smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3C[C@H]3C3CCC3)CC2)cc1 ZINC000424174475 1011937708 /nfs/dbraw/zinc/93/77/08/1011937708.db2.gz OHKIZCFOJZDBGP-FPOVZHCZSA-N 2 2 323.484 3.548 20 30 DHEDLP C[C@]1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000248763109 1017322895 /nfs/dbraw/zinc/32/28/95/1017322895.db2.gz DWNRHJQJRSWHLD-SLFFLAALSA-N 2 2 311.473 3.713 20 30 DHEDLP C[C@]1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CCC[N@H+]1Cc1ccccc1 ZINC000248763109 1017322917 /nfs/dbraw/zinc/32/29/17/1017322917.db2.gz DWNRHJQJRSWHLD-SLFFLAALSA-N 2 2 311.473 3.713 20 30 DHEDLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc(C#N)cs2)C1 ZINC000245572355 1018230178 /nfs/dbraw/zinc/23/01/78/1018230178.db2.gz YEPKJMVPFGCBGW-CVEARBPZSA-N 2 2 317.502 3.706 20 30 DHEDLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc(C#N)cs2)C1 ZINC000245572355 1018230197 /nfs/dbraw/zinc/23/01/97/1018230197.db2.gz YEPKJMVPFGCBGW-CVEARBPZSA-N 2 2 317.502 3.706 20 30 DHEDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000245572355 1018230209 /nfs/dbraw/zinc/23/02/09/1018230209.db2.gz YEPKJMVPFGCBGW-CVEARBPZSA-N 2 2 317.502 3.706 20 30 DHEDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000245572355 1018230219 /nfs/dbraw/zinc/23/02/19/1018230219.db2.gz YEPKJMVPFGCBGW-CVEARBPZSA-N 2 2 317.502 3.706 20 30 DHEDLP C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174651266 1018456086 /nfs/dbraw/zinc/45/60/86/1018456086.db2.gz JXXNEXQNLJOLQA-HNNXBMFYSA-N 2 2 302.381 3.595 20 30 DHEDLP CC1(C)CC(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000527349520 1018554439 /nfs/dbraw/zinc/55/44/39/1018554439.db2.gz NCAMJALCOFVYAG-UHFFFAOYSA-N 2 2 311.473 3.548 20 30 DHEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000414337085 1021105945 /nfs/dbraw/zinc/10/59/45/1021105945.db2.gz PZRZDRQIOWZPSR-UHFFFAOYSA-N 2 2 312.379 3.754 20 30 DHEDLP CC[C@@H](CC#N)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172077454 1032982716 /nfs/dbraw/zinc/98/27/16/1032982716.db2.gz SUCLHWDZLDZFMD-HAGHYFMRSA-N 2 2 311.473 3.854 20 30 DHEDLP CC[C@@H](CC#N)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077454 1032982727 /nfs/dbraw/zinc/98/27/27/1032982727.db2.gz SUCLHWDZLDZFMD-HAGHYFMRSA-N 2 2 311.473 3.854 20 30 DHEDLP CC[C@H](CC#N)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172068101 1032992432 /nfs/dbraw/zinc/99/24/32/1032992432.db2.gz SUCLHWDZLDZFMD-WTGUMLROSA-N 2 2 311.473 3.854 20 30 DHEDLP CC[C@H](CC#N)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068101 1032992436 /nfs/dbraw/zinc/99/24/36/1032992436.db2.gz SUCLHWDZLDZFMD-WTGUMLROSA-N 2 2 311.473 3.854 20 30 DHEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](CCC#N)C1CCCCCCC1)C2 ZINC001169141362 1022271462 /nfs/dbraw/zinc/27/14/62/1022271462.db2.gz XEOBZRXFPIPRRN-REPLKXPHSA-N 2 2 303.494 3.940 20 30 DHEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](CCC#N)C1CCCCCCC1)C2 ZINC001169141362 1022271470 /nfs/dbraw/zinc/27/14/70/1022271470.db2.gz XEOBZRXFPIPRRN-REPLKXPHSA-N 2 2 303.494 3.940 20 30 DHEDLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+](CCC#N)C1CCCCCCC1)C2 ZINC001169141362 1022271477 /nfs/dbraw/zinc/27/14/77/1022271477.db2.gz XEOBZRXFPIPRRN-REPLKXPHSA-N 2 2 303.494 3.940 20 30 DHEDLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+](CCC#N)C1CCCCCCC1)C2 ZINC001169141362 1022271488 /nfs/dbraw/zinc/27/14/88/1022271488.db2.gz XEOBZRXFPIPRRN-REPLKXPHSA-N 2 2 303.494 3.940 20 30 DHEDLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000776728031 1022447461 /nfs/dbraw/zinc/44/74/61/1022447461.db2.gz FRZYTGHPCCJKPM-GUYCJALGSA-N 2 2 314.408 3.659 20 30 DHEDLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C#N)c(F)c1 ZINC000776738659 1022477559 /nfs/dbraw/zinc/47/75/59/1022477559.db2.gz ONLMQZQRZCRGEQ-AWEZNQCLSA-N 2 2 320.371 3.734 20 30 DHEDLP C[C@@H](Cc1ccc(C#N)cc1)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001172305655 1033076500 /nfs/dbraw/zinc/07/65/00/1033076500.db2.gz UAWMSSIDDUVIGX-HNNXBMFYSA-N 2 2 316.408 3.684 20 30 DHEDLP CC(C)CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181391734 1023078911 /nfs/dbraw/zinc/07/89/11/1023078911.db2.gz AKRSLMAMWDZKFR-QGZVFWFLSA-N 2 2 313.489 3.937 20 30 DHEDLP CSc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1C#N ZINC000925773707 1024353502 /nfs/dbraw/zinc/35/35/02/1024353502.db2.gz OKRCQVMHHXVWCW-DLBZAZTESA-N 2 2 309.438 3.515 20 30 DHEDLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)C1CC1 ZINC000248994605 1025889657 /nfs/dbraw/zinc/88/96/57/1025889657.db2.gz OMCPHBJOBDHXAG-YSIASYRMSA-N 2 2 311.473 3.569 20 30 DHEDLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)C1CC1 ZINC000248994605 1025889674 /nfs/dbraw/zinc/88/96/74/1025889674.db2.gz OMCPHBJOBDHXAG-YSIASYRMSA-N 2 2 311.473 3.569 20 30 DHEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000280693287 1026691819 /nfs/dbraw/zinc/69/18/19/1026691819.db2.gz BKHUCEPQLLWKOP-SUMDDJOVSA-N 2 2 311.429 3.504 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2ccc(OC)cc2F)C(C)C)CC1 ZINC000421828081 1027059661 /nfs/dbraw/zinc/05/96/61/1027059661.db2.gz AXOABNMMHFMYLU-LJQANCHMSA-N 2 2 320.452 3.771 20 30 DHEDLP C=CCCCCC[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000365340268 1027928352 /nfs/dbraw/zinc/92/83/52/1027928352.db2.gz AOISSXZRXOKZRW-QAPCUYQASA-N 2 2 321.534 3.998 20 30 DHEDLP C=CCCCCC[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000365340268 1027928368 /nfs/dbraw/zinc/92/83/68/1027928368.db2.gz AOISSXZRXOKZRW-QAPCUYQASA-N 2 2 321.534 3.998 20 30 DHEDLP C=C(C)C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1OCC ZINC000161895406 1030959286 /nfs/dbraw/zinc/95/92/86/1030959286.db2.gz HWEIDSPBDGIDOC-UHFFFAOYSA-N 2 2 313.445 3.750 20 30 DHEDLP C=C(C)C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1OCC ZINC000161895406 1030959305 /nfs/dbraw/zinc/95/93/05/1030959305.db2.gz HWEIDSPBDGIDOC-UHFFFAOYSA-N 2 2 313.445 3.750 20 30 DHEDLP CC1(C#N)CCC([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CC1 ZINC001173591950 1033781590 /nfs/dbraw/zinc/78/15/90/1033781590.db2.gz ZZDKTGNOBSGZHM-UHFFFAOYSA-N 2 2 315.436 3.548 20 30 DHEDLP C#C[C@H](C)[N@H+](C)C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001193919562 1035772977 /nfs/dbraw/zinc/77/29/77/1035772977.db2.gz BFQHRIBLRXHPJX-UGKGYDQZSA-N 2 2 320.480 3.856 20 30 DHEDLP C#C[C@H](C)[N@@H+](C)C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001193919562 1035772993 /nfs/dbraw/zinc/77/29/93/1035772993.db2.gz BFQHRIBLRXHPJX-UGKGYDQZSA-N 2 2 320.480 3.856 20 30 DHEDLP C#C[C@H](C)[NH+](C)C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001193919562 1035773009 /nfs/dbraw/zinc/77/30/09/1035773009.db2.gz BFQHRIBLRXHPJX-UGKGYDQZSA-N 2 2 320.480 3.856 20 30 DHEDLP C#C[C@H](C)[NH+](C)C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001193919562 1035773019 /nfs/dbraw/zinc/77/30/19/1035773019.db2.gz BFQHRIBLRXHPJX-UGKGYDQZSA-N 2 2 320.480 3.856 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000177909143 1037280447 /nfs/dbraw/zinc/28/04/47/1037280447.db2.gz QHOVKAVHIZFMNL-IBGZPJMESA-N 2 2 304.453 3.633 20 30 DHEDLP N#CC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCC1 ZINC000593654319 1039580709 /nfs/dbraw/zinc/58/07/09/1039580709.db2.gz VPNVYWBABITEQY-LJQANCHMSA-N 2 2 323.484 3.857 20 30 DHEDLP N#CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCC1 ZINC000593654319 1039580718 /nfs/dbraw/zinc/58/07/18/1039580718.db2.gz VPNVYWBABITEQY-LJQANCHMSA-N 2 2 323.484 3.857 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2cc(C)ccc2OC)CC1 ZINC000093405880 335000497 /nfs/dbraw/zinc/00/04/97/335000497.db2.gz JPDFVHDYOTUXRA-GOSISDBHSA-N 2 2 302.462 3.695 20 30 DHEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)o2)CC[N@@H+]1Cc1ccccc1 ZINC000093318217 193232457 /nfs/dbraw/zinc/23/24/57/193232457.db2.gz JMTCHUCOKNZGAQ-AEFFLSMTSA-N 2 2 323.440 3.636 20 30 DHEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC000093318217 193232459 /nfs/dbraw/zinc/23/24/59/193232459.db2.gz JMTCHUCOKNZGAQ-AEFFLSMTSA-N 2 2 323.440 3.636 20 30 DHEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)o2)CC[NH+]1Cc1ccccc1 ZINC000093318217 193232461 /nfs/dbraw/zinc/23/24/61/193232461.db2.gz JMTCHUCOKNZGAQ-AEFFLSMTSA-N 2 2 323.440 3.636 20 30 DHEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)o2)CC[NH+]1Cc1ccccc1 ZINC000093318217 193232463 /nfs/dbraw/zinc/23/24/63/193232463.db2.gz JMTCHUCOKNZGAQ-AEFFLSMTSA-N 2 2 323.440 3.636 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](COC)c2ccc(Cl)cc2)CC1 ZINC000194032096 335059098 /nfs/dbraw/zinc/05/90/98/335059098.db2.gz JJOGNXVMRMNOKY-GOSISDBHSA-N 2 2 322.880 3.658 20 30 DHEDLP CC(C)(C#N)CCCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000568171023 331725056 /nfs/dbraw/zinc/72/50/56/331725056.db2.gz LXVPNOSIUWGTND-UHFFFAOYSA-N 2 2 300.450 3.678 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000153014798 332338830 /nfs/dbraw/zinc/33/88/30/332338830.db2.gz YAMUWCLVNJMQOT-KRWDZBQOSA-N 3 2 324.472 3.563 20 30 DHEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000272045489 334030276 /nfs/dbraw/zinc/03/02/76/334030276.db2.gz SCSJMWJNVXHMQQ-INIZCTEOSA-N 2 2 310.445 3.749 20 30 DHEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000272045489 334030277 /nfs/dbraw/zinc/03/02/77/334030277.db2.gz SCSJMWJNVXHMQQ-INIZCTEOSA-N 2 2 310.445 3.749 20 30 DHEDLP Cc1ccc([C@@H](C[NH2+]Cc2ccc(C#N)c(C)c2)[NH+](C)C)cc1 ZINC000443979625 338465199 /nfs/dbraw/zinc/46/51/99/338465199.db2.gz AZGSFBLYILDMCR-HXUWFJFHSA-N 2 2 307.441 3.568 20 30 DHEDLP C[C@@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000343631336 335183194 /nfs/dbraw/zinc/18/31/94/335183194.db2.gz ZFPBOOUUMZCSOB-MRXNPFEDSA-N 2 2 316.408 3.637 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3cc(F)ccc3o2)CC1 ZINC000344236695 335230934 /nfs/dbraw/zinc/23/09/34/335230934.db2.gz AGBSOSAZKDPIHZ-UHFFFAOYSA-N 2 2 302.393 3.702 20 30 DHEDLP C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000346364757 335406247 /nfs/dbraw/zinc/40/62/47/335406247.db2.gz ZFPBTFSEEAPQOJ-CYBMUJFWSA-N 2 2 308.410 3.656 20 30 DHEDLP CC(C)(CCC#N)C[NH2+]C[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000360024174 337084045 /nfs/dbraw/zinc/08/40/45/337084045.db2.gz UDGUXYMUUVIJOJ-LJQANCHMSA-N 2 2 313.489 3.613 20 30 DHEDLP CC(C)(CCC#N)C[NH2+]C[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000360024174 337084046 /nfs/dbraw/zinc/08/40/46/337084046.db2.gz UDGUXYMUUVIJOJ-LJQANCHMSA-N 2 2 313.489 3.613 20 30 DHEDLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(C#N)c1 ZINC000174431134 337141867 /nfs/dbraw/zinc/14/18/67/337141867.db2.gz ZGADIUVSYGNLQY-CQSZACIVSA-N 2 2 320.371 3.734 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000177907680 337158873 /nfs/dbraw/zinc/15/88/73/337158873.db2.gz WOKHEQRCORRMLD-CYBMUJFWSA-N 2 2 308.466 3.849 20 30 DHEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(Cl)c1 ZINC000439423621 338368987 /nfs/dbraw/zinc/36/89/87/338368987.db2.gz PQNUZKVSXBHHBV-MRXNPFEDSA-N 2 2 317.864 3.519 20 30 DHEDLP N#Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(Cl)c1 ZINC000439423621 338368988 /nfs/dbraw/zinc/36/89/88/338368988.db2.gz PQNUZKVSXBHHBV-MRXNPFEDSA-N 2 2 317.864 3.519 20 30 DHEDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C#N)cc1Cl ZINC000439430427 338369212 /nfs/dbraw/zinc/36/92/12/338369212.db2.gz LWNALWIGWPYNMD-MRXNPFEDSA-N 2 2 305.853 3.518 20 30 DHEDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C#N)cc1Cl ZINC000439430427 338369213 /nfs/dbraw/zinc/36/92/13/338369213.db2.gz LWNALWIGWPYNMD-MRXNPFEDSA-N 2 2 305.853 3.518 20 30 DHEDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(C#N)cc1Cl ZINC000439430427 338369214 /nfs/dbraw/zinc/36/92/14/338369214.db2.gz LWNALWIGWPYNMD-MRXNPFEDSA-N 2 2 305.853 3.518 20 30 DHEDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(C#N)cc1Cl ZINC000439430427 338369215 /nfs/dbraw/zinc/36/92/15/338369215.db2.gz LWNALWIGWPYNMD-MRXNPFEDSA-N 2 2 305.853 3.518 20 30 DHEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000439437121 338369415 /nfs/dbraw/zinc/36/94/15/338369415.db2.gz ISRWXWVPQOSGEU-KRWDZBQOSA-N 2 2 317.864 3.662 20 30 DHEDLP N#Cc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000439437121 338369416 /nfs/dbraw/zinc/36/94/16/338369416.db2.gz ISRWXWVPQOSGEU-KRWDZBQOSA-N 2 2 317.864 3.662 20 30 DHEDLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccc(C#N)cc1F ZINC000512665053 340371926 /nfs/dbraw/zinc/37/19/26/340371926.db2.gz DAAHQIBENCYPLE-ZDUSSCGKSA-N 2 2 322.387 3.857 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000538100344 340809231 /nfs/dbraw/zinc/80/92/31/340809231.db2.gz OQWNEYUXKIDJLM-IBGZPJMESA-N 2 2 302.437 3.825 20 30 DHEDLP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1ccc(C#N)cc1)c1ccccc1 ZINC000074372296 341144860 /nfs/dbraw/zinc/14/48/60/341144860.db2.gz BYDVBKSTDDHUPW-MRXNPFEDSA-N 2 2 307.441 3.777 20 30 DHEDLP CCc1[nH+]c2cc(C[NH2+][C@H]3CC[C@@H](C#N)C3)ccc2n1C1CC1 ZINC000549610285 341298895 /nfs/dbraw/zinc/29/88/95/341298895.db2.gz JYDVXFSWJNRAPV-HIFRSBDPSA-N 2 2 308.429 3.715 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC3=CCCC3)CC2)cc1 ZINC000182069212 526609166 /nfs/dbraw/zinc/60/91/66/526609166.db2.gz YRUOICAEXLPVJR-UHFFFAOYSA-N 2 2 309.457 3.613 20 30 DHEDLP CC(C)(CCC#N)C[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000121796990 1032478915 /nfs/dbraw/zinc/47/89/15/1032478915.db2.gz ROZXKBKIFPRYSD-HXUWFJFHSA-N 2 2 313.489 3.961 20 30 DHEDLP CC(C)(CCC#N)C[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000121796990 1032478919 /nfs/dbraw/zinc/47/89/19/1032478919.db2.gz ROZXKBKIFPRYSD-HXUWFJFHSA-N 2 2 313.489 3.961 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](c2ccc(F)c(F)c2)C(C)C)CC1 ZINC000182069187 1017858239 /nfs/dbraw/zinc/85/82/39/1017858239.db2.gz YVNAESNFQWYNCC-SFHVURJKSA-N 2 2 308.416 3.902 20 30 DHEDLP C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000178792341 1018080725 /nfs/dbraw/zinc/08/07/25/1018080725.db2.gz IGJSKYXJESKLIN-CQSZACIVSA-N 2 2 320.371 3.734 20 30 DHEDLP C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000361867336 1018741254 /nfs/dbraw/zinc/74/12/54/1018741254.db2.gz ZFRIZVVVHQNEBX-CQSZACIVSA-N 2 2 320.371 3.734 20 30 DHEDLP C=C(C)[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)c(F)c1 ZINC000248549314 1019025985 /nfs/dbraw/zinc/02/59/85/1019025985.db2.gz HGVLGIQAORIBCC-MPGHIAIKSA-N 2 2 306.400 3.798 20 30 DHEDLP C=C(C)[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)c(F)c1 ZINC000248549314 1019025999 /nfs/dbraw/zinc/02/59/99/1019025999.db2.gz HGVLGIQAORIBCC-MPGHIAIKSA-N 2 2 306.400 3.798 20 30 DHEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000154648466 1021455713 /nfs/dbraw/zinc/45/57/13/1021455713.db2.gz TYKIPFGKZWDVOX-GOEBONIOSA-N 2 2 308.853 3.563 20 30 DHEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000154648466 1021455726 /nfs/dbraw/zinc/45/57/26/1021455726.db2.gz TYKIPFGKZWDVOX-GOEBONIOSA-N 2 2 308.853 3.563 20 30 DHEDLP C=C(Br)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379647900 1021661949 /nfs/dbraw/zinc/66/19/49/1021661949.db2.gz LGXQGGQCCBZKID-HOCLYGCPSA-N 2 2 323.278 3.538 20 30 DHEDLP C=C(Br)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379647900 1021661956 /nfs/dbraw/zinc/66/19/56/1021661956.db2.gz LGXQGGQCCBZKID-HOCLYGCPSA-N 2 2 323.278 3.538 20 30 DHEDLP N#Cc1cccc(C2([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CC2)c1 ZINC000341209159 1022049601 /nfs/dbraw/zinc/04/96/01/1022049601.db2.gz COCHUSWRVMAGJV-UHFFFAOYSA-N 2 2 320.421 3.584 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@@H]4CCCC[C@H]34)CC2)cc1 ZINC000883319544 1024374179 /nfs/dbraw/zinc/37/41/79/1024374179.db2.gz GIRFNZKTKLHSKF-SESVDKBCSA-N 2 2 323.484 3.691 20 30 DHEDLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@H](C)CCCC#N)CC1 ZINC001172488605 1033220379 /nfs/dbraw/zinc/22/03/79/1033220379.db2.gz NGNKQSGJPLPEIV-MRXNPFEDSA-N 2 2 317.452 3.771 20 30 DHEDLP Cc1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)ccc1C#N ZINC000349379068 1024710811 /nfs/dbraw/zinc/71/08/11/1024710811.db2.gz AAZMKYDUDUJPAO-UHFFFAOYSA-N 2 2 322.456 3.756 20 30 DHEDLP C#CCCCCCC[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000877115962 1033243340 /nfs/dbraw/zinc/24/33/40/1033243340.db2.gz XWRLUSPTKQYDCO-SFHVURJKSA-N 2 2 313.489 3.780 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000091334226 1026100837 /nfs/dbraw/zinc/10/08/37/1026100837.db2.gz FBRRNSCOVCCOTL-IBGZPJMESA-N 2 2 302.462 3.632 20 30 DHEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373486513 1029061624 /nfs/dbraw/zinc/06/16/24/1029061624.db2.gz SCNVGKLHPMKKEF-KCNJBTMXSA-N 2 2 318.427 3.982 20 30 DHEDLP C[C@H](C#N)C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC000411405088 1029120260 /nfs/dbraw/zinc/12/02/60/1029120260.db2.gz YFNNTQWPQHLVDY-QGZVFWFLSA-N 2 2 311.473 3.797 20 30 DHEDLP C[C@H](C#N)C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC000411405088 1029120265 /nfs/dbraw/zinc/12/02/65/1029120265.db2.gz YFNNTQWPQHLVDY-QGZVFWFLSA-N 2 2 311.473 3.797 20 30 DHEDLP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cccc(C#N)c1O ZINC000866231949 1030168574 /nfs/dbraw/zinc/16/85/74/1030168574.db2.gz AVCYQSWRRSVZOK-CVEARBPZSA-N 2 2 315.461 3.569 20 30 DHEDLP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cccc(C#N)c1O ZINC000866231949 1030168583 /nfs/dbraw/zinc/16/85/83/1030168583.db2.gz AVCYQSWRRSVZOK-CVEARBPZSA-N 2 2 315.461 3.569 20 30 DHEDLP C[C@@H](CCC1CC1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000361460464 1031934917 /nfs/dbraw/zinc/93/49/17/1031934917.db2.gz XTTDVBXNOWBFPX-INIZCTEOSA-N 2 2 311.473 3.691 20 30 DHEDLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@H](C#N)CCC#N ZINC000554552320 1034205108 /nfs/dbraw/zinc/20/51/08/1034205108.db2.gz SFNOAPUNEWUIMI-MSOLQXFVSA-N 2 2 324.472 3.594 20 30 DHEDLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H](C#N)CCC#N ZINC000554552320 1034205121 /nfs/dbraw/zinc/20/51/21/1034205121.db2.gz SFNOAPUNEWUIMI-MSOLQXFVSA-N 2 2 324.472 3.594 20 30 DHEDLP CC(C)[NH+]1CCC([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000180463358 1034344607 /nfs/dbraw/zinc/34/46/07/1034344607.db2.gz WTRKOJQSKNGXMK-UHFFFAOYSA-N 2 2 324.390 3.519 20 30 DHEDLP C=CC[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC001174641087 1034523541 /nfs/dbraw/zinc/52/35/41/1034523541.db2.gz AXLRPVUOHUQMFA-IBGZPJMESA-N 2 2 316.489 3.564 20 30 DHEDLP C=CC[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC001174641087 1034523547 /nfs/dbraw/zinc/52/35/47/1034523547.db2.gz AXLRPVUOHUQMFA-IBGZPJMESA-N 2 2 316.489 3.564 20 30 DHEDLP C=CC[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC001174641087 1034523550 /nfs/dbraw/zinc/52/35/50/1034523550.db2.gz AXLRPVUOHUQMFA-IBGZPJMESA-N 2 2 316.489 3.564 20 30 DHEDLP C=CC[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC001174641087 1034523559 /nfs/dbraw/zinc/52/35/59/1034523559.db2.gz AXLRPVUOHUQMFA-IBGZPJMESA-N 2 2 316.489 3.564 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCC3CCC3)CC2)cc1 ZINC000594978670 1039951370 /nfs/dbraw/zinc/95/13/70/1039951370.db2.gz VDWBOSCZTWKAHX-UHFFFAOYSA-N 2 2 311.473 3.693 20 30 DHEDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C2CCC(C#N)CC2)c(C)c1 ZINC000602581309 1041114036 /nfs/dbraw/zinc/11/40/36/1041114036.db2.gz JPVMAVYYYBIVEU-QLOJAFMTSA-N 2 2 322.456 3.913 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC000180490010 334950787 /nfs/dbraw/zinc/95/07/87/334950787.db2.gz QDXHRZVFMZRTFI-OAQYLSRUSA-N 2 2 321.468 3.801 20 30 DHEDLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000289392172 131381324 /nfs/dbraw/zinc/38/13/24/131381324.db2.gz MPZNFIHXBSDSDT-MRXNPFEDSA-N 2 2 321.424 3.866 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](COC)c2cccc(Cl)c2)CC1 ZINC000289790630 335065443 /nfs/dbraw/zinc/06/54/43/335065443.db2.gz OJYZFDJEDJAONF-GOSISDBHSA-N 2 2 322.880 3.658 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CCc2ccc(F)cc2F)CC1 ZINC000569464035 332094658 /nfs/dbraw/zinc/09/46/58/332094658.db2.gz VAIJOCMQJJSVKZ-AWEZNQCLSA-N 2 2 308.416 3.526 20 30 DHEDLP C[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000132797030 332133512 /nfs/dbraw/zinc/13/35/12/332133512.db2.gz YSQDNZWTQFJSOS-LAUBAEHRSA-N 2 2 319.452 3.873 20 30 DHEDLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000132797030 332133514 /nfs/dbraw/zinc/13/35/14/332133514.db2.gz YSQDNZWTQFJSOS-LAUBAEHRSA-N 2 2 319.452 3.873 20 30 DHEDLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000132797274 332133553 /nfs/dbraw/zinc/13/35/53/332133553.db2.gz YSQDNZWTQFJSOS-DYESRHJHSA-N 2 2 319.452 3.873 20 30 DHEDLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000132797274 332133555 /nfs/dbraw/zinc/13/35/55/332133555.db2.gz YSQDNZWTQFJSOS-DYESRHJHSA-N 2 2 319.452 3.873 20 30 DHEDLP C=CC[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000414297991 333935878 /nfs/dbraw/zinc/93/58/78/333935878.db2.gz IFSCWQIRTLOUCK-FQEVSTJZSA-N 2 2 321.468 3.827 20 30 DHEDLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+](CCC#N)CC1CC1 ZINC000353417614 334055443 /nfs/dbraw/zinc/05/54/43/334055443.db2.gz UYROONWDCBONGP-UHFFFAOYSA-N 2 2 313.489 3.770 20 30 DHEDLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+](CCC#N)CC1CC1 ZINC000353417614 334055445 /nfs/dbraw/zinc/05/54/45/334055445.db2.gz UYROONWDCBONGP-UHFFFAOYSA-N 2 2 313.489 3.770 20 30 DHEDLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](CCC#N)CC1CC1 ZINC000353417614 334055447 /nfs/dbraw/zinc/05/54/47/334055447.db2.gz UYROONWDCBONGP-UHFFFAOYSA-N 2 2 313.489 3.770 20 30 DHEDLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](CCC#N)CC1CC1 ZINC000353417614 334055448 /nfs/dbraw/zinc/05/54/48/334055448.db2.gz UYROONWDCBONGP-UHFFFAOYSA-N 2 2 313.489 3.770 20 30 DHEDLP CC1(C)CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000344293731 335237563 /nfs/dbraw/zinc/23/75/63/335237563.db2.gz IMZINAHFYYOAQH-IBGZPJMESA-N 2 2 311.473 3.691 20 30 DHEDLP C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000346534295 335419435 /nfs/dbraw/zinc/41/94/35/335419435.db2.gz OPYPCLBDVJIXIP-MRXNPFEDSA-N 2 2 316.408 3.789 20 30 DHEDLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2C#N)C1 ZINC000352804211 336240938 /nfs/dbraw/zinc/24/09/38/336240938.db2.gz ZWPZQNSPCOJOMI-MSOLQXFVSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2C#N)C1 ZINC000352804211 336240939 /nfs/dbraw/zinc/24/09/39/336240939.db2.gz ZWPZQNSPCOJOMI-MSOLQXFVSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000352804211 336240940 /nfs/dbraw/zinc/24/09/40/336240940.db2.gz ZWPZQNSPCOJOMI-MSOLQXFVSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000352804211 336240941 /nfs/dbraw/zinc/24/09/41/336240941.db2.gz ZWPZQNSPCOJOMI-MSOLQXFVSA-N 2 2 311.473 3.645 20 30 DHEDLP C=CC[NH+]1CCC(Nc2c(C)c[nH+]c3c(OC)cccc23)CC1 ZINC000302646709 336363436 /nfs/dbraw/zinc/36/34/36/336363436.db2.gz MIFMZAQCAWPOLT-UHFFFAOYSA-N 2 2 311.429 3.614 20 30 DHEDLP C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377254593 337049565 /nfs/dbraw/zinc/04/95/65/337049565.db2.gz GDCFYIUSBWWJPX-OTWHNJEPSA-N 2 2 301.478 3.799 20 30 DHEDLP C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377254593 337049566 /nfs/dbraw/zinc/04/95/66/337049566.db2.gz GDCFYIUSBWWJPX-OTWHNJEPSA-N 2 2 301.478 3.799 20 30 DHEDLP C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000378476355 337073710 /nfs/dbraw/zinc/07/37/10/337073710.db2.gz RYBGWRKQEJNDNT-WDSOQIARSA-N 2 2 318.509 3.528 20 30 DHEDLP C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000378476355 337073711 /nfs/dbraw/zinc/07/37/11/337073711.db2.gz RYBGWRKQEJNDNT-WDSOQIARSA-N 2 2 318.509 3.528 20 30 DHEDLP C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000378476356 337073719 /nfs/dbraw/zinc/07/37/19/337073719.db2.gz RYBGWRKQEJNDNT-YTQUADARSA-N 2 2 318.509 3.528 20 30 DHEDLP C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000378476356 337073720 /nfs/dbraw/zinc/07/37/20/337073720.db2.gz RYBGWRKQEJNDNT-YTQUADARSA-N 2 2 318.509 3.528 20 30 DHEDLP C=CCCC[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434745562 338224666 /nfs/dbraw/zinc/22/46/66/338224666.db2.gz XOTOXSLWCYDNKL-WDSOQIARSA-N 2 2 301.478 3.751 20 30 DHEDLP C=CCCC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434745562 338224667 /nfs/dbraw/zinc/22/46/67/338224667.db2.gz XOTOXSLWCYDNKL-WDSOQIARSA-N 2 2 301.478 3.751 20 30 DHEDLP C=CCCC[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434745562 338224668 /nfs/dbraw/zinc/22/46/68/338224668.db2.gz XOTOXSLWCYDNKL-WDSOQIARSA-N 2 2 301.478 3.751 20 30 DHEDLP C=CCCC[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434745562 338224669 /nfs/dbraw/zinc/22/46/69/338224669.db2.gz XOTOXSLWCYDNKL-WDSOQIARSA-N 2 2 301.478 3.751 20 30 DHEDLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C#N)cc2Cl)CC1 ZINC000439438178 338369466 /nfs/dbraw/zinc/36/94/66/338369466.db2.gz JYGWUGSDSZKKEQ-UHFFFAOYSA-N 2 2 305.853 3.518 20 30 DHEDLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)cc2Cl)CC1 ZINC000439438178 338369467 /nfs/dbraw/zinc/36/94/67/338369467.db2.gz JYGWUGSDSZKKEQ-UHFFFAOYSA-N 2 2 305.853 3.518 20 30 DHEDLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000538394655 340820778 /nfs/dbraw/zinc/82/07/78/340820778.db2.gz JLUHOMIYCZIMNY-IBGZPJMESA-N 2 2 313.489 3.937 20 30 DHEDLP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000248624145 341381882 /nfs/dbraw/zinc/38/18/82/341381882.db2.gz CGEQOYSKNBRAIC-RZQQEMMASA-N 2 2 307.441 3.900 20 30 DHEDLP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000364800828 522655397 /nfs/dbraw/zinc/65/53/97/522655397.db2.gz UGMDPLROIYAWRS-IBGZPJMESA-N 2 2 316.408 3.985 20 30 DHEDLP C[C@H]1CC([NH2+]CC2(C#N)CCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168009217 1014484676 /nfs/dbraw/zinc/48/46/76/1014484676.db2.gz ZGVQFDMWFNBWGY-IRXDYDNUSA-N 2 2 311.473 3.711 20 30 DHEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H](C)C1CCSCC1)C(C)C ZINC000474471155 1015384955 /nfs/dbraw/zinc/38/49/55/1015384955.db2.gz FYLFBUBUFJSSLR-FUHWJXTLSA-N 2 2 310.551 3.806 20 30 DHEDLP C=C1CCC(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000922711186 1020223274 /nfs/dbraw/zinc/22/32/74/1020223274.db2.gz FQQRTQCCSWQWTE-UHFFFAOYSA-N 2 2 323.484 3.859 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C2CCC(C(F)(F)F)CC2)CC1 ZINC000474710478 1020524098 /nfs/dbraw/zinc/52/40/98/1020524098.db2.gz PYHMRBWJRIRWGY-WLYUNCDWSA-N 2 2 318.427 3.984 20 30 DHEDLP C=C1C[C@@H]2CC([NH2+]CC3C[NH+](Cc4ccccc4)C3)C[C@H](C1)C2 ZINC000716276203 1020843067 /nfs/dbraw/zinc/84/30/67/1020843067.db2.gz HTQZUQNQIALQHG-PMSBKCLSSA-N 2 2 310.485 3.843 20 30 DHEDLP CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)o2)CC[N@@H+]1Cc1ccccc1 ZINC001171976976 1032967221 /nfs/dbraw/zinc/96/72/21/1032967221.db2.gz WCHWWGZEXHASJO-KRWDZBQOSA-N 2 2 323.440 3.684 20 30 DHEDLP CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC001171976976 1032967225 /nfs/dbraw/zinc/96/72/25/1032967225.db2.gz WCHWWGZEXHASJO-KRWDZBQOSA-N 2 2 323.440 3.684 20 30 DHEDLP N#CC1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC001172067931 1032987268 /nfs/dbraw/zinc/98/72/68/1032987268.db2.gz OOHWZTKLZIGRJN-ACDBMABISA-N 2 2 323.484 3.856 20 30 DHEDLP N#CC1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC001172067931 1032987278 /nfs/dbraw/zinc/98/72/78/1032987278.db2.gz OOHWZTKLZIGRJN-ACDBMABISA-N 2 2 323.484 3.856 20 30 DHEDLP C[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379653118 1021677200 /nfs/dbraw/zinc/67/72/00/1021677200.db2.gz YUSGSNXVIMMLSL-SIKLNZKXSA-N 2 2 318.464 3.681 20 30 DHEDLP C[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379653118 1021677207 /nfs/dbraw/zinc/67/72/07/1021677207.db2.gz YUSGSNXVIMMLSL-SIKLNZKXSA-N 2 2 318.464 3.681 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CCC4(CC4)CC3)CC2)cc1 ZINC000278818562 1021828441 /nfs/dbraw/zinc/82/84/41/1021828441.db2.gz SHOQDJMOTGFZDE-UHFFFAOYSA-N 2 2 323.484 3.835 20 30 DHEDLP N#Cc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000619748642 1021880636 /nfs/dbraw/zinc/88/06/36/1021880636.db2.gz POMZNSNBDGFNRN-UHFFFAOYSA-N 2 2 322.799 3.687 20 30 DHEDLP CC[C@@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1ccc(C#N)cc1 ZINC000365731823 1021965423 /nfs/dbraw/zinc/96/54/23/1021965423.db2.gz CWAORUIZPRZDSY-QZTJIDSGSA-N 2 2 308.429 3.682 20 30 DHEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000616770515 1022765767 /nfs/dbraw/zinc/76/57/67/1022765767.db2.gz LQHBCDQELKFDIO-INIZCTEOSA-N 2 2 316.408 3.903 20 30 DHEDLP CC(C)CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181391754 1023078218 /nfs/dbraw/zinc/07/82/18/1023078218.db2.gz AKRSLMAMWDZKFR-KRWDZBQOSA-N 2 2 313.489 3.937 20 30 DHEDLP C[C@H](CCC#N)C[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000876825337 1033157446 /nfs/dbraw/zinc/15/74/46/1033157446.db2.gz YXQCYNUCPQFOMQ-MRXNPFEDSA-N 2 2 314.477 3.569 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)cc2OC)CC1 ZINC000531719582 1024293387 /nfs/dbraw/zinc/29/33/87/1024293387.db2.gz JLQZIADVJCKSSJ-INIZCTEOSA-N 2 2 302.462 3.695 20 30 DHEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(C)(C)CCC#N ZINC000359881507 1025724761 /nfs/dbraw/zinc/72/47/61/1025724761.db2.gz UKHDQJRSQBHUTE-MRXNPFEDSA-N 2 2 302.466 3.801 20 30 DHEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(C)(C)CCC#N ZINC000359881507 1025724779 /nfs/dbraw/zinc/72/47/79/1025724779.db2.gz UKHDQJRSQBHUTE-MRXNPFEDSA-N 2 2 302.466 3.801 20 30 DHEDLP CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000614175365 1025808994 /nfs/dbraw/zinc/80/89/94/1025808994.db2.gz JNIXVIFHKPVMKO-MRXNPFEDSA-N 2 2 308.429 3.590 20 30 DHEDLP CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000614175365 1025809021 /nfs/dbraw/zinc/80/90/21/1025809021.db2.gz JNIXVIFHKPVMKO-MRXNPFEDSA-N 2 2 308.429 3.590 20 30 DHEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000363641480 1027707227 /nfs/dbraw/zinc/70/72/27/1027707227.db2.gz OJDHYBAMTGFIAF-SFHVURJKSA-N 2 2 308.429 3.543 20 30 DHEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000363641480 1027707247 /nfs/dbraw/zinc/70/72/47/1027707247.db2.gz OJDHYBAMTGFIAF-SFHVURJKSA-N 2 2 308.429 3.543 20 30 DHEDLP C=CCCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000578495158 1028166547 /nfs/dbraw/zinc/16/65/47/1028166547.db2.gz FYSQJGDCLRVQKZ-HKUYNNGSSA-N 2 2 301.478 3.628 20 30 DHEDLP C=CCCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000578495158 1028166555 /nfs/dbraw/zinc/16/65/55/1028166555.db2.gz FYSQJGDCLRVQKZ-HKUYNNGSSA-N 2 2 301.478 3.628 20 30 DHEDLP CC1(C#N)CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000449099324 1028350918 /nfs/dbraw/zinc/35/09/18/1028350918.db2.gz SSDALWWEMLVKKG-UHFFFAOYSA-N 2 2 312.392 3.573 20 30 DHEDLP C[N@H+](CCCCC(C)(C)C#N)C1CCN(c2cccc[nH+]2)CC1 ZINC000368439688 1028355894 /nfs/dbraw/zinc/35/58/94/1028355894.db2.gz XENUSBJOWJYVQE-UHFFFAOYSA-N 2 2 314.477 3.702 20 30 DHEDLP C[N@@H+](CCCCC(C)(C)C#N)C1CCN(c2cccc[nH+]2)CC1 ZINC000368439688 1028355906 /nfs/dbraw/zinc/35/59/06/1028355906.db2.gz XENUSBJOWJYVQE-UHFFFAOYSA-N 2 2 314.477 3.702 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)c(OC)cc2C)CC1 ZINC000273148062 1031277989 /nfs/dbraw/zinc/27/79/89/1031277989.db2.gz GWHIDYHWCPDNSS-INIZCTEOSA-N 2 2 302.462 3.613 20 30 DHEDLP C=CC(C)(C)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000872102657 1031492828 /nfs/dbraw/zinc/49/28/28/1031492828.db2.gz SAWUVJURKGNAKL-HKUYNNGSSA-N 2 2 315.505 3.874 20 30 DHEDLP C=CC(C)(C)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000872102657 1031492832 /nfs/dbraw/zinc/49/28/32/1031492832.db2.gz SAWUVJURKGNAKL-HKUYNNGSSA-N 2 2 315.505 3.874 20 30 DHEDLP Cc1cc(C#N)cc(C)c1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000930129785 1031707349 /nfs/dbraw/zinc/70/73/49/1031707349.db2.gz RTUCCHLCOJGVTM-UHFFFAOYSA-N 2 2 320.440 3.647 20 30 DHEDLP CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001173265341 1033634997 /nfs/dbraw/zinc/63/49/97/1033634997.db2.gz SIBRDCWNXVVGQD-OXJNMPFZSA-N 2 2 311.473 3.691 20 30 DHEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000398000480 1037576745 /nfs/dbraw/zinc/57/67/45/1037576745.db2.gz VRNDYRULILXLTR-KNQAVFIVSA-N 2 2 318.464 3.538 20 30 DHEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000398000480 1037576760 /nfs/dbraw/zinc/57/67/60/1037576760.db2.gz VRNDYRULILXLTR-KNQAVFIVSA-N 2 2 318.464 3.538 20 30 DHEDLP CN(C)c1cc[nH+]cc1C=[NH+]Nc1ccccc1C(F)(F)F ZINC000776183346 1037656998 /nfs/dbraw/zinc/65/69/98/1037656998.db2.gz LGLKKYBBFRKGLB-UHFFFAOYSA-N 2 2 308.307 3.612 20 30 DHEDLP CCCCCCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001201814549 1037901419 /nfs/dbraw/zinc/90/14/19/1037901419.db2.gz PKTLMPWIRITNLR-KDURUIRLSA-N 2 2 315.505 3.806 20 30 DHEDLP CCCCCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001201814549 1037901430 /nfs/dbraw/zinc/90/14/30/1037901430.db2.gz PKTLMPWIRITNLR-KDURUIRLSA-N 2 2 315.505 3.806 20 30 DHEDLP CCCCCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001201814549 1037901448 /nfs/dbraw/zinc/90/14/48/1037901448.db2.gz PKTLMPWIRITNLR-KDURUIRLSA-N 2 2 315.505 3.806 20 30 DHEDLP CCCCCCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001201814549 1037901452 /nfs/dbraw/zinc/90/14/52/1037901452.db2.gz PKTLMPWIRITNLR-KDURUIRLSA-N 2 2 315.505 3.806 20 30 DHEDLP CCCCCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201777283 1037905842 /nfs/dbraw/zinc/90/58/42/1037905842.db2.gz VDLDYWGOMIFOCL-WOJBJXKFSA-N 2 2 315.505 3.806 20 30 DHEDLP CCCCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201777283 1037905853 /nfs/dbraw/zinc/90/58/53/1037905853.db2.gz VDLDYWGOMIFOCL-WOJBJXKFSA-N 2 2 315.505 3.806 20 30 DHEDLP CCCCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201777283 1037905868 /nfs/dbraw/zinc/90/58/68/1037905868.db2.gz VDLDYWGOMIFOCL-WOJBJXKFSA-N 2 2 315.505 3.806 20 30 DHEDLP CCCCCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201777283 1037905879 /nfs/dbraw/zinc/90/58/79/1037905879.db2.gz VDLDYWGOMIFOCL-WOJBJXKFSA-N 2 2 315.505 3.806 20 30 DHEDLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3(C#N)CCCC3)CC2)C1 ZINC000593653076 1039578605 /nfs/dbraw/zinc/57/86/05/1039578605.db2.gz AXNJNHXTQHPHIG-WMZOPIPTSA-N 2 2 303.494 3.703 20 30 DHEDLP CC(C)[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000594992697 1040012504 /nfs/dbraw/zinc/01/25/04/1040012504.db2.gz JHUDQRRRKDBFDO-FQEVSTJZSA-N 2 2 311.473 3.547 20 30 DHEDLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CCC(C#N)CC1)C1CC1 ZINC000602620558 1041118636 /nfs/dbraw/zinc/11/86/36/1041118636.db2.gz MCZXDHYJFDIGJJ-GQOXECLESA-N 2 2 311.473 3.569 20 30 DHEDLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CCC(C#N)CC1)C1CC1 ZINC000602620558 1041118644 /nfs/dbraw/zinc/11/86/44/1041118644.db2.gz MCZXDHYJFDIGJJ-GQOXECLESA-N 2 2 311.473 3.569 20 30 DHEDLP N#C[C@H]1CCC[C@@H]([NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000185754747 333213427 /nfs/dbraw/zinc/21/34/27/333213427.db2.gz FPKHYQYICNKKJA-XHSDSOJGSA-N 2 2 303.475 3.557 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc3ccccc3c2O)CC1 ZINC000185383822 335132544 /nfs/dbraw/zinc/13/25/44/335132544.db2.gz OMGKMJDTFBRJBB-HNNXBMFYSA-N 2 2 310.441 3.846 20 30 DHEDLP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[N@H+](Cc2ccccc2)C1 ZINC000294979743 334215309 /nfs/dbraw/zinc/21/53/09/334215309.db2.gz GKZLWCBYFVCLAJ-ZULIPRJHSA-N 2 2 311.473 3.569 20 30 DHEDLP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000294979743 334215310 /nfs/dbraw/zinc/21/53/10/334215310.db2.gz GKZLWCBYFVCLAJ-ZULIPRJHSA-N 2 2 311.473 3.569 20 30 DHEDLP N#C[C@H]1CCC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000295932122 334228551 /nfs/dbraw/zinc/22/85/51/334228551.db2.gz FSWMINYXUGCESI-KBPBESRZSA-N 2 2 314.820 3.698 20 30 DHEDLP C[C@@H](c1ccco1)[NH+](C)CC#CC[N@@H+](C)[C@@H](C)c1ccco1 ZINC000351614761 336050593 /nfs/dbraw/zinc/05/05/93/336050593.db2.gz IODDCWYMVVIJMO-HOTGVXAUSA-N 2 2 300.402 3.562 20 30 DHEDLP C[C@@H](c1ccco1)[NH+](C)CC#CC[N@H+](C)[C@@H](C)c1ccco1 ZINC000351614761 336050595 /nfs/dbraw/zinc/05/05/95/336050595.db2.gz IODDCWYMVVIJMO-HOTGVXAUSA-N 2 2 300.402 3.562 20 30 DHEDLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329952931 336099304 /nfs/dbraw/zinc/09/93/04/336099304.db2.gz NLWKVDKHMYZNIY-PWUWZPNHSA-N 2 2 318.465 3.513 20 30 DHEDLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329952931 336099305 /nfs/dbraw/zinc/09/93/05/336099305.db2.gz NLWKVDKHMYZNIY-PWUWZPNHSA-N 2 2 318.465 3.513 20 30 DHEDLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000375528685 337012780 /nfs/dbraw/zinc/01/27/80/337012780.db2.gz QYFXZBLHUBVPKA-NHCUHLMSSA-N 2 2 319.452 3.731 20 30 DHEDLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000375528685 337012781 /nfs/dbraw/zinc/01/27/81/337012781.db2.gz QYFXZBLHUBVPKA-NHCUHLMSSA-N 2 2 319.452 3.731 20 30 DHEDLP C=CCC[C@H](CC)[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000378186995 337068050 /nfs/dbraw/zinc/06/80/50/337068050.db2.gz YDEPNVZOOPHOIW-ZVZYQTTQSA-N 2 2 321.534 3.996 20 30 DHEDLP C=CCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000378186995 337068051 /nfs/dbraw/zinc/06/80/51/337068051.db2.gz YDEPNVZOOPHOIW-ZVZYQTTQSA-N 2 2 321.534 3.996 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000177910158 337158831 /nfs/dbraw/zinc/15/88/31/337158831.db2.gz YDNIAVSJNPSVMW-GOSISDBHSA-N 2 2 312.457 3.673 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(F)ccc(F)c2Cl)CC1 ZINC000527655894 337756554 /nfs/dbraw/zinc/75/65/54/337756554.db2.gz ADHJYJLBAJZOTF-UHFFFAOYSA-N 2 2 314.807 3.748 20 30 DHEDLP CC1(C#N)CCC([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000449061538 338589390 /nfs/dbraw/zinc/58/93/90/338589390.db2.gz VYULNVKLFHUVLZ-IOJLRTSASA-N 2 2 311.473 3.886 20 30 DHEDLP C=CC[C@H](C)[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000539688379 340895991 /nfs/dbraw/zinc/89/59/91/340895991.db2.gz GWTXRAUGSMWJDI-HOTGVXAUSA-N 2 2 316.493 3.625 20 30 DHEDLP Cc1cccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000181429560 524430936 /nfs/dbraw/zinc/43/09/36/524430936.db2.gz NGVJQWBLVSRAND-UHFFFAOYSA-N 2 2 319.452 3.621 20 30 DHEDLP C=CCC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655734903 1013674518 /nfs/dbraw/zinc/67/45/18/1013674518.db2.gz PJNVGLSDHIMYEY-WOJBJXKFSA-N 2 2 314.473 3.537 20 30 DHEDLP C=CCC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CC1 ZINC000120066067 1015282721 /nfs/dbraw/zinc/28/27/21/1015282721.db2.gz UXADWTIVSXGONV-IBGZPJMESA-N 2 2 309.457 3.808 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2cc(F)ccc2F)C(C)C)CC1 ZINC000479069956 1033644982 /nfs/dbraw/zinc/64/49/82/1033644982.db2.gz QZCLSGCBKONIGN-GOSISDBHSA-N 2 2 308.416 3.902 20 30 DHEDLP C=CC[NH+]1CCC([NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623407526 1017026198 /nfs/dbraw/zinc/02/61/98/1017026198.db2.gz KBPKPQIUUVBZMI-UHFFFAOYSA-N 2 2 304.381 3.507 20 30 DHEDLP C=CCOc1ccccc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000537632416 1032395059 /nfs/dbraw/zinc/39/50/59/1032395059.db2.gz UCSLYXSKCATKCP-SFHVURJKSA-N 2 2 302.462 3.558 20 30 DHEDLP C=CCOc1ccccc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000537632416 1032395069 /nfs/dbraw/zinc/39/50/69/1032395069.db2.gz UCSLYXSKCATKCP-SFHVURJKSA-N 2 2 302.462 3.558 20 30 DHEDLP C=CCOc1ccccc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000537632416 1032395080 /nfs/dbraw/zinc/39/50/80/1032395080.db2.gz UCSLYXSKCATKCP-SFHVURJKSA-N 2 2 302.462 3.558 20 30 DHEDLP C=CCOc1ccccc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000537632416 1032395098 /nfs/dbraw/zinc/39/50/98/1032395098.db2.gz UCSLYXSKCATKCP-SFHVURJKSA-N 2 2 302.462 3.558 20 30 DHEDLP C=CCOc1ccc(C[N@@H+](CCn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000179466737 1012687192 /nfs/dbraw/zinc/68/71/92/1012687192.db2.gz IPYSCLWRCKLERH-UHFFFAOYSA-N 2 2 313.445 3.749 20 30 DHEDLP C=CCOc1ccc(C[N@H+](CCn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000179466737 1012687196 /nfs/dbraw/zinc/68/71/96/1012687196.db2.gz IPYSCLWRCKLERH-UHFFFAOYSA-N 2 2 313.445 3.749 20 30 DHEDLP C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000282201201 1019616782 /nfs/dbraw/zinc/61/67/82/1019616782.db2.gz GUFGNGOAUGNPMA-GTPINHCMSA-N 2 2 308.429 3.853 20 30 DHEDLP Cc1cc(C#N)cc(C)c1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000929287342 1019937076 /nfs/dbraw/zinc/93/70/76/1019937076.db2.gz NIFUQAWVXITSIM-UHFFFAOYSA-N 2 2 311.473 3.625 20 30 DHEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000390569855 1020209187 /nfs/dbraw/zinc/20/91/87/1020209187.db2.gz BCCZSODZKWCXEA-UWJYYQICSA-N 2 2 319.452 3.873 20 30 DHEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000390569855 1020209198 /nfs/dbraw/zinc/20/91/98/1020209198.db2.gz BCCZSODZKWCXEA-UWJYYQICSA-N 2 2 319.452 3.873 20 30 DHEDLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000390569852 1020209382 /nfs/dbraw/zinc/20/93/82/1020209382.db2.gz BCCZSODZKWCXEA-DYESRHJHSA-N 2 2 319.452 3.873 20 30 DHEDLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000390569852 1020209387 /nfs/dbraw/zinc/20/93/87/1020209387.db2.gz BCCZSODZKWCXEA-DYESRHJHSA-N 2 2 319.452 3.873 20 30 DHEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000283010976 1020378345 /nfs/dbraw/zinc/37/83/45/1020378345.db2.gz OTKUTMHSHYMHMH-IBGZPJMESA-N 2 2 323.440 3.542 20 30 DHEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000283010976 1020378357 /nfs/dbraw/zinc/37/83/57/1020378357.db2.gz OTKUTMHSHYMHMH-IBGZPJMESA-N 2 2 323.440 3.542 20 30 DHEDLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cccc(C#N)c1 ZINC000612185556 1020388821 /nfs/dbraw/zinc/38/88/21/1020388821.db2.gz MBEHCTVVRHMUTK-ZDUSSCGKSA-N 2 2 308.410 3.656 20 30 DHEDLP CC1(C)C[C@H]([NH2+]CC2(C#N)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171964903 1032932608 /nfs/dbraw/zinc/93/26/08/1032932608.db2.gz NIQPSMUYSULQLC-GOSISDBHSA-N 2 2 311.473 3.713 20 30 DHEDLP CC1(C)C[C@H]([NH2+]CC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC001171964903 1032932617 /nfs/dbraw/zinc/93/26/17/1032932617.db2.gz NIQPSMUYSULQLC-GOSISDBHSA-N 2 2 311.473 3.713 20 30 DHEDLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000538394656 1033049999 /nfs/dbraw/zinc/04/99/99/1033049999.db2.gz JLUHOMIYCZIMNY-LJQANCHMSA-N 2 2 313.489 3.937 20 30 DHEDLP Oc1ccc2ccccc2c1/C=[NH+]/CC1CC[NH+](C2CC2)CC1 ZINC000772154663 1023524469 /nfs/dbraw/zinc/52/44/69/1023524469.db2.gz KYPHNBLEFQXCNK-KGENOOAVSA-N 2 2 308.425 3.839 20 30 DHEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000268859452 1024181216 /nfs/dbraw/zinc/18/12/16/1024181216.db2.gz YPAABHVJEGOHHQ-GJZGRUSLSA-N 2 2 319.836 3.754 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269901524 1024327093 /nfs/dbraw/zinc/32/70/93/1024327093.db2.gz ZEDWOOWWWBTNTM-KRWDZBQOSA-N 2 2 306.400 3.582 20 30 DHEDLP C#CCCCCCC[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000877066075 1033225416 /nfs/dbraw/zinc/22/54/16/1033225416.db2.gz CCJAGGKTJCJXMN-IBGZPJMESA-N 2 2 309.457 3.877 20 30 DHEDLP CC[N@H+](CCn1cc[nH+]c1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170399216 1024764436 /nfs/dbraw/zinc/76/44/36/1024764436.db2.gz ZXPGTAFGFNUHEI-UHFFFAOYSA-N 2 2 322.456 3.609 20 30 DHEDLP CC[N@@H+](CCn1cc[nH+]c1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170399216 1024764448 /nfs/dbraw/zinc/76/44/48/1024764448.db2.gz ZXPGTAFGFNUHEI-UHFFFAOYSA-N 2 2 322.456 3.609 20 30 DHEDLP C[C@@]1(C[NH2+]Cc2cccc(C#N)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000397904711 1026279651 /nfs/dbraw/zinc/27/96/51/1026279651.db2.gz DGAXEZCLWANTSU-NRFANRHFSA-N 2 2 319.452 3.703 20 30 DHEDLP C[C@@]1(C[NH2+]Cc2cccc(C#N)c2)CCC[N@H+]1Cc1ccccc1 ZINC000397904711 1026279660 /nfs/dbraw/zinc/27/96/60/1026279660.db2.gz DGAXEZCLWANTSU-NRFANRHFSA-N 2 2 319.452 3.703 20 30 DHEDLP C#Cc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000809568925 1026552327 /nfs/dbraw/zinc/55/23/27/1026552327.db2.gz ZILBHFWPHYVHID-UHFFFAOYSA-N 2 2 318.464 3.764 20 30 DHEDLP C#Cc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000809568925 1026552331 /nfs/dbraw/zinc/55/23/31/1026552331.db2.gz ZILBHFWPHYVHID-UHFFFAOYSA-N 2 2 318.464 3.764 20 30 DHEDLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C[C@H]1c1ccccc1 ZINC000421891018 1027079985 /nfs/dbraw/zinc/07/99/85/1027079985.db2.gz VSMIEMYVYCORKO-QAPCUYQASA-N 2 2 311.454 3.545 20 30 DHEDLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C[C@H]1c1ccccc1 ZINC000421891018 1027079996 /nfs/dbraw/zinc/07/99/96/1027079996.db2.gz VSMIEMYVYCORKO-QAPCUYQASA-N 2 2 311.454 3.545 20 30 DHEDLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367785725 1028238955 /nfs/dbraw/zinc/23/89/55/1028238955.db2.gz WIJMRPXQFUWUDN-MRXNPFEDSA-N 2 2 316.408 3.773 20 30 DHEDLP C=CCCCCC[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000373240504 1028984535 /nfs/dbraw/zinc/98/45/35/1028984535.db2.gz DDKVZRCZCUWEOC-UHFFFAOYSA-N 2 2 315.505 3.767 20 30 DHEDLP C=CCCCCC[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000373240504 1028984548 /nfs/dbraw/zinc/98/45/48/1028984548.db2.gz DDKVZRCZCUWEOC-UHFFFAOYSA-N 2 2 315.505 3.767 20 30 DHEDLP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C1CC1 ZINC000245981380 1030230698 /nfs/dbraw/zinc/23/06/98/1030230698.db2.gz YMCYTDSFSHNNCU-AHRSYUTCSA-N 2 2 313.489 3.626 20 30 DHEDLP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CC1 ZINC000245981380 1030230711 /nfs/dbraw/zinc/23/07/11/1030230711.db2.gz YMCYTDSFSHNNCU-AHRSYUTCSA-N 2 2 313.489 3.626 20 30 DHEDLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(C#N)cc1F ZINC000358580464 1030544553 /nfs/dbraw/zinc/54/45/53/1030544553.db2.gz XVYBLNOSKSRTHE-AWEZNQCLSA-N 2 2 320.371 3.734 20 30 DHEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000360646333 1031503026 /nfs/dbraw/zinc/50/30/26/1031503026.db2.gz HTCXZHAHCFUHRE-IBGZPJMESA-N 2 2 320.440 3.813 20 30 DHEDLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC1CCC(C#N)CC1 ZINC000930090035 1031697433 /nfs/dbraw/zinc/69/74/33/1031697433.db2.gz KRAASGNATQYGNY-UHFFFAOYSA-N 2 2 313.489 3.817 20 30 DHEDLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC1CCC(C#N)CC1 ZINC000930090035 1031697440 /nfs/dbraw/zinc/69/74/40/1031697440.db2.gz KRAASGNATQYGNY-UHFFFAOYSA-N 2 2 313.489 3.817 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC4(CC4)C3)CC2)cc1 ZINC000897771943 1031823591 /nfs/dbraw/zinc/82/35/91/1031823591.db2.gz ITYLMQGFGPAKAD-HXUWFJFHSA-N 2 2 323.484 3.835 20 30 DHEDLP CC(C)(C#N)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000903101389 1035280873 /nfs/dbraw/zinc/28/08/73/1035280873.db2.gz GVPMCZANISAZRK-IPMKNSEASA-N 2 2 311.473 3.569 20 30 DHEDLP CC(C)(C#N)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000903101389 1035280880 /nfs/dbraw/zinc/28/08/80/1035280880.db2.gz GVPMCZANISAZRK-IPMKNSEASA-N 2 2 311.473 3.569 20 30 DHEDLP Cc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccc1C#N ZINC001178408908 1035427857 /nfs/dbraw/zinc/42/78/57/1035427857.db2.gz JAJYXJMZNOXBEH-INIZCTEOSA-N 2 2 316.408 3.903 20 30 DHEDLP CCC(C)(C)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001179332828 1035475016 /nfs/dbraw/zinc/47/50/16/1035475016.db2.gz GXXQALPSERQUIG-UHFFFAOYSA-N 2 2 313.489 3.939 20 30 DHEDLP C=CC[C@@H](C)[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000539688376 1035826330 /nfs/dbraw/zinc/82/63/30/1035826330.db2.gz GWTXRAUGSMWJDI-CVEARBPZSA-N 2 2 316.493 3.625 20 30 DHEDLP CCCCCCC[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001201762300 1037885247 /nfs/dbraw/zinc/88/52/47/1037885247.db2.gz DZMSFKRSJSBKPZ-UHFFFAOYSA-N 2 2 320.525 3.854 20 30 DHEDLP CCCCCCC[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001201762300 1037885254 /nfs/dbraw/zinc/88/52/54/1037885254.db2.gz DZMSFKRSJSBKPZ-UHFFFAOYSA-N 2 2 320.525 3.854 20 30 DHEDLP N#Cc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491057343 1037900928 /nfs/dbraw/zinc/90/09/28/1037900928.db2.gz LFJRVOZVJBSCNY-HXUWFJFHSA-N 2 2 311.473 3.646 20 30 DHEDLP N#Cc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491057343 1037900941 /nfs/dbraw/zinc/90/09/41/1037900941.db2.gz LFJRVOZVJBSCNY-HXUWFJFHSA-N 2 2 311.473 3.646 20 30 DHEDLP CC1(C#N)CCC([NH2+]CCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000572710408 1038494015 /nfs/dbraw/zinc/49/40/15/1038494015.db2.gz BGBZYHPJMLLZMD-UHFFFAOYSA-N 2 2 322.456 3.536 20 30 DHEDLP CC1(C)C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000590656400 1038687319 /nfs/dbraw/zinc/68/73/19/1038687319.db2.gz ONPREMREVPXETE-WDSOQIARSA-N 2 2 311.473 3.711 20 30 DHEDLP CC1(C)C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[N@H+]1Cc1ccccc1 ZINC000590656400 1038687325 /nfs/dbraw/zinc/68/73/25/1038687325.db2.gz ONPREMREVPXETE-WDSOQIARSA-N 2 2 311.473 3.711 20 30 DHEDLP Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1C#N ZINC000599431510 1039161327 /nfs/dbraw/zinc/16/13/27/1039161327.db2.gz IUATUFNUAALNRV-UHFFFAOYSA-N 2 2 319.452 3.621 20 30 DHEDLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2(C#N)CCCC2)CC1 ZINC000593653242 1039581778 /nfs/dbraw/zinc/58/17/78/1039581778.db2.gz GINVYQZIKJZYPR-WMZOPIPTSA-N 2 2 303.494 3.703 20 30 DHEDLP CC[N@H+](C[C@@H](C)CCC#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000602478797 1041050916 /nfs/dbraw/zinc/05/09/16/1041050916.db2.gz UZQQPNJFCWAFFX-KRWDZBQOSA-N 2 2 314.477 3.560 20 30 DHEDLP CC[N@@H+](C[C@@H](C)CCC#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000602478797 1041050925 /nfs/dbraw/zinc/05/09/25/1041050925.db2.gz UZQQPNJFCWAFFX-KRWDZBQOSA-N 2 2 314.477 3.560 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CCc2ccc(F)cc2F)CC1 ZINC000569464037 332094592 /nfs/dbraw/zinc/09/45/92/332094592.db2.gz VAIJOCMQJJSVKZ-CQSZACIVSA-N 2 2 308.416 3.526 20 30 DHEDLP C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000582085798 333206233 /nfs/dbraw/zinc/20/62/33/333206233.db2.gz WRCYLUHRWFNERL-INIZCTEOSA-N 2 2 316.408 3.789 20 30 DHEDLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(C#N)cc1 ZINC000344137738 335220918 /nfs/dbraw/zinc/22/09/18/335220918.db2.gz WRHXJPRLRPFXAJ-CYBMUJFWSA-N 2 2 308.410 3.656 20 30 DHEDLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)CC1 ZINC000352796549 336237578 /nfs/dbraw/zinc/23/75/78/336237578.db2.gz GPHIFXWHUOJAEG-FQEVSTJZSA-N 2 2 311.473 3.502 20 30 DHEDLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)CC1 ZINC000352796549 336237579 /nfs/dbraw/zinc/23/75/79/336237579.db2.gz GPHIFXWHUOJAEG-FQEVSTJZSA-N 2 2 311.473 3.502 20 30 DHEDLP N#CCCC[C@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000353914933 336447952 /nfs/dbraw/zinc/44/79/52/336447952.db2.gz LWWWZCYENWAZSC-SFHVURJKSA-N 2 2 304.397 3.859 20 30 DHEDLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(C#N)cc1F ZINC000358555377 336634423 /nfs/dbraw/zinc/63/44/23/336634423.db2.gz KVOLSTDSQQCTBH-CQSZACIVSA-N 2 2 320.371 3.734 20 30 DHEDLP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1ccc(C#N)cc1Cl ZINC000375740491 337018366 /nfs/dbraw/zinc/01/83/66/337018366.db2.gz FZKHBTJWFHYBMW-GXTWGEPZSA-N 2 2 314.820 3.636 20 30 DHEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000377392663 337051793 /nfs/dbraw/zinc/05/17/93/337051793.db2.gz PZYNQMYTCGPWHK-CKVGWXAMSA-N 2 2 311.473 3.741 20 30 DHEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000377392663 337051794 /nfs/dbraw/zinc/05/17/94/337051794.db2.gz PZYNQMYTCGPWHK-CKVGWXAMSA-N 2 2 311.473 3.741 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000177912499 337158828 /nfs/dbraw/zinc/15/88/28/337158828.db2.gz BMQQYXJQEMSJJX-ZDUSSCGKSA-N 2 2 308.853 3.650 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000177908076 337158858 /nfs/dbraw/zinc/15/88/58/337158858.db2.gz CZIFBRFRZUIBLZ-CYBMUJFWSA-N 2 2 310.388 3.589 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000177912520 337158912 /nfs/dbraw/zinc/15/89/12/337158912.db2.gz BMQQYXJQEMSJJX-CYBMUJFWSA-N 2 2 308.853 3.650 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc3ccccc3n2)CC1 ZINC000177917372 337158936 /nfs/dbraw/zinc/15/89/36/337158936.db2.gz AIEHPFPYUVOCIN-INIZCTEOSA-N 2 2 309.457 3.926 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527859299 337769577 /nfs/dbraw/zinc/76/95/77/337769577.db2.gz PPNWMDGCJQRSQL-KRWDZBQOSA-N 2 2 308.828 3.706 20 30 DHEDLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)CC(C)(C)C#N ZINC000433303383 338190726 /nfs/dbraw/zinc/19/07/26/338190726.db2.gz HZTOJOZPMKPNEZ-UHFFFAOYSA-N 2 2 312.461 3.997 20 30 DHEDLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C)CC(C)(C)C#N ZINC000433303383 338190727 /nfs/dbraw/zinc/19/07/27/338190727.db2.gz HZTOJOZPMKPNEZ-UHFFFAOYSA-N 2 2 312.461 3.997 20 30 DHEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000439437666 338369410 /nfs/dbraw/zinc/36/94/10/338369410.db2.gz IFZNGYJOLVYHLR-CZUORRHYSA-N 2 2 305.853 3.516 20 30 DHEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000439437666 338369411 /nfs/dbraw/zinc/36/94/11/338369411.db2.gz IFZNGYJOLVYHLR-CZUORRHYSA-N 2 2 305.853 3.516 20 30 DHEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000439437666 338369412 /nfs/dbraw/zinc/36/94/12/338369412.db2.gz IFZNGYJOLVYHLR-CZUORRHYSA-N 2 2 305.853 3.516 20 30 DHEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000439437666 338369413 /nfs/dbraw/zinc/36/94/13/338369413.db2.gz IFZNGYJOLVYHLR-CZUORRHYSA-N 2 2 305.853 3.516 20 30 DHEDLP CC1CC[NH+]([C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)c2cccs2)CC1 ZINC000442633749 338426413 /nfs/dbraw/zinc/42/64/13/338426413.db2.gz KYKWDKROFLFNED-IXDOHACOSA-N 2 2 317.502 3.803 20 30 DHEDLP CCc1ccc([C@@H](C[NH2+]C2CCC(C)(C#N)CC2)[NH+](C)C)cc1 ZINC000449059371 338589307 /nfs/dbraw/zinc/58/93/07/338589307.db2.gz AAMBBZVMGSBLHR-IOJLRTSASA-N 2 2 313.489 3.914 20 30 DHEDLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000466424442 339204267 /nfs/dbraw/zinc/20/42/67/339204267.db2.gz HXVKDSOZGBMUTK-UWJYYQICSA-N 2 2 319.452 3.526 20 30 DHEDLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000466424442 339204268 /nfs/dbraw/zinc/20/42/68/339204268.db2.gz HXVKDSOZGBMUTK-UWJYYQICSA-N 2 2 319.452 3.526 20 30 DHEDLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C[N@H+](Cc2ccccc2)C1 ZINC000468363598 339260755 /nfs/dbraw/zinc/26/07/55/339260755.db2.gz VENJSVIUPUAYPT-UTKZUKDTSA-N 2 2 319.452 3.558 20 30 DHEDLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000468363598 339260756 /nfs/dbraw/zinc/26/07/56/339260756.db2.gz VENJSVIUPUAYPT-UTKZUKDTSA-N 2 2 319.452 3.558 20 30 DHEDLP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000512667450 340372018 /nfs/dbraw/zinc/37/20/18/340372018.db2.gz POUPJGDGFNQNFD-OAHLLOKOSA-N 2 2 305.441 3.857 20 30 DHEDLP CC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000181943023 520730721 /nfs/dbraw/zinc/73/07/21/520730721.db2.gz LBMLYQNOXBSWFQ-UHFFFAOYSA-N 2 2 311.473 3.693 20 30 DHEDLP CC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000364800829 522882539 /nfs/dbraw/zinc/88/25/39/522882539.db2.gz UGMDPLROIYAWRS-LJQANCHMSA-N 2 2 316.408 3.985 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000180489485 1013094924 /nfs/dbraw/zinc/09/49/24/1013094924.db2.gz GIGZRQUHASNPSQ-QGZVFWFLSA-N 2 2 323.484 3.574 20 30 DHEDLP C=CCC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655734902 1013675009 /nfs/dbraw/zinc/67/50/09/1013675009.db2.gz PJNVGLSDHIMYEY-VQTJNVASSA-N 2 2 314.473 3.537 20 30 DHEDLP CC1(C#N)CCC(N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000895114055 1014446635 /nfs/dbraw/zinc/44/66/35/1014446635.db2.gz ZDEOWXCLSKWFLG-CSGOCMEYSA-N 2 2 312.461 3.630 20 30 DHEDLP C=CC[N@@H+](Cc1ncc(C[NH+](C)C)s1)CC1CCCCC1 ZINC000347873276 1014793603 /nfs/dbraw/zinc/79/36/03/1014793603.db2.gz UEBCFGSWBXXCCO-UHFFFAOYSA-N 2 2 307.507 3.773 20 30 DHEDLP C=CC[N@H+](Cc1ncc(C[NH+](C)C)s1)CC1CCCCC1 ZINC000347873276 1014793618 /nfs/dbraw/zinc/79/36/18/1014793618.db2.gz UEBCFGSWBXXCCO-UHFFFAOYSA-N 2 2 307.507 3.773 20 30 DHEDLP C=CCOc1ccccc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000537632415 1032395609 /nfs/dbraw/zinc/39/56/09/1032395609.db2.gz UCSLYXSKCATKCP-GOSISDBHSA-N 2 2 302.462 3.558 20 30 DHEDLP C=CCOc1ccccc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000537632415 1032395620 /nfs/dbraw/zinc/39/56/20/1032395620.db2.gz UCSLYXSKCATKCP-GOSISDBHSA-N 2 2 302.462 3.558 20 30 DHEDLP C=CCOc1ccccc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000537632415 1032395626 /nfs/dbraw/zinc/39/56/26/1032395626.db2.gz UCSLYXSKCATKCP-GOSISDBHSA-N 2 2 302.462 3.558 20 30 DHEDLP C=CCOc1ccccc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000537632415 1032395598 /nfs/dbraw/zinc/39/55/98/1032395598.db2.gz UCSLYXSKCATKCP-GOSISDBHSA-N 2 2 302.462 3.558 20 30 DHEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000764619099 1018335703 /nfs/dbraw/zinc/33/57/03/1018335703.db2.gz WLHMBIASGDOEBM-HNNXBMFYSA-N 2 2 308.853 3.564 20 30 DHEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)o1 ZINC000289840682 1019278118 /nfs/dbraw/zinc/27/81/18/1019278118.db2.gz OXTXGQNFCPIWHP-SFHVURJKSA-N 2 2 323.440 3.543 20 30 DHEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000289840682 1019278125 /nfs/dbraw/zinc/27/81/25/1019278125.db2.gz OXTXGQNFCPIWHP-SFHVURJKSA-N 2 2 323.440 3.543 20 30 DHEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000611391877 1019465041 /nfs/dbraw/zinc/46/50/41/1019465041.db2.gz CMPIXAPGQMZBLE-IBGZPJMESA-N 2 2 320.440 3.813 20 30 DHEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000657878170 1019730153 /nfs/dbraw/zinc/73/01/53/1019730153.db2.gz FLJDJDCUZPPGMY-FUHWJXTLSA-N 2 2 308.510 3.600 20 30 DHEDLP C=C1CCC(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000922711891 1020232798 /nfs/dbraw/zinc/23/27/98/1020232798.db2.gz QAVFMYZTKCKVKQ-UHFFFAOYSA-N 2 2 304.400 3.739 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000177910558 1020595426 /nfs/dbraw/zinc/59/54/26/1020595426.db2.gz CSKDFERTEPAKBX-INIZCTEOSA-N 2 2 306.450 3.603 20 30 DHEDLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C#N)cc1 ZINC000181479661 1021200207 /nfs/dbraw/zinc/20/02/07/1021200207.db2.gz XWTHZAGKERSABZ-INIZCTEOSA-N 2 2 316.408 3.654 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccccc2OC(F)F)CC1 ZINC000152984144 1021910636 /nfs/dbraw/zinc/91/06/36/1021910636.db2.gz GHIRGBCCNQWTHN-AWEZNQCLSA-N 2 2 324.415 3.979 20 30 DHEDLP CC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccc(C#N)cc1 ZINC000365731825 1021966465 /nfs/dbraw/zinc/96/64/65/1021966465.db2.gz CWAORUIZPRZDSY-ROUUACIJSA-N 2 2 308.429 3.682 20 30 DHEDLP C=CCOc1ccc(C[N@@H+](C)C2CC[NH+](CC)CC2)cc1Cl ZINC000125200103 1023467325 /nfs/dbraw/zinc/46/73/25/1023467325.db2.gz LWKZGQDYLWGUAP-UHFFFAOYSA-N 2 2 322.880 3.821 20 30 DHEDLP C=CCOc1ccc(C[N@H+](C)C2CC[NH+](CC)CC2)cc1Cl ZINC000125200103 1023467328 /nfs/dbraw/zinc/46/73/28/1023467328.db2.gz LWKZGQDYLWGUAP-UHFFFAOYSA-N 2 2 322.880 3.821 20 30 DHEDLP Oc1ccc2ccccc2c1/C=[NH+]\CC1CC[NH+](C2CC2)CC1 ZINC000772154664 1023524226 /nfs/dbraw/zinc/52/42/26/1023524226.db2.gz KYPHNBLEFQXCNK-STZFKDTASA-N 2 2 308.425 3.839 20 30 DHEDLP C=C(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)c(F)c1 ZINC000893667913 1024893417 /nfs/dbraw/zinc/89/34/17/1024893417.db2.gz GDORJJNODNSWQM-MUSFGAPCSA-N 2 2 306.400 3.797 20 30 DHEDLP C=C(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)c(F)c1 ZINC000893667913 1024893456 /nfs/dbraw/zinc/89/34/56/1024893456.db2.gz GDORJJNODNSWQM-MUSFGAPCSA-N 2 2 306.400 3.797 20 30 DHEDLP C#CCCCCCC[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000877115961 1033243700 /nfs/dbraw/zinc/24/37/00/1033243700.db2.gz XWRLUSPTKQYDCO-GOSISDBHSA-N 2 2 313.489 3.780 20 30 DHEDLP C=CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655734900 1025038351 /nfs/dbraw/zinc/03/83/51/1025038351.db2.gz PJNVGLSDHIMYEY-PMACEKPBSA-N 2 2 314.473 3.537 20 30 DHEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000810212837 1026707461 /nfs/dbraw/zinc/70/74/61/1026707461.db2.gz ZICSDVUFLYMDSH-HXUWFJFHSA-N 2 2 314.392 3.521 20 30 DHEDLP CC1(C)[C@@H]2C[C@H]([NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)C[C@@H]21 ZINC001170715880 1027763199 /nfs/dbraw/zinc/76/31/99/1027763199.db2.gz MIQKIBGNWZEGDX-ACDBMABISA-N 2 2 323.484 3.547 20 30 DHEDLP CC[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(C#N)cc1 ZINC000569660902 1029244631 /nfs/dbraw/zinc/24/46/31/1029244631.db2.gz IPTRUVBXLRRYRO-FQEVSTJZSA-N 2 2 316.408 3.985 20 30 DHEDLP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866259126 1030185603 /nfs/dbraw/zinc/18/56/03/1030185603.db2.gz HYXBLKGPRYAEQR-HNNXBMFYSA-N 2 2 323.440 3.566 20 30 DHEDLP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866259126 1030185613 /nfs/dbraw/zinc/18/56/13/1030185613.db2.gz HYXBLKGPRYAEQR-HNNXBMFYSA-N 2 2 323.440 3.566 20 30 DHEDLP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cccc(C#N)c1O ZINC000866265244 1030188801 /nfs/dbraw/zinc/18/88/01/1030188801.db2.gz JLDORKGOVIIQIT-MRXNPFEDSA-N 2 2 315.461 3.571 20 30 DHEDLP CCC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000271828783 1036552402 /nfs/dbraw/zinc/55/24/02/1036552402.db2.gz DOQJNVVBIMILCO-UHFFFAOYSA-N 2 2 311.473 3.693 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000177906599 1037282478 /nfs/dbraw/zinc/28/24/78/1037282478.db2.gz WTAGHFGGOUXZSE-CQSZACIVSA-N 2 2 324.415 3.897 20 30 DHEDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000589266839 1038456527 /nfs/dbraw/zinc/45/65/27/1038456527.db2.gz SZFLPYDHJJCSMR-UHFFFAOYSA-N 2 2 321.424 3.614 20 30 DHEDLP N#CC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCC1 ZINC000593654315 1039579392 /nfs/dbraw/zinc/57/93/92/1039579392.db2.gz VPNVYWBABITEQY-IBGZPJMESA-N 2 2 323.484 3.857 20 30 DHEDLP N#CC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCC1 ZINC000593654315 1039579405 /nfs/dbraw/zinc/57/94/05/1039579405.db2.gz VPNVYWBABITEQY-IBGZPJMESA-N 2 2 323.484 3.857 20 30 DHEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594519912 1039824705 /nfs/dbraw/zinc/82/47/05/1039824705.db2.gz MPWWGEMIENNASH-UFYCRDLUSA-N 2 2 309.457 3.542 20 30 DHEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594519912 1039824726 /nfs/dbraw/zinc/82/47/26/1039824726.db2.gz MPWWGEMIENNASH-UFYCRDLUSA-N 2 2 309.457 3.542 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000594975105 1039948645 /nfs/dbraw/zinc/94/86/45/1039948645.db2.gz QAAVVGNLVJUIRR-DYXWJJEUSA-N 2 2 323.484 3.548 20 30 DHEDLP CC[NH+](CC)[C@@H](C[NH2+]C1CCC(C#N)CC1)Cc1ccccc1 ZINC000602510457 1041078432 /nfs/dbraw/zinc/07/84/32/1041078432.db2.gz VPQJEKYDTZRBRL-SOAGJPPSSA-N 2 2 313.489 3.611 20 30 DHEDLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C2CCC(C#N)CC2)CCC1 ZINC000602676472 1041141747 /nfs/dbraw/zinc/14/17/47/1041141747.db2.gz QLLPKMQWQRUEPE-UHFFFAOYSA-N 2 2 311.473 3.713 20 30 DHEDLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C2CCC(C#N)CC2)CCC1 ZINC000602676472 1041141758 /nfs/dbraw/zinc/14/17/58/1041141758.db2.gz QLLPKMQWQRUEPE-UHFFFAOYSA-N 2 2 311.473 3.713 20 30 DHEDLP CCC1([NH+]2CCCC2)CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000602950936 1041320146 /nfs/dbraw/zinc/32/01/46/1041320146.db2.gz QNACYOWMZBADDS-KRWDZBQOSA-N 2 2 311.473 3.960 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccnc(Cl)c2Cl)CC1 ZINC000290904652 335077200 /nfs/dbraw/zinc/07/72/00/335077200.db2.gz OIVYKBANTBAKQF-UHFFFAOYSA-N 2 2 314.260 3.519 20 30 DHEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000151159692 332200769 /nfs/dbraw/zinc/20/07/69/332200769.db2.gz NNDARUPKFXYFQB-HNNXBMFYSA-N 2 2 319.836 3.755 20 30 DHEDLP CCc1ccc([C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)[NH+](CC)CC)cc1 ZINC000559871909 332287754 /nfs/dbraw/zinc/28/77/54/332287754.db2.gz QOUTUYMZXUJNQJ-HOJAQTOUSA-N 2 2 313.489 3.914 20 30 DHEDLP Cc1ccccc1[C@@H]([C@H](C)[NH2+]Cc1ccc(C#N)c(C)c1)[NH+](C)C ZINC000443993075 338465901 /nfs/dbraw/zinc/46/59/01/338465901.db2.gz IRTZQCIYMQSNFY-LAUBAEHRSA-N 2 2 321.468 3.956 20 30 DHEDLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(C#N)c(F)c1 ZINC000346137724 335379966 /nfs/dbraw/zinc/37/99/66/335379966.db2.gz MEVSEVSTYANIAR-AWEZNQCLSA-N 2 2 320.371 3.734 20 30 DHEDLP C=C(C)C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnn(C(C)C)c1 ZINC000352904970 336375615 /nfs/dbraw/zinc/37/56/15/336375615.db2.gz WOCMMPCOTWIDKN-LJQANCHMSA-N 2 2 318.509 3.717 20 30 DHEDLP C=C(C)C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnn(C(C)C)c1 ZINC000352904970 336375616 /nfs/dbraw/zinc/37/56/16/336375616.db2.gz WOCMMPCOTWIDKN-LJQANCHMSA-N 2 2 318.509 3.717 20 30 DHEDLP C=C(C)C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cnn(C(C)C)c1 ZINC000352904970 336375617 /nfs/dbraw/zinc/37/56/17/336375617.db2.gz WOCMMPCOTWIDKN-LJQANCHMSA-N 2 2 318.509 3.717 20 30 DHEDLP C=C(C)C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cnn(C(C)C)c1 ZINC000352904970 336375618 /nfs/dbraw/zinc/37/56/18/336375618.db2.gz WOCMMPCOTWIDKN-LJQANCHMSA-N 2 2 318.509 3.717 20 30 DHEDLP C=CCCCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000359314231 336667263 /nfs/dbraw/zinc/66/72/63/336667263.db2.gz QYHURNMYMLTJQR-KRWDZBQOSA-N 2 2 301.478 3.771 20 30 DHEDLP C=CCC[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccco1 ZINC000375788509 337019708 /nfs/dbraw/zinc/01/97/08/337019708.db2.gz IXAXGPQSOYHHKM-INIZCTEOSA-N 2 2 308.385 3.657 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000177910173 337158825 /nfs/dbraw/zinc/15/88/25/337158825.db2.gz YDNIAVSJNPSVMW-SFHVURJKSA-N 2 2 312.457 3.673 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccccc2OC(F)F)CC1 ZINC000177908008 337158841 /nfs/dbraw/zinc/15/88/41/337158841.db2.gz BIDMZCGLIOLRDA-CYBMUJFWSA-N 2 2 310.388 3.589 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000177906264 337159071 /nfs/dbraw/zinc/15/90/71/337159071.db2.gz ZZMYYSTUAMSSIN-QGZVFWFLSA-N 2 2 320.864 3.794 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCOc3c(C)cc(C)cc32)CC1 ZINC000177911761 337159113 /nfs/dbraw/zinc/15/91/13/337159113.db2.gz MBXVNTLQPUUMPO-IBGZPJMESA-N 2 2 314.473 3.757 20 30 DHEDLP C=CCCCCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000193372930 337310326 /nfs/dbraw/zinc/31/03/26/337310326.db2.gz GQCWQCQRQHZDQF-UHFFFAOYSA-N 2 2 315.505 3.767 20 30 DHEDLP C=CCCCCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000193372930 337310327 /nfs/dbraw/zinc/31/03/27/337310327.db2.gz GQCWQCQRQHZDQF-UHFFFAOYSA-N 2 2 315.505 3.767 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000583841993 337340608 /nfs/dbraw/zinc/34/06/08/337340608.db2.gz WTBMBQCQWXGAHJ-UHFFFAOYSA-N 2 2 318.408 3.897 20 30 DHEDLP CC1CC[NH+]([C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)c2ccccc2)CC1 ZINC000442723370 338429098 /nfs/dbraw/zinc/42/90/98/338429098.db2.gz WZOLQIHDODQWOC-DFQSSKMNSA-N 2 2 311.473 3.741 20 30 DHEDLP CC[N@H+](C[C@@H](C)C#N)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000509776173 340278864 /nfs/dbraw/zinc/27/88/64/340278864.db2.gz XKLLMKBGUZCOAS-KRWDZBQOSA-N 2 2 301.478 3.626 20 30 DHEDLP CC[N@@H+](C[C@@H](C)C#N)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000509776173 340278865 /nfs/dbraw/zinc/27/88/65/340278865.db2.gz XKLLMKBGUZCOAS-KRWDZBQOSA-N 2 2 301.478 3.626 20 30 DHEDLP CC[NH+](C[C@@H](C)C#N)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000509776173 340278866 /nfs/dbraw/zinc/27/88/66/340278866.db2.gz XKLLMKBGUZCOAS-KRWDZBQOSA-N 2 2 301.478 3.626 20 30 DHEDLP CC[NH+](C[C@@H](C)C#N)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000509776173 340278867 /nfs/dbraw/zinc/27/88/67/340278867.db2.gz XKLLMKBGUZCOAS-KRWDZBQOSA-N 2 2 301.478 3.626 20 30 DHEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)s1 ZINC000131092426 341059426 /nfs/dbraw/zinc/05/94/26/341059426.db2.gz HCMQYHDOHQUILB-MRXNPFEDSA-N 2 2 317.502 3.708 20 30 DHEDLP N#Cc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)s1 ZINC000131092426 341059427 /nfs/dbraw/zinc/05/94/27/341059427.db2.gz HCMQYHDOHQUILB-MRXNPFEDSA-N 2 2 317.502 3.708 20 30 DHEDLP Clc1cccc(C#CC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000131323351 341076233 /nfs/dbraw/zinc/07/62/33/341076233.db2.gz GLPXPUCZDSINBP-LJQANCHMSA-N 2 2 316.876 3.642 20 30 DHEDLP Clc1cccc(C#CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000131323351 341076234 /nfs/dbraw/zinc/07/62/34/341076234.db2.gz GLPXPUCZDSINBP-LJQANCHMSA-N 2 2 316.876 3.642 20 30 DHEDLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc(C#N)c1 ZINC000246874939 341358130 /nfs/dbraw/zinc/35/81/30/341358130.db2.gz DECDNSUFNRNPBY-LLGFUMIMSA-N 2 2 319.452 3.729 20 30 DHEDLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc(C#N)c1 ZINC000246874939 341358131 /nfs/dbraw/zinc/35/81/31/341358131.db2.gz DECDNSUFNRNPBY-LLGFUMIMSA-N 2 2 319.452 3.729 20 30 DHEDLP C=CC[NH+]1CCC(Nc2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000553408257 341428234 /nfs/dbraw/zinc/42/82/34/341428234.db2.gz VYRCUPHOHGIUMJ-UHFFFAOYSA-N 2 2 301.821 3.951 20 30 DHEDLP C=CCCCCCCCC[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001209444032 1013292525 /nfs/dbraw/zinc/29/25/25/1013292525.db2.gz LFUHLNZNDIPGSK-UHFFFAOYSA-N 2 2 310.526 3.946 20 30 DHEDLP C=CCCCCCCCC[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001209444032 1013292534 /nfs/dbraw/zinc/29/25/34/1013292534.db2.gz LFUHLNZNDIPGSK-UHFFFAOYSA-N 2 2 310.526 3.946 20 30 DHEDLP C[C@@H]1CC([NH2+]CC2(C#N)CCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168009210 1014484772 /nfs/dbraw/zinc/48/47/72/1014484772.db2.gz ZGVQFDMWFNBWGY-IAGOWNOFSA-N 2 2 311.473 3.711 20 30 DHEDLP N#C[C@H]1CCC[C@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000442892201 1014766825 /nfs/dbraw/zinc/76/68/25/1014766825.db2.gz USHSLIXUXQXYLF-ROUUACIJSA-N 2 2 303.494 3.705 20 30 DHEDLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc(C#N)c2)C1 ZINC000072974667 1017054186 /nfs/dbraw/zinc/05/41/86/1017054186.db2.gz VHKAYKARLDVWHF-FXAWDEMLSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc(C#N)c2)C1 ZINC000072974667 1017054197 /nfs/dbraw/zinc/05/41/97/1017054197.db2.gz VHKAYKARLDVWHF-FXAWDEMLSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000072974667 1017054212 /nfs/dbraw/zinc/05/42/12/1017054212.db2.gz VHKAYKARLDVWHF-FXAWDEMLSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000072974667 1017054224 /nfs/dbraw/zinc/05/42/24/1017054224.db2.gz VHKAYKARLDVWHF-FXAWDEMLSA-N 2 2 311.473 3.645 20 30 DHEDLP CC(C)(CCC#N)C[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000121797135 1032480373 /nfs/dbraw/zinc/48/03/73/1032480373.db2.gz ROZXKBKIFPRYSD-FQEVSTJZSA-N 2 2 313.489 3.961 20 30 DHEDLP CC(C)(CCC#N)C[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000121797135 1032480379 /nfs/dbraw/zinc/48/03/79/1032480379.db2.gz ROZXKBKIFPRYSD-FQEVSTJZSA-N 2 2 313.489 3.961 20 30 DHEDLP C=CC[N@H+]1CCC[C@H]1c1ccc(NCc2cc[nH+]c(N)c2)cc1 ZINC001167618334 1017625174 /nfs/dbraw/zinc/62/51/74/1017625174.db2.gz HELIXIMRRLTDAI-SFHVURJKSA-N 2 2 308.429 3.599 20 30 DHEDLP C=CC[N@@H+]1CCC[C@H]1c1ccc(NCc2cc[nH+]c(N)c2)cc1 ZINC001167618334 1017625188 /nfs/dbraw/zinc/62/51/88/1017625188.db2.gz HELIXIMRRLTDAI-SFHVURJKSA-N 2 2 308.429 3.599 20 30 DHEDLP C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174651620 1018455460 /nfs/dbraw/zinc/45/54/60/1018455460.db2.gz REWXHYUIKBIPAY-OAHLLOKOSA-N 2 2 302.381 3.595 20 30 DHEDLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC000113933810 1019427489 /nfs/dbraw/zinc/42/74/89/1019427489.db2.gz YATBHQZXYCFAQM-YLJYHZDGSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC000113933810 1019427494 /nfs/dbraw/zinc/42/74/94/1019427494.db2.gz YATBHQZXYCFAQM-YLJYHZDGSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000113933810 1019427499 /nfs/dbraw/zinc/42/74/99/1019427499.db2.gz YATBHQZXYCFAQM-YLJYHZDGSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000113933810 1019427502 /nfs/dbraw/zinc/42/75/02/1019427502.db2.gz YATBHQZXYCFAQM-YLJYHZDGSA-N 2 2 311.473 3.645 20 30 DHEDLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCC(C)(C)C#N ZINC000091075419 1021261146 /nfs/dbraw/zinc/26/11/46/1021261146.db2.gz KZRBSIZCCBXUCJ-UHFFFAOYSA-N 2 2 301.478 3.817 20 30 DHEDLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCC(C)(C)C#N ZINC000091075419 1021261150 /nfs/dbraw/zinc/26/11/50/1021261150.db2.gz KZRBSIZCCBXUCJ-UHFFFAOYSA-N 2 2 301.478 3.817 20 30 DHEDLP CC[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(C#N)cc1 ZINC000278835000 1023104228 /nfs/dbraw/zinc/10/42/28/1023104228.db2.gz UIZCMBYVRIUGRH-SFHVURJKSA-N 2 2 308.429 3.886 20 30 DHEDLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@@H](C)CCCC#N)CC1 ZINC001172487718 1033220976 /nfs/dbraw/zinc/22/09/76/1033220976.db2.gz IWSDCOFAGSWJQT-INIZCTEOSA-N 2 2 317.452 3.771 20 30 DHEDLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@@H](C)CCCC#N)CC1 ZINC001172489421 1033222810 /nfs/dbraw/zinc/22/28/10/1033222810.db2.gz ROIWQVJJZQVSIC-HNNXBMFYSA-N 2 2 317.452 3.771 20 30 DHEDLP C[C@H](CCCC#N)[NH2+][C@H](C[NH+](C)C)C12CC3CC(CC(C3)C1)C2 ZINC001172493166 1033225149 /nfs/dbraw/zinc/22/51/49/1033225149.db2.gz XWOXGENHKPKPJP-HAAVTCDPSA-N 2 2 317.521 3.805 20 30 DHEDLP C[C@@H](CCCC#N)[NH2+][C@@H](C[NH+](C)C)C12CC3CC(CC(C3)C1)C2 ZINC001172493167 1033226400 /nfs/dbraw/zinc/22/64/00/1033226400.db2.gz XWOXGENHKPKPJP-XXZQBKANSA-N 2 2 317.521 3.805 20 30 DHEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1C(C)(C)C#N ZINC000135278443 1033271773 /nfs/dbraw/zinc/27/17/73/1033271773.db2.gz FPXJGBKTUWOJCV-MSOLQXFVSA-N 2 2 311.473 3.546 20 30 DHEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1C(C)(C)C#N ZINC000135278443 1033271788 /nfs/dbraw/zinc/27/17/88/1033271788.db2.gz FPXJGBKTUWOJCV-MSOLQXFVSA-N 2 2 311.473 3.546 20 30 DHEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C(C)(C)C#N ZINC000135278443 1033271794 /nfs/dbraw/zinc/27/17/94/1033271794.db2.gz FPXJGBKTUWOJCV-MSOLQXFVSA-N 2 2 311.473 3.546 20 30 DHEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C(C)(C)C#N ZINC000135278443 1033271801 /nfs/dbraw/zinc/27/18/01/1033271801.db2.gz FPXJGBKTUWOJCV-MSOLQXFVSA-N 2 2 311.473 3.546 20 30 DHEDLP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000280693274 1026691382 /nfs/dbraw/zinc/69/13/82/1026691382.db2.gz BKHUCEPQLLWKOP-AYBZRNKSSA-N 2 2 311.429 3.504 20 30 DHEDLP CC[C@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1ccc(C#N)cc1 ZINC000365731810 1027995711 /nfs/dbraw/zinc/99/57/11/1027995711.db2.gz CWAORUIZPRZDSY-MSOLQXFVSA-N 2 2 308.429 3.682 20 30 DHEDLP C[C@H](CC1CCC1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000601154665 1028005419 /nfs/dbraw/zinc/00/54/19/1028005419.db2.gz RYFMIZBRYMSRAZ-MRXNPFEDSA-N 2 2 311.473 3.691 20 30 DHEDLP C[C@@H](C#N)C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC000411405085 1029120223 /nfs/dbraw/zinc/12/02/23/1029120223.db2.gz YFNNTQWPQHLVDY-KRWDZBQOSA-N 2 2 311.473 3.797 20 30 DHEDLP C[C@@H](C#N)C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC000411405085 1029120226 /nfs/dbraw/zinc/12/02/26/1029120226.db2.gz YFNNTQWPQHLVDY-KRWDZBQOSA-N 2 2 311.473 3.797 20 30 DHEDLP CC[NH+]1CCN(c2ccc([NH2+][C@H](C)CC(C)(C)C#N)cc2)CC1 ZINC000925730065 1030466974 /nfs/dbraw/zinc/46/69/74/1030466974.db2.gz NJHFFSYQUHRRMM-MRXNPFEDSA-N 2 2 314.477 3.569 20 30 DHEDLP C=C1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000926924913 1031000062 /nfs/dbraw/zinc/00/00/62/1031000062.db2.gz GHOYCWAKROLCEC-YLJYHZDGSA-N 2 2 313.489 3.628 20 30 DHEDLP C=C1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000926924913 1031000082 /nfs/dbraw/zinc/00/00/82/1031000082.db2.gz GHOYCWAKROLCEC-YLJYHZDGSA-N 2 2 313.489 3.628 20 30 DHEDLP C=CC(C)(C)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000872102661 1031492671 /nfs/dbraw/zinc/49/26/71/1031492671.db2.gz SAWUVJURKGNAKL-MJGOQNOKSA-N 2 2 315.505 3.874 20 30 DHEDLP C=CC(C)(C)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000872102661 1031492673 /nfs/dbraw/zinc/49/26/73/1031492673.db2.gz SAWUVJURKGNAKL-MJGOQNOKSA-N 2 2 315.505 3.874 20 30 DHEDLP C=CCOC1CCC(n2c[nH+]cc2-c2ccc(C[NH3+])cc2)CC1 ZINC001173318326 1033712831 /nfs/dbraw/zinc/71/28/31/1033712831.db2.gz ZKCHJUUOJOLJIN-UHFFFAOYSA-N 2 2 311.429 3.695 20 30 DHEDLP CC1(C)C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000590656401 1038686693 /nfs/dbraw/zinc/68/66/93/1038686693.db2.gz ONPREMREVPXETE-YTQUADARSA-N 2 2 311.473 3.711 20 30 DHEDLP CC1(C)C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[N@H+]1Cc1ccccc1 ZINC000590656401 1038686698 /nfs/dbraw/zinc/68/66/98/1038686698.db2.gz ONPREMREVPXETE-YTQUADARSA-N 2 2 311.473 3.711 20 30 DHEDLP Cc1cccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593687178 1039063084 /nfs/dbraw/zinc/06/30/84/1039063084.db2.gz CZPGSMPCCXOOHB-UHFFFAOYSA-N 2 2 319.452 3.621 20 30 DHEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]CC3CCCCC3)CC2)c1 ZINC000593688883 1039068461 /nfs/dbraw/zinc/06/84/61/1039068461.db2.gz WSNKWSWXMXAXCS-UHFFFAOYSA-N 2 2 311.473 3.693 20 30 DHEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594519913 1039825942 /nfs/dbraw/zinc/82/59/42/1039825942.db2.gz MPWWGEMIENNASH-XUVXKRRUSA-N 2 2 309.457 3.542 20 30 DHEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594519913 1039825969 /nfs/dbraw/zinc/82/59/69/1039825969.db2.gz MPWWGEMIENNASH-XUVXKRRUSA-N 2 2 309.457 3.542 20 30 DHEDLP C[C@@]1(C[NH2+]C2CCC(C#N)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000602620708 1041122474 /nfs/dbraw/zinc/12/24/74/1041122474.db2.gz DTBNSAIYAUNRNL-UUKMXZOPSA-N 2 2 311.473 3.713 20 30 DHEDLP C[C@@]1(C[NH2+]C2CCC(C#N)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000602620708 1041122478 /nfs/dbraw/zinc/12/24/78/1041122478.db2.gz DTBNSAIYAUNRNL-UUKMXZOPSA-N 2 2 311.473 3.713 20 30 DHEDLP C[C@@H](C#N)C[NH2+]C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000602607260 1041123613 /nfs/dbraw/zinc/12/36/13/1041123613.db2.gz IBLNLQNFNCAYHN-FXAWDEMLSA-N 2 2 313.489 3.674 20 30 DHEDLP C[C@@H](C#N)C[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000602607260 1041123619 /nfs/dbraw/zinc/12/36/19/1041123619.db2.gz IBLNLQNFNCAYHN-FXAWDEMLSA-N 2 2 313.489 3.674 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000093405888 335000622 /nfs/dbraw/zinc/00/06/22/335000622.db2.gz LNNRQUDJVIDICZ-CQSZACIVSA-N 2 2 319.518 3.713 20 30 DHEDLP C[C@H](c1ccc(C#N)cc1)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285526462 131177411 /nfs/dbraw/zinc/17/74/11/131177411.db2.gz FDKSBTCABVQQCR-MRXNPFEDSA-N 2 2 311.429 3.666 20 30 DHEDLP C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285526462 131177413 /nfs/dbraw/zinc/17/74/13/131177413.db2.gz FDKSBTCABVQQCR-MRXNPFEDSA-N 2 2 311.429 3.666 20 30 DHEDLP C[C@H](c1ccc(C#N)cc1)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285526462 131177414 /nfs/dbraw/zinc/17/74/14/131177414.db2.gz FDKSBTCABVQQCR-MRXNPFEDSA-N 2 2 311.429 3.666 20 30 DHEDLP C[C@H](c1ccc(C#N)cc1)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285526462 131177415 /nfs/dbraw/zinc/17/74/15/131177415.db2.gz FDKSBTCABVQQCR-MRXNPFEDSA-N 2 2 311.429 3.666 20 30 DHEDLP CCc1ccc([C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)[NH+](CC)CC)cc1 ZINC000559871912 332287620 /nfs/dbraw/zinc/28/76/20/332287620.db2.gz QOUTUYMZXUJNQJ-SXLOBPIMSA-N 2 2 313.489 3.914 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000152962669 332333726 /nfs/dbraw/zinc/33/37/26/332333726.db2.gz GRSDZZLLWASUCB-GOSISDBHSA-N 2 2 318.436 3.670 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(C)ccc2OC)CC1 ZINC000152987480 332334885 /nfs/dbraw/zinc/33/48/85/332334885.db2.gz ZTCTXAWUHQABQB-INIZCTEOSA-N 2 2 302.462 3.695 20 30 DHEDLP Cc1ccc([C@@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)[NH+](C)C)cc1 ZINC000570250688 332730737 /nfs/dbraw/zinc/73/07/37/332730737.db2.gz SSXQWRATAWMPAI-LEWJYISDSA-N 2 2 319.452 3.747 20 30 DHEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000184088842 333191888 /nfs/dbraw/zinc/19/18/88/333191888.db2.gz HWJFVSIBRYSWRR-INIZCTEOSA-N 2 2 305.853 3.586 20 30 DHEDLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]CC(C)(C)CCC#N)C1CC1 ZINC000185223332 333205776 /nfs/dbraw/zinc/20/57/76/333205776.db2.gz ZMYWPLURFWVIHF-LJQANCHMSA-N 2 2 313.489 3.817 20 30 DHEDLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]CC(C)(C)CCC#N)C1CC1 ZINC000185223332 333205777 /nfs/dbraw/zinc/20/57/77/333205777.db2.gz ZMYWPLURFWVIHF-LJQANCHMSA-N 2 2 313.489 3.817 20 30 DHEDLP N#C[C@H]1CCC[C@@H]([NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000185754726 333213544 /nfs/dbraw/zinc/21/35/44/333213544.db2.gz FPKHYQYICNKKJA-ARFHVFGLSA-N 2 2 303.475 3.557 20 30 DHEDLP N#CCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000364054246 333228082 /nfs/dbraw/zinc/22/80/82/333228082.db2.gz IMQKNHGEDNEGIS-WOJBJXKFSA-N 2 2 311.473 3.809 20 30 DHEDLP N#CCCCC[N@H+]1CCC[C@@H]1[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000364054246 333228084 /nfs/dbraw/zinc/22/80/84/333228084.db2.gz IMQKNHGEDNEGIS-WOJBJXKFSA-N 2 2 311.473 3.809 20 30 DHEDLP N#CCCCC[NH+]1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000364054246 333228086 /nfs/dbraw/zinc/22/80/86/333228086.db2.gz IMQKNHGEDNEGIS-WOJBJXKFSA-N 2 2 311.473 3.809 20 30 DHEDLP N#CCCCC[NH+]1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000364054246 333228088 /nfs/dbraw/zinc/22/80/88/333228088.db2.gz IMQKNHGEDNEGIS-WOJBJXKFSA-N 2 2 311.473 3.809 20 30 DHEDLP C[C@H]1C[C@H]([NH2+]CC2CCC(C#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000281469905 334126271 /nfs/dbraw/zinc/12/62/71/334126271.db2.gz BMEHEPZIVHJDEE-NNZWXOEDSA-N 2 2 311.473 3.569 20 30 DHEDLP C[C@H]1C[C@H]([NH2+]CC2CCC(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000281469905 334126273 /nfs/dbraw/zinc/12/62/73/334126273.db2.gz BMEHEPZIVHJDEE-NNZWXOEDSA-N 2 2 311.473 3.569 20 30 DHEDLP CC1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000344299171 335238166 /nfs/dbraw/zinc/23/81/66/335238166.db2.gz OSEGHGYRVKLDCY-UHFFFAOYSA-N 2 2 311.473 3.691 20 30 DHEDLP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc(C#N)cc1F ZINC000346884335 335448339 /nfs/dbraw/zinc/44/83/39/335448339.db2.gz ZPTFOSFLSDMSOF-LSDHHAIUSA-N 2 2 303.425 3.612 20 30 DHEDLP C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329850618 336089219 /nfs/dbraw/zinc/08/92/19/336089219.db2.gz SKENWIVPNCBLOP-CQSZACIVSA-N 2 2 318.465 3.514 20 30 DHEDLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329923040 336095876 /nfs/dbraw/zinc/09/58/76/336095876.db2.gz GTGZWUJSJIVIID-UGUYLWEFSA-N 2 2 318.465 3.513 20 30 DHEDLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329923040 336095878 /nfs/dbraw/zinc/09/58/78/336095878.db2.gz GTGZWUJSJIVIID-UGUYLWEFSA-N 2 2 318.465 3.513 20 30 DHEDLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000352801654 336239375 /nfs/dbraw/zinc/23/93/75/336239375.db2.gz RYLXVLMBEVDHME-UHFFFAOYSA-N 2 2 319.330 3.613 20 30 DHEDLP C=C(C)C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnn(C(C)C)c1 ZINC000352904969 336375606 /nfs/dbraw/zinc/37/56/06/336375606.db2.gz WOCMMPCOTWIDKN-IBGZPJMESA-N 2 2 318.509 3.717 20 30 DHEDLP C=C(C)C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnn(C(C)C)c1 ZINC000352904969 336375607 /nfs/dbraw/zinc/37/56/07/336375607.db2.gz WOCMMPCOTWIDKN-IBGZPJMESA-N 2 2 318.509 3.717 20 30 DHEDLP C=C(C)C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cnn(C(C)C)c1 ZINC000352904969 336375608 /nfs/dbraw/zinc/37/56/08/336375608.db2.gz WOCMMPCOTWIDKN-IBGZPJMESA-N 2 2 318.509 3.717 20 30 DHEDLP C=C(C)C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cnn(C(C)C)c1 ZINC000352904969 336375609 /nfs/dbraw/zinc/37/56/09/336375609.db2.gz WOCMMPCOTWIDKN-IBGZPJMESA-N 2 2 318.509 3.717 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2Br)CC1 ZINC000106245611 336389170 /nfs/dbraw/zinc/38/91/70/336389170.db2.gz OMKVBDAIQXSVTJ-UHFFFAOYSA-N 2 2 323.278 3.579 20 30 DHEDLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)n2c1 ZINC000418141869 336896493 /nfs/dbraw/zinc/89/64/93/336896493.db2.gz GKZRHIKLRRSMCJ-IBGZPJMESA-N 2 2 316.408 3.682 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc(Br)c2)CC1 ZINC000173398188 337135705 /nfs/dbraw/zinc/13/57/05/337135705.db2.gz AACNPQUGAVQDAO-CYBMUJFWSA-N 2 2 323.278 3.750 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2ccc(OC(F)F)cc2)CC1 ZINC000177912164 337159040 /nfs/dbraw/zinc/15/90/40/337159040.db2.gz GQMPEHSCGRYTHB-QGZVFWFLSA-N 2 2 324.415 3.979 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2nc3ccc(F)cc3s2)CC1 ZINC000428877889 338064239 /nfs/dbraw/zinc/06/42/39/338064239.db2.gz XRFQBZOPIGGVIL-UHFFFAOYSA-N 2 2 319.449 3.566 20 30 DHEDLP C[C@H]1CCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463245860 339111728 /nfs/dbraw/zinc/11/17/28/339111728.db2.gz FXLPFOHOGIZQCO-LPHOPBHVSA-N 2 2 311.473 3.548 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2OCCCC)CC1 ZINC000463748618 339125458 /nfs/dbraw/zinc/12/54/58/339125458.db2.gz WOTBWYQXGFOZBD-UHFFFAOYSA-N 2 2 316.489 3.996 20 30 DHEDLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc(C#N)c2)C1 ZINC000512170996 340350741 /nfs/dbraw/zinc/35/07/41/340350741.db2.gz VHKAYKARLDVWHF-PXNSSMCTSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc(C#N)c2)C1 ZINC000512170996 340350742 /nfs/dbraw/zinc/35/07/42/340350742.db2.gz VHKAYKARLDVWHF-PXNSSMCTSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000512170996 340350743 /nfs/dbraw/zinc/35/07/43/340350743.db2.gz VHKAYKARLDVWHF-PXNSSMCTSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000512170996 340350744 /nfs/dbraw/zinc/35/07/44/340350744.db2.gz VHKAYKARLDVWHF-PXNSSMCTSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543960841 341064348 /nfs/dbraw/zinc/06/43/48/341064348.db2.gz BUGGRIHGCMKMSG-CKJXQJPGSA-N 2 2 319.452 3.826 20 30 DHEDLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543960841 341064349 /nfs/dbraw/zinc/06/43/49/341064349.db2.gz BUGGRIHGCMKMSG-CKJXQJPGSA-N 2 2 319.452 3.826 20 30 DHEDLP C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1cccc(-n2cc[nH+]c2)c1 ZINC000176979124 341909207 /nfs/dbraw/zinc/90/92/07/341909207.db2.gz OJTRKSPWUIZUTD-CYBMUJFWSA-N 2 2 308.410 3.656 20 30 DHEDLP C=CCC[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CC1 ZINC000120066195 1015333723 /nfs/dbraw/zinc/33/37/23/1015333723.db2.gz UXADWTIVSXGONV-LJQANCHMSA-N 2 2 309.457 3.808 20 30 DHEDLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc(C#N)c2)C1 ZINC000072974666 1017053701 /nfs/dbraw/zinc/05/37/01/1017053701.db2.gz VHKAYKARLDVWHF-YLJYHZDGSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc(C#N)c2)C1 ZINC000072974666 1017053715 /nfs/dbraw/zinc/05/37/15/1017053715.db2.gz VHKAYKARLDVWHF-YLJYHZDGSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000072974666 1017053724 /nfs/dbraw/zinc/05/37/24/1017053724.db2.gz VHKAYKARLDVWHF-YLJYHZDGSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000072974666 1017053734 /nfs/dbraw/zinc/05/37/34/1017053734.db2.gz VHKAYKARLDVWHF-YLJYHZDGSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174651609 1018455690 /nfs/dbraw/zinc/45/56/90/1018455690.db2.gz REWXHYUIKBIPAY-HNNXBMFYSA-N 2 2 302.381 3.595 20 30 DHEDLP C[C@H]1C[C@H]([NH2+]CC2(C#N)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000405150686 1018731783 /nfs/dbraw/zinc/73/17/83/1018731783.db2.gz OKFYUTBAARMCSP-PKOBYXMFSA-N 2 2 311.473 3.713 20 30 DHEDLP C[C@H]1C[C@H]([NH2+]CC2(C#N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000405150686 1018731796 /nfs/dbraw/zinc/73/17/96/1018731796.db2.gz OKFYUTBAARMCSP-PKOBYXMFSA-N 2 2 311.473 3.713 20 30 DHEDLP C[N@H+](Cc1ccccc1)C1(C[NH2+]CC(C)(C)CCC#N)CCC1 ZINC000387297670 1019073048 /nfs/dbraw/zinc/07/30/48/1019073048.db2.gz AEQBHCFFRPADRG-UHFFFAOYSA-N 2 2 313.489 3.961 20 30 DHEDLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]CC(C)(C)CCC#N)CCC1 ZINC000387297670 1019073064 /nfs/dbraw/zinc/07/30/64/1019073064.db2.gz AEQBHCFFRPADRG-UHFFFAOYSA-N 2 2 313.489 3.961 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](CCCOC)c2ccc(F)cc2)CC1 ZINC000282337178 1019741744 /nfs/dbraw/zinc/74/17/44/1019741744.db2.gz OPNQFDGJRRWLQP-IBGZPJMESA-N 2 2 320.452 3.533 20 30 DHEDLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(C#N)c1 ZINC000181471551 1021192836 /nfs/dbraw/zinc/19/28/36/1021192836.db2.gz DBJAUUQQIQWRHQ-MRXNPFEDSA-N 2 2 316.408 3.654 20 30 DHEDLP CC[C@H](C)C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181996550 1021423516 /nfs/dbraw/zinc/42/35/16/1021423516.db2.gz SWXZCDUWSSMINZ-DLBZAZTESA-N 2 2 313.489 3.937 20 30 DHEDLP CC[C@@H](C)C[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181996569 1021424735 /nfs/dbraw/zinc/42/47/35/1021424735.db2.gz SWXZCDUWSSMINZ-SJORKVTESA-N 2 2 313.489 3.937 20 30 DHEDLP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000618740979 1021501574 /nfs/dbraw/zinc/50/15/74/1021501574.db2.gz AOZOWJOZLLUREZ-SFHVURJKSA-N 2 2 320.421 3.583 20 30 DHEDLP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000093643742 1021639555 /nfs/dbraw/zinc/63/95/55/1021639555.db2.gz DLKGZWMPHFWMET-HOCLYGCPSA-N 2 2 322.880 3.819 20 30 DHEDLP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000093643742 1021639563 /nfs/dbraw/zinc/63/95/63/1021639563.db2.gz DLKGZWMPHFWMET-HOCLYGCPSA-N 2 2 322.880 3.819 20 30 DHEDLP C=CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1Cl ZINC000093643742 1021639566 /nfs/dbraw/zinc/63/95/66/1021639566.db2.gz DLKGZWMPHFWMET-HOCLYGCPSA-N 2 2 322.880 3.819 20 30 DHEDLP C=CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1Cl ZINC000093643742 1021639575 /nfs/dbraw/zinc/63/95/75/1021639575.db2.gz DLKGZWMPHFWMET-HOCLYGCPSA-N 2 2 322.880 3.819 20 30 DHEDLP C[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379653119 1021676577 /nfs/dbraw/zinc/67/65/77/1021676577.db2.gz YUSGSNXVIMMLSL-UGKGYDQZSA-N 2 2 318.464 3.681 20 30 DHEDLP C[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379653119 1021676598 /nfs/dbraw/zinc/67/65/98/1021676598.db2.gz YUSGSNXVIMMLSL-UGKGYDQZSA-N 2 2 318.464 3.681 20 30 DHEDLP C[C@H](Cc1ccc(C#N)cc1)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001172305450 1033075291 /nfs/dbraw/zinc/07/52/91/1033075291.db2.gz SLSDXHXZTFTYPW-OAHLLOKOSA-N 2 2 316.408 3.684 20 30 DHEDLP Cc1[nH]c2ccc(Nc3sc4c(c3C#N)CC[N@@H+](C)C4)cc2[nH+]1 ZINC001213070561 1022954784 /nfs/dbraw/zinc/95/47/84/1022954784.db2.gz WEDPVOCLOPQANT-UHFFFAOYSA-N 2 2 323.425 3.536 20 30 DHEDLP Cc1[nH]c2ccc(Nc3sc4c(c3C#N)CC[N@H+](C)C4)cc2[nH+]1 ZINC001213070561 1022954797 /nfs/dbraw/zinc/95/47/97/1022954797.db2.gz WEDPVOCLOPQANT-UHFFFAOYSA-N 2 2 323.425 3.536 20 30 DHEDLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@@H](C)CCCC#N)CC1 ZINC001172488554 1033220174 /nfs/dbraw/zinc/22/01/74/1033220174.db2.gz NGNKQSGJPLPEIV-INIZCTEOSA-N 2 2 317.452 3.771 20 30 DHEDLP C[C@H](CCCC#N)[NH2+][C@@H](C[NH+](C)C)C12CC3CC(CC(C3)C1)C2 ZINC001172493168 1033225925 /nfs/dbraw/zinc/22/59/25/1033225925.db2.gz XWOXGENHKPKPJP-ZPLIXLBSSA-N 2 2 317.521 3.805 20 30 DHEDLP C[C@H](CCCC#N)[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001172497327 1033229295 /nfs/dbraw/zinc/22/92/95/1033229295.db2.gz AURDJSUXAMVABG-MRXNPFEDSA-N 2 2 317.452 3.804 20 30 DHEDLP C[C@H](CCCC#N)[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001172497327 1033229307 /nfs/dbraw/zinc/22/93/07/1033229307.db2.gz AURDJSUXAMVABG-MRXNPFEDSA-N 2 2 317.452 3.804 20 30 DHEDLP C[C@H](CCCC#N)[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001172505355 1033234301 /nfs/dbraw/zinc/23/43/01/1033234301.db2.gz LVXFLJBNYNPYFY-MRXNPFEDSA-N 2 2 317.452 3.804 20 30 DHEDLP C[C@H](CCCC#N)[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001172505355 1033234309 /nfs/dbraw/zinc/23/43/09/1033234309.db2.gz LVXFLJBNYNPYFY-MRXNPFEDSA-N 2 2 317.452 3.804 20 30 DHEDLP CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000614175364 1025810358 /nfs/dbraw/zinc/81/03/58/1025810358.db2.gz JNIXVIFHKPVMKO-INIZCTEOSA-N 2 2 308.429 3.590 20 30 DHEDLP CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000614175364 1025810370 /nfs/dbraw/zinc/81/03/70/1025810370.db2.gz JNIXVIFHKPVMKO-INIZCTEOSA-N 2 2 308.429 3.590 20 30 DHEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000810212833 1026706949 /nfs/dbraw/zinc/70/69/49/1026706949.db2.gz ZICSDVUFLYMDSH-FQEVSTJZSA-N 2 2 314.392 3.521 20 30 DHEDLP CC1(C#N)CCC([NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000423408153 1027540113 /nfs/dbraw/zinc/54/01/13/1027540113.db2.gz XDDBQZMSTJTGRV-IOJLRTSASA-N 2 2 307.441 3.902 20 30 DHEDLP C=CCC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccco1 ZINC000367750722 1028233483 /nfs/dbraw/zinc/23/34/83/1028233483.db2.gz BNGBRQACFXJMSW-QGZVFWFLSA-N 2 2 311.429 3.941 20 30 DHEDLP C=CCC1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCCC1 ZINC000449604548 1028849507 /nfs/dbraw/zinc/84/95/07/1028849507.db2.gz KPSDVODGBAKMJV-UHFFFAOYSA-N 2 2 313.489 3.772 20 30 DHEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000450944036 1029745332 /nfs/dbraw/zinc/74/53/32/1029745332.db2.gz TXRKQZJKFIESAJ-GOSISDBHSA-N 2 2 311.473 3.571 20 30 DHEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000450944036 1029745337 /nfs/dbraw/zinc/74/53/37/1029745337.db2.gz TXRKQZJKFIESAJ-GOSISDBHSA-N 2 2 311.473 3.571 20 30 DHEDLP CCCCCCCC[C@@H](CCC)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001173310556 1033666370 /nfs/dbraw/zinc/66/63/70/1033666370.db2.gz WYCYRWIVMWGWHL-GOSISDBHSA-N 2 2 312.542 3.952 20 30 DHEDLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@H](C#N)CCC#N ZINC000554552322 1034202908 /nfs/dbraw/zinc/20/29/08/1034202908.db2.gz SFNOAPUNEWUIMI-ROUUACIJSA-N 2 2 324.472 3.594 20 30 DHEDLP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H](C#N)CCC#N ZINC000554552322 1034202924 /nfs/dbraw/zinc/20/29/24/1034202924.db2.gz SFNOAPUNEWUIMI-ROUUACIJSA-N 2 2 324.472 3.594 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000182069424 1034351227 /nfs/dbraw/zinc/35/12/27/1034351227.db2.gz ASBKMNPVVKYVTP-GOSISDBHSA-N 2 2 318.436 3.670 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000191273381 1034758992 /nfs/dbraw/zinc/75/89/92/1034758992.db2.gz RLYJMCZNECLGDO-HNNXBMFYSA-N 2 2 318.509 3.638 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CC34CCCCC4)CC2)cc1 ZINC000598983181 1038976573 /nfs/dbraw/zinc/97/65/73/1038976573.db2.gz CTAQHFRRHBFGID-FQEVSTJZSA-N 2 2 323.484 3.835 20 30 DHEDLP C=CCCCCCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000286978242 335038089 /nfs/dbraw/zinc/03/80/89/335038089.db2.gz IVIFQNHARHZWDP-UHFFFAOYSA-N 2 2 301.478 3.772 20 30 DHEDLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000120649970 132150304 /nfs/dbraw/zinc/15/03/04/132150304.db2.gz SGNDRXZZEXBRRL-CQSZACIVSA-N 2 2 304.397 3.567 20 30 DHEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000184085576 333191909 /nfs/dbraw/zinc/19/19/09/333191909.db2.gz HRCXBYPVICNPOH-HNNXBMFYSA-N 2 2 305.853 3.586 20 30 DHEDLP N#CCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000364054243 333228095 /nfs/dbraw/zinc/22/80/95/333228095.db2.gz IMQKNHGEDNEGIS-PMACEKPBSA-N 2 2 311.473 3.809 20 30 DHEDLP N#CCCCC[N@H+]1CCC[C@H]1[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000364054243 333228096 /nfs/dbraw/zinc/22/80/96/333228096.db2.gz IMQKNHGEDNEGIS-PMACEKPBSA-N 2 2 311.473 3.809 20 30 DHEDLP N#CCCCC[NH+]1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000364054243 333228097 /nfs/dbraw/zinc/22/80/97/333228097.db2.gz IMQKNHGEDNEGIS-PMACEKPBSA-N 2 2 311.473 3.809 20 30 DHEDLP N#CCCCC[NH+]1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000364054243 333228098 /nfs/dbraw/zinc/22/80/98/333228098.db2.gz IMQKNHGEDNEGIS-PMACEKPBSA-N 2 2 311.473 3.809 20 30 DHEDLP N#CCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000364054244 333228139 /nfs/dbraw/zinc/22/81/39/333228139.db2.gz IMQKNHGEDNEGIS-UXHICEINSA-N 2 2 311.473 3.809 20 30 DHEDLP N#CCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000364054244 333228140 /nfs/dbraw/zinc/22/81/40/333228140.db2.gz IMQKNHGEDNEGIS-UXHICEINSA-N 2 2 311.473 3.809 20 30 DHEDLP N#CCCCC[NH+]1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000364054244 333228141 /nfs/dbraw/zinc/22/81/41/333228141.db2.gz IMQKNHGEDNEGIS-UXHICEINSA-N 2 2 311.473 3.809 20 30 DHEDLP N#CCCCC[NH+]1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000364054244 333228142 /nfs/dbraw/zinc/22/81/42/333228142.db2.gz IMQKNHGEDNEGIS-UXHICEINSA-N 2 2 311.473 3.809 20 30 DHEDLP C[C@H]1C[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000271094853 334018537 /nfs/dbraw/zinc/01/85/37/334018537.db2.gz YAVOCHWZEWRDFX-WHMCQKABSA-N 2 2 323.484 3.605 20 30 DHEDLP C[C@H]1C[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000271094853 334018538 /nfs/dbraw/zinc/01/85/38/334018538.db2.gz YAVOCHWZEWRDFX-WHMCQKABSA-N 2 2 323.484 3.605 20 30 DHEDLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[N@H+](Cc2ccccc2)C1 ZINC000294979737 334215263 /nfs/dbraw/zinc/21/52/63/334215263.db2.gz GKZLWCBYFVCLAJ-LCLWPZTBSA-N 2 2 311.473 3.569 20 30 DHEDLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000294979737 334215266 /nfs/dbraw/zinc/21/52/66/334215266.db2.gz GKZLWCBYFVCLAJ-LCLWPZTBSA-N 2 2 311.473 3.569 20 30 DHEDLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000344034901 335211028 /nfs/dbraw/zinc/21/10/28/335211028.db2.gz PPQUFPIGHCRHFU-INIZCTEOSA-N 2 2 316.408 3.654 20 30 DHEDLP C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329850617 336089308 /nfs/dbraw/zinc/08/93/08/336089308.db2.gz SKENWIVPNCBLOP-AWEZNQCLSA-N 2 2 318.465 3.514 20 30 DHEDLP C[NH+](CCCCC#N)[C@@H]1CCCC[C@@H]1[N@H+](C)CCCCC#N ZINC000352969629 336380188 /nfs/dbraw/zinc/38/01/88/336380188.db2.gz SIPXVGWFPGZVAI-HDICACEKSA-N 2 2 304.482 3.549 20 30 DHEDLP C[NH+](CCCCC#N)[C@@H]1CCCC[C@@H]1[N@@H+](C)CCCCC#N ZINC000352969629 336380189 /nfs/dbraw/zinc/38/01/89/336380189.db2.gz SIPXVGWFPGZVAI-HDICACEKSA-N 2 2 304.482 3.549 20 30 DHEDLP C[NH+](CCCCC#N)[C@H]1CCCC[C@H]1[N@H+](C)CCCCC#N ZINC000352969629 336380190 /nfs/dbraw/zinc/38/01/90/336380190.db2.gz SIPXVGWFPGZVAI-HDICACEKSA-N 2 2 304.482 3.549 20 30 DHEDLP C[NH+](CCCCC#N)[C@H]1CCCC[C@H]1[N@@H+](C)CCCCC#N ZINC000352969629 336380191 /nfs/dbraw/zinc/38/01/91/336380191.db2.gz SIPXVGWFPGZVAI-HDICACEKSA-N 2 2 304.482 3.549 20 30 DHEDLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000418141026 336896486 /nfs/dbraw/zinc/89/64/86/336896486.db2.gz GFRHFKTZBKYZGH-FQEVSTJZSA-N 2 2 305.425 3.862 20 30 DHEDLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(C#N)cc1 ZINC000377077056 337046372 /nfs/dbraw/zinc/04/63/72/337046372.db2.gz IYFZJURIUUCKMU-IBGZPJMESA-N 2 2 320.440 3.663 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc3ccccc3n2)CC1 ZINC000177917386 337158920 /nfs/dbraw/zinc/15/89/20/337158920.db2.gz AIEHPFPYUVOCIN-MRXNPFEDSA-N 2 2 309.457 3.926 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000177906141 337158958 /nfs/dbraw/zinc/15/89/58/337158958.db2.gz QPCYZPDZCNCSOB-CYBMUJFWSA-N 2 2 307.507 3.876 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](CCC)c2ccc(OC)cc2)CC1 ZINC000177905681 337159033 /nfs/dbraw/zinc/15/90/33/337159033.db2.gz LEZCKOWOBIGQNX-LJQANCHMSA-N 2 2 302.462 3.776 20 30 DHEDLP C=CCCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182182447 337187119 /nfs/dbraw/zinc/18/71/19/337187119.db2.gz PHDMAWJPKVESND-QGZVFWFLSA-N 2 2 311.473 3.857 20 30 DHEDLP N#CC1(c2ccccc2)CCC([NH2+]C[C@H]([NH3+])c2ccccc2)CC1 ZINC000423248397 337707248 /nfs/dbraw/zinc/70/72/48/337707248.db2.gz RPROXSXSRNMLCP-KBWCOIMZSA-N 2 2 319.452 3.680 20 30 DHEDLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C[N@H+](Cc2ccccc2)C1 ZINC000468363597 339260713 /nfs/dbraw/zinc/26/07/13/339260713.db2.gz VENJSVIUPUAYPT-LAUBAEHRSA-N 2 2 319.452 3.558 20 30 DHEDLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000468363597 339260714 /nfs/dbraw/zinc/26/07/14/339260714.db2.gz VENJSVIUPUAYPT-LAUBAEHRSA-N 2 2 319.452 3.558 20 30 DHEDLP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512672453 340372340 /nfs/dbraw/zinc/37/23/40/340372340.db2.gz KSURLQAIXQBLHG-HNNXBMFYSA-N 2 2 305.441 3.860 20 30 DHEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530216920 340782828 /nfs/dbraw/zinc/78/28/28/340782828.db2.gz DJSXGENXQKJWRZ-PBHICJAKSA-N 2 2 320.864 3.753 20 30 DHEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181396003 525295502 /nfs/dbraw/zinc/29/55/02/525295502.db2.gz HEQRRDMZPLRDNS-KRWDZBQOSA-N 2 2 319.452 3.873 20 30 DHEDLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccc(C#N)cc1 ZINC000181586364 525444082 /nfs/dbraw/zinc/44/40/82/525444082.db2.gz UZZBBIISMHELIV-CQSZACIVSA-N 2 2 304.397 3.718 20 30 DHEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000181406897 527167565 /nfs/dbraw/zinc/16/75/65/527167565.db2.gz QXXIRPRGZGSOJA-HNNXBMFYSA-N 2 2 318.424 3.957 20 30 DHEDLP C[C@@H]1CC([NH2+]Cc2ccc(C#N)o2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168036524 1015414658 /nfs/dbraw/zinc/41/46/58/1015414658.db2.gz UZNVSAFKHCWILX-HZPDHXFCSA-N 2 2 323.440 3.682 20 30 DHEDLP C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192620789 1032591311 /nfs/dbraw/zinc/59/13/11/1032591311.db2.gz FDXRKDIRRISGCR-AWEZNQCLSA-N 2 2 320.371 3.734 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2OCC2CC2)CC1 ZINC000106244903 1020400978 /nfs/dbraw/zinc/40/09/78/1020400978.db2.gz ASDLXWGQHBHBIB-UHFFFAOYSA-N 2 2 314.473 3.606 20 30 DHEDLP C[C@]1(C#N)CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987127 1032971387 /nfs/dbraw/zinc/97/13/87/1032971387.db2.gz PEOSXAWZVURLIT-AZUAARDMSA-N 2 2 311.473 3.665 20 30 DHEDLP C[C@]1(C#N)CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987127 1032971398 /nfs/dbraw/zinc/97/13/98/1032971398.db2.gz PEOSXAWZVURLIT-AZUAARDMSA-N 2 2 311.473 3.665 20 30 DHEDLP C[C@]1(C#N)CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987127 1032971414 /nfs/dbraw/zinc/97/14/14/1032971414.db2.gz PEOSXAWZVURLIT-AZUAARDMSA-N 2 2 311.473 3.665 20 30 DHEDLP C[C@]1(C#N)CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987127 1032971430 /nfs/dbraw/zinc/97/14/30/1032971430.db2.gz PEOSXAWZVURLIT-AZUAARDMSA-N 2 2 311.473 3.665 20 30 DHEDLP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000093643741 1021640454 /nfs/dbraw/zinc/64/04/54/1021640454.db2.gz DLKGZWMPHFWMET-ZBFHGGJFSA-N 2 2 322.880 3.819 20 30 DHEDLP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000093643741 1021640460 /nfs/dbraw/zinc/64/04/60/1021640460.db2.gz DLKGZWMPHFWMET-ZBFHGGJFSA-N 2 2 322.880 3.819 20 30 DHEDLP C=CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1Cl ZINC000093643741 1021640467 /nfs/dbraw/zinc/64/04/67/1021640467.db2.gz DLKGZWMPHFWMET-ZBFHGGJFSA-N 2 2 322.880 3.819 20 30 DHEDLP C=CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1Cl ZINC000093643741 1021640470 /nfs/dbraw/zinc/64/04/70/1021640470.db2.gz DLKGZWMPHFWMET-ZBFHGGJFSA-N 2 2 322.880 3.819 20 30 DHEDLP C=C(Br)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379647895 1021661116 /nfs/dbraw/zinc/66/11/16/1021661116.db2.gz LGXQGGQCCBZKID-GDBMZVCRSA-N 2 2 323.278 3.538 20 30 DHEDLP C=C(Br)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379647895 1021661121 /nfs/dbraw/zinc/66/11/21/1021661121.db2.gz LGXQGGQCCBZKID-GDBMZVCRSA-N 2 2 323.278 3.538 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccccc2OCC)CC1 ZINC000153031912 1021933143 /nfs/dbraw/zinc/93/31/43/1021933143.db2.gz KKJOKCVRPLVLPL-MRXNPFEDSA-N 2 2 302.462 3.776 20 30 DHEDLP C=CCCCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000769983984 1023256128 /nfs/dbraw/zinc/25/61/28/1023256128.db2.gz BZVDUEDNBBBPFO-UHFFFAOYSA-N 2 2 301.478 3.667 20 30 DHEDLP C=CCOc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1Cl ZINC000349374685 1024707929 /nfs/dbraw/zinc/70/79/29/1024707929.db2.gz ZCEYQPDEJPUTQF-UHFFFAOYSA-N 2 2 319.836 3.623 20 30 DHEDLP C=CCOc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1Cl ZINC000349374685 1024707943 /nfs/dbraw/zinc/70/79/43/1024707943.db2.gz ZCEYQPDEJPUTQF-UHFFFAOYSA-N 2 2 319.836 3.623 20 30 DHEDLP C[C@@H](CCC#N)C[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000877129638 1033250069 /nfs/dbraw/zinc/25/00/69/1033250069.db2.gz DQGPFFCDWAATIK-INIZCTEOSA-N 2 2 314.477 3.569 20 30 DHEDLP C#Cc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000809749393 1026614240 /nfs/dbraw/zinc/61/42/40/1026614240.db2.gz NEQHTXNVJPZZMM-UHFFFAOYSA-N 2 2 307.441 3.557 20 30 DHEDLP C=CCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000578495159 1028167089 /nfs/dbraw/zinc/16/70/89/1028167089.db2.gz FYSQJGDCLRVQKZ-IEBWSBKVSA-N 2 2 301.478 3.628 20 30 DHEDLP C=CCCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000578495159 1028167100 /nfs/dbraw/zinc/16/71/00/1028167100.db2.gz FYSQJGDCLRVQKZ-IEBWSBKVSA-N 2 2 301.478 3.628 20 30 DHEDLP C=CC[NH+]1CCC([NH2+]Cc2cc3ccccc3cc2OC)CC1 ZINC000449127851 1028379400 /nfs/dbraw/zinc/37/94/00/1028379400.db2.gz YBLCNENGMHAAFI-UHFFFAOYSA-N 2 2 310.441 3.588 20 30 DHEDLP C=CCC[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccco1 ZINC000817942337 1029287660 /nfs/dbraw/zinc/28/76/60/1029287660.db2.gz OHYKEUPTBHYOSV-MSOLQXFVSA-N 2 2 313.445 3.643 20 30 DHEDLP CC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(C#N)c1O ZINC000925309388 1030340089 /nfs/dbraw/zinc/34/00/89/1030340089.db2.gz ZNYBIAIIPUDKNS-QGZVFWFLSA-N 2 2 315.461 3.567 20 30 DHEDLP C[C@H](CC(C)(C)C#N)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000925591482 1030414565 /nfs/dbraw/zinc/41/45/65/1030414565.db2.gz PTCSCILAJHDWPX-HZPDHXFCSA-N 2 2 314.477 3.525 20 30 DHEDLP C[C@H](CC(C)(C)C#N)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000925591480 1030414760 /nfs/dbraw/zinc/41/47/60/1030414760.db2.gz PTCSCILAJHDWPX-CVEARBPZSA-N 2 2 314.477 3.525 20 30 DHEDLP C=CC(C)(C)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000824790543 1030651031 /nfs/dbraw/zinc/65/10/31/1030651031.db2.gz WXJQMYHQOXTJIN-UHFFFAOYSA-N 2 2 301.478 3.523 20 30 DHEDLP C=CC(C)(C)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000872102659 1031492576 /nfs/dbraw/zinc/49/25/76/1031492576.db2.gz SAWUVJURKGNAKL-IEBWSBKVSA-N 2 2 315.505 3.874 20 30 DHEDLP C=CC(C)(C)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000872102659 1031492583 /nfs/dbraw/zinc/49/25/83/1031492583.db2.gz SAWUVJURKGNAKL-IEBWSBKVSA-N 2 2 315.505 3.874 20 30 DHEDLP CC[C@@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)[NH+]1CCCC1 ZINC000360838087 1031580372 /nfs/dbraw/zinc/58/03/72/1031580372.db2.gz SSSWRVZZEFZVJM-AZUAARDMSA-N 2 2 311.473 3.790 20 30 DHEDLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(C#N)c(F)c1 ZINC000271960407 1036761906 /nfs/dbraw/zinc/76/19/06/1036761906.db2.gz RCHZZMRNUZPJSP-AWEZNQCLSA-N 2 2 312.392 3.635 20 30 DHEDLP CCCCCCCC[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001201804760 1037900452 /nfs/dbraw/zinc/90/04/52/1037900452.db2.gz RXBBFUPOPZMVMI-PMACEKPBSA-N 2 2 315.505 3.806 20 30 DHEDLP CCCCCCCC[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001201814550 1037901172 /nfs/dbraw/zinc/90/11/72/1037901172.db2.gz PKTLMPWIRITNLR-OALUTQOASA-N 2 2 315.505 3.806 20 30 DHEDLP CCC1([NH+]2CCCC2)CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000602948889 1041322538 /nfs/dbraw/zinc/32/25/38/1041322538.db2.gz FRWJURKZJRTMLR-KRWDZBQOSA-N 2 2 311.473 3.960 20 30 DHEDLP CCC1([NH+]2CCCC2)CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000602950937 1041322587 /nfs/dbraw/zinc/32/25/87/1041322587.db2.gz QNACYOWMZBADDS-QGZVFWFLSA-N 2 2 311.473 3.960 20 30 DHEDLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2C#N)CC1 ZINC000274790047 535153119 /nfs/dbraw/zinc/15/31/19/535153119.db2.gz NTDNJUUOXXOPNQ-UHFFFAOYSA-N 2 2 305.853 3.516 20 30 DHEDLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2C#N)CC1 ZINC000274790047 535153125 /nfs/dbraw/zinc/15/31/25/535153125.db2.gz NTDNJUUOXXOPNQ-UHFFFAOYSA-N 2 2 305.853 3.516 20 30 DHEDLP C[C@@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000132797747 332133532 /nfs/dbraw/zinc/13/35/32/332133532.db2.gz YSQDNZWTQFJSOS-UTKZUKDTSA-N 2 2 319.452 3.873 20 30 DHEDLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000132797747 332133534 /nfs/dbraw/zinc/13/35/34/332133534.db2.gz YSQDNZWTQFJSOS-UTKZUKDTSA-N 2 2 319.452 3.873 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000152932262 332333368 /nfs/dbraw/zinc/33/33/68/332333368.db2.gz YTLFHDLYYWAXFE-KRWDZBQOSA-N 2 2 320.477 3.993 20 30 DHEDLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(OCC#N)cc1 ZINC000181672462 333171341 /nfs/dbraw/zinc/17/13/41/333171341.db2.gz UGKSTOJGLYDZOT-INIZCTEOSA-N 2 2 324.428 3.527 20 30 DHEDLP N#C[C@H]1CCC[C@H]([NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000185754791 333213472 /nfs/dbraw/zinc/21/34/72/333213472.db2.gz FPKHYQYICNKKJA-JYJNAYRXSA-N 2 2 303.475 3.557 20 30 DHEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000294056418 334205167 /nfs/dbraw/zinc/20/51/67/334205167.db2.gz JSFLNODUBFKCGT-NVXWUHKLSA-N 2 2 308.429 3.674 20 30 DHEDLP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000295932131 334228686 /nfs/dbraw/zinc/22/86/86/334228686.db2.gz FSWMINYXUGCESI-ZIAGYGMSSA-N 2 2 314.820 3.698 20 30 DHEDLP CCc1[nH+]c2ccccc2n1C1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000299733731 334257779 /nfs/dbraw/zinc/25/77/79/334257779.db2.gz YYTMPQCCKLTYAM-HNNXBMFYSA-N 2 2 310.445 3.928 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534973141 334351030 /nfs/dbraw/zinc/35/10/30/334351030.db2.gz ARYVWQZZPQJEGC-SFHVURJKSA-N 2 2 304.865 3.957 20 30 DHEDLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000344034902 335211115 /nfs/dbraw/zinc/21/11/15/335211115.db2.gz PPQUFPIGHCRHFU-MRXNPFEDSA-N 2 2 316.408 3.654 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC34CCC(CC3)C4)CC2)cc1 ZINC000344316722 335240283 /nfs/dbraw/zinc/24/02/83/335240283.db2.gz FEKUQEKLNUGDBN-UHFFFAOYSA-N 2 2 323.484 3.693 20 30 DHEDLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(C#N)c(F)c1 ZINC000346177215 335377997 /nfs/dbraw/zinc/37/79/97/335377997.db2.gz ILLSAPMHABRLCT-AWEZNQCLSA-N 2 2 320.371 3.734 20 30 DHEDLP Cc1ccc(CCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c[nH+]1 ZINC000418151374 336897986 /nfs/dbraw/zinc/89/79/86/336897986.db2.gz XBTKKASRKFRCOC-HXUWFJFHSA-N 2 2 305.425 3.862 20 30 DHEDLP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1ccc(C#N)cc1Cl ZINC000375740493 337018527 /nfs/dbraw/zinc/01/85/27/337018527.db2.gz FZKHBTJWFHYBMW-JSGCOSHPSA-N 2 2 314.820 3.636 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000177909105 337159031 /nfs/dbraw/zinc/15/90/31/337159031.db2.gz RYUODCMPIMAWHS-LJQANCHMSA-N 2 2 314.473 3.757 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@H]3CC=CCC3)CC2)cc1 ZINC000527787983 337764175 /nfs/dbraw/zinc/76/41/75/337764175.db2.gz KBOCPUNXUIEFIU-SFHVURJKSA-N 2 2 323.484 3.859 20 30 DHEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(Cl)c1 ZINC000439423619 338368956 /nfs/dbraw/zinc/36/89/56/338368956.db2.gz PQNUZKVSXBHHBV-INIZCTEOSA-N 2 2 317.864 3.519 20 30 DHEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(Cl)c1 ZINC000439423619 338368957 /nfs/dbraw/zinc/36/89/57/338368957.db2.gz PQNUZKVSXBHHBV-INIZCTEOSA-N 2 2 317.864 3.519 20 30 DHEDLP Cc1ccc([C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)[NH+]2CCCC2)cc1 ZINC000185804073 340505422 /nfs/dbraw/zinc/50/54/22/340505422.db2.gz HTMDKXWYIZURPE-IHPCNDPISA-N 2 2 311.473 3.804 20 30 DHEDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CC[C@@H](C#N)C2)c(C)c1 ZINC000567317030 341594697 /nfs/dbraw/zinc/59/46/97/341594697.db2.gz MZZQMOBPUBBNNV-LMMKCTJWSA-N 2 2 308.429 3.523 20 30 DHEDLP C[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181584145 524208067 /nfs/dbraw/zinc/20/80/67/524208067.db2.gz QRASHNLFERTNAO-JXFKEZNVSA-N 2 2 311.473 3.691 20 30 DHEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000181406915 527166909 /nfs/dbraw/zinc/16/69/09/527166909.db2.gz QXXIRPRGZGSOJA-OAHLLOKOSA-N 2 2 318.424 3.957 20 30 DHEDLP C[C@@H]1CC([N@@H+]2CC[C@](C)(C#N)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056197 1016961384 /nfs/dbraw/zinc/96/13/84/1016961384.db2.gz CYQQDIDDRYZCDH-MBOZVWFJSA-N 2 2 311.473 3.664 20 30 DHEDLP C[C@@H]1CC([N@H+]2CC[C@](C)(C#N)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056197 1016961395 /nfs/dbraw/zinc/96/13/95/1016961395.db2.gz CYQQDIDDRYZCDH-MBOZVWFJSA-N 2 2 311.473 3.664 20 30 DHEDLP Oc1ccccc1/C=[NH+]\CC1CC[NH+](Cc2cccs2)CC1 ZINC000255573663 1018606251 /nfs/dbraw/zinc/60/62/51/1018606251.db2.gz APXITFASCOPRSW-UYRXBGFRSA-N 2 2 314.454 3.785 20 30 DHEDLP C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000405150684 1018730875 /nfs/dbraw/zinc/73/08/75/1018730875.db2.gz OKFYUTBAARMCSP-MJGOQNOKSA-N 2 2 311.473 3.713 20 30 DHEDLP C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000405150684 1018730890 /nfs/dbraw/zinc/73/08/90/1018730890.db2.gz OKFYUTBAARMCSP-MJGOQNOKSA-N 2 2 311.473 3.713 20 30 DHEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000850059182 1021407133 /nfs/dbraw/zinc/40/71/33/1021407133.db2.gz HMVCAMKVNZBUJH-SFHVURJKSA-N 2 2 322.456 3.643 20 30 DHEDLP CC[C@H](C)C[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181996591 1021424430 /nfs/dbraw/zinc/42/44/30/1021424430.db2.gz SWXZCDUWSSMINZ-IRXDYDNUSA-N 2 2 313.489 3.937 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000538100346 1032986353 /nfs/dbraw/zinc/98/63/53/1032986353.db2.gz OQWNEYUXKIDJLM-LJQANCHMSA-N 2 2 302.437 3.825 20 30 DHEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1C#N ZINC000270050163 1024343936 /nfs/dbraw/zinc/34/39/36/1024343936.db2.gz DXQLQELHTWVWJS-LAUBAEHRSA-N 2 2 319.452 3.558 20 30 DHEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1C#N ZINC000270050163 1024343946 /nfs/dbraw/zinc/34/39/46/1024343946.db2.gz DXQLQELHTWVWJS-LAUBAEHRSA-N 2 2 319.452 3.558 20 30 DHEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000270050165 1024345262 /nfs/dbraw/zinc/34/52/62/1024345262.db2.gz DXQLQELHTWVWJS-UTKZUKDTSA-N 2 2 319.452 3.558 20 30 DHEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000270050165 1024345276 /nfs/dbraw/zinc/34/52/76/1024345276.db2.gz DXQLQELHTWVWJS-UTKZUKDTSA-N 2 2 319.452 3.558 20 30 DHEDLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C[C@@H]1c1ccccc1 ZINC000453361227 1024487279 /nfs/dbraw/zinc/48/72/79/1024487279.db2.gz APKXQZXKHKVUJK-UYAOXDASSA-N 2 2 323.415 3.622 20 30 DHEDLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C[C@@H]1c1ccccc1 ZINC000453361227 1024487289 /nfs/dbraw/zinc/48/72/89/1024487289.db2.gz APKXQZXKHKVUJK-UYAOXDASSA-N 2 2 323.415 3.622 20 30 DHEDLP C=CCOc1ccccc1C[N@H+](CC)CCC[NH+]1CCCC1 ZINC000349386391 1024713255 /nfs/dbraw/zinc/71/32/55/1024713255.db2.gz SIOVMZJOLPQMTR-UHFFFAOYSA-N 2 2 302.462 3.559 20 30 DHEDLP C=CCOc1ccccc1C[N@@H+](CC)CCC[NH+]1CCCC1 ZINC000349386391 1024713257 /nfs/dbraw/zinc/71/32/57/1024713257.db2.gz SIOVMZJOLPQMTR-UHFFFAOYSA-N 2 2 302.462 3.559 20 30 DHEDLP C=CC[C@H]1[N@H+](Cc2ncc(C[NH+](C)C)s2)CCCC1(C)C ZINC000348373712 1025577971 /nfs/dbraw/zinc/57/79/71/1025577971.db2.gz INTLSRSKCDNHNH-OAHLLOKOSA-N 2 2 307.507 3.771 20 30 DHEDLP C=CC[C@H]1[N@@H+](Cc2ncc(C[NH+](C)C)s2)CCCC1(C)C ZINC000348373712 1025577978 /nfs/dbraw/zinc/57/79/78/1025577978.db2.gz INTLSRSKCDNHNH-OAHLLOKOSA-N 2 2 307.507 3.771 20 30 DHEDLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000423233622 1027468218 /nfs/dbraw/zinc/46/82/18/1027468218.db2.gz DVUULKSVAMXCPC-RTWAWAEBSA-N 2 2 319.452 3.959 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527657509 1027823937 /nfs/dbraw/zinc/82/39/37/1027823937.db2.gz RXUNAHRDLFPXEH-UHFFFAOYSA-N 2 2 318.408 3.897 20 30 DHEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)CC2 ZINC000527948836 1027983375 /nfs/dbraw/zinc/98/33/75/1027983375.db2.gz MIAROXJQKOSQRP-QUCCMNQESA-N 2 2 309.457 3.542 20 30 DHEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)CC2 ZINC000527948836 1027983378 /nfs/dbraw/zinc/98/33/78/1027983378.db2.gz MIAROXJQKOSQRP-QUCCMNQESA-N 2 2 309.457 3.542 20 30 DHEDLP C=CCC[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccco1 ZINC000817942341 1029286401 /nfs/dbraw/zinc/28/64/01/1029286401.db2.gz OHYKEUPTBHYOSV-ROUUACIJSA-N 2 2 313.445 3.643 20 30 DHEDLP C[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccc(OCC#N)cc1 ZINC000817960229 1029302608 /nfs/dbraw/zinc/30/26/08/1029302608.db2.gz KRSWPTGWCAVYHP-MRXNPFEDSA-N 2 2 315.461 3.552 20 30 DHEDLP CC[C@@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)[NH+]1CCCC1 ZINC000360838089 1031585024 /nfs/dbraw/zinc/58/50/24/1031585024.db2.gz SSSWRVZZEFZVJM-ICSRJNTNSA-N 2 2 311.473 3.790 20 30 DHEDLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(C#N)CCCC2)cc1 ZINC000846010722 1031806228 /nfs/dbraw/zinc/80/62/28/1031806228.db2.gz NKSWISBWULWYCO-OAHLLOKOSA-N 2 2 308.429 3.915 20 30 DHEDLP CC1(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CCCC1 ZINC000877614368 1033382917 /nfs/dbraw/zinc/38/29/17/1033382917.db2.gz CKIPQKIFNJUNCE-UHFFFAOYSA-N 2 2 311.473 3.693 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000182069441 1034350152 /nfs/dbraw/zinc/35/01/52/1034350152.db2.gz ASBKMNPVVKYVTP-SFHVURJKSA-N 2 2 318.436 3.670 20 30 DHEDLP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)ccc1C#N ZINC000444000762 1036998966 /nfs/dbraw/zinc/99/89/66/1036998966.db2.gz IHWUILTVBWLJPQ-OAQYLSRUSA-N 2 2 319.452 3.621 20 30 DHEDLP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)ccc1C#N ZINC000444000762 1036998981 /nfs/dbraw/zinc/99/89/81/1036998981.db2.gz IHWUILTVBWLJPQ-OAQYLSRUSA-N 2 2 319.452 3.621 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000177905235 1037280608 /nfs/dbraw/zinc/28/06/08/1037280608.db2.gz XCQMHLNSWSJJKU-KUHUBIRLSA-N 2 2 302.437 3.689 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000177906611 1037280786 /nfs/dbraw/zinc/28/07/86/1037280786.db2.gz WTAGHFGGOUXZSE-AWEZNQCLSA-N 2 2 324.415 3.897 20 30 DHEDLP C[C@@]1(C#N)CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000591026544 1038749524 /nfs/dbraw/zinc/74/95/24/1038749524.db2.gz NDRACUPJBPCSJX-FQEVSTJZSA-N 2 2 311.473 3.798 20 30 DHEDLP C[C@@]1(C#N)CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000591026544 1038749530 /nfs/dbraw/zinc/74/95/30/1038749530.db2.gz NDRACUPJBPCSJX-FQEVSTJZSA-N 2 2 311.473 3.798 20 30 DHEDLP C[C@]1(C#N)CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000591026545 1038750426 /nfs/dbraw/zinc/75/04/26/1038750426.db2.gz NDRACUPJBPCSJX-HXUWFJFHSA-N 2 2 311.473 3.798 20 30 DHEDLP C[C@]1(C#N)CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000591026545 1038750432 /nfs/dbraw/zinc/75/04/32/1038750432.db2.gz NDRACUPJBPCSJX-HXUWFJFHSA-N 2 2 311.473 3.798 20 30 DHEDLP CC(C)C[C@@H](C)C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593695389 1039083942 /nfs/dbraw/zinc/08/39/42/1039083942.db2.gz NDFOLMOTHBWHNG-QGZVFWFLSA-N 2 2 313.489 3.794 20 30 DHEDLP CC[NH+](CC)[C@H](C[NH2+]C1CCC(C#N)CC1)Cc1ccccc1 ZINC000602510455 1041076056 /nfs/dbraw/zinc/07/60/56/1041076056.db2.gz VPQJEKYDTZRBRL-MHJFOBGBSA-N 2 2 313.489 3.611 20 30 DHEDLP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000280693280 334969871 /nfs/dbraw/zinc/96/98/71/334969871.db2.gz BKHUCEPQLLWKOP-IEZWGBDMSA-N 2 2 311.429 3.504 20 30 DHEDLP Cc1c[nH]c(-c2ccccc2NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)[nH+]1 ZINC000330245223 336129132 /nfs/dbraw/zinc/12/91/32/336129132.db2.gz XPOSYFUUHADYMQ-KBPBESRZSA-N 2 2 312.417 3.846 20 30 DHEDLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2C#N)C1 ZINC000352804216 336240832 /nfs/dbraw/zinc/24/08/32/336240832.db2.gz ZWPZQNSPCOJOMI-ROUUACIJSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2C#N)C1 ZINC000352804216 336240833 /nfs/dbraw/zinc/24/08/33/336240833.db2.gz ZWPZQNSPCOJOMI-ROUUACIJSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000352804216 336240834 /nfs/dbraw/zinc/24/08/34/336240834.db2.gz ZWPZQNSPCOJOMI-ROUUACIJSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000352804216 336240835 /nfs/dbraw/zinc/24/08/35/336240835.db2.gz ZWPZQNSPCOJOMI-ROUUACIJSA-N 2 2 311.473 3.645 20 30 DHEDLP C=C(Br)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375486761 337012097 /nfs/dbraw/zinc/01/20/97/337012097.db2.gz YVIMKHAKIQXMEV-HZPDHXFCSA-N 2 2 323.278 3.568 20 30 DHEDLP C=C(Br)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375486761 337012098 /nfs/dbraw/zinc/01/20/98/337012098.db2.gz YVIMKHAKIQXMEV-HZPDHXFCSA-N 2 2 323.278 3.568 20 30 DHEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000378185637 337067831 /nfs/dbraw/zinc/06/78/31/337067831.db2.gz ZRDUJZIQPAMEKV-YRBFXIGRSA-N 2 2 321.534 3.852 20 30 DHEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000378185637 337067832 /nfs/dbraw/zinc/06/78/32/337067832.db2.gz ZRDUJZIQPAMEKV-YRBFXIGRSA-N 2 2 321.534 3.852 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](CCC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000177909306 337158806 /nfs/dbraw/zinc/15/88/06/337158806.db2.gz HITCDOJCRTYSIR-SFHVURJKSA-N 2 2 317.433 3.676 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000177906151 337158903 /nfs/dbraw/zinc/15/89/03/337158903.db2.gz QPCYZPDZCNCSOB-ZDUSSCGKSA-N 2 2 307.507 3.876 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000177909092 337159109 /nfs/dbraw/zinc/15/91/09/337159109.db2.gz RYUODCMPIMAWHS-IBGZPJMESA-N 2 2 314.473 3.757 20 30 DHEDLP N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423248398 337707235 /nfs/dbraw/zinc/70/72/35/337707235.db2.gz RPROXSXSRNMLCP-NYLDSWQDSA-N 2 2 319.452 3.680 20 30 DHEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000527195509 337736676 /nfs/dbraw/zinc/73/66/76/337736676.db2.gz MEBRWLIPTSOCPD-OAHLLOKOSA-N 2 2 306.413 3.591 20 30 DHEDLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000154323799 338241228 /nfs/dbraw/zinc/24/12/28/338241228.db2.gz UMHQKNGMNPESPH-LLGFUMIMSA-N 2 2 319.452 3.872 20 30 DHEDLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000154323799 338241229 /nfs/dbraw/zinc/24/12/29/338241229.db2.gz UMHQKNGMNPESPH-LLGFUMIMSA-N 2 2 319.452 3.872 20 30 DHEDLP CC1CC[NH+]([C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)c2ccccc2)CC1 ZINC000442723373 338429144 /nfs/dbraw/zinc/42/91/44/338429144.db2.gz WZOLQIHDODQWOC-YSIASYRMSA-N 2 2 311.473 3.741 20 30 DHEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000466424424 339204278 /nfs/dbraw/zinc/20/42/78/339204278.db2.gz HXVKDSOZGBMUTK-DYESRHJHSA-N 2 2 319.452 3.526 20 30 DHEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000466424424 339204279 /nfs/dbraw/zinc/20/42/79/339204279.db2.gz HXVKDSOZGBMUTK-DYESRHJHSA-N 2 2 319.452 3.526 20 30 DHEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@@H](C)C1CCSCC1)C(C)C ZINC000474471158 339414591 /nfs/dbraw/zinc/41/45/91/339414591.db2.gz FYLFBUBUFJSSLR-WMZOPIPTSA-N 2 2 310.551 3.806 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(C3CCCC3)s2)CC1 ZINC000136078535 341252361 /nfs/dbraw/zinc/25/23/61/341252361.db2.gz NXPYNHGBGLXGQX-UHFFFAOYSA-N 2 2 319.518 3.931 20 30 DHEDLP C=C(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000346772932 1016548324 /nfs/dbraw/zinc/54/83/24/1016548324.db2.gz BTSDZDBCUMEEOF-GHTZIAJQSA-N 2 2 321.468 3.595 20 30 DHEDLP C=C(C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000346772932 1016548336 /nfs/dbraw/zinc/54/83/36/1016548336.db2.gz BTSDZDBCUMEEOF-GHTZIAJQSA-N 2 2 321.468 3.595 20 30 DHEDLP C[N@H+](Cc1cccc(C#N)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322006 1018930844 /nfs/dbraw/zinc/93/08/44/1018930844.db2.gz ZXFKNBPHHGLBLF-UHFFFAOYSA-N 2 2 319.452 3.655 20 30 DHEDLP C[N@@H+](Cc1cccc(C#N)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322006 1018930854 /nfs/dbraw/zinc/93/08/54/1018930854.db2.gz ZXFKNBPHHGLBLF-UHFFFAOYSA-N 2 2 319.452 3.655 20 30 DHEDLP C=C(C)[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)c(F)c1 ZINC000248549316 1019028338 /nfs/dbraw/zinc/02/83/38/1019028338.db2.gz HGVLGIQAORIBCC-VKJFTORMSA-N 2 2 306.400 3.798 20 30 DHEDLP C=C(C)[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)c(F)c1 ZINC000248549316 1019028356 /nfs/dbraw/zinc/02/83/56/1019028356.db2.gz HGVLGIQAORIBCC-VKJFTORMSA-N 2 2 306.400 3.798 20 30 DHEDLP N#Cc1cc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cs1 ZINC000921618386 1019138866 /nfs/dbraw/zinc/13/88/66/1019138866.db2.gz IDOLSUGCZLGACF-UHFFFAOYSA-N 2 2 317.502 3.754 20 30 DHEDLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC000113933812 1019427621 /nfs/dbraw/zinc/42/76/21/1019427621.db2.gz YATBHQZXYCFAQM-FXAWDEMLSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC000113933812 1019427624 /nfs/dbraw/zinc/42/76/24/1019427624.db2.gz YATBHQZXYCFAQM-FXAWDEMLSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000113933812 1019427631 /nfs/dbraw/zinc/42/76/31/1019427631.db2.gz YATBHQZXYCFAQM-FXAWDEMLSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000113933812 1019427632 /nfs/dbraw/zinc/42/76/32/1019427632.db2.gz YATBHQZXYCFAQM-FXAWDEMLSA-N 2 2 311.473 3.645 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C2CCC(C(F)(F)F)CC2)CC1 ZINC000474710477 1020523751 /nfs/dbraw/zinc/52/37/51/1020523751.db2.gz PYHMRBWJRIRWGY-NFOMZHRRSA-N 2 2 318.427 3.984 20 30 DHEDLP CC1(C)C[C@H](Nc2cc(C3(C#N)CC3)cc[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001169145970 1022277146 /nfs/dbraw/zinc/27/71/46/1022277146.db2.gz QBUHZTNTMUVAES-YJBOKZPZSA-N 2 2 312.461 3.592 20 30 DHEDLP CC1(C)C[C@@H](Nc2cc(C3(C#N)CC3)cc[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001169145965 1022278190 /nfs/dbraw/zinc/27/81/90/1022278190.db2.gz QBUHZTNTMUVAES-CRAIPNDOSA-N 2 2 312.461 3.592 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(CC4CC4)CC3)CC2)cc1 ZINC000883248803 1024318216 /nfs/dbraw/zinc/31/82/16/1024318216.db2.gz HDEJCUAVYKIEQZ-UHFFFAOYSA-N 2 2 323.484 3.693 20 30 DHEDLP C[C@H](CCC#N)C[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000877129640 1033248539 /nfs/dbraw/zinc/24/85/39/1033248539.db2.gz DQGPFFCDWAATIK-MRXNPFEDSA-N 2 2 314.477 3.569 20 30 DHEDLP N#CCC1(C[NH+]2CCC(c3ccccc3)([NH+]3CCCC3)CC2)CC1 ZINC000933549678 1027756721 /nfs/dbraw/zinc/75/67/21/1027756721.db2.gz IWJVXGMHZBMQMZ-UHFFFAOYSA-N 2 2 323.484 3.767 20 30 DHEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)CC2 ZINC000527948840 1027981240 /nfs/dbraw/zinc/98/12/40/1027981240.db2.gz MIAROXJQKOSQRP-UYAOXDASSA-N 2 2 309.457 3.542 20 30 DHEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)CC2 ZINC000527948840 1027981249 /nfs/dbraw/zinc/98/12/49/1027981249.db2.gz MIAROXJQKOSQRP-UYAOXDASSA-N 2 2 309.457 3.542 20 30 DHEDLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCC1 ZINC000449480054 1028679370 /nfs/dbraw/zinc/67/93/70/1028679370.db2.gz XFDKTEAPRABVRW-RTBURBONSA-N 2 2 311.473 3.713 20 30 DHEDLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCC1 ZINC000449480054 1028679380 /nfs/dbraw/zinc/67/93/80/1028679380.db2.gz XFDKTEAPRABVRW-RTBURBONSA-N 2 2 311.473 3.713 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816547448 1028928794 /nfs/dbraw/zinc/92/87/94/1028928794.db2.gz WTAOSXUDIBWKJA-UHFFFAOYSA-N 2 2 310.441 3.676 20 30 DHEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000358571722 1030540836 /nfs/dbraw/zinc/54/08/36/1030540836.db2.gz PKAUJLAAIVHWIW-LSDHHAIUSA-N 2 2 303.425 3.612 20 30 DHEDLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000358571722 1030540841 /nfs/dbraw/zinc/54/08/41/1030540841.db2.gz PKAUJLAAIVHWIW-LSDHHAIUSA-N 2 2 303.425 3.612 20 30 DHEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872099405 1031494094 /nfs/dbraw/zinc/49/40/94/1031494094.db2.gz BUXWNMMIIYXFFX-KRWDZBQOSA-N 2 2 311.473 3.960 20 30 DHEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000360834499 1031581200 /nfs/dbraw/zinc/58/12/00/1031581200.db2.gz IPLPGMIHFOBZEQ-SLFFLAALSA-N 2 2 309.457 3.542 20 30 DHEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000360834499 1031581210 /nfs/dbraw/zinc/58/12/10/1031581210.db2.gz IPLPGMIHFOBZEQ-SLFFLAALSA-N 2 2 309.457 3.542 20 30 DHEDLP Cc1c2[nH+]c[nH]c2ccc1NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001171184304 1031595069 /nfs/dbraw/zinc/59/50/69/1031595069.db2.gz JSHXGXMBSMCQAM-UHFFFAOYSA-N 2 2 316.364 3.767 20 30 DHEDLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]CCCCC#N ZINC000360948204 1031638209 /nfs/dbraw/zinc/63/82/09/1031638209.db2.gz PWEMHUNHOKHBPZ-IBGZPJMESA-N 2 2 313.489 3.743 20 30 DHEDLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+]CCCCC#N ZINC000360948204 1031638214 /nfs/dbraw/zinc/63/82/14/1031638214.db2.gz PWEMHUNHOKHBPZ-IBGZPJMESA-N 2 2 313.489 3.743 20 30 DHEDLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000554552323 1034204492 /nfs/dbraw/zinc/20/44/92/1034204492.db2.gz SFNOAPUNEWUIMI-ZWKOTPCHSA-N 2 2 324.472 3.594 20 30 DHEDLP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000554552323 1034204505 /nfs/dbraw/zinc/20/45/05/1034204505.db2.gz SFNOAPUNEWUIMI-ZWKOTPCHSA-N 2 2 324.472 3.594 20 30 DHEDLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1C#N ZINC000482135130 1035058219 /nfs/dbraw/zinc/05/82/19/1035058219.db2.gz MRUZWSCSCSHUDA-LPHOPBHVSA-N 2 2 317.452 3.688 20 30 DHEDLP Cc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccc1C#N ZINC001178408909 1035428206 /nfs/dbraw/zinc/42/82/06/1035428206.db2.gz JAJYXJMZNOXBEH-MRXNPFEDSA-N 2 2 316.408 3.903 20 30 DHEDLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(C#N)cc1 ZINC000774135879 1036194868 /nfs/dbraw/zinc/19/48/68/1036194868.db2.gz WIVZXPKVPSSQMH-ROUUACIJSA-N 2 2 310.445 3.910 20 30 DHEDLP CC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271831439 1036552380 /nfs/dbraw/zinc/55/23/80/1036552380.db2.gz DWHCTUXKSIXGCG-AZUAARDMSA-N 2 2 311.473 3.691 20 30 DHEDLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(C#N)c(F)c1 ZINC000271960409 1036766434 /nfs/dbraw/zinc/76/64/34/1036766434.db2.gz RCHZZMRNUZPJSP-CQSZACIVSA-N 2 2 312.392 3.635 20 30 DHEDLP CC(C)C[C@H](C)C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593695388 1039083059 /nfs/dbraw/zinc/08/30/59/1039083059.db2.gz NDFOLMOTHBWHNG-KRWDZBQOSA-N 2 2 313.489 3.794 20 30 DHEDLP Cc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1C#N ZINC000599360981 1039139038 /nfs/dbraw/zinc/13/90/38/1039139038.db2.gz CZENZNOIGYTIQG-UHFFFAOYSA-N 2 2 322.456 3.756 20 30 DHEDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@@H](C)CCC#N)c(C)c1 ZINC000602579626 1041110342 /nfs/dbraw/zinc/11/03/42/1041110342.db2.gz CAVGZUXYGVHETG-QFBILLFUSA-N 2 2 310.445 3.771 20 30 DHEDLP CCc1ccc([C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)[NH+](CC)CC)cc1 ZINC000559871911 332287770 /nfs/dbraw/zinc/28/77/70/332287770.db2.gz QOUTUYMZXUJNQJ-RLLQIKCJSA-N 2 2 313.489 3.914 20 30 DHEDLP C=CC[NH+]1CCC([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000271073747 334017949 /nfs/dbraw/zinc/01/79/49/334017949.db2.gz MWWHZCHWBCMFQH-UHFFFAOYSA-N 2 2 323.484 3.631 20 30 DHEDLP Cc1c[nH]c(-c2ccccc2NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)[nH+]1 ZINC000330245227 336129030 /nfs/dbraw/zinc/12/90/30/336129030.db2.gz XPOSYFUUHADYMQ-ZIAGYGMSSA-N 2 2 312.417 3.846 20 30 DHEDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000352364318 336214369 /nfs/dbraw/zinc/21/43/69/336214369.db2.gz BSNVYWNVWPWGMT-UHFFFAOYSA-N 2 2 321.424 3.614 20 30 DHEDLP C=CCC[C@H](CCC)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000378476353 337073804 /nfs/dbraw/zinc/07/38/04/337073804.db2.gz RYBGWRKQEJNDNT-NEWSRXKRSA-N 2 2 318.509 3.528 20 30 DHEDLP C=CCC[C@H](CCC)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000378476353 337073805 /nfs/dbraw/zinc/07/38/05/337073805.db2.gz RYBGWRKQEJNDNT-NEWSRXKRSA-N 2 2 318.509 3.528 20 30 DHEDLP C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000180648591 337176984 /nfs/dbraw/zinc/17/69/84/337176984.db2.gz VDZDAUZYFXUYIJ-AWEZNQCLSA-N 2 2 320.371 3.734 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC3CCCC3)CC2)cc1 ZINC000181431451 337184106 /nfs/dbraw/zinc/18/41/06/337184106.db2.gz YCWSSXCFEXWEOY-UHFFFAOYSA-N 2 2 311.473 3.693 20 30 DHEDLP CC[NH+](CC)CCCC1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425252330 337444293 /nfs/dbraw/zinc/44/42/93/337444293.db2.gz ZCEJUUMRTTTWCQ-UHFFFAOYSA-N 2 2 314.477 3.600 20 30 DHEDLP C=CCC[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)C1CC1 ZINC000439089435 338360680 /nfs/dbraw/zinc/36/06/80/338360680.db2.gz USSWHFCLBFWFGR-KRWDZBQOSA-N 2 2 308.535 3.682 20 30 DHEDLP C=CCC[C@@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475333138 339447120 /nfs/dbraw/zinc/44/71/20/339447120.db2.gz HOCQQRGKCXUAAZ-LRVUVFPRSA-N 2 2 304.400 3.736 20 30 DHEDLP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(C#N)cc1F ZINC000512636496 340370273 /nfs/dbraw/zinc/37/02/73/340370273.db2.gz LPGIOJVIBKTBIA-CQSZACIVSA-N 2 2 315.436 3.755 20 30 DHEDLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543960843 341064326 /nfs/dbraw/zinc/06/43/26/341064326.db2.gz BUGGRIHGCMKMSG-VWKPWSFCSA-N 2 2 319.452 3.826 20 30 DHEDLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543960843 341064327 /nfs/dbraw/zinc/06/43/27/341064327.db2.gz BUGGRIHGCMKMSG-VWKPWSFCSA-N 2 2 319.452 3.826 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000349380119 1014675120 /nfs/dbraw/zinc/67/51/20/1014675120.db2.gz DPDJOEAGYWIWSA-UHFFFAOYSA-N 2 2 314.458 3.509 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](CCCOC)c2ccc(F)cc2)CC1 ZINC000282337180 1019739848 /nfs/dbraw/zinc/73/98/48/1019739848.db2.gz OPNQFDGJRRWLQP-LJQANCHMSA-N 2 2 320.452 3.533 20 30 DHEDLP CCCCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000776746889 1022492871 /nfs/dbraw/zinc/49/28/71/1022492871.db2.gz JKKHJIFJUYIMCF-PKOBYXMFSA-N 2 2 303.494 3.852 20 30 DHEDLP CCCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000776746889 1022492882 /nfs/dbraw/zinc/49/28/82/1022492882.db2.gz JKKHJIFJUYIMCF-PKOBYXMFSA-N 2 2 303.494 3.852 20 30 DHEDLP C[C@H](Cc1ccc(C#N)cc1)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001172305657 1033075855 /nfs/dbraw/zinc/07/58/55/1033075855.db2.gz UAWMSSIDDUVIGX-OAHLLOKOSA-N 2 2 316.408 3.684 20 30 DHEDLP Cn1cc[nH+]c1C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccc1 ZINC000590646911 1023277057 /nfs/dbraw/zinc/27/70/57/1023277057.db2.gz YRCQCPOLZGOBCQ-FDYSRKEFSA-N 2 2 322.456 3.766 20 30 DHEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000268859450 1024182498 /nfs/dbraw/zinc/18/24/98/1024182498.db2.gz YPAABHVJEGOHHQ-CABCVRRESA-N 2 2 319.836 3.754 20 30 DHEDLP CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000268960449 1024203868 /nfs/dbraw/zinc/20/38/68/1024203868.db2.gz ICPQRXWNOCYIOE-MRXNPFEDSA-N 2 2 308.429 3.590 20 30 DHEDLP CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000268960449 1024203883 /nfs/dbraw/zinc/20/38/83/1024203883.db2.gz ICPQRXWNOCYIOE-MRXNPFEDSA-N 2 2 308.429 3.590 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269901527 1024327689 /nfs/dbraw/zinc/32/76/89/1024327689.db2.gz ZEDWOOWWWBTNTM-QGZVFWFLSA-N 2 2 306.400 3.582 20 30 DHEDLP C#CCC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000270513029 1024400972 /nfs/dbraw/zinc/40/09/72/1024400972.db2.gz KGBSVRNVGJLKAI-UHFFFAOYSA-N 2 2 324.390 3.625 20 30 DHEDLP C#CCC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000270513029 1024400980 /nfs/dbraw/zinc/40/09/80/1024400980.db2.gz KGBSVRNVGJLKAI-UHFFFAOYSA-N 2 2 324.390 3.625 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CCC=CCC3)CC2)cc1 ZINC000886376556 1025610792 /nfs/dbraw/zinc/61/07/92/1025610792.db2.gz GNGUIHOEAHQPCW-UHFFFAOYSA-N 2 2 309.457 3.611 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808692347 1026348677 /nfs/dbraw/zinc/34/86/77/1026348677.db2.gz PNHPPCKALPIOPQ-CYBMUJFWSA-N 2 2 308.853 3.655 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421828262 1027059274 /nfs/dbraw/zinc/05/92/74/1027059274.db2.gz BXDBQSWKSOVBBL-CYBMUJFWSA-N 2 2 310.844 3.650 20 30 DHEDLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000423233620 1027469482 /nfs/dbraw/zinc/46/94/82/1027469482.db2.gz DVUULKSVAMXCPC-NHCUHLMSSA-N 2 2 319.452 3.959 20 30 DHEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423247887 1027474729 /nfs/dbraw/zinc/47/47/29/1027474729.db2.gz LYDJDVZXGWARDX-WOJBJXKFSA-N 2 2 305.425 3.615 20 30 DHEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000365443292 1027948548 /nfs/dbraw/zinc/94/85/48/1027948548.db2.gz NUXXWJJMZHARSR-MRXNPFEDSA-N 2 2 302.466 3.802 20 30 DHEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000365443292 1027948562 /nfs/dbraw/zinc/94/85/62/1027948562.db2.gz NUXXWJJMZHARSR-MRXNPFEDSA-N 2 2 302.466 3.802 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2OCC(C)C)CC1 ZINC000449123748 1028378927 /nfs/dbraw/zinc/37/89/27/1028378927.db2.gz OPYXQKZOYBSIDZ-UHFFFAOYSA-N 2 2 316.489 3.852 20 30 DHEDLP CC[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(C#N)cc1 ZINC000569660903 1029243083 /nfs/dbraw/zinc/24/30/83/1029243083.db2.gz IPTRUVBXLRRYRO-HXUWFJFHSA-N 2 2 316.408 3.985 20 30 DHEDLP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1O ZINC000866231955 1030169111 /nfs/dbraw/zinc/16/91/11/1030169111.db2.gz AVCYQSWRRSVZOK-JKSUJKDBSA-N 2 2 315.461 3.569 20 30 DHEDLP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1O ZINC000866231955 1030169116 /nfs/dbraw/zinc/16/91/16/1030169116.db2.gz AVCYQSWRRSVZOK-JKSUJKDBSA-N 2 2 315.461 3.569 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc3c(ccnc3Cl)o2)CC1 ZINC000866260648 1030186250 /nfs/dbraw/zinc/18/62/50/1030186250.db2.gz HYBOCUGITQLJJS-LBPRGKRZSA-N 2 2 319.836 3.782 20 30 DHEDLP C=CCOc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000066876595 1030520336 /nfs/dbraw/zinc/52/03/36/1030520336.db2.gz RWDPXYJGMJIREK-UHFFFAOYSA-N 2 2 319.408 3.727 20 30 DHEDLP CC(C)(C#N)CCCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569062 1034362223 /nfs/dbraw/zinc/36/22/23/1034362223.db2.gz HHNLJZVNBCTKIA-SFHVURJKSA-N 2 2 310.445 3.934 20 30 DHEDLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000776155479 1037609718 /nfs/dbraw/zinc/60/97/18/1037609718.db2.gz GNIZSALVZYIICR-MRXNPFEDSA-N 2 2 313.489 3.794 20 30 DHEDLP C[C@]1(C[NH2+]C2CCC(C#N)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000602620707 1041121012 /nfs/dbraw/zinc/12/10/12/1041121012.db2.gz DTBNSAIYAUNRNL-LYBXBRPPSA-N 2 2 311.473 3.713 20 30 DHEDLP C[C@]1(C[NH2+]C2CCC(C#N)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000602620707 1041121018 /nfs/dbraw/zinc/12/10/18/1041121018.db2.gz DTBNSAIYAUNRNL-LYBXBRPPSA-N 2 2 311.473 3.713 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000180489992 334950580 /nfs/dbraw/zinc/95/05/80/334950580.db2.gz QDXHRZVFMZRTFI-NRFANRHFSA-N 2 2 321.468 3.801 20 30 DHEDLP Cc1ccc(NC(=[NH2+])NCCCc2[nH]c3ccccc3[nH+]2)cc1C ZINC000104171575 332244434 /nfs/dbraw/zinc/24/44/34/332244434.db2.gz OYQGRCNTFYQXLB-UHFFFAOYSA-N 2 2 321.428 3.539 20 30 DHEDLP C[C@H](CC[NH2+][C@H](C)c1ccc(C#N)cc1F)[NH+]1CCCCC1 ZINC000346884332 335448182 /nfs/dbraw/zinc/44/81/82/335448182.db2.gz ZPTFOSFLSDMSOF-HUUCEWRRSA-N 2 2 303.425 3.612 20 30 DHEDLP C=CC[N@H+](CCc1ccco1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000352702148 336231402 /nfs/dbraw/zinc/23/14/02/336231402.db2.gz SBEDBMKFWOBVET-UHFFFAOYSA-N 2 2 307.397 3.696 20 30 DHEDLP C=CC[N@@H+](CCc1ccco1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000352702148 336231403 /nfs/dbraw/zinc/23/14/03/336231403.db2.gz SBEDBMKFWOBVET-UHFFFAOYSA-N 2 2 307.397 3.696 20 30 DHEDLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360649091 336717297 /nfs/dbraw/zinc/71/72/97/336717297.db2.gz UFSJPIVLYZDANS-FQEVSTJZSA-N 2 2 305.425 3.862 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000177910487 337158915 /nfs/dbraw/zinc/15/89/15/337158915.db2.gz WABDTEXZAVMATL-INIZCTEOSA-N 2 2 302.462 3.775 20 30 DHEDLP C=CCOc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1Cl ZINC000432802285 338168563 /nfs/dbraw/zinc/16/85/63/338168563.db2.gz ZBVPIESFMQXZPX-MRXNPFEDSA-N 2 2 322.880 3.821 20 30 DHEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1Cl ZINC000432802285 338168564 /nfs/dbraw/zinc/16/85/64/338168564.db2.gz ZBVPIESFMQXZPX-MRXNPFEDSA-N 2 2 322.880 3.821 20 30 DHEDLP C[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463245862 339111675 /nfs/dbraw/zinc/11/16/75/339111675.db2.gz FXLPFOHOGIZQCO-VQIMIIECSA-N 2 2 311.473 3.548 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000177905211 340445289 /nfs/dbraw/zinc/44/52/89/340445289.db2.gz XCQMHLNSWSJJKU-AUUYWEPGSA-N 2 2 302.437 3.689 20 30 DHEDLP C[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)c1cccc(C#N)c1 ZINC000186330143 340511310 /nfs/dbraw/zinc/51/13/10/340511310.db2.gz YDGIYERKDCYRRG-FTRWYGJKSA-N 2 2 307.441 3.900 20 30 DHEDLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000246829930 341357433 /nfs/dbraw/zinc/35/74/33/341357433.db2.gz BPZMKSKZLNXSSB-LLGFUMIMSA-N 2 2 319.452 3.729 20 30 DHEDLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000246829930 341357434 /nfs/dbraw/zinc/35/74/34/341357434.db2.gz BPZMKSKZLNXSSB-LLGFUMIMSA-N 2 2 319.452 3.729 20 30 DHEDLP C[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C)c1ccc(C#N)cc1 ZINC000248624149 341381865 /nfs/dbraw/zinc/38/18/65/341381865.db2.gz CGEQOYSKNBRAIC-TWOQFEAHSA-N 2 2 307.441 3.900 20 30 DHEDLP C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192620803 1032590038 /nfs/dbraw/zinc/59/00/38/1032590038.db2.gz FDXRKDIRRISGCR-CQSZACIVSA-N 2 2 320.371 3.734 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3CCC=CCC3)CC2)cc1 ZINC000922966405 1018946447 /nfs/dbraw/zinc/94/64/47/1018946447.db2.gz REMAUAGSNWOHMC-UHFFFAOYSA-N 2 2 323.484 3.859 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc3ccncc3s2)CC1 ZINC000657876214 1019729005 /nfs/dbraw/zinc/72/90/05/1019729005.db2.gz VZWSRGJJLRDFBJ-ZDUSSCGKSA-N 2 2 301.459 3.597 20 30 DHEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000731679192 1020136760 /nfs/dbraw/zinc/13/67/60/1020136760.db2.gz ZACOUMXYGNVACR-UHFFFAOYSA-N 2 2 314.473 3.530 20 30 DHEDLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cccc(C#N)c1 ZINC000612185554 1020390086 /nfs/dbraw/zinc/39/00/86/1020390086.db2.gz MBEHCTVVRHMUTK-CYBMUJFWSA-N 2 2 308.410 3.656 20 30 DHEDLP CC1(C)C[C@H]([NH2+]Cc2ccc(C#N)o2)CC[N@@H+]1Cc1ccccc1 ZINC001171976979 1032965838 /nfs/dbraw/zinc/96/58/38/1032965838.db2.gz WCHWWGZEXHASJO-QGZVFWFLSA-N 2 2 323.440 3.684 20 30 DHEDLP CC1(C)C[C@H]([NH2+]Cc2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC001171976979 1032965847 /nfs/dbraw/zinc/96/58/47/1032965847.db2.gz WCHWWGZEXHASJO-QGZVFWFLSA-N 2 2 323.440 3.684 20 30 DHEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000154648575 1021456009 /nfs/dbraw/zinc/45/60/09/1021456009.db2.gz TYKIPFGKZWDVOX-GDBMZVCRSA-N 2 2 308.853 3.563 20 30 DHEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000154648575 1021456017 /nfs/dbraw/zinc/45/60/17/1021456017.db2.gz TYKIPFGKZWDVOX-GDBMZVCRSA-N 2 2 308.853 3.563 20 30 DHEDLP C[C@@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379653117 1021676722 /nfs/dbraw/zinc/67/67/22/1021676722.db2.gz YUSGSNXVIMMLSL-KNQAVFIVSA-N 2 2 318.464 3.681 20 30 DHEDLP C[C@@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379653117 1021676728 /nfs/dbraw/zinc/67/67/28/1021676728.db2.gz YUSGSNXVIMMLSL-KNQAVFIVSA-N 2 2 318.464 3.681 20 30 DHEDLP CC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(C#N)cc1 ZINC000278834997 1023104565 /nfs/dbraw/zinc/10/45/65/1023104565.db2.gz UIZCMBYVRIUGRH-GOSISDBHSA-N 2 2 308.429 3.886 20 30 DHEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000651741416 1023510523 /nfs/dbraw/zinc/51/05/23/1023510523.db2.gz JKCMXTRMPXANEL-MBOZVWFJSA-N 2 2 313.489 3.941 20 30 DHEDLP CSc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1C#N ZINC000925773712 1024354799 /nfs/dbraw/zinc/35/47/99/1024354799.db2.gz OKRCQVMHHXVWCW-SJORKVTESA-N 2 2 309.438 3.515 20 30 DHEDLP C[C@@H](CCCC#N)[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001172497324 1033230271 /nfs/dbraw/zinc/23/02/71/1033230271.db2.gz AURDJSUXAMVABG-INIZCTEOSA-N 2 2 317.452 3.804 20 30 DHEDLP C[C@@H](CCCC#N)[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001172497324 1033230277 /nfs/dbraw/zinc/23/02/77/1033230277.db2.gz AURDJSUXAMVABG-INIZCTEOSA-N 2 2 317.452 3.804 20 30 DHEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CC2 ZINC000353427928 1025063233 /nfs/dbraw/zinc/06/32/33/1025063233.db2.gz PPKDMQLADYXJED-IBGZPJMESA-N 2 2 314.392 3.521 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421838255 1027062700 /nfs/dbraw/zinc/06/27/00/1027062700.db2.gz VCVOLLIRVMRYTL-ZDUSSCGKSA-N 2 2 308.853 3.650 20 30 DHEDLP C[C@@H](CC1CCC1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000601154664 1028006857 /nfs/dbraw/zinc/00/68/57/1028006857.db2.gz RYFMIZBRYMSRAZ-INIZCTEOSA-N 2 2 311.473 3.691 20 30 DHEDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000371380039 1028697958 /nfs/dbraw/zinc/69/79/58/1028697958.db2.gz QCWWPYPBUUOPIM-INIZCTEOSA-N 2 2 302.466 3.973 20 30 DHEDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000371380039 1028697965 /nfs/dbraw/zinc/69/79/65/1028697965.db2.gz QCWWPYPBUUOPIM-INIZCTEOSA-N 2 2 302.466 3.973 20 30 DHEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(CCC#N)CC1 ZINC000567790186 1028957712 /nfs/dbraw/zinc/95/77/12/1028957712.db2.gz RBFKJHPGAZNCSO-UHFFFAOYSA-N 2 2 308.429 3.697 20 30 DHEDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000374274634 1029270356 /nfs/dbraw/zinc/27/03/56/1029270356.db2.gz ZXMJMPHAWKJURC-CQSZACIVSA-N 2 2 314.458 3.777 20 30 DHEDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000374274634 1029270367 /nfs/dbraw/zinc/27/03/67/1029270367.db2.gz ZXMJMPHAWKJURC-CQSZACIVSA-N 2 2 314.458 3.777 20 30 DHEDLP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)c1 ZINC000866259127 1030186204 /nfs/dbraw/zinc/18/62/04/1030186204.db2.gz HYXBLKGPRYAEQR-OAHLLOKOSA-N 2 2 323.440 3.566 20 30 DHEDLP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)c1 ZINC000866259127 1030186209 /nfs/dbraw/zinc/18/62/09/1030186209.db2.gz HYXBLKGPRYAEQR-OAHLLOKOSA-N 2 2 323.440 3.566 20 30 DHEDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)CC(C)(C)C#N)CC1 ZINC000925591483 1030414958 /nfs/dbraw/zinc/41/49/58/1030414958.db2.gz PTCSCILAJHDWPX-JKSUJKDBSA-N 2 2 314.477 3.525 20 30 DHEDLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCC(C)(C#N)CC1 ZINC001173600614 1033786199 /nfs/dbraw/zinc/78/61/99/1033786199.db2.gz GRJOPDVOBPDJMF-UHFFFAOYSA-N 2 2 308.429 3.777 20 30 DHEDLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCC(C)(C#N)CC1 ZINC001173600614 1033786210 /nfs/dbraw/zinc/78/62/10/1033786210.db2.gz GRJOPDVOBPDJMF-UHFFFAOYSA-N 2 2 308.429 3.777 20 30 DHEDLP CC(C)(C#N)CCCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569061 1034362908 /nfs/dbraw/zinc/36/29/08/1034362908.db2.gz HHNLJZVNBCTKIA-GOSISDBHSA-N 2 2 310.445 3.934 20 30 DHEDLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1C#N ZINC000482135131 1035059169 /nfs/dbraw/zinc/05/91/69/1035059169.db2.gz MRUZWSCSCSHUDA-QFBILLFUSA-N 2 2 317.452 3.688 20 30 DHEDLP C#C[C@@H](C)[N@H+](C)C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001193919559 1035772173 /nfs/dbraw/zinc/77/21/73/1035772173.db2.gz BFQHRIBLRXHPJX-DENIHFKCSA-N 2 2 320.480 3.856 20 30 DHEDLP C#C[C@@H](C)[N@@H+](C)C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001193919559 1035772180 /nfs/dbraw/zinc/77/21/80/1035772180.db2.gz BFQHRIBLRXHPJX-DENIHFKCSA-N 2 2 320.480 3.856 20 30 DHEDLP C#C[C@@H](C)[NH+](C)C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001193919559 1035772184 /nfs/dbraw/zinc/77/21/84/1035772184.db2.gz BFQHRIBLRXHPJX-DENIHFKCSA-N 2 2 320.480 3.856 20 30 DHEDLP C#C[C@@H](C)[NH+](C)C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001193919559 1035772188 /nfs/dbraw/zinc/77/21/88/1035772188.db2.gz BFQHRIBLRXHPJX-DENIHFKCSA-N 2 2 320.480 3.856 20 30 DHEDLP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)CC1 ZINC001196936825 1036652834 /nfs/dbraw/zinc/65/28/34/1036652834.db2.gz VEDSXARRBWTLBH-INIZCTEOSA-N 2 2 317.502 3.706 20 30 DHEDLP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)s2)CC1 ZINC001196936825 1036652841 /nfs/dbraw/zinc/65/28/41/1036652841.db2.gz VEDSXARRBWTLBH-INIZCTEOSA-N 2 2 317.502 3.706 20 30 DHEDLP CCCCCCC[N@@H+]1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001201776586 1037904833 /nfs/dbraw/zinc/90/48/33/1037904833.db2.gz FXCIVTRRFWWZGD-UHFFFAOYSA-N 2 2 318.509 3.655 20 30 DHEDLP CCCCCCC[N@H+]1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001201776586 1037904846 /nfs/dbraw/zinc/90/48/46/1037904846.db2.gz FXCIVTRRFWWZGD-UHFFFAOYSA-N 2 2 318.509 3.655 20 30 DHEDLP N#CC1(c2ccc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)cc2)CC1 ZINC000598991725 1038985712 /nfs/dbraw/zinc/98/57/12/1038985712.db2.gz DEWLXXDPKVFLAW-FQEVSTJZSA-N 2 2 323.484 3.738 20 30 DHEDLP N#CC1(c2ccc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)cc2)CC1 ZINC000598991725 1038985728 /nfs/dbraw/zinc/98/57/28/1038985728.db2.gz DEWLXXDPKVFLAW-FQEVSTJZSA-N 2 2 323.484 3.738 20 30 DHEDLP CC(C)(C#N)c1ccc(C[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000594503239 1039805240 /nfs/dbraw/zinc/80/52/40/1039805240.db2.gz SSWGCBFGDKLUND-UHFFFAOYSA-N 2 2 322.456 3.865 20 30 DHEDLP CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000594523260 1039830596 /nfs/dbraw/zinc/83/05/96/1039830596.db2.gz OJVGJPFBZHTBCH-RTBURBONSA-N 2 2 311.473 3.594 20 30 DHEDLP CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000594523260 1039830624 /nfs/dbraw/zinc/83/06/24/1039830624.db2.gz OJVGJPFBZHTBCH-RTBURBONSA-N 2 2 311.473 3.594 20 30 DHEDLP CCC(C)(C)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594967848 1039946926 /nfs/dbraw/zinc/94/69/26/1039946926.db2.gz IEQLCRQEDWEJJG-MRXNPFEDSA-N 2 2 313.489 3.937 20 30 DHEDLP C[C@H](C#N)C[NH2+]C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000602607263 1041124484 /nfs/dbraw/zinc/12/44/84/1041124484.db2.gz IBLNLQNFNCAYHN-YLJYHZDGSA-N 2 2 313.489 3.674 20 30 DHEDLP C[C@H](C#N)C[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000602607263 1041124489 /nfs/dbraw/zinc/12/44/89/1041124489.db2.gz IBLNLQNFNCAYHN-YLJYHZDGSA-N 2 2 313.489 3.674 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2cccc(Cl)c2O)CC1 ZINC000287624765 335048871 /nfs/dbraw/zinc/04/88/71/335048871.db2.gz JYOBFWZKRKKLMV-MRXNPFEDSA-N 2 2 308.853 3.737 20 30 DHEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1ccc(C#N)cc1F ZINC000298090123 132046501 /nfs/dbraw/zinc/04/65/01/132046501.db2.gz NWZIMYOYZDRXMT-UHFFFAOYSA-N 2 2 322.387 3.535 20 30 DHEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536369055 332232906 /nfs/dbraw/zinc/23/29/06/332232906.db2.gz GASVZMHFEBEANP-OAHLLOKOSA-N 2 2 306.413 3.591 20 30 DHEDLP C[C@@H]1C[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000271094850 334018339 /nfs/dbraw/zinc/01/83/39/334018339.db2.gz YAVOCHWZEWRDFX-BZYYEOTJSA-N 2 2 323.484 3.605 20 30 DHEDLP C[C@@H]1C[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000271094850 334018341 /nfs/dbraw/zinc/01/83/41/334018341.db2.gz YAVOCHWZEWRDFX-BZYYEOTJSA-N 2 2 323.484 3.605 20 30 DHEDLP C[C@@H]1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000366868981 335254482 /nfs/dbraw/zinc/25/44/82/335254482.db2.gz OZXUDRWGDWPBLB-VQIMIIECSA-N 2 2 311.473 3.548 20 30 DHEDLP C[C@H](c1ccco1)[N@H+](C)CC#CC[NH+](C)[C@@H](C)c1ccco1 ZINC000351614763 336050511 /nfs/dbraw/zinc/05/05/11/336050511.db2.gz IODDCWYMVVIJMO-IYBDPMFKSA-N 2 2 300.402 3.562 20 30 DHEDLP C[C@H](c1ccco1)[N@@H+](C)CC#CC[NH+](C)[C@@H](C)c1ccco1 ZINC000351614763 336050512 /nfs/dbraw/zinc/05/05/12/336050512.db2.gz IODDCWYMVVIJMO-IYBDPMFKSA-N 2 2 300.402 3.562 20 30 DHEDLP C[C@H](c1ccco1)[NH+](C)CC#CC[N@H+](C)[C@@H](C)c1ccco1 ZINC000351614763 336050513 /nfs/dbraw/zinc/05/05/13/336050513.db2.gz IODDCWYMVVIJMO-IYBDPMFKSA-N 2 2 300.402 3.562 20 30 DHEDLP C[C@H](c1ccco1)[NH+](C)CC#CC[N@@H+](C)[C@@H](C)c1ccco1 ZINC000351614763 336050514 /nfs/dbraw/zinc/05/05/14/336050514.db2.gz IODDCWYMVVIJMO-IYBDPMFKSA-N 2 2 300.402 3.562 20 30 DHEDLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358552889 336634355 /nfs/dbraw/zinc/63/43/55/336634355.db2.gz HMVFROBEHWPEFG-ZDUSSCGKSA-N 2 2 322.387 3.706 20 30 DHEDLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)n2c1 ZINC000418141871 336896501 /nfs/dbraw/zinc/89/65/01/336896501.db2.gz GKZRHIKLRRSMCJ-LJQANCHMSA-N 2 2 316.408 3.682 20 30 DHEDLP C=CCC[C@H](CC)[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000378186992 337068059 /nfs/dbraw/zinc/06/80/59/337068059.db2.gz YDEPNVZOOPHOIW-HFTRVMKXSA-N 2 2 321.534 3.996 20 30 DHEDLP C=CCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000378186992 337068060 /nfs/dbraw/zinc/06/80/60/337068060.db2.gz YDEPNVZOOPHOIW-HFTRVMKXSA-N 2 2 321.534 3.996 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)cc2)CC1 ZINC000177313433 337156871 /nfs/dbraw/zinc/15/68/71/337156871.db2.gz IDIKCFIDUGREEW-CYBMUJFWSA-N 2 2 323.278 3.750 20 30 DHEDLP C[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccc(C#N)c(F)c1 ZINC000423282503 337709450 /nfs/dbraw/zinc/70/94/50/337709450.db2.gz VERKKXRFYVVESC-CQSZACIVSA-N 2 2 303.425 3.660 20 30 DHEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432242209 338150080 /nfs/dbraw/zinc/15/00/80/338150080.db2.gz XJUPTUVVYOMBJM-UHFFFAOYSA-N 2 2 317.235 3.873 20 30 DHEDLP C=CCCC[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434745561 338224723 /nfs/dbraw/zinc/22/47/23/338224723.db2.gz XOTOXSLWCYDNKL-NEWSRXKRSA-N 2 2 301.478 3.751 20 30 DHEDLP C=CCCC[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434745561 338224724 /nfs/dbraw/zinc/22/47/24/338224724.db2.gz XOTOXSLWCYDNKL-NEWSRXKRSA-N 2 2 301.478 3.751 20 30 DHEDLP C=CCCC[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434745561 338224725 /nfs/dbraw/zinc/22/47/25/338224725.db2.gz XOTOXSLWCYDNKL-NEWSRXKRSA-N 2 2 301.478 3.751 20 30 DHEDLP C=CCCC[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434745561 338224726 /nfs/dbraw/zinc/22/47/26/338224726.db2.gz XOTOXSLWCYDNKL-NEWSRXKRSA-N 2 2 301.478 3.751 20 30 DHEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000439437664 338369515 /nfs/dbraw/zinc/36/95/15/338369515.db2.gz IFZNGYJOLVYHLR-BBRMVZONSA-N 2 2 305.853 3.516 20 30 DHEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000439437664 338369516 /nfs/dbraw/zinc/36/95/16/338369516.db2.gz IFZNGYJOLVYHLR-BBRMVZONSA-N 2 2 305.853 3.516 20 30 DHEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000439437664 338369517 /nfs/dbraw/zinc/36/95/17/338369517.db2.gz IFZNGYJOLVYHLR-BBRMVZONSA-N 2 2 305.853 3.516 20 30 DHEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000439437664 338369518 /nfs/dbraw/zinc/36/95/18/338369518.db2.gz IFZNGYJOLVYHLR-BBRMVZONSA-N 2 2 305.853 3.516 20 30 DHEDLP CC1(C#N)CCC([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000449063398 338589503 /nfs/dbraw/zinc/58/95/03/338589503.db2.gz MLPWTECJVNLWOT-GPJFCIFZSA-N 2 2 311.473 3.886 20 30 DHEDLP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000459479410 339031737 /nfs/dbraw/zinc/03/17/37/339031737.db2.gz OATDJZPTMVNRCM-IAGOWNOFSA-N 2 2 310.445 3.797 20 30 DHEDLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C[N@H+](Cc2ccccc2)C1 ZINC000468363599 339260726 /nfs/dbraw/zinc/26/07/26/339260726.db2.gz VENJSVIUPUAYPT-UWJYYQICSA-N 2 2 319.452 3.558 20 30 DHEDLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000468363599 339260727 /nfs/dbraw/zinc/26/07/27/339260727.db2.gz VENJSVIUPUAYPT-UWJYYQICSA-N 2 2 319.452 3.558 20 30 DHEDLP CCCC[N@H+](C)CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507658623 340227399 /nfs/dbraw/zinc/22/73/99/340227399.db2.gz HPOFEEIJYSXZQF-UHFFFAOYSA-N 2 2 313.489 3.712 20 30 DHEDLP CCCC[N@@H+](C)CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507658623 340227400 /nfs/dbraw/zinc/22/74/00/340227400.db2.gz HPOFEEIJYSXZQF-UHFFFAOYSA-N 2 2 313.489 3.712 20 30 DHEDLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccc(C#N)cc1F ZINC000512665052 340371873 /nfs/dbraw/zinc/37/18/73/340371873.db2.gz DAAHQIBENCYPLE-CYBMUJFWSA-N 2 2 322.387 3.857 20 30 DHEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530216924 340782678 /nfs/dbraw/zinc/78/26/78/340782678.db2.gz DJSXGENXQKJWRZ-YOEHRIQHSA-N 2 2 320.864 3.753 20 30 DHEDLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C#N)cc1 ZINC000075755735 341182083 /nfs/dbraw/zinc/18/20/83/341182083.db2.gz YCXQQYFSTUZGSJ-OAHLLOKOSA-N 2 2 302.381 3.595 20 30 DHEDLP CCc1[nH+]c2cc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)ccc2n1C1CC1 ZINC000549610287 341298934 /nfs/dbraw/zinc/29/89/34/341298934.db2.gz JYDVXFSWJNRAPV-UKRRQHHQSA-N 2 2 308.429 3.715 20 30 DHEDLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000245958106 341320042 /nfs/dbraw/zinc/32/00/42/341320042.db2.gz XQJUBLVSSGERQG-IAGOWNOFSA-N 2 2 307.441 3.729 20 30 DHEDLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000245958106 341320043 /nfs/dbraw/zinc/32/00/43/341320043.db2.gz XQJUBLVSSGERQG-IAGOWNOFSA-N 2 2 307.441 3.729 20 30 DHEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000577810519 341938414 /nfs/dbraw/zinc/93/84/14/341938414.db2.gz QTEGGSBZXWPTPW-LJQANCHMSA-N 2 2 308.429 3.592 20 30 DHEDLP CC(C)C1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000182008987 519554180 /nfs/dbraw/zinc/55/41/80/519554180.db2.gz HSHCHJSNNUHDKJ-UHFFFAOYSA-N 2 2 311.473 3.548 20 30 DHEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)o2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168036519 1015421618 /nfs/dbraw/zinc/42/16/18/1015421618.db2.gz UZNVSAFKHCWILX-ALXJQNPVSA-N 2 2 323.440 3.682 20 30 DHEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)o2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168036519 1015421626 /nfs/dbraw/zinc/42/16/26/1015421626.db2.gz UZNVSAFKHCWILX-ALXJQNPVSA-N 2 2 323.440 3.682 20 30 DHEDLP C[C@@H]1C[C@@H]([NH+]2CC[C@@](C)(C#N)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168056196 1016962996 /nfs/dbraw/zinc/96/29/96/1016962996.db2.gz CYQQDIDDRYZCDH-HNJRGHQBSA-N 2 2 311.473 3.664 20 30 DHEDLP C[C@@H]1C[C@@H]([NH+]2CC[C@@](C)(C#N)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168056196 1016963007 /nfs/dbraw/zinc/96/30/07/1016963007.db2.gz CYQQDIDDRYZCDH-HNJRGHQBSA-N 2 2 311.473 3.664 20 30 DHEDLP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@](C)(C#N)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056196 1016963018 /nfs/dbraw/zinc/96/30/18/1016963018.db2.gz CYQQDIDDRYZCDH-HNJRGHQBSA-N 2 2 311.473 3.664 20 30 DHEDLP C[C@@H]1C[C@@H]([N@H+]2CC[C@@](C)(C#N)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056196 1016963026 /nfs/dbraw/zinc/96/30/26/1016963026.db2.gz CYQQDIDDRYZCDH-HNJRGHQBSA-N 2 2 311.473 3.664 20 30 DHEDLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(C#N)c1 ZINC000174430944 1018429331 /nfs/dbraw/zinc/42/93/31/1018429331.db2.gz BHGBWDFWLBVPKV-OAHLLOKOSA-N 2 2 302.381 3.595 20 30 DHEDLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(C#N)cc1Cl ZINC000583602168 1018586498 /nfs/dbraw/zinc/58/64/98/1018586498.db2.gz WSXOKNDGDZYEOH-CYBMUJFWSA-N 2 2 302.809 3.539 20 30 DHEDLP CC(C)C([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000611438835 1019485471 /nfs/dbraw/zinc/48/54/71/1019485471.db2.gz INBJTFMCNZTUMG-UHFFFAOYSA-N 2 2 313.489 3.793 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657876272 1019726404 /nfs/dbraw/zinc/72/64/04/1019726404.db2.gz WIJSRJCFWBANRA-CYBMUJFWSA-N 2 2 309.404 3.710 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657876275 1019726966 /nfs/dbraw/zinc/72/69/66/1019726966.db2.gz WIJSRJCFWBANRA-ZDUSSCGKSA-N 2 2 309.404 3.710 20 30 DHEDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000850059180 1021407852 /nfs/dbraw/zinc/40/78/52/1021407852.db2.gz HMVCAMKVNZBUJH-GOSISDBHSA-N 2 2 322.456 3.643 20 30 DHEDLP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000093643740 1021639349 /nfs/dbraw/zinc/63/93/49/1021639349.db2.gz DLKGZWMPHFWMET-GOEBONIOSA-N 2 2 322.880 3.819 20 30 DHEDLP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000093643740 1021639355 /nfs/dbraw/zinc/63/93/55/1021639355.db2.gz DLKGZWMPHFWMET-GOEBONIOSA-N 2 2 322.880 3.819 20 30 DHEDLP C=CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1Cl ZINC000093643740 1021639358 /nfs/dbraw/zinc/63/93/58/1021639358.db2.gz DLKGZWMPHFWMET-GOEBONIOSA-N 2 2 322.880 3.819 20 30 DHEDLP C=CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1Cl ZINC000093643740 1021639367 /nfs/dbraw/zinc/63/93/67/1021639367.db2.gz DLKGZWMPHFWMET-GOEBONIOSA-N 2 2 322.880 3.819 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccccc2OCC)CC1 ZINC000153032022 1021934867 /nfs/dbraw/zinc/93/48/67/1021934867.db2.gz KKJOKCVRPLVLPL-INIZCTEOSA-N 2 2 302.462 3.776 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cnn(C3CCCC3)c2)CC1 ZINC000337531229 1033051933 /nfs/dbraw/zinc/05/19/33/1033051933.db2.gz VEHNZGYZETUBHU-MRXNPFEDSA-N 2 2 316.493 3.689 20 30 DHEDLP CCCCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000776746885 1022491855 /nfs/dbraw/zinc/49/18/55/1022491855.db2.gz JKKHJIFJUYIMCF-IEBWSBKVSA-N 2 2 303.494 3.852 20 30 DHEDLP CCCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000776746885 1022491859 /nfs/dbraw/zinc/49/18/59/1022491859.db2.gz JKKHJIFJUYIMCF-IEBWSBKVSA-N 2 2 303.494 3.852 20 30 DHEDLP C=CC[NH+]1CCC([NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877009511 1033204579 /nfs/dbraw/zinc/20/45/79/1033204579.db2.gz PBHMJUBABWAKJJ-UHFFFAOYSA-N 2 2 321.877 3.690 20 30 DHEDLP N#CC1(c2ccccc2)CCC([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)CC1 ZINC001170371588 1024756334 /nfs/dbraw/zinc/75/63/34/1024756334.db2.gz GMGQEKYKWOTVGF-SCCNAQOGSA-N 2 2 323.484 3.607 20 30 DHEDLP N#CC1(c2ccccc2)CCC([NH2+][C@H]2CC[N@H+](C3CCC3)C2)CC1 ZINC001170371588 1024756350 /nfs/dbraw/zinc/75/63/50/1024756350.db2.gz GMGQEKYKWOTVGF-SCCNAQOGSA-N 2 2 323.484 3.607 20 30 DHEDLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000897439147 1025316569 /nfs/dbraw/zinc/31/65/69/1025316569.db2.gz QAGFUPDGOZGVPD-UHFFFAOYSA-N 2 2 311.473 3.548 20 30 DHEDLP C[C@@]1(C[NH2+]Cc2ccc(C#N)cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000397913771 1026279834 /nfs/dbraw/zinc/27/98/34/1026279834.db2.gz JBTXWAHQXLCEFH-NRFANRHFSA-N 2 2 319.452 3.703 20 30 DHEDLP C[C@@]1(C[NH2+]Cc2ccc(C#N)cc2)CCC[N@H+]1Cc1ccccc1 ZINC000397913771 1026279844 /nfs/dbraw/zinc/27/98/44/1026279844.db2.gz JBTXWAHQXLCEFH-NRFANRHFSA-N 2 2 319.452 3.703 20 30 DHEDLP C[C@]1(C[NH2+]Cc2ccc(C#N)cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000397913774 1026280456 /nfs/dbraw/zinc/28/04/56/1026280456.db2.gz JBTXWAHQXLCEFH-OAQYLSRUSA-N 2 2 319.452 3.703 20 30 DHEDLP C[C@]1(C[NH2+]Cc2ccc(C#N)cc2)CCC[N@H+]1Cc1ccccc1 ZINC000397913774 1026280467 /nfs/dbraw/zinc/28/04/67/1026280467.db2.gz JBTXWAHQXLCEFH-OAQYLSRUSA-N 2 2 319.452 3.703 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](c2ccc(OC)cc2F)C(C)C)CC1 ZINC000421828080 1027058528 /nfs/dbraw/zinc/05/85/28/1027058528.db2.gz AXOABNMMHFMYLU-IBGZPJMESA-N 2 2 320.452 3.771 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000421839362 1027073292 /nfs/dbraw/zinc/07/32/92/1027073292.db2.gz XBMHCIMFKDMYIL-IBGZPJMESA-N 2 2 318.436 3.525 20 30 DHEDLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CCC1 ZINC000449480052 1028680126 /nfs/dbraw/zinc/68/01/26/1028680126.db2.gz XFDKTEAPRABVRW-RBUKOAKNSA-N 2 2 311.473 3.713 20 30 DHEDLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CCC1 ZINC000449480052 1028680132 /nfs/dbraw/zinc/68/01/32/1028680132.db2.gz XFDKTEAPRABVRW-RBUKOAKNSA-N 2 2 311.473 3.713 20 30 DHEDLP Cc1[nH]c2ccc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)cc2[nH+]1 ZINC001171184966 1031591309 /nfs/dbraw/zinc/59/13/09/1031591309.db2.gz QVGULUQHIKNHCA-UHFFFAOYSA-N 2 2 316.364 3.767 20 30 DHEDLP C#Cc1ccc(C[NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)cc1 ZINC001144573449 1031722657 /nfs/dbraw/zinc/72/26/57/1031722657.db2.gz KNZQKARZGFIRHS-UHFFFAOYSA-N 2 2 318.464 3.764 20 30 DHEDLP C#Cc1ccc(C[NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC001144573449 1031722662 /nfs/dbraw/zinc/72/26/62/1031722662.db2.gz KNZQKARZGFIRHS-UHFFFAOYSA-N 2 2 318.464 3.764 20 30 DHEDLP C=CCOc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000539818363 1035872979 /nfs/dbraw/zinc/87/29/79/1035872979.db2.gz XHBDHSMJUYBTPD-AEFFLSMTSA-N 2 2 302.462 3.556 20 30 DHEDLP C=CCOc1ccccc1C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000539818363 1035872996 /nfs/dbraw/zinc/87/29/96/1035872996.db2.gz XHBDHSMJUYBTPD-AEFFLSMTSA-N 2 2 302.462 3.556 20 30 DHEDLP C=CCOc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000539818363 1035873015 /nfs/dbraw/zinc/87/30/15/1035873015.db2.gz XHBDHSMJUYBTPD-AEFFLSMTSA-N 2 2 302.462 3.556 20 30 DHEDLP C=CCOc1ccccc1C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000539818363 1035873029 /nfs/dbraw/zinc/87/30/29/1035873029.db2.gz XHBDHSMJUYBTPD-AEFFLSMTSA-N 2 2 302.462 3.556 20 30 DHEDLP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)CC1 ZINC001196936827 1036652422 /nfs/dbraw/zinc/65/24/22/1036652422.db2.gz VEDSXARRBWTLBH-MRXNPFEDSA-N 2 2 317.502 3.706 20 30 DHEDLP CC1CC[NH+](CC[C@H]2CCC[N@H+]2Cc2ccc(C#N)s2)CC1 ZINC001196936827 1036652443 /nfs/dbraw/zinc/65/24/43/1036652443.db2.gz VEDSXARRBWTLBH-MRXNPFEDSA-N 2 2 317.502 3.706 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](CCc2ccccc2)C(C)C)CC1 ZINC000177911718 1037285626 /nfs/dbraw/zinc/28/56/26/1037285626.db2.gz NZACWLPPIUISAJ-HXUWFJFHSA-N 2 2 300.490 3.884 20 30 DHEDLP C=CCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000572181432 1038348424 /nfs/dbraw/zinc/34/84/24/1038348424.db2.gz FBEKSQFVDLKPHZ-LEWJYISDSA-N 2 2 306.453 3.820 20 30 DHEDLP C=CCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000572181432 1038348435 /nfs/dbraw/zinc/34/84/35/1038348435.db2.gz FBEKSQFVDLKPHZ-LEWJYISDSA-N 2 2 306.453 3.820 20 30 DHEDLP Cn1cc[nH+]c1C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccc1 ZINC000590646912 1038684431 /nfs/dbraw/zinc/68/44/31/1038684431.db2.gz YRCQCPOLZGOBCQ-QPIRBTGLSA-N 2 2 322.456 3.766 20 30 DHEDLP N#CC1CCC([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000602674733 1041141876 /nfs/dbraw/zinc/14/18/76/1041141876.db2.gz ZWDIERMXFULEGF-UHFFFAOYSA-N 2 2 314.820 3.698 20 30 DHEDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C#N)o2)CC[N@@H+]1Cc1ccccc1 ZINC000093318215 193231271 /nfs/dbraw/zinc/23/12/71/193231271.db2.gz JMTCHUCOKNZGAQ-FUHWJXTLSA-N 2 2 323.440 3.636 20 30 DHEDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC000093318215 193231274 /nfs/dbraw/zinc/23/12/74/193231274.db2.gz JMTCHUCOKNZGAQ-FUHWJXTLSA-N 2 2 323.440 3.636 20 30 DHEDLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)o2)CC[NH+]1Cc1ccccc1 ZINC000093318215 193231275 /nfs/dbraw/zinc/23/12/75/193231275.db2.gz JMTCHUCOKNZGAQ-FUHWJXTLSA-N 2 2 323.440 3.636 20 30 DHEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)o2)CC[NH+]1Cc1ccccc1 ZINC000093318215 193231277 /nfs/dbraw/zinc/23/12/77/193231277.db2.gz JMTCHUCOKNZGAQ-FUHWJXTLSA-N 2 2 323.440 3.636 20 30 DHEDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C#N)o2)CC[N@@H+]1Cc1ccccc1 ZINC000093318213 193232011 /nfs/dbraw/zinc/23/20/11/193232011.db2.gz JMTCHUCOKNZGAQ-SJLPKXTDSA-N 2 2 323.440 3.636 20 30 DHEDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC000093318213 193232012 /nfs/dbraw/zinc/23/20/12/193232012.db2.gz JMTCHUCOKNZGAQ-SJLPKXTDSA-N 2 2 323.440 3.636 20 30 DHEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)o2)CC[NH+]1Cc1ccccc1 ZINC000093318213 193232014 /nfs/dbraw/zinc/23/20/14/193232014.db2.gz JMTCHUCOKNZGAQ-SJLPKXTDSA-N 2 2 323.440 3.636 20 30 DHEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)o2)CC[NH+]1Cc1ccccc1 ZINC000093318213 193232015 /nfs/dbraw/zinc/23/20/15/193232015.db2.gz JMTCHUCOKNZGAQ-SJLPKXTDSA-N 2 2 323.440 3.636 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(-c3ccco3)s2)CC1 ZINC000193092945 335042375 /nfs/dbraw/zinc/04/23/75/335042375.db2.gz SNNKNOGBGPXIKO-UHFFFAOYSA-N 2 2 317.458 3.533 20 30 DHEDLP C#Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000289483678 335063891 /nfs/dbraw/zinc/06/38/91/335063891.db2.gz BAZLTIVCGPCCAK-IBGZPJMESA-N 2 2 319.452 3.580 20 30 DHEDLP C#Cc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000289483678 335063892 /nfs/dbraw/zinc/06/38/92/335063892.db2.gz BAZLTIVCGPCCAK-IBGZPJMESA-N 2 2 319.452 3.580 20 30 DHEDLP C=CCC(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000292862088 335097106 /nfs/dbraw/zinc/09/71/06/335097106.db2.gz CMXRFVBWHPNILZ-UHFFFAOYSA-N 2 2 311.473 3.715 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000152988921 332334776 /nfs/dbraw/zinc/33/47/76/332334776.db2.gz OIYNUABIGMGJEG-GFCCVEGCSA-N 2 2 312.379 3.795 20 30 DHEDLP C=CCOc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000066990671 335144754 /nfs/dbraw/zinc/14/47/54/335144754.db2.gz ZMOGSHPBOMQXGD-CQSZACIVSA-N 2 2 319.836 3.527 20 30 DHEDLP Cc1c[nH+]ccc1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271520837 334024380 /nfs/dbraw/zinc/02/43/80/334024380.db2.gz POIXCJQISYKZNP-UHFFFAOYSA-N 2 2 319.452 3.926 20 30 DHEDLP CCc1ccc([C@H](C[NH2+]Cc2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000053095703 334855740 /nfs/dbraw/zinc/85/57/40/334855740.db2.gz NGWAQVRPUQWHKR-FQEVSTJZSA-N 2 2 307.441 3.513 20 30 DHEDLP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1ccc(C#N)cc1Cl ZINC000375740495 337018521 /nfs/dbraw/zinc/01/85/21/337018521.db2.gz FZKHBTJWFHYBMW-OCCSQVGLSA-N 2 2 314.820 3.636 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000177910476 337158917 /nfs/dbraw/zinc/15/89/17/337158917.db2.gz WABDTEXZAVMATL-MRXNPFEDSA-N 2 2 302.462 3.775 20 30 DHEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](CCC#N)CC(C)(C)C ZINC000192035896 337302037 /nfs/dbraw/zinc/30/20/37/337302037.db2.gz WXXOMRPHEWXBJH-UHFFFAOYSA-N 2 2 310.445 3.943 20 30 DHEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000192035896 337302038 /nfs/dbraw/zinc/30/20/38/337302038.db2.gz WXXOMRPHEWXBJH-UHFFFAOYSA-N 2 2 310.445 3.943 20 30 DHEDLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000399244661 337314540 /nfs/dbraw/zinc/31/45/40/337314540.db2.gz JSMQXYDUMQQALB-UHFFFAOYSA-N 2 2 321.468 3.753 20 30 DHEDLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000399244661 337314541 /nfs/dbraw/zinc/31/45/41/337314541.db2.gz JSMQXYDUMQQALB-UHFFFAOYSA-N 2 2 321.468 3.753 20 30 DHEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000428876050 338064202 /nfs/dbraw/zinc/06/42/02/338064202.db2.gz JEEKCABHEDCHLC-UHFFFAOYSA-N 2 2 304.381 3.507 20 30 DHEDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C#N)cc1Cl ZINC000439430426 338369303 /nfs/dbraw/zinc/36/93/03/338369303.db2.gz LWNALWIGWPYNMD-INIZCTEOSA-N 2 2 305.853 3.518 20 30 DHEDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C#N)cc1Cl ZINC000439430426 338369304 /nfs/dbraw/zinc/36/93/04/338369304.db2.gz LWNALWIGWPYNMD-INIZCTEOSA-N 2 2 305.853 3.518 20 30 DHEDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(C#N)cc1Cl ZINC000439430426 338369305 /nfs/dbraw/zinc/36/93/05/338369305.db2.gz LWNALWIGWPYNMD-INIZCTEOSA-N 2 2 305.853 3.518 20 30 DHEDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(C#N)cc1Cl ZINC000439430426 338369306 /nfs/dbraw/zinc/36/93/06/338369306.db2.gz LWNALWIGWPYNMD-INIZCTEOSA-N 2 2 305.853 3.518 20 30 DHEDLP CCc1ccc([C@H](C[NH2+]C2CCC(C)(C#N)CC2)[NH+](C)C)cc1 ZINC000449059370 338589259 /nfs/dbraw/zinc/58/92/59/338589259.db2.gz AAMBBZVMGSBLHR-GPJFCIFZSA-N 2 2 313.489 3.914 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](C3CC3)C3CCC3)CC2)cc1 ZINC000453407800 338839641 /nfs/dbraw/zinc/83/96/41/338839641.db2.gz DSXIEVZXKSABLO-OAQYLSRUSA-N 2 2 323.484 3.691 20 30 DHEDLP CC(C)(CC#N)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000459734685 339045119 /nfs/dbraw/zinc/04/51/19/339045119.db2.gz SNPVKKBHSLBENV-UHFFFAOYSA-N 2 2 319.880 3.834 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](Cc2ccc(C)cc2)C(C)C)CC1 ZINC000482631724 339638051 /nfs/dbraw/zinc/63/80/51/339638051.db2.gz OPOYNIZCMHMYSF-HXUWFJFHSA-N 2 2 300.490 3.802 20 30 DHEDLP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512654737 340371258 /nfs/dbraw/zinc/37/12/58/340371258.db2.gz OHXYNHPLUYHVHM-XHSDSOJGSA-N 2 2 317.452 3.716 20 30 DHEDLP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512654737 340371259 /nfs/dbraw/zinc/37/12/59/340371259.db2.gz OHXYNHPLUYHVHM-XHSDSOJGSA-N 2 2 317.452 3.716 20 30 DHEDLP CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131766952 341111342 /nfs/dbraw/zinc/11/13/42/341111342.db2.gz TZTOZNBRGJANBY-SFHVURJKSA-N 2 2 321.424 3.536 20 30 DHEDLP CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131766952 341111343 /nfs/dbraw/zinc/11/13/43/341111343.db2.gz TZTOZNBRGJANBY-SFHVURJKSA-N 2 2 321.424 3.536 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2OC(C)C)CC1 ZINC000106246330 1015181624 /nfs/dbraw/zinc/18/16/24/1015181624.db2.gz SAODPLHUCIVRNA-UHFFFAOYSA-N 2 2 302.462 3.604 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3ncccc3C)C2)CC1 ZINC000281097840 1015830966 /nfs/dbraw/zinc/83/09/66/1015830966.db2.gz BDZTYLFXXVJZMO-PKOBYXMFSA-N 2 2 313.489 3.656 20 30 DHEDLP C=C(Br)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000125092053 1032688689 /nfs/dbraw/zinc/68/86/89/1032688689.db2.gz ZFQBWFZNQXTACF-LBPRGKRZSA-N 2 2 320.234 3.740 20 30 DHEDLP C=CC[NH+]1CCC([NH2+]Cc2ccccc2CC(F)(F)F)CC1 ZINC000631065305 1020239427 /nfs/dbraw/zinc/23/94/27/1020239427.db2.gz SIKHOXONXAABAZ-UHFFFAOYSA-N 2 2 312.379 3.531 20 30 DHEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000283010980 1020378903 /nfs/dbraw/zinc/37/89/03/1020378903.db2.gz OTKUTMHSHYMHMH-LJQANCHMSA-N 2 2 323.440 3.542 20 30 DHEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000283010980 1020378913 /nfs/dbraw/zinc/37/89/13/1020378913.db2.gz OTKUTMHSHYMHMH-LJQANCHMSA-N 2 2 323.440 3.542 20 30 DHEDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000131001905 1032912559 /nfs/dbraw/zinc/91/25/59/1032912559.db2.gz PKZXTQKJDHZEIW-MRXNPFEDSA-N 2 2 314.477 3.527 20 30 DHEDLP C[C@]1(C#N)CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987130 1032972642 /nfs/dbraw/zinc/97/26/42/1032972642.db2.gz PEOSXAWZVURLIT-UYAOXDASSA-N 2 2 311.473 3.665 20 30 DHEDLP C[C@]1(C#N)CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987130 1032972644 /nfs/dbraw/zinc/97/26/44/1032972644.db2.gz PEOSXAWZVURLIT-UYAOXDASSA-N 2 2 311.473 3.665 20 30 DHEDLP C[C@]1(C#N)CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987130 1032972648 /nfs/dbraw/zinc/97/26/48/1032972648.db2.gz PEOSXAWZVURLIT-UYAOXDASSA-N 2 2 311.473 3.665 20 30 DHEDLP C[C@]1(C#N)CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987130 1032972654 /nfs/dbraw/zinc/97/26/54/1032972654.db2.gz PEOSXAWZVURLIT-UYAOXDASSA-N 2 2 311.473 3.665 20 30 DHEDLP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000093643739 1021638170 /nfs/dbraw/zinc/63/81/70/1021638170.db2.gz DLKGZWMPHFWMET-GDBMZVCRSA-N 2 2 322.880 3.819 20 30 DHEDLP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000093643739 1021638177 /nfs/dbraw/zinc/63/81/77/1021638177.db2.gz DLKGZWMPHFWMET-GDBMZVCRSA-N 2 2 322.880 3.819 20 30 DHEDLP C=CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1Cl ZINC000093643739 1021638182 /nfs/dbraw/zinc/63/81/82/1021638182.db2.gz DLKGZWMPHFWMET-GDBMZVCRSA-N 2 2 322.880 3.819 20 30 DHEDLP C=CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1Cl ZINC000093643739 1021638188 /nfs/dbraw/zinc/63/81/88/1021638188.db2.gz DLKGZWMPHFWMET-GDBMZVCRSA-N 2 2 322.880 3.819 20 30 DHEDLP C[N@@H+]1CCC[C@@H](C[NH2+]CC#Cc2ccccc2)[C@@H]1c1cccs1 ZINC000893018112 1021801326 /nfs/dbraw/zinc/80/13/26/1021801326.db2.gz CJQAKSRPEAIPQW-AZUAARDMSA-N 2 2 324.493 3.772 20 30 DHEDLP C[N@H+]1CCC[C@@H](C[NH2+]CC#Cc2ccccc2)[C@@H]1c1cccs1 ZINC000893018112 1021801340 /nfs/dbraw/zinc/80/13/40/1021801340.db2.gz CJQAKSRPEAIPQW-AZUAARDMSA-N 2 2 324.493 3.772 20 30 DHEDLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000776728030 1022448414 /nfs/dbraw/zinc/44/84/14/1022448414.db2.gz FRZYTGHPCCJKPM-DYVFJYSZSA-N 2 2 314.408 3.659 20 30 DHEDLP CCCCCCC[C@@H](CC)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001172350011 1033134320 /nfs/dbraw/zinc/13/43/20/1033134320.db2.gz IGTNMTDQWLLZGP-MSOLQXFVSA-N 2 2 310.526 3.968 20 30 DHEDLP CCCCCCC[C@@H](CC)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001172350011 1033134328 /nfs/dbraw/zinc/13/43/28/1033134328.db2.gz IGTNMTDQWLLZGP-MSOLQXFVSA-N 2 2 310.526 3.968 20 30 DHEDLP C[C@@H](CCC#N)C[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000876825336 1033157005 /nfs/dbraw/zinc/15/70/05/1033157005.db2.gz YXQCYNUCPQFOMQ-INIZCTEOSA-N 2 2 314.477 3.569 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000268864693 1024181761 /nfs/dbraw/zinc/18/17/61/1024181761.db2.gz IPTDMJQSFISQKF-AWEZNQCLSA-N 2 2 320.502 3.718 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](C3CC3)C3CCC3)CC2)cc1 ZINC000453407783 1024503297 /nfs/dbraw/zinc/50/32/97/1024503297.db2.gz DSXIEVZXKSABLO-NRFANRHFSA-N 2 2 323.484 3.691 20 30 DHEDLP C[C@H](CC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000453423012 1024517838 /nfs/dbraw/zinc/51/78/38/1024517838.db2.gz MCSABXSWJJZRCQ-MRXNPFEDSA-N 2 2 313.489 3.937 20 30 DHEDLP C=C(C)C[NH+]1CCC(Nc2cc(C(F)(F)F)cc(C)[nH+]2)CC1 ZINC000663567895 1024563203 /nfs/dbraw/zinc/56/32/03/1024563203.db2.gz LJXSWDNQQSHWLL-UHFFFAOYSA-N 2 2 313.367 3.861 20 30 DHEDLP C=CCCCCC[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000365340270 1024633568 /nfs/dbraw/zinc/63/35/68/1024633568.db2.gz AOISSXZRXOKZRW-YJBOKZPZSA-N 2 2 321.534 3.998 20 30 DHEDLP C=CCCCCC[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000365340270 1024633577 /nfs/dbraw/zinc/63/35/77/1024633577.db2.gz AOISSXZRXOKZRW-YJBOKZPZSA-N 2 2 321.534 3.998 20 30 DHEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(C)(C)CCC#N ZINC000359881506 1025725850 /nfs/dbraw/zinc/72/58/50/1025725850.db2.gz UKHDQJRSQBHUTE-INIZCTEOSA-N 2 2 302.466 3.801 20 30 DHEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(C)(C)CCC#N ZINC000359881506 1025725863 /nfs/dbraw/zinc/72/58/63/1025725863.db2.gz UKHDQJRSQBHUTE-INIZCTEOSA-N 2 2 302.466 3.801 20 30 DHEDLP CC(C)(C#N)c1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000614169655 1025793966 /nfs/dbraw/zinc/79/39/66/1025793966.db2.gz IQTLZZKGRJEKIY-UHFFFAOYSA-N 2 2 308.429 3.590 20 30 DHEDLP N#CC1(CC[NH+]2CCC([NH+]3CCCCC3)CC2)CCCCC1 ZINC000411172575 1025864408 /nfs/dbraw/zinc/86/44/08/1025864408.db2.gz MGYMEYAPIUTTRX-UHFFFAOYSA-N 2 2 303.494 3.801 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)Sc3sccc32)CC1 ZINC000357063821 1026301440 /nfs/dbraw/zinc/30/14/40/1026301440.db2.gz BZUIWWYJIQNQCJ-IUODEOHRSA-N 2 2 308.516 3.914 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808692348 1026350253 /nfs/dbraw/zinc/35/02/53/1026350253.db2.gz PNHPPCKALPIOPQ-ZDUSSCGKSA-N 2 2 308.853 3.655 20 30 DHEDLP CC1(C#N)CCC([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000449152588 1028402101 /nfs/dbraw/zinc/40/21/01/1028402101.db2.gz GRQJJLSMHQCTOV-GPJFCIFZSA-N 2 2 311.473 3.713 20 30 DHEDLP CC1(C#N)CCC([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000449152588 1028402107 /nfs/dbraw/zinc/40/21/07/1028402107.db2.gz GRQJJLSMHQCTOV-GPJFCIFZSA-N 2 2 311.473 3.713 20 30 DHEDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000369997979 1028551993 /nfs/dbraw/zinc/55/19/93/1028551993.db2.gz QDYWSKOIJMISTD-MRXNPFEDSA-N 2 2 302.466 3.973 20 30 DHEDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000369997979 1028552001 /nfs/dbraw/zinc/55/20/01/1028552001.db2.gz QDYWSKOIJMISTD-MRXNPFEDSA-N 2 2 302.466 3.973 20 30 DHEDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CC[C@H](C#N)C2)c(C)c1 ZINC000567317031 1028872532 /nfs/dbraw/zinc/87/25/32/1028872532.db2.gz MZZQMOBPUBBNNV-LNLFQRSKSA-N 2 2 308.429 3.523 20 30 DHEDLP C=CCC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C1CC1 ZINC000121223282 1029568438 /nfs/dbraw/zinc/56/84/38/1029568438.db2.gz YMCYTDSFSHNNCU-UXPWSPDFSA-N 2 2 313.489 3.626 20 30 DHEDLP C=CCC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CC1 ZINC000121223282 1029568444 /nfs/dbraw/zinc/56/84/44/1029568444.db2.gz YMCYTDSFSHNNCU-UXPWSPDFSA-N 2 2 313.489 3.626 20 30 DHEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530216921 1029786052 /nfs/dbraw/zinc/78/60/52/1029786052.db2.gz DJSXGENXQKJWRZ-RHSMWYFYSA-N 2 2 320.864 3.753 20 30 DHEDLP C=C1CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000926924912 1031001582 /nfs/dbraw/zinc/00/15/82/1031001582.db2.gz GHOYCWAKROLCEC-XLIONFOSSA-N 2 2 313.489 3.628 20 30 DHEDLP C=C1CCC(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000926924912 1031001598 /nfs/dbraw/zinc/00/15/98/1031001598.db2.gz GHOYCWAKROLCEC-XLIONFOSSA-N 2 2 313.489 3.628 20 30 DHEDLP C=CCC[C@H](C)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000926958566 1031016433 /nfs/dbraw/zinc/01/64/33/1031016433.db2.gz ORUGBLGOOKBXQE-SFHVURJKSA-N 2 2 316.489 3.612 20 30 DHEDLP C=CCC[C@H](C)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000926958566 1031016448 /nfs/dbraw/zinc/01/64/48/1031016448.db2.gz ORUGBLGOOKBXQE-SFHVURJKSA-N 2 2 316.489 3.612 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360841129 1031584965 /nfs/dbraw/zinc/58/49/65/1031584965.db2.gz QXSSUZAGAUBFQD-FQEVSTJZSA-N 2 2 309.457 3.566 20 30 DHEDLP C[C@H](Cc1cccc(C#N)c1)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001171201636 1031760764 /nfs/dbraw/zinc/76/07/64/1031760764.db2.gz PAWYEKUNQXBDJO-OAHLLOKOSA-N 2 2 316.408 3.684 20 30 DHEDLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(C#N)CCCC2)cc1 ZINC000846010721 1031805127 /nfs/dbraw/zinc/80/51/27/1031805127.db2.gz NKSWISBWULWYCO-HNNXBMFYSA-N 2 2 308.429 3.915 20 30 DHEDLP N#CC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000594993798 1040009562 /nfs/dbraw/zinc/00/95/62/1040009562.db2.gz HBLJHFDFEXGJSU-UHFFFAOYSA-N 2 2 311.473 3.715 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3ncccc3C)C2)CC1 ZINC000281097832 334972705 /nfs/dbraw/zinc/97/27/05/334972705.db2.gz BDZTYLFXXVJZMO-HKUYNNGSSA-N 2 2 313.489 3.656 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3ncccc3C)C2)CC1 ZINC000281097835 334972741 /nfs/dbraw/zinc/97/27/41/334972741.db2.gz BDZTYLFXXVJZMO-IEBWSBKVSA-N 2 2 313.489 3.656 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2ccc(F)cc2O)CC1 ZINC000286215200 335030393 /nfs/dbraw/zinc/03/03/93/335030393.db2.gz SEYKLKKXODLGPQ-QGZVFWFLSA-N 2 2 306.425 3.613 20 30 DHEDLP CC(C)Cc1ccc([C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)[NH+](C)C)cc1 ZINC000558293689 331894124 /nfs/dbraw/zinc/89/41/24/331894124.db2.gz NLNCCDLZUCBVIK-SXLOBPIMSA-N 2 2 313.489 3.770 20 30 DHEDLP N#Cc1csc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000093016854 333243086 /nfs/dbraw/zinc/24/30/86/333243086.db2.gz MADKPQDAYTXNQF-MRXNPFEDSA-N 2 2 317.502 3.708 20 30 DHEDLP N#Cc1csc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000093016854 333243087 /nfs/dbraw/zinc/24/30/87/333243087.db2.gz MADKPQDAYTXNQF-MRXNPFEDSA-N 2 2 317.502 3.708 20 30 DHEDLP N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161343543 333373508 /nfs/dbraw/zinc/37/35/08/333373508.db2.gz OEQQSYRXCVVTEG-PMACEKPBSA-N 2 2 311.473 3.634 20 30 DHEDLP N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161343543 333373509 /nfs/dbraw/zinc/37/35/09/333373509.db2.gz OEQQSYRXCVVTEG-PMACEKPBSA-N 2 2 311.473 3.634 20 30 DHEDLP CCc1ccc([C@@H](C[NH2+]Cc2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000053095701 334855748 /nfs/dbraw/zinc/85/57/48/334855748.db2.gz NGWAQVRPUQWHKR-HXUWFJFHSA-N 2 2 307.441 3.513 20 30 DHEDLP N#CC1(c2ccccc2)CCC([NH2+]CCCCn2cc[nH+]c2)CC1 ZINC000536637682 335849483 /nfs/dbraw/zinc/84/94/83/335849483.db2.gz SYZVFQJCQUMMQY-UHFFFAOYSA-N 2 2 322.456 3.657 20 30 DHEDLP CC1CCC([NH+]2CCC([N@H+](C)Cc3ccc(C#N)o3)CC2)CC1 ZINC000122370086 337005385 /nfs/dbraw/zinc/00/53/85/337005385.db2.gz CIPMOFGMERGVPE-UHFFFAOYSA-N 2 2 315.461 3.626 20 30 DHEDLP CC1CCC([NH+]2CCC([N@@H+](C)Cc3ccc(C#N)o3)CC2)CC1 ZINC000122370086 337005386 /nfs/dbraw/zinc/00/53/86/337005386.db2.gz CIPMOFGMERGVPE-UHFFFAOYSA-N 2 2 315.461 3.626 20 30 DHEDLP C=CCC[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccco1 ZINC000375788517 337019663 /nfs/dbraw/zinc/01/96/63/337019663.db2.gz IXAXGPQSOYHHKM-MRXNPFEDSA-N 2 2 308.385 3.657 20 30 DHEDLP CC(C)(CCC#N)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376740130 337040197 /nfs/dbraw/zinc/04/01/97/337040197.db2.gz QOSOVPNHRKMTAF-INIZCTEOSA-N 2 2 314.477 3.729 20 30 DHEDLP CC(C)(CCC#N)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376740130 337040198 /nfs/dbraw/zinc/04/01/98/337040198.db2.gz QOSOVPNHRKMTAF-INIZCTEOSA-N 2 2 314.477 3.729 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)cc2)CC1 ZINC000177313417 337156841 /nfs/dbraw/zinc/15/68/41/337156841.db2.gz IDIKCFIDUGREEW-ZDUSSCGKSA-N 2 2 323.278 3.750 20 30 DHEDLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000154323906 338241207 /nfs/dbraw/zinc/24/12/07/338241207.db2.gz UMHQKNGMNPESPH-XGHQBKJUSA-N 2 2 319.452 3.872 20 30 DHEDLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000154323906 338241208 /nfs/dbraw/zinc/24/12/08/338241208.db2.gz UMHQKNGMNPESPH-XGHQBKJUSA-N 2 2 319.452 3.872 20 30 DHEDLP CC1CC[NH+]([C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)c2cccs2)CC1 ZINC000442633751 338426309 /nfs/dbraw/zinc/42/63/09/338426309.db2.gz KYKWDKROFLFNED-YESZJQIVSA-N 2 2 317.502 3.803 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000474059944 339399949 /nfs/dbraw/zinc/39/99/49/339399949.db2.gz UFGWKBQRTPVMIV-IBGZPJMESA-N 2 2 314.473 3.658 20 30 DHEDLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(C#N)cc1F ZINC000512654144 340371243 /nfs/dbraw/zinc/37/12/43/340371243.db2.gz JNECDCPEEADVDL-CYBMUJFWSA-N 2 2 303.425 3.611 20 30 DHEDLP CCc1[nH+]c2cc(C[NH2+][C@@H]3CC[C@H](C#N)C3)ccc2n1C1CC1 ZINC000549610283 341298862 /nfs/dbraw/zinc/29/88/62/341298862.db2.gz JYDVXFSWJNRAPV-DZGCQCFKSA-N 2 2 308.429 3.715 20 30 DHEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000577810518 341938475 /nfs/dbraw/zinc/93/84/75/341938475.db2.gz QTEGGSBZXWPTPW-IBGZPJMESA-N 2 2 308.429 3.592 20 30 DHEDLP CC1(C)CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181865875 520351459 /nfs/dbraw/zinc/35/14/59/520351459.db2.gz MOSTYBUKFSABTL-IBGZPJMESA-N 2 2 311.473 3.691 20 30 DHEDLP C=C(C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000346772935 1016548096 /nfs/dbraw/zinc/54/80/96/1016548096.db2.gz BTSDZDBCUMEEOF-NQIIRXRSSA-N 2 2 321.468 3.595 20 30 DHEDLP C=C(C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000346772935 1016548104 /nfs/dbraw/zinc/54/81/04/1016548104.db2.gz BTSDZDBCUMEEOF-NQIIRXRSSA-N 2 2 321.468 3.595 20 30 DHEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000764619101 1018334860 /nfs/dbraw/zinc/33/48/60/1018334860.db2.gz WLHMBIASGDOEBM-OAHLLOKOSA-N 2 2 308.853 3.564 20 30 DHEDLP C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000361867335 1018741852 /nfs/dbraw/zinc/74/18/52/1018741852.db2.gz ZFRIZVVVHQNEBX-AWEZNQCLSA-N 2 2 320.371 3.734 20 30 DHEDLP N#CCC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000090665946 1019410920 /nfs/dbraw/zinc/41/09/20/1019410920.db2.gz VZFPOQPEPJAMIZ-IBGZPJMESA-N 2 2 320.440 3.685 20 30 DHEDLP CCCCCCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177261165 1020553417 /nfs/dbraw/zinc/55/34/17/1020553417.db2.gz KMRFQVPSKGVSIX-UHFFFAOYSA-N 2 2 317.521 3.991 20 30 DHEDLP CCCCCCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177261165 1020553423 /nfs/dbraw/zinc/55/34/23/1020553423.db2.gz KMRFQVPSKGVSIX-UHFFFAOYSA-N 2 2 317.521 3.991 20 30 DHEDLP C[C@@H]1C[C@H]([NH2+]CC#Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379653115 1021677509 /nfs/dbraw/zinc/67/75/09/1021677509.db2.gz YUSGSNXVIMMLSL-DENIHFKCSA-N 2 2 318.464 3.681 20 30 DHEDLP C[C@@H]1C[C@H]([NH2+]CC#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379653115 1021677517 /nfs/dbraw/zinc/67/75/17/1021677517.db2.gz YUSGSNXVIMMLSL-DENIHFKCSA-N 2 2 318.464 3.681 20 30 DHEDLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C#N)c(F)c1 ZINC000776738667 1022478504 /nfs/dbraw/zinc/47/85/04/1022478504.db2.gz ONLMQZQRZCRGEQ-CQSZACIVSA-N 2 2 320.371 3.734 20 30 DHEDLP C=CCOc1ccccc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000349802592 1024752364 /nfs/dbraw/zinc/75/23/64/1024752364.db2.gz VHMKFXORTVIBFJ-UHFFFAOYSA-N 2 2 302.462 3.556 20 30 DHEDLP C=CCOc1ccccc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000349802592 1024752371 /nfs/dbraw/zinc/75/23/71/1024752371.db2.gz VHMKFXORTVIBFJ-UHFFFAOYSA-N 2 2 302.462 3.556 20 30 DHEDLP C=C(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)c(F)c1 ZINC000893667912 1024890544 /nfs/dbraw/zinc/89/05/44/1024890544.db2.gz GDORJJNODNSWQM-KRWWSPQJSA-N 2 2 306.400 3.797 20 30 DHEDLP C=C(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)c(F)c1 ZINC000893667912 1024890580 /nfs/dbraw/zinc/89/05/80/1024890580.db2.gz GDORJJNODNSWQM-KRWWSPQJSA-N 2 2 306.400 3.797 20 30 DHEDLP Cc1cc(C#N)ccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000614405782 1026300704 /nfs/dbraw/zinc/30/07/04/1026300704.db2.gz HABNKDATQGUYLP-UHFFFAOYSA-N 2 2 322.456 3.756 20 30 DHEDLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C[C@H]1c1ccccc1 ZINC000421891020 1027080106 /nfs/dbraw/zinc/08/01/06/1027080106.db2.gz VSMIEMYVYCORKO-YJBOKZPZSA-N 2 2 311.454 3.545 20 30 DHEDLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C[C@H]1c1ccccc1 ZINC000421891020 1027080116 /nfs/dbraw/zinc/08/01/16/1027080116.db2.gz VSMIEMYVYCORKO-YJBOKZPZSA-N 2 2 311.454 3.545 20 30 DHEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423247885 1027476288 /nfs/dbraw/zinc/47/62/88/1027476288.db2.gz LYDJDVZXGWARDX-UXHICEINSA-N 2 2 305.425 3.615 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)cc1 ZINC000527735128 1027851205 /nfs/dbraw/zinc/85/12/05/1027851205.db2.gz NOSWHNUASJDPBU-HSALFYBXSA-N 2 2 323.484 3.548 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527859300 1027922494 /nfs/dbraw/zinc/92/24/94/1027922494.db2.gz PPNWMDGCJQRSQL-QGZVFWFLSA-N 2 2 308.828 3.706 20 30 DHEDLP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cccc(C#N)c1O ZINC000866265243 1030188492 /nfs/dbraw/zinc/18/84/92/1030188492.db2.gz JLDORKGOVIIQIT-INIZCTEOSA-N 2 2 315.461 3.571 20 30 DHEDLP C=C1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000926924910 1030999243 /nfs/dbraw/zinc/99/92/43/1030999243.db2.gz GHOYCWAKROLCEC-FXAWDEMLSA-N 2 2 313.489 3.628 20 30 DHEDLP C=C1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000926924910 1030999264 /nfs/dbraw/zinc/99/92/64/1030999264.db2.gz GHOYCWAKROLCEC-FXAWDEMLSA-N 2 2 313.489 3.628 20 30 DHEDLP C#CCCCCCC[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000877615721 1033383091 /nfs/dbraw/zinc/38/30/91/1033383091.db2.gz VQTMGJAZSCTPNB-UHFFFAOYSA-N 2 2 323.484 3.696 20 30 DHEDLP CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001173265343 1033636404 /nfs/dbraw/zinc/63/64/04/1033636404.db2.gz SIBRDCWNXVVGQD-UZLBHIALSA-N 2 2 311.473 3.691 20 30 DHEDLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C#N)cc1 ZINC000774149425 1036197924 /nfs/dbraw/zinc/19/79/24/1036197924.db2.gz WILZLFVZTFJPPS-FQEVSTJZSA-N 2 2 316.408 3.985 20 30 DHEDLP CC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271831446 1036550335 /nfs/dbraw/zinc/55/03/35/1036550335.db2.gz DWHCTUXKSIXGCG-UYAOXDASSA-N 2 2 311.473 3.691 20 30 DHEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)C(C)C ZINC001199197753 1037214263 /nfs/dbraw/zinc/21/42/63/1037214263.db2.gz IZNPGXVNMBEQJM-QRVBRYPASA-N 2 2 322.537 3.868 20 30 DHEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000398000485 1037578057 /nfs/dbraw/zinc/57/80/57/1037578057.db2.gz VRNDYRULILXLTR-UGKGYDQZSA-N 2 2 318.464 3.538 20 30 DHEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000398000485 1037578068 /nfs/dbraw/zinc/57/80/68/1037578068.db2.gz VRNDYRULILXLTR-UGKGYDQZSA-N 2 2 318.464 3.538 20 30 DHEDLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2(C#N)CCCC2)CC1 ZINC000593653239 1039580040 /nfs/dbraw/zinc/58/00/40/1039580040.db2.gz GINVYQZIKJZYPR-AEFFLSMTSA-N 2 2 303.494 3.703 20 30 DHEDLP C=CCCCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594509319 1039812191 /nfs/dbraw/zinc/81/21/91/1039812191.db2.gz HMCIYYGAQNNINQ-UHFFFAOYSA-N 2 2 311.473 3.859 20 30 DHEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594519914 1039826685 /nfs/dbraw/zinc/82/66/85/1039826685.db2.gz MPWWGEMIENNASH-ZCNNSNEGSA-N 2 2 309.457 3.542 20 30 DHEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594519914 1039826707 /nfs/dbraw/zinc/82/67/07/1039826707.db2.gz MPWWGEMIENNASH-ZCNNSNEGSA-N 2 2 309.457 3.542 20 30 DHEDLP CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000594523259 1039829327 /nfs/dbraw/zinc/82/93/27/1039829327.db2.gz OJVGJPFBZHTBCH-RBUKOAKNSA-N 2 2 311.473 3.594 20 30 DHEDLP CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000594523259 1039829350 /nfs/dbraw/zinc/82/93/50/1039829350.db2.gz OJVGJPFBZHTBCH-RBUKOAKNSA-N 2 2 311.473 3.594 20 30 DHEDLP C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000595100024 1040066598 /nfs/dbraw/zinc/06/65/98/1040066598.db2.gz SIWNQZLXZCHZCZ-MRXNPFEDSA-N 2 2 308.429 3.997 20 30 DHEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595511495 1040158289 /nfs/dbraw/zinc/15/82/89/1040158289.db2.gz RRXXGRHEJGCMPT-KRWDZBQOSA-N 2 2 319.452 3.873 20 30 DHEDLP C[C@H](C#N)C[NH2+]C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000602607262 1041125318 /nfs/dbraw/zinc/12/53/18/1041125318.db2.gz IBLNLQNFNCAYHN-XLIONFOSSA-N 2 2 313.489 3.674 20 30 DHEDLP C[C@H](C#N)C[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000602607262 1041125324 /nfs/dbraw/zinc/12/53/24/1041125324.db2.gz IBLNLQNFNCAYHN-XLIONFOSSA-N 2 2 313.489 3.674 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000093405887 335000662 /nfs/dbraw/zinc/00/06/62/335000662.db2.gz LNNRQUDJVIDICZ-AWEZNQCLSA-N 2 2 319.518 3.713 20 30 DHEDLP C#Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000289483687 335063901 /nfs/dbraw/zinc/06/39/01/335063901.db2.gz BAZLTIVCGPCCAK-LJQANCHMSA-N 2 2 319.452 3.580 20 30 DHEDLP C#Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000289483687 335063902 /nfs/dbraw/zinc/06/39/02/335063902.db2.gz BAZLTIVCGPCCAK-LJQANCHMSA-N 2 2 319.452 3.580 20 30 DHEDLP N#C[C@H]1CCC[C@H]([NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000185754769 333213440 /nfs/dbraw/zinc/21/34/40/333213440.db2.gz FPKHYQYICNKKJA-HRCADAONSA-N 2 2 303.475 3.557 20 30 DHEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCCC12CCOCC2)C(C)C ZINC000502255708 333287412 /nfs/dbraw/zinc/28/74/12/333287412.db2.gz NKEJFICTJODAED-MOPGFXCFSA-N 2 2 320.521 3.624 20 30 DHEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@@H]1CCCC12CCOCC2)C(C)C ZINC000502255712 333287506 /nfs/dbraw/zinc/28/75/06/333287506.db2.gz NKEJFICTJODAED-RBUKOAKNSA-N 2 2 320.521 3.624 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000185383906 335132423 /nfs/dbraw/zinc/13/24/23/335132423.db2.gz IFHSNRILMWJYDF-HNNXBMFYSA-N 2 2 314.473 3.572 20 30 DHEDLP Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC000443005714 338441725 /nfs/dbraw/zinc/44/17/25/338441725.db2.gz YKJFKNDLIQZQHG-JXFKEZNVSA-N 2 2 307.441 3.648 20 30 DHEDLP N#CCc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000343762778 335191206 /nfs/dbraw/zinc/19/12/06/335191206.db2.gz VNHMEGUSGHIVLM-UHFFFAOYSA-N 2 2 322.456 3.642 20 30 DHEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C2 ZINC000332649293 336177764 /nfs/dbraw/zinc/17/77/64/336177764.db2.gz TVKZUMCSXWNNDJ-XAUUPUKJSA-N 2 2 314.477 3.557 20 30 DHEDLP C=CC[NH+]1CCC(Nc2cc(C(C)(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000302784781 336369039 /nfs/dbraw/zinc/36/90/39/336369039.db2.gz VAMDTVJQWRBRKQ-UHFFFAOYSA-N 2 2 316.493 3.960 20 30 DHEDLP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1ccc(C#N)cc1Cl ZINC000375740496 337018472 /nfs/dbraw/zinc/01/84/72/337018472.db2.gz FZKHBTJWFHYBMW-TZMCWYRMSA-N 2 2 314.820 3.636 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cnc3ccsc3c2)CC1 ZINC000177911331 337158802 /nfs/dbraw/zinc/15/88/02/337158802.db2.gz SBIPFKWYCUFHQK-ZDUSSCGKSA-N 2 2 301.459 3.597 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OCCC)cc2)CC1 ZINC000177913803 337158871 /nfs/dbraw/zinc/15/88/71/337158871.db2.gz SNRYPGSAMZIXSJ-MRXNPFEDSA-N 2 2 302.462 3.776 20 30 DHEDLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000181568864 337182991 /nfs/dbraw/zinc/18/29/91/337182991.db2.gz XLZCBYTYBRQHKP-HNNXBMFYSA-N 2 2 302.381 3.595 20 30 DHEDLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(C#N)s1 ZINC000183255703 337192653 /nfs/dbraw/zinc/19/26/53/337192653.db2.gz UJZQALFRDSWNBU-CYBMUJFWSA-N 2 2 308.410 3.656 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(C)c(OC)cc2C)CC1 ZINC000273148066 337651087 /nfs/dbraw/zinc/65/10/87/337651087.db2.gz GWHIDYHWCPDNSS-MRXNPFEDSA-N 2 2 302.462 3.613 20 30 DHEDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCC[C@@H](C#N)C2)c(C)c1 ZINC000463247221 339111785 /nfs/dbraw/zinc/11/17/85/339111785.db2.gz VACFDHGCROVXFP-GGPKGHCWSA-N 2 2 322.456 3.913 20 30 DHEDLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc(C#N)c2)C1 ZINC000512170997 340350854 /nfs/dbraw/zinc/35/08/54/340350854.db2.gz VHKAYKARLDVWHF-XLIONFOSSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc(C#N)c2)C1 ZINC000512170997 340350855 /nfs/dbraw/zinc/35/08/55/340350855.db2.gz VHKAYKARLDVWHF-XLIONFOSSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000512170997 340350856 /nfs/dbraw/zinc/35/08/56/340350856.db2.gz VHKAYKARLDVWHF-XLIONFOSSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000512170997 340350857 /nfs/dbraw/zinc/35/08/57/340350857.db2.gz VHKAYKARLDVWHF-XLIONFOSSA-N 2 2 311.473 3.645 20 30 DHEDLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000512666316 340372116 /nfs/dbraw/zinc/37/21/16/340372116.db2.gz JWIBTKJOJGVMPG-AWEZNQCLSA-N 2 2 303.425 3.612 20 30 DHEDLP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512672455 340372368 /nfs/dbraw/zinc/37/23/68/340372368.db2.gz KSURLQAIXQBLHG-OAHLLOKOSA-N 2 2 305.441 3.860 20 30 DHEDLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543960844 341064332 /nfs/dbraw/zinc/06/43/32/341064332.db2.gz BUGGRIHGCMKMSG-XFQAVAEZSA-N 2 2 319.452 3.826 20 30 DHEDLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543960844 341064333 /nfs/dbraw/zinc/06/43/33/341064333.db2.gz BUGGRIHGCMKMSG-XFQAVAEZSA-N 2 2 319.452 3.826 20 30 DHEDLP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181584126 524408091 /nfs/dbraw/zinc/40/80/91/524408091.db2.gz QRASHNLFERTNAO-UZLBHIALSA-N 2 2 311.473 3.691 20 30 DHEDLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccc(C#N)cc1 ZINC000181586345 525346757 /nfs/dbraw/zinc/34/67/57/525346757.db2.gz UZZBBIISMHELIV-AWEZNQCLSA-N 2 2 304.397 3.718 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121309133 1013524643 /nfs/dbraw/zinc/52/46/43/1013524643.db2.gz FTEAXPOJOMBKSN-GOSISDBHSA-N 2 2 306.400 3.582 20 30 DHEDLP N#CCC[N@H+](C1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167993741 1013772313 /nfs/dbraw/zinc/77/23/13/1013772313.db2.gz QUWMWTUIDKDTHR-DFNIBXOVSA-N 2 2 301.478 3.550 20 30 DHEDLP N#CCC[N@@H+](C1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167993741 1013772317 /nfs/dbraw/zinc/77/23/17/1013772317.db2.gz QUWMWTUIDKDTHR-DFNIBXOVSA-N 2 2 301.478 3.550 20 30 DHEDLP N#CCC[NH+](C1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167993741 1013772326 /nfs/dbraw/zinc/77/23/26/1013772326.db2.gz QUWMWTUIDKDTHR-DFNIBXOVSA-N 2 2 301.478 3.550 20 30 DHEDLP N#CCC[NH+](C1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167993741 1013772334 /nfs/dbraw/zinc/77/23/34/1013772334.db2.gz QUWMWTUIDKDTHR-DFNIBXOVSA-N 2 2 301.478 3.550 20 30 DHEDLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000278593512 1018897130 /nfs/dbraw/zinc/89/71/30/1018897130.db2.gz LHWMBFMOCVTPBF-INIZCTEOSA-N 2 2 321.424 3.866 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)Cc2ccc(Cl)cc2)CC1 ZINC000657875142 1019725847 /nfs/dbraw/zinc/72/58/47/1019725847.db2.gz GVLTYXJHLKXZIA-KRWDZBQOSA-N 2 2 306.881 3.901 20 30 DHEDLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(C#N)cc1 ZINC000181471334 1021192607 /nfs/dbraw/zinc/19/26/07/1021192607.db2.gz QTPLTXPDYCJCDU-INIZCTEOSA-N 2 2 316.408 3.654 20 30 DHEDLP C[C@@]1(C#N)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172091056 1032985503 /nfs/dbraw/zinc/98/55/03/1032985503.db2.gz ZZSRRCRWVLAANB-WOZUAGRISA-N 2 2 323.484 3.808 20 30 DHEDLP C[C@@]1(C#N)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172091056 1032985511 /nfs/dbraw/zinc/98/55/11/1032985511.db2.gz ZZSRRCRWVLAANB-WOZUAGRISA-N 2 2 323.484 3.808 20 30 DHEDLP C[C@@]1(C#N)CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172091056 1032985479 /nfs/dbraw/zinc/98/54/79/1032985479.db2.gz ZZSRRCRWVLAANB-WOZUAGRISA-N 2 2 323.484 3.808 20 30 DHEDLP C[C@@]1(C#N)CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172091056 1032985487 /nfs/dbraw/zinc/98/54/87/1032985487.db2.gz ZZSRRCRWVLAANB-WOZUAGRISA-N 2 2 323.484 3.808 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cnn(C3CCCC3)c2)CC1 ZINC000337531227 1033053051 /nfs/dbraw/zinc/05/30/51/1033053051.db2.gz VEHNZGYZETUBHU-INIZCTEOSA-N 2 2 316.493 3.689 20 30 DHEDLP C=CCC[C@H](CC)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000538589883 1033112565 /nfs/dbraw/zinc/11/25/65/1033112565.db2.gz DQGFDZXYANRAFL-INIZCTEOSA-N 2 2 316.493 3.769 20 30 DHEDLP CSc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1C#N ZINC000925773708 1024354043 /nfs/dbraw/zinc/35/40/43/1024354043.db2.gz OKRCQVMHHXVWCW-IAGOWNOFSA-N 2 2 309.438 3.515 20 30 DHEDLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@H](C)CCCC#N)CC1 ZINC001172487719 1033220017 /nfs/dbraw/zinc/22/00/17/1033220017.db2.gz IWSDCOFAGSWJQT-MRXNPFEDSA-N 2 2 317.452 3.771 20 30 DHEDLP C#CCCCCCC[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000877066076 1033224937 /nfs/dbraw/zinc/22/49/37/1033224937.db2.gz CCJAGGKTJCJXMN-LJQANCHMSA-N 2 2 309.457 3.877 20 30 DHEDLP CC(C)(CCC#N)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000349359750 1024704880 /nfs/dbraw/zinc/70/48/80/1024704880.db2.gz ZWTRNYXNEBZSEQ-UHFFFAOYSA-N 2 2 302.466 3.705 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3c(Cl)cccc32)CC1 ZINC000349468679 1024721770 /nfs/dbraw/zinc/72/17/70/1024721770.db2.gz ZGPNNQROWMZNJR-SFHVURJKSA-N 2 2 304.865 3.957 20 30 DHEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411417930 1025999246 /nfs/dbraw/zinc/99/92/46/1025999246.db2.gz FPDKTBMWIYKORT-KRWDZBQOSA-N 2 2 314.477 3.539 20 30 DHEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411417930 1025999265 /nfs/dbraw/zinc/99/92/65/1025999265.db2.gz FPDKTBMWIYKORT-KRWDZBQOSA-N 2 2 314.477 3.539 20 30 DHEDLP N#CC1CCC(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000931706211 1027226056 /nfs/dbraw/zinc/22/60/56/1027226056.db2.gz AXECQMWGJZEHOO-TVPLGVNVSA-N 2 2 308.429 3.544 20 30 DHEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373486514 1029061352 /nfs/dbraw/zinc/06/13/52/1029061352.db2.gz SCNVGKLHPMKKEF-LOCSVTFISA-N 2 2 318.427 3.982 20 30 DHEDLP C=CC(C)(C)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000872102662 1031493193 /nfs/dbraw/zinc/49/31/93/1031493193.db2.gz SAWUVJURKGNAKL-PKOBYXMFSA-N 2 2 315.505 3.874 20 30 DHEDLP C=CC(C)(C)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000872102662 1031493198 /nfs/dbraw/zinc/49/31/98/1031493198.db2.gz SAWUVJURKGNAKL-PKOBYXMFSA-N 2 2 315.505 3.874 20 30 DHEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000360646334 1031503502 /nfs/dbraw/zinc/50/35/02/1031503502.db2.gz HTCXZHAHCFUHRE-LJQANCHMSA-N 2 2 320.440 3.813 20 30 DHEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000360834501 1031582335 /nfs/dbraw/zinc/58/23/35/1031582335.db2.gz IPLPGMIHFOBZEQ-XUVXKRRUSA-N 2 2 309.457 3.542 20 30 DHEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000360834501 1031582341 /nfs/dbraw/zinc/58/23/41/1031582341.db2.gz IPLPGMIHFOBZEQ-XUVXKRRUSA-N 2 2 309.457 3.542 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360841130 1031584849 /nfs/dbraw/zinc/58/48/49/1031584849.db2.gz QXSSUZAGAUBFQD-HXUWFJFHSA-N 2 2 309.457 3.566 20 30 DHEDLP CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000598998677 1038979438 /nfs/dbraw/zinc/97/94/38/1038979438.db2.gz UFZHJXBJVHBGPD-LJQANCHMSA-N 2 2 311.473 3.594 20 30 DHEDLP CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000598998677 1038979454 /nfs/dbraw/zinc/97/94/54/1038979454.db2.gz UFZHJXBJVHBGPD-LJQANCHMSA-N 2 2 311.473 3.594 20 30 DHEDLP Cc1cc(C#N)ccc1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595507901 1040157548 /nfs/dbraw/zinc/15/75/48/1040157548.db2.gz DCLSEAOTDIKXGA-UHFFFAOYSA-N 2 2 319.452 3.621 20 30 DHEDLP Cc1ccc([C@H](C[NH2+]Cc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000057970340 334952979 /nfs/dbraw/zinc/95/29/79/334952979.db2.gz IXEOEVAZYIAFCT-NRFANRHFSA-N 2 2 319.452 3.793 20 30 DHEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536369029 332232857 /nfs/dbraw/zinc/23/28/57/332232857.db2.gz GASVZMHFEBEANP-HNNXBMFYSA-N 2 2 306.413 3.591 20 30 DHEDLP CC(C)(CCC#N)C[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000174238365 333083822 /nfs/dbraw/zinc/08/38/22/333083822.db2.gz VPUXRCPKZLBZJX-OAHLLOKOSA-N 2 2 305.491 3.805 20 30 DHEDLP CC[N@H+](CCCCCn1c(C)[nH+]c2ccccc21)C[C@@H](C)C#N ZINC000463078465 333157290 /nfs/dbraw/zinc/15/72/90/333157290.db2.gz SFPOJVAXTGTQOX-INIZCTEOSA-N 2 2 312.461 3.997 20 30 DHEDLP CC[N@@H+](CCCCCn1c(C)[nH+]c2ccccc21)C[C@@H](C)C#N ZINC000463078465 333157291 /nfs/dbraw/zinc/15/72/91/333157291.db2.gz SFPOJVAXTGTQOX-INIZCTEOSA-N 2 2 312.461 3.997 20 30 DHEDLP C=C(C)C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1 ZINC000161247569 333372827 /nfs/dbraw/zinc/37/28/27/333372827.db2.gz SBLHLJCWLYHXTQ-UHFFFAOYSA-N 2 2 313.445 3.750 20 30 DHEDLP C=C(C)C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1 ZINC000161247569 333372828 /nfs/dbraw/zinc/37/28/28/333372828.db2.gz SBLHLJCWLYHXTQ-UHFFFAOYSA-N 2 2 313.445 3.750 20 30 DHEDLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[N@H+](Cc2ccccc2)C1 ZINC000294979740 334215231 /nfs/dbraw/zinc/21/52/31/334215231.db2.gz GKZLWCBYFVCLAJ-QGZVKYPTSA-N 2 2 311.473 3.569 20 30 DHEDLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000294979740 334215232 /nfs/dbraw/zinc/21/52/32/334215232.db2.gz GKZLWCBYFVCLAJ-QGZVKYPTSA-N 2 2 311.473 3.569 20 30 DHEDLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(C#N)c(F)c1 ZINC000346177226 335378102 /nfs/dbraw/zinc/37/81/02/335378102.db2.gz ILLSAPMHABRLCT-CQSZACIVSA-N 2 2 320.371 3.734 20 30 DHEDLP C[C@H](CC[NH2+][C@@H](C)c1ccc(C#N)cc1F)[NH+]1CCCCC1 ZINC000346884330 335448240 /nfs/dbraw/zinc/44/82/40/335448240.db2.gz ZPTFOSFLSDMSOF-CABCVRRESA-N 2 2 303.425 3.612 20 30 DHEDLP C[C@H](c1ccco1)[NH+](C)CC#CC[N@@H+](C)[C@H](C)c1ccco1 ZINC000351614762 336050692 /nfs/dbraw/zinc/05/06/92/336050692.db2.gz IODDCWYMVVIJMO-HZPDHXFCSA-N 2 2 300.402 3.562 20 30 DHEDLP C[C@H](c1ccco1)[NH+](C)CC#CC[N@H+](C)[C@H](C)c1ccco1 ZINC000351614762 336050693 /nfs/dbraw/zinc/05/06/93/336050693.db2.gz IODDCWYMVVIJMO-HZPDHXFCSA-N 2 2 300.402 3.562 20 30 DHEDLP Cc1ccc(CCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)c[nH+]1 ZINC000418151369 336897983 /nfs/dbraw/zinc/89/79/83/336897983.db2.gz XBTKKASRKFRCOC-FQEVSTJZSA-N 2 2 305.425 3.862 20 30 DHEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000377726303 337059686 /nfs/dbraw/zinc/05/96/86/337059686.db2.gz XDXFHTVLJAIKSA-GOSISDBHSA-N 2 2 308.429 3.543 20 30 DHEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000377726303 337059687 /nfs/dbraw/zinc/05/96/87/337059687.db2.gz XDXFHTVLJAIKSA-GOSISDBHSA-N 2 2 308.429 3.543 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000177904456 337158851 /nfs/dbraw/zinc/15/88/51/337158851.db2.gz CPPPXGDVPZHIAG-MRXNPFEDSA-N 2 2 306.450 3.603 20 30 DHEDLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(C#N)cc1 ZINC000192940475 337308694 /nfs/dbraw/zinc/30/86/94/337308694.db2.gz CAVPALYSRYVJNH-AWEZNQCLSA-N 2 2 320.371 3.734 20 30 DHEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000268859454 337635567 /nfs/dbraw/zinc/63/55/67/337635567.db2.gz YPAABHVJEGOHHQ-HUUCEWRRSA-N 2 2 319.836 3.754 20 30 DHEDLP C=CC(C)(C)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000527738773 337763247 /nfs/dbraw/zinc/76/32/47/337763247.db2.gz WLHBYVIRBNRUKT-UHFFFAOYSA-N 2 2 311.473 3.715 20 30 DHEDLP C=CC[N@@H+](C)Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000428367925 338049095 /nfs/dbraw/zinc/04/90/95/338049095.db2.gz AROIVPCHBWWUDT-UHFFFAOYSA-N 2 2 321.424 3.840 20 30 DHEDLP C=CCOc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1Cl ZINC000432802284 338168466 /nfs/dbraw/zinc/16/84/66/338168466.db2.gz ZBVPIESFMQXZPX-INIZCTEOSA-N 2 2 322.880 3.821 20 30 DHEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1Cl ZINC000432802284 338168467 /nfs/dbraw/zinc/16/84/67/338168467.db2.gz ZBVPIESFMQXZPX-INIZCTEOSA-N 2 2 322.880 3.821 20 30 DHEDLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000154323681 338241253 /nfs/dbraw/zinc/24/12/53/338241253.db2.gz UMHQKNGMNPESPH-FIKGOQFSSA-N 2 2 319.452 3.872 20 30 DHEDLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000154323681 338241254 /nfs/dbraw/zinc/24/12/54/338241254.db2.gz UMHQKNGMNPESPH-FIKGOQFSSA-N 2 2 319.452 3.872 20 30 DHEDLP N#CC[N@@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459529430 339034149 /nfs/dbraw/zinc/03/41/49/339034149.db2.gz DVBYWBNTAOAKTD-HXUWFJFHSA-N 2 2 311.473 3.667 20 30 DHEDLP N#CC[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459529430 339034150 /nfs/dbraw/zinc/03/41/50/339034150.db2.gz DVBYWBNTAOAKTD-HXUWFJFHSA-N 2 2 311.473 3.667 20 30 DHEDLP C=CCOc1cccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000506379430 340193692 /nfs/dbraw/zinc/19/36/92/340193692.db2.gz IDFRWWYEGQXORR-UHFFFAOYSA-N 2 2 314.473 3.702 20 30 DHEDLP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1cccc(C#N)c1)c1ccccc1 ZINC000074372350 341144811 /nfs/dbraw/zinc/14/48/11/341144811.db2.gz WRNYYEGDSFXJDK-INIZCTEOSA-N 2 2 307.441 3.777 20 30 DHEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000338353299 526075111 /nfs/dbraw/zinc/07/51/11/526075111.db2.gz KKMGJDICWQGAND-INIZCTEOSA-N 2 2 316.408 3.903 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(C4CC4)CCC3)CC2)cc1 ZINC000182059127 526609127 /nfs/dbraw/zinc/60/91/27/526609127.db2.gz SBMPKWNWAYQCIF-UHFFFAOYSA-N 2 2 323.484 3.693 20 30 DHEDLP C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168009221 1014485145 /nfs/dbraw/zinc/48/51/45/1014485145.db2.gz ZGVQFDMWFNBWGY-IZZQQSIFSA-N 2 2 311.473 3.711 20 30 DHEDLP C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168009221 1014485153 /nfs/dbraw/zinc/48/51/53/1014485153.db2.gz ZGVQFDMWFNBWGY-IZZQQSIFSA-N 2 2 311.473 3.711 20 30 DHEDLP C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000346534294 1016433006 /nfs/dbraw/zinc/43/30/06/1016433006.db2.gz OPYPCLBDVJIXIP-INIZCTEOSA-N 2 2 316.408 3.789 20 30 DHEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000925178441 1018072137 /nfs/dbraw/zinc/07/21/37/1018072137.db2.gz JWTWMUONARIITA-RDJZCZTQSA-N 2 2 310.445 3.622 20 30 DHEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000611391878 1019466535 /nfs/dbraw/zinc/46/65/35/1019466535.db2.gz CMPIXAPGQMZBLE-LJQANCHMSA-N 2 2 320.440 3.813 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000268864697 1024181163 /nfs/dbraw/zinc/18/11/63/1024181163.db2.gz IPTDMJQSFISQKF-CQSZACIVSA-N 2 2 320.502 3.718 20 30 DHEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171698 1025800066 /nfs/dbraw/zinc/80/00/66/1025800066.db2.gz WUBIRLLLDCERFM-MOPGFXCFSA-N 2 2 311.473 3.546 20 30 DHEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171698 1025800097 /nfs/dbraw/zinc/80/00/97/1025800097.db2.gz WUBIRLLLDCERFM-MOPGFXCFSA-N 2 2 311.473 3.546 20 30 DHEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171698 1025800120 /nfs/dbraw/zinc/80/01/20/1025800120.db2.gz WUBIRLLLDCERFM-MOPGFXCFSA-N 2 2 311.473 3.546 20 30 DHEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171698 1025800140 /nfs/dbraw/zinc/80/01/40/1025800140.db2.gz WUBIRLLLDCERFM-MOPGFXCFSA-N 2 2 311.473 3.546 20 30 DHEDLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000423498344 1027565003 /nfs/dbraw/zinc/56/50/03/1027565003.db2.gz IAOVDSTZADZNFW-VQTJNVASSA-N 2 2 307.441 3.861 20 30 DHEDLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000600860645 1027873926 /nfs/dbraw/zinc/87/39/26/1027873926.db2.gz ZGCKDOYUMVQUFC-UHFFFAOYSA-N 2 2 323.484 3.692 20 30 DHEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCC(C)(C)C#N ZINC000370000482 1028551263 /nfs/dbraw/zinc/55/12/63/1028551263.db2.gz YITWYDQVWZZTCD-MRXNPFEDSA-N 2 2 302.466 3.801 20 30 DHEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000370000482 1028551278 /nfs/dbraw/zinc/55/12/78/1028551278.db2.gz YITWYDQVWZZTCD-MRXNPFEDSA-N 2 2 302.466 3.801 20 30 DHEDLP CC(C)(CCC#N)C[NH2+]C1CC[NH+](Cc2ccsc2)CC1 ZINC000371797163 1028762343 /nfs/dbraw/zinc/76/23/43/1028762343.db2.gz RWWZSBVTHMHJKC-UHFFFAOYSA-N 2 2 305.491 3.632 20 30 DHEDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000374274633 1029270685 /nfs/dbraw/zinc/27/06/85/1029270685.db2.gz ZXMJMPHAWKJURC-AWEZNQCLSA-N 2 2 314.458 3.777 20 30 DHEDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000374274633 1029270704 /nfs/dbraw/zinc/27/07/04/1029270704.db2.gz ZXMJMPHAWKJURC-AWEZNQCLSA-N 2 2 314.458 3.777 20 30 DHEDLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(C#N)cc1F ZINC000358555376 1030535301 /nfs/dbraw/zinc/53/53/01/1030535301.db2.gz KVOLSTDSQQCTBH-AWEZNQCLSA-N 2 2 320.371 3.734 20 30 DHEDLP CC(C)(C#N)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926875335 1030961304 /nfs/dbraw/zinc/96/13/04/1030961304.db2.gz YWDXUETZIKQUJS-YQQQUEKLSA-N 2 2 311.473 3.711 20 30 DHEDLP CC(C)(C#N)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926875335 1030961323 /nfs/dbraw/zinc/96/13/23/1030961323.db2.gz YWDXUETZIKQUJS-YQQQUEKLSA-N 2 2 311.473 3.711 20 30 DHEDLP C=CCOC1CCC([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001173325943 1033686110 /nfs/dbraw/zinc/68/61/10/1033686110.db2.gz UGKGOJQMDVCMEX-UHFFFAOYSA-N 2 2 320.521 3.839 20 30 DHEDLP C=CCOC1CCC([N@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001173325943 1033686117 /nfs/dbraw/zinc/68/61/17/1033686117.db2.gz UGKGOJQMDVCMEX-UHFFFAOYSA-N 2 2 320.521 3.839 20 30 DHEDLP CC(C)(C#N)c1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000880473738 1034344574 /nfs/dbraw/zinc/34/45/74/1034344574.db2.gz MPDCCQOBQKKIBM-UHFFFAOYSA-N 2 2 311.473 3.548 20 30 DHEDLP Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001177565495 1035381036 /nfs/dbraw/zinc/38/10/36/1035381036.db2.gz CLMUWSPRLCICSJ-UHFFFAOYSA-N 2 2 316.408 3.651 20 30 DHEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595509426 1036210643 /nfs/dbraw/zinc/21/06/43/1036210643.db2.gz UDOJRWQIBKNFRU-KRWDZBQOSA-N 2 2 319.452 3.873 20 30 DHEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCC[C@H](OC)CC1)C(C)C ZINC001199197754 1037214647 /nfs/dbraw/zinc/21/46/47/1037214647.db2.gz JDWPMLICACXDMR-CEXWTWQISA-N 2 2 308.510 3.622 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2c3cccc(F)c3CC[C@@H]2C)CC1 ZINC000177905249 1037282612 /nfs/dbraw/zinc/28/26/12/1037282612.db2.gz XCQMHLNSWSJJKU-LIRRHRJNSA-N 2 2 302.437 3.689 20 30 DHEDLP C=CCCCCCCCCC[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001235927523 1037597944 /nfs/dbraw/zinc/59/79/44/1037597944.db2.gz ITUSMMXKHIJDKQ-UHFFFAOYSA-N 2 2 308.510 3.746 20 30 DHEDLP C=CCCCCCCCCC[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001235927523 1037597951 /nfs/dbraw/zinc/59/79/51/1037597951.db2.gz ITUSMMXKHIJDKQ-UHFFFAOYSA-N 2 2 308.510 3.746 20 30 DHEDLP CCCCCCCC[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001201814551 1037900126 /nfs/dbraw/zinc/90/01/26/1037900126.db2.gz PKTLMPWIRITNLR-RTBURBONSA-N 2 2 315.505 3.806 20 30 DHEDLP N#CC1(c2ccc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)cc2)CC1 ZINC000598991726 1038986562 /nfs/dbraw/zinc/98/65/62/1038986562.db2.gz DEWLXXDPKVFLAW-HXUWFJFHSA-N 2 2 323.484 3.738 20 30 DHEDLP N#CC1(c2ccc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)cc2)CC1 ZINC000598991726 1038986578 /nfs/dbraw/zinc/98/65/78/1038986578.db2.gz DEWLXXDPKVFLAW-HXUWFJFHSA-N 2 2 323.484 3.738 20 30 DHEDLP N#CC1(CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)CCCCC1 ZINC000573780767 1039082012 /nfs/dbraw/zinc/08/20/12/1039082012.db2.gz YMDYIXDVUUUOOY-UHFFFAOYSA-N 2 2 312.461 3.822 20 30 DHEDLP CCC(C)(C)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594967843 1039945502 /nfs/dbraw/zinc/94/55/02/1039945502.db2.gz IEQLCRQEDWEJJG-INIZCTEOSA-N 2 2 313.489 3.937 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000289177437 335060582 /nfs/dbraw/zinc/06/05/82/335060582.db2.gz IAHJXMSXRNWRHG-LJQANCHMSA-N 2 2 309.457 3.785 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](COC)c2cccc(Cl)c2)CC1 ZINC000289790631 335065400 /nfs/dbraw/zinc/06/54/00/335065400.db2.gz OJYZFDJEDJAONF-SFHVURJKSA-N 2 2 322.880 3.658 20 30 DHEDLP CC(C)Cc1ccc([C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)[NH+](C)C)cc1 ZINC000558293677 331894136 /nfs/dbraw/zinc/89/41/36/331894136.db2.gz NLNCCDLZUCBVIK-HOJAQTOUSA-N 2 2 313.489 3.770 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000152932150 332332604 /nfs/dbraw/zinc/33/26/04/332332604.db2.gz YTLFHDLYYWAXFE-QGZVFWFLSA-N 2 2 320.477 3.993 20 30 DHEDLP CC(C)(C#N)c1ccccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000135214242 332616640 /nfs/dbraw/zinc/61/66/40/332616640.db2.gz RAWOATCCSSXWRV-UHFFFAOYSA-N 2 2 308.429 3.521 20 30 DHEDLP CC[N@H+](CCCCCn1c(C)[nH+]c2ccccc21)C[C@H](C)C#N ZINC000463078466 333157086 /nfs/dbraw/zinc/15/70/86/333157086.db2.gz SFPOJVAXTGTQOX-MRXNPFEDSA-N 2 2 312.461 3.997 20 30 DHEDLP CC[N@@H+](CCCCCn1c(C)[nH+]c2ccccc21)C[C@H](C)C#N ZINC000463078466 333157088 /nfs/dbraw/zinc/15/70/88/333157088.db2.gz SFPOJVAXTGTQOX-MRXNPFEDSA-N 2 2 312.461 3.997 20 30 DHEDLP C=C(C)[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)c(F)c1 ZINC000297318385 335152840 /nfs/dbraw/zinc/15/28/40/335152840.db2.gz CDNKJYYZKWGPNG-SFHVURJKSA-N 2 2 306.400 3.798 20 30 DHEDLP C[C@@H]1C[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000271094851 334018544 /nfs/dbraw/zinc/01/85/44/334018544.db2.gz YAVOCHWZEWRDFX-OHESCVLLSA-N 2 2 323.484 3.605 20 30 DHEDLP C[C@@H]1C[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000271094851 334018546 /nfs/dbraw/zinc/01/85/46/334018546.db2.gz YAVOCHWZEWRDFX-OHESCVLLSA-N 2 2 323.484 3.605 20 30 DHEDLP CCc1[nH+]c2ccccc2n1C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000293825940 334202656 /nfs/dbraw/zinc/20/26/56/334202656.db2.gz PISNGJACYMSZRP-DOTOQJQBSA-N 2 2 322.456 3.928 20 30 DHEDLP CCc1[nH+]c2ccccc2n1C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000293825947 334202671 /nfs/dbraw/zinc/20/26/71/334202671.db2.gz PISNGJACYMSZRP-WBVHZDCISA-N 2 2 322.456 3.928 20 30 DHEDLP CCc1ccc([C@H](C[NH2+]Cc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000052660332 334820945 /nfs/dbraw/zinc/82/09/45/334820945.db2.gz SPPVXZLLSDKWMU-FQEVSTJZSA-N 2 2 307.441 3.513 20 30 DHEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(-n3cc[nH+]c3)c1)CC2 ZINC000353244938 336407935 /nfs/dbraw/zinc/40/79/35/336407935.db2.gz VYCMACXOVFIQGH-FQEVSTJZSA-N 2 2 314.392 3.521 20 30 DHEDLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358552888 336634308 /nfs/dbraw/zinc/63/43/08/336634308.db2.gz HMVFROBEHWPEFG-CYBMUJFWSA-N 2 2 322.387 3.706 20 30 DHEDLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000377392673 337051729 /nfs/dbraw/zinc/05/17/29/337051729.db2.gz PZYNQMYTCGPWHK-USWSCHJFSA-N 2 2 311.473 3.741 20 30 DHEDLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000377392673 337051730 /nfs/dbraw/zinc/05/17/30/337051730.db2.gz PZYNQMYTCGPWHK-USWSCHJFSA-N 2 2 311.473 3.741 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2ccccc2OC(F)F)CC1 ZINC000177910800 337158967 /nfs/dbraw/zinc/15/89/67/337158967.db2.gz KCVSMGHPUFNTJX-MRXNPFEDSA-N 2 2 324.415 3.979 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2ccc(OC(F)F)cc2)CC1 ZINC000177912154 337159017 /nfs/dbraw/zinc/15/90/17/337159017.db2.gz GQMPEHSCGRYTHB-KRWDZBQOSA-N 2 2 324.415 3.979 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCOc3c(C)cc(C)cc32)CC1 ZINC000177911748 337159059 /nfs/dbraw/zinc/15/90/59/337159059.db2.gz MBXVNTLQPUUMPO-LJQANCHMSA-N 2 2 314.473 3.757 20 30 DHEDLP C=CCOc1cccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000180609722 337176646 /nfs/dbraw/zinc/17/66/46/337176646.db2.gz UJORQVZNALTVQS-LPHOPBHVSA-N 2 2 311.429 3.531 20 30 DHEDLP C=CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000180609722 337176647 /nfs/dbraw/zinc/17/66/47/337176647.db2.gz UJORQVZNALTVQS-LPHOPBHVSA-N 2 2 311.429 3.531 20 30 DHEDLP CC[C@@H]([NH2+]CCn1c(C)[nH+]c2ccccc21)c1ccc(C#N)cc1 ZINC000447512737 338553340 /nfs/dbraw/zinc/55/33/40/338553340.db2.gz QJZKLGZXDYVWDL-GOSISDBHSA-N 2 2 318.424 3.957 20 30 DHEDLP C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000248652284 341382969 /nfs/dbraw/zinc/38/29/69/341382969.db2.gz YDGIYERKDCYRRG-RZQQEMMASA-N 2 2 307.441 3.900 20 30 DHEDLP C[N@@H+]1CC[C@@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623439599 1017047676 /nfs/dbraw/zinc/04/76/76/1017047676.db2.gz QDISCDYIXIDNQQ-MRXNPFEDSA-N 2 2 324.390 3.519 20 30 DHEDLP C[N@H+]1CC[C@@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623439599 1017047687 /nfs/dbraw/zinc/04/76/87/1017047687.db2.gz QDISCDYIXIDNQQ-MRXNPFEDSA-N 2 2 324.390 3.519 20 30 DHEDLP C=CC[N@H+]1CCC[C@@H]1c1ccc(NCc2cc[nH+]c(N)c2)cc1 ZINC001167618331 1017626157 /nfs/dbraw/zinc/62/61/57/1017626157.db2.gz HELIXIMRRLTDAI-GOSISDBHSA-N 2 2 308.429 3.599 20 30 DHEDLP C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCc2cc[nH+]c(N)c2)cc1 ZINC001167618331 1017626180 /nfs/dbraw/zinc/62/61/80/1017626180.db2.gz HELIXIMRRLTDAI-GOSISDBHSA-N 2 2 308.429 3.599 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc3ccncc3s2)CC1 ZINC000657876211 1019726685 /nfs/dbraw/zinc/72/66/85/1019726685.db2.gz VZWSRGJJLRDFBJ-CYBMUJFWSA-N 2 2 301.459 3.597 20 30 DHEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(Oc3ccccn3)c2)CC1 ZINC000921703393 1020535553 /nfs/dbraw/zinc/53/55/53/1020535553.db2.gz VHURRMKYJVOJQU-UHFFFAOYSA-N 2 2 323.440 3.614 20 30 DHEDLP CC1(C)C[C@@H]([NH2+]Cc2cc(C#N)co2)CC[N@@H+]1Cc1ccccc1 ZINC001171980978 1032968648 /nfs/dbraw/zinc/96/86/48/1032968648.db2.gz YRZLIKMJDUFYBJ-SFHVURJKSA-N 2 2 323.440 3.684 20 30 DHEDLP CC1(C)C[C@@H]([NH2+]Cc2cc(C#N)co2)CC[N@H+]1Cc1ccccc1 ZINC001171980978 1032968651 /nfs/dbraw/zinc/96/86/51/1032968651.db2.gz YRZLIKMJDUFYBJ-SFHVURJKSA-N 2 2 323.440 3.684 20 30 DHEDLP C=C(Br)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379647903 1021662467 /nfs/dbraw/zinc/66/24/67/1021662467.db2.gz LGXQGGQCCBZKID-ZBFHGGJFSA-N 2 2 323.278 3.538 20 30 DHEDLP C=C(Br)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379647903 1021662475 /nfs/dbraw/zinc/66/24/75/1021662475.db2.gz LGXQGGQCCBZKID-ZBFHGGJFSA-N 2 2 323.278 3.538 20 30 DHEDLP C=CCC[C@H](Cc1ccccc1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000883171730 1024267599 /nfs/dbraw/zinc/26/75/99/1024267599.db2.gz HCIJDPDNHOWTQN-LJQANCHMSA-N 2 2 323.484 3.929 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(Cl)c2)CC1 ZINC000531719396 1024292525 /nfs/dbraw/zinc/29/25/25/1024292525.db2.gz JNCGWLKJBXEXPY-CYBMUJFWSA-N 2 2 308.853 3.650 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(C)cc2OC)CC1 ZINC000531719583 1024292574 /nfs/dbraw/zinc/29/25/74/1024292574.db2.gz JLQZIADVJCKSSJ-MRXNPFEDSA-N 2 2 302.462 3.695 20 30 DHEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1C#N ZINC000270050161 1024345872 /nfs/dbraw/zinc/34/58/72/1024345872.db2.gz DXQLQELHTWVWJS-DYESRHJHSA-N 2 2 319.452 3.558 20 30 DHEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1C#N ZINC000270050161 1024345886 /nfs/dbraw/zinc/34/58/86/1024345886.db2.gz DXQLQELHTWVWJS-DYESRHJHSA-N 2 2 319.452 3.558 20 30 DHEDLP C#Cc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000809766610 1026620638 /nfs/dbraw/zinc/62/06/38/1026620638.db2.gz QUOTYBPRTWRWLF-UHFFFAOYSA-N 2 2 318.464 3.764 20 30 DHEDLP C#Cc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000809766610 1026620643 /nfs/dbraw/zinc/62/06/43/1026620643.db2.gz QUOTYBPRTWRWLF-UHFFFAOYSA-N 2 2 318.464 3.764 20 30 DHEDLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C[C@@H]1c1ccccc1 ZINC000421890996 1027080253 /nfs/dbraw/zinc/08/02/53/1027080253.db2.gz VSMIEMYVYCORKO-CRAIPNDOSA-N 2 2 311.454 3.545 20 30 DHEDLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C[C@@H]1c1ccccc1 ZINC000421890996 1027080261 /nfs/dbraw/zinc/08/02/61/1027080261.db2.gz VSMIEMYVYCORKO-CRAIPNDOSA-N 2 2 311.454 3.545 20 30 DHEDLP C=CCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000365340265 1027928492 /nfs/dbraw/zinc/92/84/92/1027928492.db2.gz AOISSXZRXOKZRW-CRAIPNDOSA-N 2 2 321.534 3.998 20 30 DHEDLP C=CCCCCC[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000365340265 1027928510 /nfs/dbraw/zinc/92/85/10/1027928510.db2.gz AOISSXZRXOKZRW-CRAIPNDOSA-N 2 2 321.534 3.998 20 30 DHEDLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CCC1 ZINC000449480051 1028680453 /nfs/dbraw/zinc/68/04/53/1028680453.db2.gz XFDKTEAPRABVRW-OALUTQOASA-N 2 2 311.473 3.713 20 30 DHEDLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CCC1 ZINC000449480051 1028680457 /nfs/dbraw/zinc/68/04/57/1028680457.db2.gz XFDKTEAPRABVRW-OALUTQOASA-N 2 2 311.473 3.713 20 30 DHEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530216922 1029785809 /nfs/dbraw/zinc/78/58/09/1029785809.db2.gz DJSXGENXQKJWRZ-WMLDXEAASA-N 2 2 320.864 3.753 20 30 DHEDLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1F ZINC000358571716 1030539929 /nfs/dbraw/zinc/53/99/29/1030539929.db2.gz PKAUJLAAIVHWIW-CABCVRRESA-N 2 2 303.425 3.612 20 30 DHEDLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1F ZINC000358571716 1030539938 /nfs/dbraw/zinc/53/99/38/1030539938.db2.gz PKAUJLAAIVHWIW-CABCVRRESA-N 2 2 303.425 3.612 20 30 DHEDLP C[C@H](CC(C)(C)C#N)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000926496414 1030767026 /nfs/dbraw/zinc/76/70/26/1030767026.db2.gz CQQHROTZEUTERZ-CYBMUJFWSA-N 2 2 316.836 3.944 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC[C@H]3C=CCC3)CC2)cc1 ZINC000872108658 1031501480 /nfs/dbraw/zinc/50/14/80/1031501480.db2.gz WJJXGUFKDJHRDH-SFHVURJKSA-N 2 2 323.484 3.859 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCC4(CC4)C3)CC2)cc1 ZINC000897771942 1031822546 /nfs/dbraw/zinc/82/25/46/1031822546.db2.gz ITYLMQGFGPAKAD-FQEVSTJZSA-N 2 2 323.484 3.835 20 30 DHEDLP C=CCOC1CCC(n2c[nH+]cc2-c2cccc(C[NH3+])c2)CC1 ZINC001173318244 1033711742 /nfs/dbraw/zinc/71/17/42/1033711742.db2.gz XZQJYVGSROQRJF-UHFFFAOYSA-N 2 2 311.429 3.695 20 30 DHEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(OC(C)(C)C)c2)CC1 ZINC000865453764 1034652765 /nfs/dbraw/zinc/65/27/65/1034652765.db2.gz KOOSDJSEWCLGTK-UHFFFAOYSA-N 2 2 302.462 3.604 20 30 DHEDLP C#C[C@@H](C)[N@H+](C)C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001193919560 1035770412 /nfs/dbraw/zinc/77/04/12/1035770412.db2.gz BFQHRIBLRXHPJX-KNQAVFIVSA-N 2 2 320.480 3.856 20 30 DHEDLP C#C[C@@H](C)[N@@H+](C)C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001193919560 1035770421 /nfs/dbraw/zinc/77/04/21/1035770421.db2.gz BFQHRIBLRXHPJX-KNQAVFIVSA-N 2 2 320.480 3.856 20 30 DHEDLP C#C[C@@H](C)[NH+](C)C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001193919560 1035770427 /nfs/dbraw/zinc/77/04/27/1035770427.db2.gz BFQHRIBLRXHPJX-KNQAVFIVSA-N 2 2 320.480 3.856 20 30 DHEDLP C#C[C@@H](C)[NH+](C)C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001193919560 1035770434 /nfs/dbraw/zinc/77/04/34/1035770434.db2.gz BFQHRIBLRXHPJX-KNQAVFIVSA-N 2 2 320.480 3.856 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(Cl)c2OCC)CC1 ZINC000487306899 1036659800 /nfs/dbraw/zinc/65/98/00/1036659800.db2.gz XWAZJAAXIDXWBC-UHFFFAOYSA-N 2 2 322.880 3.869 20 30 DHEDLP C[N@H+](CC#Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000026984325 1037258793 /nfs/dbraw/zinc/25/87/93/1037258793.db2.gz PQUAPUMMXIRMPT-UHFFFAOYSA-N 2 2 318.464 3.635 20 30 DHEDLP C[N@@H+](CC#Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000026984325 1037258806 /nfs/dbraw/zinc/25/88/06/1037258806.db2.gz PQUAPUMMXIRMPT-UHFFFAOYSA-N 2 2 318.464 3.635 20 30 DHEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000398000483 1037576000 /nfs/dbraw/zinc/57/60/00/1037576000.db2.gz VRNDYRULILXLTR-SIKLNZKXSA-N 2 2 318.464 3.538 20 30 DHEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000398000483 1037576022 /nfs/dbraw/zinc/57/60/22/1037576022.db2.gz VRNDYRULILXLTR-SIKLNZKXSA-N 2 2 318.464 3.538 20 30 DHEDLP C=C(C)[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000186450417 1037904568 /nfs/dbraw/zinc/90/45/68/1037904568.db2.gz HGVLGIQAORIBCC-DAYGRLMNSA-N 2 2 306.400 3.798 20 30 DHEDLP C=C(C)[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000186450417 1037904582 /nfs/dbraw/zinc/90/45/82/1037904582.db2.gz HGVLGIQAORIBCC-DAYGRLMNSA-N 2 2 306.400 3.798 20 30 DHEDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000775376472 1038300244 /nfs/dbraw/zinc/30/02/44/1038300244.db2.gz QUWYYWPXXXLYNO-RTBURBONSA-N 2 2 322.456 3.837 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2cc(Cl)ccc2O)CC1 ZINC000775502879 1038596116 /nfs/dbraw/zinc/59/61/16/1038596116.db2.gz XNOJAVKGUFEQHC-MRXNPFEDSA-N 2 2 308.853 3.737 20 30 DHEDLP C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000595100023 1040066687 /nfs/dbraw/zinc/06/66/87/1040066687.db2.gz SIWNQZLXZCHZCZ-INIZCTEOSA-N 2 2 308.429 3.997 20 30 DHEDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@@H](C)CCC#N)c(C)c1 ZINC000602579625 1041110799 /nfs/dbraw/zinc/11/07/99/1041110799.db2.gz CAVGZUXYGVHETG-LPHOPBHVSA-N 2 2 310.445 3.771 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000286321348 335033065 /nfs/dbraw/zinc/03/30/65/335033065.db2.gz XOVZZRPXWLLEGP-SFHVURJKSA-N 2 2 316.493 3.661 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2nccc3ccccc32)CC1 ZINC000289585856 335064700 /nfs/dbraw/zinc/06/47/00/335064700.db2.gz FCRSANNPUYBHDF-INIZCTEOSA-N 2 2 309.457 3.926 20 30 DHEDLP C=CCC[C@H]([NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)c1ccco1 ZINC000367520052 332237736 /nfs/dbraw/zinc/23/77/36/332237736.db2.gz TZRSIQSQZFEOPK-INIZCTEOSA-N 2 2 308.385 3.657 20 30 DHEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000184085595 333191802 /nfs/dbraw/zinc/19/18/02/333191802.db2.gz HRCXBYPVICNPOH-OAHLLOKOSA-N 2 2 305.853 3.586 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000185383925 335132324 /nfs/dbraw/zinc/13/23/24/335132324.db2.gz IFHSNRILMWJYDF-OAHLLOKOSA-N 2 2 314.473 3.572 20 30 DHEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000272045493 334030217 /nfs/dbraw/zinc/03/02/17/334030217.db2.gz SCSJMWJNVXHMQQ-MRXNPFEDSA-N 2 2 310.445 3.749 20 30 DHEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000272045493 334030219 /nfs/dbraw/zinc/03/02/19/334030219.db2.gz SCSJMWJNVXHMQQ-MRXNPFEDSA-N 2 2 310.445 3.749 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3=CCCCC3)CC2)cc1 ZINC000295063495 334216575 /nfs/dbraw/zinc/21/65/75/334216575.db2.gz GRSRBZPHAIKKKA-UHFFFAOYSA-N 2 2 309.457 3.613 20 30 DHEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443968239 338464622 /nfs/dbraw/zinc/46/46/22/338464622.db2.gz NPDMXZKYAWSOBB-UHFFFAOYSA-N 2 2 318.424 3.705 20 30 DHEDLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(C#N)c(F)c1 ZINC000346137731 335379865 /nfs/dbraw/zinc/37/98/65/335379865.db2.gz MEVSEVSTYANIAR-CQSZACIVSA-N 2 2 320.371 3.734 20 30 DHEDLP CC(C)(C)C[N@H+](CCC#N)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346154124 335382895 /nfs/dbraw/zinc/38/28/95/335382895.db2.gz QLGHLZLANMMCSM-UHFFFAOYSA-N 2 2 302.447 3.696 20 30 DHEDLP CC(C)(C)C[N@@H+](CCC#N)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346154124 335382897 /nfs/dbraw/zinc/38/28/97/335382897.db2.gz QLGHLZLANMMCSM-UHFFFAOYSA-N 2 2 302.447 3.696 20 30 DHEDLP C=CC[N@H+](CCc1ccco1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346308541 335398586 /nfs/dbraw/zinc/39/85/86/335398586.db2.gz FDHHQEVWGHXZCJ-UHFFFAOYSA-N 2 2 313.426 3.758 20 30 DHEDLP C=CC[N@@H+](CCc1ccco1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346308541 335398588 /nfs/dbraw/zinc/39/85/88/335398588.db2.gz FDHHQEVWGHXZCJ-UHFFFAOYSA-N 2 2 313.426 3.758 20 30 DHEDLP C=CCOc1ccccc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000351571170 336046101 /nfs/dbraw/zinc/04/61/01/336046101.db2.gz UUUSUXLKGUXYMA-UHFFFAOYSA-N 2 2 320.396 3.503 20 30 DHEDLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)NCCC1CCCCC1 ZINC000329854987 336089566 /nfs/dbraw/zinc/08/95/66/336089566.db2.gz WZEIQBKQIGGBCA-UHFFFAOYSA-N 2 2 318.465 3.516 20 30 DHEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+]C1CCC(C)(C#N)CC1)C2 ZINC000332649287 336177629 /nfs/dbraw/zinc/17/76/29/336177629.db2.gz TVKZUMCSXWNNDJ-HVEKOLDVSA-N 2 2 314.477 3.557 20 30 DHEDLP C=C(C)C[NH+]1CCC(Nc2cc[nH+]c3c(OC)cccc23)CC1 ZINC000302519699 336360769 /nfs/dbraw/zinc/36/07/69/336360769.db2.gz IJXPXXLQGZHPOM-UHFFFAOYSA-N 2 2 311.429 3.696 20 30 DHEDLP C=C(C)C[N@@H+](CCC[NH+]1CCCCC1)Cc1cnn(C(C)C)c1 ZINC000352921766 336377214 /nfs/dbraw/zinc/37/72/14/336377214.db2.gz LLSYQWYREHGLBV-UHFFFAOYSA-N 2 2 318.509 3.718 20 30 DHEDLP C=C(C)C[N@H+](CCC[NH+]1CCCCC1)Cc1cnn(C(C)C)c1 ZINC000352921766 336377215 /nfs/dbraw/zinc/37/72/15/336377215.db2.gz LLSYQWYREHGLBV-UHFFFAOYSA-N 2 2 318.509 3.718 20 30 DHEDLP C[NH+](CCCCC#N)[C@@H]1CCCC[C@H]1[N@H+](C)CCCCC#N ZINC000352969635 336380218 /nfs/dbraw/zinc/38/02/18/336380218.db2.gz SIPXVGWFPGZVAI-QZTJIDSGSA-N 2 2 304.482 3.549 20 30 DHEDLP C[NH+](CCCCC#N)[C@@H]1CCCC[C@H]1[N@@H+](C)CCCCC#N ZINC000352969635 336380219 /nfs/dbraw/zinc/38/02/19/336380219.db2.gz SIPXVGWFPGZVAI-QZTJIDSGSA-N 2 2 304.482 3.549 20 30 DHEDLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000418141034 336896450 /nfs/dbraw/zinc/89/64/50/336896450.db2.gz GFRHFKTZBKYZGH-HXUWFJFHSA-N 2 2 305.425 3.862 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](CCC)c2ccc(OC)cc2)CC1 ZINC000177905671 337159004 /nfs/dbraw/zinc/15/90/04/337159004.db2.gz LEZCKOWOBIGQNX-IBGZPJMESA-N 2 2 302.462 3.776 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000177906273 337159027 /nfs/dbraw/zinc/15/90/27/337159027.db2.gz ZZMYYSTUAMSSIN-KRWDZBQOSA-N 2 2 320.864 3.794 20 30 DHEDLP C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000192172473 337303615 /nfs/dbraw/zinc/30/36/15/337303615.db2.gz JLIJYZOHWKVQGC-AWEZNQCLSA-N 2 2 320.371 3.734 20 30 DHEDLP C=CC[NH+]1CCC([NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000432241018 338150039 /nfs/dbraw/zinc/15/00/39/338150039.db2.gz NINBQQOWIDGPFW-UHFFFAOYSA-N 2 2 305.274 3.795 20 30 DHEDLP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000459479408 339031624 /nfs/dbraw/zinc/03/16/24/339031624.db2.gz OATDJZPTMVNRCM-DLBZAZTESA-N 2 2 310.445 3.797 20 30 DHEDLP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000512667449 340372041 /nfs/dbraw/zinc/37/20/41/340372041.db2.gz POUPJGDGFNQNFD-HNNXBMFYSA-N 2 2 305.441 3.857 20 30 DHEDLP N#CCC[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000307492140 340652804 /nfs/dbraw/zinc/65/28/04/340652804.db2.gz YXPGSHLPADVYRA-UHFFFAOYSA-N 2 2 307.441 3.582 20 30 DHEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000181752336 525295695 /nfs/dbraw/zinc/29/56/95/525295695.db2.gz QDZFYFDLBQGDLF-INIZCTEOSA-N 2 2 311.473 3.691 20 30 DHEDLP C[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181387328 526262398 /nfs/dbraw/zinc/26/23/98/526262398.db2.gz VGWRKRYHGIHZRY-OXJNMPFZSA-N 2 2 311.473 3.691 20 30 DHEDLP N#Cc1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cs1 ZINC000894472116 1013380193 /nfs/dbraw/zinc/38/01/93/1013380193.db2.gz OSJXCTNWXXAUDL-UHFFFAOYSA-N 2 2 314.458 3.509 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121309320 1013525262 /nfs/dbraw/zinc/52/52/62/1013525262.db2.gz FTEAXPOJOMBKSN-SFHVURJKSA-N 2 2 306.400 3.582 20 30 DHEDLP C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174651284 1018455340 /nfs/dbraw/zinc/45/53/40/1018455340.db2.gz JXXNEXQNLJOLQA-OAHLLOKOSA-N 2 2 302.381 3.595 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)Cc2ccc(Cl)cc2)CC1 ZINC000657875143 1019724328 /nfs/dbraw/zinc/72/43/28/1019724328.db2.gz GVLTYXJHLKXZIA-QGZVFWFLSA-N 2 2 306.881 3.901 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000765834665 1020464072 /nfs/dbraw/zinc/46/40/72/1020464072.db2.gz FZANQFJWVDDHRC-QGZVFWFLSA-N 2 2 324.472 3.563 20 30 DHEDLP C[C@@]1(C#N)CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987128 1032970009 /nfs/dbraw/zinc/97/00/09/1032970009.db2.gz PEOSXAWZVURLIT-ICSRJNTNSA-N 2 2 311.473 3.665 20 30 DHEDLP C[C@@]1(C#N)CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987128 1032970012 /nfs/dbraw/zinc/97/00/12/1032970012.db2.gz PEOSXAWZVURLIT-ICSRJNTNSA-N 2 2 311.473 3.665 20 30 DHEDLP C[C@@]1(C#N)CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987128 1032970013 /nfs/dbraw/zinc/97/00/13/1032970013.db2.gz PEOSXAWZVURLIT-ICSRJNTNSA-N 2 2 311.473 3.665 20 30 DHEDLP C[C@@]1(C#N)CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987128 1032970020 /nfs/dbraw/zinc/97/00/20/1032970020.db2.gz PEOSXAWZVURLIT-ICSRJNTNSA-N 2 2 311.473 3.665 20 30 DHEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000154648233 1021454368 /nfs/dbraw/zinc/45/43/68/1021454368.db2.gz TYKIPFGKZWDVOX-HOCLYGCPSA-N 2 2 308.853 3.563 20 30 DHEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000154648233 1021454376 /nfs/dbraw/zinc/45/43/76/1021454376.db2.gz TYKIPFGKZWDVOX-HOCLYGCPSA-N 2 2 308.853 3.563 20 30 DHEDLP C[N@@H+]1CCC[C@H](C[NH2+]CC#Cc2ccccc2)[C@@H]1c1cccs1 ZINC000893018117 1021803938 /nfs/dbraw/zinc/80/39/38/1021803938.db2.gz CJQAKSRPEAIPQW-UYAOXDASSA-N 2 2 324.493 3.772 20 30 DHEDLP C[N@H+]1CCC[C@H](C[NH2+]CC#Cc2ccccc2)[C@@H]1c1cccs1 ZINC000893018117 1021803953 /nfs/dbraw/zinc/80/39/53/1021803953.db2.gz CJQAKSRPEAIPQW-UYAOXDASSA-N 2 2 324.493 3.772 20 30 DHEDLP N#Cc1cccc(C2([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000341241825 1022062590 /nfs/dbraw/zinc/06/25/90/1022062590.db2.gz ZXBUGHGWGDEBDS-UHFFFAOYSA-N 2 2 314.392 3.523 20 30 DHEDLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000776728033 1022448127 /nfs/dbraw/zinc/44/81/27/1022448127.db2.gz FRZYTGHPCCJKPM-SUMWQHHRSA-N 2 2 314.408 3.659 20 30 DHEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000651741418 1023510065 /nfs/dbraw/zinc/51/00/65/1023510065.db2.gz JKCMXTRMPXANEL-SQGPQFPESA-N 2 2 313.489 3.941 20 30 DHEDLP C[C@H](CCCC#N)[NH2+]CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001172477041 1033192535 /nfs/dbraw/zinc/19/25/35/1033192535.db2.gz UEIVKEYYRIVSGL-GOSISDBHSA-N 2 2 313.489 3.613 20 30 DHEDLP CSc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1C#N ZINC000925773709 1024352607 /nfs/dbraw/zinc/35/26/07/1024352607.db2.gz OKRCQVMHHXVWCW-IRXDYDNUSA-N 2 2 309.438 3.515 20 30 DHEDLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1C#N ZINC000482135133 1024479790 /nfs/dbraw/zinc/47/97/90/1024479790.db2.gz MRUZWSCSCSHUDA-VQIMIIECSA-N 2 2 317.452 3.688 20 30 DHEDLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@H](C)CCCC#N)CC1 ZINC001172489422 1033222424 /nfs/dbraw/zinc/22/24/24/1033222424.db2.gz ROIWQVJJZQVSIC-OAHLLOKOSA-N 2 2 317.452 3.771 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@@H](C)Sc3sccc32)CC1 ZINC000357063820 1026302536 /nfs/dbraw/zinc/30/25/36/1026302536.db2.gz BZUIWWYJIQNQCJ-DOMZBBRYSA-N 2 2 308.516 3.914 20 30 DHEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000363641479 1027707649 /nfs/dbraw/zinc/70/76/49/1027707649.db2.gz OJDHYBAMTGFIAF-GOSISDBHSA-N 2 2 308.429 3.543 20 30 DHEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000363641479 1027707667 /nfs/dbraw/zinc/70/76/67/1027707667.db2.gz OJDHYBAMTGFIAF-GOSISDBHSA-N 2 2 308.429 3.543 20 30 DHEDLP C=CC[NH+]1CCC([NH2+]Cc2cc3ccccc3c(OC)c2)CC1 ZINC000449122374 1028376708 /nfs/dbraw/zinc/37/67/08/1028376708.db2.gz LCMWMIVPXQKPPF-UHFFFAOYSA-N 2 2 310.441 3.588 20 30 DHEDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000369032904 1028436317 /nfs/dbraw/zinc/43/63/17/1028436317.db2.gz SZEKWWYKXLDWCI-SFHVURJKSA-N 2 2 308.429 3.715 20 30 DHEDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000369032904 1028436323 /nfs/dbraw/zinc/43/63/23/1028436323.db2.gz SZEKWWYKXLDWCI-SFHVURJKSA-N 2 2 308.429 3.715 20 30 DHEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000815652887 1028593997 /nfs/dbraw/zinc/59/39/97/1028593997.db2.gz YYJIJKSLPVQHKB-CYBMUJFWSA-N 2 2 304.821 3.692 20 30 DHEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000815652887 1028594011 /nfs/dbraw/zinc/59/40/11/1028594011.db2.gz YYJIJKSLPVQHKB-CYBMUJFWSA-N 2 2 304.821 3.692 20 30 DHEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000450944037 1029744563 /nfs/dbraw/zinc/74/45/63/1029744563.db2.gz TXRKQZJKFIESAJ-SFHVURJKSA-N 2 2 311.473 3.571 20 30 DHEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000450944037 1029744565 /nfs/dbraw/zinc/74/45/65/1029744565.db2.gz TXRKQZJKFIESAJ-SFHVURJKSA-N 2 2 311.473 3.571 20 30 DHEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872099407 1031492086 /nfs/dbraw/zinc/49/20/86/1031492086.db2.gz BUXWNMMIIYXFFX-QGZVFWFLSA-N 2 2 311.473 3.960 20 30 DHEDLP C[NH+]1CCC([N@H+](C2CCCC2)C2CCC(C)(C#N)CC2)CC1 ZINC001173597619 1033783309 /nfs/dbraw/zinc/78/33/09/1033783309.db2.gz ZRODSPXFYZYJSZ-UHFFFAOYSA-N 2 2 303.494 3.798 20 30 DHEDLP C[NH+]1CCC([N@@H+](C2CCCC2)C2CCC(C)(C#N)CC2)CC1 ZINC001173597619 1033783322 /nfs/dbraw/zinc/78/33/22/1033783322.db2.gz ZRODSPXFYZYJSZ-UHFFFAOYSA-N 2 2 303.494 3.798 20 30 DHEDLP C[C@]1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000193314086 1036495907 /nfs/dbraw/zinc/49/59/07/1036495907.db2.gz DWNRHJQJRSWHLD-XUVXKRRUSA-N 2 2 311.473 3.713 20 30 DHEDLP C[C@]1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CCC[N@H+]1Cc1ccccc1 ZINC000193314086 1036495915 /nfs/dbraw/zinc/49/59/15/1036495915.db2.gz DWNRHJQJRSWHLD-XUVXKRRUSA-N 2 2 311.473 3.713 20 30 DHEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCC[C@@H](OC)CC1)C(C)C ZINC001199197764 1037213511 /nfs/dbraw/zinc/21/35/11/1037213511.db2.gz JDWPMLICACXDMR-IPMKNSEASA-N 2 2 308.510 3.622 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H]2c3cccc(F)c3CC[C@@H]2C)CC1 ZINC000177905221 1037281130 /nfs/dbraw/zinc/28/11/30/1037281130.db2.gz XCQMHLNSWSJJKU-IFXJQAMLSA-N 2 2 302.437 3.689 20 30 DHEDLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000776155469 1037610140 /nfs/dbraw/zinc/61/01/40/1037610140.db2.gz GNIZSALVZYIICR-INIZCTEOSA-N 2 2 313.489 3.794 20 30 DHEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594519911 1039823074 /nfs/dbraw/zinc/82/30/74/1039823074.db2.gz MPWWGEMIENNASH-SLFFLAALSA-N 2 2 309.457 3.542 20 30 DHEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594519911 1039823098 /nfs/dbraw/zinc/82/30/98/1039823098.db2.gz MPWWGEMIENNASH-SLFFLAALSA-N 2 2 309.457 3.542 20 30 DHEDLP C[C@@H](C#N)C[NH2+]C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000602607261 1041125000 /nfs/dbraw/zinc/12/50/00/1041125000.db2.gz IBLNLQNFNCAYHN-PXNSSMCTSA-N 2 2 313.489 3.674 20 30 DHEDLP C[C@@H](C#N)C[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000602607261 1041125003 /nfs/dbraw/zinc/12/50/03/1041125003.db2.gz IBLNLQNFNCAYHN-PXNSSMCTSA-N 2 2 313.489 3.674 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2ccc(F)cc2O)CC1 ZINC000286215194 335030420 /nfs/dbraw/zinc/03/04/20/335030420.db2.gz SEYKLKKXODLGPQ-KRWDZBQOSA-N 2 2 306.425 3.613 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](COC)c2ccc(Cl)cc2)CC1 ZINC000194032080 335059066 /nfs/dbraw/zinc/05/90/66/335059066.db2.gz JJOGNXVMRMNOKY-SFHVURJKSA-N 2 2 322.880 3.658 20 30 DHEDLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000120649820 132150297 /nfs/dbraw/zinc/15/02/97/132150297.db2.gz SGNDRXZZEXBRRL-AWEZNQCLSA-N 2 2 304.397 3.567 20 30 DHEDLP C=CCOc1ccccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000119860392 333261183 /nfs/dbraw/zinc/26/11/83/333261183.db2.gz WGFVQTJHFBAQMJ-UHFFFAOYSA-N 2 2 302.462 3.604 20 30 DHEDLP N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161343656 333373526 /nfs/dbraw/zinc/37/35/26/333373526.db2.gz OEQQSYRXCVVTEG-WOJBJXKFSA-N 2 2 311.473 3.634 20 30 DHEDLP N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161343656 333373527 /nfs/dbraw/zinc/37/35/27/333373527.db2.gz OEQQSYRXCVVTEG-WOJBJXKFSA-N 2 2 311.473 3.634 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2csc(C(C)C)n2)CC1 ZINC000186326259 335157110 /nfs/dbraw/zinc/15/71/10/335157110.db2.gz QGKAUFQXRVQGSQ-CQSZACIVSA-N 2 2 307.507 3.958 20 30 DHEDLP CC(C)c1cccc(NC(=[NH2+])NCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000264072352 333951029 /nfs/dbraw/zinc/95/10/29/333951029.db2.gz GNFCDXNLZIRYAP-UHFFFAOYSA-N 2 2 321.428 3.656 20 30 DHEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000294056435 334205208 /nfs/dbraw/zinc/20/52/08/334205208.db2.gz JSFLNODUBFKCGT-WBVHZDCISA-N 2 2 308.429 3.674 20 30 DHEDLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cccc(C#N)c1 ZINC000344105848 335223687 /nfs/dbraw/zinc/22/36/87/335223687.db2.gz QKWDNZJZGRXZDH-OAHLLOKOSA-N 2 2 302.381 3.595 20 30 DHEDLP C=CC[NH+]1CCC(Nc2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000301826440 336332577 /nfs/dbraw/zinc/33/25/77/336332577.db2.gz OZGJJCDLTMAEHH-UHFFFAOYSA-N 2 2 302.466 3.786 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000367753550 336829187 /nfs/dbraw/zinc/82/91/87/336829187.db2.gz ZOTJSGQRINZZAY-KRWDZBQOSA-N 2 2 320.864 3.794 20 30 DHEDLP C=CC[NH+]1CCC(c2[nH]cc(-c3ccc(F)c(F)c3)[nH+]2)CC1 ZINC000370169694 336879067 /nfs/dbraw/zinc/87/90/67/336879067.db2.gz RILSLONAZUJZLY-UHFFFAOYSA-N 2 2 303.356 3.720 20 30 DHEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000378185634 337067946 /nfs/dbraw/zinc/06/79/46/337067946.db2.gz ZRDUJZIQPAMEKV-XSWJXKHESA-N 2 2 321.534 3.852 20 30 DHEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000378185634 337067947 /nfs/dbraw/zinc/06/79/47/337067947.db2.gz ZRDUJZIQPAMEKV-XSWJXKHESA-N 2 2 321.534 3.852 20 30 DHEDLP N#Cc1cc(Cl)ccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000186673199 337258378 /nfs/dbraw/zinc/25/83/78/337258378.db2.gz ZUXSWJHEBXFAHD-UHFFFAOYSA-N 2 2 317.864 3.519 20 30 DHEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000191889558 337300901 /nfs/dbraw/zinc/30/09/01/337300901.db2.gz VMISXDACNGHIRV-UHFFFAOYSA-N 2 2 316.408 3.684 20 30 DHEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000191889558 337300902 /nfs/dbraw/zinc/30/09/02/337300902.db2.gz VMISXDACNGHIRV-UHFFFAOYSA-N 2 2 316.408 3.684 20 30 DHEDLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000428441204 338051662 /nfs/dbraw/zinc/05/16/62/338051662.db2.gz PGQJPRHDSSBKGC-APWZRJJASA-N 2 2 317.452 3.688 20 30 DHEDLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000428441205 338051687 /nfs/dbraw/zinc/05/16/87/338051687.db2.gz PGQJPRHDSSBKGC-LPHOPBHVSA-N 2 2 317.452 3.688 20 30 DHEDLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(C#N)cc2Cl)CC1 ZINC000439454425 338370025 /nfs/dbraw/zinc/37/00/25/338370025.db2.gz RQBCXUHSJKBVHC-UHFFFAOYSA-N 2 2 305.853 3.516 20 30 DHEDLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)cc2Cl)CC1 ZINC000439454425 338370026 /nfs/dbraw/zinc/37/00/26/338370026.db2.gz RQBCXUHSJKBVHC-UHFFFAOYSA-N 2 2 305.853 3.516 20 30 DHEDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCC[C@H](C#N)C2)c(C)c1 ZINC000463247223 339111857 /nfs/dbraw/zinc/11/18/57/339111857.db2.gz VACFDHGCROVXFP-NSHGMRRFSA-N 2 2 322.456 3.913 20 30 DHEDLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC000247111325 341361064 /nfs/dbraw/zinc/36/10/64/341361064.db2.gz YATBHQZXYCFAQM-PXNSSMCTSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC000247111325 341361065 /nfs/dbraw/zinc/36/10/65/341361065.db2.gz YATBHQZXYCFAQM-PXNSSMCTSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000247111325 341361066 /nfs/dbraw/zinc/36/10/66/341361066.db2.gz YATBHQZXYCFAQM-PXNSSMCTSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000247111325 341361067 /nfs/dbraw/zinc/36/10/67/341361067.db2.gz YATBHQZXYCFAQM-PXNSSMCTSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C)c1cccc(C#N)c1 ZINC000248652287 341383056 /nfs/dbraw/zinc/38/30/56/341383056.db2.gz YDGIYERKDCYRRG-TWOQFEAHSA-N 2 2 307.441 3.900 20 30 DHEDLP CC1(C)CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181865893 520362300 /nfs/dbraw/zinc/36/23/00/520362300.db2.gz MOSTYBUKFSABTL-LJQANCHMSA-N 2 2 311.473 3.691 20 30 DHEDLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1cccc(C#N)c1 ZINC000181586487 525444262 /nfs/dbraw/zinc/44/42/62/525444262.db2.gz SGMWIUVPXLSXBR-CQSZACIVSA-N 2 2 304.397 3.718 20 30 DHEDLP CC(C)(CCC#N)C[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000441367029 1013726836 /nfs/dbraw/zinc/72/68/36/1013726836.db2.gz GIWNAVMCEJIHHH-UHFFFAOYSA-N 2 2 305.510 3.952 20 30 DHEDLP C[C@@H]1CC([NH2+]Cc2cc(C#N)co2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168037267 1015463519 /nfs/dbraw/zinc/46/35/19/1015463519.db2.gz ZIVSBYCETMXBJL-HZPDHXFCSA-N 2 2 323.440 3.682 20 30 DHEDLP C=CC[NH+]1CCC([NH2+]C2CC(Sc3ccccc3)C2)CC1 ZINC000924983775 1012336996 /nfs/dbraw/zinc/33/69/96/1012336996.db2.gz IRLNDAZYZWYGPX-UHFFFAOYSA-N 2 2 302.487 3.550 20 30 DHEDLP C[C@H]1C[C@@H]([NH2+]CC2(C#N)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000405150680 1018730313 /nfs/dbraw/zinc/73/03/13/1018730313.db2.gz OKFYUTBAARMCSP-HKUYNNGSSA-N 2 2 311.473 3.713 20 30 DHEDLP C[C@H]1C[C@@H]([NH2+]CC2(C#N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000405150680 1018730327 /nfs/dbraw/zinc/73/03/27/1018730327.db2.gz OKFYUTBAARMCSP-HKUYNNGSSA-N 2 2 311.473 3.713 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3cccc(OC)c3o2)CC1 ZINC000730017925 1019939693 /nfs/dbraw/zinc/93/96/93/1019939693.db2.gz RBDOJXGHZJFPRG-UHFFFAOYSA-N 2 2 314.429 3.572 20 30 DHEDLP C[C@@]1(C#N)CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987129 1032972867 /nfs/dbraw/zinc/97/28/67/1032972867.db2.gz PEOSXAWZVURLIT-QUCCMNQESA-N 2 2 311.473 3.665 20 30 DHEDLP C[C@@]1(C#N)CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987129 1032972878 /nfs/dbraw/zinc/97/28/78/1032972878.db2.gz PEOSXAWZVURLIT-QUCCMNQESA-N 2 2 311.473 3.665 20 30 DHEDLP C[C@@]1(C#N)CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987129 1032972883 /nfs/dbraw/zinc/97/28/83/1032972883.db2.gz PEOSXAWZVURLIT-QUCCMNQESA-N 2 2 311.473 3.665 20 30 DHEDLP C[C@@]1(C#N)CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987129 1032972896 /nfs/dbraw/zinc/97/28/96/1032972896.db2.gz PEOSXAWZVURLIT-QUCCMNQESA-N 2 2 311.473 3.665 20 30 DHEDLP C[C@]1(C#N)CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172091053 1032985004 /nfs/dbraw/zinc/98/50/04/1032985004.db2.gz ZZSRRCRWVLAANB-IVAOSVALSA-N 2 2 323.484 3.808 20 30 DHEDLP C[C@]1(C#N)CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172091053 1032985010 /nfs/dbraw/zinc/98/50/10/1032985010.db2.gz ZZSRRCRWVLAANB-IVAOSVALSA-N 2 2 323.484 3.808 20 30 DHEDLP C[C@]1(C#N)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172091053 1032985019 /nfs/dbraw/zinc/98/50/19/1032985019.db2.gz ZZSRRCRWVLAANB-IVAOSVALSA-N 2 2 323.484 3.808 20 30 DHEDLP C[C@]1(C#N)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172091053 1032985029 /nfs/dbraw/zinc/98/50/29/1032985029.db2.gz ZZSRRCRWVLAANB-IVAOSVALSA-N 2 2 323.484 3.808 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651700694 1023479120 /nfs/dbraw/zinc/47/91/20/1023479120.db2.gz PHNXNBMYLSYQND-OAHLLOKOSA-N 2 2 308.828 3.706 20 30 DHEDLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2cccc(C#N)c2)CC1 ZINC000270645315 1024411626 /nfs/dbraw/zinc/41/16/26/1024411626.db2.gz KNTUUVJRPRUWMB-UHFFFAOYSA-N 2 2 319.452 3.655 20 30 DHEDLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2cccc(C#N)c2)CC1 ZINC000270645315 1024411633 /nfs/dbraw/zinc/41/16/33/1024411633.db2.gz KNTUUVJRPRUWMB-UHFFFAOYSA-N 2 2 319.452 3.655 20 30 DHEDLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000423498338 1027563962 /nfs/dbraw/zinc/56/39/62/1027563962.db2.gz IAOVDSTZADZNFW-PMACEKPBSA-N 2 2 307.441 3.861 20 30 DHEDLP CC1(C)[C@@H]2C[C@@H]([NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)C[C@@H]21 ZINC001170715881 1027764921 /nfs/dbraw/zinc/76/49/21/1027764921.db2.gz MIQKIBGNWZEGDX-OWZKRDHZSA-N 2 2 323.484 3.547 20 30 DHEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)CC2 ZINC000527948818 1027982660 /nfs/dbraw/zinc/98/26/60/1027982660.db2.gz MIAROXJQKOSQRP-AZUAARDMSA-N 2 2 309.457 3.542 20 30 DHEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)CC2 ZINC000527948818 1027982671 /nfs/dbraw/zinc/98/26/71/1027982671.db2.gz MIAROXJQKOSQRP-AZUAARDMSA-N 2 2 309.457 3.542 20 30 DHEDLP CC[C@@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccc(C#N)cc1 ZINC000365731826 1027996583 /nfs/dbraw/zinc/99/65/83/1027996583.db2.gz CWAORUIZPRZDSY-ZWKOTPCHSA-N 2 2 308.429 3.682 20 30 DHEDLP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C1CC1 ZINC000245981385 1030228727 /nfs/dbraw/zinc/22/87/27/1030228727.db2.gz YMCYTDSFSHNNCU-DBVUQKKJSA-N 2 2 313.489 3.626 20 30 DHEDLP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C1CC1 ZINC000245981385 1030228738 /nfs/dbraw/zinc/22/87/38/1030228738.db2.gz YMCYTDSFSHNNCU-DBVUQKKJSA-N 2 2 313.489 3.626 20 30 DHEDLP C[C@H](Cc1cccc(C#N)c1)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001171201097 1031749613 /nfs/dbraw/zinc/74/96/13/1031749613.db2.gz HUVLTBDABIZQSA-OAHLLOKOSA-N 2 2 316.408 3.684 20 30 DHEDLP C[C@H](C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C(C)(C)C ZINC000593695542 1039082609 /nfs/dbraw/zinc/08/26/09/1039082609.db2.gz QHUQRNYUSINYGM-MRXNPFEDSA-N 2 2 313.489 3.794 20 30 DHEDLP Cc1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593687536 1039594990 /nfs/dbraw/zinc/59/49/90/1039594990.db2.gz HZMYVYMCEXALIR-UHFFFAOYSA-N 2 2 319.452 3.621 20 30 DHEDLP N#CC1(c2ccc(C[NH2+]CCCCNc3cccc[nH+]3)cc2)CC1 ZINC000594920485 1039927607 /nfs/dbraw/zinc/92/76/07/1039927607.db2.gz APQBQENWTBBUON-UHFFFAOYSA-N 2 2 320.440 3.619 20 30 DHEDLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000596649831 1040539341 /nfs/dbraw/zinc/53/93/41/1040539341.db2.gz MJTYGBNRXTWKSU-QHAWAJNXSA-N 2 2 319.452 3.745 20 30 DHEDLP N#CC1CCC([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000602656161 1041144599 /nfs/dbraw/zinc/14/45/99/1041144599.db2.gz MYWMRQKOJGXUAJ-UHFFFAOYSA-N 2 2 303.494 3.705 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc3cccc(OC)c3o2)CC1 ZINC000181717055 334978480 /nfs/dbraw/zinc/97/84/80/334978480.db2.gz CDKDCGGLIIZGTI-AWEZNQCLSA-N 2 2 314.429 3.742 20 30 DHEDLP CCC[NH+]1CCC([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000183314158 335021766 /nfs/dbraw/zinc/02/17/66/335021766.db2.gz FLJLVHOLRMQAKA-UHFFFAOYSA-N 2 2 324.390 3.521 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2cccc(Cl)c2O)CC1 ZINC000287624759 335048811 /nfs/dbraw/zinc/04/88/11/335048811.db2.gz JYOBFWZKRKKLMV-INIZCTEOSA-N 2 2 308.853 3.737 20 30 DHEDLP C=CCOc1ccccc1C[N@@H+](C)C1CC[NH+](CCC)CC1 ZINC000092165561 332114296 /nfs/dbraw/zinc/11/42/96/332114296.db2.gz CLEZCQNFUIMBHH-UHFFFAOYSA-N 2 2 302.462 3.558 20 30 DHEDLP C=CCOc1ccccc1C[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000092165561 332114297 /nfs/dbraw/zinc/11/42/97/332114297.db2.gz CLEZCQNFUIMBHH-UHFFFAOYSA-N 2 2 302.462 3.558 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2sc(CC)nc2C)CC1 ZINC000152940842 332332843 /nfs/dbraw/zinc/33/28/43/332332843.db2.gz WIISEDFKJKTUCT-CYBMUJFWSA-N 2 2 307.507 3.705 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC(C)C)c2ccccn2)CC1 ZINC000152944415 332333678 /nfs/dbraw/zinc/33/36/78/332333678.db2.gz XOHHIIBWDRSSQE-IBGZPJMESA-N 2 2 301.478 3.799 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000153014902 332340034 /nfs/dbraw/zinc/34/00/34/332340034.db2.gz YAMUWCLVNJMQOT-QGZVFWFLSA-N 3 2 324.472 3.563 20 30 DHEDLP N#Cc1csc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000093016856 333243100 /nfs/dbraw/zinc/24/31/00/333243100.db2.gz MADKPQDAYTXNQF-INIZCTEOSA-N 2 2 317.502 3.708 20 30 DHEDLP N#Cc1csc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000093016856 333243101 /nfs/dbraw/zinc/24/31/01/333243101.db2.gz MADKPQDAYTXNQF-INIZCTEOSA-N 2 2 317.502 3.708 20 30 DHEDLP CC(C)(C#N)c1ccccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000268977598 333996968 /nfs/dbraw/zinc/99/69/68/333996968.db2.gz NZAUNWWMNVXBID-UHFFFAOYSA-N 2 2 308.429 3.590 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534973138 334350906 /nfs/dbraw/zinc/35/09/06/334350906.db2.gz ARYVWQZZPQJEGC-GOSISDBHSA-N 2 2 304.865 3.957 20 30 DHEDLP Cc1c[nH]c(-c2ccccc2NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)[nH+]1 ZINC000330245225 336129235 /nfs/dbraw/zinc/12/92/35/336129235.db2.gz XPOSYFUUHADYMQ-OKILXGFUSA-N 2 2 312.417 3.846 20 30 DHEDLP Cc1c[nH]c(-c2ccccc2NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)[nH+]1 ZINC000330245225 336129237 /nfs/dbraw/zinc/12/92/37/336129237.db2.gz XPOSYFUUHADYMQ-OKILXGFUSA-N 2 2 312.417 3.846 20 30 DHEDLP C=CCCCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000359314247 336667332 /nfs/dbraw/zinc/66/73/32/336667332.db2.gz QYHURNMYMLTJQR-QGZVFWFLSA-N 2 2 301.478 3.771 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000177912118 337158804 /nfs/dbraw/zinc/15/88/04/337158804.db2.gz MEQRQMBZAILTID-ZDUSSCGKSA-N 2 2 310.388 3.589 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000177908062 337158956 /nfs/dbraw/zinc/15/89/56/337158956.db2.gz CZIFBRFRZUIBLZ-ZDUSSCGKSA-N 2 2 310.388 3.589 20 30 DHEDLP C=CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000180609701 337176704 /nfs/dbraw/zinc/17/67/04/337176704.db2.gz UJORQVZNALTVQS-APWZRJJASA-N 2 2 311.429 3.531 20 30 DHEDLP C=CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000180609701 337176705 /nfs/dbraw/zinc/17/67/05/337176705.db2.gz UJORQVZNALTVQS-APWZRJJASA-N 2 2 311.429 3.531 20 30 DHEDLP C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000180648607 337176939 /nfs/dbraw/zinc/17/69/39/337176939.db2.gz VDZDAUZYFXUYIJ-CQSZACIVSA-N 2 2 320.371 3.734 20 30 DHEDLP C=CCC[C@@H](CC)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429437454 338081058 /nfs/dbraw/zinc/08/10/58/338081058.db2.gz ZZDZKFVUYBNFRP-UXHICEINSA-N 2 2 316.489 3.612 20 30 DHEDLP C=CCC[C@@H](CC)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429437454 338081059 /nfs/dbraw/zinc/08/10/59/338081059.db2.gz ZZDZKFVUYBNFRP-UXHICEINSA-N 2 2 316.489 3.612 20 30 DHEDLP N#C[C@H]1CCC[C@@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000442892203 338438811 /nfs/dbraw/zinc/43/88/11/338438811.db2.gz USHSLIXUXQXYLF-ZWKOTPCHSA-N 2 2 303.494 3.705 20 30 DHEDLP C[C@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463245861 339111764 /nfs/dbraw/zinc/11/17/64/339111764.db2.gz FXLPFOHOGIZQCO-QFBILLFUSA-N 2 2 311.473 3.548 20 30 DHEDLP CC1=CC[N@H+](CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000547280510 341203381 /nfs/dbraw/zinc/20/33/81/341203381.db2.gz HUMZRGVYFUERMA-UHFFFAOYSA-N 2 2 323.484 3.632 20 30 DHEDLP CC1=CC[N@@H+](CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000547280510 341203382 /nfs/dbraw/zinc/20/33/82/341203382.db2.gz HUMZRGVYFUERMA-UHFFFAOYSA-N 2 2 323.484 3.632 20 30 DHEDLP CCc1[nH+]c2cc(C[NH2+][C@H]3CC[C@H](C#N)C3)ccc2n1C1CC1 ZINC000549610288 341298872 /nfs/dbraw/zinc/29/88/72/341298872.db2.gz JYDVXFSWJNRAPV-ZFWWWQNUSA-N 2 2 308.429 3.715 20 30 DHEDLP C[NH+](CC(C)(C)C#N)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000552085191 341368390 /nfs/dbraw/zinc/36/83/90/341368390.db2.gz TTXCSSKHEJMCFY-UHFFFAOYSA-N 2 2 301.478 3.626 20 30 DHEDLP C[NH+](CC(C)(C)C#N)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000552085191 341368391 /nfs/dbraw/zinc/36/83/91/341368391.db2.gz TTXCSSKHEJMCFY-UHFFFAOYSA-N 2 2 301.478 3.626 20 30 DHEDLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)CC(C)(C)C#N ZINC000552085191 341368392 /nfs/dbraw/zinc/36/83/92/341368392.db2.gz TTXCSSKHEJMCFY-UHFFFAOYSA-N 2 2 301.478 3.626 20 30 DHEDLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)CC(C)(C)C#N ZINC000552085191 341368393 /nfs/dbraw/zinc/36/83/93/341368393.db2.gz TTXCSSKHEJMCFY-UHFFFAOYSA-N 2 2 301.478 3.626 20 30 DHEDLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)Cc1ccccc1 ZINC000248893097 341389587 /nfs/dbraw/zinc/38/95/87/341389587.db2.gz SVDPXWZBYUOBTR-AABGKKOBSA-N 2 2 313.489 3.611 20 30 DHEDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CC[C@@H](C#N)C2)c(C)c1 ZINC000567317029 341594684 /nfs/dbraw/zinc/59/46/84/341594684.db2.gz MZZQMOBPUBBNNV-AOIWGVFYSA-N 2 2 308.429 3.523 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CCCCCC3)CC2)cc1 ZINC000181391610 526608775 /nfs/dbraw/zinc/60/87/75/526608775.db2.gz ZIXAYLOGCFYDIG-UHFFFAOYSA-N 2 2 311.473 3.835 20 30 DHEDLP C[C@@H]1CC([N@@H+]2CC[C@@](C)(C#N)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056195 1016963337 /nfs/dbraw/zinc/96/33/37/1016963337.db2.gz CYQQDIDDRYZCDH-HLIPFELVSA-N 2 2 311.473 3.664 20 30 DHEDLP C[C@@H]1CC([N@H+]2CC[C@@](C)(C#N)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056195 1016963338 /nfs/dbraw/zinc/96/33/38/1016963338.db2.gz CYQQDIDDRYZCDH-HLIPFELVSA-N 2 2 311.473 3.664 20 30 DHEDLP C=CC(C)(C)CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000858207218 1032802734 /nfs/dbraw/zinc/80/27/34/1032802734.db2.gz ZFNCULOAYAPGCR-UHFFFAOYSA-N 2 2 315.505 3.913 20 30 DHEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000657878171 1019732024 /nfs/dbraw/zinc/73/20/24/1019732024.db2.gz FLJDJDCUZPPGMY-SJLPKXTDSA-N 2 2 308.510 3.600 20 30 DHEDLP Oc1ccccc1/C=[NH+]/CC1CC[NH+](Cc2cccs2)CC1 ZINC000057752396 1020564498 /nfs/dbraw/zinc/56/44/98/1020564498.db2.gz APXITFASCOPRSW-CPNJWEJPSA-N 2 2 314.454 3.785 20 30 DHEDLP CC[NH+]1CCN(c2ccc([NH2+]CC(C)(C)CCC#N)cc2)CC1 ZINC000770484904 1023319813 /nfs/dbraw/zinc/31/98/13/1023319813.db2.gz JDKXWJBPYACPAO-UHFFFAOYSA-N 2 2 314.477 3.570 20 30 DHEDLP C[C@@H](CCCC#N)[NH2+]CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001172477044 1033192968 /nfs/dbraw/zinc/19/29/68/1033192968.db2.gz UEIVKEYYRIVSGL-SFHVURJKSA-N 2 2 313.489 3.613 20 30 DHEDLP CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000268960445 1024204962 /nfs/dbraw/zinc/20/49/62/1024204962.db2.gz ICPQRXWNOCYIOE-INIZCTEOSA-N 2 2 308.429 3.590 20 30 DHEDLP CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000268960445 1024204966 /nfs/dbraw/zinc/20/49/66/1024204966.db2.gz ICPQRXWNOCYIOE-INIZCTEOSA-N 2 2 308.429 3.590 20 30 DHEDLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C[C@H]1c1ccccc1 ZINC000453361224 1024487723 /nfs/dbraw/zinc/48/77/23/1024487723.db2.gz APKXQZXKHKVUJK-QUCCMNQESA-N 2 2 323.415 3.622 20 30 DHEDLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C[C@H]1c1ccccc1 ZINC000453361224 1024487727 /nfs/dbraw/zinc/48/77/27/1024487727.db2.gz APKXQZXKHKVUJK-QUCCMNQESA-N 2 2 323.415 3.622 20 30 DHEDLP C=CCCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000578495160 1028166382 /nfs/dbraw/zinc/16/63/82/1028166382.db2.gz FYSQJGDCLRVQKZ-MJGOQNOKSA-N 2 2 301.478 3.628 20 30 DHEDLP C=CCCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000578495160 1028166393 /nfs/dbraw/zinc/16/63/93/1028166393.db2.gz FYSQJGDCLRVQKZ-MJGOQNOKSA-N 2 2 301.478 3.628 20 30 DHEDLP C=CCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000578495161 1028166979 /nfs/dbraw/zinc/16/69/79/1028166979.db2.gz FYSQJGDCLRVQKZ-PKOBYXMFSA-N 2 2 301.478 3.628 20 30 DHEDLP C=CCCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000578495161 1028166988 /nfs/dbraw/zinc/16/69/88/1028166988.db2.gz FYSQJGDCLRVQKZ-PKOBYXMFSA-N 2 2 301.478 3.628 20 30 DHEDLP CC(=NNc1cc[nH+]c2ccccc12)c1ccc(C[NH+](C)C)cc1 ZINC000814841155 1028239842 /nfs/dbraw/zinc/23/98/42/1028239842.db2.gz DGADWJTWDDDUSY-UHFFFAOYSA-N 2 2 318.424 3.554 20 30 DHEDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000369032377 1028436027 /nfs/dbraw/zinc/43/60/27/1028436027.db2.gz JIXAYFDTCNJBPE-GOSISDBHSA-N 2 2 308.429 3.715 20 30 DHEDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000369032377 1028436031 /nfs/dbraw/zinc/43/60/31/1028436031.db2.gz JIXAYFDTCNJBPE-GOSISDBHSA-N 2 2 308.429 3.715 20 30 DHEDLP C[C@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccc(OCC#N)cc1 ZINC000817960228 1029300478 /nfs/dbraw/zinc/30/04/78/1029300478.db2.gz KRSWPTGWCAVYHP-INIZCTEOSA-N 2 2 315.461 3.552 20 30 DHEDLP C=C1CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000926924911 1031000859 /nfs/dbraw/zinc/00/08/59/1031000859.db2.gz GHOYCWAKROLCEC-PXNSSMCTSA-N 2 2 313.489 3.628 20 30 DHEDLP C=C1CCC(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000926924911 1031000875 /nfs/dbraw/zinc/00/08/75/1031000875.db2.gz GHOYCWAKROLCEC-PXNSSMCTSA-N 2 2 313.489 3.628 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000361240610 1031809121 /nfs/dbraw/zinc/80/91/21/1031809121.db2.gz OIYKGSBTRUGIJJ-KRWDZBQOSA-N 2 2 320.864 3.794 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](c2cc(F)ccc2F)C(C)C)CC1 ZINC000479069957 1033646277 /nfs/dbraw/zinc/64/62/77/1033646277.db2.gz QZCLSGCBKONIGN-SFHVURJKSA-N 2 2 308.416 3.902 20 30 DHEDLP N#CCC1CCC(N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173334232 1033692153 /nfs/dbraw/zinc/69/21/53/1033692153.db2.gz UQTNKUKRDBDUMB-QXINMDOSSA-N 2 2 312.461 3.630 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OCC)CC1 ZINC001177683493 1035386924 /nfs/dbraw/zinc/38/69/24/1035386924.db2.gz FZPDAUWDVFMCIK-UHFFFAOYSA-N 2 2 322.880 3.869 20 30 DHEDLP CC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271831444 1036552418 /nfs/dbraw/zinc/55/24/18/1036552418.db2.gz DWHCTUXKSIXGCG-QUCCMNQESA-N 2 2 311.473 3.691 20 30 DHEDLP C[C@@H](C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C(C)(C)C ZINC000593695541 1039083340 /nfs/dbraw/zinc/08/33/40/1039083340.db2.gz QHUQRNYUSINYGM-INIZCTEOSA-N 2 2 313.489 3.794 20 30 DHEDLP CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000594523257 1039827378 /nfs/dbraw/zinc/82/73/78/1039827378.db2.gz OJVGJPFBZHTBCH-MOPGFXCFSA-N 2 2 311.473 3.594 20 30 DHEDLP CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000594523257 1039827403 /nfs/dbraw/zinc/82/74/03/1039827403.db2.gz OJVGJPFBZHTBCH-MOPGFXCFSA-N 2 2 311.473 3.594 20 30 DHEDLP CC(C)[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000594992698 1040009960 /nfs/dbraw/zinc/00/99/60/1040009960.db2.gz JHUDQRRRKDBFDO-HXUWFJFHSA-N 2 2 311.473 3.547 20 30 DHEDLP C[C@@H](CCC#N)C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000602671102 1041139940 /nfs/dbraw/zinc/13/99/40/1041139940.db2.gz JGYFHLHLWVKNAB-ZDUSSCGKSA-N 2 2 302.809 3.555 20 30 DHEDLP CC(C)C1(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000602708873 1041173496 /nfs/dbraw/zinc/17/34/96/1041173496.db2.gz YWQASIUZYZRFHB-UHFFFAOYSA-N 2 2 311.473 3.548 20 30 DHEDLP CCc1ccc[nH+]c1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000272240471 130011626 /nfs/dbraw/zinc/01/16/26/130011626.db2.gz JKSZTJPFXPDEBR-UHFFFAOYSA-N 2 2 320.440 3.592 20 30 DHEDLP C[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000132797513 332133676 /nfs/dbraw/zinc/13/36/76/332133676.db2.gz YSQDNZWTQFJSOS-UWJYYQICSA-N 2 2 319.452 3.873 20 30 DHEDLP C[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000132797513 332133677 /nfs/dbraw/zinc/13/36/77/332133677.db2.gz YSQDNZWTQFJSOS-UWJYYQICSA-N 2 2 319.452 3.873 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000152988817 332332303 /nfs/dbraw/zinc/33/23/03/332332303.db2.gz OIYNUABIGMGJEG-LBPRGKRZSA-N 2 2 312.379 3.795 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3nc(CC)sc32)CC1 ZINC000152996193 332333688 /nfs/dbraw/zinc/33/36/88/332333688.db2.gz YCTITYXATZNCKS-OAHLLOKOSA-N 2 2 319.518 3.713 20 30 DHEDLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000182173329 333037286 /nfs/dbraw/zinc/03/72/86/333037286.db2.gz MTNSPKMOZFONGT-SJORKVTESA-N 2 2 307.441 3.729 20 30 DHEDLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000182173329 333037287 /nfs/dbraw/zinc/03/72/87/333037287.db2.gz MTNSPKMOZFONGT-SJORKVTESA-N 2 2 307.441 3.729 20 30 DHEDLP CC(C)(CCC#N)C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000296140373 334230245 /nfs/dbraw/zinc/23/02/45/334230245.db2.gz VCLIUKXIBJMMBT-UHFFFAOYSA-N 2 2 316.836 3.945 20 30 DHEDLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cccc(C#N)c1 ZINC000344105846 335223646 /nfs/dbraw/zinc/22/36/46/335223646.db2.gz QKWDNZJZGRXZDH-HNNXBMFYSA-N 2 2 302.381 3.595 20 30 DHEDLP C[C@@H]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000366868978 335254472 /nfs/dbraw/zinc/25/44/72/335254472.db2.gz OZXUDRWGDWPBLB-APWZRJJASA-N 2 2 311.473 3.548 20 30 DHEDLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(C#N)cc1Cl ZINC000373524447 336963908 /nfs/dbraw/zinc/96/39/08/336963908.db2.gz SJLPNKLVERLGMF-IUDNXUCKSA-N 2 2 317.864 3.879 20 30 DHEDLP Cc1c[nH+]ccc1CC[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000582662675 337117540 /nfs/dbraw/zinc/11/75/40/337117540.db2.gz INROOHDJSFZAHG-UHFFFAOYSA-N 2 2 307.441 3.962 20 30 DHEDLP Cc1c[nH+]ccc1CC[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000582662675 337117541 /nfs/dbraw/zinc/11/75/41/337117541.db2.gz INROOHDJSFZAHG-UHFFFAOYSA-N 2 2 307.441 3.962 20 30 DHEDLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccccc2C#N)cc1 ZINC000179095419 337167172 /nfs/dbraw/zinc/16/71/72/337167172.db2.gz QCQWMZQRNIMUTG-HNNXBMFYSA-N 2 2 316.408 3.903 20 30 DHEDLP CCCC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000182016376 337185674 /nfs/dbraw/zinc/18/56/74/337185674.db2.gz SYUCZJYAOMUBEF-UHFFFAOYSA-N 2 2 311.473 3.693 20 30 DHEDLP C=C(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000272527283 337649235 /nfs/dbraw/zinc/64/92/35/337649235.db2.gz IQUMKFJHBFKJGD-UHFFFAOYSA-N 2 2 312.379 3.706 20 30 DHEDLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000154323577 338241279 /nfs/dbraw/zinc/24/12/79/338241279.db2.gz UMHQKNGMNPESPH-WWMYMODYSA-N 2 2 319.452 3.872 20 30 DHEDLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000154323577 338241280 /nfs/dbraw/zinc/24/12/80/338241280.db2.gz UMHQKNGMNPESPH-WWMYMODYSA-N 2 2 319.452 3.872 20 30 DHEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000439437124 338369478 /nfs/dbraw/zinc/36/94/78/338369478.db2.gz ISRWXWVPQOSGEU-QGZVFWFLSA-N 2 2 317.864 3.662 20 30 DHEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000439437124 338369479 /nfs/dbraw/zinc/36/94/79/338369479.db2.gz ISRWXWVPQOSGEU-QGZVFWFLSA-N 2 2 317.864 3.662 20 30 DHEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000439437667 338369538 /nfs/dbraw/zinc/36/95/38/338369538.db2.gz IFZNGYJOLVYHLR-XJKSGUPXSA-N 2 2 305.853 3.516 20 30 DHEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000439437667 338369539 /nfs/dbraw/zinc/36/95/39/338369539.db2.gz IFZNGYJOLVYHLR-XJKSGUPXSA-N 2 2 305.853 3.516 20 30 DHEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000439437667 338369540 /nfs/dbraw/zinc/36/95/40/338369540.db2.gz IFZNGYJOLVYHLR-XJKSGUPXSA-N 2 2 305.853 3.516 20 30 DHEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000439437667 338369541 /nfs/dbraw/zinc/36/95/41/338369541.db2.gz IFZNGYJOLVYHLR-XJKSGUPXSA-N 2 2 305.853 3.516 20 30 DHEDLP CC1CC[NH+]([C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)c2cccs2)CC1 ZINC000442633745 338426441 /nfs/dbraw/zinc/42/64/41/338426441.db2.gz KYKWDKROFLFNED-BRWVUGGUSA-N 2 2 317.502 3.803 20 30 DHEDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCC[C@@H](C#N)C2)c(C)c1 ZINC000463247222 339111798 /nfs/dbraw/zinc/11/17/98/339111798.db2.gz VACFDHGCROVXFP-HBFSDRIKSA-N 2 2 322.456 3.913 20 30 DHEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C[N@H+](Cc2ccccc2)C1 ZINC000468363596 339260752 /nfs/dbraw/zinc/26/07/52/339260752.db2.gz VENJSVIUPUAYPT-DYESRHJHSA-N 2 2 319.452 3.558 20 30 DHEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000468363596 339260753 /nfs/dbraw/zinc/26/07/53/339260753.db2.gz VENJSVIUPUAYPT-DYESRHJHSA-N 2 2 319.452 3.558 20 30 DHEDLP C=CC[C@@H](C)[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000539688382 340896016 /nfs/dbraw/zinc/89/60/16/340896016.db2.gz GWTXRAUGSMWJDI-HZPDHXFCSA-N 2 2 316.493 3.625 20 30 DHEDLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000246830095 341357389 /nfs/dbraw/zinc/35/73/89/341357389.db2.gz BPZMKSKZLNXSSB-XGHQBKJUSA-N 2 2 319.452 3.729 20 30 DHEDLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000246830095 341357390 /nfs/dbraw/zinc/35/73/90/341357390.db2.gz BPZMKSKZLNXSSB-XGHQBKJUSA-N 2 2 319.452 3.729 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000575436347 341798454 /nfs/dbraw/zinc/79/84/54/341798454.db2.gz NWRMGMOTCGYWER-LJQANCHMSA-N 2 2 318.892 3.901 20 30 DHEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181396024 525403211 /nfs/dbraw/zinc/40/32/11/525403211.db2.gz HEQRRDMZPLRDNS-QGZVFWFLSA-N 2 2 319.452 3.873 20 30 DHEDLP C=CC[NH+]1CCC([NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527656247 1027823670 /nfs/dbraw/zinc/82/36/70/1027823670.db2.gz FSVZYYMGOHRZAG-UHFFFAOYSA-N 2 2 304.381 3.507 20 30 DHEDLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000131001682 1018709431 /nfs/dbraw/zinc/70/94/31/1018709431.db2.gz PKZXTQKJDHZEIW-INIZCTEOSA-N 2 2 314.477 3.527 20 30 DHEDLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc(C#N)cs2)C1 ZINC000092588056 1020100165 /nfs/dbraw/zinc/10/01/65/1020100165.db2.gz YEPKJMVPFGCBGW-JKSUJKDBSA-N 2 2 317.502 3.706 20 30 DHEDLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc(C#N)cs2)C1 ZINC000092588056 1020100172 /nfs/dbraw/zinc/10/01/72/1020100172.db2.gz YEPKJMVPFGCBGW-JKSUJKDBSA-N 2 2 317.502 3.706 20 30 DHEDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000092588056 1020100181 /nfs/dbraw/zinc/10/01/81/1020100181.db2.gz YEPKJMVPFGCBGW-JKSUJKDBSA-N 2 2 317.502 3.706 20 30 DHEDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000092588056 1020100183 /nfs/dbraw/zinc/10/01/83/1020100183.db2.gz YEPKJMVPFGCBGW-JKSUJKDBSA-N 2 2 317.502 3.706 20 30 DHEDLP CC[C@@H](CC#N)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172077455 1032980163 /nfs/dbraw/zinc/98/01/63/1032980163.db2.gz SUCLHWDZLDZFMD-LWYYNNOASA-N 2 2 311.473 3.854 20 30 DHEDLP CC[C@@H](CC#N)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077455 1032980171 /nfs/dbraw/zinc/98/01/71/1032980171.db2.gz SUCLHWDZLDZFMD-LWYYNNOASA-N 2 2 311.473 3.854 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2ccc3c(c2)CCCO3)CC1 ZINC000768102081 1022885817 /nfs/dbraw/zinc/88/58/17/1022885817.db2.gz MWUAONSPQJOWLX-IBGZPJMESA-N 2 2 314.473 3.703 20 30 DHEDLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC2(C#N)CCC2)CC1 ZINC000418143957 1022972223 /nfs/dbraw/zinc/97/22/23/1022972223.db2.gz RNKMNHFEPPNALE-UHFFFAOYSA-N 2 2 305.510 3.949 20 30 DHEDLP CC[C@@H](CC(C)C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001172387386 1033174053 /nfs/dbraw/zinc/17/40/53/1033174053.db2.gz UZGWBAPXWDLZFY-IBGZPJMESA-N 2 2 313.489 3.937 20 30 DHEDLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C[C@@H]1c1ccccc1 ZINC000453361220 1024487390 /nfs/dbraw/zinc/48/73/90/1024487390.db2.gz APKXQZXKHKVUJK-AZUAARDMSA-N 2 2 323.415 3.622 20 30 DHEDLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C[C@@H]1c1ccccc1 ZINC000453361220 1024487396 /nfs/dbraw/zinc/48/73/96/1024487396.db2.gz APKXQZXKHKVUJK-AZUAARDMSA-N 2 2 323.415 3.622 20 30 DHEDLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2ccc(C#N)cc2)CC1 ZINC000374364606 1029314318 /nfs/dbraw/zinc/31/43/18/1029314318.db2.gz UJPQIKRQZZEBHH-UHFFFAOYSA-N 2 2 319.452 3.655 20 30 DHEDLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2ccc(C#N)cc2)CC1 ZINC000374364606 1029314328 /nfs/dbraw/zinc/31/43/28/1029314328.db2.gz UJPQIKRQZZEBHH-UHFFFAOYSA-N 2 2 319.452 3.655 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCCC3CC3)CC2)cc1 ZINC000865786231 1030025538 /nfs/dbraw/zinc/02/55/38/1030025538.db2.gz GPGQOQAQGXQPEL-UHFFFAOYSA-N 2 2 311.473 3.693 20 30 DHEDLP C=C(C)C[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533532676 1030407774 /nfs/dbraw/zinc/40/77/74/1030407774.db2.gz AFYXQFCFQQCWSD-UHFFFAOYSA-N 2 2 316.493 3.775 20 30 DHEDLP C=C(C)C[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533532676 1030407784 /nfs/dbraw/zinc/40/77/84/1030407784.db2.gz AFYXQFCFQQCWSD-UHFFFAOYSA-N 2 2 316.493 3.775 20 30 DHEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872102940 1031494113 /nfs/dbraw/zinc/49/41/13/1031494113.db2.gz UUBBFAZOJCVWEO-KRWDZBQOSA-N 2 2 311.473 3.960 20 30 DHEDLP N#CC1(CCCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)CCC1 ZINC000930129348 1031707194 /nfs/dbraw/zinc/70/71/94/1031707194.db2.gz OKJHLCZAXZKLSJ-UHFFFAOYSA-N 2 2 312.461 3.822 20 30 DHEDLP CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001173265342 1033635630 /nfs/dbraw/zinc/63/56/30/1033635630.db2.gz SIBRDCWNXVVGQD-OXQOHEQNSA-N 2 2 311.473 3.691 20 30 DHEDLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C#N)cc1 ZINC000774149430 1036196891 /nfs/dbraw/zinc/19/68/91/1036196891.db2.gz WILZLFVZTFJPPS-HXUWFJFHSA-N 2 2 316.408 3.985 20 30 DHEDLP CCCCCCCC[N@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001201804759 1037902394 /nfs/dbraw/zinc/90/23/94/1037902394.db2.gz RXBBFUPOPZMVMI-BGYRXZFFSA-N 2 2 315.505 3.806 20 30 DHEDLP CCCCCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001201804759 1037902402 /nfs/dbraw/zinc/90/24/02/1037902402.db2.gz RXBBFUPOPZMVMI-BGYRXZFFSA-N 2 2 315.505 3.806 20 30 DHEDLP CCCCCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001201804759 1037902407 /nfs/dbraw/zinc/90/24/07/1037902407.db2.gz RXBBFUPOPZMVMI-BGYRXZFFSA-N 2 2 315.505 3.806 20 30 DHEDLP CCCCCCCC[NH+]1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001201804759 1037902411 /nfs/dbraw/zinc/90/24/11/1037902411.db2.gz RXBBFUPOPZMVMI-BGYRXZFFSA-N 2 2 315.505 3.806 20 30 DHEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595511496 1040158001 /nfs/dbraw/zinc/15/80/01/1040158001.db2.gz RRXXGRHEJGCMPT-QGZVFWFLSA-N 2 2 319.452 3.873 20 30 DHEDLP Cc1ccc(C2CC[NH+](CC#Cc3ccc(F)cc3)CC2)c[nH+]1 ZINC000363672455 332216255 /nfs/dbraw/zinc/21/62/55/332216255.db2.gz NKMJEFKJKZGEKC-UHFFFAOYSA-N 2 2 308.400 3.760 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)cc2F)CC1 ZINC000152947657 332332190 /nfs/dbraw/zinc/33/21/90/332332190.db2.gz PODSGDYFFPXVLW-CQSZACIVSA-N 2 2 306.425 3.525 20 30 DHEDLP CC(C)(CCC#N)C[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000174255376 333084108 /nfs/dbraw/zinc/08/41/08/333084108.db2.gz ABTWJFJALACNIN-UHFFFAOYSA-N 2 2 313.489 3.743 20 30 DHEDLP CC(C)(CCC#N)C[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000174255376 333084109 /nfs/dbraw/zinc/08/41/09/333084109.db2.gz ABTWJFJALACNIN-UHFFFAOYSA-N 2 2 313.489 3.743 20 30 DHEDLP N#CCCCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000180192717 333159314 /nfs/dbraw/zinc/15/93/14/333159314.db2.gz LVEKNSYMFJSYAU-UHFFFAOYSA-N 2 2 305.853 3.588 20 30 DHEDLP N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161343801 333373522 /nfs/dbraw/zinc/37/35/22/333373522.db2.gz OEQQSYRXCVVTEG-VQTJNVASSA-N 2 2 311.473 3.634 20 30 DHEDLP N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161343801 333373523 /nfs/dbraw/zinc/37/35/23/333373523.db2.gz OEQQSYRXCVVTEG-VQTJNVASSA-N 2 2 311.473 3.634 20 30 DHEDLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC000443004693 338441609 /nfs/dbraw/zinc/44/16/09/338441609.db2.gz WNBCSRPOWSYLBQ-UZLBHIALSA-N 2 2 307.441 3.648 20 30 DHEDLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(C#N)cc1 ZINC000344137739 335221060 /nfs/dbraw/zinc/22/10/60/335221060.db2.gz WRHXJPRLRPFXAJ-ZDUSSCGKSA-N 2 2 308.410 3.656 20 30 DHEDLP CC(C)CC[N@H+](CCC#N)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346147139 335381658 /nfs/dbraw/zinc/38/16/58/335381658.db2.gz UXAIWJUAYXAXND-UHFFFAOYSA-N 2 2 302.447 3.696 20 30 DHEDLP CC(C)CC[N@@H+](CCC#N)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346147139 335381660 /nfs/dbraw/zinc/38/16/60/335381660.db2.gz UXAIWJUAYXAXND-UHFFFAOYSA-N 2 2 302.447 3.696 20 30 DHEDLP C[C@H](CCC1CC1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000361460465 336757425 /nfs/dbraw/zinc/75/74/25/336757425.db2.gz XTTDVBXNOWBFPX-MRXNPFEDSA-N 2 2 311.473 3.691 20 30 DHEDLP CC(C)C(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000188712268 337031192 /nfs/dbraw/zinc/03/11/92/337031192.db2.gz RYHIYPHDKHJFMC-UHFFFAOYSA-N 2 2 313.489 3.794 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](CCC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000177909321 337158865 /nfs/dbraw/zinc/15/88/65/337158865.db2.gz HITCDOJCRTYSIR-GOSISDBHSA-N 2 2 317.433 3.676 20 30 DHEDLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(C#N)c1 ZINC000181568986 337183041 /nfs/dbraw/zinc/18/30/41/337183041.db2.gz UJXUMNLDAOBSJS-HNNXBMFYSA-N 2 2 302.381 3.595 20 30 DHEDLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000428441206 338051625 /nfs/dbraw/zinc/05/16/25/338051625.db2.gz PGQJPRHDSSBKGC-QFBILLFUSA-N 2 2 317.452 3.688 20 30 DHEDLP C=CC[C@H](C)[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000539688384 340895989 /nfs/dbraw/zinc/89/59/89/340895989.db2.gz GWTXRAUGSMWJDI-JKSUJKDBSA-N 2 2 316.493 3.625 20 30 DHEDLP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1ccc(C#N)cc1)c1ccccc1 ZINC000074372293 341144851 /nfs/dbraw/zinc/14/48/51/341144851.db2.gz BYDVBKSTDDHUPW-INIZCTEOSA-N 2 2 307.441 3.777 20 30 DHEDLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)Cc1ccccc1 ZINC000248893102 341389622 /nfs/dbraw/zinc/38/96/22/341389622.db2.gz SVDPXWZBYUOBTR-AQNXPRMDSA-N 2 2 313.489 3.611 20 30 DHEDLP Cc1ccccc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181408228 525167504 /nfs/dbraw/zinc/16/75/04/525167504.db2.gz HWTJUNLQRFDSQK-UHFFFAOYSA-N 2 2 319.452 3.621 20 30 DHEDLP C#CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C1CCCCC1 ZINC001167273755 1013488978 /nfs/dbraw/zinc/48/89/78/1013488978.db2.gz RLWYWTKNNBUCFM-UHFFFAOYSA-N 2 2 307.441 3.949 20 30 DHEDLP C#CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C1CCCCC1 ZINC001167273755 1013488987 /nfs/dbraw/zinc/48/89/87/1013488987.db2.gz RLWYWTKNNBUCFM-UHFFFAOYSA-N 2 2 307.441 3.949 20 30 DHEDLP C=CCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1ccco1 ZINC000276490484 1015211143 /nfs/dbraw/zinc/21/11/43/1015211143.db2.gz UWEIBRZOKPBNPX-QGZVFWFLSA-N 2 2 322.412 3.966 20 30 DHEDLP CC[N@H+](CCC(C)(C)C#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000131739600 1018757195 /nfs/dbraw/zinc/75/71/95/1018757195.db2.gz SSFXMQXSWOIXBE-UHFFFAOYSA-N 2 2 314.477 3.560 20 30 DHEDLP CC[N@@H+](CCC(C)(C)C#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000131739600 1018757212 /nfs/dbraw/zinc/75/72/12/1018757212.db2.gz SSFXMQXSWOIXBE-UHFFFAOYSA-N 2 2 314.477 3.560 20 30 DHEDLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000278593515 1018896807 /nfs/dbraw/zinc/89/68/07/1018896807.db2.gz LHWMBFMOCVTPBF-MRXNPFEDSA-N 2 2 321.424 3.866 20 30 DHEDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000390569854 1020210078 /nfs/dbraw/zinc/21/00/78/1020210078.db2.gz BCCZSODZKWCXEA-UTKZUKDTSA-N 2 2 319.452 3.873 20 30 DHEDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000390569854 1020210084 /nfs/dbraw/zinc/21/00/84/1020210084.db2.gz BCCZSODZKWCXEA-UTKZUKDTSA-N 2 2 319.452 3.873 20 30 DHEDLP CC[NH+](CC)[C@@H](C[NH2+]CC(C)(C)CCC#N)c1ccccc1 ZINC000174238164 1020966423 /nfs/dbraw/zinc/96/64/23/1020966423.db2.gz AIHMEDWXYZYUCM-SFHVURJKSA-N 2 2 301.478 3.989 20 30 DHEDLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C#N)cc1 ZINC000181479685 1021200247 /nfs/dbraw/zinc/20/02/47/1021200247.db2.gz XWTHZAGKERSABZ-MRXNPFEDSA-N 2 2 316.408 3.654 20 30 DHEDLP CC1(C)C[C@H]([NH2+]Cc2cc(C#N)co2)CC[N@@H+]1Cc1ccccc1 ZINC001171980977 1032965147 /nfs/dbraw/zinc/96/51/47/1032965147.db2.gz YRZLIKMJDUFYBJ-GOSISDBHSA-N 2 2 323.440 3.684 20 30 DHEDLP CC1(C)C[C@H]([NH2+]Cc2cc(C#N)co2)CC[N@H+]1Cc1ccccc1 ZINC001171980977 1032965158 /nfs/dbraw/zinc/96/51/58/1032965158.db2.gz YRZLIKMJDUFYBJ-GOSISDBHSA-N 2 2 323.440 3.684 20 30 DHEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000154648366 1021455047 /nfs/dbraw/zinc/45/50/47/1021455047.db2.gz TYKIPFGKZWDVOX-ZBFHGGJFSA-N 2 2 308.853 3.563 20 30 DHEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000154648366 1021455055 /nfs/dbraw/zinc/45/50/55/1021455055.db2.gz TYKIPFGKZWDVOX-ZBFHGGJFSA-N 2 2 308.853 3.563 20 30 DHEDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](CCC#N)C1CCCCCCC1)C2 ZINC001169141356 1022272545 /nfs/dbraw/zinc/27/25/45/1022272545.db2.gz XEOBZRXFPIPRRN-BWTSREIZSA-N 2 2 303.494 3.940 20 30 DHEDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](CCC#N)C1CCCCCCC1)C2 ZINC001169141356 1022272549 /nfs/dbraw/zinc/27/25/49/1022272549.db2.gz XEOBZRXFPIPRRN-BWTSREIZSA-N 2 2 303.494 3.940 20 30 DHEDLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+](CCC#N)C1CCCCCCC1)C2 ZINC001169141356 1022272554 /nfs/dbraw/zinc/27/25/54/1022272554.db2.gz XEOBZRXFPIPRRN-BWTSREIZSA-N 2 2 303.494 3.940 20 30 DHEDLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](CCC#N)C1CCCCCCC1)C2 ZINC001169141356 1022272560 /nfs/dbraw/zinc/27/25/60/1022272560.db2.gz XEOBZRXFPIPRRN-BWTSREIZSA-N 2 2 303.494 3.940 20 30 DHEDLP C=CCC[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CC1 ZINC000090667452 1026081181 /nfs/dbraw/zinc/08/11/81/1026081181.db2.gz UQMDSRFBMGHBNM-OXQOHEQNSA-N 2 2 313.489 3.941 20 30 DHEDLP CC1(C#N)CCC([NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000423408152 1027541052 /nfs/dbraw/zinc/54/10/52/1027541052.db2.gz XDDBQZMSTJTGRV-GPJFCIFZSA-N 2 2 307.441 3.902 20 30 DHEDLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000423498345 1027564038 /nfs/dbraw/zinc/56/40/38/1027564038.db2.gz IAOVDSTZADZNFW-WOJBJXKFSA-N 2 2 307.441 3.861 20 30 DHEDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000369032378 1028437968 /nfs/dbraw/zinc/43/79/68/1028437968.db2.gz JIXAYFDTCNJBPE-SFHVURJKSA-N 2 2 308.429 3.715 20 30 DHEDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000369032378 1028437972 /nfs/dbraw/zinc/43/79/72/1028437972.db2.gz JIXAYFDTCNJBPE-SFHVURJKSA-N 2 2 308.429 3.715 20 30 DHEDLP N#CC1CCC(C[NH2+]C2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000374216615 1029241239 /nfs/dbraw/zinc/24/12/39/1029241239.db2.gz KZSXBIJTKFBBOB-UHFFFAOYSA-N 2 2 317.502 3.632 20 30 DHEDLP C=CCC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C1CC1 ZINC000121223453 1029569667 /nfs/dbraw/zinc/56/96/67/1029569667.db2.gz YMCYTDSFSHNNCU-VDGAXYAQSA-N 2 2 313.489 3.626 20 30 DHEDLP C=CCC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C1CC1 ZINC000121223453 1029569673 /nfs/dbraw/zinc/56/96/73/1029569673.db2.gz YMCYTDSFSHNNCU-VDGAXYAQSA-N 2 2 313.489 3.626 20 30 DHEDLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000358571720 1030538669 /nfs/dbraw/zinc/53/86/69/1030538669.db2.gz PKAUJLAAIVHWIW-GJZGRUSLSA-N 2 2 303.425 3.612 20 30 DHEDLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000358571720 1030538678 /nfs/dbraw/zinc/53/86/78/1030538678.db2.gz PKAUJLAAIVHWIW-GJZGRUSLSA-N 2 2 303.425 3.612 20 30 DHEDLP CC[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cccc(C#N)c1O ZINC000926795252 1030931989 /nfs/dbraw/zinc/93/19/89/1030931989.db2.gz FBVHHOJAVUXHEG-RMXPPQQLSA-N 2 2 315.461 3.567 20 30 DHEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000360834500 1031581546 /nfs/dbraw/zinc/58/15/46/1031581546.db2.gz IPLPGMIHFOBZEQ-UFYCRDLUSA-N 2 2 309.457 3.542 20 30 DHEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000360834500 1031581550 /nfs/dbraw/zinc/58/15/50/1031581550.db2.gz IPLPGMIHFOBZEQ-UFYCRDLUSA-N 2 2 309.457 3.542 20 30 DHEDLP CC[C@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)[NH+]1CCCC1 ZINC000360838093 1031584712 /nfs/dbraw/zinc/58/47/12/1031584712.db2.gz SSSWRVZZEFZVJM-UYAOXDASSA-N 2 2 311.473 3.790 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc3cccc(OC)c3o2)CC1 ZINC000181717074 1034347623 /nfs/dbraw/zinc/34/76/23/1034347623.db2.gz CDKDCGGLIIZGTI-CQSZACIVSA-N 2 2 314.429 3.742 20 30 DHEDLP C=CC[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC001174641088 1034524885 /nfs/dbraw/zinc/52/48/85/1034524885.db2.gz AXLRPVUOHUQMFA-LJQANCHMSA-N 2 2 316.489 3.564 20 30 DHEDLP C=CC[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC001174641088 1034524901 /nfs/dbraw/zinc/52/49/01/1034524901.db2.gz AXLRPVUOHUQMFA-LJQANCHMSA-N 2 2 316.489 3.564 20 30 DHEDLP C=CC[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC001174641088 1034524908 /nfs/dbraw/zinc/52/49/08/1034524908.db2.gz AXLRPVUOHUQMFA-LJQANCHMSA-N 2 2 316.489 3.564 20 30 DHEDLP C=CC[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC001174641088 1034524917 /nfs/dbraw/zinc/52/49/17/1034524917.db2.gz AXLRPVUOHUQMFA-LJQANCHMSA-N 2 2 316.489 3.564 20 30 DHEDLP C=CCOc1cccc(C[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)c1 ZINC001178773982 1035449107 /nfs/dbraw/zinc/44/91/07/1035449107.db2.gz FEOVFTLVNLFIOT-IBGZPJMESA-N 2 2 316.489 3.852 20 30 DHEDLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(C#N)cc1 ZINC000774135880 1036193900 /nfs/dbraw/zinc/19/39/00/1036193900.db2.gz WIVZXPKVPSSQMH-ZWKOTPCHSA-N 2 2 310.445 3.910 20 30 DHEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)C(C)C ZINC001199197748 1037213823 /nfs/dbraw/zinc/21/38/23/1037213823.db2.gz IZNPGXVNMBEQJM-IPMKNSEASA-N 2 2 322.537 3.868 20 30 DHEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)C(C)C ZINC001199197750 1037215149 /nfs/dbraw/zinc/21/51/49/1037215149.db2.gz IZNPGXVNMBEQJM-OTWHNJEPSA-N 2 2 322.537 3.868 20 30 DHEDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000775376471 1038300694 /nfs/dbraw/zinc/30/06/94/1038300694.db2.gz QUWYYWPXXXLYNO-RBUKOAKNSA-N 2 2 322.456 3.837 20 30 DHEDLP C=C(C)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000572305590 1038359255 /nfs/dbraw/zinc/35/92/55/1038359255.db2.gz SYGBPWDNBPBMAR-LEWJYISDSA-N 2 2 306.453 3.820 20 30 DHEDLP C=C(C)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000572305590 1038359267 /nfs/dbraw/zinc/35/92/67/1038359267.db2.gz SYGBPWDNBPBMAR-LEWJYISDSA-N 2 2 306.453 3.820 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC34CCCCC4)CC2)cc1 ZINC000598983182 1038976080 /nfs/dbraw/zinc/97/60/80/1038976080.db2.gz CTAQHFRRHBFGID-HXUWFJFHSA-N 2 2 323.484 3.835 20 30 DHEDLP C=CCCSCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000595059898 1040026020 /nfs/dbraw/zinc/02/60/20/1040026020.db2.gz RMLZFUKZGBEECV-OAHLLOKOSA-N 2 2 301.459 3.832 20 30 DHEDLP Cc1cc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)ccc1C#N ZINC000595508710 1040158547 /nfs/dbraw/zinc/15/85/47/1040158547.db2.gz JVTODBCSBGXPJN-UHFFFAOYSA-N 2 2 319.452 3.621 20 30 DHEDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@H](C)CCC#N)c(C)c1 ZINC000602579627 1041111012 /nfs/dbraw/zinc/11/10/12/1041111012.db2.gz CAVGZUXYGVHETG-VQIMIIECSA-N 2 2 310.445 3.771 20 30 DHEDLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C1CCC(C#N)CC1)C1CC1 ZINC000602620559 1041119703 /nfs/dbraw/zinc/11/97/03/1041119703.db2.gz MCZXDHYJFDIGJJ-RRWXTXHCSA-N 2 2 311.473 3.569 20 30 DHEDLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C1CCC(C#N)CC1)C1CC1 ZINC000602620559 1041119709 /nfs/dbraw/zinc/11/97/09/1041119709.db2.gz MCZXDHYJFDIGJJ-RRWXTXHCSA-N 2 2 311.473 3.569 20 30 DHEDLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000289392170 131381445 /nfs/dbraw/zinc/38/14/45/131381445.db2.gz MPZNFIHXBSDSDT-INIZCTEOSA-N 2 2 321.424 3.866 20 30 DHEDLP CC(F)(F)CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000296184190 131947237 /nfs/dbraw/zinc/94/72/37/131947237.db2.gz YBCUAXFGLHPPTA-UHFFFAOYSA-N 2 2 321.415 3.548 20 30 DHEDLP C=CC[NH+](CC=C)[C@@H](CNc1cc[nH+]c(C(C)C)n1)C(C)C ZINC000521239355 434876765 /nfs/dbraw/zinc/87/67/65/434876765.db2.gz IMOBSEMPLADULU-INIZCTEOSA-N 2 2 302.466 3.711 20 30 DHEDLP C=CCC[C@@H]([NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)c1ccco1 ZINC000367520053 332238119 /nfs/dbraw/zinc/23/81/19/332238119.db2.gz TZRSIQSQZFEOPK-MRXNPFEDSA-N 2 2 308.385 3.657 20 30 DHEDLP C[C@H]1C[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000271094852 334018459 /nfs/dbraw/zinc/01/84/59/334018459.db2.gz YAVOCHWZEWRDFX-OMMGITJUSA-N 2 2 323.484 3.605 20 30 DHEDLP C[C@H]1C[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000271094852 334018461 /nfs/dbraw/zinc/01/84/61/334018461.db2.gz YAVOCHWZEWRDFX-OMMGITJUSA-N 2 2 323.484 3.605 20 30 DHEDLP Cc1[nH+]cc(C[NH2+]CC2CCC(C#N)CC2)n1-c1ccccc1 ZINC000281583721 334127037 /nfs/dbraw/zinc/12/70/37/334127037.db2.gz DMMRAAFDZPMRBA-UHFFFAOYSA-N 2 2 308.429 3.600 20 30 DHEDLP C[NH+](CCC[N@H+](C)CCCCC(C)(C)C#N)Cc1ccco1 ZINC000285782255 334150111 /nfs/dbraw/zinc/15/01/11/334150111.db2.gz UFZZIKOBMCNFJX-UHFFFAOYSA-N 2 2 305.466 3.753 20 30 DHEDLP C[NH+](CCC[N@@H+](C)CCCCC(C)(C)C#N)Cc1ccco1 ZINC000285782255 334150113 /nfs/dbraw/zinc/15/01/13/334150113.db2.gz UFZZIKOBMCNFJX-UHFFFAOYSA-N 2 2 305.466 3.753 20 30 DHEDLP C[NH+](CCCCC(C)(C)C#N)CCC[N@H+](C)Cc1ccco1 ZINC000285782255 334150114 /nfs/dbraw/zinc/15/01/14/334150114.db2.gz UFZZIKOBMCNFJX-UHFFFAOYSA-N 2 2 305.466 3.753 20 30 DHEDLP C[NH+](CCCCC(C)(C)C#N)CCC[N@@H+](C)Cc1ccco1 ZINC000285782255 334150116 /nfs/dbraw/zinc/15/01/16/334150116.db2.gz UFZZIKOBMCNFJX-UHFFFAOYSA-N 2 2 305.466 3.753 20 30 DHEDLP C=CC[NH+]1CCC([NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000352853304 336280211 /nfs/dbraw/zinc/28/02/11/336280211.db2.gz NHYAAIJZIBQAPH-UHFFFAOYSA-N 2 2 304.381 3.507 20 30 DHEDLP CC(C)(C#N)CCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361064026 336736332 /nfs/dbraw/zinc/73/63/32/336736332.db2.gz YRKMKQNSNVGIFS-UHFFFAOYSA-N 2 2 302.466 3.705 20 30 DHEDLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(C#N)cc1Cl ZINC000367438743 336822714 /nfs/dbraw/zinc/82/27/14/336822714.db2.gz OXQNMBXWSLXUHX-GFCCVEGCSA-N 2 2 314.820 3.595 20 30 DHEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000377726304 337059709 /nfs/dbraw/zinc/05/97/09/337059709.db2.gz XDXFHTVLJAIKSA-SFHVURJKSA-N 2 2 308.429 3.543 20 30 DHEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000377726304 337059710 /nfs/dbraw/zinc/05/97/10/337059710.db2.gz XDXFHTVLJAIKSA-SFHVURJKSA-N 2 2 308.429 3.543 20 30 DHEDLP C=CCC[C@H](CC)[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000378186994 337068008 /nfs/dbraw/zinc/06/80/08/337068008.db2.gz YDEPNVZOOPHOIW-UWWQBHOKSA-N 2 2 321.534 3.996 20 30 DHEDLP C=CCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000378186994 337068009 /nfs/dbraw/zinc/06/80/09/337068009.db2.gz YDEPNVZOOPHOIW-UWWQBHOKSA-N 2 2 321.534 3.996 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000177912132 337158960 /nfs/dbraw/zinc/15/89/60/337158960.db2.gz MEQRQMBZAILTID-CYBMUJFWSA-N 2 2 310.388 3.589 20 30 DHEDLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000181568881 337183001 /nfs/dbraw/zinc/18/30/01/337183001.db2.gz XLZCBYTYBRQHKP-OAHLLOKOSA-N 2 2 302.381 3.595 20 30 DHEDLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(C#N)cc1 ZINC000192940485 337308637 /nfs/dbraw/zinc/30/86/37/337308637.db2.gz CAVPALYSRYVJNH-CQSZACIVSA-N 2 2 320.371 3.734 20 30 DHEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000527195508 337736707 /nfs/dbraw/zinc/73/67/07/337736707.db2.gz MEBRWLIPTSOCPD-HNNXBMFYSA-N 2 2 306.413 3.591 20 30 DHEDLP C=CC[N@@H+](CCC#N)CCCCCn1c(C)[nH+]c2ccccc21 ZINC000428837040 338061692 /nfs/dbraw/zinc/06/16/92/338061692.db2.gz VSNXFOLYNPMOAF-UHFFFAOYSA-N 2 2 310.445 3.917 20 30 DHEDLP C=CC[N@H+](CCC#N)CCCCCn1c(C)[nH+]c2ccccc21 ZINC000428837040 338061693 /nfs/dbraw/zinc/06/16/93/338061693.db2.gz VSNXFOLYNPMOAF-UHFFFAOYSA-N 2 2 310.445 3.917 20 30 DHEDLP N#C[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000442892196 338438698 /nfs/dbraw/zinc/43/86/98/338438698.db2.gz USHSLIXUXQXYLF-MSOLQXFVSA-N 2 2 303.494 3.705 20 30 DHEDLP CC(C)(CC#N)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000459684398 339043031 /nfs/dbraw/zinc/04/30/31/339043031.db2.gz CIKPMDCIGKFBPP-UHFFFAOYSA-N 2 2 319.880 3.834 20 30 DHEDLP C[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463245859 339111712 /nfs/dbraw/zinc/11/17/12/339111712.db2.gz FXLPFOHOGIZQCO-APWZRJJASA-N 2 2 311.473 3.548 20 30 DHEDLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000466424439 339204177 /nfs/dbraw/zinc/20/41/77/339204177.db2.gz HXVKDSOZGBMUTK-LAUBAEHRSA-N 2 2 319.452 3.526 20 30 DHEDLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000466424439 339204178 /nfs/dbraw/zinc/20/41/78/339204178.db2.gz HXVKDSOZGBMUTK-LAUBAEHRSA-N 2 2 319.452 3.526 20 30 DHEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000466424441 339204249 /nfs/dbraw/zinc/20/42/49/339204249.db2.gz HXVKDSOZGBMUTK-UTKZUKDTSA-N 2 2 319.452 3.526 20 30 DHEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000466424441 339204250 /nfs/dbraw/zinc/20/42/50/339204250.db2.gz HXVKDSOZGBMUTK-UTKZUKDTSA-N 2 2 319.452 3.526 20 30 DHEDLP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccc(C#N)cc1F ZINC000479592022 339542778 /nfs/dbraw/zinc/54/27/78/339542778.db2.gz NCBBUUYPDXLYGH-UHFFFAOYSA-N 2 2 317.452 3.832 20 30 DHEDLP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000512654734 340371358 /nfs/dbraw/zinc/37/13/58/340371358.db2.gz OHXYNHPLUYHVHM-BZUAXINKSA-N 2 2 317.452 3.716 20 30 DHEDLP C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186330182 340511306 /nfs/dbraw/zinc/51/13/06/340511306.db2.gz YDGIYERKDCYRRG-YRNRMSPPSA-N 2 2 307.441 3.900 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(C3CCC3)s2)CC1 ZINC000133106371 341154872 /nfs/dbraw/zinc/15/48/72/341154872.db2.gz YCQRPHYGBXQZJW-UHFFFAOYSA-N 2 2 305.491 3.541 20 30 DHEDLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C#N)cc1 ZINC000075755734 341181998 /nfs/dbraw/zinc/18/19/98/341181998.db2.gz YCXQQYFSTUZGSJ-HNNXBMFYSA-N 2 2 302.381 3.595 20 30 DHEDLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC000154726353 521019057 /nfs/dbraw/zinc/01/90/57/521019057.db2.gz XHXCAYJNULSVNA-SFHVURJKSA-N 2 2 311.473 3.502 20 30 DHEDLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC000154726353 521019065 /nfs/dbraw/zinc/01/90/65/521019065.db2.gz XHXCAYJNULSVNA-SFHVURJKSA-N 2 2 311.473 3.502 20 30 DHEDLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1cccc(C#N)c1 ZINC000181586471 525347036 /nfs/dbraw/zinc/34/70/36/525347036.db2.gz SGMWIUVPXLSXBR-AWEZNQCLSA-N 2 2 304.397 3.718 20 30 DHEDLP C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120986208 1013655900 /nfs/dbraw/zinc/65/59/00/1013655900.db2.gz QSLQRBLFOWZNRB-CQSZACIVSA-N 2 2 320.371 3.734 20 30 DHEDLP C[C@]1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000248763105 1017327480 /nfs/dbraw/zinc/32/74/80/1017327480.db2.gz DWNRHJQJRSWHLD-HSALFYBXSA-N 2 2 311.473 3.713 20 30 DHEDLP C[C@]1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CCC[N@H+]1Cc1ccccc1 ZINC000248763105 1017327503 /nfs/dbraw/zinc/32/75/03/1017327503.db2.gz DWNRHJQJRSWHLD-HSALFYBXSA-N 2 2 311.473 3.713 20 30 DHEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000925178430 1018071025 /nfs/dbraw/zinc/07/10/25/1018071025.db2.gz JWTWMUONARIITA-DOTOQJQBSA-N 2 2 310.445 3.622 20 30 DHEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000657878169 1019730446 /nfs/dbraw/zinc/73/04/46/1019730446.db2.gz FLJDJDCUZPPGMY-AEFFLSMTSA-N 2 2 308.510 3.600 20 30 DHEDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000390569853 1020209987 /nfs/dbraw/zinc/20/99/87/1020209987.db2.gz BCCZSODZKWCXEA-LAUBAEHRSA-N 2 2 319.452 3.873 20 30 DHEDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000390569853 1020209993 /nfs/dbraw/zinc/20/99/93/1020209993.db2.gz BCCZSODZKWCXEA-LAUBAEHRSA-N 2 2 319.452 3.873 20 30 DHEDLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(C#N)cc1 ZINC000181471357 1021192774 /nfs/dbraw/zinc/19/27/74/1021192774.db2.gz QTPLTXPDYCJCDU-MRXNPFEDSA-N 2 2 316.408 3.654 20 30 DHEDLP N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000618741312 1021502017 /nfs/dbraw/zinc/50/20/17/1021502017.db2.gz DNWMPTASCAEFML-HXUWFJFHSA-N 2 2 314.392 3.521 20 30 DHEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000616770516 1022765203 /nfs/dbraw/zinc/76/52/03/1022765203.db2.gz LQHBCDQELKFDIO-MRXNPFEDSA-N 2 2 316.408 3.903 20 30 DHEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000270050168 1024345340 /nfs/dbraw/zinc/34/53/40/1024345340.db2.gz DXQLQELHTWVWJS-UWJYYQICSA-N 2 2 319.452 3.558 20 30 DHEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000270050168 1024345357 /nfs/dbraw/zinc/34/53/57/1024345357.db2.gz DXQLQELHTWVWJS-UWJYYQICSA-N 2 2 319.452 3.558 20 30 DHEDLP CC1(C#N)CCC([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000883387973 1024421882 /nfs/dbraw/zinc/42/18/82/1024421882.db2.gz JLJOPTZDIRECFN-XBMUEBEBSA-N 2 2 308.429 3.686 20 30 DHEDLP C[C@@H](CCCC#N)[NH2+][C@H](C[NH+](C)C)C12CC3CC(CC(C3)C1)C2 ZINC001172493165 1033225969 /nfs/dbraw/zinc/22/59/69/1033225969.db2.gz XWOXGENHKPKPJP-CYAQNONDSA-N 2 2 317.521 3.805 20 30 DHEDLP CC1(C)C([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000349181837 1024684931 /nfs/dbraw/zinc/68/49/31/1024684931.db2.gz FNTJGXFKNHFLIH-UHFFFAOYSA-N 2 2 311.473 3.547 20 30 DHEDLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)C1CC1 ZINC000248994601 1025890941 /nfs/dbraw/zinc/89/09/41/1025890941.db2.gz OMCPHBJOBDHXAG-MISYRCLQSA-N 2 2 311.473 3.569 20 30 DHEDLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)C1CC1 ZINC000248994601 1025890953 /nfs/dbraw/zinc/89/09/53/1025890953.db2.gz OMCPHBJOBDHXAG-MISYRCLQSA-N 2 2 311.473 3.569 20 30 DHEDLP C=CCC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CC1 ZINC000090667450 1026081671 /nfs/dbraw/zinc/08/16/71/1026081671.db2.gz UQMDSRFBMGHBNM-UZLBHIALSA-N 2 2 313.489 3.941 20 30 DHEDLP C#CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000809716991 1026603801 /nfs/dbraw/zinc/60/38/01/1026603801.db2.gz AYKAUJPNTINADL-UHFFFAOYSA-N 2 2 307.422 3.569 20 30 DHEDLP C#CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000809716991 1026603805 /nfs/dbraw/zinc/60/38/05/1026603805.db2.gz AYKAUJPNTINADL-UHFFFAOYSA-N 2 2 307.422 3.569 20 30 DHEDLP C=CCOc1cccc(C[NH+]2CCC([NH2+]C3CCCC3)CC2)c1 ZINC000362375546 1027169070 /nfs/dbraw/zinc/16/90/70/1027169070.db2.gz FYOGEEWWFTZEOC-UHFFFAOYSA-N 2 2 314.473 3.748 20 30 DHEDLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000423233624 1027469245 /nfs/dbraw/zinc/46/92/45/1027469245.db2.gz DVUULKSVAMXCPC-SFTDATJTSA-N 2 2 319.452 3.959 20 30 DHEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423247886 1027475916 /nfs/dbraw/zinc/47/59/16/1027475916.db2.gz LYDJDVZXGWARDX-VQTJNVASSA-N 2 2 305.425 3.615 20 30 DHEDLP N#CCC[C@H](C#N)C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000578493435 1028167618 /nfs/dbraw/zinc/16/76/18/1028167618.db2.gz ADSNZCYNSYMNKB-GOSISDBHSA-N 2 2 324.472 3.596 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3ccccc3cc2OC)CC1 ZINC000449121960 1028377073 /nfs/dbraw/zinc/37/70/73/1028377073.db2.gz JPNBXZLMPZVELG-UHFFFAOYSA-N 2 2 324.468 3.979 20 30 DHEDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000369032903 1028436873 /nfs/dbraw/zinc/43/68/73/1028436873.db2.gz SZEKWWYKXLDWCI-GOSISDBHSA-N 2 2 308.429 3.715 20 30 DHEDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000369032903 1028436876 /nfs/dbraw/zinc/43/68/76/1028436876.db2.gz SZEKWWYKXLDWCI-GOSISDBHSA-N 2 2 308.429 3.715 20 30 DHEDLP CC[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc(C#N)c1O ZINC000924606606 1030139017 /nfs/dbraw/zinc/13/90/17/1030139017.db2.gz LXNZFARWIAKABJ-LJQANCHMSA-N 2 2 323.440 3.566 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CCc2cncc3ccccc32)CC1 ZINC000866260951 1030184561 /nfs/dbraw/zinc/18/45/61/1030184561.db2.gz KYHLNPGQBGNEOW-KRWDZBQOSA-N 2 2 323.484 3.796 20 30 DHEDLP C[NH+]1CCC([N@H+](C2CCCC2)C2CCC(CC#N)CC2)CC1 ZINC001173339467 1033694527 /nfs/dbraw/zinc/69/45/27/1033694527.db2.gz IFATUPAPKWWEJF-UHFFFAOYSA-N 2 2 303.494 3.798 20 30 DHEDLP C[NH+]1CCC([N@@H+](C2CCCC2)C2CCC(CC#N)CC2)CC1 ZINC001173339467 1033694534 /nfs/dbraw/zinc/69/45/34/1033694534.db2.gz IFATUPAPKWWEJF-UHFFFAOYSA-N 2 2 303.494 3.798 20 30 DHEDLP C#CCC[NH2+][C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001176641216 1035304835 /nfs/dbraw/zinc/30/48/35/1035304835.db2.gz QQFJZVGVZWWQQA-FCHUYYIVSA-N 2 2 318.464 3.658 20 30 DHEDLP C#CCC[NH2+][C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001176641216 1035304837 /nfs/dbraw/zinc/30/48/37/1035304837.db2.gz QQFJZVGVZWWQQA-FCHUYYIVSA-N 2 2 318.464 3.658 20 30 DHEDLP C#CCCCCCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001193336617 1035608887 /nfs/dbraw/zinc/60/88/87/1035608887.db2.gz WRNPDUYRBMIWFL-UHFFFAOYSA-N 2 2 301.478 3.959 20 30 DHEDLP C=CCOc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000539818366 1035876881 /nfs/dbraw/zinc/87/68/81/1035876881.db2.gz XHBDHSMJUYBTPD-SJLPKXTDSA-N 2 2 302.462 3.556 20 30 DHEDLP C=CCOc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000539818366 1035876903 /nfs/dbraw/zinc/87/69/03/1035876903.db2.gz XHBDHSMJUYBTPD-SJLPKXTDSA-N 2 2 302.462 3.556 20 30 DHEDLP C=CCOc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000539818366 1035876924 /nfs/dbraw/zinc/87/69/24/1035876924.db2.gz XHBDHSMJUYBTPD-SJLPKXTDSA-N 2 2 302.462 3.556 20 30 DHEDLP C=CCOc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000539818366 1035876947 /nfs/dbraw/zinc/87/69/47/1035876947.db2.gz XHBDHSMJUYBTPD-SJLPKXTDSA-N 2 2 302.462 3.556 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](CCc2ccccc2)C(C)C)CC1 ZINC000177911732 1037283953 /nfs/dbraw/zinc/28/39/53/1037283953.db2.gz NZACWLPPIUISAJ-FQEVSTJZSA-N 2 2 300.490 3.884 20 30 DHEDLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)Cc1ccccc1 ZINC000185775003 1037839177 /nfs/dbraw/zinc/83/91/77/1037839177.db2.gz SVDPXWZBYUOBTR-ZCNNSNEGSA-N 2 2 313.489 3.611 20 30 DHEDLP N#CC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCCC1 ZINC000594981941 1039997704 /nfs/dbraw/zinc/99/77/04/1039997704.db2.gz VVVUKIWWTPTPTP-UHFFFAOYSA-N 2 2 303.494 3.847 20 30 DHEDLP N#CC1(c2ccc(C[NH+]3CCC([NH+]4CCCCC4)CC3)cc2)CC1 ZINC000596983233 1040618706 /nfs/dbraw/zinc/61/87/06/1040618706.db2.gz RGNOOVVIVJBGOT-UHFFFAOYSA-N 2 2 323.484 3.692 20 30 DHEDLP C=CCC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CC1 ZINC000090667449 334949631 /nfs/dbraw/zinc/94/96/31/334949631.db2.gz UQMDSRFBMGHBNM-JXFKEZNVSA-N 2 2 313.489 3.941 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2cc(C)ccc2OC)CC1 ZINC000093405879 335000585 /nfs/dbraw/zinc/00/05/85/335000585.db2.gz JPDFVHDYOTUXRA-SFHVURJKSA-N 2 2 302.462 3.695 20 30 DHEDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)o2)CC[N@@H+]1Cc1ccccc1 ZINC000093318218 193231186 /nfs/dbraw/zinc/23/11/86/193231186.db2.gz JMTCHUCOKNZGAQ-WMZOPIPTSA-N 2 2 323.440 3.636 20 30 DHEDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC000093318218 193231188 /nfs/dbraw/zinc/23/11/88/193231188.db2.gz JMTCHUCOKNZGAQ-WMZOPIPTSA-N 2 2 323.440 3.636 20 30 DHEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)o2)CC[NH+]1Cc1ccccc1 ZINC000093318218 193231190 /nfs/dbraw/zinc/23/11/90/193231190.db2.gz JMTCHUCOKNZGAQ-WMZOPIPTSA-N 2 2 323.440 3.636 20 30 DHEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)o2)CC[NH+]1Cc1ccccc1 ZINC000093318218 193231192 /nfs/dbraw/zinc/23/11/92/193231192.db2.gz JMTCHUCOKNZGAQ-WMZOPIPTSA-N 2 2 323.440 3.636 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000289177435 335060575 /nfs/dbraw/zinc/06/05/75/335060575.db2.gz IAHJXMSXRNWRHG-IBGZPJMESA-N 2 2 309.457 3.785 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2nccc3ccccc32)CC1 ZINC000289585859 335064747 /nfs/dbraw/zinc/06/47/47/335064747.db2.gz FCRSANNPUYBHDF-MRXNPFEDSA-N 2 2 309.457 3.926 20 30 DHEDLP C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285559285 131181791 /nfs/dbraw/zinc/18/17/91/131181791.db2.gz HDIOKGGAEXIZFI-INIZCTEOSA-N 2 2 311.429 3.666 20 30 DHEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285559285 131181792 /nfs/dbraw/zinc/18/17/92/131181792.db2.gz HDIOKGGAEXIZFI-INIZCTEOSA-N 2 2 311.429 3.666 20 30 DHEDLP C[C@@H](c1cccc(C#N)c1)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285559285 131181794 /nfs/dbraw/zinc/18/17/94/131181794.db2.gz HDIOKGGAEXIZFI-INIZCTEOSA-N 2 2 311.429 3.666 20 30 DHEDLP C[C@@H](c1cccc(C#N)c1)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285559285 131181795 /nfs/dbraw/zinc/18/17/95/131181795.db2.gz HDIOKGGAEXIZFI-INIZCTEOSA-N 2 2 311.429 3.666 20 30 DHEDLP C=CC[NH+](CC=C)[C@H](CNc1cc[nH+]c(C(C)C)n1)C(C)C ZINC000521239356 434876721 /nfs/dbraw/zinc/87/67/21/434876721.db2.gz IMOBSEMPLADULU-MRXNPFEDSA-N 2 2 302.466 3.711 20 30 DHEDLP C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000582085799 333206160 /nfs/dbraw/zinc/20/61/60/333206160.db2.gz WRCYLUHRWFNERL-MRXNPFEDSA-N 2 2 316.408 3.789 20 30 DHEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000294056408 334205132 /nfs/dbraw/zinc/20/51/32/334205132.db2.gz JSFLNODUBFKCGT-DOTOQJQBSA-N 2 2 308.429 3.674 20 30 DHEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[N@H+](Cc2ccccc2)C1 ZINC000294979741 334215334 /nfs/dbraw/zinc/21/53/34/334215334.db2.gz GKZLWCBYFVCLAJ-UMGGQSCQSA-N 2 2 311.473 3.569 20 30 DHEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000294979741 334215335 /nfs/dbraw/zinc/21/53/35/334215335.db2.gz GKZLWCBYFVCLAJ-UMGGQSCQSA-N 2 2 311.473 3.569 20 30 DHEDLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000344030311 335210493 /nfs/dbraw/zinc/21/04/93/335210493.db2.gz DTBBHVUNKAZWKJ-INIZCTEOSA-N 2 2 316.408 3.654 20 30 DHEDLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000344030312 335210515 /nfs/dbraw/zinc/21/05/15/335210515.db2.gz DTBBHVUNKAZWKJ-MRXNPFEDSA-N 2 2 316.408 3.654 20 30 DHEDLP C[C@H]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000366868979 335254559 /nfs/dbraw/zinc/25/45/59/335254559.db2.gz OZXUDRWGDWPBLB-LPHOPBHVSA-N 2 2 311.473 3.548 20 30 DHEDLP C=CC[N@H+](Cc1cccs1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346139806 335380325 /nfs/dbraw/zinc/38/03/25/335380325.db2.gz KWUYPDALSAKWMC-UHFFFAOYSA-N 2 2 324.453 3.825 20 30 DHEDLP C=CC[N@@H+](Cc1cccs1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346139806 335380326 /nfs/dbraw/zinc/38/03/26/335380326.db2.gz KWUYPDALSAKWMC-UHFFFAOYSA-N 2 2 324.453 3.825 20 30 DHEDLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)CC1 ZINC000352796550 336237556 /nfs/dbraw/zinc/23/75/56/336237556.db2.gz GPHIFXWHUOJAEG-HXUWFJFHSA-N 2 2 311.473 3.502 20 30 DHEDLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)CC1 ZINC000352796550 336237557 /nfs/dbraw/zinc/23/75/57/336237557.db2.gz GPHIFXWHUOJAEG-HXUWFJFHSA-N 2 2 311.473 3.502 20 30 DHEDLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(C#N)cc1F ZINC000358596013 336636207 /nfs/dbraw/zinc/63/62/07/336636207.db2.gz WAIJFELFHXUOBZ-AWEZNQCLSA-N 2 2 312.392 3.635 20 30 DHEDLP C=CCC[C@H](CCC)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377254591 337049568 /nfs/dbraw/zinc/04/95/68/337049568.db2.gz GDCFYIUSBWWJPX-FHWLQOOXSA-N 2 2 301.478 3.799 20 30 DHEDLP C=CCC[C@H](CCC)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377254591 337049569 /nfs/dbraw/zinc/04/95/69/337049569.db2.gz GDCFYIUSBWWJPX-FHWLQOOXSA-N 2 2 301.478 3.799 20 30 DHEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000377713378 337059411 /nfs/dbraw/zinc/05/94/11/337059411.db2.gz WHFGDZZGJUKIPP-SFHVURJKSA-N 2 2 308.429 3.543 20 30 DHEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC000377713378 337059412 /nfs/dbraw/zinc/05/94/12/337059412.db2.gz WHFGDZZGJUKIPP-SFHVURJKSA-N 2 2 308.429 3.543 20 30 DHEDLP C#CCC[NH+]1CCC(c2[nH]cc(-c3ccc(F)c(F)c3)[nH+]2)CC1 ZINC000378322635 337069829 /nfs/dbraw/zinc/06/98/29/337069829.db2.gz GGCQZGJIGBHYDP-UHFFFAOYSA-N 2 2 315.367 3.558 20 30 DHEDLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccccc2C#N)cc1 ZINC000179095412 337167149 /nfs/dbraw/zinc/16/71/49/337167149.db2.gz QCQWMZQRNIMUTG-OAHLLOKOSA-N 2 2 316.408 3.903 20 30 DHEDLP C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000192172477 337303623 /nfs/dbraw/zinc/30/36/23/337303623.db2.gz JLIJYZOHWKVQGC-CQSZACIVSA-N 2 2 320.371 3.734 20 30 DHEDLP CC1CC[NH+]([C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)c2cccs2)CC1 ZINC000442633747 338426343 /nfs/dbraw/zinc/42/63/43/338426343.db2.gz KYKWDKROFLFNED-GVDBMIGSSA-N 2 2 317.502 3.803 20 30 DHEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]C1CCC(C)(C#N)CC1)C(C)C ZINC000449075567 338591105 /nfs/dbraw/zinc/59/11/05/338591105.db2.gz NLAWALQVPVRERQ-JLAWEPINSA-N 2 2 303.494 3.747 20 30 DHEDLP CC(C)C[C@@H]1C[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000459654576 339040809 /nfs/dbraw/zinc/04/08/09/339040809.db2.gz GMYAHDZVCXEABT-UYAOXDASSA-N 2 2 311.473 3.547 20 30 DHEDLP C=CCC[C@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475333137 339447125 /nfs/dbraw/zinc/44/71/25/339447125.db2.gz HOCQQRGKCXUAAZ-GRTSSRMGSA-N 2 2 304.400 3.736 20 30 DHEDLP C=CCOc1ccccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000506325001 340192261 /nfs/dbraw/zinc/19/22/61/340192261.db2.gz ITKHXMWHZAIRON-UHFFFAOYSA-N 2 2 314.473 3.702 20 30 DHEDLP C=CCOc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000506355438 340193290 /nfs/dbraw/zinc/19/32/90/340193290.db2.gz ILRRQNVXVPAETB-UHFFFAOYSA-N 2 2 314.473 3.702 20 30 DHEDLP C=CC[NH+]1CCC([NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000510719845 340307980 /nfs/dbraw/zinc/30/79/80/340307980.db2.gz RDUPKFMIUXCHDI-UHFFFAOYSA-N 2 2 304.865 3.826 20 30 DHEDLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(C#N)cc1F ZINC000512654145 340371364 /nfs/dbraw/zinc/37/13/64/340371364.db2.gz JNECDCPEEADVDL-ZDUSSCGKSA-N 2 2 303.425 3.611 20 30 DHEDLP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1cccc(C#N)c1)c1ccccc1 ZINC000074372353 341144834 /nfs/dbraw/zinc/14/48/34/341144834.db2.gz WRNYYEGDSFXJDK-MRXNPFEDSA-N 2 2 307.441 3.777 20 30 DHEDLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC000247111337 341361043 /nfs/dbraw/zinc/36/10/43/341361043.db2.gz YATBHQZXYCFAQM-XLIONFOSSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(C#N)cc2)C1 ZINC000247111337 341361044 /nfs/dbraw/zinc/36/10/44/341361044.db2.gz YATBHQZXYCFAQM-XLIONFOSSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000247111337 341361045 /nfs/dbraw/zinc/36/10/45/341361045.db2.gz YATBHQZXYCFAQM-XLIONFOSSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000247111337 341361046 /nfs/dbraw/zinc/36/10/46/341361046.db2.gz YATBHQZXYCFAQM-XLIONFOSSA-N 2 2 311.473 3.645 20 30 DHEDLP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181400146 524573735 /nfs/dbraw/zinc/57/37/35/524573735.db2.gz GYSCMFKZTVPOSM-UHFFFAOYSA-N 2 2 319.452 3.621 20 30 DHEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181406965 527166577 /nfs/dbraw/zinc/16/65/77/527166577.db2.gz RBXSIKMEPHNPNW-OAHLLOKOSA-N 2 2 318.424 3.957 20 30 DHEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181406946 527168171 /nfs/dbraw/zinc/16/81/71/527168171.db2.gz RBXSIKMEPHNPNW-HNNXBMFYSA-N 2 2 318.424 3.957 20 30 DHEDLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCCC1)c1ccccc1 ZINC000442786887 1014731187 /nfs/dbraw/zinc/73/11/87/1014731187.db2.gz WGRLSEFGNXBBGI-YQVWRLOYSA-N 2 2 311.473 3.932 20 30 DHEDLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCCC1)c1ccccc1 ZINC000442786871 1014732213 /nfs/dbraw/zinc/73/22/13/1014732213.db2.gz WGRLSEFGNXBBGI-JENIJYKNSA-N 2 2 311.473 3.932 20 30 DHEDLP C[C@H]1CC([NH2+]Cc2cc(C#N)co2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168037265 1015464020 /nfs/dbraw/zinc/46/40/20/1015464020.db2.gz ZIVSBYCETMXBJL-HOTGVXAUSA-N 2 2 323.440 3.682 20 30 DHEDLP C=C(C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000346772941 1016547712 /nfs/dbraw/zinc/54/77/12/1016547712.db2.gz BTSDZDBCUMEEOF-WIYYLYMNSA-N 2 2 321.468 3.595 20 30 DHEDLP C=C(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000346772941 1016547700 /nfs/dbraw/zinc/54/77/00/1016547700.db2.gz BTSDZDBCUMEEOF-WIYYLYMNSA-N 2 2 321.468 3.595 20 30 DHEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000925178439 1018070558 /nfs/dbraw/zinc/07/05/58/1018070558.db2.gz JWTWMUONARIITA-NVXWUHKLSA-N 2 2 310.445 3.622 20 30 DHEDLP C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000178792330 1018079664 /nfs/dbraw/zinc/07/96/64/1018079664.db2.gz IGJSKYXJESKLIN-AWEZNQCLSA-N 2 2 320.371 3.734 20 30 DHEDLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(C#N)cc1Cl ZINC000583602169 1018587668 /nfs/dbraw/zinc/58/76/68/1018587668.db2.gz WSXOKNDGDZYEOH-ZDUSSCGKSA-N 2 2 302.809 3.539 20 30 DHEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)o1 ZINC000289840680 1019277425 /nfs/dbraw/zinc/27/74/25/1019277425.db2.gz OXTXGQNFCPIWHP-GOSISDBHSA-N 2 2 323.440 3.543 20 30 DHEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000289840680 1019277454 /nfs/dbraw/zinc/27/74/54/1019277454.db2.gz OXTXGQNFCPIWHP-GOSISDBHSA-N 2 2 323.440 3.543 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccnn2-c2ccccc2)CC1 ZINC000281161993 1019769110 /nfs/dbraw/zinc/76/91/10/1019769110.db2.gz HFOLJSLEMVHTRD-KRWDZBQOSA-N 2 2 324.472 3.563 20 30 DHEDLP Cc1cc(C#N)cc(C)c1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000921666990 1020335264 /nfs/dbraw/zinc/33/52/64/1020335264.db2.gz JTQNZBUZANWVQO-UHFFFAOYSA-N 2 2 308.429 3.552 20 30 DHEDLP C[C@@]1(C#N)CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172091051 1032985663 /nfs/dbraw/zinc/98/56/63/1032985663.db2.gz ZZSRRCRWVLAANB-BQJUDKOJSA-N 2 2 323.484 3.808 20 30 DHEDLP C[C@@]1(C#N)CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172091051 1032985681 /nfs/dbraw/zinc/98/56/81/1032985681.db2.gz ZZSRRCRWVLAANB-BQJUDKOJSA-N 2 2 323.484 3.808 20 30 DHEDLP C[C@@]1(C#N)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172091051 1032985698 /nfs/dbraw/zinc/98/56/98/1032985698.db2.gz ZZSRRCRWVLAANB-BQJUDKOJSA-N 2 2 323.484 3.808 20 30 DHEDLP C[C@@]1(C#N)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172091051 1032985710 /nfs/dbraw/zinc/98/57/10/1032985710.db2.gz ZZSRRCRWVLAANB-BQJUDKOJSA-N 2 2 323.484 3.808 20 30 DHEDLP C(#Cc1ccccc1)C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000892738156 1021588911 /nfs/dbraw/zinc/58/89/11/1021588911.db2.gz SIHAZLDNKVOIKL-IBGZPJMESA-N 2 2 324.493 3.601 20 30 DHEDLP C(#Cc1ccccc1)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000892738156 1021588921 /nfs/dbraw/zinc/58/89/21/1021588921.db2.gz SIHAZLDNKVOIKL-IBGZPJMESA-N 2 2 324.493 3.601 20 30 DHEDLP CC[C@H](CC#N)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172068104 1032996943 /nfs/dbraw/zinc/99/69/43/1032996943.db2.gz SUCLHWDZLDZFMD-YSTOQKLRSA-N 2 2 311.473 3.854 20 30 DHEDLP CC[C@H](CC#N)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068104 1032996954 /nfs/dbraw/zinc/99/69/54/1032996954.db2.gz SUCLHWDZLDZFMD-YSTOQKLRSA-N 2 2 311.473 3.854 20 30 DHEDLP Oc1ccccc1/C=[NH+]\CC1CC[NH+](Cc2ccccc2)CC1 ZINC000920386595 1022114796 /nfs/dbraw/zinc/11/47/96/1022114796.db2.gz CXNFGAKGIGRPLC-QNGOZBTKSA-N 2 2 308.425 3.723 20 30 DHEDLP C#CCOc1ccc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000162859729 1023976499 /nfs/dbraw/zinc/97/64/99/1023976499.db2.gz XSGXUDFCIJFWGP-KRWDZBQOSA-N 2 2 323.440 3.637 20 30 DHEDLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000423498343 1027565274 /nfs/dbraw/zinc/56/52/74/1027565274.db2.gz IAOVDSTZADZNFW-UXHICEINSA-N 2 2 307.441 3.861 20 30 DHEDLP CC[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc(C#N)c1O ZINC000924606605 1030136535 /nfs/dbraw/zinc/13/65/35/1030136535.db2.gz LXNZFARWIAKABJ-IBGZPJMESA-N 2 2 323.440 3.566 20 30 DHEDLP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cccc(C#N)c1O ZINC000866231953 1030167963 /nfs/dbraw/zinc/16/79/63/1030167963.db2.gz AVCYQSWRRSVZOK-HZPDHXFCSA-N 2 2 315.461 3.569 20 30 DHEDLP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cccc(C#N)c1O ZINC000866231953 1030167969 /nfs/dbraw/zinc/16/79/69/1030167969.db2.gz AVCYQSWRRSVZOK-HZPDHXFCSA-N 2 2 315.461 3.569 20 30 DHEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000925591481 1030414091 /nfs/dbraw/zinc/41/40/91/1030414091.db2.gz PTCSCILAJHDWPX-HOTGVXAUSA-N 2 2 314.477 3.525 20 30 DHEDLP N#CC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000926627414 1030827976 /nfs/dbraw/zinc/82/79/76/1030827976.db2.gz OOHWZTKLZIGRJN-IHWFROFDSA-N 2 2 323.484 3.856 20 30 DHEDLP N#CC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000926627414 1030827994 /nfs/dbraw/zinc/82/79/94/1030827994.db2.gz OOHWZTKLZIGRJN-IHWFROFDSA-N 2 2 323.484 3.856 20 30 DHEDLP C=CCC[C@@H](C)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000926958565 1031017218 /nfs/dbraw/zinc/01/72/18/1031017218.db2.gz ORUGBLGOOKBXQE-GOSISDBHSA-N 2 2 316.489 3.612 20 30 DHEDLP C=CCC[C@@H](C)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000926958565 1031017233 /nfs/dbraw/zinc/01/72/33/1031017233.db2.gz ORUGBLGOOKBXQE-GOSISDBHSA-N 2 2 316.489 3.612 20 30 DHEDLP C#C[C@H](C)[N@H+](C)C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001193919561 1035772271 /nfs/dbraw/zinc/77/22/71/1035772271.db2.gz BFQHRIBLRXHPJX-SIKLNZKXSA-N 2 2 320.480 3.856 20 30 DHEDLP C#C[C@H](C)[N@@H+](C)C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001193919561 1035772283 /nfs/dbraw/zinc/77/22/83/1035772283.db2.gz BFQHRIBLRXHPJX-SIKLNZKXSA-N 2 2 320.480 3.856 20 30 DHEDLP C#C[C@H](C)[NH+](C)C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001193919561 1035772297 /nfs/dbraw/zinc/77/22/97/1035772297.db2.gz BFQHRIBLRXHPJX-SIKLNZKXSA-N 2 2 320.480 3.856 20 30 DHEDLP C#C[C@H](C)[NH+](C)C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001193919561 1035772310 /nfs/dbraw/zinc/77/23/10/1035772310.db2.gz BFQHRIBLRXHPJX-SIKLNZKXSA-N 2 2 320.480 3.856 20 30 DHEDLP C=CCOc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000539818367 1035873804 /nfs/dbraw/zinc/87/38/04/1035873804.db2.gz XHBDHSMJUYBTPD-WMZOPIPTSA-N 2 2 302.462 3.556 20 30 DHEDLP C=CCOc1ccccc1C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000539818367 1035873827 /nfs/dbraw/zinc/87/38/27/1035873827.db2.gz XHBDHSMJUYBTPD-WMZOPIPTSA-N 2 2 302.462 3.556 20 30 DHEDLP C=CCOc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000539818367 1035873844 /nfs/dbraw/zinc/87/38/44/1035873844.db2.gz XHBDHSMJUYBTPD-WMZOPIPTSA-N 2 2 302.462 3.556 20 30 DHEDLP C=CCOc1ccccc1C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000539818367 1035873864 /nfs/dbraw/zinc/87/38/64/1035873864.db2.gz XHBDHSMJUYBTPD-WMZOPIPTSA-N 2 2 302.462 3.556 20 30 DHEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCC[C@@H](OC)CC1)C(C)C ZINC001199197762 1037215031 /nfs/dbraw/zinc/21/50/31/1037215031.db2.gz JDWPMLICACXDMR-GUDVDZBRSA-N 2 2 308.510 3.622 20 30 DHEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000775376470 1038301817 /nfs/dbraw/zinc/30/18/17/1038301817.db2.gz QUWYYWPXXXLYNO-OALUTQOASA-N 2 2 322.456 3.837 20 30 DHEDLP Cc1ccccc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593688868 1039070201 /nfs/dbraw/zinc/07/02/01/1039070201.db2.gz WCSMKBAXQFYNCV-UHFFFAOYSA-N 2 2 319.452 3.621 20 30 DHEDLP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000596649830 1040539951 /nfs/dbraw/zinc/53/99/51/1040539951.db2.gz MJTYGBNRXTWKSU-NJDAHSKKSA-N 2 2 319.452 3.745 20 30 DHEDLP CC[N@H+](C[C@H](C)CCC#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000602478798 1041048784 /nfs/dbraw/zinc/04/87/84/1041048784.db2.gz UZQQPNJFCWAFFX-QGZVFWFLSA-N 2 2 314.477 3.560 20 30 DHEDLP CC[N@@H+](C[C@H](C)CCC#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000602478798 1041048794 /nfs/dbraw/zinc/04/87/94/1041048794.db2.gz UZQQPNJFCWAFFX-QGZVFWFLSA-N 2 2 314.477 3.560 20 30 DHEDLP C=CCCCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000557385147 331787419 /nfs/dbraw/zinc/78/74/19/331787419.db2.gz YXMHMUFGRJUEFU-QGZVFWFLSA-N 2 2 301.478 3.771 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(C)ccc2OC)CC1 ZINC000152987336 332332167 /nfs/dbraw/zinc/33/21/67/332332167.db2.gz ZTCTXAWUHQABQB-MRXNPFEDSA-N 2 2 302.462 3.695 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2sc(CC)nc2C)CC1 ZINC000152940950 332333668 /nfs/dbraw/zinc/33/36/68/332333668.db2.gz WIISEDFKJKTUCT-ZDUSSCGKSA-N 2 2 307.507 3.705 20 30 DHEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(C)cc3)o2)CC1 ZINC000237717566 332386095 /nfs/dbraw/zinc/38/60/95/332386095.db2.gz BNSMPFXZKBQDJO-UHFFFAOYSA-N 2 2 310.441 3.995 20 30 DHEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCCC12CCOCC2)C(C)C ZINC000502255714 333287524 /nfs/dbraw/zinc/28/75/24/333287524.db2.gz NKEJFICTJODAED-RTBURBONSA-N 2 2 320.521 3.624 20 30 DHEDLP N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161343396 333373497 /nfs/dbraw/zinc/37/34/97/333373497.db2.gz OEQQSYRXCVVTEG-UXHICEINSA-N 2 2 311.473 3.634 20 30 DHEDLP N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161343396 333373498 /nfs/dbraw/zinc/37/34/98/333373498.db2.gz OEQQSYRXCVVTEG-UXHICEINSA-N 2 2 311.473 3.634 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2csc(C(C)C)n2)CC1 ZINC000186326272 335157180 /nfs/dbraw/zinc/15/71/80/335157180.db2.gz QGKAUFQXRVQGSQ-AWEZNQCLSA-N 2 2 307.507 3.958 20 30 DHEDLP N#C[C@H]1CCC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000295932130 334228548 /nfs/dbraw/zinc/22/85/48/334228548.db2.gz FSWMINYXUGCESI-UONOGXRCSA-N 2 2 314.820 3.698 20 30 DHEDLP C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000346364766 335406137 /nfs/dbraw/zinc/40/61/37/335406137.db2.gz ZFPBTFSEEAPQOJ-ZDUSSCGKSA-N 2 2 308.410 3.656 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000177904470 337158813 /nfs/dbraw/zinc/15/88/13/337158813.db2.gz CPPPXGDVPZHIAG-INIZCTEOSA-N 2 2 306.450 3.603 20 30 DHEDLP C=CCCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182182428 337187201 /nfs/dbraw/zinc/18/72/01/337187201.db2.gz PHDMAWJPKVESND-KRWDZBQOSA-N 2 2 311.473 3.857 20 30 DHEDLP CC1(C#N)CCC([NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000449064345 338589658 /nfs/dbraw/zinc/58/96/58/338589658.db2.gz PQIXQVSBKNNSQO-PQUAAJSLSA-N 2 2 317.502 3.947 20 30 DHEDLP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512654736 340371338 /nfs/dbraw/zinc/37/13/38/340371338.db2.gz OHXYNHPLUYHVHM-OWCLPIDISA-N 2 2 317.452 3.716 20 30 DHEDLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512654736 340371339 /nfs/dbraw/zinc/37/13/39/340371339.db2.gz OHXYNHPLUYHVHM-OWCLPIDISA-N 2 2 317.452 3.716 20 30 DHEDLP C=CC[NH+]1CCC(Nc2[nH+]cccc2OCc2ccccc2)CC1 ZINC000545475132 341126710 /nfs/dbraw/zinc/12/67/10/341126710.db2.gz VWVJPTTXANMFBY-UHFFFAOYSA-N 2 2 323.440 3.723 20 30 DHEDLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2C#N)CC1 ZINC000187118952 519843976 /nfs/dbraw/zinc/84/39/76/519843976.db2.gz QUPLFAZXYMDNGG-UHFFFAOYSA-N 2 2 305.853 3.518 20 30 DHEDLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2C#N)CC1 ZINC000187118952 519843979 /nfs/dbraw/zinc/84/39/79/519843979.db2.gz QUPLFAZXYMDNGG-UHFFFAOYSA-N 2 2 305.853 3.518 20 30 DHEDLP C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181942985 524422210 /nfs/dbraw/zinc/42/22/10/524422210.db2.gz OSEGHGYRVKLDCY-UWUNEBHHSA-N 2 2 311.473 3.691 20 30 DHEDLP Cc1cc(C)c(NC(=O)NCC(C)(C)[NH+]2CCCCC2)c(C)[nH+]1 ZINC000331320314 1013872300 /nfs/dbraw/zinc/87/23/00/1013872300.db2.gz KOSPTWGRNGUTCH-UHFFFAOYSA-N 2 2 318.465 3.597 20 30 DHEDLP Cc1cc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)ccc1C#N ZINC000895113482 1014444971 /nfs/dbraw/zinc/44/49/71/1014444971.db2.gz WUMQJOGVGCSIIX-WGSAOQKQSA-N 2 2 320.440 3.538 20 30 DHEDLP C=CCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1ccco1 ZINC000276490483 1015211378 /nfs/dbraw/zinc/21/13/78/1015211378.db2.gz UWEIBRZOKPBNPX-KRWDZBQOSA-N 2 2 322.412 3.966 20 30 DHEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000171546626 1016578364 /nfs/dbraw/zinc/57/83/64/1016578364.db2.gz VZUAFBJYPHEABA-UHFFFAOYSA-N 2 2 314.404 3.826 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3cc(OC)ccc3o2)CC1 ZINC000125164754 1032693064 /nfs/dbraw/zinc/69/30/64/1032693064.db2.gz RSUBOAVUQHLVEG-UHFFFAOYSA-N 2 2 314.429 3.572 20 30 DHEDLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc(C#N)cs2)C1 ZINC000245572356 1018229724 /nfs/dbraw/zinc/22/97/24/1018229724.db2.gz YEPKJMVPFGCBGW-HOTGVXAUSA-N 2 2 317.502 3.706 20 30 DHEDLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc(C#N)cs2)C1 ZINC000245572356 1018229733 /nfs/dbraw/zinc/22/97/33/1018229733.db2.gz YEPKJMVPFGCBGW-HOTGVXAUSA-N 2 2 317.502 3.706 20 30 DHEDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000245572356 1018229746 /nfs/dbraw/zinc/22/97/46/1018229746.db2.gz YEPKJMVPFGCBGW-HOTGVXAUSA-N 2 2 317.502 3.706 20 30 DHEDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000245572356 1018229753 /nfs/dbraw/zinc/22/97/53/1018229753.db2.gz YEPKJMVPFGCBGW-HOTGVXAUSA-N 2 2 317.502 3.706 20 30 DHEDLP C[C@@H]1C[C@H]([NH2+]CC2(C#N)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000405150682 1018732183 /nfs/dbraw/zinc/73/21/83/1018732183.db2.gz OKFYUTBAARMCSP-IEBWSBKVSA-N 2 2 311.473 3.713 20 30 DHEDLP C[C@@H]1C[C@H]([NH2+]CC2(C#N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000405150682 1018732188 /nfs/dbraw/zinc/73/21/88/1018732188.db2.gz OKFYUTBAARMCSP-IEBWSBKVSA-N 2 2 311.473 3.713 20 30 DHEDLP N#Cc1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cs1 ZINC000921811126 1018892332 /nfs/dbraw/zinc/89/23/32/1018892332.db2.gz YXKFXUQHJWUCEG-UHFFFAOYSA-N 2 2 303.475 3.506 20 30 DHEDLP C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000282201212 1019616974 /nfs/dbraw/zinc/61/69/74/1019616974.db2.gz GUFGNGOAUGNPMA-KLAILNCOSA-N 2 2 308.429 3.853 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C)ccc2OC(F)F)CC1 ZINC000176232222 1019947648 /nfs/dbraw/zinc/94/76/48/1019947648.db2.gz IXAJHZVWUBQOTE-UHFFFAOYSA-N 2 2 324.415 3.727 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000177910546 1020595094 /nfs/dbraw/zinc/59/50/94/1020595094.db2.gz CSKDFERTEPAKBX-MRXNPFEDSA-N 2 2 306.450 3.603 20 30 DHEDLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(C#N)c1 ZINC000181479835 1021200287 /nfs/dbraw/zinc/20/02/87/1021200287.db2.gz JEOZPIWBMQSRFR-INIZCTEOSA-N 2 2 316.408 3.654 20 30 DHEDLP C=C(Br)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379647897 1021662425 /nfs/dbraw/zinc/66/24/25/1021662425.db2.gz LGXQGGQCCBZKID-GOEBONIOSA-N 2 2 323.278 3.538 20 30 DHEDLP C=C(Br)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379647897 1021662435 /nfs/dbraw/zinc/66/24/35/1021662435.db2.gz LGXQGGQCCBZKID-GOEBONIOSA-N 2 2 323.278 3.538 20 30 DHEDLP C[C@@H](Cc1ccc(C#N)cc1)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001172305449 1033075126 /nfs/dbraw/zinc/07/51/26/1033075126.db2.gz SLSDXHXZTFTYPW-HNNXBMFYSA-N 2 2 316.408 3.684 20 30 DHEDLP CCCCCCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001172350012 1033134746 /nfs/dbraw/zinc/13/47/46/1033134746.db2.gz IGTNMTDQWLLZGP-ROUUACIJSA-N 2 2 310.526 3.968 20 30 DHEDLP CCCCCCC[C@H](CC)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001172350012 1033134756 /nfs/dbraw/zinc/13/47/56/1033134756.db2.gz IGTNMTDQWLLZGP-ROUUACIJSA-N 2 2 310.526 3.968 20 30 DHEDLP C=CCCCCC[N@@H+]1CCC[C@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001279272010 1024797875 /nfs/dbraw/zinc/79/78/75/1024797875.db2.gz KTFNAPKZWAPIDS-HXUWFJFHSA-N 2 2 320.521 3.842 20 30 DHEDLP C=CCCCCC[N@H+]1CCC[C@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001279272010 1024797883 /nfs/dbraw/zinc/79/78/83/1024797883.db2.gz KTFNAPKZWAPIDS-HXUWFJFHSA-N 2 2 320.521 3.842 20 30 DHEDLP C=CCCCCC[NH+]1CCC[C@@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001279272010 1024797892 /nfs/dbraw/zinc/79/78/92/1024797892.db2.gz KTFNAPKZWAPIDS-HXUWFJFHSA-N 2 2 320.521 3.842 20 30 DHEDLP C=CCCCCC[NH+]1CCC[C@@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001279272010 1024797899 /nfs/dbraw/zinc/79/78/99/1024797899.db2.gz KTFNAPKZWAPIDS-HXUWFJFHSA-N 2 2 320.521 3.842 20 30 DHEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(-n3cc[nH+]c3)c1)CC2 ZINC000353244939 1024995132 /nfs/dbraw/zinc/99/51/32/1024995132.db2.gz VYCMACXOVFIQGH-HXUWFJFHSA-N 2 2 314.392 3.521 20 30 DHEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411417932 1026000299 /nfs/dbraw/zinc/00/02/99/1026000299.db2.gz FPDKTBMWIYKORT-QGZVFWFLSA-N 2 2 314.477 3.539 20 30 DHEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411417932 1026000315 /nfs/dbraw/zinc/00/03/15/1026000315.db2.gz FPDKTBMWIYKORT-QGZVFWFLSA-N 2 2 314.477 3.539 20 30 DHEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423247884 1027475244 /nfs/dbraw/zinc/47/52/44/1027475244.db2.gz LYDJDVZXGWARDX-PMACEKPBSA-N 2 2 305.425 3.615 20 30 DHEDLP C[C@@H](CCC#N)[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933548184 1027756771 /nfs/dbraw/zinc/75/67/71/1027756771.db2.gz SSYIGZHNXVWOGT-SFHVURJKSA-N 2 2 311.473 3.766 20 30 DHEDLP CC(C)(CCC#N)C[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000369673366 1028520108 /nfs/dbraw/zinc/52/01/08/1028520108.db2.gz YBWNMQKCVWUGST-UHFFFAOYSA-N 2 2 305.491 3.632 20 30 DHEDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000369997974 1028551381 /nfs/dbraw/zinc/55/13/81/1028551381.db2.gz QDYWSKOIJMISTD-INIZCTEOSA-N 2 2 302.466 3.973 20 30 DHEDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000369997974 1028551392 /nfs/dbraw/zinc/55/13/92/1028551392.db2.gz QDYWSKOIJMISTD-INIZCTEOSA-N 2 2 302.466 3.973 20 30 DHEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000815652888 1028595818 /nfs/dbraw/zinc/59/58/18/1028595818.db2.gz YYJIJKSLPVQHKB-ZDUSSCGKSA-N 2 2 304.821 3.692 20 30 DHEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000815652888 1028595829 /nfs/dbraw/zinc/59/58/29/1028595829.db2.gz YYJIJKSLPVQHKB-ZDUSSCGKSA-N 2 2 304.821 3.692 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CCc2cncc3ccccc32)CC1 ZINC000866260952 1030185171 /nfs/dbraw/zinc/18/51/71/1030185171.db2.gz KYHLNPGQBGNEOW-QGZVFWFLSA-N 2 2 323.484 3.796 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000361240611 1031808157 /nfs/dbraw/zinc/80/81/57/1031808157.db2.gz OIYKGSBTRUGIJJ-QGZVFWFLSA-N 2 2 320.864 3.794 20 30 DHEDLP CC(=[NH+]Nc1cc[nH+]cc1C)c1ccc(N2CCCCC2)cc1 ZINC000863157738 1034008937 /nfs/dbraw/zinc/00/89/37/1034008937.db2.gz RRYOSIUKLWGLOF-UHFFFAOYSA-N 2 2 308.429 3.638 20 30 DHEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(F)c1 ZINC000177856111 1034188637 /nfs/dbraw/zinc/18/86/37/1034188637.db2.gz SLGCEXIARWRMSV-UHFFFAOYSA-N 2 2 315.436 3.584 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000191273370 1034758157 /nfs/dbraw/zinc/75/81/57/1034758157.db2.gz RLYJMCZNECLGDO-OAHLLOKOSA-N 2 2 318.509 3.638 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc3c(s2)CCCC3)CC1 ZINC000482640704 1035152280 /nfs/dbraw/zinc/15/22/80/1035152280.db2.gz HNGZMRXMOSCKCX-CQSZACIVSA-N 2 2 304.503 3.928 20 30 DHEDLP CC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(C#N)cc1 ZINC000774135877 1036193815 /nfs/dbraw/zinc/19/38/15/1036193815.db2.gz WIVZXPKVPSSQMH-MSOLQXFVSA-N 2 2 310.445 3.910 20 30 DHEDLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)ccc1C#N ZINC000444000760 1036996126 /nfs/dbraw/zinc/99/61/26/1036996126.db2.gz IHWUILTVBWLJPQ-NRFANRHFSA-N 2 2 319.452 3.621 20 30 DHEDLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)ccc1C#N ZINC000444000760 1036996165 /nfs/dbraw/zinc/99/61/65/1036996165.db2.gz IHWUILTVBWLJPQ-NRFANRHFSA-N 2 2 319.452 3.621 20 30 DHEDLP CN(C)c1cc[nH+]cc1C=[NH+]Nc1cccc(C(F)(F)F)c1 ZINC000776183881 1037654816 /nfs/dbraw/zinc/65/48/16/1037654816.db2.gz RGAVEDJCQBRCOB-UHFFFAOYSA-N 2 2 308.307 3.612 20 30 DHEDLP N#Cc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491057342 1037899376 /nfs/dbraw/zinc/89/93/76/1037899376.db2.gz LFJRVOZVJBSCNY-FQEVSTJZSA-N 2 2 311.473 3.646 20 30 DHEDLP N#Cc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491057342 1037899391 /nfs/dbraw/zinc/89/93/91/1037899391.db2.gz LFJRVOZVJBSCNY-FQEVSTJZSA-N 2 2 311.473 3.646 20 30 DHEDLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3(C#N)CCCC3)CC2)C1 ZINC000593653073 1039581024 /nfs/dbraw/zinc/58/10/24/1039581024.db2.gz AXNJNHXTQHPHIG-AEFFLSMTSA-N 2 2 303.494 3.703 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000594975106 1039947860 /nfs/dbraw/zinc/94/78/60/1039947860.db2.gz QAAVVGNLVJUIRR-IRFCIJBXSA-N 2 2 323.484 3.548 20 30 DHEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)c1 ZINC000602704823 1041169844 /nfs/dbraw/zinc/16/98/44/1041169844.db2.gz KITLDYQVIUUHRO-RLLQIKCJSA-N 2 2 323.484 3.548 20 30 DHEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)c1 ZINC000602704824 1041169904 /nfs/dbraw/zinc/16/99/04/1041169904.db2.gz KITLDYQVIUUHRO-YZGWKJHDSA-N 2 2 323.484 3.548 20 30 DHEDLP C#CCCCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000090398067 334946751 /nfs/dbraw/zinc/94/67/51/334946751.db2.gz YFRBUMHSNOHCDG-UHFFFAOYSA-N 2 2 304.865 3.698 20 30 DHEDLP CCc1ccc([C@@H](C[NH2+]CC(C)(C)CCC#N)[NH+](C)C)cc1 ZINC000174238071 333083810 /nfs/dbraw/zinc/08/38/10/333083810.db2.gz CBJFLYWJQQGUAM-GOSISDBHSA-N 2 2 301.478 3.771 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc3ccccc3c2O)CC1 ZINC000185383840 335132494 /nfs/dbraw/zinc/13/24/94/335132494.db2.gz OMGKMJDTFBRJBB-OAHLLOKOSA-N 2 2 310.441 3.846 20 30 DHEDLP C=CCOc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000066990670 335144850 /nfs/dbraw/zinc/14/48/50/335144850.db2.gz ZMOGSHPBOMQXGD-AWEZNQCLSA-N 2 2 319.836 3.527 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(Cl)c2)CC1 ZINC000531719397 333550696 /nfs/dbraw/zinc/55/06/96/333550696.db2.gz JNCGWLKJBXEXPY-ZDUSSCGKSA-N 2 2 308.853 3.650 20 30 DHEDLP C=C(C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)c1ccccc1 ZINC000343822768 335195690 /nfs/dbraw/zinc/19/56/90/335195690.db2.gz ZWPMIGRNUKPSDV-UHFFFAOYSA-N 2 2 303.409 3.984 20 30 DHEDLP C=CC[NH+]1CCC([NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000182640467 336277595 /nfs/dbraw/zinc/27/75/95/336277595.db2.gz RNGCLMXLCLCGMS-UHFFFAOYSA-N 2 2 304.437 3.996 20 30 DHEDLP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(C#N)cc1 ZINC000377077057 337046436 /nfs/dbraw/zinc/04/64/36/337046436.db2.gz IYFZJURIUUCKMU-LJQANCHMSA-N 2 2 320.440 3.663 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000177907666 337158906 /nfs/dbraw/zinc/15/89/06/337158906.db2.gz WOKHEQRCORRMLD-ZDUSSCGKSA-N 2 2 308.466 3.849 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cnc3ccsc3c2)CC1 ZINC000177911347 337158972 /nfs/dbraw/zinc/15/89/72/337158972.db2.gz SBIPFKWYCUFHQK-CYBMUJFWSA-N 2 2 301.459 3.597 20 30 DHEDLP C#CC[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000272611332 337649357 /nfs/dbraw/zinc/64/93/57/337649357.db2.gz WCYNBJNCJGGPIQ-KRWDZBQOSA-N 2 2 324.390 3.757 20 30 DHEDLP N#C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000424207169 337809365 /nfs/dbraw/zinc/80/93/65/337809365.db2.gz XBTYTQFDQJRPOJ-WMLDXEAASA-N 2 2 317.864 3.586 20 30 DHEDLP CC1CC[NH+]([C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)c2ccccc2)CC1 ZINC000442723375 338429163 /nfs/dbraw/zinc/42/91/63/338429163.db2.gz WZOLQIHDODQWOC-YZGWKJHDSA-N 2 2 311.473 3.741 20 30 DHEDLP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@H]1CCC[C@H]1C#N ZINC000459479412 339031708 /nfs/dbraw/zinc/03/17/08/339031708.db2.gz OATDJZPTMVNRCM-IRXDYDNUSA-N 2 2 310.445 3.797 20 30 DHEDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCC[C@H](C#N)C2)c(C)c1 ZINC000463247220 339111801 /nfs/dbraw/zinc/11/18/01/339111801.db2.gz VACFDHGCROVXFP-BJLQDIEVSA-N 2 2 322.456 3.913 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](Cc2ccc(C)cc2)C(C)C)CC1 ZINC000482631721 339638109 /nfs/dbraw/zinc/63/81/09/339638109.db2.gz OPOYNIZCMHMYSF-FQEVSTJZSA-N 2 2 300.490 3.802 20 30 DHEDLP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000512654735 340371386 /nfs/dbraw/zinc/37/13/86/340371386.db2.gz OHXYNHPLUYHVHM-OAGGEKHMSA-N 2 2 317.452 3.716 20 30 DHEDLP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000512666317 340372113 /nfs/dbraw/zinc/37/21/13/340372113.db2.gz JWIBTKJOJGVMPG-CQSZACIVSA-N 2 2 303.425 3.612 20 30 DHEDLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543960842 341064359 /nfs/dbraw/zinc/06/43/59/341064359.db2.gz BUGGRIHGCMKMSG-QYWGDWMGSA-N 2 2 319.452 3.826 20 30 DHEDLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543960842 341064360 /nfs/dbraw/zinc/06/43/60/341064360.db2.gz BUGGRIHGCMKMSG-QYWGDWMGSA-N 2 2 319.452 3.826 20 30 DHEDLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000246874969 341358051 /nfs/dbraw/zinc/35/80/51/341358051.db2.gz DECDNSUFNRNPBY-XGHQBKJUSA-N 2 2 319.452 3.729 20 30 DHEDLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000246874969 341358052 /nfs/dbraw/zinc/35/80/52/341358052.db2.gz DECDNSUFNRNPBY-XGHQBKJUSA-N 2 2 319.452 3.729 20 30 DHEDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CC[C@H](C#N)C2)c(C)c1 ZINC000567317032 341594627 /nfs/dbraw/zinc/59/46/27/341594627.db2.gz MZZQMOBPUBBNNV-SCTDSRPQSA-N 2 2 308.429 3.523 20 30 DHEDLP C[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181387277 524143275 /nfs/dbraw/zinc/14/32/75/524143275.db2.gz VGWRKRYHGIHZRY-UZLBHIALSA-N 2 2 311.473 3.691 20 30 DHEDLP C=CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655734901 1013675189 /nfs/dbraw/zinc/67/51/89/1013675189.db2.gz PJNVGLSDHIMYEY-UXHICEINSA-N 2 2 314.473 3.537 20 30 DHEDLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CC[C@H](C#N)C2)CCCC1)c1ccccc1 ZINC000442786879 1014730982 /nfs/dbraw/zinc/73/09/82/1014730982.db2.gz WGRLSEFGNXBBGI-LNLFQRSKSA-N 2 2 311.473 3.932 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(C(C)(C)C)s2)CC1 ZINC000106244889 1015180746 /nfs/dbraw/zinc/18/07/46/1015180746.db2.gz ZQDQTPXDEJMZEO-UHFFFAOYSA-N 2 2 307.507 3.571 20 30 DHEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C#N)co2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168037261 1015464100 /nfs/dbraw/zinc/46/41/00/1015464100.db2.gz ZIVSBYCETMXBJL-HGKCTWBKSA-N 2 2 323.440 3.682 20 30 DHEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C#N)co2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168037261 1015464106 /nfs/dbraw/zinc/46/41/06/1015464106.db2.gz ZIVSBYCETMXBJL-HGKCTWBKSA-N 2 2 323.440 3.682 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3ncccc3C)C2)CC1 ZINC000281097837 1015830983 /nfs/dbraw/zinc/83/09/83/1015830983.db2.gz BDZTYLFXXVJZMO-MJGOQNOKSA-N 2 2 313.489 3.656 20 30 DHEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000925178445 1018071486 /nfs/dbraw/zinc/07/14/86/1018071486.db2.gz JWTWMUONARIITA-WBVHZDCISA-N 2 2 310.445 3.622 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccnn2-c2ccccc2)CC1 ZINC000281161995 1019767971 /nfs/dbraw/zinc/76/79/71/1019767971.db2.gz HFOLJSLEMVHTRD-QGZVFWFLSA-N 2 2 324.472 3.563 20 30 DHEDLP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000618741311 1021502455 /nfs/dbraw/zinc/50/24/55/1021502455.db2.gz DNWMPTASCAEFML-FQEVSTJZSA-N 2 2 314.392 3.521 20 30 DHEDLP C[C@]1(C#N)CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172091054 1032985217 /nfs/dbraw/zinc/98/52/17/1032985217.db2.gz ZZSRRCRWVLAANB-PLACYPQZSA-N 2 2 323.484 3.808 20 30 DHEDLP C[C@]1(C#N)CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172091054 1032985219 /nfs/dbraw/zinc/98/52/19/1032985219.db2.gz ZZSRRCRWVLAANB-PLACYPQZSA-N 2 2 323.484 3.808 20 30 DHEDLP C[C@]1(C#N)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172091054 1032985225 /nfs/dbraw/zinc/98/52/25/1032985225.db2.gz ZZSRRCRWVLAANB-PLACYPQZSA-N 2 2 323.484 3.808 20 30 DHEDLP C[C@]1(C#N)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172091054 1032985233 /nfs/dbraw/zinc/98/52/33/1032985233.db2.gz ZZSRRCRWVLAANB-PLACYPQZSA-N 2 2 323.484 3.808 20 30 DHEDLP N#CC1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC001172067935 1032989182 /nfs/dbraw/zinc/98/91/82/1032989182.db2.gz OOHWZTKLZIGRJN-OWZKRDHZSA-N 2 2 323.484 3.856 20 30 DHEDLP N#CC1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC001172067935 1032989193 /nfs/dbraw/zinc/98/91/93/1032989193.db2.gz OOHWZTKLZIGRJN-OWZKRDHZSA-N 2 2 323.484 3.856 20 30 DHEDLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000776728021 1022446841 /nfs/dbraw/zinc/44/68/41/1022446841.db2.gz FRZYTGHPCCJKPM-CXAGYDPISA-N 2 2 314.408 3.659 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2ccc3c(c2)CCCO3)CC1 ZINC000768102082 1022886432 /nfs/dbraw/zinc/88/64/32/1022886432.db2.gz MWUAONSPQJOWLX-LJQANCHMSA-N 2 2 314.473 3.703 20 30 DHEDLP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000651741415 1023510156 /nfs/dbraw/zinc/51/01/56/1023510156.db2.gz JKCMXTRMPXANEL-HLIPFELVSA-N 2 2 313.489 3.941 20 30 DHEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000268859455 1024181381 /nfs/dbraw/zinc/18/13/81/1024181381.db2.gz YPAABHVJEGOHHQ-LSDHHAIUSA-N 2 2 319.836 3.754 20 30 DHEDLP C=CCC[C@@H](Cc1ccccc1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000883171729 1024267345 /nfs/dbraw/zinc/26/73/45/1024267345.db2.gz HCIJDPDNHOWTQN-IBGZPJMESA-N 2 2 323.484 3.929 20 30 DHEDLP C=CC[NH+]1CCC([NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894228441 1026527940 /nfs/dbraw/zinc/52/79/40/1026527940.db2.gz DFNLBLOXAOVKPF-UHFFFAOYSA-N 2 2 321.877 3.690 20 30 DHEDLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000423233617 1027467432 /nfs/dbraw/zinc/46/74/32/1027467432.db2.gz DVUULKSVAMXCPC-LEWJYISDSA-N 2 2 319.452 3.959 20 30 DHEDLP CC(=NNc1cc[nH+]c2ccccc12)c1cccc(C[NH+](C)C)c1 ZINC000814841232 1028239575 /nfs/dbraw/zinc/23/95/75/1028239575.db2.gz HQWONTSXQFMGKM-UHFFFAOYSA-N 2 2 318.424 3.554 20 30 DHEDLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CCC1 ZINC000449480050 1028679487 /nfs/dbraw/zinc/67/94/87/1028679487.db2.gz XFDKTEAPRABVRW-MOPGFXCFSA-N 2 2 311.473 3.713 20 30 DHEDLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CCC1 ZINC000449480050 1028679497 /nfs/dbraw/zinc/67/94/97/1028679497.db2.gz XFDKTEAPRABVRW-MOPGFXCFSA-N 2 2 311.473 3.713 20 30 DHEDLP CC(C)(C#N)CCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374289062 1029277136 /nfs/dbraw/zinc/27/71/36/1029277136.db2.gz UPSBRLIKDMXGRJ-INIZCTEOSA-N 2 2 314.477 3.729 20 30 DHEDLP CC(C)(C#N)CCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374289062 1029277151 /nfs/dbraw/zinc/27/71/51/1029277151.db2.gz UPSBRLIKDMXGRJ-INIZCTEOSA-N 2 2 314.477 3.729 20 30 DHEDLP C=CCC[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccco1 ZINC000817942343 1029288382 /nfs/dbraw/zinc/28/83/82/1029288382.db2.gz OHYKEUPTBHYOSV-ZWKOTPCHSA-N 2 2 313.445 3.643 20 30 DHEDLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(C#N)cc1F ZINC000358580465 1030546189 /nfs/dbraw/zinc/54/61/89/1030546189.db2.gz XVYBLNOSKSRTHE-CQSZACIVSA-N 2 2 320.371 3.734 20 30 DHEDLP CC[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc(C#N)c1O ZINC000926488293 1030759981 /nfs/dbraw/zinc/75/99/81/1030759981.db2.gz YTXGHRFHSXKZBG-SFHVURJKSA-N 2 2 315.461 3.571 20 30 DHEDLP CC(C)[NH+]1CCC(C[N@H+](C)Cc2c(Cl)cccc2C#N)CC1 ZINC001143722712 1030930423 /nfs/dbraw/zinc/93/04/23/1030930423.db2.gz GASGPTUHHZSSGE-UHFFFAOYSA-N 2 2 319.880 3.764 20 30 DHEDLP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c(Cl)cccc2C#N)CC1 ZINC001143722712 1030930436 /nfs/dbraw/zinc/93/04/36/1030930436.db2.gz GASGPTUHHZSSGE-UHFFFAOYSA-N 2 2 319.880 3.764 20 30 DHEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872102941 1031492719 /nfs/dbraw/zinc/49/27/19/1031492719.db2.gz UUBBFAZOJCVWEO-QGZVFWFLSA-N 2 2 311.473 3.960 20 30 DHEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000360834502 1031581711 /nfs/dbraw/zinc/58/17/11/1031581711.db2.gz IPLPGMIHFOBZEQ-ZCNNSNEGSA-N 2 2 309.457 3.542 20 30 DHEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000360834502 1031581718 /nfs/dbraw/zinc/58/17/18/1031581718.db2.gz IPLPGMIHFOBZEQ-ZCNNSNEGSA-N 2 2 309.457 3.542 20 30 DHEDLP CCCCCCCC[C@H](CCC)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001173310557 1033665864 /nfs/dbraw/zinc/66/58/64/1033665864.db2.gz WYCYRWIVMWGWHL-SFHVURJKSA-N 2 2 312.542 3.952 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc3c(s2)CCCC3)CC1 ZINC000482640703 1035152580 /nfs/dbraw/zinc/15/25/80/1035152580.db2.gz HNGZMRXMOSCKCX-AWEZNQCLSA-N 2 2 304.503 3.928 20 30 DHEDLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)C1CC1 ZINC000193308791 1036498711 /nfs/dbraw/zinc/49/87/11/1036498711.db2.gz OMCPHBJOBDHXAG-DFQSSKMNSA-N 2 2 311.473 3.569 20 30 DHEDLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)C1CC1 ZINC000193308791 1036498724 /nfs/dbraw/zinc/49/87/24/1036498724.db2.gz OMCPHBJOBDHXAG-DFQSSKMNSA-N 2 2 311.473 3.569 20 30 DHEDLP CC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271831441 1036550580 /nfs/dbraw/zinc/55/05/80/1036550580.db2.gz DWHCTUXKSIXGCG-ICSRJNTNSA-N 2 2 311.473 3.691 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2cc(Cl)ccc2O)CC1 ZINC000775502878 1038596882 /nfs/dbraw/zinc/59/68/82/1038596882.db2.gz XNOJAVKGUFEQHC-INIZCTEOSA-N 2 2 308.853 3.737 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCCC34CC4)CC2)cc1 ZINC000599017574 1038998590 /nfs/dbraw/zinc/99/85/90/1038998590.db2.gz QYPXAHUQMUHXOI-IBGZPJMESA-N 2 2 323.484 3.693 20 30 DHEDLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2(C#N)CCCC2)CC1 ZINC000593653241 1039580790 /nfs/dbraw/zinc/58/07/90/1039580790.db2.gz GINVYQZIKJZYPR-SJLPKXTDSA-N 2 2 303.494 3.703 20 30 DHEDLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3(C#N)CCCC3)CC2)C1 ZINC000593653074 1039581598 /nfs/dbraw/zinc/58/15/98/1039581598.db2.gz AXNJNHXTQHPHIG-FUHWJXTLSA-N 2 2 303.494 3.703 20 30 DHEDLP C=CCCSCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000595059897 1040025479 /nfs/dbraw/zinc/02/54/79/1040025479.db2.gz RMLZFUKZGBEECV-HNNXBMFYSA-N 2 2 301.459 3.832 20 30 DHEDLP N#Cc1c(F)cccc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000602000441 1040853523 /nfs/dbraw/zinc/85/35/23/1040853523.db2.gz YYOUELRWXGDAAW-UHFFFAOYSA-N 2 2 323.415 3.583 20 30 DHEDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@H](C)CCC#N)c(C)c1 ZINC000602579624 1041111356 /nfs/dbraw/zinc/11/13/56/1041111356.db2.gz CAVGZUXYGVHETG-APWZRJJASA-N 2 2 310.445 3.771 20 30 DHEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000184088860 333191707 /nfs/dbraw/zinc/19/17/07/333191707.db2.gz HWJFVSIBRYSWRR-MRXNPFEDSA-N 2 2 305.853 3.586 20 30 DHEDLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]CC(C)(C)CCC#N)C1CC1 ZINC000185223319 333205829 /nfs/dbraw/zinc/20/58/29/333205829.db2.gz ZMYWPLURFWVIHF-IBGZPJMESA-N 2 2 313.489 3.817 20 30 DHEDLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]CC(C)(C)CCC#N)C1CC1 ZINC000185223319 333205831 /nfs/dbraw/zinc/20/58/31/333205831.db2.gz ZMYWPLURFWVIHF-IBGZPJMESA-N 2 2 313.489 3.817 20 30 DHEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000294056426 334205202 /nfs/dbraw/zinc/20/52/02/334205202.db2.gz JSFLNODUBFKCGT-RDJZCZTQSA-N 2 2 308.429 3.674 20 30 DHEDLP C[C@H]1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000366868980 335254336 /nfs/dbraw/zinc/25/43/36/335254336.db2.gz OZXUDRWGDWPBLB-QFBILLFUSA-N 2 2 311.473 3.548 20 30 DHEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000378185631 337067879 /nfs/dbraw/zinc/06/78/79/337067879.db2.gz ZRDUJZIQPAMEKV-KRXQYRFLSA-N 2 2 321.534 3.852 20 30 DHEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000378185631 337067880 /nfs/dbraw/zinc/06/78/80/337067880.db2.gz ZRDUJZIQPAMEKV-KRXQYRFLSA-N 2 2 321.534 3.852 20 30 DHEDLP C=CCC[C@H](CCC)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000378476354 337073767 /nfs/dbraw/zinc/07/37/67/337073767.db2.gz RYBGWRKQEJNDNT-NZSAHSFTSA-N 2 2 318.509 3.528 20 30 DHEDLP C=CCC[C@H](CCC)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000378476354 337073768 /nfs/dbraw/zinc/07/37/68/337073768.db2.gz RYBGWRKQEJNDNT-NZSAHSFTSA-N 2 2 318.509 3.528 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(Br)c2)CC1 ZINC000173398175 337135743 /nfs/dbraw/zinc/13/57/43/337135743.db2.gz AACNPQUGAVQDAO-ZDUSSCGKSA-N 2 2 323.278 3.750 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCCC)cc2)CC1 ZINC000177913815 337158863 /nfs/dbraw/zinc/15/88/63/337158863.db2.gz SNRYPGSAMZIXSJ-INIZCTEOSA-N 2 2 302.462 3.776 20 30 DHEDLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(C#N)s1 ZINC000183255686 337192668 /nfs/dbraw/zinc/19/26/68/337192668.db2.gz UJZQALFRDSWNBU-ZDUSSCGKSA-N 2 2 308.410 3.656 20 30 DHEDLP C#CC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000272611333 337649319 /nfs/dbraw/zinc/64/93/19/337649319.db2.gz WCYNBJNCJGGPIQ-QGZVFWFLSA-N 2 2 324.390 3.757 20 30 DHEDLP C=CCC[C@H](CC)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429437455 338081037 /nfs/dbraw/zinc/08/10/37/338081037.db2.gz ZZDZKFVUYBNFRP-VQTJNVASSA-N 2 2 316.489 3.612 20 30 DHEDLP C=CCC[C@H](CC)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429437455 338081038 /nfs/dbraw/zinc/08/10/38/338081038.db2.gz ZZDZKFVUYBNFRP-VQTJNVASSA-N 2 2 316.489 3.612 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000474059945 339399947 /nfs/dbraw/zinc/39/99/47/339399947.db2.gz UFGWKBQRTPVMIV-LJQANCHMSA-N 2 2 314.473 3.658 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000498937632 340026630 /nfs/dbraw/zinc/02/66/30/340026630.db2.gz LCOBRRZQDFQEMW-SFHVURJKSA-N 2 2 305.441 3.548 20 30 DHEDLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)Cc1ccccc1 ZINC000185775036 340505020 /nfs/dbraw/zinc/50/50/20/340505020.db2.gz SVDPXWZBYUOBTR-UFYCRDLUSA-N 2 2 313.489 3.611 20 30 DHEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)s1 ZINC000131092664 341059334 /nfs/dbraw/zinc/05/93/34/341059334.db2.gz HCMQYHDOHQUILB-INIZCTEOSA-N 2 2 317.502 3.708 20 30 DHEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)s1 ZINC000131092664 341059335 /nfs/dbraw/zinc/05/93/35/341059335.db2.gz HCMQYHDOHQUILB-INIZCTEOSA-N 2 2 317.502 3.708 20 30 DHEDLP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)[NH+]2CCCC2)cc1 ZINC000248778183 341386759 /nfs/dbraw/zinc/38/67/59/341386759.db2.gz HTMDKXWYIZURPE-RLLQIKCJSA-N 2 2 311.473 3.804 20 30 DHEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H](C)C1CCSCC1)C(C)C ZINC000474471157 1015385483 /nfs/dbraw/zinc/38/54/83/1015385483.db2.gz FYLFBUBUFJSSLR-SJLPKXTDSA-N 2 2 310.551 3.806 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2ccc(F)c(F)c2)C(C)C)CC1 ZINC000182069208 1017856672 /nfs/dbraw/zinc/85/66/72/1017856672.db2.gz YVNAESNFQWYNCC-GOSISDBHSA-N 2 2 308.416 3.902 20 30 DHEDLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(C#N)c1 ZINC000174430932 1018427579 /nfs/dbraw/zinc/42/75/79/1018427579.db2.gz BHGBWDFWLBVPKV-HNNXBMFYSA-N 2 2 302.381 3.595 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000765834663 1020464781 /nfs/dbraw/zinc/46/47/81/1020464781.db2.gz FZANQFJWVDDHRC-KRWDZBQOSA-N 2 2 324.472 3.563 20 30 DHEDLP C[N@@H+]1CCC[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H]1c1cccs1 ZINC000893018114 1021803354 /nfs/dbraw/zinc/80/33/54/1021803354.db2.gz CJQAKSRPEAIPQW-ICSRJNTNSA-N 2 2 324.493 3.772 20 30 DHEDLP C[N@H+]1CCC[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H]1c1cccs1 ZINC000893018114 1021803370 /nfs/dbraw/zinc/80/33/70/1021803370.db2.gz CJQAKSRPEAIPQW-ICSRJNTNSA-N 2 2 324.493 3.772 20 30 DHEDLP CC1(C)C[C@H](Nc2cc(C3(C#N)CC3)cc[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001169145967 1022276845 /nfs/dbraw/zinc/27/68/45/1022276845.db2.gz QBUHZTNTMUVAES-MAUKXSAKSA-N 2 2 312.461 3.592 20 30 DHEDLP CC1(C)C[C@@H](Nc2cc(C3(C#N)CC3)cc[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001169145969 1022277007 /nfs/dbraw/zinc/27/70/07/1022277007.db2.gz QBUHZTNTMUVAES-QAPCUYQASA-N 2 2 312.461 3.592 20 30 DHEDLP CC[C@H](CC(C)C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001172387387 1033173299 /nfs/dbraw/zinc/17/32/99/1033173299.db2.gz UZGWBAPXWDLZFY-LJQANCHMSA-N 2 2 313.489 3.937 20 30 DHEDLP CC1(C#N)CCC([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000883387972 1024422875 /nfs/dbraw/zinc/42/28/75/1024422875.db2.gz JLJOPTZDIRECFN-JLAWEPINSA-N 2 2 308.429 3.686 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000421839363 1027072674 /nfs/dbraw/zinc/07/26/74/1027072674.db2.gz XBMHCIMFKDMYIL-LJQANCHMSA-N 2 2 318.436 3.525 20 30 DHEDLP CC(C)(C#N)CCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374289065 1029277369 /nfs/dbraw/zinc/27/73/69/1029277369.db2.gz UPSBRLIKDMXGRJ-MRXNPFEDSA-N 2 2 314.477 3.729 20 30 DHEDLP CC(C)(C#N)CCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374289065 1029277382 /nfs/dbraw/zinc/27/73/82/1029277382.db2.gz UPSBRLIKDMXGRJ-MRXNPFEDSA-N 2 2 314.477 3.729 20 30 DHEDLP CC[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc(C#N)c1O ZINC000926488292 1030761291 /nfs/dbraw/zinc/76/12/91/1030761291.db2.gz YTXGHRFHSXKZBG-GOSISDBHSA-N 2 2 315.461 3.571 20 30 DHEDLP CC[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cccc(C#N)c1O ZINC000926795253 1030931141 /nfs/dbraw/zinc/93/11/41/1030931141.db2.gz FBVHHOJAVUXHEG-URSIVYNOSA-N 2 2 315.461 3.567 20 30 DHEDLP N#CCC1CCC([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC001173333892 1033691578 /nfs/dbraw/zinc/69/15/78/1033691578.db2.gz RXSXHCIISMVAPE-UUKMXZOPSA-N 2 2 311.473 3.713 20 30 DHEDLP N#CCC1CCC([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC001173333892 1033691586 /nfs/dbraw/zinc/69/15/86/1033691586.db2.gz RXSXHCIISMVAPE-UUKMXZOPSA-N 2 2 311.473 3.713 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CC4CCC3CC4)CC2)cc1 ZINC000568591013 1035377256 /nfs/dbraw/zinc/37/72/56/1035377256.db2.gz QRKGZQPNYCOZIE-IOYBJCICSA-N 2 2 323.484 3.691 20 30 DHEDLP CC(C)(C#N)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000598998676 1038980526 /nfs/dbraw/zinc/98/05/26/1038980526.db2.gz UFZHJXBJVHBGPD-IBGZPJMESA-N 2 2 311.473 3.594 20 30 DHEDLP CC(C)(C#N)c1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000598998676 1038980533 /nfs/dbraw/zinc/98/05/33/1038980533.db2.gz UFZHJXBJVHBGPD-IBGZPJMESA-N 2 2 311.473 3.594 20 30 DHEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595509427 1040157813 /nfs/dbraw/zinc/15/78/13/1040157813.db2.gz UDOJRWQIBKNFRU-QGZVFWFLSA-N 2 2 319.452 3.873 20 30 DHEDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C2CCC(C#N)CC2)c(C)c1 ZINC000602581302 1041113428 /nfs/dbraw/zinc/11/34/28/1041113428.db2.gz JPVMAVYYYBIVEU-AFMYVXGZSA-N 2 2 322.456 3.913 20 30 DHEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285526460 131177867 /nfs/dbraw/zinc/17/78/67/131177867.db2.gz FDKSBTCABVQQCR-INIZCTEOSA-N 2 2 311.429 3.666 20 30 DHEDLP C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285526460 131177868 /nfs/dbraw/zinc/17/78/68/131177868.db2.gz FDKSBTCABVQQCR-INIZCTEOSA-N 2 2 311.429 3.666 20 30 DHEDLP C[C@@H](c1ccc(C#N)cc1)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285526460 131177870 /nfs/dbraw/zinc/17/78/70/131177870.db2.gz FDKSBTCABVQQCR-INIZCTEOSA-N 2 2 311.429 3.666 20 30 DHEDLP C[C@@H](c1ccc(C#N)cc1)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285526460 131177871 /nfs/dbraw/zinc/17/78/71/131177871.db2.gz FDKSBTCABVQQCR-INIZCTEOSA-N 2 2 311.429 3.666 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCc3nc(CC)sc32)CC1 ZINC000152996298 332332709 /nfs/dbraw/zinc/33/27/09/332332709.db2.gz YCTITYXATZNCKS-HNNXBMFYSA-N 2 2 319.518 3.713 20 30 DHEDLP N#CCCCC[N@@H+]1CCC[C@H]1[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000364054245 333228112 /nfs/dbraw/zinc/22/81/12/333228112.db2.gz IMQKNHGEDNEGIS-VQTJNVASSA-N 2 2 311.473 3.809 20 30 DHEDLP N#CCCCC[N@H+]1CCC[C@H]1[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000364054245 333228113 /nfs/dbraw/zinc/22/81/13/333228113.db2.gz IMQKNHGEDNEGIS-VQTJNVASSA-N 2 2 311.473 3.809 20 30 DHEDLP N#CCCCC[NH+]1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000364054245 333228114 /nfs/dbraw/zinc/22/81/14/333228114.db2.gz IMQKNHGEDNEGIS-VQTJNVASSA-N 2 2 311.473 3.809 20 30 DHEDLP N#CCCCC[NH+]1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000364054245 333228115 /nfs/dbraw/zinc/22/81/15/333228115.db2.gz IMQKNHGEDNEGIS-VQTJNVASSA-N 2 2 311.473 3.809 20 30 DHEDLP C=C(C)[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)c(F)c1 ZINC000297318375 335152898 /nfs/dbraw/zinc/15/28/98/335152898.db2.gz CDNKJYYZKWGPNG-GOSISDBHSA-N 2 2 306.400 3.798 20 30 DHEDLP CCc1[nH+]c2ccccc2n1C1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000299733732 334257760 /nfs/dbraw/zinc/25/77/60/334257760.db2.gz YYTMPQCCKLTYAM-OAHLLOKOSA-N 2 2 310.445 3.928 20 30 DHEDLP C[C@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000343631335 335183213 /nfs/dbraw/zinc/18/32/13/335183213.db2.gz ZFPBOOUUMZCSOB-INIZCTEOSA-N 2 2 316.408 3.637 20 30 DHEDLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329923039 336095804 /nfs/dbraw/zinc/09/58/04/336095804.db2.gz GTGZWUJSJIVIID-QXSJWSMHSA-N 2 2 318.465 3.513 20 30 DHEDLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329923039 336095806 /nfs/dbraw/zinc/09/58/06/336095806.db2.gz GTGZWUJSJIVIID-QXSJWSMHSA-N 2 2 318.465 3.513 20 30 DHEDLP CC(C)(CCC#N)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376740131 337040182 /nfs/dbraw/zinc/04/01/82/337040182.db2.gz QOSOVPNHRKMTAF-MRXNPFEDSA-N 2 2 314.477 3.729 20 30 DHEDLP CC(C)(CCC#N)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376740131 337040183 /nfs/dbraw/zinc/04/01/83/337040183.db2.gz QOSOVPNHRKMTAF-MRXNPFEDSA-N 2 2 314.477 3.729 20 30 DHEDLP C=CCC[C@H](CC)[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000378186993 337068040 /nfs/dbraw/zinc/06/80/40/337068040.db2.gz YDEPNVZOOPHOIW-QILLFSRXSA-N 2 2 321.534 3.996 20 30 DHEDLP C=CCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000378186993 337068041 /nfs/dbraw/zinc/06/80/41/337068041.db2.gz YDEPNVZOOPHOIW-QILLFSRXSA-N 2 2 321.534 3.996 20 30 DHEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000191889720 337300965 /nfs/dbraw/zinc/30/09/65/337300965.db2.gz GMHUUHCCLRHKHX-UHFFFAOYSA-N 2 2 316.408 3.684 20 30 DHEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000191889720 337300966 /nfs/dbraw/zinc/30/09/66/337300966.db2.gz GMHUUHCCLRHKHX-UHFFFAOYSA-N 2 2 316.408 3.684 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421828263 337646987 /nfs/dbraw/zinc/64/69/87/337646987.db2.gz BXDBQSWKSOVBBL-ZDUSSCGKSA-N 2 2 310.844 3.650 20 30 DHEDLP C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000245907029 341317885 /nfs/dbraw/zinc/31/78/85/341317885.db2.gz OSEGHGYRVKLDCY-RUCARUNLSA-N 2 2 311.473 3.691 20 30 DHEDLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC#Cc2ccccc2)C1 ZINC000248836249 341388180 /nfs/dbraw/zinc/38/81/80/341388180.db2.gz JYPQKXROMJZXAB-CTNGQTDRSA-N 2 2 310.485 3.625 20 30 DHEDLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC#Cc2ccccc2)C1 ZINC000248836249 341388181 /nfs/dbraw/zinc/38/81/81/341388181.db2.gz JYPQKXROMJZXAB-CTNGQTDRSA-N 2 2 310.485 3.625 20 30 DHEDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000248836249 341388182 /nfs/dbraw/zinc/38/81/82/341388182.db2.gz JYPQKXROMJZXAB-CTNGQTDRSA-N 2 2 310.485 3.625 20 30 DHEDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000248836249 341388183 /nfs/dbraw/zinc/38/81/83/341388183.db2.gz JYPQKXROMJZXAB-CTNGQTDRSA-N 2 2 310.485 3.625 20 30 DHEDLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CCCC1)c1ccccc1 ZINC000442786884 1014730808 /nfs/dbraw/zinc/73/08/08/1014730808.db2.gz WGRLSEFGNXBBGI-SCTDSRPQSA-N 2 2 311.473 3.932 20 30 DHEDLP C[C@H]1CC([NH2+]Cc2ccc(C#N)o2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168036522 1015415317 /nfs/dbraw/zinc/41/53/17/1015415317.db2.gz UZNVSAFKHCWILX-HOTGVXAUSA-N 2 2 323.440 3.682 20 30 DHEDLP C[C@@H]1C[C@@H]([NH+]2CC[C@](C)(C#N)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168056198 1016953034 /nfs/dbraw/zinc/95/30/34/1016953034.db2.gz CYQQDIDDRYZCDH-PIKOESSRSA-N 2 2 311.473 3.664 20 30 DHEDLP C[C@@H]1C[C@@H]([NH+]2CC[C@](C)(C#N)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168056198 1016953048 /nfs/dbraw/zinc/95/30/48/1016953048.db2.gz CYQQDIDDRYZCDH-PIKOESSRSA-N 2 2 311.473 3.664 20 30 DHEDLP C[C@@H]1C[C@@H]([N@@H+]2CC[C@](C)(C#N)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056198 1016953068 /nfs/dbraw/zinc/95/30/68/1016953068.db2.gz CYQQDIDDRYZCDH-PIKOESSRSA-N 2 2 311.473 3.664 20 30 DHEDLP C[C@@H]1C[C@@H]([N@H+]2CC[C@](C)(C#N)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056198 1016953084 /nfs/dbraw/zinc/95/30/84/1016953084.db2.gz CYQQDIDDRYZCDH-PIKOESSRSA-N 2 2 311.473 3.664 20 30 DHEDLP C[N@@H+]1CC[C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623439598 1017048990 /nfs/dbraw/zinc/04/89/90/1017048990.db2.gz QDISCDYIXIDNQQ-INIZCTEOSA-N 2 2 324.390 3.519 20 30 DHEDLP C[N@H+]1CC[C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623439598 1017049004 /nfs/dbraw/zinc/04/90/04/1017049004.db2.gz QDISCDYIXIDNQQ-INIZCTEOSA-N 2 2 324.390 3.519 20 30 DHEDLP C=C(Br)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000125091806 1032688533 /nfs/dbraw/zinc/68/85/33/1032688533.db2.gz ZFQBWFZNQXTACF-GFCCVEGCSA-N 2 2 320.234 3.740 20 30 DHEDLP C=C(Cl)C[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000363531893 1019736438 /nfs/dbraw/zinc/73/64/38/1019736438.db2.gz BJJXOTXQMOEHBL-UHFFFAOYSA-N 2 2 322.884 3.562 20 30 DHEDLP C=C(Cl)C[N@H+](C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000363531893 1019736461 /nfs/dbraw/zinc/73/64/61/1019736461.db2.gz BJJXOTXQMOEHBL-UHFFFAOYSA-N 2 2 322.884 3.562 20 30 DHEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000730019390 1019940431 /nfs/dbraw/zinc/94/04/31/1019940431.db2.gz JKXJDVFOKSTFLD-UHFFFAOYSA-N 2 2 322.452 3.799 20 30 DHEDLP CC1CC[NH+](C2CCC(/[NH+]=C/c3ccccc3O)CC2)CC1 ZINC000751521797 1019965204 /nfs/dbraw/zinc/96/52/04/1019965204.db2.gz AUGGNTGVZNDTHB-XSFVSMFZSA-N 2 2 300.446 3.854 20 30 DHEDLP Cc1ccccc1C[NH+]1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC000892607494 1021083354 /nfs/dbraw/zinc/08/33/54/1021083354.db2.gz UAXQBCGCCZDMEC-UHFFFAOYSA-N 2 2 318.464 3.601 20 30 DHEDLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(C#N)c1 ZINC000181479850 1021199202 /nfs/dbraw/zinc/19/92/02/1021199202.db2.gz JEOZPIWBMQSRFR-MRXNPFEDSA-N 2 2 316.408 3.654 20 30 DHEDLP CC[C@@H](C)C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181996538 1021424605 /nfs/dbraw/zinc/42/46/05/1021424605.db2.gz SWXZCDUWSSMINZ-IAGOWNOFSA-N 2 2 313.489 3.937 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000877009259 1033205869 /nfs/dbraw/zinc/20/58/69/1033205869.db2.gz KNMLTQXUHQVXJI-UHFFFAOYSA-N 2 2 319.836 3.611 20 30 DHEDLP Cc1cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c[nH+]c1C ZINC000883342097 1024392165 /nfs/dbraw/zinc/39/21/65/1024392165.db2.gz KNTRTWRJQFLZJO-UHFFFAOYSA-N 2 2 320.440 3.647 20 30 DHEDLP C=CC[C@@H]1[N@H+](Cc2ncc(C[NH+](C)C)s2)CCCC1(C)C ZINC000348373711 1025577365 /nfs/dbraw/zinc/57/73/65/1025577365.db2.gz INTLSRSKCDNHNH-HNNXBMFYSA-N 2 2 307.507 3.771 20 30 DHEDLP C=CC[C@@H]1[N@@H+](Cc2ncc(C[NH+](C)C)s2)CCCC1(C)C ZINC000348373711 1025577375 /nfs/dbraw/zinc/57/73/75/1025577375.db2.gz INTLSRSKCDNHNH-HNNXBMFYSA-N 2 2 307.507 3.771 20 30 DHEDLP C[C@]1(C[NH2+]Cc2cccc(C#N)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000397904712 1026280131 /nfs/dbraw/zinc/28/01/31/1026280131.db2.gz DGAXEZCLWANTSU-OAQYLSRUSA-N 2 2 319.452 3.703 20 30 DHEDLP C[C@]1(C[NH2+]Cc2cccc(C#N)c2)CCC[N@H+]1Cc1ccccc1 ZINC000397904712 1026280144 /nfs/dbraw/zinc/28/01/44/1026280144.db2.gz DGAXEZCLWANTSU-OAQYLSRUSA-N 2 2 319.452 3.703 20 30 DHEDLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C[C@@H]1c1ccccc1 ZINC000421891016 1027079748 /nfs/dbraw/zinc/07/97/48/1027079748.db2.gz VSMIEMYVYCORKO-MAUKXSAKSA-N 2 2 311.454 3.545 20 30 DHEDLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C[C@@H]1c1ccccc1 ZINC000421891016 1027079755 /nfs/dbraw/zinc/07/97/55/1027079755.db2.gz VSMIEMYVYCORKO-MAUKXSAKSA-N 2 2 311.454 3.545 20 30 DHEDLP C[C@H](CCC#N)[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933548183 1027757392 /nfs/dbraw/zinc/75/73/92/1027757392.db2.gz SSYIGZHNXVWOGT-GOSISDBHSA-N 2 2 311.473 3.766 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc1 ZINC000527735124 1027852470 /nfs/dbraw/zinc/85/24/70/1027852470.db2.gz NOSWHNUASJDPBU-AQNXPRMDSA-N 2 2 323.484 3.548 20 30 DHEDLP C=CCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000365340267 1027928959 /nfs/dbraw/zinc/92/89/59/1027928959.db2.gz AOISSXZRXOKZRW-MAUKXSAKSA-N 2 2 321.534 3.998 20 30 DHEDLP C=CCCCCC[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000365340267 1027928975 /nfs/dbraw/zinc/92/89/75/1027928975.db2.gz AOISSXZRXOKZRW-MAUKXSAKSA-N 2 2 321.534 3.998 20 30 DHEDLP CC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(C#N)c1O ZINC000925309386 1030341705 /nfs/dbraw/zinc/34/17/05/1030341705.db2.gz ZNYBIAIIPUDKNS-KRWDZBQOSA-N 2 2 315.461 3.567 20 30 DHEDLP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000926496415 1030766103 /nfs/dbraw/zinc/76/61/03/1030766103.db2.gz CQQHROTZEUTERZ-ZDUSSCGKSA-N 2 2 316.836 3.944 20 30 DHEDLP C[C@@H](Cc1cccc(C#N)c1)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001171201635 1031761422 /nfs/dbraw/zinc/76/14/22/1031761422.db2.gz PAWYEKUNQXBDJO-HNNXBMFYSA-N 2 2 316.408 3.684 20 30 DHEDLP CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001173265340 1033636118 /nfs/dbraw/zinc/63/61/18/1033636118.db2.gz SIBRDCWNXVVGQD-JXFKEZNVSA-N 2 2 311.473 3.691 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC4CCC3CC4)CC2)cc1 ZINC000568591014 1035377116 /nfs/dbraw/zinc/37/71/16/1035377116.db2.gz QRKGZQPNYCOZIE-VFIGECHUSA-N 2 2 323.484 3.691 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3CCCCC3)CC2)cc1 ZINC000271812464 1036548820 /nfs/dbraw/zinc/54/88/20/1036548820.db2.gz BACZBUFAALBFNP-UHFFFAOYSA-N 2 2 311.473 3.693 20 30 DHEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)C(C)C ZINC001199197746 1037212853 /nfs/dbraw/zinc/21/28/53/1037212853.db2.gz IZNPGXVNMBEQJM-GUDVDZBRSA-N 2 2 322.537 3.868 20 30 DHEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000398000478 1037577709 /nfs/dbraw/zinc/57/77/09/1037577709.db2.gz VRNDYRULILXLTR-DENIHFKCSA-N 2 2 318.464 3.538 20 30 DHEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000398000478 1037577734 /nfs/dbraw/zinc/57/77/34/1037577734.db2.gz VRNDYRULILXLTR-DENIHFKCSA-N 2 2 318.464 3.538 20 30 DHEDLP CCCCCCCC[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001201813072 1037900254 /nfs/dbraw/zinc/90/02/54/1037900254.db2.gz AOVXTACWUDKPND-UHFFFAOYSA-N 2 2 318.509 3.655 20 30 DHEDLP CCCCCCCC[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001201813072 1037900265 /nfs/dbraw/zinc/90/02/65/1037900265.db2.gz AOVXTACWUDKPND-UHFFFAOYSA-N 2 2 318.509 3.655 20 30 DHEDLP Cc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1C#N ZINC000599388065 1039147741 /nfs/dbraw/zinc/14/77/41/1039147741.db2.gz ZLTMPNSDPBAFGQ-UHFFFAOYSA-N 2 2 321.424 3.614 20 30 DHEDLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2(C#N)CCCC2)CC1 ZINC000593653240 1039578728 /nfs/dbraw/zinc/57/87/28/1039578728.db2.gz GINVYQZIKJZYPR-FUHWJXTLSA-N 2 2 303.494 3.703 20 30 DHEDLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3(C#N)CCCC3)CC2)C1 ZINC000593653075 1039579488 /nfs/dbraw/zinc/57/94/88/1039579488.db2.gz AXNJNHXTQHPHIG-SJLPKXTDSA-N 2 2 303.494 3.703 20 30 DHEDLP CC(C)CC1([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000595000865 1040013305 /nfs/dbraw/zinc/01/33/05/1040013305.db2.gz PUBNTYVGUSVKJJ-UHFFFAOYSA-N 2 2 311.473 3.691 20 30 DHEDLP CCC1([NH+]2CCCC2)CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000602948891 1041320342 /nfs/dbraw/zinc/32/03/42/1041320342.db2.gz FRWJURKZJRTMLR-QGZVFWFLSA-N 2 2 311.473 3.960 20 30 DHEDLP C=CCC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CC1 ZINC000090667451 334949641 /nfs/dbraw/zinc/94/96/41/334949641.db2.gz UQMDSRFBMGHBNM-OXJNMPFZSA-N 2 2 313.489 3.941 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)cc2F)CC1 ZINC000152947551 332332607 /nfs/dbraw/zinc/33/26/07/332332607.db2.gz PODSGDYFFPXVLW-AWEZNQCLSA-N 2 2 306.425 3.525 20 30 DHEDLP CCc1ccc([C@H](C[NH2+]CC(C)(C)CCC#N)[NH+](C)C)cc1 ZINC000174238081 333083845 /nfs/dbraw/zinc/08/38/45/333083845.db2.gz CBJFLYWJQQGUAM-SFHVURJKSA-N 2 2 301.478 3.771 20 30 DHEDLP C[C@@H]1C[C@H]([NH2+]CC2CCC(C#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000281469902 334126403 /nfs/dbraw/zinc/12/64/03/334126403.db2.gz BMEHEPZIVHJDEE-KMEYYKJISA-N 2 2 311.473 3.569 20 30 DHEDLP C[C@@H]1C[C@H]([NH2+]CC2CCC(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000281469902 334126405 /nfs/dbraw/zinc/12/64/05/334126405.db2.gz BMEHEPZIVHJDEE-KMEYYKJISA-N 2 2 311.473 3.569 20 30 DHEDLP CCc1[nH+]c2ccccc2n1C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000293825942 334202650 /nfs/dbraw/zinc/20/26/50/334202650.db2.gz PISNGJACYMSZRP-NVXWUHKLSA-N 2 2 322.456 3.928 20 30 DHEDLP N#C[C@@H]1CCC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000295932129 334228567 /nfs/dbraw/zinc/22/85/67/334228567.db2.gz FSWMINYXUGCESI-KGLIPLIRSA-N 2 2 314.820 3.698 20 30 DHEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000377713377 337059398 /nfs/dbraw/zinc/05/93/98/337059398.db2.gz WHFGDZZGJUKIPP-GOSISDBHSA-N 2 2 308.429 3.543 20 30 DHEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC000377713377 337059399 /nfs/dbraw/zinc/05/93/99/337059399.db2.gz WHFGDZZGJUKIPP-GOSISDBHSA-N 2 2 308.429 3.543 20 30 DHEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000378185623 337067968 /nfs/dbraw/zinc/06/79/68/337067968.db2.gz ZRDUJZIQPAMEKV-JTOWHCCKSA-N 2 2 321.534 3.852 20 30 DHEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000378185623 337067969 /nfs/dbraw/zinc/06/79/69/337067969.db2.gz ZRDUJZIQPAMEKV-JTOWHCCKSA-N 2 2 321.534 3.852 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2ccccc2OC(F)F)CC1 ZINC000177910789 337158811 /nfs/dbraw/zinc/15/88/11/337158811.db2.gz KCVSMGHPUFNTJX-INIZCTEOSA-N 2 2 324.415 3.979 20 30 DHEDLP C=CCC[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)C1CC1 ZINC000439089436 338360711 /nfs/dbraw/zinc/36/07/11/338360711.db2.gz USSWHFCLBFWFGR-QGZVFWFLSA-N 2 2 308.535 3.682 20 30 DHEDLP N#CC[N@@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459529426 339034236 /nfs/dbraw/zinc/03/42/36/339034236.db2.gz DVBYWBNTAOAKTD-FQEVSTJZSA-N 2 2 311.473 3.667 20 30 DHEDLP N#CC[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459529426 339034237 /nfs/dbraw/zinc/03/42/37/339034237.db2.gz DVBYWBNTAOAKTD-FQEVSTJZSA-N 2 2 311.473 3.667 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000498937631 340026735 /nfs/dbraw/zinc/02/67/35/340026735.db2.gz LCOBRRZQDFQEMW-GOSISDBHSA-N 2 2 305.441 3.548 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CCc2c(F)cccc2F)CC1 ZINC000510741429 340309014 /nfs/dbraw/zinc/30/90/14/340309014.db2.gz YODGMOYCKPAVFU-CQSZACIVSA-N 2 2 308.416 3.526 20 30 DHEDLP C=CCC[C@@H](CC)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000538589884 340834431 /nfs/dbraw/zinc/83/44/31/340834431.db2.gz DQGFDZXYANRAFL-MRXNPFEDSA-N 2 2 316.493 3.769 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC(C3CC3)C3CC3)CC2)cc1 ZINC000539497012 340887569 /nfs/dbraw/zinc/88/75/69/340887569.db2.gz XGJNEOUUOMDNIJ-UHFFFAOYSA-N 2 2 323.484 3.548 20 30 DHEDLP Cc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)[NH+]2CCCC2)cc1 ZINC000248778175 341386666 /nfs/dbraw/zinc/38/66/66/341386666.db2.gz HTMDKXWYIZURPE-HOJAQTOUSA-N 2 2 311.473 3.804 20 30 DHEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000338353301 526076136 /nfs/dbraw/zinc/07/61/36/526076136.db2.gz KKMGJDICWQGAND-MRXNPFEDSA-N 2 2 316.408 3.903 20 30 DHEDLP C[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181387291 526258114 /nfs/dbraw/zinc/25/81/14/526258114.db2.gz VGWRKRYHGIHZRY-JXFKEZNVSA-N 2 2 311.473 3.691 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000180489464 1013096610 /nfs/dbraw/zinc/09/66/10/1013096610.db2.gz GIGZRQUHASNPSQ-KRWDZBQOSA-N 2 2 323.484 3.574 20 30 DHEDLP C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120986065 1013656064 /nfs/dbraw/zinc/65/60/64/1013656064.db2.gz QSLQRBLFOWZNRB-AWEZNQCLSA-N 2 2 320.371 3.734 20 30 DHEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@H](C)C1CCSCC1)C(C)C ZINC000474471150 1015385461 /nfs/dbraw/zinc/38/54/61/1015385461.db2.gz FYLFBUBUFJSSLR-AEFFLSMTSA-N 2 2 310.551 3.806 20 30 DHEDLP C=C(C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000346772939 1016547328 /nfs/dbraw/zinc/54/73/28/1016547328.db2.gz BTSDZDBCUMEEOF-RXVVDRJESA-N 2 2 321.468 3.595 20 30 DHEDLP C=C(C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000346772939 1016547332 /nfs/dbraw/zinc/54/73/32/1016547332.db2.gz BTSDZDBCUMEEOF-RXVVDRJESA-N 2 2 321.468 3.595 20 30 DHEDLP C[C@@H](CC[NH2+][C@@H](C)c1ccc(C#N)cc1F)[NH+]1CCCCC1 ZINC000346884331 1016613133 /nfs/dbraw/zinc/61/31/33/1016613133.db2.gz ZPTFOSFLSDMSOF-GJZGRUSLSA-N 2 2 303.425 3.612 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623407422 1017024237 /nfs/dbraw/zinc/02/42/37/1017024237.db2.gz DHPQYHSFVAKDTQ-UHFFFAOYSA-N 2 2 318.408 3.897 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424319212 1011975499 /nfs/dbraw/zinc/97/54/99/1011975499.db2.gz SBFQSCWDLNMGGZ-ZDUSSCGKSA-N 2 2 308.853 3.650 20 30 DHEDLP C[C@]1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000248763113 1017323429 /nfs/dbraw/zinc/32/34/29/1017323429.db2.gz DWNRHJQJRSWHLD-VAMGGRTRSA-N 2 2 311.473 3.713 20 30 DHEDLP C[C@]1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCC[N@H+]1Cc1ccccc1 ZINC000248763113 1017323440 /nfs/dbraw/zinc/32/34/40/1017323440.db2.gz DWNRHJQJRSWHLD-VAMGGRTRSA-N 2 2 311.473 3.713 20 30 DHEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000657878172 1019731404 /nfs/dbraw/zinc/73/14/04/1019731404.db2.gz FLJDJDCUZPPGMY-WMZOPIPTSA-N 2 2 308.510 3.600 20 30 DHEDLP CC1(C)C[C@@H]([NH2+]CC2(C#N)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171964911 1032935071 /nfs/dbraw/zinc/93/50/71/1032935071.db2.gz NIQPSMUYSULQLC-SFHVURJKSA-N 2 2 311.473 3.713 20 30 DHEDLP CC1(C)C[C@@H]([NH2+]CC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC001171964911 1032935077 /nfs/dbraw/zinc/93/50/77/1032935077.db2.gz NIQPSMUYSULQLC-SFHVURJKSA-N 2 2 311.473 3.713 20 30 DHEDLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(C#N)c1 ZINC000181471530 1021193174 /nfs/dbraw/zinc/19/31/74/1021193174.db2.gz DBJAUUQQIQWRHQ-INIZCTEOSA-N 2 2 316.408 3.654 20 30 DHEDLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc(C#N)cs2)C1 ZINC000092588055 1021770661 /nfs/dbraw/zinc/77/06/61/1021770661.db2.gz YEPKJMVPFGCBGW-HZPDHXFCSA-N 2 2 317.502 3.706 20 30 DHEDLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc(C#N)cs2)C1 ZINC000092588055 1021770670 /nfs/dbraw/zinc/77/06/70/1021770670.db2.gz YEPKJMVPFGCBGW-HZPDHXFCSA-N 2 2 317.502 3.706 20 30 DHEDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000092588055 1021770675 /nfs/dbraw/zinc/77/06/75/1021770675.db2.gz YEPKJMVPFGCBGW-HZPDHXFCSA-N 2 2 317.502 3.706 20 30 DHEDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000092588055 1021770685 /nfs/dbraw/zinc/77/06/85/1021770685.db2.gz YEPKJMVPFGCBGW-HZPDHXFCSA-N 2 2 317.502 3.706 20 30 DHEDLP CCCCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000776746881 1022491778 /nfs/dbraw/zinc/49/17/78/1022491778.db2.gz JKKHJIFJUYIMCF-HKUYNNGSSA-N 2 2 303.494 3.852 20 30 DHEDLP CCCCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000776746881 1022491786 /nfs/dbraw/zinc/49/17/86/1022491786.db2.gz JKKHJIFJUYIMCF-HKUYNNGSSA-N 2 2 303.494 3.852 20 30 DHEDLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C[C@H]1c1ccccc1 ZINC000453361222 1024486822 /nfs/dbraw/zinc/48/68/22/1024486822.db2.gz APKXQZXKHKVUJK-ICSRJNTNSA-N 2 2 323.415 3.622 20 30 DHEDLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C[C@H]1c1ccccc1 ZINC000453361222 1024486826 /nfs/dbraw/zinc/48/68/26/1024486826.db2.gz APKXQZXKHKVUJK-ICSRJNTNSA-N 2 2 323.415 3.622 20 30 DHEDLP N#Cc1csc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000349387003 1024711453 /nfs/dbraw/zinc/71/14/53/1024711453.db2.gz UGBGBTWEJVWJPQ-UHFFFAOYSA-N 2 2 314.458 3.509 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3c(Cl)cccc32)CC1 ZINC000349468678 1024720905 /nfs/dbraw/zinc/72/09/05/1024720905.db2.gz ZGPNNQROWMZNJR-GOSISDBHSA-N 2 2 304.865 3.957 20 30 DHEDLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)C1CC1 ZINC000248994609 1025891684 /nfs/dbraw/zinc/89/16/84/1025891684.db2.gz OMCPHBJOBDHXAG-YZGWKJHDSA-N 2 2 311.473 3.569 20 30 DHEDLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)C1CC1 ZINC000248994609 1025891690 /nfs/dbraw/zinc/89/16/90/1025891690.db2.gz OMCPHBJOBDHXAG-YZGWKJHDSA-N 2 2 311.473 3.569 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421838254 1027063424 /nfs/dbraw/zinc/06/34/24/1027063424.db2.gz VCVOLLIRVMRYTL-CYBMUJFWSA-N 2 2 308.853 3.650 20 30 DHEDLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000365443291 1027949168 /nfs/dbraw/zinc/94/91/68/1027949168.db2.gz NUXXWJJMZHARSR-INIZCTEOSA-N 2 2 302.466 3.802 20 30 DHEDLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000365443291 1027949180 /nfs/dbraw/zinc/94/91/80/1027949180.db2.gz NUXXWJJMZHARSR-INIZCTEOSA-N 2 2 302.466 3.802 20 30 DHEDLP N#CCC[C@@H](C#N)C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000578493436 1028167296 /nfs/dbraw/zinc/16/72/96/1028167296.db2.gz ADSNZCYNSYMNKB-SFHVURJKSA-N 2 2 324.472 3.596 20 30 DHEDLP C=CCC(C)(C)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000815142137 1028399545 /nfs/dbraw/zinc/39/95/45/1028399545.db2.gz NVWYYPIIDMRRIZ-UHFFFAOYSA-N 2 2 315.505 3.913 20 30 DHEDLP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1O ZINC000866231951 1030169420 /nfs/dbraw/zinc/16/94/20/1030169420.db2.gz AVCYQSWRRSVZOK-HOTGVXAUSA-N 2 2 315.461 3.569 20 30 DHEDLP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1O ZINC000866231951 1030169425 /nfs/dbraw/zinc/16/94/25/1030169425.db2.gz AVCYQSWRRSVZOK-HOTGVXAUSA-N 2 2 315.461 3.569 20 30 DHEDLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]CCCCC#N ZINC000360948205 1031637770 /nfs/dbraw/zinc/63/77/70/1031637770.db2.gz PWEMHUNHOKHBPZ-LJQANCHMSA-N 2 2 313.489 3.743 20 30 DHEDLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)[NH2+]CCCCC#N ZINC000360948205 1031637775 /nfs/dbraw/zinc/63/77/75/1031637775.db2.gz PWEMHUNHOKHBPZ-LJQANCHMSA-N 2 2 313.489 3.743 20 30 DHEDLP C[C@@H](Cc1cccc(C#N)c1)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001171201095 1031747198 /nfs/dbraw/zinc/74/71/98/1031747198.db2.gz HUVLTBDABIZQSA-HNNXBMFYSA-N 2 2 316.408 3.684 20 30 DHEDLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCC(CC#N)CC1 ZINC001173336712 1033692673 /nfs/dbraw/zinc/69/26/73/1033692673.db2.gz JGORBTMUFPECPB-UHFFFAOYSA-N 2 2 308.429 3.777 20 30 DHEDLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCC(CC#N)CC1 ZINC001173336712 1033692677 /nfs/dbraw/zinc/69/26/77/1033692677.db2.gz JGORBTMUFPECPB-UHFFFAOYSA-N 2 2 308.429 3.777 20 30 DHEDLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000554552321 1034203588 /nfs/dbraw/zinc/20/35/88/1034203588.db2.gz SFNOAPUNEWUIMI-QZTJIDSGSA-N 2 2 324.472 3.594 20 30 DHEDLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000554552321 1034203603 /nfs/dbraw/zinc/20/36/03/1034203603.db2.gz SFNOAPUNEWUIMI-QZTJIDSGSA-N 2 2 324.472 3.594 20 30 DHEDLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1C#N ZINC000482135123 1035058373 /nfs/dbraw/zinc/05/83/73/1035058373.db2.gz MRUZWSCSCSHUDA-APWZRJJASA-N 2 2 317.452 3.688 20 30 DHEDLP CC(C)(C#N)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000903101388 1035281387 /nfs/dbraw/zinc/28/13/87/1035281387.db2.gz GVPMCZANISAZRK-GUDVDZBRSA-N 2 2 311.473 3.569 20 30 DHEDLP CC(C)(C#N)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000903101388 1035281388 /nfs/dbraw/zinc/28/13/88/1035281388.db2.gz GVPMCZANISAZRK-GUDVDZBRSA-N 2 2 311.473 3.569 20 30 DHEDLP CC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(C#N)cc1 ZINC000774135878 1036195296 /nfs/dbraw/zinc/19/52/96/1036195296.db2.gz WIVZXPKVPSSQMH-QZTJIDSGSA-N 2 2 310.445 3.910 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000177909126 1037281600 /nfs/dbraw/zinc/28/16/00/1037281600.db2.gz QHOVKAVHIZFMNL-LJQANCHMSA-N 2 2 304.453 3.633 20 30 DHEDLP C[C@H](CCC#N)C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000602671101 1041140371 /nfs/dbraw/zinc/14/03/71/1041140371.db2.gz JGYFHLHLWVKNAB-CYBMUJFWSA-N 2 2 302.809 3.555 20 30 DHEDLP CC[NH+](CC)[C@H](C[NH2+]CC(C)(C)CCC#N)c1ccccc1 ZINC000174238176 332850032 /nfs/dbraw/zinc/85/00/32/332850032.db2.gz AIHMEDWXYZYUCM-GOSISDBHSA-N 2 2 301.478 3.989 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](CC(C)C)c2ccccn2)CC1 ZINC000152944541 332332478 /nfs/dbraw/zinc/33/24/78/332332478.db2.gz XOHHIIBWDRSSQE-LJQANCHMSA-N 2 2 301.478 3.799 20 30 DHEDLP CC(C)(CCC#N)C[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000174238355 333083866 /nfs/dbraw/zinc/08/38/66/333083866.db2.gz VPUXRCPKZLBZJX-HNNXBMFYSA-N 2 2 305.491 3.805 20 30 DHEDLP C[C@H]1C[C@@H]([NH2+]CC2CCC(C#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000281469910 334126393 /nfs/dbraw/zinc/12/63/93/334126393.db2.gz BMEHEPZIVHJDEE-USWSCHJFSA-N 2 2 311.473 3.569 20 30 DHEDLP C[C@H]1C[C@@H]([NH2+]CC2CCC(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000281469910 334126395 /nfs/dbraw/zinc/12/63/95/334126395.db2.gz BMEHEPZIVHJDEE-USWSCHJFSA-N 2 2 311.473 3.569 20 30 DHEDLP CCc1[nH+]c2ccccc2n1C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000293825944 334202645 /nfs/dbraw/zinc/20/26/45/334202645.db2.gz PISNGJACYMSZRP-RDJZCZTQSA-N 2 2 322.456 3.928 20 30 DHEDLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(C#N)cc1 ZINC000344090523 335217041 /nfs/dbraw/zinc/21/70/41/335217041.db2.gz CHJPTQKECUGAAD-OAHLLOKOSA-N 2 2 302.381 3.595 20 30 DHEDLP CC1(C)CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000344293733 335237637 /nfs/dbraw/zinc/23/76/37/335237637.db2.gz IMZINAHFYYOAQH-LJQANCHMSA-N 2 2 311.473 3.691 20 30 DHEDLP C[NH+](CCCCC#N)[C@H]1CCCC[C@@H]1[N@H+](C)CCCCC#N ZINC000352969636 336380102 /nfs/dbraw/zinc/38/01/02/336380102.db2.gz SIPXVGWFPGZVAI-ROUUACIJSA-N 2 2 304.482 3.549 20 30 DHEDLP C[NH+](CCCCC#N)[C@H]1CCCC[C@@H]1[N@@H+](C)CCCCC#N ZINC000352969636 336380103 /nfs/dbraw/zinc/38/01/03/336380103.db2.gz SIPXVGWFPGZVAI-ROUUACIJSA-N 2 2 304.482 3.549 20 30 DHEDLP C=CCC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccco1 ZINC000367750721 336829194 /nfs/dbraw/zinc/82/91/94/336829194.db2.gz BNGBRQACFXJMSW-KRWDZBQOSA-N 2 2 311.429 3.941 20 30 DHEDLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000377392672 337051721 /nfs/dbraw/zinc/05/17/21/337051721.db2.gz PZYNQMYTCGPWHK-NNZWXOEDSA-N 2 2 311.473 3.741 20 30 DHEDLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000377392672 337051722 /nfs/dbraw/zinc/05/17/22/337051722.db2.gz PZYNQMYTCGPWHK-NNZWXOEDSA-N 2 2 311.473 3.741 20 30 DHEDLP CC(C)(CCC#N)C[NH2+]C[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000360024173 337084022 /nfs/dbraw/zinc/08/40/22/337084022.db2.gz UDGUXYMUUVIJOJ-IBGZPJMESA-N 2 2 313.489 3.613 20 30 DHEDLP CC(C)(CCC#N)C[NH2+]C[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC000360024173 337084023 /nfs/dbraw/zinc/08/40/23/337084023.db2.gz UDGUXYMUUVIJOJ-IBGZPJMESA-N 2 2 313.489 3.613 20 30 DHEDLP CC(C)(CCC#N)C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000174280970 337140268 /nfs/dbraw/zinc/14/02/68/337140268.db2.gz HBRDUTMVUVIBGR-UHFFFAOYSA-N 2 2 317.452 3.710 20 30 DHEDLP CC(C)(CCC#N)C[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000174383202 337141337 /nfs/dbraw/zinc/14/13/37/337141337.db2.gz GGBMCAFTKHECEN-UHFFFAOYSA-N 2 2 323.550 3.658 20 30 DHEDLP CC(C)(C#N)c1ccccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000135188772 337450892 /nfs/dbraw/zinc/45/08/92/337450892.db2.gz WEFBFIKNERMSIQ-UHFFFAOYSA-N 2 2 311.473 3.548 20 30 DHEDLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000428441207 338051756 /nfs/dbraw/zinc/05/17/56/338051756.db2.gz PGQJPRHDSSBKGC-VQIMIIECSA-N 2 2 317.452 3.688 20 30 DHEDLP C=CCC[C@@H](CC)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429437456 338081050 /nfs/dbraw/zinc/08/10/50/338081050.db2.gz ZZDZKFVUYBNFRP-WOJBJXKFSA-N 2 2 316.489 3.612 20 30 DHEDLP C=CCC[C@@H](CC)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429437456 338081051 /nfs/dbraw/zinc/08/10/51/338081051.db2.gz ZZDZKFVUYBNFRP-WOJBJXKFSA-N 2 2 316.489 3.612 20 30 DHEDLP C=CCC[C@H](CC)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429437453 338081072 /nfs/dbraw/zinc/08/10/72/338081072.db2.gz ZZDZKFVUYBNFRP-PMACEKPBSA-N 2 2 316.489 3.612 20 30 DHEDLP C=CCC[C@H](CC)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429437453 338081073 /nfs/dbraw/zinc/08/10/73/338081073.db2.gz ZZDZKFVUYBNFRP-PMACEKPBSA-N 2 2 316.489 3.612 20 30 DHEDLP C[C@@H](CC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000453423011 338841207 /nfs/dbraw/zinc/84/12/07/338841207.db2.gz MCSABXSWJJZRCQ-INIZCTEOSA-N 2 2 313.489 3.937 20 30 DHEDLP C=CC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000507927856 340235974 /nfs/dbraw/zinc/23/59/74/340235974.db2.gz AWNJOIQOEAVFJJ-UHFFFAOYSA-N 2 2 312.379 3.788 20 30 DHEDLP C=CC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000507927856 340235975 /nfs/dbraw/zinc/23/59/75/340235975.db2.gz AWNJOIQOEAVFJJ-UHFFFAOYSA-N 2 2 312.379 3.788 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CCc2c(F)cccc2F)CC1 ZINC000510741428 340309135 /nfs/dbraw/zinc/30/91/35/340309135.db2.gz YODGMOYCKPAVFU-AWEZNQCLSA-N 2 2 308.416 3.526 20 30 DHEDLP Clc1cccc(C#CC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000131323125 341076206 /nfs/dbraw/zinc/07/62/06/341076206.db2.gz GLPXPUCZDSINBP-IBGZPJMESA-N 2 2 316.876 3.642 20 30 DHEDLP Clc1cccc(C#CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000131323125 341076207 /nfs/dbraw/zinc/07/62/07/341076207.db2.gz GLPXPUCZDSINBP-IBGZPJMESA-N 2 2 316.876 3.642 20 30 DHEDLP C[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181387307 524172357 /nfs/dbraw/zinc/17/23/57/524172357.db2.gz VGWRKRYHGIHZRY-OXQOHEQNSA-N 2 2 311.473 3.691 20 30 DHEDLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cc(C#N)cs3)C2)CC1 ZINC000092587843 1020099654 /nfs/dbraw/zinc/09/96/54/1020099654.db2.gz LWDRXELELDCQSB-INIZCTEOSA-N 2 2 317.502 3.564 20 30 DHEDLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc(C#N)cs3)C2)CC1 ZINC000092587843 1020099668 /nfs/dbraw/zinc/09/96/68/1020099668.db2.gz LWDRXELELDCQSB-INIZCTEOSA-N 2 2 317.502 3.564 20 30 DHEDLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cc(C#N)cs3)C2)CC1 ZINC000092587844 1020099714 /nfs/dbraw/zinc/09/97/14/1020099714.db2.gz LWDRXELELDCQSB-MRXNPFEDSA-N 2 2 317.502 3.564 20 30 DHEDLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cc(C#N)cs3)C2)CC1 ZINC000092587844 1020099723 /nfs/dbraw/zinc/09/97/23/1020099723.db2.gz LWDRXELELDCQSB-MRXNPFEDSA-N 2 2 317.502 3.564 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccccc2OC(F)F)CC1 ZINC000152984257 1021910314 /nfs/dbraw/zinc/91/03/14/1021910314.db2.gz GHIRGBCCNQWTHN-CQSZACIVSA-N 2 2 324.415 3.979 20 30 DHEDLP CCCCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000776746887 1022492658 /nfs/dbraw/zinc/49/26/58/1022492658.db2.gz JKKHJIFJUYIMCF-MJGOQNOKSA-N 2 2 303.494 3.852 20 30 DHEDLP CCCCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000776746887 1022492676 /nfs/dbraw/zinc/49/26/76/1022492676.db2.gz JKKHJIFJUYIMCF-MJGOQNOKSA-N 2 2 303.494 3.852 20 30 DHEDLP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000651741417 1023509607 /nfs/dbraw/zinc/50/96/07/1023509607.db2.gz JKCMXTRMPXANEL-QKLQHJQFSA-N 2 2 313.489 3.941 20 30 DHEDLP C[C@@H](CCCC#N)[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001172505354 1033235134 /nfs/dbraw/zinc/23/51/34/1033235134.db2.gz LVXFLJBNYNPYFY-INIZCTEOSA-N 2 2 317.452 3.804 20 30 DHEDLP C[C@@H](CCCC#N)[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001172505354 1033235141 /nfs/dbraw/zinc/23/51/41/1033235141.db2.gz LVXFLJBNYNPYFY-INIZCTEOSA-N 2 2 317.452 3.804 20 30 DHEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CC2 ZINC000353427930 1025067196 /nfs/dbraw/zinc/06/71/96/1025067196.db2.gz PPKDMQLADYXJED-LJQANCHMSA-N 2 2 314.392 3.521 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000367753554 1028235861 /nfs/dbraw/zinc/23/58/61/1028235861.db2.gz ZOTJSGQRINZZAY-QGZVFWFLSA-N 2 2 320.864 3.794 20 30 DHEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCC(C)(C)C#N ZINC000370000466 1028551301 /nfs/dbraw/zinc/55/13/01/1028551301.db2.gz YITWYDQVWZZTCD-INIZCTEOSA-N 2 2 302.466 3.801 20 30 DHEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000370000466 1028551307 /nfs/dbraw/zinc/55/13/07/1028551307.db2.gz YITWYDQVWZZTCD-INIZCTEOSA-N 2 2 302.466 3.801 20 30 DHEDLP C=CC[C@H](C)[C@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373486516 1029059388 /nfs/dbraw/zinc/05/93/88/1029059388.db2.gz SCNVGKLHPMKKEF-VRLRAXNCSA-N 2 2 318.427 3.982 20 30 DHEDLP C=CC[C@@H](C)[C@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373486515 1029060092 /nfs/dbraw/zinc/06/00/92/1029060092.db2.gz SCNVGKLHPMKKEF-SQHUISNBSA-N 2 2 318.427 3.982 20 30 DHEDLP C=CCC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccco1 ZINC000817942339 1029289398 /nfs/dbraw/zinc/28/93/98/1029289398.db2.gz OHYKEUPTBHYOSV-QZTJIDSGSA-N 2 2 313.445 3.643 20 30 DHEDLP C=CCC[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533532767 1030409314 /nfs/dbraw/zinc/40/93/14/1030409314.db2.gz KXKOKPMYEKHITP-UHFFFAOYSA-N 2 2 316.493 3.775 20 30 DHEDLP C=CCC[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533532767 1030409323 /nfs/dbraw/zinc/40/93/23/1030409323.db2.gz KXKOKPMYEKHITP-UHFFFAOYSA-N 2 2 316.493 3.775 20 30 DHEDLP CC[NH+]1CCN(c2ccc([NH2+][C@@H](C)CC(C)(C)C#N)cc2)CC1 ZINC000925730064 1030468128 /nfs/dbraw/zinc/46/81/28/1030468128.db2.gz NJHFFSYQUHRRMM-INIZCTEOSA-N 2 2 314.477 3.569 20 30 DHEDLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(C#N)cc1F ZINC000358596016 1030551941 /nfs/dbraw/zinc/55/19/41/1030551941.db2.gz WAIJFELFHXUOBZ-CQSZACIVSA-N 2 2 312.392 3.635 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC[C@@H]3C=CCC3)CC2)cc1 ZINC000872108653 1031499869 /nfs/dbraw/zinc/49/98/69/1031499869.db2.gz WJJXGUFKDJHRDH-GOSISDBHSA-N 2 2 323.484 3.859 20 30 DHEDLP CC[C@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)[NH+]1CCCC1 ZINC000360838091 1031584433 /nfs/dbraw/zinc/58/44/33/1031584433.db2.gz SSSWRVZZEFZVJM-QUCCMNQESA-N 2 2 311.473 3.790 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000152962775 1033553356 /nfs/dbraw/zinc/55/33/56/1033553356.db2.gz GRSDZZLLWASUCB-SFHVURJKSA-N 2 2 318.436 3.670 20 30 DHEDLP Cc1cc(C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)ccc1C#N ZINC001183684719 1036648311 /nfs/dbraw/zinc/64/83/11/1036648311.db2.gz HGOUUYYMHMDTMC-UHFFFAOYSA-N 2 2 311.473 3.707 20 30 DHEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCC[C@H](OC)CC1)C(C)C ZINC001199197758 1037213297 /nfs/dbraw/zinc/21/32/97/1037213297.db2.gz JDWPMLICACXDMR-GBESFXJTSA-N 2 2 308.510 3.622 20 30 DHEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000775376465 1038300906 /nfs/dbraw/zinc/30/09/06/1038300906.db2.gz QUWYYWPXXXLYNO-MOPGFXCFSA-N 2 2 322.456 3.837 20 30 DHEDLP C[C@]1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H]2C[C@H]2C1 ZINC000599006464 1038981349 /nfs/dbraw/zinc/98/13/49/1038981349.db2.gz XIHGQXPTZCYFEH-KXTWHKPSSA-N 2 2 323.484 3.548 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCCC34CC4)CC2)cc1 ZINC000599017577 1038999126 /nfs/dbraw/zinc/99/91/26/1038999126.db2.gz QYPXAHUQMUHXOI-LJQANCHMSA-N 2 2 323.484 3.693 20 30 DHEDLP CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000594523258 1039830428 /nfs/dbraw/zinc/83/04/28/1039830428.db2.gz OJVGJPFBZHTBCH-OALUTQOASA-N 2 2 311.473 3.594 20 30 DHEDLP CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000594523258 1039830454 /nfs/dbraw/zinc/83/04/54/1039830454.db2.gz OJVGJPFBZHTBCH-OALUTQOASA-N 2 2 311.473 3.594 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000286321344 335032902 /nfs/dbraw/zinc/03/29/02/335032902.db2.gz XOVZZRPXWLLEGP-GOSISDBHSA-N 2 2 316.493 3.661 20 30 DHEDLP CCc1ccc([C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)[NH+](CC)CC)cc1 ZINC000559871910 332287678 /nfs/dbraw/zinc/28/76/78/332287678.db2.gz QOUTUYMZXUJNQJ-IHPCNDPISA-N 2 2 313.489 3.914 20 30 DHEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@H]1CCCC12CCOCC2)C(C)C ZINC000502255711 333287420 /nfs/dbraw/zinc/28/74/20/333287420.db2.gz NKEJFICTJODAED-OALUTQOASA-N 2 2 320.521 3.624 20 30 DHEDLP C=CC[C@H](Cc1ccccc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000414297992 333935685 /nfs/dbraw/zinc/93/56/85/333935685.db2.gz IFSCWQIRTLOUCK-HXUWFJFHSA-N 2 2 321.468 3.827 20 30 DHEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000280316191 334116280 /nfs/dbraw/zinc/11/62/80/334116280.db2.gz XNSTUXNMKYMQLZ-UHFFFAOYSA-N 2 2 310.445 3.922 20 30 DHEDLP C[C@@H]1C[C@@H]([NH2+]CC2CCC(C#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000281469899 334126374 /nfs/dbraw/zinc/12/63/74/334126374.db2.gz BMEHEPZIVHJDEE-CKVGWXAMSA-N 2 2 311.473 3.569 20 30 DHEDLP C[C@@H]1C[C@@H]([NH2+]CC2CCC(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000281469899 334126375 /nfs/dbraw/zinc/12/63/75/334126375.db2.gz BMEHEPZIVHJDEE-CKVGWXAMSA-N 2 2 311.473 3.569 20 30 DHEDLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(C#N)cc1 ZINC000344090521 335217009 /nfs/dbraw/zinc/21/70/09/335217009.db2.gz CHJPTQKECUGAAD-HNNXBMFYSA-N 2 2 302.381 3.595 20 30 DHEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2C)CC1 ZINC000190950110 335319945 /nfs/dbraw/zinc/31/99/45/335319945.db2.gz FNMOSSUIUJMIMW-UHFFFAOYSA-N 2 2 312.379 3.754 20 30 DHEDLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2C#N)C1 ZINC000352804214 336240853 /nfs/dbraw/zinc/24/08/53/336240853.db2.gz ZWPZQNSPCOJOMI-QZTJIDSGSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2C#N)C1 ZINC000352804214 336240854 /nfs/dbraw/zinc/24/08/54/336240854.db2.gz ZWPZQNSPCOJOMI-QZTJIDSGSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000352804214 336240855 /nfs/dbraw/zinc/24/08/55/336240855.db2.gz ZWPZQNSPCOJOMI-QZTJIDSGSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000352804214 336240856 /nfs/dbraw/zinc/24/08/56/336240856.db2.gz ZWPZQNSPCOJOMI-QZTJIDSGSA-N 2 2 311.473 3.645 20 30 DHEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]CCCc1[nH]c3ccccc3[nH+]1)CC2 ZINC000353429134 336417326 /nfs/dbraw/zinc/41/73/26/336417326.db2.gz SENJEZJNAHCANT-QGZVFWFLSA-N 2 2 316.408 3.644 20 30 DHEDLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367785724 336829699 /nfs/dbraw/zinc/82/96/99/336829699.db2.gz WIJMRPXQFUWUDN-INIZCTEOSA-N 2 2 316.408 3.773 20 30 DHEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000377392671 337051750 /nfs/dbraw/zinc/05/17/50/337051750.db2.gz PZYNQMYTCGPWHK-KMEYYKJISA-N 2 2 311.473 3.741 20 30 DHEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000377392671 337051751 /nfs/dbraw/zinc/05/17/51/337051751.db2.gz PZYNQMYTCGPWHK-KMEYYKJISA-N 2 2 311.473 3.741 20 30 DHEDLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(C#N)c1 ZINC000174431119 337141880 /nfs/dbraw/zinc/14/18/80/337141880.db2.gz ZGADIUVSYGNLQY-AWEZNQCLSA-N 2 2 320.371 3.734 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2OC(F)F)CC1 ZINC000177907991 337158898 /nfs/dbraw/zinc/15/88/98/337158898.db2.gz BIDMZCGLIOLRDA-ZDUSSCGKSA-N 2 2 310.388 3.589 20 30 DHEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000442892199 338438796 /nfs/dbraw/zinc/43/87/96/338438796.db2.gz USHSLIXUXQXYLF-QZTJIDSGSA-N 2 2 303.494 3.705 20 30 DHEDLP Cn1c2ccccc2[nH+]c1CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449219426 338603418 /nfs/dbraw/zinc/60/34/18/338603418.db2.gz ALRGFSNHLBNREC-UHFFFAOYSA-N 2 2 310.445 3.568 20 30 DHEDLP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000459479413 339031656 /nfs/dbraw/zinc/03/16/56/339031656.db2.gz OATDJZPTMVNRCM-SJORKVTESA-N 2 2 310.445 3.797 20 30 DHEDLP CC[N@H+](C[C@H](C)C#N)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000509776174 340278816 /nfs/dbraw/zinc/27/88/16/340278816.db2.gz XKLLMKBGUZCOAS-QGZVFWFLSA-N 2 2 301.478 3.626 20 30 DHEDLP CC[N@@H+](C[C@H](C)C#N)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000509776174 340278817 /nfs/dbraw/zinc/27/88/17/340278817.db2.gz XKLLMKBGUZCOAS-QGZVFWFLSA-N 2 2 301.478 3.626 20 30 DHEDLP CC[NH+](C[C@H](C)C#N)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000509776174 340278818 /nfs/dbraw/zinc/27/88/18/340278818.db2.gz XKLLMKBGUZCOAS-QGZVFWFLSA-N 2 2 301.478 3.626 20 30 DHEDLP CC[NH+](C[C@H](C)C#N)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000509776174 340278819 /nfs/dbraw/zinc/27/88/19/340278819.db2.gz XKLLMKBGUZCOAS-QGZVFWFLSA-N 2 2 301.478 3.626 20 30 DHEDLP C=C(C)C[NH2+]Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000512403554 340360693 /nfs/dbraw/zinc/36/06/93/340360693.db2.gz MGOSHZQJGABOPG-UHFFFAOYSA-N 2 2 321.424 3.887 20 30 DHEDLP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(C#N)cc1F ZINC000512636495 340370331 /nfs/dbraw/zinc/37/03/31/340370331.db2.gz LPGIOJVIBKTBIA-AWEZNQCLSA-N 2 2 315.436 3.755 20 30 DHEDLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC000154726424 521023306 /nfs/dbraw/zinc/02/33/06/521023306.db2.gz XHXCAYJNULSVNA-GOSISDBHSA-N 2 2 311.473 3.502 20 30 DHEDLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC000154726424 521023318 /nfs/dbraw/zinc/02/33/18/521023318.db2.gz XHXCAYJNULSVNA-GOSISDBHSA-N 2 2 311.473 3.502 20 30 DHEDLP C[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181584174 524149476 /nfs/dbraw/zinc/14/94/76/524149476.db2.gz QRASHNLFERTNAO-OXJNMPFZSA-N 2 2 311.473 3.691 20 30 DHEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000181752357 525402519 /nfs/dbraw/zinc/40/25/19/525402519.db2.gz QDZFYFDLBQGDLF-MRXNPFEDSA-N 2 2 311.473 3.691 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000119127892 1032265712 /nfs/dbraw/zinc/26/57/12/1032265712.db2.gz CMFMEBUYRBTEMB-UHFFFAOYSA-N 2 2 314.473 3.530 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424319211 1011976266 /nfs/dbraw/zinc/97/62/66/1011976266.db2.gz SBFQSCWDLNMGGZ-CYBMUJFWSA-N 2 2 308.853 3.650 20 30 DHEDLP C[N@H+](Cc1ccc(C#N)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322144 1018930691 /nfs/dbraw/zinc/93/06/91/1018930691.db2.gz BTPFDMXPWNIPIG-UHFFFAOYSA-N 2 2 319.452 3.655 20 30 DHEDLP C[N@@H+](Cc1ccc(C#N)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322144 1018930700 /nfs/dbraw/zinc/93/07/00/1018930700.db2.gz BTPFDMXPWNIPIG-UHFFFAOYSA-N 2 2 319.452 3.655 20 30 DHEDLP N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000618740978 1021502147 /nfs/dbraw/zinc/50/21/47/1021502147.db2.gz AOZOWJOZLLUREZ-GOSISDBHSA-N 2 2 320.421 3.583 20 30 DHEDLP C(#Cc1ccccc1)C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000892738164 1021588754 /nfs/dbraw/zinc/58/87/54/1021588754.db2.gz SIHAZLDNKVOIKL-LJQANCHMSA-N 2 2 324.493 3.601 20 30 DHEDLP C(#Cc1ccccc1)C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000892738164 1021588766 /nfs/dbraw/zinc/58/87/66/1021588766.db2.gz SIHAZLDNKVOIKL-LJQANCHMSA-N 2 2 324.493 3.601 20 30 DHEDLP C[N@@H+]1CCC[C@H](C[NH2+]CC#Cc2ccccc2)[C@H]1c1cccs1 ZINC000893018116 1021803053 /nfs/dbraw/zinc/80/30/53/1021803053.db2.gz CJQAKSRPEAIPQW-QUCCMNQESA-N 2 2 324.493 3.772 20 30 DHEDLP C[N@H+]1CCC[C@H](C[NH2+]CC#Cc2ccccc2)[C@H]1c1cccs1 ZINC000893018116 1021803066 /nfs/dbraw/zinc/80/30/66/1021803066.db2.gz CJQAKSRPEAIPQW-QUCCMNQESA-N 2 2 324.493 3.772 20 30 DHEDLP C#CCOc1ccc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000162859864 1023976091 /nfs/dbraw/zinc/97/60/91/1023976091.db2.gz XSGXUDFCIJFWGP-QGZVFWFLSA-N 2 2 323.440 3.637 20 30 DHEDLP CC(C)(C#N)c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000614169578 1025796109 /nfs/dbraw/zinc/79/61/09/1025796109.db2.gz FLOAWGLDXVIPKK-UHFFFAOYSA-N 2 2 308.429 3.521 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000091334227 1026101970 /nfs/dbraw/zinc/10/19/70/1026101970.db2.gz FBRRNSCOVCCOTL-LJQANCHMSA-N 2 2 302.462 3.632 20 30 DHEDLP N#CC1CCC(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000931706201 1027225311 /nfs/dbraw/zinc/22/53/11/1027225311.db2.gz AXECQMWGJZEHOO-FAFZWHIHSA-N 2 2 308.429 3.544 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000575436344 1027486641 /nfs/dbraw/zinc/48/66/41/1027486641.db2.gz NWRMGMOTCGYWER-IBGZPJMESA-N 2 2 318.892 3.901 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@@H]3CC=CCC3)CC2)cc1 ZINC000527787982 1027885442 /nfs/dbraw/zinc/88/54/42/1027885442.db2.gz KBOCPUNXUIEFIU-GOSISDBHSA-N 2 2 323.484 3.859 20 30 DHEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)CC2 ZINC000527948832 1027983800 /nfs/dbraw/zinc/98/38/00/1027983800.db2.gz MIAROXJQKOSQRP-ICSRJNTNSA-N 2 2 309.457 3.542 20 30 DHEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)CC2 ZINC000527948832 1027983813 /nfs/dbraw/zinc/98/38/13/1027983813.db2.gz MIAROXJQKOSQRP-ICSRJNTNSA-N 2 2 309.457 3.542 20 30 DHEDLP CC1(C#N)CCC([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000449152589 1028403326 /nfs/dbraw/zinc/40/33/26/1028403326.db2.gz GRQJJLSMHQCTOV-IOJLRTSASA-N 2 2 311.473 3.713 20 30 DHEDLP CC1(C#N)CCC([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000449152589 1028403332 /nfs/dbraw/zinc/40/33/32/1028403332.db2.gz GRQJJLSMHQCTOV-IOJLRTSASA-N 2 2 311.473 3.713 20 30 DHEDLP C=CCCCCC[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000369643458 1028511968 /nfs/dbraw/zinc/51/19/68/1028511968.db2.gz ZRZSOXLZBGTSDV-OALUTQOASA-N 2 2 301.478 3.753 20 30 DHEDLP C=CCCCCC[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000369643458 1028511973 /nfs/dbraw/zinc/51/19/73/1028511973.db2.gz ZRZSOXLZBGTSDV-OALUTQOASA-N 2 2 301.478 3.753 20 30 DHEDLP C=CCCCCC[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000369643458 1028511982 /nfs/dbraw/zinc/51/19/82/1028511982.db2.gz ZRZSOXLZBGTSDV-OALUTQOASA-N 2 2 301.478 3.753 20 30 DHEDLP C=CCCCCC[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000369643458 1028511988 /nfs/dbraw/zinc/51/19/88/1028511988.db2.gz ZRZSOXLZBGTSDV-OALUTQOASA-N 2 2 301.478 3.753 20 30 DHEDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000371380040 1028698525 /nfs/dbraw/zinc/69/85/25/1028698525.db2.gz QCWWPYPBUUOPIM-MRXNPFEDSA-N 2 2 302.466 3.973 20 30 DHEDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000371380040 1028698528 /nfs/dbraw/zinc/69/85/28/1028698528.db2.gz QCWWPYPBUUOPIM-MRXNPFEDSA-N 2 2 302.466 3.973 20 30 DHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc3c(ccnc3Cl)o2)CC1 ZINC000866260647 1030184433 /nfs/dbraw/zinc/18/44/33/1030184433.db2.gz HYBOCUGITQLJJS-GFCCVEGCSA-N 2 2 319.836 3.782 20 30 DHEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1F ZINC000358571721 1030540413 /nfs/dbraw/zinc/54/04/13/1030540413.db2.gz PKAUJLAAIVHWIW-HUUCEWRRSA-N 2 2 303.425 3.612 20 30 DHEDLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1F ZINC000358571721 1030540419 /nfs/dbraw/zinc/54/04/19/1030540419.db2.gz PKAUJLAAIVHWIW-HUUCEWRRSA-N 2 2 303.425 3.612 20 30 DHEDLP CC(C)(C#N)c1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897980567 1031910426 /nfs/dbraw/zinc/91/04/26/1031910426.db2.gz CENBJPYMXMWWCJ-UHFFFAOYSA-N 2 2 311.473 3.594 20 30 DHEDLP C=CCOc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000539818364 1035872087 /nfs/dbraw/zinc/87/20/87/1035872087.db2.gz XHBDHSMJUYBTPD-FUHWJXTLSA-N 2 2 302.462 3.556 20 30 DHEDLP C=CCOc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000539818364 1035872112 /nfs/dbraw/zinc/87/21/12/1035872112.db2.gz XHBDHSMJUYBTPD-FUHWJXTLSA-N 2 2 302.462 3.556 20 30 DHEDLP C=CCOc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000539818364 1035872128 /nfs/dbraw/zinc/87/21/28/1035872128.db2.gz XHBDHSMJUYBTPD-FUHWJXTLSA-N 2 2 302.462 3.556 20 30 DHEDLP C=CCOc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000539818364 1035872146 /nfs/dbraw/zinc/87/21/46/1035872146.db2.gz XHBDHSMJUYBTPD-FUHWJXTLSA-N 2 2 302.462 3.556 20 30 DHEDLP CCCCCCCC[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001201813168 1037899922 /nfs/dbraw/zinc/89/99/22/1037899922.db2.gz BLSNEVKYOOAXMC-UHFFFAOYSA-N 2 2 316.449 3.638 20 30 DHEDLP CCCCCCCC[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001201813168 1037899946 /nfs/dbraw/zinc/89/99/46/1037899946.db2.gz BLSNEVKYOOAXMC-UHFFFAOYSA-N 2 2 316.449 3.638 20 30 DHEDLP CCCCCCCC[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001201804762 1037901552 /nfs/dbraw/zinc/90/15/52/1037901552.db2.gz RXBBFUPOPZMVMI-WOJBJXKFSA-N 2 2 315.505 3.806 20 30 DHEDLP C=C(C)[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000186450384 1037906087 /nfs/dbraw/zinc/90/60/87/1037906087.db2.gz HGVLGIQAORIBCC-RKVPGOIHSA-N 2 2 306.400 3.798 20 30 DHEDLP C=C(C)[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000186450384 1037906097 /nfs/dbraw/zinc/90/60/97/1037906097.db2.gz HGVLGIQAORIBCC-RKVPGOIHSA-N 2 2 306.400 3.798 20 30 DHEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000280693293 334969861 /nfs/dbraw/zinc/96/98/61/334969861.db2.gz BKHUCEPQLLWKOP-WDYCEAGBSA-N 2 2 311.429 3.504 20 30 DHEDLP C[C@H](c1cccc(C#N)c1)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285559286 131181130 /nfs/dbraw/zinc/18/11/30/131181130.db2.gz HDIOKGGAEXIZFI-MRXNPFEDSA-N 2 2 311.429 3.666 20 30 DHEDLP C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285559286 131181131 /nfs/dbraw/zinc/18/11/31/131181131.db2.gz HDIOKGGAEXIZFI-MRXNPFEDSA-N 2 2 311.429 3.666 20 30 DHEDLP C[C@H](c1cccc(C#N)c1)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285559286 131181133 /nfs/dbraw/zinc/18/11/33/131181133.db2.gz HDIOKGGAEXIZFI-MRXNPFEDSA-N 2 2 311.429 3.666 20 30 DHEDLP C[C@H](c1cccc(C#N)c1)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285559286 131181135 /nfs/dbraw/zinc/18/11/35/131181135.db2.gz HDIOKGGAEXIZFI-MRXNPFEDSA-N 2 2 311.429 3.666 20 30 DHEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000151159760 332200871 /nfs/dbraw/zinc/20/08/71/332200871.db2.gz NNDARUPKFXYFQB-OAHLLOKOSA-N 2 2 319.836 3.755 20 30 DHEDLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000182174552 333037237 /nfs/dbraw/zinc/03/72/37/333037237.db2.gz XQJUBLVSSGERQG-SJORKVTESA-N 2 2 307.441 3.729 20 30 DHEDLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000182174552 333037239 /nfs/dbraw/zinc/03/72/39/333037239.db2.gz XQJUBLVSSGERQG-SJORKVTESA-N 2 2 307.441 3.729 20 30 DHEDLP N#CCCCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000178643413 333141673 /nfs/dbraw/zinc/14/16/73/333141673.db2.gz KIHJZQRWAGAWKD-UHFFFAOYSA-N 2 2 305.853 3.588 20 30 DHEDLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(OCC#N)cc1 ZINC000181672480 333171268 /nfs/dbraw/zinc/17/12/68/333171268.db2.gz UGKSTOJGLYDZOT-MRXNPFEDSA-N 2 2 324.428 3.527 20 30 DHEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3(C4CCC4)CCC3)CC2)cc1 ZINC000414194197 333912225 /nfs/dbraw/zinc/91/22/25/333912225.db2.gz UMDVPSUTLSKHNK-UHFFFAOYSA-N 2 2 323.484 3.835 20 30 DHEDLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2C#N)C1 ZINC000352804218 336240931 /nfs/dbraw/zinc/24/09/31/336240931.db2.gz ZWPZQNSPCOJOMI-ZWKOTPCHSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2C#N)C1 ZINC000352804218 336240932 /nfs/dbraw/zinc/24/09/32/336240932.db2.gz ZWPZQNSPCOJOMI-ZWKOTPCHSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000352804218 336240933 /nfs/dbraw/zinc/24/09/33/336240933.db2.gz ZWPZQNSPCOJOMI-ZWKOTPCHSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000352804218 336240934 /nfs/dbraw/zinc/24/09/34/336240934.db2.gz ZWPZQNSPCOJOMI-ZWKOTPCHSA-N 2 2 311.473 3.645 20 30 DHEDLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(C#N)cc1Cl ZINC000373524448 336963797 /nfs/dbraw/zinc/96/37/97/336963797.db2.gz SJLPNKLVERLGMF-JEYLPNPQSA-N 2 2 317.864 3.879 20 30 DHEDLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(C#N)c1 ZINC000181569003 337183055 /nfs/dbraw/zinc/18/30/55/337183055.db2.gz UJXUMNLDAOBSJS-OAHLLOKOSA-N 2 2 302.381 3.595 20 30 DHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000428876410 338064133 /nfs/dbraw/zinc/06/41/33/338064133.db2.gz LQEIYPDTDLIYMO-UHFFFAOYSA-N 2 2 318.408 3.897 20 30 DHEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000439437665 338369386 /nfs/dbraw/zinc/36/93/86/338369386.db2.gz IFZNGYJOLVYHLR-CJNGLKHVSA-N 2 2 305.853 3.516 20 30 DHEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000439437665 338369387 /nfs/dbraw/zinc/36/93/87/338369387.db2.gz IFZNGYJOLVYHLR-CJNGLKHVSA-N 2 2 305.853 3.516 20 30 DHEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000439437665 338369388 /nfs/dbraw/zinc/36/93/88/338369388.db2.gz IFZNGYJOLVYHLR-CJNGLKHVSA-N 2 2 305.853 3.516 20 30 DHEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000439437665 338369389 /nfs/dbraw/zinc/36/93/89/338369389.db2.gz IFZNGYJOLVYHLR-CJNGLKHVSA-N 2 2 305.853 3.516 20 30 DHEDLP CC1CC[NH+]([C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)c2ccccc2)CC1 ZINC000442723372 338429178 /nfs/dbraw/zinc/42/91/78/338429178.db2.gz WZOLQIHDODQWOC-MISYRCLQSA-N 2 2 311.473 3.741 20 30 DHEDLP CC1(C#N)CCC([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000449061537 338589394 /nfs/dbraw/zinc/58/93/94/338589394.db2.gz VYULNVKLFHUVLZ-GPJFCIFZSA-N 2 2 311.473 3.886 20 30 DHEDLP C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181584156 524316871 /nfs/dbraw/zinc/31/68/71/524316871.db2.gz QRASHNLFERTNAO-OXQOHEQNSA-N 2 2 311.473 3.691 20 30 DHEDLP