N@H+](C)C[C@H]1CC[NH+](CCCC(C)(C)C#N)C1 ZINC000174881118 261201720 /nfs/dbraw/zinc/20/17/20/261201720.db2.gz TUCKPZJFSIOCBJ-CQSZACIVSA-N 2 0 251.418 2.590 20 30 CFEDRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCCC(C)(C)C#N)C1 ZINC000336806065 262395598 /nfs/dbraw/zinc/39/55/98/262395598.db2.gz DBGFOVYYNDDYBD-HNNXBMFYSA-N 2 0 265.445 2.980 20 30 CFEDRP CC[NH+](CC)CC1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000411170190 262682123 /nfs/dbraw/zinc/68/21/23/262682123.db2.gz AFRXODFDTXFOOO-CQSZACIVSA-N 2 0 251.418 2.732 20 30 CFEDRP CC[N@@H+]1CC[C@H](N(C)CC#Cc2ccc(F)cc2)[C@H](C)C1 ZINC000125745979 264026357 /nfs/dbraw/zinc/02/63/57/264026357.db2.gz XUBOAIKJPUTSEA-QAPCUYQASA-N 2 0 288.410 2.839 20 30 CFEDRP C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)[C@@H]1CCC[NH2+]C1 ZINC000423218654 274529330 /nfs/dbraw/zinc/52/93/30/274529330.db2.gz SFAWSBSJZNQTSO-MJEQTWJJSA-N 2 0 269.392 2.523 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000423468115 274926899 /nfs/dbraw/zinc/92/68/99/274926899.db2.gz JIGRLMDRYCYOQE-JLJPHGGASA-N 2 0 269.392 2.653 20 30 CFEDRP C#Cc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000290609455 275387219 /nfs/dbraw/zinc/38/72/19/275387219.db2.gz WJIZBIHEUUDPPR-MSOLQXFVSA-N 2 0 268.404 2.584 20 30 CFEDRP C[NH+](C)CC1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000119881410 276758306 /nfs/dbraw/zinc/75/83/06/276758306.db2.gz RAFWONFBWKTRIL-UHFFFAOYSA-N 2 0 271.408 2.768 20 30 CFEDRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc(C#N)cc1 ZINC000423480344 278265159 /nfs/dbraw/zinc/26/51/59/278265159.db2.gz VTHSWNDYHBAXMK-NOLJZWGESA-N 2 0 257.381 2.726 20 30 CFEDRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000020129003 278344612 /nfs/dbraw/zinc/34/46/12/278344612.db2.gz RJTWZSIKYDKUPK-CQSZACIVSA-N 2 0 257.381 2.695 20 30 CFEDRP CC[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000278696253 280186430 /nfs/dbraw/zinc/18/64/30/280186430.db2.gz KQYLGPODXWHKPL-MRXNPFEDSA-N 2 0 259.397 2.941 20 30 CFEDRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423265226 289961751 /nfs/dbraw/zinc/96/17/51/289961751.db2.gz ZSNQZRHJHSLZFO-DZGCQCFKSA-N 2 0 257.381 2.599 20 30 CFEDRP C=CCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)c1ccccc1 ZINC000571341087 328112699 /nfs/dbraw/zinc/11/26/99/328112699.db2.gz ZQXQJPUUODCWAD-DLBZAZTESA-N 2 0 276.424 2.596 20 30 CFEDRP C[C@H](CCNC(=[NH2+])Nc1ccccc1)[NH+]1CCCCC1 ZINC000273335762 328204977 /nfs/dbraw/zinc/20/49/77/328204977.db2.gz LAKJNCZBJDNOOK-CQSZACIVSA-N 2 0 274.412 2.678 20 30 CFEDRP Cc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1C#N ZINC000583720721 325306081 /nfs/dbraw/zinc/30/60/81/325306081.db2.gz VRTROSUDGLSKAA-ZWKOTPCHSA-N 2 0 283.419 2.783 20 30 CFEDRP C#CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000378301170 329045319 /nfs/dbraw/zinc/04/53/19/329045319.db2.gz GXAZPXZERQXZAC-UHFFFAOYSA-N 2 0 268.404 2.608 20 30 CFEDRP C[NH+](C)CC1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCCC1 ZINC000185899610 329334565 /nfs/dbraw/zinc/33/45/65/329334565.db2.gz DOKYHCGAAQZHAU-HUUCEWRRSA-N 2 0 263.429 2.780 20 30 CFEDRP N#CCc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000580432014 330131636 /nfs/dbraw/zinc/13/16/36/330131636.db2.gz KKCKLLYSHZANII-JKSUJKDBSA-N 2 0 257.381 2.502 20 30 CFEDRP C=CCN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422857010 330157684 /nfs/dbraw/zinc/15/76/84/330157684.db2.gz GJMCUBTUVGYETO-FGTMMUONSA-N 2 0 291.483 2.537 20 30 CFEDRP C=CCN1CCC([NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000422861257 330158097 /nfs/dbraw/zinc/15/80/97/330158097.db2.gz NUAMIHKBQXCYLA-DOTOQJQBSA-N 2 0 279.472 2.537 20 30 CFEDRP N#CCCCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422971070 330164726 /nfs/dbraw/zinc/16/47/26/330164726.db2.gz HQJFKTKXEUKXLD-DOTOQJQBSA-N 2 0 285.391 2.526 20 30 CFEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423096716 330169809 /nfs/dbraw/zinc/16/98/09/330169809.db2.gz PPTXYISWOAZADB-SFFUCWETSA-N 2 0 292.467 2.868 20 30 CFEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423161878 330173581 /nfs/dbraw/zinc/17/35/81/330173581.db2.gz SQTGAHYFYWYETI-AALSBFMBSA-N 2 0 261.413 2.579 20 30 CFEDRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000423296573 330188504 /nfs/dbraw/zinc/18/85/04/330188504.db2.gz ZLFUYYSAOOPWAT-NOLJZWGESA-N 2 0 257.381 2.878 20 30 CFEDRP C=CCC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CC1 ZINC000423499423 330208172 /nfs/dbraw/zinc/20/81/72/330208172.db2.gz AWULDXLXVVPDQD-ABHNRTSZSA-N 2 0 291.483 2.537 20 30 CFEDRP C#CCN(C)CCC[NH2+][C@@H](CC)c1cccs1 ZINC000328050116 330290619 /nfs/dbraw/zinc/29/06/19/330290619.db2.gz ZBPRHWILQAAHFD-ZDUSSCGKSA-N 2 0 250.411 2.744 20 30 CFEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000424378516 330349043 /nfs/dbraw/zinc/34/90/43/330349043.db2.gz SVZPECNYLJRQTJ-YIDVYQOGSA-N 2 0 261.413 2.579 20 30 CFEDRP C=C(C)C[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000119652650 330378186 /nfs/dbraw/zinc/37/81/86/330378186.db2.gz ZKKOIFKTXGYWJD-UHFFFAOYSA-N 2 0 287.451 2.884 20 30 CFEDRP C=CCOc1ccc(C[NH2+]CCCC[NH+](C)C)cc1 ZINC000045598407 519034838 /nfs/dbraw/zinc/03/48/38/519034838.db2.gz ZWRURPSFVPICIN-UHFFFAOYSA-N 2 0 262.397 2.683 20 30 CFEDRP C[NH+](C)CC1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000162884883 524049812 /nfs/dbraw/zinc/04/98/12/524049812.db2.gz SVKYPYAKKBRCQO-UHFFFAOYSA-N 2 0 291.826 2.985 20 30 CFEDRP C=CCOc1cccc(C[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000352534762 526898770 /nfs/dbraw/zinc/89/87/70/526898770.db2.gz IWJKLQSFJPZCRJ-INIZCTEOSA-N 2 0 274.408 2.955 20 30 CFEDRP C=CCOc1cccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000347197901 526900038 /nfs/dbraw/zinc/90/00/38/526900038.db2.gz IGXMXOOBSDWAHR-ZBFHGGJFSA-N 2 0 274.408 2.811 20 30 CFEDRP C=CCOc1ccccc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000347129903 526931902 /nfs/dbraw/zinc/93/19/02/526931902.db2.gz QDBAULLPRZGSTE-CABCVRRESA-N 2 0 274.408 2.811 20 30 CFEDRP C=CCC[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccco1 ZINC000353501015 527483992 /nfs/dbraw/zinc/48/39/92/527483992.db2.gz HKJGHQOLXUCKMO-INIZCTEOSA-N 2 0 292.423 2.581 20 30 CFEDRP CC(C)CN(CCC#N)Cc1ccc(-n2ccnc2)nc1 ZINC000750048181 574322484 /nfs/dbraw/zinc/32/24/84/574322484.db2.gz UMOFIQMPAASQSA-UHFFFAOYSA-N 2 0 283.379 2.639 20 30 CFEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCCCC[NH3+])CC2 ZINC000843341529 617603191 /nfs/dbraw/zinc/60/31/91/617603191.db2.gz JFRQHLKJUOCRNZ-INIZCTEOSA-N 2 0 257.381 2.654 20 30 CFEDRP Cc1cccc(NC(=[NH2+])NCCC[NH+]2CCC(C)CC2)c1 ZINC000104157336 617951206 /nfs/dbraw/zinc/95/12/06/617951206.db2.gz YVZNAFZDEBUEQJ-UHFFFAOYSA-N 2 0 288.439 2.844 20 30 CFEDRP N#CC1CCC(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)CC1 ZINC000930806345 618277603 /nfs/dbraw/zinc/27/76/03/618277603.db2.gz PDECOJPXSCKJJP-UHFFFAOYSA-N 2 0 298.434 2.924 20 30 CFEDRP N#Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1Cl ZINC000925667586 618436109 /nfs/dbraw/zinc/43/61/09/618436109.db2.gz VRBOOZCEPDDUPK-ZIAGYGMSSA-N 2 0 275.783 2.571 20 30 CFEDRP CC(C)(CCC#N)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925671393 618441872 /nfs/dbraw/zinc/44/18/72/618441872.db2.gz DBTHTSIBIDYNON-OLZOCXBDSA-N 2 0 251.418 2.812 20 30 CFEDRP CC(C)(CCC#N)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925670939 618442306 /nfs/dbraw/zinc/44/23/06/618442306.db2.gz AYYYLBIIWRTKSB-HZSPNIEDSA-N 2 0 263.429 2.683 20 30 CFEDRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCc2ccc(C#N)cc2)C1 ZINC000925713678 618968468 /nfs/dbraw/zinc/96/84/68/618968468.db2.gz MOXPMQSCYJBTMM-JKSUJKDBSA-N 2 0 271.408 2.596 20 30 CFEDRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(OCC#N)cc1 ZINC000317375838 619113452 /nfs/dbraw/zinc/11/34/52/619113452.db2.gz HSRHJDDKUCZYNH-BHYGNILZSA-N 2 0 299.418 2.866 20 30 CFEDRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1C#N ZINC000925837342 619168732 /nfs/dbraw/zinc/16/87/32/619168732.db2.gz GDFGZURUSTXNLB-OKZBNKHCSA-N 2 0 283.419 2.877 20 30 CFEDRP CSc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1C#N ZINC000896046178 619659568 /nfs/dbraw/zinc/65/95/68/619659568.db2.gz QCVPOBZKTODXNQ-UHFFFAOYSA-N 2 0 289.448 2.712 20 30 CFEDRP CC#CC[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000897166279 619942350 /nfs/dbraw/zinc/94/23/50/619942350.db2.gz LJRUZXVMGPQWIU-UHFFFAOYSA-N 2 0 299.462 2.672 20 30 CFEDRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000902797443 621180153 /nfs/dbraw/zinc/18/01/53/621180153.db2.gz WDIUZJLVBQPHQU-DOTOQJQBSA-N 2 0 271.408 2.941 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000903447438 621385057 /nfs/dbraw/zinc/38/50/57/621385057.db2.gz SEKHMHSUKNZTOV-UHFFFAOYSA-N 2 0 283.419 2.751 20 30 CFEDRP CC[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)CC[C@@H]1[NH3+] ZINC000903746347 621431868 /nfs/dbraw/zinc/43/18/68/621431868.db2.gz GCEQEUMGIMFQSO-CABCVRRESA-N 2 0 263.429 2.910 20 30 CFEDRP N#Cc1cccc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000903959400 621479953 /nfs/dbraw/zinc/47/99/53/621479953.db2.gz HKKKLMWNAGCCIU-KRWDZBQOSA-N 2 0 269.392 2.524 20 30 CFEDRP C[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1cccc(C#N)c1 ZINC000903950390 621487173 /nfs/dbraw/zinc/48/71/73/621487173.db2.gz MOUAOMDTUSPUEO-VNHYZAJKSA-N 2 0 257.381 2.597 20 30 CFEDRP CC(C)(Cc1ccc(C#N)cc1)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903988850 621500027 /nfs/dbraw/zinc/50/00/27/621500027.db2.gz YTRJPELXLKXYIA-AYHJJNSGSA-N 2 0 297.446 3.000 20 30 CFEDRP C=CCOc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000904411830 621592560 /nfs/dbraw/zinc/59/25/60/621592560.db2.gz OBXNZJFVUGIDOJ-GDBMZVCRSA-N 2 0 274.408 2.668 20 30 CFEDRP C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000157652892 623044394 /nfs/dbraw/zinc/04/43/94/623044394.db2.gz FJMUWJRUXQCEHG-DZKIICNBSA-N 2 0 287.407 2.722 20 30 CFEDRP C#CC[C@H]1CCC[N@@H+](CCCCn2ccnc2C)C1 ZINC000829805083 624545473 /nfs/dbraw/zinc/54/54/73/624545473.db2.gz OLQZINNYXQKZHD-INIZCTEOSA-N 2 0 259.397 2.707 20 30 CFEDRP C#CC[C@H]1CCC[N@H+](CCC[NH+]2CCC[C@@H](CC#C)C2)C1 ZINC000829809463 624549730 /nfs/dbraw/zinc/54/97/30/624549730.db2.gz BLANQOIHXFYIHJ-KDURUIRLSA-N 2 0 286.463 2.847 20 30 CFEDRP c1nncn1[NH+]=C1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]12 ZINC000834911592 625920084 /nfs/dbraw/zinc/92/00/84/625920084.db2.gz DBUFKBGFRCJKQW-WBVHZDCISA-N 2 0 295.390 2.557 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000921551123 625985051 /nfs/dbraw/zinc/98/50/51/625985051.db2.gz ZOKWJNDGUZTXGB-DLBZAZTESA-N 2 0 283.419 2.892 20 30 CFEDRP N#Cc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)o1 ZINC000923506106 626477809 /nfs/dbraw/zinc/47/78/09/626477809.db2.gz HAOYPFPWHOZFJZ-AWEZNQCLSA-N 2 0 287.407 2.753 20 30 CFEDRP C#CCCC[NH+]1CCC(C[N@@H+](C)CCCC)CC1 ZINC000766894562 627225209 /nfs/dbraw/zinc/22/52/09/627225209.db2.gz FADGACCAJCSYQC-UHFFFAOYSA-N 2 0 250.430 2.844 20 30 CFEDRP C=CCCCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000769936175 627489383 /nfs/dbraw/zinc/48/93/83/627489383.db2.gz KPTGJDQTCSSBRO-UHFFFAOYSA-N 2 0 287.451 2.884 20 30 CFEDRP C#C[C@H](C)[N@@H+](C)Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000775183987 627998736 /nfs/dbraw/zinc/99/87/36/627998736.db2.gz QXIQUQWNRZTEOB-KRWDZBQOSA-N 2 0 299.462 2.672 20 30 CFEDRP CC(C)CC[N@H+](CCC#N)CC1CC[NH+](C)CC1 ZINC000788480563 629073091 /nfs/dbraw/zinc/07/30/91/629073091.db2.gz ACMWITMOBVYNKM-UHFFFAOYSA-N 2 0 251.418 2.590 20 30 CFEDRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1C#N ZINC000796836675 629976640 /nfs/dbraw/zinc/97/66/40/629976640.db2.gz KKHCFTYJEUVPDQ-BBWFWOEESA-N 2 0 299.418 2.529 20 30 CFEDRP C=CC[C@@H](CC)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000798501733 630196380 /nfs/dbraw/zinc/19/63/80/630196380.db2.gz LWFRTYKNPVBODB-QGZVFWFLSA-N 2 0 287.451 2.883 20 30 CFEDRP C#CCN(C)CCC[NH2+][C@@H]1CCC[C@@H]1CCCC ZINC000815652419 632304614 /nfs/dbraw/zinc/30/46/14/632304614.db2.gz BQQSRSGEOMSRTD-JKSUJKDBSA-N 2 0 250.430 2.890 20 30 CFEDRP C#Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000816643273 632501193 /nfs/dbraw/zinc/50/11/93/632501193.db2.gz ZWEVMFUNKDFJLC-GOSISDBHSA-N 2 0 268.404 2.586 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc(OCC#N)cc1 ZINC000817960827 632759140 /nfs/dbraw/zinc/75/91/40/632759140.db2.gz SAQYUXWDIYVWLK-JLJPHGGASA-N 2 0 287.407 2.757 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000817966514 632765406 /nfs/dbraw/zinc/76/54/06/632765406.db2.gz PIVODNUTXBRWIS-QAPCUYQASA-N 2 0 286.419 2.739 20 30 CFEDRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(OCC#N)cc1 ZINC000817969353 632768450 /nfs/dbraw/zinc/76/84/50/632768450.db2.gz CASGEMCUTMUPOB-QEJZJMRPSA-N 2 0 273.380 2.509 20 30 CFEDRP CCCCCCCCNC(=[NH2+])NCC[NH+]1CCCC1 ZINC000849057714 633482568 /nfs/dbraw/zinc/48/25/68/633482568.db2.gz VZMKWAAYDSARHT-UHFFFAOYSA-N 2 0 268.449 2.557 20 30 CFEDRP C=CC[NH+](C)CC[Si](C)(C)CC[N@@H+](C)CC=C ZINC000859263022 636525990 /nfs/dbraw/zinc/52/59/90/636525990.db2.gz WLLHFGYQGNTZCA-UHFFFAOYSA-N 2 0 254.494 2.930 20 30 CFEDRP C[C@H]1CCC[C@](CNC(=[NH2+])Nc2ccccc2)([NH+](C)C)C1 ZINC000203057138 637378749 /nfs/dbraw/zinc/37/87/49/637378749.db2.gz AUMNVKCYMQLSHF-YOEHRIQHSA-N 2 0 288.439 2.924 20 30 CFEDRP C=C[C@@H]1CCCC[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873209902 642068968 /nfs/dbraw/zinc/06/89/68/642068968.db2.gz VPKHLIWXTOTFLC-CYBMUJFWSA-N 2 0 262.422 2.934 20 30 CFEDRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C#N)cc1 ZINC000873263353 642107221 /nfs/dbraw/zinc/10/72/21/642107221.db2.gz IRSWTGOHMCIYRK-QIJZBDPFSA-N 2 0 269.392 2.739 20 30 CFEDRP C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)C1CC[NH2+]CC1 ZINC000873270687 642112796 /nfs/dbraw/zinc/11/27/96/642112796.db2.gz ZZMPJQITHQKUJS-PXAZEXFGSA-N 2 0 269.392 2.523 20 30 CFEDRP C=CC(C)(C)CCC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000873281367 642116729 /nfs/dbraw/zinc/11/67/29/642116729.db2.gz ZYBLNWQWEODOAZ-HRCADAONSA-N 2 0 280.456 2.726 20 30 CFEDRP C#CCCCCCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000876761040 642998147 /nfs/dbraw/zinc/99/81/47/642998147.db2.gz XOTYHBHJMXKSMW-KRWDZBQOSA-N 2 0 262.441 2.988 20 30 CFEDRP C#CCCCCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878748954 644013447 /nfs/dbraw/zinc/01/34/47/644013447.db2.gz VMACGNPVJRCQIA-UHFFFAOYSA-N 2 0 271.408 2.787 20 30 CFEDRP C[C@H]1C[N@H+](CCC(C)(C)C#N)CCN1c1cc[nH+]cc1 ZINC000880260632 644617609 /nfs/dbraw/zinc/61/76/09/644617609.db2.gz QUUCAPSXURAWFG-AWEZNQCLSA-N 2 0 272.396 2.532 20 30 CFEDRP CN(C)C(=[NH+]CC1([NH+]2CCCCC2)CCCCC1)N(C)C ZINC000303707178 650999186 /nfs/dbraw/zinc/99/91/86/650999186.db2.gz MCIHKHOZNAHMHF-UHFFFAOYSA-N 2 0 294.487 2.654 20 30 CFEDRP CCCCCCNC(=[NH2+])NCC(C)(C)[NH+]1CCCCC1 ZINC000303772254 651001037 /nfs/dbraw/zinc/00/10/37/651001037.db2.gz DKHLNWWRSXHYMG-UHFFFAOYSA-N 2 0 282.476 2.736 20 30 CFEDRP CCCCNC(=[NH2+])NC[C@H](C(CC)CC)[NH+]1CCCC1 ZINC000303776188 651001794 /nfs/dbraw/zinc/00/17/94/651001794.db2.gz HPVVUFWBVLBNOP-OAHLLOKOSA-N 2 0 282.476 2.591 20 30 CFEDRP CCC(CC)[C@H](CNC(=[NH2+])NC1CCCCC1)[NH+](C)C ZINC000303783999 651002132 /nfs/dbraw/zinc/00/21/32/651002132.db2.gz OUSIXUASFBZSGD-HNNXBMFYSA-N 2 0 282.476 2.590 20 30 CFEDRP C[C@@H]1CCC[N@@H+](CCCCNC(=[NH2+])N2CCC[C@H](C)C2)C1 ZINC000303898542 651008215 /nfs/dbraw/zinc/00/82/15/651008215.db2.gz RARNLMZIWWQURN-CVEARBPZSA-N 2 0 294.487 2.545 20 30 CFEDRP CCCCCCNC(=[NH2+])NCC[N@H+](C)C1CCCCC1 ZINC000303903563 651008291 /nfs/dbraw/zinc/00/82/91/651008291.db2.gz UNKGXFPEWBXNHA-UHFFFAOYSA-N 2 0 282.476 2.736 20 30 CFEDRP CCC[NH+](CCC)CCCNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000303868770 651005181 /nfs/dbraw/zinc/00/51/81/651005181.db2.gz DNFCCSTUXRHEFK-HNNXBMFYSA-N 2 0 282.476 2.545 20 30 CFEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@@H](C)CCCC(C)C)C1 ZINC000303885536 651006275 /nfs/dbraw/zinc/00/62/75/651006275.db2.gz NHHRNQRKZQTJIM-JKSUJKDBSA-N 2 0 296.503 2.837 20 30 CFEDRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])NC2CCCCC2)C1 ZINC000303890007 651006512 /nfs/dbraw/zinc/00/65/12/651006512.db2.gz PUMXTXKHKNKUGT-CQSZACIVSA-N 2 0 294.487 2.734 20 30 CFEDRP C[C@@H]1CCCN(C(=[NH2+])NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000303891226 651006629 /nfs/dbraw/zinc/00/66/29/651006629.db2.gz QLTDWLZAANIARV-BFYDXBDKSA-N 2 0 294.487 2.544 20 30 CFEDRP CC(C)CCNC(=[NH2+])NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000303891361 651007170 /nfs/dbraw/zinc/00/71/70/651007170.db2.gz NCPJDZOLAGCBFB-HNNXBMFYSA-N 2 0 282.476 2.591 20 30 CFEDRP CCCCCCNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000303894993 651007555 /nfs/dbraw/zinc/00/75/55/651007555.db2.gz PHGWPIQGPHUWSH-HUUCEWRRSA-N 2 0 282.476 2.734 20 30 CFEDRP CC[N@H+](CCNC(=[NH2+])Nc1ccc(C)c(C)c1)C(C)C ZINC000303990091 651011021 /nfs/dbraw/zinc/01/10/21/651011021.db2.gz YEVBIOUPFJJYOL-UHFFFAOYSA-N 2 0 276.428 2.760 20 30 CFEDRP CCCCNC(=[NH2+])NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000304754317 651032251 /nfs/dbraw/zinc/03/22/51/651032251.db2.gz LULDPWLWWCHVFF-CQSZACIVSA-N 2 0 290.455 2.820 20 30 CFEDRP CCc1ccc(NC(=[NH2+])NC[C@@H]2CCCC[N@H+]2CC)cc1 ZINC000304759983 651033023 /nfs/dbraw/zinc/03/30/23/651033023.db2.gz RTRLRKOSTRRCMH-INIZCTEOSA-N 2 0 288.439 2.850 20 30 CFEDRP C=CCC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000883214558 645669001 /nfs/dbraw/zinc/66/90/01/645669001.db2.gz IDAUFQYOYGBPJN-CVEARBPZSA-N 2 0 280.456 2.822 20 30 CFEDRP C=CCC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@H]1CCCO1 ZINC000883219025 645672223 /nfs/dbraw/zinc/67/22/23/645672223.db2.gz LHTIGGXSBFJGQT-QZTJIDSGSA-N 2 0 292.467 2.964 20 30 CFEDRP C=C(C)C[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000883389888 645788612 /nfs/dbraw/zinc/78/86/12/645788612.db2.gz BBEZUWFBRKNKKY-JQHSSLGASA-N 2 0 294.483 2.946 20 30 CFEDRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])N2CCCCCC2)C1 ZINC000305094876 651048386 /nfs/dbraw/zinc/04/83/86/651048386.db2.gz ZAUVLDRTYYPMRI-OAHLLOKOSA-N 2 0 294.487 2.688 20 30 CFEDRP C[NH+](CCCC#N)[C@H]1CC[C@H]([N@H+](C)CCCC#N)CC1 ZINC000886387081 646994819 /nfs/dbraw/zinc/99/48/19/646994819.db2.gz RNNVOXGPGWRIQD-WKILWMFISA-N 2 0 276.428 2.769 20 30 CFEDRP CCc1ccc(NC(=[NH2+])NCC[N@@H+](CC)C(C)C)cc1 ZINC000104191572 647556163 /nfs/dbraw/zinc/55/61/63/647556163.db2.gz FQXGZRMODYVWIZ-UHFFFAOYSA-N 2 0 276.428 2.706 20 30 CFEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)C(C)C ZINC000925537127 648205301 /nfs/dbraw/zinc/20/53/01/648205301.db2.gz JFKBHNALJRAJNX-IXDOHACOSA-N 2 0 291.483 2.545 20 30 CFEDRP CC1(C)C[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C[C@@H]([NH3+])C1 ZINC000925624339 648245166 /nfs/dbraw/zinc/24/51/66/648245166.db2.gz ZQHKCPXXWXEHDP-CABCVRRESA-N 2 0 287.407 2.585 20 30 CFEDRP N#Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1Cl ZINC000925667583 648270804 /nfs/dbraw/zinc/27/08/04/648270804.db2.gz VRBOOZCEPDDUPK-KBPBESRZSA-N 2 0 275.783 2.571 20 30 CFEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925681868 648277964 /nfs/dbraw/zinc/27/79/64/648277964.db2.gz RCMZTUTVSBTYBJ-LLLHUVSDSA-N 2 0 275.440 2.827 20 30 CFEDRP C=CCCCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925779312 648320111 /nfs/dbraw/zinc/32/01/11/648320111.db2.gz WWQRRCDKGQVBNC-STQMWFEESA-N 2 0 260.372 2.956 20 30 CFEDRP C#C[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)[C@@H]1CCCO1 ZINC000926211455 648436377 /nfs/dbraw/zinc/43/63/77/648436377.db2.gz UKRZCTLBKMOYPP-WBAXXEDZSA-N 2 0 286.419 2.580 20 30 CFEDRP CSC1(C[NH2+][C@@H](C)CC(C)(C)C#N)CC[NH+](C)CC1 ZINC000926447412 648491113 /nfs/dbraw/zinc/49/11/13/648491113.db2.gz CBWAYCIGVNENRU-ZDUSSCGKSA-N 2 0 283.485 2.732 20 30 CFEDRP C#CC[N@@H+](C)CCCN[C@@H](C)c1cc(-c2ccccc2)no1 ZINC000926488936 648506893 /nfs/dbraw/zinc/50/68/93/648506893.db2.gz CORHYUXLADVZSI-HNNXBMFYSA-N 2 0 297.402 2.947 20 30 CFEDRP C[C@H](CC(C)(C)C#N)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000926574515 648539544 /nfs/dbraw/zinc/53/95/44/648539544.db2.gz VEOJSJAFZOGFQN-KGLIPLIRSA-N 2 0 251.418 2.636 20 30 CFEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926610371 648550635 /nfs/dbraw/zinc/55/06/35/648550635.db2.gz CTKGIANFUHEVMD-JLSDUUJJSA-N 2 0 288.435 2.990 20 30 CFEDRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC2CCC(C#N)CC2)C1 ZINC000929762328 649115478 /nfs/dbraw/zinc/11/54/78/649115478.db2.gz FBWKZNLVMWLPDU-VJFUWPCTSA-N 2 0 289.467 2.980 20 30 CFEDRP CCC[N@H+](C)C[C@H]1CC[NH+](CC2CCC(C#N)CC2)C1 ZINC000929779720 649120537 /nfs/dbraw/zinc/12/05/37/649120537.db2.gz NNKLEZCIWUELML-OFLPRAFFSA-N 2 0 277.456 2.980 20 30 CFEDRP C[C@H](CNC(=[NH2+])NC1CCCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000305747782 651074847 /nfs/dbraw/zinc/07/48/47/651074847.db2.gz TYSWVLBWCTXXIQ-HUUCEWRRSA-N 2 0 294.487 2.734 20 30 CFEDRP CC(C)[NH+](CCNC(=[NH2+])NC1CCCCCC1)C(C)C ZINC000305748257 651074873 /nfs/dbraw/zinc/07/48/73/651074873.db2.gz VCEKGJZCFRDVFO-UHFFFAOYSA-N 2 0 282.476 2.732 20 30 CFEDRP C[NH+](C)CC1(CNC(=[NH2+])NC2CCCCCC2)CCCC1 ZINC000305840554 651085384 /nfs/dbraw/zinc/08/53/84/651085384.db2.gz YXBKQQJLYVIAQE-UHFFFAOYSA-N 2 0 294.487 2.736 20 30 CFEDRP C#C[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167994773 777526578 /nfs/dbraw/zinc/52/65/78/777526578.db2.gz ODRJSSPPXYLXKH-QTXGHNMQSA-N 2 0 272.436 2.737 20 30 CFEDRP CCCCCCC[N@@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235007661 778352913 /nfs/dbraw/zinc/35/29/13/778352913.db2.gz PAVNFJGWAKKMSB-INIZCTEOSA-N 2 0 268.445 2.659 20 30 CFEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H](C3C[NH2+]C3)C2)CC1 ZINC001235337254 778459169 /nfs/dbraw/zinc/45/91/69/778459169.db2.gz HVIZCUZGQCKANM-HZPDHXFCSA-N 2 0 260.425 2.830 20 30 CFEDRP C#Cc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235422472 778486153 /nfs/dbraw/zinc/48/61/53/778486153.db2.gz DBTHBIUENOZRGV-RBUKOAKNSA-N 2 0 282.431 2.880 20 30 CFEDRP C[N@H+](CCC[NH3+])Cc1ccc(C#Cc2ccccc2)cc1 ZINC001235435813 778490310 /nfs/dbraw/zinc/49/03/10/778490310.db2.gz ZZMYBGCXKAUEPG-UHFFFAOYSA-N 2 0 278.399 2.867 20 30 CFEDRP C=CC[N@H+](Cc1ccccc1N1CC[NH2+]CC1)C(C)(C)C ZINC001236309527 778770575 /nfs/dbraw/zinc/77/05/75/778770575.db2.gz MKEAWKYEDBKJKM-UHFFFAOYSA-N 2 0 287.451 2.883 20 30 CFEDRP CCCCCCCCN(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001236924713 778981044 /nfs/dbraw/zinc/98/10/44/778981044.db2.gz SJKHDTQDBMCYNT-KRWDZBQOSA-N 2 0 283.504 2.963 20 30 CFEDRP CCc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)ccc1C#N ZINC001238761332 779383659 /nfs/dbraw/zinc/38/36/59/779383659.db2.gz UGNAGHYHLDVOCC-MSOLQXFVSA-N 2 0 283.419 2.504 20 30 CFEDRP CCc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)ccc1C#N ZINC001238774917 779390000 /nfs/dbraw/zinc/39/00/00/779390000.db2.gz NHLZXKQXLRTKNU-UHFFFAOYSA-N 2 0 285.435 2.894 20 30 CFEDRP C[C@@H]([NH3+])c1ccccc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240360821 780113566 /nfs/dbraw/zinc/11/35/66/780113566.db2.gz HXUJKRZOUKSGRW-GFCCVEGCSA-N 2 0 277.371 2.932 20 30 CFEDRP N#CC1(c2ccccc2C=C2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001240877209 780495057 /nfs/dbraw/zinc/49/50/57/780495057.db2.gz FTOKKQFRKJXNIE-UHFFFAOYSA-N 2 0 281.403 2.598 20 30 CFEDRP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000700820361 780726442 /nfs/dbraw/zinc/72/64/42/780726442.db2.gz XHQMENCLDZWPCA-UONOGXRCSA-N 2 0 251.418 2.636 20 30 CFEDRP C=CC[C@@H]1CC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000703626003 781039960 /nfs/dbraw/zinc/03/99/60/781039960.db2.gz YGTFQEIACVCCIW-GFCCVEGCSA-N 2 0 262.422 2.792 20 30 CFEDRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(C#N)cc1F ZINC000594510969 349436018 /nfs/dbraw/zinc/43/60/18/349436018.db2.gz QDJGSUQRFCNKOF-FPMFFAJLSA-N 2 0 275.371 2.688 20 30 CFEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000594584541 349451463 /nfs/dbraw/zinc/45/14/63/349451463.db2.gz UWNRTLDLVICFDZ-CHWSQXEVSA-N 2 0 263.772 2.571 20 30 CFEDRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594584663 349451477 /nfs/dbraw/zinc/45/14/77/349451477.db2.gz ADWYLSQEQZBGAO-CHWSQXEVSA-N 2 0 257.381 2.653 20 30 CFEDRP N#CC1(c2ccc(C[NH2+]CCC[NH+]3CCCC3)cc2)CC1 ZINC000594916599 349505181 /nfs/dbraw/zinc/50/51/81/349505181.db2.gz HGVGBVTYVZPFFW-UHFFFAOYSA-N 2 0 283.419 2.817 20 30 CFEDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC[N@@H+]1C ZINC000594923113 349509486 /nfs/dbraw/zinc/50/94/86/349509486.db2.gz SGPIPJWHQRYTQY-YOEHRIQHSA-N 2 0 283.419 2.814 20 30 CFEDRP C=CCCSCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000595059198 349570158 /nfs/dbraw/zinc/57/01/58/349570158.db2.gz MJJZXEYXBFEYFK-ZNMIVQPWSA-N 2 0 268.470 2.758 20 30 CFEDRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc(C#N)cc1 ZINC000595344126 349606489 /nfs/dbraw/zinc/60/64/89/349606489.db2.gz LXUDWSLUSHXXID-MSOLQXFVSA-N 2 0 283.419 2.659 20 30 CFEDRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCCC(C)(C)C#N)C2 ZINC000595506535 349645931 /nfs/dbraw/zinc/64/59/31/349645931.db2.gz FBRUCSFXQPTRRO-INIZCTEOSA-N 2 0 263.429 2.734 20 30 CFEDRP CC[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423348683 529617293 /nfs/dbraw/zinc/61/72/93/529617293.db2.gz UJKUKWSOERQCIK-IRXDYDNUSA-N 2 0 271.408 2.989 20 30 CFEDRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000596652032 349968320 /nfs/dbraw/zinc/96/83/20/349968320.db2.gz FJGPAXSKDKWUAY-IAGOWNOFSA-N 2 0 271.408 2.899 20 30 CFEDRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000596653297 349969164 /nfs/dbraw/zinc/96/91/64/349969164.db2.gz ZUKCVZAOWUQXSL-ZDUSSCGKSA-N 2 0 294.402 2.614 20 30 CFEDRP C=CCCC[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000091559205 347592718 /nfs/dbraw/zinc/59/27/18/347592718.db2.gz KOBJOYIIVCTJAB-MSOLQXFVSA-N 2 0 293.499 2.833 20 30 CFEDRP C[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)[C@H]1CC[NH3+] ZINC000404303786 348590496 /nfs/dbraw/zinc/59/04/96/348590496.db2.gz CGHFPNPFUFQMRP-BBRMVZONSA-N 2 0 257.381 2.508 20 30 CFEDRP N#CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000584760920 348712790 /nfs/dbraw/zinc/71/27/90/348712790.db2.gz QJJLBPIGEQBDAJ-BBRMVZONSA-N 2 0 261.413 2.533 20 30 CFEDRP CCCN(CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000589350947 348829516 /nfs/dbraw/zinc/82/95/16/348829516.db2.gz CGWOBEFAIGSEBW-RBSFLKMASA-N 2 0 251.418 2.779 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000591577293 349030806 /nfs/dbraw/zinc/03/08/06/349030806.db2.gz MOOFCBDGFNTQBS-GUYCJALGSA-N 2 0 269.392 2.525 20 30 CFEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC000591582678 349032481 /nfs/dbraw/zinc/03/24/81/349032481.db2.gz SWBJPAYPITWVKL-WBVHZDCISA-N 2 0 281.403 2.810 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc(C#N)c1 ZINC000591582311 349032502 /nfs/dbraw/zinc/03/25/02/349032502.db2.gz FZFPRMNHPGHLKY-XJKSGUPXSA-N 2 0 269.392 2.884 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000591582511 349032529 /nfs/dbraw/zinc/03/25/29/349032529.db2.gz VPJDOKLJRMVQAZ-LXZKKBNFSA-N 2 0 269.392 2.653 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000591580482 349032566 /nfs/dbraw/zinc/03/25/66/349032566.db2.gz JWAAPTJTABKXOQ-FAJBIJEISA-N 2 0 295.430 2.913 20 30 CFEDRP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(C#N)cc1 ZINC000591582587 349032995 /nfs/dbraw/zinc/03/29/95/349032995.db2.gz MUURPMRWTFMCQF-CJNGLKHVSA-N 2 0 269.392 2.884 20 30 CFEDRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000414185018 233190317 /nfs/dbraw/zinc/19/03/17/233190317.db2.gz OFXHXNAXDSYZSY-LSDHHAIUSA-N 2 0 271.408 2.941 20 30 CFEDRP N#Cc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000598679296 350309426 /nfs/dbraw/zinc/30/94/26/350309426.db2.gz FJCCCHCNKZPIPY-AEFFLSMTSA-N 2 0 283.419 2.770 20 30 CFEDRP Cc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1C#N ZINC000599265725 350402648 /nfs/dbraw/zinc/40/26/48/350402648.db2.gz UQWHEPBYFBEZFF-UHFFFAOYSA-N 2 0 271.408 2.640 20 30 CFEDRP Cc1ccc(CN(C)C[C@@H]2CCC[N@H+](C)C2)cc1C#N ZINC000599299444 350409319 /nfs/dbraw/zinc/40/93/19/350409319.db2.gz JQDJNJGQHVVOCR-MRXNPFEDSA-N 2 0 271.408 2.640 20 30 CFEDRP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1C#N ZINC000600709938 350599188 /nfs/dbraw/zinc/59/91/88/350599188.db2.gz LETULBVSFOKWGW-WMZOPIPTSA-N 2 0 283.419 2.831 20 30 CFEDRP CC1(C#N)CCC([NH2+]Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000602019522 350833388 /nfs/dbraw/zinc/83/33/88/350833388.db2.gz FXIZZBYRLMJCAA-UHFFFAOYSA-N 2 0 283.419 2.894 20 30 CFEDRP C[N@H+](CCCC[NH2+]Cc1cccc(F)c1C#N)C1CC1 ZINC000602020234 350833782 /nfs/dbraw/zinc/83/37/82/350833782.db2.gz MSVDLCKTPNTPMG-UHFFFAOYSA-N 2 0 275.371 2.661 20 30 CFEDRP C[C@H](CCC#N)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000602481859 350901261 /nfs/dbraw/zinc/90/12/61/350901261.db2.gz BHZCFLXJFFGLHA-HLLBOEOZSA-N 2 0 275.440 2.875 20 30 CFEDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](C)CCC#N)[C@H](C)C1 ZINC000602473353 350896373 /nfs/dbraw/zinc/89/63/73/350896373.db2.gz GBKCQXJJOXUFCA-KFWWJZLASA-N 2 0 251.418 2.588 20 30 CFEDRP C[C@H](CCC#N)C[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC000602722200 351000628 /nfs/dbraw/zinc/00/06/28/351000628.db2.gz YRFZRHSLJJSIAY-ZBFHGGJFSA-N 2 0 263.429 2.923 20 30 CFEDRP C[N@H+](CCCC[NH+]1CCCCC1)CC1(CC#N)CC1 ZINC000603114556 351106058 /nfs/dbraw/zinc/10/60/58/351106058.db2.gz BHWCECUGCIEELS-UHFFFAOYSA-N 2 0 263.429 2.878 20 30 CFEDRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000610992465 351630125 /nfs/dbraw/zinc/63/01/25/351630125.db2.gz HVDODBUJAKVZRN-UHFFFAOYSA-N 2 0 286.423 2.505 20 30 CFEDRP CC#CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000155869875 188232816 /nfs/dbraw/zinc/23/28/16/188232816.db2.gz XMBWERXUUQRZSS-SFHVURJKSA-N 2 0 270.420 2.854 20 30 CFEDRP C=CCOc1ccc(CN(CC)CC[NH3+])cc1Cl ZINC000629655583 354879425 /nfs/dbraw/zinc/87/94/25/354879425.db2.gz VQRUFQLCZFGLNL-UHFFFAOYSA-N 2 0 268.788 2.685 20 30 CFEDRP C=CC[C@H]1CC[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000629550111 354844937 /nfs/dbraw/zinc/84/49/37/354844937.db2.gz MIBRLHIXRORIAV-GOEBONIOSA-N 2 0 274.408 2.636 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000353411522 283199367 /nfs/dbraw/zinc/19/93/67/283199367.db2.gz KJRCSCXGAYWLOD-XYJFISCASA-N 2 0 281.403 2.762 20 30 CFEDRP C=CCOc1cccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414908274 540830481 /nfs/dbraw/zinc/83/04/81/540830481.db2.gz BEXWPPKUZNDGTK-GJZGRUSLSA-N 2 0 260.381 2.611 20 30 CFEDRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cccc(C#N)c1 ZINC000423264147 238319178 /nfs/dbraw/zinc/31/91/78/238319178.db2.gz YFUYBXKXMUURMP-KGLIPLIRSA-N 2 0 257.381 2.599 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(C#N)cc1F ZINC000423278730 238338655 /nfs/dbraw/zinc/33/86/55/238338655.db2.gz QMQLUNUYADFRGI-NORZTCDRSA-N 2 0 275.371 2.865 20 30 CFEDRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000423323537 238375447 /nfs/dbraw/zinc/37/54/47/238375447.db2.gz IBGURYXDHIYNJN-LBPRGKRZSA-N 2 0 275.371 2.738 20 30 CFEDRP C=CCCC[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667656428 541280846 /nfs/dbraw/zinc/28/08/46/541280846.db2.gz GPAPFLQJIOTZBH-UHFFFAOYSA-N 2 0 256.353 2.665 20 30 CFEDRP Cc1cc(C[NH2+]CCC2CC[NH+](C)CC2)ccc1C#N ZINC000443982923 241099972 /nfs/dbraw/zinc/09/99/72/241099972.db2.gz VQBXFALWOXNWGJ-UHFFFAOYSA-N 2 0 271.408 2.688 20 30 CFEDRP C=CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000037644236 372681579 /nfs/dbraw/zinc/68/15/79/372681579.db2.gz MSTMGXDGDVIXCH-INIZCTEOSA-N 2 0 274.408 2.683 20 30 CFEDRP CC[NH+](CC)Cc1cccc(CNC(=[NH2+])NCC(C)C)c1 ZINC000264063378 383693084 /nfs/dbraw/zinc/69/30/84/383693084.db2.gz ACAJMGFDFOCMCM-UHFFFAOYSA-N 2 0 290.455 2.589 20 30 CFEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000264071962 383693598 /nfs/dbraw/zinc/69/35/98/383693598.db2.gz DONMYWCYOOGTPG-AWEZNQCLSA-N 2 0 286.423 2.514 20 30 CFEDRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000062078855 373746917 /nfs/dbraw/zinc/74/69/17/373746917.db2.gz VPVJSOIRCZUWAA-LSDHHAIUSA-N 2 0 271.408 2.941 20 30 CFEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2cc(C)cc(C)c2)C1 ZINC000264086398 383694786 /nfs/dbraw/zinc/69/47/86/383694786.db2.gz JOZIJMXUUOJGJH-HNNXBMFYSA-N 2 0 288.439 2.762 20 30 CFEDRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C#N)c2)[C@H](C)C1 ZINC000081096873 374684884 /nfs/dbraw/zinc/68/48/84/374684884.db2.gz FVWXRFDWSPQLTC-RHSMWYFYSA-N 2 0 271.408 2.720 20 30 CFEDRP C=C1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000678243281 541983320 /nfs/dbraw/zinc/98/33/20/541983320.db2.gz XRYNHXNVHMZDFH-UHFFFAOYSA-N 2 0 274.408 2.779 20 30 CFEDRP C[NH+](C)CC1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000087608590 374825724 /nfs/dbraw/zinc/82/57/24/374825724.db2.gz BYVXKRHRAVXNKJ-UHFFFAOYSA-N 2 0 251.418 2.590 20 30 CFEDRP CC[N@H+](C)C[C@H]1CC[NH+](CC(C)(C)CCC#N)C1 ZINC000093770784 375310949 /nfs/dbraw/zinc/31/09/49/375310949.db2.gz ABALDNCICSUEGN-CQSZACIVSA-N 2 0 251.418 2.590 20 30 CFEDRP Cc1cc(C)cc(NC(=[NH2+])NCC[NH+]2CCCCC2)c1 ZINC000104158202 375770593 /nfs/dbraw/zinc/77/05/93/375770593.db2.gz CKXXTMGNSBUUOU-UHFFFAOYSA-N 2 0 274.412 2.516 20 30 CFEDRP CC[N@H+](CCNC(=[NH2+])Nc1ccc(C)c(C)c1)C1CC1 ZINC000104191620 375773836 /nfs/dbraw/zinc/77/38/36/375773836.db2.gz MZWBZXFTISHQNT-UHFFFAOYSA-N 2 0 274.412 2.514 20 30 CFEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000135121840 378086518 /nfs/dbraw/zinc/08/65/18/378086518.db2.gz ONKSZLHCAIHRED-CYBMUJFWSA-N 2 0 263.385 2.751 20 30 CFEDRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(C#N)cc1)CC[NH2+]CC2 ZINC000335279532 379017368 /nfs/dbraw/zinc/01/73/68/379017368.db2.gz QNBVLRJZGPDWTB-CQSZACIVSA-N 2 0 269.392 2.522 20 30 CFEDRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000169781448 379110676 /nfs/dbraw/zinc/11/06/76/379110676.db2.gz HQGLCIOICFCJII-SFHVURJKSA-N 2 0 283.419 2.722 20 30 CFEDRP C#CCCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180168791 380628244 /nfs/dbraw/zinc/62/82/44/380628244.db2.gz OPMMPLKHYJDATM-GBESFXJTSA-N 2 0 282.431 2.900 20 30 CFEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000404596558 380904892 /nfs/dbraw/zinc/90/48/92/380904892.db2.gz YCFWZXGDVGRBMX-USXIJHARSA-N 2 0 287.382 2.708 20 30 CFEDRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181875358 380923261 /nfs/dbraw/zinc/92/32/61/380923261.db2.gz VMSDCMWPRMITLH-PBHICJAKSA-N 2 0 289.423 2.566 20 30 CFEDRP C[C@H](CCC#N)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000411419537 381026422 /nfs/dbraw/zinc/02/64/22/381026422.db2.gz GWLZSUFSSJSFQJ-CQSZACIVSA-N 2 0 251.418 2.732 20 30 CFEDRP C[C@H](CCC#N)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000411499977 381029801 /nfs/dbraw/zinc/02/98/01/381029801.db2.gz RVELZLCYTLBZCQ-MRXNPFEDSA-N 2 0 293.455 2.503 20 30 CFEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000354082224 381066879 /nfs/dbraw/zinc/06/68/79/381066879.db2.gz JNRQKAWMHWFQMC-INIZCTEOSA-N 2 0 295.471 2.749 20 30 CFEDRP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC000369705402 381316729 /nfs/dbraw/zinc/31/67/29/381316729.db2.gz XOTFOHVZEGIQMC-UHFFFAOYSA-N 2 0 289.448 2.928 20 30 CFEDRP C=CC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000184743430 381470892 /nfs/dbraw/zinc/47/08/92/381470892.db2.gz SQMRIHQNROGIMH-HUUCEWRRSA-N 2 0 258.409 2.919 20 30 CFEDRP C[C@@H]([NH2+]CCCSCC#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185668207 381697595 /nfs/dbraw/zinc/69/75/95/381697595.db2.gz DXVLVPPIGGZSLT-HUUCEWRRSA-N 2 0 295.496 2.876 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000293238276 382042042 /nfs/dbraw/zinc/04/20/42/382042042.db2.gz BCSDUDHXSOGLGO-GJZGRUSLSA-N 2 0 274.408 2.547 20 30 CFEDRP C=C(C)CC[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000351819501 382063483 /nfs/dbraw/zinc/06/34/83/382063483.db2.gz ASMZUBQHUOMQNP-HZPDHXFCSA-N 2 0 268.445 2.679 20 30 CFEDRP C=C(C)CC[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000351836960 382064921 /nfs/dbraw/zinc/06/49/21/382064921.db2.gz STZLFJREQJVWLM-SFHVURJKSA-N 2 0 288.435 2.521 20 30 CFEDRP C[N@@H+]1CCC[C@H](C[NH2+]CCCC#N)[C@H]1c1ccccc1 ZINC000375450314 382086646 /nfs/dbraw/zinc/08/66/46/382086646.db2.gz XDWIHASVKSBUJC-IAGOWNOFSA-N 2 0 271.408 2.963 20 30 CFEDRP C#CCOc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000375504308 382089652 /nfs/dbraw/zinc/08/96/52/382089652.db2.gz CNHYDSPACUEKOA-UHFFFAOYSA-N 2 0 298.430 2.759 20 30 CFEDRP CCC[NH+]1CCC(C[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000344216021 382204098 /nfs/dbraw/zinc/20/40/98/382204098.db2.gz LNIYDPYESORAPY-UHFFFAOYSA-N 2 0 289.398 2.909 20 30 CFEDRP CC1CCN(C(=[NH2+])NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000303358402 382356825 /nfs/dbraw/zinc/35/68/25/382356825.db2.gz AJVHLBUXRGQAPR-WBVHZDCISA-N 2 0 294.487 2.544 20 30 CFEDRP C=CC[C@H](C)[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000358043067 382424715 /nfs/dbraw/zinc/42/47/15/382424715.db2.gz GVBOFVMFCRDREN-JYJNAYRXSA-N 2 0 268.445 2.678 20 30 CFEDRP C#CC[C@H](C)[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000366521271 382525114 /nfs/dbraw/zinc/52/51/14/382525114.db2.gz PMFCPKNXGHSOFF-RDJZCZTQSA-N 2 0 298.430 2.976 20 30 CFEDRP C#CC[C@H](C)[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000366521269 382525790 /nfs/dbraw/zinc/52/57/90/382525790.db2.gz PMFCPKNXGHSOFF-DOTOQJQBSA-N 2 0 298.430 2.976 20 30 CFEDRP C=CCC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000320646659 382538762 /nfs/dbraw/zinc/53/87/62/382538762.db2.gz OCIMNWXFBQOGFJ-KBAYOESNSA-N 2 0 288.435 2.566 20 30 CFEDRP C=CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000358292069 382551207 /nfs/dbraw/zinc/55/12/07/382551207.db2.gz GXHMSLDGVIJRBV-OKZBNKHCSA-N 2 0 292.467 2.699 20 30 CFEDRP C=C[C@H](C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000358303470 382558132 /nfs/dbraw/zinc/55/81/32/382558132.db2.gz RBDZNFPNZZVITA-KBPBESRZSA-N 2 0 262.397 2.852 20 30 CFEDRP C=CC[N@H+](CCc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000346834884 382536020 /nfs/dbraw/zinc/53/60/20/382536020.db2.gz NIKUDEKXWXZNDY-QGZVFWFLSA-N 2 0 258.409 2.717 20 30 CFEDRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cc(C#N)cs1 ZINC000387365499 382598217 /nfs/dbraw/zinc/59/82/17/382598217.db2.gz VNQRDFCYJRTMIH-UHFFFAOYSA-N 2 0 265.426 2.830 20 30 CFEDRP CC(C)(C[NH2+][C@H]1CCC[C@H](C#N)C1)C[NH+]1CCCC1 ZINC000446782965 382992239 /nfs/dbraw/zinc/99/22/39/382992239.db2.gz HJACMNKKCRVMSX-GJZGRUSLSA-N 2 0 263.429 2.780 20 30 CFEDRP N#Cc1ccccc1CSCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422988435 382998773 /nfs/dbraw/zinc/99/87/73/382998773.db2.gz KLJPUEDCRBADQP-HOCLYGCPSA-N 2 0 289.448 2.508 20 30 CFEDRP CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000423367122 383066162 /nfs/dbraw/zinc/06/61/62/383066162.db2.gz QUFKGEKQJUICHP-HZPDHXFCSA-N 2 0 257.381 2.741 20 30 CFEDRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(C#N)c1 ZINC000423421922 383090650 /nfs/dbraw/zinc/09/06/50/383090650.db2.gz BFPMSAJFEWJJGB-OAUYIBNBSA-N 2 0 269.392 2.597 20 30 CFEDRP CC[NH2+]CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000583558660 383090762 /nfs/dbraw/zinc/09/07/62/383090762.db2.gz HBCMBNVRULSOJU-UHFFFAOYSA-N 2 0 285.435 2.980 20 30 CFEDRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000423421259 383090882 /nfs/dbraw/zinc/09/08/82/383090882.db2.gz AVSZHZNBUQBHAH-OAUYIBNBSA-N 2 0 269.392 2.597 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000423468116 383107036 /nfs/dbraw/zinc/10/70/36/383107036.db2.gz JIGRLMDRYCYOQE-UKPHBRMFSA-N 2 0 269.392 2.653 20 30 CFEDRP CC(C)[N@H+](C)CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449072856 383162240 /nfs/dbraw/zinc/16/22/40/383162240.db2.gz LVNVXPDYMMUNRY-UHFFFAOYSA-N 2 0 251.418 2.779 20 30 CFEDRP C=CCCCC[C@@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000449079549 383165673 /nfs/dbraw/zinc/16/56/73/383165673.db2.gz ZFACRMYNLHTSSC-QZTJIDSGSA-N 2 0 295.515 2.983 20 30 CFEDRP C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000449520379 383353453 /nfs/dbraw/zinc/35/34/53/383353453.db2.gz PEEMZMMIMIKOQQ-OWLYRPNTSA-N 2 0 292.467 2.963 20 30 CFEDRP C=CCC[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)C1CC1 ZINC000635008273 383464506 /nfs/dbraw/zinc/46/45/06/383464506.db2.gz IOUGEBHICONZBM-MRXNPFEDSA-N 2 0 286.423 2.648 20 30 CFEDRP C[C@H](c1cccc(C#N)c1)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000573880848 384005890 /nfs/dbraw/zinc/00/58/90/384005890.db2.gz VOXFOKCCYHKTKT-XOKHGSTOSA-N 2 0 269.392 2.788 20 30 CFEDRP C[NH+](C)[C@@H]1CCCN(Cc2cc(C#N)ccc2F)CC1 ZINC000277331684 384269101 /nfs/dbraw/zinc/26/91/01/384269101.db2.gz VOSXSMLAYHUBRS-OAHLLOKOSA-N 2 0 275.371 2.613 20 30 CFEDRP CC(C)C[C@@H](CNC(=[NH2+])N(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000267473334 384399406 /nfs/dbraw/zinc/39/94/06/384399406.db2.gz YPGLJLQAOCJAAG-ZBFHGGJFSA-N 2 0 290.455 2.628 20 30 CFEDRP C#Cc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000289066491 197226202 /nfs/dbraw/zinc/22/62/02/197226202.db2.gz ACSOUYDDTKPIOX-DLBZAZTESA-N 2 0 256.393 2.630 20 30 CFEDRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000423323536 533355443 /nfs/dbraw/zinc/35/54/43/533355443.db2.gz IBGURYXDHIYNJN-GFCCVEGCSA-N 2 0 275.371 2.738 20 30 CFEDRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000249378537 131121674 /nfs/dbraw/zinc/12/16/74/131121674.db2.gz OFHZBDCQSSEMFO-HIFRSBDPSA-N 2 0 257.381 2.551 20 30 CFEDRP Cc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)ccc1C#N ZINC000421368059 394204266 /nfs/dbraw/zinc/20/42/66/394204266.db2.gz FWZUTOJFCGKHKP-UHFFFAOYSA-N 2 0 271.408 2.829 20 30 CFEDRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000423543733 394294991 /nfs/dbraw/zinc/29/49/91/394294991.db2.gz VSLONRJAVZKMBB-GFCCVEGCSA-N 2 0 273.355 2.658 20 30 CFEDRP C=CC[C@@H]1[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CCCC1(C)C ZINC000660423580 413306414 /nfs/dbraw/zinc/30/64/14/413306414.db2.gz SJYZVIJCWWYHFA-HOTGVXAUSA-N 2 0 282.472 2.754 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@H]2CCC[C@@H]21 ZINC000375792131 157286208 /nfs/dbraw/zinc/28/62/08/157286208.db2.gz PSOSDUNDIVBJMO-IKGGRYGDSA-N 2 0 269.392 2.521 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@@H]2CCC[C@@H]21 ZINC000375792135 157287098 /nfs/dbraw/zinc/28/70/98/157287098.db2.gz PSOSDUNDIVBJMO-ULQDDVLXSA-N 2 0 269.392 2.521 20 30 CFEDRP C[C@@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)C[NH+]1CCCC1 ZINC000353414621 163361537 /nfs/dbraw/zinc/36/15/37/163361537.db2.gz UAPLLXPIMUJSAV-KBXCAEBGSA-N 2 0 283.419 2.867 20 30 CFEDRP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000651719172 413588854 /nfs/dbraw/zinc/58/88/54/413588854.db2.gz KZBAURCKDJMORM-RYRKJORJSA-N 2 0 292.467 2.822 20 30 CFEDRP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCCOC)CC2)C1 ZINC000651695685 413573256 /nfs/dbraw/zinc/57/32/56/413573256.db2.gz ULCBLISACXPUKI-WBVHZDCISA-N 2 0 280.456 2.822 20 30 CFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000657835726 413988193 /nfs/dbraw/zinc/98/81/93/413988193.db2.gz YGSDNZHTDWPYDE-SJORKVTESA-N 2 0 293.499 2.737 20 30 CFEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000657837041 413989927 /nfs/dbraw/zinc/98/99/27/413989927.db2.gz XNZNRAYKQUVDNL-QZTJIDSGSA-N 2 0 293.499 2.739 20 30 CFEDRP C=CCC[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070079 414152364 /nfs/dbraw/zinc/15/23/64/414152364.db2.gz KSXHNUHLBKQJQM-OAHLLOKOSA-N 2 0 280.456 2.822 20 30 CFEDRP C=CCCC[C@@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325345 414507096 /nfs/dbraw/zinc/50/70/96/414507096.db2.gz MBUSQOMJZGBYKU-HZPDHXFCSA-N 2 0 268.445 2.774 20 30 CFEDRP N#CC1(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000347418307 226152330 /nfs/dbraw/zinc/15/23/30/226152330.db2.gz ACFVBGRZQACYDO-UHFFFAOYSA-N 2 0 275.440 2.878 20 30 CFEDRP Cc1ccc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCCC2)cc1C ZINC000104174461 260620870 /nfs/dbraw/zinc/62/08/70/260620870.db2.gz ILPJGFDOMYLECS-CYBMUJFWSA-N 2 0 288.439 2.762 20 30 CFEDRP C[NH+](C)CC1CCC([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000361420039 261254658 /nfs/dbraw/zinc/25/46/58/261254658.db2.gz KGLFSPBSMDBSOE-KNIAUWFNSA-N 2 0 263.429 2.779 20 30 CFEDRP C[C@H](CCC#N)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000411430087 262693227 /nfs/dbraw/zinc/69/32/27/262693227.db2.gz SBVLFCZVTCTOHO-OAHLLOKOSA-N 2 0 286.423 2.922 20 30 CFEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000414813757 263053276 /nfs/dbraw/zinc/05/32/76/263053276.db2.gz YQWZBARMFVBRBP-NVXWUHKLSA-N 2 0 274.408 2.859 20 30 CFEDRP C=CCOc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1Cl ZINC000414834882 263056726 /nfs/dbraw/zinc/05/67/26/263056726.db2.gz RBPOUGVALWNCGS-ZDUSSCGKSA-N 2 0 294.826 2.994 20 30 CFEDRP C=CCOc1ccc(C[NH2+]CCCC[NH3+])cc1Cl ZINC000414914499 263119741 /nfs/dbraw/zinc/11/97/41/263119741.db2.gz XKXIUSDGPFHACY-UHFFFAOYSA-N 2 0 268.788 2.733 20 30 CFEDRP C=CCOc1ccccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415102525 263273887 /nfs/dbraw/zinc/27/38/87/263273887.db2.gz CKGMRAAHJITPGC-HOCLYGCPSA-N 2 0 274.408 2.668 20 30 CFEDRP C=CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000415138262 263276402 /nfs/dbraw/zinc/27/64/02/263276402.db2.gz YSCSYVUJQFPQNR-GDBMZVCRSA-N 2 0 274.408 2.668 20 30 CFEDRP C=CCSCC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000231933681 264800089 /nfs/dbraw/zinc/80/00/89/264800089.db2.gz YHEMWEBBFTWRAZ-ZIAGYGMSSA-N 2 0 256.459 2.806 20 30 CFEDRP Cc1cc(N[C@H](C)C[N@H+](C)Cc2ccccc2)c(C#N)cn1 ZINC000399754124 267301938 /nfs/dbraw/zinc/30/19/38/267301938.db2.gz VWDIEDNGQDHZBO-OAHLLOKOSA-N 2 0 294.402 2.616 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)[C@H]1CCC[NH2+]C1 ZINC000423218660 274522642 /nfs/dbraw/zinc/52/26/42/274522642.db2.gz SFAWSBSJZNQTSO-YLQAJVPDSA-N 2 0 269.392 2.523 20 30 CFEDRP C[NH2+]CCC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423198647 277022880 /nfs/dbraw/zinc/02/28/80/277022880.db2.gz GZGXDGBJJMZQEC-MRXNPFEDSA-N 2 0 257.381 2.525 20 30 CFEDRP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423210413 288060554 /nfs/dbraw/zinc/06/05/54/288060554.db2.gz GETNAJYWDIPAAR-JQFCIGGWSA-N 2 0 271.408 2.987 20 30 CFEDRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000349690458 279109337 /nfs/dbraw/zinc/10/93/37/279109337.db2.gz GJTBGAPDDBKIGX-OAHLLOKOSA-N 2 0 289.423 2.567 20 30 CFEDRP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423203321 280189380 /nfs/dbraw/zinc/18/93/80/280189380.db2.gz CFDGLCNRNHXNRU-GDBMZVCRSA-N 2 0 257.381 2.599 20 30 CFEDRP CC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(C#N)cc1 ZINC000562592731 290058392 /nfs/dbraw/zinc/05/83/92/290058392.db2.gz VEDVIWSWDLUWHD-BBRMVZONSA-N 2 0 259.397 2.939 20 30 CFEDRP C=CCOc1ccccc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414854625 328241160 /nfs/dbraw/zinc/24/11/60/328241160.db2.gz UMQBUCBUOBSYFK-HNNXBMFYSA-N 2 0 274.408 2.731 20 30 CFEDRP C=CCC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)C1CC1 ZINC000120068222 329917894 /nfs/dbraw/zinc/91/78/94/329917894.db2.gz OBZNMDSMKNOWIQ-QZTJIDSGSA-N 2 0 293.499 2.593 20 30 CFEDRP C=CC[C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422983938 330162690 /nfs/dbraw/zinc/16/26/90/330162690.db2.gz VXXWLTUHSBMVJL-QRTARXTBSA-N 2 0 272.392 2.797 20 30 CFEDRP C=CCCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423087781 330169004 /nfs/dbraw/zinc/16/90/04/330169004.db2.gz QJIBPRFJJJGYDB-DOTOQJQBSA-N 2 0 272.392 2.798 20 30 CFEDRP C=CCCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423087782 330169165 /nfs/dbraw/zinc/16/91/65/330169165.db2.gz QJIBPRFJJJGYDB-NVXWUHKLSA-N 2 0 272.392 2.798 20 30 CFEDRP N#CCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000423093844 330169339 /nfs/dbraw/zinc/16/93/39/330169339.db2.gz IPMWSDPVIRGDPY-SOUVJXGZSA-N 2 0 261.413 2.581 20 30 CFEDRP N#CCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000423093842 330169494 /nfs/dbraw/zinc/16/94/94/330169494.db2.gz IPMWSDPVIRGDPY-RBSFLKMASA-N 2 0 261.413 2.581 20 30 CFEDRP C=CCOc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000423101756 330170163 /nfs/dbraw/zinc/17/01/63/330170163.db2.gz JEYNTFRHRRDUGM-UHFFFAOYSA-N 2 0 274.408 2.859 20 30 CFEDRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)CCC#N ZINC000423119121 330171033 /nfs/dbraw/zinc/17/10/33/330171033.db2.gz DHMFHGKFQMHCMR-GOEBONIOSA-N 2 0 273.424 2.864 20 30 CFEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423155244 330173444 /nfs/dbraw/zinc/17/34/44/330173444.db2.gz QIVRMJVYATYLBB-FPCVCCKLSA-N 2 0 266.429 2.620 20 30 CFEDRP CC(C)(CC#N)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423171629 330174602 /nfs/dbraw/zinc/17/46/02/330174602.db2.gz PGWPXQKDRSNFQX-QAPCUYQASA-N 2 0 299.418 2.772 20 30 CFEDRP C=CCC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)C1CC1 ZINC000120876351 330391841 /nfs/dbraw/zinc/39/18/41/330391841.db2.gz PYKMKLTWQUCUMP-QGZVFWFLSA-N 2 0 280.456 2.822 20 30 CFEDRP C=CCCCC[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000449250730 330909915 /nfs/dbraw/zinc/90/99/15/330909915.db2.gz PIOQQHORWZBCDB-SJORKVTESA-N 2 0 281.488 2.737 20 30 CFEDRP C=CC[N@@H+](CCc1cncn1C)Cc1cccs1 ZINC000459285872 331274587 /nfs/dbraw/zinc/27/45/87/331274587.db2.gz CECWCLLEHWKMSJ-UHFFFAOYSA-N 2 0 261.394 2.712 20 30 CFEDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000521042430 333110484 /nfs/dbraw/zinc/11/04/84/333110484.db2.gz GYFNMBNABCTOGG-JKIFEVAISA-N 2 0 271.408 2.571 20 30 CFEDRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCC(C)(C)C#N)C1 ZINC000081516600 334193683 /nfs/dbraw/zinc/19/36/83/334193683.db2.gz XEXBDUPNHWAIJS-HNNXBMFYSA-N 2 0 265.445 2.980 20 30 CFEDRP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccc(C#N)cc2)cc1 ZINC000071122901 521905541 /nfs/dbraw/zinc/90/55/41/521905541.db2.gz SMDIPIBZLITOIB-UHFFFAOYSA-N 2 0 279.387 2.910 20 30 CFEDRP C[NH+](C)CC1(C[NH2+]Cc2ccc(C#N)cc2)CCCC1 ZINC000185291239 524047859 /nfs/dbraw/zinc/04/78/59/524047859.db2.gz XXSVSNLBIGGUKG-UHFFFAOYSA-N 2 0 271.408 2.770 20 30 CFEDRP C#CCCOc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000113311091 526743514 /nfs/dbraw/zinc/74/35/14/526743514.db2.gz JZGIEUOMBFOCCI-UHFFFAOYSA-N 2 0 288.435 2.766 20 30 CFEDRP C=CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000347051771 526868441 /nfs/dbraw/zinc/86/84/41/526868441.db2.gz RDUIMIXXTOWWCS-GOEBONIOSA-N 2 0 274.408 2.811 20 30 CFEDRP C=CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccncc1 ZINC000754796203 574120868 /nfs/dbraw/zinc/12/08/68/574120868.db2.gz SVCKKLYDDYRYFV-ZACQAIPSSA-N 2 0 271.408 2.915 20 30 CFEDRP C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000742375988 574326270 /nfs/dbraw/zinc/32/62/70/574326270.db2.gz ZIGKUKZSFXMBMI-LZWOXQAQSA-N 2 0 287.407 2.550 20 30 CFEDRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(OCC#N)cc1 ZINC000051694028 618049330 /nfs/dbraw/zinc/04/93/30/618049330.db2.gz HUEGJVNKDGUVEC-GRTSSRMGSA-N 2 0 273.380 2.509 20 30 CFEDRP CSc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1C#N ZINC000925771615 619085479 /nfs/dbraw/zinc/08/54/79/619085479.db2.gz CNSBNSFVVNFTQK-IUODEOHRSA-N 2 0 289.448 2.758 20 30 CFEDRP CC[NH+](CC)CCCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000303696147 619980987 /nfs/dbraw/zinc/98/09/87/619980987.db2.gz DZALYMFINZEEAE-UHFFFAOYSA-N 2 0 276.428 2.762 20 30 CFEDRP CC1(C)C[NH2+]C[C@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000902450145 621091533 /nfs/dbraw/zinc/09/15/33/621091533.db2.gz RHYNYFAHALTPFX-TVRKMHQQSA-N 2 0 297.446 2.978 20 30 CFEDRP CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(C#N)c1 ZINC000902895636 621201648 /nfs/dbraw/zinc/20/16/48/621201648.db2.gz AVVPFTDNYXBDSI-KRWDZBQOSA-N 2 0 269.392 2.861 20 30 CFEDRP CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(C#N)c1 ZINC000902895637 621201864 /nfs/dbraw/zinc/20/18/64/621201864.db2.gz AVVPFTDNYXBDSI-QGZVFWFLSA-N 2 0 269.392 2.861 20 30 CFEDRP CC(C)C[N@H+](C)CCCN[C@H](C)c1cc(C#N)ccn1 ZINC000903039768 621231685 /nfs/dbraw/zinc/23/16/85/621231685.db2.gz XMRWOUVIEYYBME-CQSZACIVSA-N 2 0 274.412 2.582 20 30 CFEDRP C[C@H]1CCC[N@H+](CC2CCC(C#N)CC2)[C@@H]1CC[NH3+] ZINC000903460620 621381568 /nfs/dbraw/zinc/38/15/68/621381568.db2.gz FRWDTQSTPMTLIQ-SLTXQBBLSA-N 2 0 263.429 2.766 20 30 CFEDRP N#CC1CCC(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000903444964 621383992 /nfs/dbraw/zinc/38/39/92/621383992.db2.gz GRSMVWOUGKVCBJ-SJJHQCBESA-N 2 0 275.440 2.780 20 30 CFEDRP N#CC1CCC(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000903454106 621388013 /nfs/dbraw/zinc/38/80/13/621388013.db2.gz USYLVNCWPKCXHP-VMBOVVBDSA-N 2 0 275.440 2.780 20 30 CFEDRP N#Cc1ccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)o1 ZINC000903792967 621439364 /nfs/dbraw/zinc/43/93/64/621439364.db2.gz KKQPAGALRGFRIV-UHFFFAOYSA-N 2 0 295.386 2.644 20 30 CFEDRP N#CC1(CCCCN2CCC[C@@H]3C[NH2+]CC[C@@H]32)CCC1 ZINC000903781912 621440885 /nfs/dbraw/zinc/44/08/85/621440885.db2.gz XBZKAGAMFLVTOQ-CVEARBPZSA-N 2 0 275.440 2.924 20 30 CFEDRP C[N@H+](Cc1cc(C#N)cs1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000903827173 621451009 /nfs/dbraw/zinc/45/10/09/621451009.db2.gz PRJMYFPSIAIXOI-UHFFFAOYSA-N 2 0 297.427 2.897 20 30 CFEDRP C=CCOc1cccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903977322 621493642 /nfs/dbraw/zinc/49/36/42/621493642.db2.gz OXLQEZKDDKUPBV-GDBMZVCRSA-N 2 0 274.408 2.668 20 30 CFEDRP C=CC(C)(C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000824789800 623565612 /nfs/dbraw/zinc/56/56/12/623565612.db2.gz GQBMWBZDFXAINU-UHFFFAOYSA-N 2 0 287.451 2.740 20 30 CFEDRP C[C@H](CC(C)(C)C#N)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000925440373 624356465 /nfs/dbraw/zinc/35/64/65/624356465.db2.gz RBYICRZXOLIBLO-OAGGEKHMSA-N 2 0 295.471 2.794 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000921978543 626189730 /nfs/dbraw/zinc/18/97/30/626189730.db2.gz OFQKAEDDIMOHNH-UHFFFAOYSA-N 2 0 285.435 2.997 20 30 CFEDRP C[C@H]1C[N@H+](Cc2cc(Cl)cc(C#N)c2)CC[C@@H]1C[NH3+] ZINC000923491956 626476630 /nfs/dbraw/zinc/47/66/30/626476630.db2.gz KVWYJTFHWZOYRT-SMDDNHRTSA-N 2 0 277.799 2.628 20 30 CFEDRP C#CCCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000838997296 626517253 /nfs/dbraw/zinc/51/72/53/626517253.db2.gz PRLBOQANRJCPCB-UHFFFAOYSA-N 2 0 279.387 2.770 20 30 CFEDRP C#CCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000760843836 626777403 /nfs/dbraw/zinc/77/74/03/626777403.db2.gz QKWKZDZKKUELPF-IBGZPJMESA-N 2 0 282.431 2.998 20 30 CFEDRP C#C[C@@H](C)[NH+](C)Cc1ccccc1C[N@@H+](C)[C@H](C)C#C ZINC000769962099 627492666 /nfs/dbraw/zinc/49/26/66/627492666.db2.gz XNZRPVPCROMDMK-HZPDHXFCSA-N 2 0 268.404 2.594 20 30 CFEDRP C=C(C)C[N@@H+](CC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775638510 628048813 /nfs/dbraw/zinc/04/88/13/628048813.db2.gz GBUMDTRJVIAVOO-UHFFFAOYSA-N 2 0 287.451 2.836 20 30 CFEDRP C#Cc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000809544049 631231271 /nfs/dbraw/zinc/23/12/71/631231271.db2.gz XGAHHICHJKFSDV-UHFFFAOYSA-N 2 0 270.420 2.973 20 30 CFEDRP C#C[C@H](CC)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000809686217 631262332 /nfs/dbraw/zinc/26/23/32/631262332.db2.gz AYENJTONRXTLJK-QGZVFWFLSA-N 2 0 286.419 2.663 20 30 CFEDRP C#CC[N@@H+](C)CCCNc1cc[nH+]c2cc(OC)ccc12 ZINC000814929299 632168911 /nfs/dbraw/zinc/16/89/11/632168911.db2.gz HYPIBTCFIXQTFW-UHFFFAOYSA-N 2 0 283.375 2.610 20 30 CFEDRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000817919343 632734457 /nfs/dbraw/zinc/73/44/57/632734457.db2.gz QORABBQGUHKPCA-KGLIPLIRSA-N 2 0 275.396 2.757 20 30 CFEDRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000817919342 632734973 /nfs/dbraw/zinc/73/49/73/632734973.db2.gz QORABBQGUHKPCA-KBPBESRZSA-N 2 0 275.396 2.757 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(OCC#N)cc1 ZINC000817985489 632781741 /nfs/dbraw/zinc/78/17/41/632781741.db2.gz KPZAGOXHGZYIIR-GOEBONIOSA-N 2 0 299.418 2.914 20 30 CFEDRP COc1ccc(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)cc1C#N ZINC000848574536 633293914 /nfs/dbraw/zinc/29/39/14/633293914.db2.gz FJPSFJNAOPZELP-SJORKVTESA-N 2 0 299.418 2.673 20 30 CFEDRP CN(C)C(=[NH+]CCCCCCC[NH+]1CCCC1)N(C)C ZINC000848997039 633451982 /nfs/dbraw/zinc/45/19/82/633451982.db2.gz JIUDSFAMRDWCGK-UHFFFAOYSA-N 2 0 282.476 2.512 20 30 CFEDRP C[NH+](C)Cc1ccc(C[N@H+](C)[C@H]2CC[C@H](C#N)C2)cc1 ZINC000859212426 636506873 /nfs/dbraw/zinc/50/68/73/636506873.db2.gz JQIFPRBDWPRGEB-IRXDYDNUSA-N 2 0 271.408 2.872 20 30 CFEDRP C[N@H+](CCCC1CC[NH2+]CC1)CCc1cccc(C#N)c1 ZINC000866698564 638866817 /nfs/dbraw/zinc/86/68/17/638866817.db2.gz YFJSPHYIZRFIDX-UHFFFAOYSA-N 2 0 285.435 2.812 20 30 CFEDRP CC(C)[NH+]1CCC(CC[NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000871911247 641509947 /nfs/dbraw/zinc/50/99/47/641509947.db2.gz FPZPKWZYASSFME-MRXNPFEDSA-N 2 0 276.428 2.530 20 30 CFEDRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000873276537 642114958 /nfs/dbraw/zinc/11/49/58/642114958.db2.gz UVGRBQDVWGVPGH-NIKGAXFTSA-N 2 0 297.446 2.926 20 30 CFEDRP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c3ccccc31)C2 ZINC000873274939 642115456 /nfs/dbraw/zinc/11/54/56/642115456.db2.gz HXWYETFUOLPIIZ-ATZDWAIDSA-N 2 0 289.382 2.760 20 30 CFEDRP C=CCCCC[C@@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291456 642124077 /nfs/dbraw/zinc/12/40/77/642124077.db2.gz HAFTWXIGVWNVTK-HZPDHXFCSA-N 2 0 280.456 2.870 20 30 CFEDRP CC(C)(C)[NH+]1CCC([NH2+]C2CCC(C#N)CC2)CC1 ZINC000876949451 643076163 /nfs/dbraw/zinc/07/61/63/643076163.db2.gz WSWSOIXEOJGFOO-UHFFFAOYSA-N 2 0 263.429 2.921 20 30 CFEDRP C#CCCCCC[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000878147247 643760095 /nfs/dbraw/zinc/76/00/95/643760095.db2.gz BDYBFLUYLYFVML-MRXNPFEDSA-N 2 0 250.430 2.844 20 30 CFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H](C)CCCC(C)C ZINC000303708959 650999457 /nfs/dbraw/zinc/99/94/57/650999457.db2.gz NKVIQZAKGYMXSM-CABCVRRESA-N 2 0 282.476 2.590 20 30 CFEDRP COc1cccc(NC(=[NH2+])NCC[NH+](C(C)C)C(C)C)c1 ZINC000303723925 650999871 /nfs/dbraw/zinc/99/98/71/650999871.db2.gz ZJIIEDLSHCWIIY-UHFFFAOYSA-N 2 0 292.427 2.541 20 30 CFEDRP Cc1ccc(NC(=[NH2+])NCC[N@H+]2CCCC[C@@H]2C)cc1C ZINC000303872636 651004846 /nfs/dbraw/zinc/00/48/46/651004846.db2.gz CDDOFJOMOBMWTL-HNNXBMFYSA-N 2 0 288.439 2.904 20 30 CFEDRP C[C@H]1CCCC[N@@H+]1CCCCNC(=[NH2+])NC1CCCCC1 ZINC000303874967 651005038 /nfs/dbraw/zinc/00/50/38/651005038.db2.gz DJALHYUTCMIRHC-HNNXBMFYSA-N 2 0 294.487 2.878 20 30 CFEDRP Cc1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000303890096 651006431 /nfs/dbraw/zinc/00/64/31/651006431.db2.gz PXIBJOCAGFBPDI-HNNXBMFYSA-N 2 0 288.439 2.842 20 30 CFEDRP CC[N@H+](CCNC(=[NH2+])N[C@@H](C)CCCC(C)C)C1CC1 ZINC000303987971 651011117 /nfs/dbraw/zinc/01/11/17/651011117.db2.gz WARSIFDWOSFXJF-AWEZNQCLSA-N 2 0 282.476 2.590 20 30 CFEDRP CC[C@@H](C)NC(=[NH2+])NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000304005092 651013045 /nfs/dbraw/zinc/01/30/45/651013045.db2.gz SKMWWNOAIJMUMR-KGLIPLIRSA-N 2 0 290.455 2.819 20 30 CFEDRP C=CCC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)[C@@H]1CCCO1 ZINC000883169549 645637610 /nfs/dbraw/zinc/63/76/10/645637610.db2.gz YRPUCQFMHQHEPO-CVEARBPZSA-N 2 0 268.445 2.820 20 30 CFEDRP CCc1cccc(NC(=[NH2+])NCC[N@H+](C)C2CCCC2)c1 ZINC000304752425 651032464 /nfs/dbraw/zinc/03/24/64/651032464.db2.gz KGTUGXGPFFHXFA-UHFFFAOYSA-N 2 0 288.439 2.850 20 30 CFEDRP CC(C)c1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000304759671 651033008 /nfs/dbraw/zinc/03/30/08/651033008.db2.gz RLIVBGRFXUTDEQ-AWEZNQCLSA-N 2 0 288.439 2.878 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000132126498 645881018 /nfs/dbraw/zinc/88/10/18/645881018.db2.gz DKBCHOLAZGFIGW-OAHLLOKOSA-N 2 0 288.435 2.937 20 30 CFEDRP C=CCC[C@@H](CO)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886622610 647073589 /nfs/dbraw/zinc/07/35/89/647073589.db2.gz YBARMZMZYJEUQU-CGZBRXJRSA-N 2 0 280.456 2.700 20 30 CFEDRP C=C(C)C[NH+]1CCC(N[C@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925608956 648237459 /nfs/dbraw/zinc/23/74/59/648237459.db2.gz MNLWSZUSKSRGNX-YJBOKZPZSA-N 2 0 287.451 2.705 20 30 CFEDRP C=C(C)CN1CCC([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925608700 648237710 /nfs/dbraw/zinc/23/77/10/648237710.db2.gz HZBGMEJYBPMDNS-GDBMZVCRSA-N 2 0 279.472 2.523 20 30 CFEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925704679 648287209 /nfs/dbraw/zinc/28/72/09/648287209.db2.gz IVKKEZXUPAPTOD-ULQDDVLXSA-N 2 0 274.408 2.647 20 30 CFEDRP N#Cc1ccc(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925714324 648293096 /nfs/dbraw/zinc/29/30/96/648293096.db2.gz PZTZPPCNTVKQON-MOPGFXCFSA-N 2 0 297.446 2.859 20 30 CFEDRP CSc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1C#N ZINC000925773477 648318046 /nfs/dbraw/zinc/31/80/46/648318046.db2.gz NVNULQLHDDRNSS-UKRRQHHQSA-N 2 0 289.448 2.887 20 30 CFEDRP C=C1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)CC1 ZINC000926925276 648661164 /nfs/dbraw/zinc/66/11/64/648661164.db2.gz KTXRZWSCNHJGBO-AYHJJNSGSA-N 2 0 292.467 2.964 20 30 CFEDRP CC(C)[NH2+]C1CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000929962343 649156818 /nfs/dbraw/zinc/15/68/18/649156818.db2.gz SEGNGFYTRYAXKZ-UHFFFAOYSA-N 2 0 263.429 2.779 20 30 CFEDRP CC(C)(CNC(=[NH2+])NC1CCCCCC1)[NH+]1CCCCC1 ZINC000305744256 651073934 /nfs/dbraw/zinc/07/39/34/651073934.db2.gz LJYPLYHYJGUQAS-UHFFFAOYSA-N 2 0 294.487 2.878 20 30 CFEDRP C=CCCCC[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001209207696 770012357 /nfs/dbraw/zinc/01/23/57/770012357.db2.gz CGDUXHWQFJAVAU-UHFFFAOYSA-N 2 0 259.397 2.868 20 30 CFEDRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001167835574 776585131 /nfs/dbraw/zinc/58/51/31/776585131.db2.gz RJADPCJCCYUVRR-GJZGRUSLSA-N 2 0 251.418 2.732 20 30 CFEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cncc(C#N)c1 ZINC000721579385 777110282 /nfs/dbraw/zinc/11/02/82/777110282.db2.gz JNCPSLPUUUIQSK-CQSZACIVSA-N 2 0 274.412 2.553 20 30 CFEDRP C=CCOc1cccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1 ZINC001231624745 777283708 /nfs/dbraw/zinc/28/37/08/777283708.db2.gz VIDQZXBNJGZWLE-UHFFFAOYSA-N 2 0 286.419 2.779 20 30 CFEDRP C[N@@H+]1CC[C@@H]2CN(Cc3ccc(C#N)c(Cl)c3)C[C@@H]2C1 ZINC001232113371 777444257 /nfs/dbraw/zinc/44/42/57/777444257.db2.gz SXXATHFYBMWRIU-CABCVRRESA-N 2 0 289.810 2.595 20 30 CFEDRP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCC(S)CC2)c1 ZINC001232146407 777451331 /nfs/dbraw/zinc/45/13/31/777451331.db2.gz PVGRLGHLHRWEMQ-UHFFFAOYSA-N 2 0 282.428 2.782 20 30 CFEDRP C[C@H]1CC([NH2+]CCS)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168012345 777624843 /nfs/dbraw/zinc/62/48/43/777624843.db2.gz YQOHPRNFJJTHSJ-KBPBESRZSA-N 2 0 278.465 2.947 20 30 CFEDRP Cc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c(C#N)c1 ZINC001232965948 777740483 /nfs/dbraw/zinc/74/04/83/777740483.db2.gz BWXCTMAVXFZHDY-UHFFFAOYSA-N 2 0 271.408 2.640 20 30 CFEDRP CCCCCCCC[N@@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235035565 778362733 /nfs/dbraw/zinc/36/27/33/778362733.db2.gz FOECVFVDTOOFGF-HZPDHXFCSA-N 2 0 268.445 2.657 20 30 CFEDRP C=CCCCCCCCCN1CCO[C@H]2C[NH2+]CC[C@@H]21 ZINC001235238897 778426840 /nfs/dbraw/zinc/42/68/40/778426840.db2.gz FXFQHXOUUVIKSN-IRXDYDNUSA-N 2 0 280.456 2.966 20 30 CFEDRP N#Cc1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)s1 ZINC001235242742 778429021 /nfs/dbraw/zinc/42/90/21/778429021.db2.gz UOXAFGNZEBLXBO-INIZCTEOSA-N 2 0 289.448 2.974 20 30 CFEDRP CCCCCCC[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235404037 778477583 /nfs/dbraw/zinc/47/75/83/778477583.db2.gz MBOXFDQXZXPBCI-CABCVRRESA-N 2 0 256.409 2.980 20 30 CFEDRP C=CCCCCC[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235403533 778477610 /nfs/dbraw/zinc/47/76/10/778477610.db2.gz KZIFEKSQZNRQOL-HUUCEWRRSA-N 2 0 254.393 2.756 20 30 CFEDRP CCCCCCC[N@H+](CCOC)C1CC[NH2+]CC1 ZINC001235946145 778620256 /nfs/dbraw/zinc/62/02/56/778620256.db2.gz KOIDIQXZPPPOSV-UHFFFAOYSA-N 2 0 256.434 2.657 20 30 CFEDRP C=CC[N@H+](Cc1ccccc1)CC1(F)CC[NH2+]CC1 ZINC001235962069 778631183 /nfs/dbraw/zinc/63/11/83/778631183.db2.gz KDVLBZIADAAIQU-UHFFFAOYSA-N 2 0 262.372 2.766 20 30 CFEDRP N#Cc1ccc(Cl)c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236321187 778779025 /nfs/dbraw/zinc/77/90/25/778779025.db2.gz XPMCGIZGUVBIRB-OKILXGFUSA-N 2 0 289.810 2.643 20 30 CFEDRP C=CCNCC[N@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236756321 778928658 /nfs/dbraw/zinc/92/86/58/778928658.db2.gz UMHQVBOXNOTSJL-IYARVYRRSA-N 2 0 293.499 2.914 20 30 CFEDRP CCCCCCCN(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001236922185 778981751 /nfs/dbraw/zinc/98/17/51/778981751.db2.gz DTSMCDIZQYUFER-INIZCTEOSA-N 2 0 269.477 2.572 20 30 CFEDRP C[N@@H+](Cc1cc(C#N)c(F)cc1F)CC1CC[NH+](C)CC1 ZINC001237525542 779126898 /nfs/dbraw/zinc/12/68/98/779126898.db2.gz GWGVRTDZMOZONX-UHFFFAOYSA-N 2 0 293.361 2.610 20 30 CFEDRP C[C@@H]1C[C@@H](C[NH2+]C(C)(C)c2cccc(C#N)c2)CC[NH2+]1 ZINC000594736625 349484743 /nfs/dbraw/zinc/48/47/43/349484743.db2.gz TWUOLMXDDLTAIK-HIFRSBDPSA-N 2 0 271.408 2.771 20 30 CFEDRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594917760 349505965 /nfs/dbraw/zinc/50/59/65/349505965.db2.gz NJBSOHXALJMOQS-AWEZNQCLSA-N 2 0 271.408 2.672 20 30 CFEDRP C[C@@H]([NH2+]CC1(C#N)CCCCC1)C1CC[NH+](C)CC1 ZINC000595089956 349576988 /nfs/dbraw/zinc/57/69/88/349576988.db2.gz ARVQVBBIZZWAQI-CQSZACIVSA-N 2 0 263.429 2.780 20 30 CFEDRP CCC[NH+]1CCC([N@H+](C)CCc2ccc(C#N)cc2)CC1 ZINC000595346578 349607057 /nfs/dbraw/zinc/60/70/57/349607057.db2.gz KJDMVQFCHDXUII-UHFFFAOYSA-N 2 0 285.435 2.907 20 30 CFEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000595375846 349611998 /nfs/dbraw/zinc/61/19/98/349611998.db2.gz FAKHJLLJVFLCDR-CRAIPNDOSA-N 2 0 285.435 2.763 20 30 CFEDRP N#Cc1ccc(CC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000595884971 349760712 /nfs/dbraw/zinc/76/07/12/349760712.db2.gz KEALIYSMESOROI-QZTJIDSGSA-N 2 0 283.419 2.565 20 30 CFEDRP N#Cc1ccc(CC[NH2+][C@@H](CN)C2CCCCC2)cc1 ZINC000595892595 349762864 /nfs/dbraw/zinc/76/28/64/349762864.db2.gz NHWUQBOVPCPTFZ-KRWDZBQOSA-N 2 0 271.408 2.598 20 30 CFEDRP C[NH2+]CCCN(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000595893420 349763528 /nfs/dbraw/zinc/76/35/28/349763528.db2.gz QPOZKPAIPVLTQV-UHFFFAOYSA-N 2 0 285.313 2.618 20 30 CFEDRP CC[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000423450361 529662710 /nfs/dbraw/zinc/66/27/10/529662710.db2.gz XHBAPWMQHHUEKH-OKZBNKHCSA-N 2 0 283.419 2.987 20 30 CFEDRP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000596095396 349793519 /nfs/dbraw/zinc/79/35/19/349793519.db2.gz PZITXJMYVAOTPA-ZACQAIPSSA-N 2 0 275.440 2.780 20 30 CFEDRP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000596652034 349968699 /nfs/dbraw/zinc/96/86/99/349968699.db2.gz FJGPAXSKDKWUAY-SJORKVTESA-N 2 0 271.408 2.899 20 30 CFEDRP N#Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000596650212 349968956 /nfs/dbraw/zinc/96/89/56/349968956.db2.gz JLXHMENPJLGQOW-KZNAEPCWSA-N 2 0 283.419 2.611 20 30 CFEDRP CC#CC[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000122663547 347816421 /nfs/dbraw/zinc/81/64/21/347816421.db2.gz CHTJWLOBAVITHQ-UHFFFAOYSA-N 2 0 250.430 2.844 20 30 CFEDRP CC#CC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000160363560 348017219 /nfs/dbraw/zinc/01/72/19/348017219.db2.gz ZQVFDBMCMZTLSF-UHFFFAOYSA-N 2 0 270.420 2.854 20 30 CFEDRP C[NH+](C)CCOc1ccc(C[NH2+]CC(C)(C)CC#N)cc1 ZINC000590970622 348974566 /nfs/dbraw/zinc/97/45/66/348974566.db2.gz BDCHZTBIDBPHHH-UHFFFAOYSA-N 2 0 289.423 2.656 20 30 CFEDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591573438 349030762 /nfs/dbraw/zinc/03/07/62/349030762.db2.gz WXKIRFBPSNGRQH-IAQYHMDHSA-N 2 0 277.799 2.689 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000591577866 349030814 /nfs/dbraw/zinc/03/08/14/349030814.db2.gz KBMPZFYDLHQWSS-PBHICJAKSA-N 2 0 269.392 2.525 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000591579368 349032132 /nfs/dbraw/zinc/03/21/32/349032132.db2.gz RCUKRRDWYAMSFN-DLBZAZTESA-N 2 0 281.403 2.667 20 30 CFEDRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC[NH2+]1 ZINC000591581475 349032844 /nfs/dbraw/zinc/03/28/44/349032844.db2.gz XPKKWKJLSMKAGZ-VMGRFDJRSA-N 2 0 269.392 2.666 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(C#N)cc1 ZINC000591582590 349032885 /nfs/dbraw/zinc/03/28/85/349032885.db2.gz MUURPMRWTFMCQF-XJKSGUPXSA-N 2 0 269.392 2.884 20 30 CFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000591580483 349032977 /nfs/dbraw/zinc/03/29/77/349032977.db2.gz JWAAPTJTABKXOQ-MTNOOBJLSA-N 2 0 295.430 2.913 20 30 CFEDRP N#Cc1cccc(C2([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000592470805 349126294 /nfs/dbraw/zinc/12/62/94/349126294.db2.gz IUAPOKSROGFQMT-ZMSDIMECSA-N 2 0 281.403 2.525 20 30 CFEDRP N#Cc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592986370 349181506 /nfs/dbraw/zinc/18/15/06/349181506.db2.gz ZVJNBYMURJRBOC-ROUUACIJSA-N 2 0 283.419 2.770 20 30 CFEDRP CC[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000593323620 349247440 /nfs/dbraw/zinc/24/74/40/349247440.db2.gz RHWLRSYGHVFGTD-KRWDZBQOSA-N 2 0 271.408 2.989 20 30 CFEDRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594495094 349430309 /nfs/dbraw/zinc/43/03/09/349430309.db2.gz LVIGGGPHPAHAHC-MRXNPFEDSA-N 2 0 285.435 2.919 20 30 CFEDRP C[NH+]1CCC(CC[NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000602003232 350828168 /nfs/dbraw/zinc/82/81/68/350828168.db2.gz SFVOIIBVGKLYCP-UHFFFAOYSA-N 2 0 275.371 2.519 20 30 CFEDRP C[C@H](CCC#N)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000602478249 350898619 /nfs/dbraw/zinc/89/86/19/350898619.db2.gz OKLWNEQSWPKHTM-HZPDHXFCSA-N 2 0 263.429 2.877 20 30 CFEDRP C[C@@H](CCC#N)C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000602504819 350908295 /nfs/dbraw/zinc/90/82/95/350908295.db2.gz WGDYFZXJMPTUCP-LSDHHAIUSA-N 2 0 251.418 2.780 20 30 CFEDRP C[C@@H](CCC#N)C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000602516995 350912361 /nfs/dbraw/zinc/91/23/61/350912361.db2.gz UYOLXMNLAFXGOP-HNNXBMFYSA-N 2 0 289.423 2.656 20 30 CFEDRP CC[NH+]1CCC(CC[NH2+]C2CCC(C#N)CC2)CC1 ZINC000602557317 350923827 /nfs/dbraw/zinc/92/38/27/350923827.db2.gz JIUCGMAFXFGZCJ-UHFFFAOYSA-N 2 0 263.429 2.780 20 30 CFEDRP C[C@@H](CCC#N)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000602564754 350926899 /nfs/dbraw/zinc/92/68/99/350926899.db2.gz CNRICXXLJJKZTG-AWEZNQCLSA-N 2 0 263.429 2.923 20 30 CFEDRP C[C@H](CCC#N)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000602473220 350894880 /nfs/dbraw/zinc/89/48/80/350894880.db2.gz DCIZCYNGPKJIRC-CABCVRRESA-N 2 0 251.418 2.732 20 30 CFEDRP C[C@H](CC[NH2+]C1CCC(C#N)CC1)[NH+]1CCCCC1 ZINC000602607188 350943678 /nfs/dbraw/zinc/94/36/78/350943678.db2.gz IAVNSAMUFQJIEH-QQFBHYJXSA-N 2 0 263.429 2.923 20 30 CFEDRP C[NH+](C)CCCC1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000611236351 351654461 /nfs/dbraw/zinc/65/44/61/351654461.db2.gz HPOUSIBGLVQWGA-UHFFFAOYSA-N 2 0 286.423 2.507 20 30 CFEDRP C[C@H]1CCN(CC[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611393407 351681492 /nfs/dbraw/zinc/68/14/92/351681492.db2.gz FJZGIZTYUJMMLT-KSSFIOAISA-N 2 0 283.419 2.867 20 30 CFEDRP CC(C)(C#N)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000612588238 351840359 /nfs/dbraw/zinc/84/03/59/351840359.db2.gz TUVAVYJWNVUGOM-UHFFFAOYSA-N 2 0 263.429 2.923 20 30 CFEDRP C#CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000271733299 191297247 /nfs/dbraw/zinc/29/72/47/191297247.db2.gz STLNQNKGQIYHMC-IAGOWNOFSA-N 2 0 256.393 2.825 20 30 CFEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000423274549 283196909 /nfs/dbraw/zinc/19/69/09/283196909.db2.gz MALYBUJCIQQIBV-GUYCJALGSA-N 2 0 269.392 2.525 20 30 CFEDRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1cccc(C#N)c1 ZINC000423095163 238198701 /nfs/dbraw/zinc/19/87/01/238198701.db2.gz DLIYUGUCXSJKKB-KXBFYZLASA-N 2 0 293.414 2.649 20 30 CFEDRP C=CCOc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000020087847 372227086 /nfs/dbraw/zinc/22/70/86/372227086.db2.gz LLGNQIAQGIDBRQ-UHFFFAOYSA-N 2 0 276.424 2.929 20 30 CFEDRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(OCC#N)cc1 ZINC000037197118 372662840 /nfs/dbraw/zinc/66/28/40/372662840.db2.gz HHCIFORRAQZHKE-AWEZNQCLSA-N 2 0 289.423 2.827 20 30 CFEDRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000049554008 373310364 /nfs/dbraw/zinc/31/03/64/373310364.db2.gz OMQVPYZQZKGGJD-ZIAGYGMSSA-N 2 0 275.396 2.580 20 30 CFEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000264115524 383698347 /nfs/dbraw/zinc/69/83/47/383698347.db2.gz SLDHJLWKPXXUNU-OAHLLOKOSA-N 2 0 288.439 2.762 20 30 CFEDRP CC[C@H](C)NC(=[NH2+])NCc1ccccc1C[NH+](CC)CC ZINC000264144749 383700170 /nfs/dbraw/zinc/70/01/70/383700170.db2.gz XOSQARXYIKBDRI-AWEZNQCLSA-N 2 0 290.455 2.731 20 30 CFEDRP CC(C)(C#N)CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000119687724 376451886 /nfs/dbraw/zinc/45/18/86/376451886.db2.gz OSLIINVMQAOWPN-HNNXBMFYSA-N 2 0 263.429 2.734 20 30 CFEDRP C[NH+](C)CC1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000119896038 376499874 /nfs/dbraw/zinc/49/98/74/376499874.db2.gz UFQKBWUJHZUKMR-UHFFFAOYSA-N 2 0 277.437 2.830 20 30 CFEDRP Cn1ccnc1C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000123620309 376962397 /nfs/dbraw/zinc/96/23/97/376962397.db2.gz LDACZBMNIMZSPS-QGZVFWFLSA-N 2 0 294.402 2.746 20 30 CFEDRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CC(C#N)(c3ccccc3)C2)C1 ZINC000126138020 377213663 /nfs/dbraw/zinc/21/36/63/377213663.db2.gz SBMUXKAVWGOXKR-IPJUCJBFSA-N 2 0 297.446 2.932 20 30 CFEDRP CC(C)(CCC#N)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000127783636 377302176 /nfs/dbraw/zinc/30/21/76/377302176.db2.gz HTJAYHWIIIVUPF-UHFFFAOYSA-N 2 0 263.429 2.877 20 30 CFEDRP C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000129102509 377386321 /nfs/dbraw/zinc/38/63/21/377386321.db2.gz WPDHWAAOULQTKV-QZTJIDSGSA-N 2 0 294.483 2.902 20 30 CFEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000264297516 383723169 /nfs/dbraw/zinc/72/31/69/383723169.db2.gz QWZOTTBXMIQAID-AWEZNQCLSA-N 2 0 276.428 2.760 20 30 CFEDRP C=CCC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccco1 ZINC000278487354 194007557 /nfs/dbraw/zinc/00/75/57/194007557.db2.gz BEZCAKLQAYZMAV-INIZCTEOSA-N 2 0 291.439 2.514 20 30 CFEDRP Cc1cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)ccc1C#N ZINC000335674228 379700448 /nfs/dbraw/zinc/70/04/48/379700448.db2.gz XHIIGHPTOWMGOA-WMLDXEAASA-N 2 0 271.408 2.639 20 30 CFEDRP C[NH+]1CCC(C)(C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000334652916 379713099 /nfs/dbraw/zinc/71/30/99/379713099.db2.gz GXRUAYXRZOACGG-UHFFFAOYSA-N 2 0 263.429 2.780 20 30 CFEDRP N#C[C@H]1CCC[C@@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000335020270 379957597 /nfs/dbraw/zinc/95/75/97/379957597.db2.gz HFMLFHKSGMDLOY-NGHVJFNESA-N 2 0 287.451 2.812 20 30 CFEDRP C[NH+]1CCC2(CCC[N@@H+]2Cc2cc(C#N)cs2)CC1 ZINC000336547280 380449206 /nfs/dbraw/zinc/44/92/06/380449206.db2.gz QMPMTWHBVNZTKL-UHFFFAOYSA-N 2 0 275.421 2.680 20 30 CFEDRP C=CC[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181633371 380848986 /nfs/dbraw/zinc/84/89/86/380848986.db2.gz LLGDWMFZXAZUHP-CQSZACIVSA-N 2 0 291.414 2.804 20 30 CFEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000404596556 380906382 /nfs/dbraw/zinc/90/63/82/380906382.db2.gz YCFWZXGDVGRBMX-DJIMGWMZSA-N 2 0 287.382 2.708 20 30 CFEDRP C=CCOCCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000348056914 381458055 /nfs/dbraw/zinc/45/80/55/381458055.db2.gz OSXUBPBITNOQBO-MRXNPFEDSA-N 2 0 266.429 2.529 20 30 CFEDRP C=CCOCCCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000348055193 381458695 /nfs/dbraw/zinc/45/86/95/381458695.db2.gz PCLKVVARGUZOSU-CVEARBPZSA-N 2 0 266.429 2.526 20 30 CFEDRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000342719577 381496735 /nfs/dbraw/zinc/49/67/35/381496735.db2.gz GKUJGJHUTNAXCK-MAUKXSAKSA-N 2 0 285.435 2.915 20 30 CFEDRP N#C[C@H]1CCC[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000185878235 381765410 /nfs/dbraw/zinc/76/54/10/381765410.db2.gz PSCMXHACEFEDDX-IRXDYDNUSA-N 2 0 298.434 2.970 20 30 CFEDRP N#Cc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)o1 ZINC000293049478 381967152 /nfs/dbraw/zinc/96/71/52/381967152.db2.gz RLQUOVIZHAKFGJ-UHFFFAOYSA-N 2 0 261.369 2.507 20 30 CFEDRP N#Cc1cccc(C[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000293140839 382005606 /nfs/dbraw/zinc/00/56/06/382005606.db2.gz UDKVVNFTRBEEDC-UHFFFAOYSA-N 2 0 271.408 2.914 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)[C@H]2CCC[C@@H]21 ZINC000375836217 382105150 /nfs/dbraw/zinc/10/51/50/382105150.db2.gz BNCUSQPIJUGNQO-SQNIBIBYSA-N 2 0 299.418 2.551 20 30 CFEDRP C#CCC[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375450685 382086895 /nfs/dbraw/zinc/08/68/95/382086895.db2.gz ZWXIPSZZAOABMZ-IAGOWNOFSA-N 2 0 256.393 2.682 20 30 CFEDRP C=CC[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(OC)cc1 ZINC000420320576 382366427 /nfs/dbraw/zinc/36/64/27/382366427.db2.gz QRCYMTTZNQAFGR-OAHLLOKOSA-N 2 0 274.408 2.683 20 30 CFEDRP N#Cc1ccc(F)c(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000365549506 382410828 /nfs/dbraw/zinc/41/08/28/382410828.db2.gz RPJBDRYXDYQVQV-JFIYKMOQSA-N 2 0 299.393 2.613 20 30 CFEDRP C=CCCCCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000365835528 382452454 /nfs/dbraw/zinc/45/24/54/382452454.db2.gz GGKBDKLKVVMQAY-BRWVUGGUSA-N 2 0 280.456 2.916 20 30 CFEDRP C=CCOc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000311884808 382508848 /nfs/dbraw/zinc/50/88/48/382508848.db2.gz YZIVIGGOSXAXCL-CQSZACIVSA-N 2 0 262.397 2.539 20 30 CFEDRP C[C@@H]1CN(C)C[C@H]1[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000358331419 382572205 /nfs/dbraw/zinc/57/22/05/382572205.db2.gz SQBUZWLCVPMWRD-VNQPRFMTSA-N 2 0 257.381 2.571 20 30 CFEDRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H](CCC#N)c1ccccc1 ZINC000358331415 382572662 /nfs/dbraw/zinc/57/26/62/382572662.db2.gz SQBUZWLCVPMWRD-BMFZPTHFSA-N 2 0 257.381 2.571 20 30 CFEDRP CC1CC[NH+](CCCC[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442717791 382949412 /nfs/dbraw/zinc/94/94/12/382949412.db2.gz OGPJEBNVBZSKLA-JKSUJKDBSA-N 2 0 263.429 2.780 20 30 CFEDRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CC[C@H](C#N)C2)c1 ZINC000442764203 382953033 /nfs/dbraw/zinc/95/30/33/382953033.db2.gz CNNBIDMYUTXCSQ-YOEHRIQHSA-N 2 0 271.408 2.920 20 30 CFEDRP N#C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)C1 ZINC000442774689 382954278 /nfs/dbraw/zinc/95/42/78/382954278.db2.gz FELJLAIGSKTUTI-WBVHZDCISA-N 2 0 275.440 2.923 20 30 CFEDRP CC[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000578347388 382913020 /nfs/dbraw/zinc/91/30/20/382913020.db2.gz IIFBFGIBVOEXHF-INIZCTEOSA-N 2 0 257.381 2.599 20 30 CFEDRP C=CCOc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000442919553 382963099 /nfs/dbraw/zinc/96/30/99/382963099.db2.gz JOXCTUIHWFGFSV-OAHLLOKOSA-N 2 0 274.408 2.812 20 30 CFEDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000442877497 382963503 /nfs/dbraw/zinc/96/35/03/382963503.db2.gz ZNTYNOGOZSZTDI-HRMROMONSA-N 2 0 263.429 2.635 20 30 CFEDRP C[C@H](CCC[NH3+])[NH2+]CCSCc1ccccc1C#N ZINC000422985038 382996384 /nfs/dbraw/zinc/99/63/84/382996384.db2.gz BVBRDQXJWQAUPS-CYBMUJFWSA-N 2 0 277.437 2.508 20 30 CFEDRP N#Cc1ccc(OCC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422988067 382999083 /nfs/dbraw/zinc/99/90/83/382999083.db2.gz IADBCUAVVHPDRJ-ZWKOTPCHSA-N 2 0 293.370 2.671 20 30 CFEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)CC2 ZINC000579354523 383007469 /nfs/dbraw/zinc/00/74/69/383007469.db2.gz BPTNIRYEYNBENH-SFHVURJKSA-N 2 0 277.371 2.794 20 30 CFEDRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(C#N)c1 ZINC000423010106 383009904 /nfs/dbraw/zinc/00/99/04/383009904.db2.gz WZNDTSJWRLFNEG-HEHGZKQESA-N 2 0 257.381 2.597 20 30 CFEDRP C[C@H](c1ccc(C#N)cc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246972902 383127761 /nfs/dbraw/zinc/12/77/61/383127761.db2.gz OTCROJUSXPGKOC-ZBFHGGJFSA-N 2 0 271.408 2.893 20 30 CFEDRP N#C[C@@H]1CC[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000583815915 383092960 /nfs/dbraw/zinc/09/29/60/383092960.db2.gz FEPVXVMYKPRKPB-CVEARBPZSA-N 2 0 284.407 2.580 20 30 CFEDRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(C#N)c1 ZINC000423460379 383104324 /nfs/dbraw/zinc/10/43/24/383104324.db2.gz AVXJOHVZXLSUOD-BJJXKVORSA-N 2 0 257.381 2.726 20 30 CFEDRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)[C@H]2CCC[C@H]21 ZINC000564656448 383171013 /nfs/dbraw/zinc/17/10/13/383171013.db2.gz RGLUAMQDTYLTTE-FGTMMUONSA-N 2 0 283.419 2.715 20 30 CFEDRP C=CCCCC[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000449074007 383162057 /nfs/dbraw/zinc/16/20/57/383162057.db2.gz AXZVMSHZWYULBS-DLBZAZTESA-N 2 0 281.488 2.737 20 30 CFEDRP N#CCC1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000516562058 383165430 /nfs/dbraw/zinc/16/54/30/383165430.db2.gz KOFAFMLXMWGRPX-YJBOKZPZSA-N 2 0 297.402 2.526 20 30 CFEDRP C[C@H](CC[NH2+][C@@H]1CCC[C@@H](C#N)C1)[NH+]1CCCCC1 ZINC000248816612 383292775 /nfs/dbraw/zinc/29/27/75/383292775.db2.gz KZMWCLFREZXVLM-BZUAXINKSA-N 2 0 263.429 2.923 20 30 CFEDRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCC[C@@H](C#N)C2)C[C@H](C)O1 ZINC000248849387 383297405 /nfs/dbraw/zinc/29/74/05/383297405.db2.gz OOBRQBQGIKCHGU-YYIAUSFCSA-N 2 0 293.455 2.548 20 30 CFEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000449546671 383354269 /nfs/dbraw/zinc/35/42/69/383354269.db2.gz CZYYBDGJQYKKNQ-CABCVRRESA-N 2 0 266.429 2.573 20 30 CFEDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](C#N)CCC#N ZINC000568750627 383432341 /nfs/dbraw/zinc/43/23/41/383432341.db2.gz BFAPQILGEPGGQF-JKSUJKDBSA-N 2 0 276.428 2.674 20 30 CFEDRP C=CC[C@H](C)[C@@H](C)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635007121 383463586 /nfs/dbraw/zinc/46/35/86/383463586.db2.gz FBJOBUMUOHFCJN-UONOGXRCSA-N 2 0 274.412 2.504 20 30 CFEDRP C=CCCC(C)(C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000635021956 383473302 /nfs/dbraw/zinc/47/33/02/383473302.db2.gz QINGPWRCXFXWJD-SOUVJXGZSA-N 2 0 250.430 2.957 20 30 CFEDRP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)ccc1C#N ZINC000572764086 383814519 /nfs/dbraw/zinc/81/45/19/383814519.db2.gz GMVZAZJRXHNEIU-INIZCTEOSA-N 2 0 271.408 2.687 20 30 CFEDRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000271938653 385405620 /nfs/dbraw/zinc/40/56/20/385405620.db2.gz ODUOAMWDGKHEMT-STQMWFEESA-N 2 0 275.371 2.690 20 30 CFEDRP C#CCOc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000272539312 385560661 /nfs/dbraw/zinc/56/06/61/385560661.db2.gz KXGLIYQHBODYKV-UHFFFAOYSA-N 2 0 286.419 2.520 20 30 CFEDRP C[NH+]1CCC2(CC[N@H+](CC#Cc3ccc(F)cc3)C2)CC1 ZINC000639757387 385698489 /nfs/dbraw/zinc/69/84/89/385698489.db2.gz KNXODRIRIGMEJP-UHFFFAOYSA-N 2 0 286.394 2.595 20 30 CFEDRP C=CC[N@@H+]1CCC[C@@H]1c1ccc(C2=CC[NH2+]C2)cc1 ZINC001243114434 781995029 /nfs/dbraw/zinc/99/50/29/781995029.db2.gz CHKUMSIGBCPSOJ-QGZVFWFLSA-N 2 0 254.377 2.996 20 30 CFEDRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000249370473 131121186 /nfs/dbraw/zinc/12/11/86/131121186.db2.gz AZAKLTRTMPQTND-HIFRSBDPSA-N 2 0 257.381 2.551 20 30 CFEDRP C=C(Br)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374075026 393481736 /nfs/dbraw/zinc/48/17/36/393481736.db2.gz PKUCXGVNCGLPMO-UHFFFAOYSA-N 2 0 287.245 2.703 20 30 CFEDRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339059619 393813679 /nfs/dbraw/zinc/81/36/79/393813679.db2.gz GHCPHIVLXMYWPH-SJLPKXTDSA-N 2 0 298.434 2.922 20 30 CFEDRP C=CCCC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435615987 394018813 /nfs/dbraw/zinc/01/88/13/394018813.db2.gz JNFQYQPHSXMLBY-QGZVFWFLSA-N 2 0 273.424 2.992 20 30 CFEDRP CC(C)[N@H+](C)Cc1ccccc1C[NH+]=C(N(C)C)N(C)C ZINC000262011824 393952710 /nfs/dbraw/zinc/95/27/10/393952710.db2.gz UJKKTRWCYAOYQP-UHFFFAOYSA-N 2 0 290.455 2.506 20 30 CFEDRP CC(C)(CCC#N)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000360777257 394158655 /nfs/dbraw/zinc/15/86/55/394158655.db2.gz KPHRVMQUNUXHOH-OWCLPIDISA-N 2 0 275.440 2.732 20 30 CFEDRP CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(C#N)cc1 ZINC000293872122 394285745 /nfs/dbraw/zinc/28/57/45/394285745.db2.gz YGHSAJHSBJQNHQ-XJKSGUPXSA-N 2 0 259.397 2.797 20 30 CFEDRP C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000540705162 394651677 /nfs/dbraw/zinc/65/16/77/394651677.db2.gz BMIOJRTZPRVAQA-CHWSQXEVSA-N 2 0 275.371 2.690 20 30 CFEDRP C=CCOc1cccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647483064 395355875 /nfs/dbraw/zinc/35/58/75/395355875.db2.gz WFSAKXPIGBOMSM-UHFFFAOYSA-N 2 0 286.419 2.968 20 30 CFEDRP C=C(C)[C@@H](CO)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000649245900 395459861 /nfs/dbraw/zinc/45/98/61/395459861.db2.gz ZHZTWNSNVSIOMF-QGZVFWFLSA-N 2 0 280.456 2.511 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000353422492 163362291 /nfs/dbraw/zinc/36/22/91/163362291.db2.gz BWAGAYNBNGFFGH-RDTXWAMCSA-N 2 0 281.403 2.619 20 30 CFEDRP C=C(C)C[NH+]1CCC(NCc2nccn2C(C)C)CC1 ZINC000657351927 413486665 /nfs/dbraw/zinc/48/66/65/413486665.db2.gz BOSWCDDCBIBWTM-UHFFFAOYSA-N 2 0 276.428 2.594 20 30 CFEDRP C=CCCC[C@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325347 414507187 /nfs/dbraw/zinc/50/71/87/414507187.db2.gz MBUSQOMJZGBYKU-JKSUJKDBSA-N 2 0 268.445 2.774 20 30 CFEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000656197119 414532008 /nfs/dbraw/zinc/53/20/08/414532008.db2.gz GOHXBHMCMUMPLK-GVDBMIGSSA-N 2 0 279.472 2.545 20 30 CFEDRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000044532941 175195637 /nfs/dbraw/zinc/19/56/37/175195637.db2.gz HJCQRYRENOMAPQ-DZGCQCFKSA-N 2 0 257.381 2.551 20 30 CFEDRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000044532937 175196078 /nfs/dbraw/zinc/19/60/78/175196078.db2.gz HJCQRYRENOMAPQ-ZFWWWQNUSA-N 2 0 257.381 2.551 20 30 CFEDRP CC[N@@H+]1CC[C@H](C[NH2+]C2CC(C#N)(c3ccccc3)C2)C1 ZINC000086037192 260206862 /nfs/dbraw/zinc/20/68/62/260206862.db2.gz HLKXXOWFZMMFIB-FAEJEUNOSA-N 2 0 283.419 2.542 20 30 CFEDRP CC1(C#N)CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000449092280 260210477 /nfs/dbraw/zinc/21/04/77/260210477.db2.gz TYAFLENREHDUCH-LVDPKSTMSA-N 2 0 261.413 2.675 20 30 CFEDRP C[N@H+](Cc1ccc(OCC#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285414744 263092779 /nfs/dbraw/zinc/09/27/79/263092779.db2.gz GDFJNKOTZBBTRZ-SJPCQFCGSA-N 2 0 299.418 2.646 20 30 CFEDRP CC(C)c1cccc(NC(=[NH2+])NC[C@H](C)C[NH+](C)C)c1 ZINC000291869565 263126259 /nfs/dbraw/zinc/12/62/59/263126259.db2.gz HGFCEHMAYYDOHQ-ZDUSSCGKSA-N 2 0 276.428 2.734 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)[C@@H]1CCC[NH2+]C1 ZINC000423218659 274522620 /nfs/dbraw/zinc/52/26/20/274522620.db2.gz SFAWSBSJZNQTSO-XGWLTEMNSA-N 2 0 269.392 2.523 20 30 CFEDRP C#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000289066492 275388062 /nfs/dbraw/zinc/38/80/62/275388062.db2.gz ACSOUYDDTKPIOX-IAGOWNOFSA-N 2 0 256.393 2.630 20 30 CFEDRP C[NH+]1CCC(CC[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353431240 277026347 /nfs/dbraw/zinc/02/63/47/277026347.db2.gz YIUAUHINGPOPFM-SFHVURJKSA-N 2 0 283.419 2.867 20 30 CFEDRP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(C#N)cc1 ZINC000423379878 288088795 /nfs/dbraw/zinc/08/87/95/288088795.db2.gz YBXVCQWYVSBMLA-PMPSAXMXSA-N 2 0 257.381 2.869 20 30 CFEDRP CC[N@H+](C)C[C@@H]1CCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000249283486 281054979 /nfs/dbraw/zinc/05/49/79/281054979.db2.gz OJUXRAISJUTUEQ-ZBFHGGJFSA-N 2 0 271.408 2.893 20 30 CFEDRP CC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)c1ccc(C#N)cc1 ZINC000562592733 290058400 /nfs/dbraw/zinc/05/84/00/290058400.db2.gz VEDVIWSWDLUWHD-CZUORRHYSA-N 2 0 259.397 2.939 20 30 CFEDRP C=CCCCC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000571392566 328118058 /nfs/dbraw/zinc/11/80/58/328118058.db2.gz USYWUWYSQSHMDG-ROUUACIJSA-N 2 0 293.499 2.833 20 30 CFEDRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185760142 329331269 /nfs/dbraw/zinc/33/12/69/329331269.db2.gz QBWIYNILTVIJAA-DLBZAZTESA-N 2 0 271.408 2.920 20 30 CFEDRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185772653 329331627 /nfs/dbraw/zinc/33/16/27/329331627.db2.gz OZZXJLZDGQTGOU-GDBMZVCRSA-N 2 0 263.429 2.779 20 30 CFEDRP C=CCCCCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000193310930 329440120 /nfs/dbraw/zinc/44/01/20/329440120.db2.gz HCXOVALCZAEMIZ-UHFFFAOYSA-N 2 0 280.456 2.777 20 30 CFEDRP C[NH+]=C(NC1CCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000262805016 330032731 /nfs/dbraw/zinc/03/27/31/330032731.db2.gz SKBGCGVNIYFCGK-UHFFFAOYSA-N 2 0 292.471 2.501 20 30 CFEDRP N#CCc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000580432011 330131660 /nfs/dbraw/zinc/13/16/60/330131660.db2.gz KKCKLLYSHZANII-CVEARBPZSA-N 2 0 257.381 2.502 20 30 CFEDRP C=C(C)C[NH+]1CCC(N[C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000422982751 330162670 /nfs/dbraw/zinc/16/26/70/330162670.db2.gz XUYZDLRDNNAKBB-AEFFLSMTSA-N 2 0 293.499 2.927 20 30 CFEDRP N#CC1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000423094187 330169587 /nfs/dbraw/zinc/16/95/87/330169587.db2.gz BAJLGOIHSVMVBK-GADNRMJZSA-N 2 0 275.440 2.827 20 30 CFEDRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000423154412 330173154 /nfs/dbraw/zinc/17/31/54/330173154.db2.gz HQUKVKHFDFPXOA-HJWJTTGWSA-N 2 0 271.408 2.617 20 30 CFEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423161883 330173612 /nfs/dbraw/zinc/17/36/12/330173612.db2.gz SQTGAHYFYWYETI-RFBLXINOSA-N 2 0 261.413 2.579 20 30 CFEDRP C=CCC[C@@H](CCC)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423409388 330197088 /nfs/dbraw/zinc/19/70/88/330197088.db2.gz PWCNPPXSYGQZEB-OAHLLOKOSA-N 2 0 268.445 2.727 20 30 CFEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000424378515 330349016 /nfs/dbraw/zinc/34/90/16/330349016.db2.gz SVZPECNYLJRQTJ-OLMNGRFOSA-N 2 0 261.413 2.579 20 30 CFEDRP N#C[C@H]1CC[C@H]([NH2+]CCCCC[NH+]2CCCCC2)C1 ZINC000442778234 330782356 /nfs/dbraw/zinc/78/23/56/330782356.db2.gz KGKUVBJEWAMUEU-HOTGVXAUSA-N 2 0 263.429 2.924 20 30 CFEDRP CC(C)(C)[NH+]1CCC([NH2+]CC(C)(C)CC#N)CC1 ZINC000459684082 331294207 /nfs/dbraw/zinc/29/42/07/331294207.db2.gz BPJKCTGGTRMTOJ-UHFFFAOYSA-N 2 0 251.418 2.779 20 30 CFEDRP C=CCCCC[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000577261710 335331457 /nfs/dbraw/zinc/33/14/57/335331457.db2.gz XRQYKRWOBVZRHL-UHFFFAOYSA-N 2 0 275.396 2.569 20 30 CFEDRP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)ccc1C#N ZINC000423120031 533896929 /nfs/dbraw/zinc/89/69/29/533896929.db2.gz FQSCUFYHXOWWPE-YESZJQIVSA-N 2 0 299.418 2.577 20 30 CFEDRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000245417240 521714275 /nfs/dbraw/zinc/71/42/75/521714275.db2.gz FVWXRFDWSPQLTC-WMLDXEAASA-N 2 0 271.408 2.720 20 30 CFEDRP C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000352527037 526865818 /nfs/dbraw/zinc/86/58/18/526865818.db2.gz VLJMYSNKVXPRMX-MRXNPFEDSA-N 2 0 274.408 2.955 20 30 CFEDRP C=CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000347050717 526868315 /nfs/dbraw/zinc/86/83/15/526868315.db2.gz RDUIMIXXTOWWCS-GDBMZVCRSA-N 2 0 274.408 2.811 20 30 CFEDRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421362589 528968043 /nfs/dbraw/zinc/96/80/43/528968043.db2.gz JQUGWUHIKMBTOT-UHFFFAOYSA-N 2 0 289.398 2.909 20 30 CFEDRP CC[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423280017 529168425 /nfs/dbraw/zinc/16/84/25/529168425.db2.gz UBLCAIYEJWMPLZ-DOTOQJQBSA-N 2 0 271.408 2.989 20 30 CFEDRP C#CCCC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000742384982 574326732 /nfs/dbraw/zinc/32/67/32/574326732.db2.gz AQHIMKYXVIXEJG-UHFFFAOYSA-N 2 0 286.419 2.664 20 30 CFEDRP CC[NH+](CC)[C@H](C[NH+]=C(N(C)C)N(C)C)c1ccccc1 ZINC000104155593 617951544 /nfs/dbraw/zinc/95/15/44/617951544.db2.gz XQYJLFOJIJALBM-MRXNPFEDSA-N 2 0 290.455 2.549 20 30 CFEDRP N#Cc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925604873 618292806 /nfs/dbraw/zinc/29/28/06/618292806.db2.gz AYRZKKVAAYSTOE-MSOLQXFVSA-N 2 0 283.419 2.816 20 30 CFEDRP CC1(C)[C@@H]([NH2+]CC2CCC(C#N)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925655644 618410966 /nfs/dbraw/zinc/41/09/66/618410966.db2.gz SXCMLSDWGADPRZ-NCOXYXGASA-N 2 0 275.440 2.683 20 30 CFEDRP C=C(C)CN1CCC([NH2+]Cc2cn3ccnc3s2)CC1 ZINC000892881443 618762454 /nfs/dbraw/zinc/76/24/54/618762454.db2.gz WMMDBFGXSHAAPC-UHFFFAOYSA-N 2 0 290.436 2.526 20 30 CFEDRP C=C(C)CN1CCC([NH2+]Cc2cnc(F)c(C)c2)CC1 ZINC000892880743 618762604 /nfs/dbraw/zinc/76/26/04/618762604.db2.gz HWIFCCYPWLYVNT-UHFFFAOYSA-N 2 0 277.387 2.659 20 30 CFEDRP C#CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccc1 ZINC000893235732 618898676 /nfs/dbraw/zinc/89/86/76/618898676.db2.gz APCGYJCMIXGACE-QGZVFWFLSA-N 2 0 256.393 2.682 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000178412716 618994857 /nfs/dbraw/zinc/99/48/57/618994857.db2.gz LOYVLLJEJUREGR-MRXNPFEDSA-N 2 0 286.419 2.835 20 30 CFEDRP CCc1ccc(NC(=[NH2+])NC[C@@H](CC)[NH+]2CCCC2)cc1 ZINC000104166853 619015587 /nfs/dbraw/zinc/01/55/87/619015587.db2.gz WGKMXTBQMWAGKK-MRXNPFEDSA-N 2 0 288.439 2.850 20 30 CFEDRP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1C#N ZINC000925841877 619175055 /nfs/dbraw/zinc/17/50/55/619175055.db2.gz UIZBQVWZCZWWDH-HOTGVXAUSA-N 2 0 271.408 2.862 20 30 CFEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000303977749 619982759 /nfs/dbraw/zinc/98/27/59/619982759.db2.gz LQLXNDOKRYGKSP-AWEZNQCLSA-N 2 0 276.428 2.760 20 30 CFEDRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1C#N ZINC000926961462 620432429 /nfs/dbraw/zinc/43/24/29/620432429.db2.gz JJGFDAXYQJQYQZ-KURKYZTESA-N 2 0 283.419 2.829 20 30 CFEDRP C=CCC[C@@H]([NH2+]CCn1ccnc1)[C@]1(C)CCCCO1 ZINC000902724971 621158243 /nfs/dbraw/zinc/15/82/43/621158243.db2.gz NBDVRTYVKKYNEX-CVEARBPZSA-N 2 0 277.412 2.767 20 30 CFEDRP CC[C@H]([NH2+]CCC[N@H+](C)CCOC)c1cccc(C#N)c1 ZINC000902745496 621163678 /nfs/dbraw/zinc/16/36/78/621163678.db2.gz PCUVWNCZANIVAO-KRWDZBQOSA-N 2 0 289.423 2.567 20 30 CFEDRP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000902797446 621180096 /nfs/dbraw/zinc/18/00/96/621180096.db2.gz WDIUZJLVBQPHQU-WBVHZDCISA-N 2 0 271.408 2.941 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH+]1CCC(CC[NH3+])CC1 ZINC000903460851 621381322 /nfs/dbraw/zinc/38/13/22/621381322.db2.gz KAHWKANBZIQOQV-UHFFFAOYSA-N 2 0 271.408 2.736 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000903447547 621385132 /nfs/dbraw/zinc/38/51/32/621385132.db2.gz XDALDBYOVGLFEP-JQHSSLGASA-N 2 0 283.419 2.734 20 30 CFEDRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCCCC1(C#N)CCC1 ZINC000903753516 621432946 /nfs/dbraw/zinc/43/29/46/621432946.db2.gz VNQDYRVGXPVZJZ-AWEZNQCLSA-N 2 0 263.429 2.828 20 30 CFEDRP C[C@@H]1CC[N@H+](CCCCC2(C#N)CCC2)C[C@H]1C[NH3+] ZINC000903757362 621438615 /nfs/dbraw/zinc/43/86/15/621438615.db2.gz CTIJXGJACZVUCV-HUUCEWRRSA-N 2 0 263.429 2.767 20 30 CFEDRP C[C@H]1C[N@H+](CCCCC2(C#N)CCC2)CC[C@@H]1C[NH3+] ZINC000903788969 621442330 /nfs/dbraw/zinc/44/23/30/621442330.db2.gz SFFSZMMNJJZIAZ-LSDHHAIUSA-N 2 0 263.429 2.767 20 30 CFEDRP N#Cc1cccc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000903959401 621479798 /nfs/dbraw/zinc/47/97/98/621479798.db2.gz HKKKLMWNAGCCIU-QGZVFWFLSA-N 2 0 269.392 2.524 20 30 CFEDRP C=C(CC[NH+](C)C)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000909927044 622371273 /nfs/dbraw/zinc/37/12/73/622371273.db2.gz LBOHRZSYZADCLN-UHFFFAOYSA-N 2 0 289.423 2.503 20 30 CFEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000911821387 622555786 /nfs/dbraw/zinc/55/57/86/622555786.db2.gz IMOORXUBCHVBMS-XHSDSOJGSA-N 2 0 297.487 2.650 20 30 CFEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000911821385 622555919 /nfs/dbraw/zinc/55/59/19/622555919.db2.gz IMOORXUBCHVBMS-PMPSAXMXSA-N 2 0 297.487 2.650 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000921552973 625985596 /nfs/dbraw/zinc/98/55/96/625985596.db2.gz OWTYNVSMOYNOJD-AWEZNQCLSA-N 2 0 285.435 2.997 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1CCc2nccn2C1 ZINC000922026166 626198035 /nfs/dbraw/zinc/19/80/35/626198035.db2.gz QRLJOOKOEBODTH-OAHLLOKOSA-N 2 0 294.402 2.724 20 30 CFEDRP CC1([NH+]2CCC2)CCC([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000922847546 626379950 /nfs/dbraw/zinc/37/99/50/626379950.db2.gz UDABOAKBLCCPJS-UHFFFAOYSA-N 2 0 273.380 2.648 20 30 CFEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000923424630 626471757 /nfs/dbraw/zinc/47/17/57/626471757.db2.gz HKLFKEJEZYPWKK-NJAFHUGGSA-N 2 0 294.483 2.933 20 30 CFEDRP CCCCCCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923457214 626473720 /nfs/dbraw/zinc/47/37/20/626473720.db2.gz HMKGIDBCKQRIKS-OAHLLOKOSA-N 2 0 268.445 2.787 20 30 CFEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923491927 626476740 /nfs/dbraw/zinc/47/67/40/626476740.db2.gz KQTPQGLGTGNSQC-HOCLYGCPSA-N 2 0 271.408 2.592 20 30 CFEDRP C#CCCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000766905357 627226152 /nfs/dbraw/zinc/22/61/52/627226152.db2.gz GZIOLTBPRCERNO-SJORKVTESA-N 2 0 262.441 2.986 20 30 CFEDRP C#CCCC[N@@H+](C)[C@@H]1CCC[NH+](CCCC#C)CC1 ZINC000766935863 627227994 /nfs/dbraw/zinc/22/79/94/627227994.db2.gz QWRYRPOCJNVGIM-QGZVFWFLSA-N 2 0 260.425 2.600 20 30 CFEDRP C#CC[N@@H+](CC)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000769111533 627403452 /nfs/dbraw/zinc/40/34/52/627403452.db2.gz QOQHLVWQKYCEHD-UHFFFAOYSA-N 2 0 286.419 2.616 20 30 CFEDRP C[N@H+](Cc1ccccc1)C1CCC(=[NH+]n2cnnc2)CC1 ZINC000797784808 630103364 /nfs/dbraw/zinc/10/33/64/630103364.db2.gz JITHDAOPQOCQNG-UHFFFAOYSA-N 2 0 283.379 2.557 20 30 CFEDRP C[C@@H](C#N)OCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000801915624 630486528 /nfs/dbraw/zinc/48/65/28/630486528.db2.gz SXUDUWKXSOVOFS-INIZCTEOSA-N 2 0 293.455 2.503 20 30 CFEDRP C#Cc1ccc(C[NH2+]CC2CC[NH+](CCC)CC2)cc1 ZINC000809615720 631247052 /nfs/dbraw/zinc/24/70/52/631247052.db2.gz CCLLTUCRDDUREW-UHFFFAOYSA-N 2 0 270.420 2.880 20 30 CFEDRP C=CCCCCCCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000817931487 632739567 /nfs/dbraw/zinc/73/95/67/632739567.db2.gz KOTQSXORWYYDIF-BZUAXINKSA-N 2 0 268.445 2.855 20 30 CFEDRP C=CCCCCCCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000817931488 632740142 /nfs/dbraw/zinc/74/01/42/632740142.db2.gz KOTQSXORWYYDIF-HRCADAONSA-N 2 0 268.445 2.855 20 30 CFEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000817984975 632781100 /nfs/dbraw/zinc/78/11/00/632781100.db2.gz DJKGTWADNBCFJC-OAHLLOKOSA-N 2 0 284.403 2.659 20 30 CFEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000848720593 633324515 /nfs/dbraw/zinc/32/45/15/633324515.db2.gz ZUAKOBFBVQWOGH-HRCADAONSA-N 2 0 287.407 2.727 20 30 CFEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000848720594 633324612 /nfs/dbraw/zinc/32/46/12/633324612.db2.gz ZUAKOBFBVQWOGH-OWCLPIDISA-N 2 0 287.407 2.727 20 30 CFEDRP CCCCCCCCNC(=[NH2+])NCC1([NH+](C)C)CCC1 ZINC000849108565 633487324 /nfs/dbraw/zinc/48/73/24/633487324.db2.gz RHIAYQCKGPKPNQ-UHFFFAOYSA-N 2 0 282.476 2.945 20 30 CFEDRP C#CC[C@H](COC)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000862548625 637420973 /nfs/dbraw/zinc/42/09/73/637420973.db2.gz JLPBDJHXHPFQAL-KBAYOESNSA-N 2 0 292.467 2.657 20 30 CFEDRP N#CCc1cccc2c1CC[N@@H+](CCCCCC[NH3+])C2 ZINC000863570816 637698320 /nfs/dbraw/zinc/69/83/20/637698320.db2.gz KURAQBPGTGMQKL-UHFFFAOYSA-N 2 0 271.408 2.630 20 30 CFEDRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(C#N)c1[O-] ZINC000866381777 638809930 /nfs/dbraw/zinc/80/99/30/638809930.db2.gz OIIZLAXJQODKDZ-AWEZNQCLSA-N 2 0 289.423 2.892 20 30 CFEDRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000866617643 638855716 /nfs/dbraw/zinc/85/57/16/638855716.db2.gz MZABOUKNMCJORJ-GOSISDBHSA-N 2 0 297.446 2.878 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000873241069 642091113 /nfs/dbraw/zinc/09/11/13/642091113.db2.gz UDNCXUMNZDIMQQ-ZOBUZTSGSA-N 2 0 286.419 2.867 20 30 CFEDRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(OCC#N)cc1 ZINC000873269841 642111885 /nfs/dbraw/zinc/11/18/85/642111885.db2.gz UWGFSPKBEXJMPG-ZIAGYGMSSA-N 2 0 287.407 2.628 20 30 CFEDRP C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000873272634 642113503 /nfs/dbraw/zinc/11/35/03/642113503.db2.gz VULDPAPSOQGKJU-GJZGRUSLSA-N 2 0 286.419 2.737 20 30 CFEDRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000877698696 643460941 /nfs/dbraw/zinc/46/09/41/643460941.db2.gz ZWFNNAACKVHZSN-UHFFFAOYSA-N 2 0 286.423 2.553 20 30 CFEDRP C#CCCCCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000878155644 643765084 /nfs/dbraw/zinc/76/50/84/643765084.db2.gz RAOXKVUDXODFJT-UHFFFAOYSA-N 2 0 292.467 2.757 20 30 CFEDRP CCC(CC)[C@@H](CNC(=[NH2+])N(CC)CC)[NH+]1CCCC1 ZINC000303772283 651000938 /nfs/dbraw/zinc/00/09/38/651000938.db2.gz DLPYFNZRGRABPN-OAHLLOKOSA-N 2 0 282.476 2.544 20 30 CFEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NCC(C)(C)C[NH+](C)C ZINC000303721768 650999750 /nfs/dbraw/zinc/99/97/50/650999750.db2.gz XQBJFQNHZGWGJB-AWEZNQCLSA-N 2 0 284.492 2.693 20 30 CFEDRP CCC(CC)[C@@H](CNC(=[NH2+])N1CCCCC1)[NH+]1CCCC1 ZINC000303771563 651001110 /nfs/dbraw/zinc/00/11/10/651001110.db2.gz CRWOVTGVWVIVET-MRXNPFEDSA-N 2 0 294.487 2.688 20 30 CFEDRP CCCCCCCCNC(=[NH2+])NCC(C)(C)[NH+](C)C ZINC000303776874 651001449 /nfs/dbraw/zinc/00/14/49/651001449.db2.gz IAVVCYFRRJAQAO-UHFFFAOYSA-N 2 0 270.465 2.591 20 30 CFEDRP Cc1cccc(NC(=[NH2+])NC[C@@H](CC(C)C)[NH+](C)C)c1 ZINC000303793807 651003427 /nfs/dbraw/zinc/00/34/27/651003427.db2.gz ZVVGZWQONJBZOI-OAHLLOKOSA-N 2 0 276.428 2.698 20 30 CFEDRP C[NH+](C)[C@@H](CNC(=[NH2+])NC1CCCCC1)C1CCCCC1 ZINC000303889540 651006225 /nfs/dbraw/zinc/00/62/25/651006225.db2.gz LZVPRDNHGISTBV-INIZCTEOSA-N 2 0 294.487 2.734 20 30 CFEDRP CCCCNC(=[NH2+])NCc1cccc(C[NH+](CC)CC)c1 ZINC000303884768 651006540 /nfs/dbraw/zinc/00/65/40/651006540.db2.gz JHSPRTOEKYOKTM-UHFFFAOYSA-N 2 0 290.455 2.733 20 30 CFEDRP CC(C)(C)NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000304743780 651031154 /nfs/dbraw/zinc/03/11/54/651031154.db2.gz DHAALZXNHNDOLV-OAHLLOKOSA-N 2 0 294.487 2.734 20 30 CFEDRP CC(C)[N@H+](C)CCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000304647152 651029069 /nfs/dbraw/zinc/02/90/69/651029069.db2.gz FLBDHSNAMDFKDZ-UHFFFAOYSA-N 2 0 288.439 2.632 20 30 CFEDRP CC(C)(C)[NH2+]CCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000304754644 651032233 /nfs/dbraw/zinc/03/22/33/651032233.db2.gz LZTLPKXLIRJQKO-UHFFFAOYSA-N 2 0 288.439 2.680 20 30 CFEDRP CCc1ccc(NC(=[NH2+])NC[C@H]2CCCC[N@H+]2CC)cc1 ZINC000304759985 651032762 /nfs/dbraw/zinc/03/27/62/651032762.db2.gz RTRLRKOSTRRCMH-MRXNPFEDSA-N 2 0 288.439 2.850 20 30 CFEDRP C=CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCCO1 ZINC000883226986 645677137 /nfs/dbraw/zinc/67/71/37/645677137.db2.gz JGBZQRXWZVDPPH-QHEDDYRISA-N 2 0 278.440 2.715 20 30 CFEDRP C=CCC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@@H]1CCCO1 ZINC000883239087 645687246 /nfs/dbraw/zinc/68/72/46/645687246.db2.gz VWPDAMBKYHTUGR-ULQDDVLXSA-N 2 0 280.456 2.822 20 30 CFEDRP C[C@H]1CCCN(C(=[NH2+])NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000104169789 647553534 /nfs/dbraw/zinc/55/35/34/647553534.db2.gz IRWKDGOFYUBFIH-HOTGVXAUSA-N 2 0 294.487 2.688 20 30 CFEDRP CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000925620724 648244026 /nfs/dbraw/zinc/24/40/26/648244026.db2.gz XWHCXLVKASUQIV-DOTOQJQBSA-N 2 0 299.418 2.742 20 30 CFEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925654237 648264430 /nfs/dbraw/zinc/26/44/30/648264430.db2.gz FFTGCQFJPZFKCI-OWSLCNJRSA-N 2 0 292.467 2.726 20 30 CFEDRP N#Cc1ccc(C2([NH2+][C@@H]3C[C@H]([NH3+])C34CCC4)CCC2)cc1 ZINC000925710028 648290354 /nfs/dbraw/zinc/29/03/54/648290354.db2.gz BEHBXVOMIJQACQ-JKSUJKDBSA-N 2 0 281.403 2.797 20 30 CFEDRP CC1(C)C[C@@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)C[C@@H]([NH3+])C1 ZINC000925728632 648299960 /nfs/dbraw/zinc/29/99/60/648299960.db2.gz MFILGFGISNGTCN-ZACQAIPSSA-N 2 0 283.419 2.521 20 30 CFEDRP C=CC[C@H](C)[C@H](C)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925751998 648307653 /nfs/dbraw/zinc/30/76/53/648307653.db2.gz SUWQROPNJSVDJU-QWRGUYRKSA-N 2 0 265.426 2.561 20 30 CFEDRP CCC1([NH3+])CC[NH+]([C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000925760828 648311887 /nfs/dbraw/zinc/31/18/87/648311887.db2.gz SSILLYJOTZSHRS-MRXNPFEDSA-N 2 0 269.392 2.749 20 30 CFEDRP CSc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1C#N ZINC000925774269 648316863 /nfs/dbraw/zinc/31/68/63/648316863.db2.gz TYTMRMVOOCMNKB-AWEZNQCLSA-N 2 0 275.421 2.512 20 30 CFEDRP C=CCCCC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925779309 648319844 /nfs/dbraw/zinc/31/98/44/648319844.db2.gz WWQRRCDKGQVBNC-CHWSQXEVSA-N 2 0 260.372 2.956 20 30 CFEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926610373 648550156 /nfs/dbraw/zinc/55/01/56/648550156.db2.gz CTKGIANFUHEVMD-WBAXXEDZSA-N 2 0 288.435 2.990 20 30 CFEDRP C=C1CCC(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000926924843 648661082 /nfs/dbraw/zinc/66/10/82/648661082.db2.gz DTECSTNIGGJJEY-GOSISDBHSA-N 2 0 292.467 2.966 20 30 CFEDRP CCCCCCNC(=[NH2+])NCC1(C[NH+](C)C)CCCC1 ZINC000305832132 651084524 /nfs/dbraw/zinc/08/45/24/651084524.db2.gz USZIAJMBYLNYRF-UHFFFAOYSA-N 2 0 282.476 2.593 20 30 CFEDRP CC(C)[NH+]1CCC([NH2+][C@@H](C)CC(C)(C)C#N)CC1 ZINC000695856813 776064585 /nfs/dbraw/zinc/06/45/85/776064585.db2.gz AUMGQPKSZFBWAR-ZDUSSCGKSA-N 2 0 251.418 2.777 20 30 CFEDRP C[NH+](C)CC1CC[NH+](Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232120210 777447464 /nfs/dbraw/zinc/44/74/64/777447464.db2.gz OSMACIJTJXAAHA-UHFFFAOYSA-N 2 0 291.826 2.985 20 30 CFEDRP CCCCCCCC[N@@H+]1CCC[C@]2(CNCCO2)C1 ZINC001235113601 778386097 /nfs/dbraw/zinc/38/60/97/778386097.db2.gz FFRQSKPFOFHNTG-INIZCTEOSA-N 2 0 268.445 2.801 20 30 CFEDRP N#Cc1ccccc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235227167 778421931 /nfs/dbraw/zinc/42/19/31/778421931.db2.gz DCZRPMUHNVSEAL-GOSISDBHSA-N 2 0 283.419 2.912 20 30 CFEDRP N#CCCC[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc[nH]3)(C1)CCC2 ZINC001277942761 778475816 /nfs/dbraw/zinc/47/58/16/778475816.db2.gz CEQPYEHJUWQASC-DLBZAZTESA-N 2 0 286.423 2.843 20 30 CFEDRP N#Cc1ccc(CC2CC[NH+](CCCC[NH3+])CC2)cc1 ZINC001235789188 778559299 /nfs/dbraw/zinc/55/92/99/778559299.db2.gz MTAMTAVALSBOHV-UHFFFAOYSA-N 2 0 271.408 2.552 20 30 CFEDRP C=C(C)COc1ccccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235943920 778620419 /nfs/dbraw/zinc/62/04/19/778620419.db2.gz ZYIPCWYSHULRPW-RDJZCZTQSA-N 2 0 286.419 2.683 20 30 CFEDRP C=CCOc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236322175 778779585 /nfs/dbraw/zinc/77/95/85/778779585.db2.gz RXCXPYZZFFXNCR-CALCHBBNSA-N 2 0 286.419 2.683 20 30 CFEDRP Cn1ccc2c1cc[nH+]c2-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240337562 780092378 /nfs/dbraw/zinc/09/23/78/780092378.db2.gz MVHBVZZGFVVZEN-UHFFFAOYSA-N 2 0 288.354 2.799 20 30 CFEDRP C[C@H](CC(C)(C)C#N)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000709975423 781324641 /nfs/dbraw/zinc/32/46/41/781324641.db2.gz JRPKQOPWBDQMJA-CYBMUJFWSA-N 2 0 251.418 2.636 20 30 CFEDRP N#CC1CCC(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000594938881 349519121 /nfs/dbraw/zinc/51/91/21/349519121.db2.gz XAVVCUMMZPHILO-UHFFFAOYSA-N 2 0 295.390 2.687 20 30 CFEDRP CC(C)(C)N1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000594956555 349528208 /nfs/dbraw/zinc/52/82/08/349528208.db2.gz LHWZJMOVNVCYKM-NPCAHTBFSA-N 2 0 263.429 2.921 20 30 CFEDRP CC(C)(C)N1CC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000594956527 349528360 /nfs/dbraw/zinc/52/83/60/349528360.db2.gz KVKOCMHMPSDTGC-ZDUSSCGKSA-N 2 0 251.418 2.779 20 30 CFEDRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCc2ccc(C#N)cc2)C1 ZINC000595334721 349604353 /nfs/dbraw/zinc/60/43/53/349604353.db2.gz ZYCKIOAVGZSXGA-LJQANCHMSA-N 2 0 297.446 2.764 20 30 CFEDRP C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(C#N)c1)C2 ZINC000595505290 349644140 /nfs/dbraw/zinc/64/41/40/349644140.db2.gz RMGSGSFUUFYDLS-QGZVFWFLSA-N 2 0 287.382 2.615 20 30 CFEDRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCCC(C)(C)C#N)C2 ZINC000595506636 349645689 /nfs/dbraw/zinc/64/56/89/349645689.db2.gz FBRUCSFXQPTRRO-MRXNPFEDSA-N 2 0 263.429 2.734 20 30 CFEDRP CN(Cc1ccc(C#N)cc1C(F)(F)F)C1(C[NH3+])CCC1 ZINC000595894986 349762916 /nfs/dbraw/zinc/76/29/16/349762916.db2.gz ABJMBVINZPKDOQ-UHFFFAOYSA-N 2 0 297.324 2.890 20 30 CFEDRP N#Cc1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000596650041 349968942 /nfs/dbraw/zinc/96/89/42/349968942.db2.gz HWCCIDBSERFAFB-ROUUACIJSA-N 2 0 277.371 2.835 20 30 CFEDRP C#CCC[NH+]1CCN(c2cc(C)[nH+]c3ccc(F)cc32)CC1 ZINC000091480355 347589051 /nfs/dbraw/zinc/58/90/51/347589051.db2.gz OBMGQEALEPARFT-UHFFFAOYSA-N 2 0 297.377 2.828 20 30 CFEDRP Cc1cc(C#N)ccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000165459211 348039925 /nfs/dbraw/zinc/03/99/25/348039925.db2.gz PVCGYWUIQQAOAX-UHFFFAOYSA-N 2 0 271.408 2.640 20 30 CFEDRP C=CCCCCC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000193349672 348142249 /nfs/dbraw/zinc/14/22/49/348142249.db2.gz PYBOAGQEJFRBIM-UHFFFAOYSA-N 2 0 268.445 2.511 20 30 CFEDRP COc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])ccc1C#N ZINC000404374593 348591456 /nfs/dbraw/zinc/59/14/56/348591456.db2.gz KGUHUHWIGCADCF-CZUORRHYSA-N 2 0 287.407 2.516 20 30 CFEDRP C[C@H](CCC#N)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000590593795 348912333 /nfs/dbraw/zinc/91/23/33/348912333.db2.gz ISHSZTDWZBIONU-MRXNPFEDSA-N 2 0 293.455 2.503 20 30 CFEDRP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(C#N)cc1 ZINC000591582589 349032434 /nfs/dbraw/zinc/03/24/34/349032434.db2.gz MUURPMRWTFMCQF-CZUORRHYSA-N 2 0 269.392 2.884 20 30 CFEDRP Cc1ccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1C#N ZINC000600706378 350598054 /nfs/dbraw/zinc/59/80/54/350598054.db2.gz VKKDDLOOOQLLRA-MRXNPFEDSA-N 2 0 259.397 2.672 20 30 CFEDRP Cc1ccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1C#N ZINC000600706375 350598356 /nfs/dbraw/zinc/59/83/56/350598356.db2.gz VKKDDLOOOQLLRA-INIZCTEOSA-N 2 0 259.397 2.672 20 30 CFEDRP Cc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1C#N ZINC000600709445 350599367 /nfs/dbraw/zinc/59/93/67/350599367.db2.gz KBKHNVGXLKMTRM-OAHLLOKOSA-N 2 0 283.419 2.831 20 30 CFEDRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cccc(C#N)c1 ZINC000602020168 350833676 /nfs/dbraw/zinc/83/36/76/350833676.db2.gz JUSPTGCIDCBMCE-XJKCOSOUSA-N 2 0 257.381 2.726 20 30 CFEDRP N#C[C@H]1CCC[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000602020037 350833961 /nfs/dbraw/zinc/83/39/61/350833961.db2.gz IHEZAABELGFVAL-XJKSGUPXSA-N 2 0 269.392 2.504 20 30 CFEDRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(C#N)cc1F ZINC000602022780 350834088 /nfs/dbraw/zinc/83/40/88/350834088.db2.gz VHHLVORPESZBAZ-YRGRVCCFSA-N 2 0 275.371 2.865 20 30 CFEDRP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cccc(C#N)c1 ZINC000602022875 350834771 /nfs/dbraw/zinc/83/47/71/350834771.db2.gz WNLWWKHNOFMEGV-CZUORRHYSA-N 2 0 271.408 2.987 20 30 CFEDRP C[C@@H](CCC#N)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000602479136 350899912 /nfs/dbraw/zinc/89/99/12/350899912.db2.gz FVTAIPVPLITWLJ-GOEBONIOSA-N 2 0 263.429 2.590 20 30 CFEDRP C[C@H](CCC#N)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000602481860 350900982 /nfs/dbraw/zinc/90/09/82/350900982.db2.gz BHZCFLXJFFGLHA-INMHGKMJSA-N 2 0 275.440 2.875 20 30 CFEDRP CCCC[NH+]1CCC([NH2+]C[C@H](C)CCC#N)CC1 ZINC000602537085 350917637 /nfs/dbraw/zinc/91/76/37/350917637.db2.gz YRDJHVUUCCQEEA-CQSZACIVSA-N 2 0 251.418 2.780 20 30 CFEDRP CC[N@H+](CCC[NH+]1CCCC1)C[C@@H](C)CCC#N ZINC000602664373 350967185 /nfs/dbraw/zinc/96/71/85/350967185.db2.gz VVINZKGFORVTNR-HNNXBMFYSA-N 2 0 251.418 2.734 20 30 CFEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000602704918 350989241 /nfs/dbraw/zinc/98/92/41/350989241.db2.gz HXKRCRAKXONAIM-LSDHHAIUSA-N 2 0 293.455 2.548 20 30 CFEDRP C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)C1CC[NH+](C)CC1 ZINC000611476169 351695971 /nfs/dbraw/zinc/69/59/71/351695971.db2.gz QKLBMCWTXYZKHL-AWEZNQCLSA-N 2 0 283.419 2.867 20 30 CFEDRP C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)C1CC[NH+](C)CC1 ZINC000618807175 352884224 /nfs/dbraw/zinc/88/42/24/352884224.db2.gz SZCYIMTWSNPZRR-ACJLOTCBSA-N 2 0 283.419 2.865 20 30 CFEDRP C#CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000271733295 191297286 /nfs/dbraw/zinc/29/72/86/191297286.db2.gz STLNQNKGQIYHMC-DLBZAZTESA-N 2 0 256.393 2.825 20 30 CFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CC2 ZINC000423470367 283198247 /nfs/dbraw/zinc/19/82/47/283198247.db2.gz DHJAULCTKRZFJF-DOTOQJQBSA-N 2 0 269.392 2.667 20 30 CFEDRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc(C#N)cc1F ZINC000423278729 238338679 /nfs/dbraw/zinc/33/86/79/238338679.db2.gz QMQLUNUYADFRGI-GHJWDPDVSA-N 2 0 275.371 2.865 20 30 CFEDRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1cccc(C#N)c1 ZINC000423270547 299366775 /nfs/dbraw/zinc/36/67/75/299366775.db2.gz GQVDZMJVMUYSGZ-APHBMKBZSA-N 2 0 257.381 2.726 20 30 CFEDRP C#CCC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000276302022 193277865 /nfs/dbraw/zinc/27/78/65/193277865.db2.gz XDEJMGXBYFZSJI-HZPDHXFCSA-N 2 0 270.420 2.756 20 30 CFEDRP CC(C)CNC(=[NH2+])NCc1ccccc1C[N@H+](C)C(C)C ZINC000264079300 383693311 /nfs/dbraw/zinc/69/33/11/383693311.db2.gz IDOBLOSYWUXHNF-UHFFFAOYSA-N 2 0 290.455 2.587 20 30 CFEDRP CC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000264110309 383696948 /nfs/dbraw/zinc/69/69/48/383696948.db2.gz OPFSVJHNEDZOGK-GDBMZVCRSA-N 2 0 288.439 2.526 20 30 CFEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000264115522 383698327 /nfs/dbraw/zinc/69/83/27/383698327.db2.gz SLDHJLWKPXXUNU-HNNXBMFYSA-N 2 0 288.439 2.762 20 30 CFEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=[NH2+])Nc2ccccc2)C1 ZINC000264133372 383698941 /nfs/dbraw/zinc/69/89/41/383698941.db2.gz YTGXACYYJKSJBL-HUUCEWRRSA-N 2 0 288.439 2.781 20 30 CFEDRP C[N@@H+]1CCC[C@@H]2C[NH+](CC(C)(C)CCC#N)CC[C@@H]21 ZINC000092043731 375083725 /nfs/dbraw/zinc/08/37/25/375083725.db2.gz YBOOYAPTXKSVGM-CABCVRRESA-N 2 0 263.429 2.732 20 30 CFEDRP CCN(CC)C(=[NH2+])NCc1ccccc1C[N@H+](C)C(C)C ZINC000104162927 375772094 /nfs/dbraw/zinc/77/20/94/375772094.db2.gz HSWSURODOOVYHD-UHFFFAOYSA-N 2 0 290.455 2.683 20 30 CFEDRP C=CCC[C@H](O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121852602 376919802 /nfs/dbraw/zinc/91/98/02/376919802.db2.gz ZKGIBDOQDJWQKK-SFHVURJKSA-N 2 0 294.483 2.902 20 30 CFEDRP C=CCC[C@@H](CCC)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128683429 377353741 /nfs/dbraw/zinc/35/37/41/377353741.db2.gz MSJABVOWJMUZCA-QGZVFWFLSA-N 2 0 281.488 2.739 20 30 CFEDRP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135227950 378100786 /nfs/dbraw/zinc/10/07/86/378100786.db2.gz BHFVBLQORRZVSV-OAHLLOKOSA-N 2 0 285.435 2.871 20 30 CFEDRP N#CC1CCC(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000334384816 379201480 /nfs/dbraw/zinc/20/14/80/379201480.db2.gz MGBJFBDYWYEQOO-QDIHITRGSA-N 2 0 261.413 2.533 20 30 CFEDRP Cc1cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)ccc1C#N ZINC000335674227 379700137 /nfs/dbraw/zinc/70/01/37/379700137.db2.gz XHIIGHPTOWMGOA-RHSMWYFYSA-N 2 0 271.408 2.639 20 30 CFEDRP Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1C#N ZINC000335710295 379763288 /nfs/dbraw/zinc/76/32/88/379763288.db2.gz ZJJGIUAFGLVMBG-AYHJJNSGSA-N 2 0 283.419 2.972 20 30 CFEDRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000181875170 380924411 /nfs/dbraw/zinc/92/44/11/380924411.db2.gz RSZVKTJLMZENIT-YOEHRIQHSA-N 2 0 289.423 2.566 20 30 CFEDRP C#CCCC[NH+]1CCCC2(CCC[N@@H+](CCCC#C)C2)C1 ZINC000368239828 380967369 /nfs/dbraw/zinc/96/73/69/380967369.db2.gz HOGUCRMBFIHDTD-UHFFFAOYSA-N 2 0 286.463 2.991 20 30 CFEDRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C#N)c1 ZINC000295804698 381086403 /nfs/dbraw/zinc/08/64/03/381086403.db2.gz AMBCELBORDFNFU-FCLXEUQJSA-N 2 0 269.392 2.834 20 30 CFEDRP C=CCCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297334847 381556355 /nfs/dbraw/zinc/55/63/55/381556355.db2.gz DCXMQFIVDVJVKA-UHFFFAOYSA-N 2 0 259.397 2.996 20 30 CFEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CC#N)[C@H](C)C1 ZINC000414166333 381565301 /nfs/dbraw/zinc/56/53/01/381565301.db2.gz NIMODUFEMVQVBQ-HZPDHXFCSA-N 2 0 295.471 2.653 20 30 CFEDRP C[C@H]([NH2+]CCCCC#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185693235 381706221 /nfs/dbraw/zinc/70/62/21/381706221.db2.gz KEHDVHJKEILOFK-GJZGRUSLSA-N 2 0 263.429 2.923 20 30 CFEDRP N#C[C@H]1CCC[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000185878215 381765455 /nfs/dbraw/zinc/76/54/55/381765455.db2.gz PSCMXHACEFEDDX-DLBZAZTESA-N 2 0 298.434 2.970 20 30 CFEDRP C=CCOc1cccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292762722 381825617 /nfs/dbraw/zinc/82/56/17/381825617.db2.gz JPEQCHHAXJBQPU-SFHVURJKSA-N 2 0 286.419 2.779 20 30 CFEDRP C=CC[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000349755430 381986415 /nfs/dbraw/zinc/98/64/15/381986415.db2.gz GCWSGCJGQZRREU-USXIJHARSA-N 2 0 280.456 2.556 20 30 CFEDRP C=CC[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cccc([N+](=O)[O-])c1 ZINC000420311013 382360288 /nfs/dbraw/zinc/36/02/88/382360288.db2.gz VRWWVBMQQLEDIW-AWEZNQCLSA-N 2 0 289.379 2.582 20 30 CFEDRP C=CCCCCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000365835529 382452439 /nfs/dbraw/zinc/45/24/39/382452439.db2.gz GGKBDKLKVVMQAY-GVDBMIGSSA-N 2 0 280.456 2.916 20 30 CFEDRP C=CCCCCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000365835530 382452925 /nfs/dbraw/zinc/45/29/25/382452925.db2.gz GGKBDKLKVVMQAY-IXDOHACOSA-N 2 0 280.456 2.916 20 30 CFEDRP N#CCCNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000309987326 382492686 /nfs/dbraw/zinc/49/26/86/382492686.db2.gz YGSXUTXKKKZPST-QGZVFWFLSA-N 2 0 271.408 2.792 20 30 CFEDRP C=CCOc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000346691423 382474584 /nfs/dbraw/zinc/47/45/84/382474584.db2.gz VPNDUXMBANCXSY-UHFFFAOYSA-N 2 0 262.397 2.668 20 30 CFEDRP C=C(CC)C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000346961986 382587960 /nfs/dbraw/zinc/58/79/60/382587960.db2.gz AIXCJUXAZWYTFB-NVXWUHKLSA-N 2 0 273.424 2.848 20 30 CFEDRP C[N@@H+]1CCC[C@H]2C[NH+](CCCC(C)(C)C#N)CC[C@@H]21 ZINC000220901491 382796848 /nfs/dbraw/zinc/79/68/48/382796848.db2.gz NAQZFKGWUPJCSV-GJZGRUSLSA-N 2 0 263.429 2.732 20 30 CFEDRP C[N@H+](CCC[NH2+][C@@H]1CC[C@H](C#N)C1)Cc1ccccc1 ZINC000442635614 382940003 /nfs/dbraw/zinc/94/00/03/382940003.db2.gz KCSPZMSUFRVBED-DLBZAZTESA-N 2 0 271.408 2.790 20 30 CFEDRP CC(C)CN1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442846235 382960036 /nfs/dbraw/zinc/96/00/36/382960036.db2.gz JFPFZSJFFWJXCT-BZUAXINKSA-N 2 0 263.429 2.779 20 30 CFEDRP C[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)C1C[NH2+]C1 ZINC000423017695 383013552 /nfs/dbraw/zinc/01/35/52/383013552.db2.gz PKDJMLLWJFJVIN-CQSZACIVSA-N 2 0 291.398 2.923 20 30 CFEDRP CC[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000423450370 383100811 /nfs/dbraw/zinc/10/08/11/383100811.db2.gz XHBAPWMQHHUEKH-RCCFBDPRSA-N 2 0 283.419 2.987 20 30 CFEDRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(C#N)c1 ZINC000423460381 383103792 /nfs/dbraw/zinc/10/37/92/383103792.db2.gz AVXJOHVZXLSUOD-JGGQBBKZSA-N 2 0 257.381 2.726 20 30 CFEDRP C=CC[NH+](CC=C)[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000246883143 383117010 /nfs/dbraw/zinc/11/70/10/383117010.db2.gz FBSJWBYALGGIEI-OKZBNKHCSA-N 2 0 293.499 2.757 20 30 CFEDRP CC1(C#N)CCC([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000449066732 383158793 /nfs/dbraw/zinc/15/87/93/383158793.db2.gz FEASJGCPKZMAGX-UHFFFAOYSA-N 2 0 263.429 2.924 20 30 CFEDRP C=CC[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000248531793 383254454 /nfs/dbraw/zinc/25/44/54/383254454.db2.gz YDYCUYDWYOIPJF-DJIMGWMZSA-N 2 0 280.456 2.556 20 30 CFEDRP C[C@@H]1CC[N@H+](CC#Cc2ccccc2)C[C@H]1n1ccnc1 ZINC000248832967 383295936 /nfs/dbraw/zinc/29/59/36/383295936.db2.gz ITWXGVFCVZMEHG-SJLPKXTDSA-N 2 0 279.387 2.818 20 30 CFEDRP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(CC#N)cc2)CC1 ZINC000429533410 383540030 /nfs/dbraw/zinc/54/00/30/383540030.db2.gz BILPCWIFOHHOBZ-QGZVFWFLSA-N 2 0 271.408 2.669 20 30 CFEDRP C=C(CC)C[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000434739694 383771482 /nfs/dbraw/zinc/77/14/82/383771482.db2.gz WVMBSLPIJAGONG-IRXDYDNUSA-N 2 0 273.424 2.972 20 30 CFEDRP C#Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000289231436 197269799 /nfs/dbraw/zinc/26/97/99/197269799.db2.gz KFSBKEVOZYYROR-MSOLQXFVSA-N 2 0 268.404 2.584 20 30 CFEDRP C#Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000289231441 197269841 /nfs/dbraw/zinc/26/98/41/197269841.db2.gz KFSBKEVOZYYROR-ROUUACIJSA-N 2 0 268.404 2.584 20 30 CFEDRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)CC1 ZINC000270417894 385095730 /nfs/dbraw/zinc/09/57/30/385095730.db2.gz FUPUTHSBLCUKTN-GOSISDBHSA-N 2 0 283.419 2.722 20 30 CFEDRP C=CCCC(C)(C)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639380720 385497542 /nfs/dbraw/zinc/49/75/42/385497542.db2.gz HHYWLIFOERNXHJ-UHFFFAOYSA-N 2 0 282.472 2.804 20 30 CFEDRP C=CCCCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684118 385659736 /nfs/dbraw/zinc/65/97/36/385659736.db2.gz RHASQRLBJDMPJN-UHFFFAOYSA-N 2 0 259.397 2.950 20 30 CFEDRP CCC#C[C@H](C)[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000682535774 542564516 /nfs/dbraw/zinc/56/45/16/542564516.db2.gz IPOQYZMCWCVUHV-IKGGRYGDSA-N 2 0 280.456 2.515 20 30 CFEDRP C=CC[N@@H+]1CCC[C@H]1c1ccc(C2=CC[NH2+]C2)cc1 ZINC001243114432 781995410 /nfs/dbraw/zinc/99/54/10/781995410.db2.gz CHKUMSIGBCPSOJ-KRWDZBQOSA-N 2 0 254.377 2.996 20 30 CFEDRP C=CCC[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000338540892 393789411 /nfs/dbraw/zinc/78/94/11/393789411.db2.gz PRMXVNGKYKWBBF-IRXDYDNUSA-N 2 0 256.393 2.626 20 30 CFEDRP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccc(C#N)cc1 ZINC000423374170 394279658 /nfs/dbraw/zinc/27/96/58/394279658.db2.gz HXGJMMAYQNEJPY-MAZHCROVSA-N 2 0 257.381 2.739 20 30 CFEDRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000423540908 394293747 /nfs/dbraw/zinc/29/37/47/394293747.db2.gz RBSWGOIJQZOZDD-LBPRGKRZSA-N 2 0 273.355 2.658 20 30 CFEDRP C#CC[N@H+](C)CCCN[C@@H](c1ccco1)c1ccccc1 ZINC000294976204 394295976 /nfs/dbraw/zinc/29/59/76/394295976.db2.gz KHNPSGICGACLSH-GOSISDBHSA-N 2 0 282.387 2.914 20 30 CFEDRP CC#CCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000155704619 394321675 /nfs/dbraw/zinc/32/16/75/394321675.db2.gz ZFTXDSYLCKJDJU-IRXDYDNUSA-N 2 0 262.441 2.986 20 30 CFEDRP CC#CCC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000155972097 394326555 /nfs/dbraw/zinc/32/65/55/394326555.db2.gz APLRBAQTZOZBCX-IAGOWNOFSA-N 2 0 292.467 2.611 20 30 CFEDRP CCC(CC)(CNC(=[NH2+])N(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000178574162 394389320 /nfs/dbraw/zinc/38/93/20/394389320.db2.gz SUUCMMGJUAAPCS-CQSZACIVSA-N 2 0 290.455 2.772 20 30 CFEDRP C[C@@H]([NH2+]C1(CNC(=[NH2+])N(C)C)CCCC1)c1ccccc1 ZINC000178572907 394389645 /nfs/dbraw/zinc/38/96/45/394389645.db2.gz AHZLJFNEXNIDSN-CQSZACIVSA-N 2 0 288.439 2.526 20 30 CFEDRP CC[NH+]1CCC(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000558503846 395063087 /nfs/dbraw/zinc/06/30/87/395063087.db2.gz FJMPUZMEXGLDFE-SFHVURJKSA-N 2 0 283.419 2.867 20 30 CFEDRP C=CCOc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000020129178 171016900 /nfs/dbraw/zinc/01/69/00/171016900.db2.gz YPWWYPYRXYVAKN-UHFFFAOYSA-N 2 0 274.408 2.827 20 30 CFEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](CC[NH+](C)C)OCC)C1 ZINC000651753092 413615086 /nfs/dbraw/zinc/61/50/86/413615086.db2.gz DEGITCVWFKSRIW-OAGGEKHMSA-N 2 0 268.445 2.678 20 30 CFEDRP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000657572634 413761522 /nfs/dbraw/zinc/76/15/22/413761522.db2.gz DJCCICOLGPFEOI-GVDBMIGSSA-N 2 0 281.488 2.593 20 30 CFEDRP C=CCC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000657583072 413767929 /nfs/dbraw/zinc/76/79/29/413767929.db2.gz XPFICYZSOXYGLP-UHFFFAOYSA-N 2 0 274.408 2.827 20 30 CFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000657835041 413986035 /nfs/dbraw/zinc/98/60/35/413986035.db2.gz RZOJPDFLYNUMTO-MSOLQXFVSA-N 2 0 293.499 2.739 20 30 CFEDRP C=CCC[C@@H](NC[C@@H](O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC000660199106 414679931 /nfs/dbraw/zinc/67/99/31/414679931.db2.gz CQEGUPXDJBVILU-QZTJIDSGSA-N 2 0 290.451 2.985 20 30 CFEDRP C=CCC[C@H](NC[C@H](O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC000660199110 414679978 /nfs/dbraw/zinc/67/99/78/414679978.db2.gz CQEGUPXDJBVILU-ROUUACIJSA-N 2 0 290.451 2.985 20 30 CFEDRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000044535004 175199127 /nfs/dbraw/zinc/19/91/27/175199127.db2.gz TZCCZCSSZDAOHU-UKRRQHHQSA-N 2 0 257.381 2.551 20 30 CFEDRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cccc(C#N)c2)c1 ZINC000046836840 175399641 /nfs/dbraw/zinc/39/96/41/175399641.db2.gz UODWTABHWSOJIH-UHFFFAOYSA-N 2 0 279.387 2.910 20 30 CFEDRP C[C@H](NCC1(C#N)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347963461 226389805 /nfs/dbraw/zinc/38/98/05/226389805.db2.gz QODOTKSLRNURNL-UONOGXRCSA-N 2 0 261.413 2.533 20 30 CFEDRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(OCC#N)cc1 ZINC000037229417 260075867 /nfs/dbraw/zinc/07/58/67/260075867.db2.gz VJNWPLUMPUYCSU-HNNXBMFYSA-N 2 0 287.407 2.725 20 30 CFEDRP C[NH+]1CCC(C[NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC000086037710 260206920 /nfs/dbraw/zinc/20/69/20/260206920.db2.gz JXUUBKRVYLQDHL-UHFFFAOYSA-N 2 0 283.419 2.542 20 30 CFEDRP C#CC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364351735 262213626 /nfs/dbraw/zinc/21/36/26/262213626.db2.gz HNJRLMFAUJYAPH-XYJFISCASA-N 2 0 270.420 2.898 20 30 CFEDRP C[C@@H]([NH2+]C(C)(C)CNC(=[NH2+])NC(C)(C)C)c1ccccc1 ZINC000267452716 262931729 /nfs/dbraw/zinc/93/17/29/262931729.db2.gz RYMKNYUHQUOYAE-CYBMUJFWSA-N 2 0 290.455 2.819 20 30 CFEDRP C=CCOc1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000414899358 263106628 /nfs/dbraw/zinc/10/66/28/263106628.db2.gz FQVZSXSQCQFVJY-UHFFFAOYSA-N 2 0 274.408 2.731 20 30 CFEDRP C=CCOc1cccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000414913771 263119234 /nfs/dbraw/zinc/11/92/34/263119234.db2.gz WQRWFWZCGNQPGF-KRWDZBQOSA-N 2 0 274.408 2.731 20 30 CFEDRP C=CCc1cc(C[NH2+][C@@H](C)CCCC[NH3+])cc(OC)c1O ZINC000415019019 263255666 /nfs/dbraw/zinc/25/56/66/263255666.db2.gz VHNQEDITSHQDOG-ZDUSSCGKSA-N 2 0 292.423 2.736 20 30 CFEDRP C=CCCC[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000341133841 263323983 /nfs/dbraw/zinc/32/39/83/263323983.db2.gz WXVQMNUJNLNUPK-FGTMMUONSA-N 2 0 293.499 2.689 20 30 CFEDRP C=CCOCC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000370359112 267311052 /nfs/dbraw/zinc/31/10/52/267311052.db2.gz SOLHHXVKSCYTMD-RDJZCZTQSA-N 2 0 280.456 2.822 20 30 CFEDRP N#CCCCC[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371209309 267372227 /nfs/dbraw/zinc/37/22/27/267372227.db2.gz UAGMBFQKDUWTOW-MRXNPFEDSA-N 2 0 263.429 2.878 20 30 CFEDRP C#Cc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000290609461 275387312 /nfs/dbraw/zinc/38/73/12/275387312.db2.gz WJIZBIHEUUDPPR-QZTJIDSGSA-N 2 0 268.404 2.584 20 30 CFEDRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(C#N)cc1 ZINC000423545140 288072676 /nfs/dbraw/zinc/07/26/76/288072676.db2.gz OUSBANPMHSGEKQ-FJIDUMEYSA-N 2 0 283.419 2.987 20 30 CFEDRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000423441139 279255226 /nfs/dbraw/zinc/25/52/26/279255226.db2.gz UIKJZIOEGPFMGA-MLGOLLRUSA-N 2 0 257.381 2.653 20 30 CFEDRP CCCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185799350 329332122 /nfs/dbraw/zinc/33/21/22/329332122.db2.gz PJALTOSXLVZLFF-HOCLYGCPSA-N 2 0 263.429 2.923 20 30 CFEDRP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])C(C)C ZINC000422837702 330157278 /nfs/dbraw/zinc/15/72/78/330157278.db2.gz VEEVWOPJODVXGQ-RCCFBDPRSA-N 2 0 293.499 2.792 20 30 CFEDRP C=C(C)C[NH+]1CCC(N[C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000422982752 330162750 /nfs/dbraw/zinc/16/27/50/330162750.db2.gz XUYZDLRDNNAKBB-FUHWJXTLSA-N 2 0 293.499 2.927 20 30 CFEDRP N#CCCCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422971073 330164609 /nfs/dbraw/zinc/16/46/09/330164609.db2.gz HQJFKTKXEUKXLD-WBVHZDCISA-N 2 0 285.391 2.526 20 30 CFEDRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000423109217 330170697 /nfs/dbraw/zinc/17/06/97/330170697.db2.gz UNKNXJCZVWKFOI-GRTSSRMGSA-N 2 0 286.423 2.829 20 30 CFEDRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000423109218 330170722 /nfs/dbraw/zinc/17/07/22/330170722.db2.gz UNKNXJCZVWKFOI-LRVUVFPRSA-N 2 0 286.423 2.829 20 30 CFEDRP C=C(C)CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423155582 330173305 /nfs/dbraw/zinc/17/33/05/330173305.db2.gz QUNCBYKNXVHEEV-WBVHZDCISA-N 2 0 272.392 2.798 20 30 CFEDRP N#CC1(c2ccccc2)CCC([NH2+]CC[C@H]2CC[NH2+]C2)CC1 ZINC000423252692 330182895 /nfs/dbraw/zinc/18/28/95/330182895.db2.gz UHYMRPWEIZKLQD-IPJUCJBFSA-N 2 0 297.446 2.980 20 30 CFEDRP N#C[C@@H]1CCC[C@@H](NCC[NH2+]C2CCCCCC2)C1 ZINC000423280220 330185358 /nfs/dbraw/zinc/18/53/58/330185358.db2.gz SMOPKYPXEZRDES-GDBMZVCRSA-N 2 0 263.429 2.971 20 30 CFEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000424378513 330349088 /nfs/dbraw/zinc/34/90/88/330349088.db2.gz SVZPECNYLJRQTJ-DGADGQDISA-N 2 0 261.413 2.579 20 30 CFEDRP CCC[NH+](CCC)CCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442780980 330782506 /nfs/dbraw/zinc/78/25/06/330782506.db2.gz OTCYUWUCSLDIRU-HUUCEWRRSA-N 2 0 251.418 2.780 20 30 CFEDRP CC(C)[NH+]1CCC([NH2+]CC2CCC(C#N)CC2)CC1 ZINC000442858782 330787786 /nfs/dbraw/zinc/78/77/86/330787786.db2.gz IEBSOIJZQRRBEX-UHFFFAOYSA-N 2 0 263.429 2.779 20 30 CFEDRP COCCC[NH+]1CCC([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449110722 330899625 /nfs/dbraw/zinc/89/96/25/330899625.db2.gz GGNOMYVVOWKRIR-UHFFFAOYSA-N 2 0 293.455 2.549 20 30 CFEDRP C[N@@H+]1CCC[C@@H](CC[NH2+]CC(C)(C)CCC#N)C1 ZINC000459737612 331297048 /nfs/dbraw/zinc/29/70/48/331297048.db2.gz ROBDPHQVMQCJLO-AWEZNQCLSA-N 2 0 251.418 2.638 20 30 CFEDRP C(#CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459765258 331299418 /nfs/dbraw/zinc/29/94/18/331299418.db2.gz DHGDWLRJJJRFRV-GVLSGGHMSA-N 2 0 272.436 2.546 20 30 CFEDRP C#C[C@H](CC)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000491351901 332195678 /nfs/dbraw/zinc/19/56/78/332195678.db2.gz WKXFNGUDBGUPPD-QGZVFWFLSA-N 2 0 299.462 2.718 20 30 CFEDRP C[C@H]1C[NH+](CCCC[NH2+]CC(C)(C)CCC#N)C[C@H](C)O1 ZINC000174316380 335152536 /nfs/dbraw/zinc/15/25/36/335152536.db2.gz NITVXDZOPFYIJR-HOTGVXAUSA-N 2 0 295.471 2.795 20 30 CFEDRP C[C@@H](C[NH2+]CC(C)(C)CCC#N)C[NH+]1CCCC1 ZINC000135152755 334117964 /nfs/dbraw/zinc/11/79/64/334117964.db2.gz LGMVVGOOAZSJEP-AWEZNQCLSA-N 2 0 251.418 2.638 20 30 CFEDRP CC#CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000381990514 336079907 /nfs/dbraw/zinc/07/99/07/336079907.db2.gz OYZOTJGHAZQAHK-OALUTQOASA-N 2 0 282.431 2.854 20 30 CFEDRP