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(OCC[NH+]2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 ZINC000016439321 484360761 /nfs/dbraw/zinc/36/07/61/484360761.db2.gz WMEAOLPOSIAXIT-UHFFFAOYSA-N 1 2 372.425 -0.060 20 30 FBEDLO N#Cc1cccc(NC(=O)CN2CC[NH+](CC(=O)N3CCOCC3)CC2)c1 ZINC000019541342 484363839 /nfs/dbraw/zinc/36/38/39/484363839.db2.gz YHGPOZPAKHKRJY-UHFFFAOYSA-N 1 2 371.441 -0.027 20 30 FBEDLO C[C@](C#N)(NC(=O)CN1CC[NH+](CC(=O)N2CCOCC2)CC1)C1CC1 ZINC000022089977 484872240 /nfs/dbraw/zinc/87/22/40/484872240.db2.gz LGODRIYGONYGND-GOSISDBHSA-N 1 2 363.462 -0.729 20 30 FBEDLO C[C@@](C#N)(NC(=O)CN1CC[NH+](CC(=O)N2CCOCC2)CC1)C1CC1 ZINC000022089980 484872950 /nfs/dbraw/zinc/87/29/50/484872950.db2.gz LGODRIYGONYGND-SFHVURJKSA-N 1 2 363.462 -0.729 20 30 FBEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ncnc3c2cnn3C)CC1 ZINC000024900998 484371298 /nfs/dbraw/zinc/37/12/98/484371298.db2.gz XBLCILCIENUEAR-GFCCVEGCSA-N 1 2 372.433 -0.114 20 30 FBEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2ncnc3c2cnn3C)CC1 ZINC000024901005 484370696 /nfs/dbraw/zinc/37/06/96/484370696.db2.gz XBLCILCIENUEAR-LBPRGKRZSA-N 1 2 372.433 -0.114 20 30 FBEDLO N#CCCNS(=O)(=O)c1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000025439055 483464426 /nfs/dbraw/zinc/46/44/26/483464426.db2.gz UFVXIALQPBZSEG-UHFFFAOYSA-N 1 2 366.443 -0.059 20 30 FBEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000025861686 484389785 /nfs/dbraw/zinc/38/97/85/484389785.db2.gz QJLONRIRLFJQHA-SFHVURJKSA-N 1 2 365.478 -0.483 20 30 FBEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000025861690 484390147 /nfs/dbraw/zinc/39/01/47/484390147.db2.gz QJLONRIRLFJQHA-GOSISDBHSA-N 1 2 365.478 -0.483 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000025950763 484390130 /nfs/dbraw/zinc/39/01/30/484390130.db2.gz ABDHDGFWPACRLW-UHFFFAOYSA-N 1 2 351.451 -0.372 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000025950763 484390127 /nfs/dbraw/zinc/39/01/27/484390127.db2.gz ABDHDGFWPACRLW-UHFFFAOYSA-N 1 2 351.451 -0.372 20 30 FBEDLO COCCn1c(N)c(C(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c(=O)[nH]c1=O ZINC000026328850 484389274 /nfs/dbraw/zinc/38/92/74/484389274.db2.gz OOHDAOFIBBJLNI-UHFFFAOYSA-N 1 2 371.397 -0.048 20 30 FBEDLO COCCn1c(N)c(C(=O)C[N@H+](C)Cc2cccc(C#N)c2)c(=O)[nH]c1=O ZINC000026328850 484389267 /nfs/dbraw/zinc/38/92/67/484389267.db2.gz OOHDAOFIBBJLNI-UHFFFAOYSA-N 1 2 371.397 -0.048 20 30 FBEDLO C=CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000027903694 484390855 /nfs/dbraw/zinc/39/08/55/484390855.db2.gz YHUNNFMQTKQGGR-HUUCEWRRSA-N 1 2 365.478 -0.981 20 30 FBEDLO C=CCNC(=O)CN1CC[NH+]([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000027903701 484391315 /nfs/dbraw/zinc/39/13/15/484391315.db2.gz YHUNNFMQTKQGGR-LSDHHAIUSA-N 1 2 365.478 -0.981 20 30 FBEDLO C=CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000027903708 484390976 /nfs/dbraw/zinc/39/09/76/484390976.db2.gz YHUNNFMQTKQGGR-CABCVRRESA-N 1 2 365.478 -0.981 20 30 FBEDLO C=CCNC(=O)CN1CC[NH+]([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000027903714 483484986 /nfs/dbraw/zinc/48/49/86/483484986.db2.gz YHUNNFMQTKQGGR-GJZGRUSLSA-N 1 2 365.478 -0.981 20 30 FBEDLO Cn1c(N2CC[NH+](CC(=O)N3CCCCC3)CC2)c(C#N)c(=O)n(C)c1=O ZINC000028754143 484483060 /nfs/dbraw/zinc/48/30/60/484483060.db2.gz GLCLTNPVGCMHPZ-UHFFFAOYSA-N 1 2 374.445 -0.910 20 30 FBEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000028954942 484392687 /nfs/dbraw/zinc/39/26/87/484392687.db2.gz MABUOMLMYAXTIR-UHFFFAOYSA-N 1 2 365.415 -0.550 20 30 FBEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCC(=O)NC(N)=O)CC2)cc1 ZINC000029113520 484393360 /nfs/dbraw/zinc/39/33/60/484393360.db2.gz DOASEHVSOSUCRJ-UHFFFAOYSA-N 1 2 365.415 -0.550 20 30 FBEDLO COC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029445529 484392377 /nfs/dbraw/zinc/39/23/77/484392377.db2.gz LZPKNOYXFUXNBK-CYBMUJFWSA-N 1 2 360.418 -0.064 20 30 FBEDLO COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029445533 484393220 /nfs/dbraw/zinc/39/32/20/484393220.db2.gz LZPKNOYXFUXNBK-ZDUSSCGKSA-N 1 2 360.418 -0.064 20 30 FBEDLO N#Cc1ccnc(N2CC[NH+](CC(=O)N3CCC[C@@H](C(N)=O)C3)CC2)c1 ZINC000029446320 484393117 /nfs/dbraw/zinc/39/31/17/484393117.db2.gz OLARQERMDGRQRY-OAHLLOKOSA-N 1 2 356.430 -0.201 20 30 FBEDLO N#Cc1ccnc(N2CC[NH+](CC(=O)N3CCC[C@H](C(N)=O)C3)CC2)c1 ZINC000029446324 484392804 /nfs/dbraw/zinc/39/28/04/484392804.db2.gz OLARQERMDGRQRY-HNNXBMFYSA-N 1 2 356.430 -0.201 20 30 FBEDLO CC(=O)N1CCN(C(=O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000029446884 484392845 /nfs/dbraw/zinc/39/28/45/484392845.db2.gz ILAYGNNECAWKDY-UHFFFAOYSA-N 1 2 356.430 -0.234 20 30 FBEDLO Cn1c(NC[C@@]2([NH+]3CCOCC3)CCSC2)c(C#N)c(=O)n(C)c1=O ZINC000029626033 484394546 /nfs/dbraw/zinc/39/45/46/484394546.db2.gz MYBPVSLOWUIYFU-INIZCTEOSA-N 1 2 365.459 -0.425 20 30 FBEDLO Cn1c(NC[C@]2([NH+]3CCOCC3)CCSC2)c(C#N)c(=O)n(C)c1=O ZINC000029626034 484393807 /nfs/dbraw/zinc/39/38/07/484393807.db2.gz MYBPVSLOWUIYFU-MRXNPFEDSA-N 1 2 365.459 -0.425 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)CC(=O)NC3CC3)CC2)o1 ZINC000029705088 243109326 /nfs/dbraw/zinc/10/93/26/243109326.db2.gz BVMZVXJUFGJSCI-UHFFFAOYSA-N 1 2 360.418 -0.286 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)CC(=O)NC3CC3)CC2)o1 ZINC000029705088 243109321 /nfs/dbraw/zinc/10/93/21/243109321.db2.gz BVMZVXJUFGJSCI-UHFFFAOYSA-N 1 2 360.418 -0.286 20 30 FBEDLO CCNC(=O)C[N@@H+](CC)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000029717654 484394576 /nfs/dbraw/zinc/39/45/76/484394576.db2.gz AYGJBQFUURKVSE-UHFFFAOYSA-N 1 2 362.434 -0.039 20 30 FBEDLO CCNC(=O)C[N@H+](CC)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000029717654 484394572 /nfs/dbraw/zinc/39/45/72/484394572.db2.gz AYGJBQFUURKVSE-UHFFFAOYSA-N 1 2 362.434 -0.039 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](CC(N)=O)CC(C)C)CC2)o1 ZINC000029719690 484960323 /nfs/dbraw/zinc/96/03/23/484960323.db2.gz WXNAAHRCGDAPOZ-UHFFFAOYSA-N 1 2 362.434 -0.053 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](CC(N)=O)CC(C)C)CC2)o1 ZINC000029719690 484960318 /nfs/dbraw/zinc/96/03/18/484960318.db2.gz WXNAAHRCGDAPOZ-UHFFFAOYSA-N 1 2 362.434 -0.053 20 30 FBEDLO CC(=O)N1CC[NH+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000031582757 243109352 /nfs/dbraw/zinc/10/93/52/243109352.db2.gz LCPXPODLRZCORI-UHFFFAOYSA-N 1 2 360.418 -0.333 20 30 FBEDLO C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000043608601 483859295 /nfs/dbraw/zinc/85/92/95/483859295.db2.gz SIKJBTNGAYYELN-AWEZNQCLSA-N 1 2 353.467 -0.127 20 30 FBEDLO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000043608605 483859014 /nfs/dbraw/zinc/85/90/14/483859014.db2.gz SIKJBTNGAYYELN-CQSZACIVSA-N 1 2 353.467 -0.127 20 30 FBEDLO C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000043611675 483426587 /nfs/dbraw/zinc/42/65/87/483426587.db2.gz KQGAJXWXSQDGPI-STQMWFEESA-N 1 2 351.451 -0.329 20 30 FBEDLO C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000043611677 483426016 /nfs/dbraw/zinc/42/60/16/483426016.db2.gz KQGAJXWXSQDGPI-OLZOCXBDSA-N 1 2 351.451 -0.329 20 30 FBEDLO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000043611679 483426736 /nfs/dbraw/zinc/42/67/36/483426736.db2.gz KQGAJXWXSQDGPI-QWHCGFSZSA-N 1 2 351.451 -0.329 20 30 FBEDLO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000043611681 483426233 /nfs/dbraw/zinc/42/62/33/483426233.db2.gz KQGAJXWXSQDGPI-CHWSQXEVSA-N 1 2 351.451 -0.329 20 30 FBEDLO C=C(C)CNC(=S)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000044138541 660080653 /nfs/dbraw/zinc/08/06/53/660080653.db2.gz IAJIPOLASQTHCI-UHFFFAOYSA-N 1 2 361.537 -0.453 20 30 FBEDLO CS(=O)(=O)NCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000045653102 484413838 /nfs/dbraw/zinc/41/38/38/484413838.db2.gz ICSPMFXTCYTRFD-UHFFFAOYSA-N 1 2 365.459 -0.065 20 30 FBEDLO COCCn1c(N)c(C(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c(=O)[nH]c1=O ZINC000046528992 484417738 /nfs/dbraw/zinc/41/77/38/484417738.db2.gz UXCNCPDBABRORR-UHFFFAOYSA-N 1 2 371.397 -0.048 20 30 FBEDLO COCCn1c(N)c(C(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c(=O)[nH]c1=O ZINC000046528992 484417724 /nfs/dbraw/zinc/41/77/24/484417724.db2.gz UXCNCPDBABRORR-UHFFFAOYSA-N 1 2 371.397 -0.048 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCN(CC(=O)N(CC)CC)CC1 ZINC000046531342 484418009 /nfs/dbraw/zinc/41/80/09/484418009.db2.gz DTILEPHQJRKDOW-UHFFFAOYSA-N 1 2 353.467 -0.126 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCN(CC(=O)N(CC)CC)CC1 ZINC000046531342 484418003 /nfs/dbraw/zinc/41/80/03/484418003.db2.gz DTILEPHQJRKDOW-UHFFFAOYSA-N 1 2 353.467 -0.126 20 30 FBEDLO Cn1c(=O)ccn(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1=O ZINC000046672124 484418140 /nfs/dbraw/zinc/41/81/40/484418140.db2.gz LOMPESVUFOWYDQ-UHFFFAOYSA-N 1 2 367.409 -0.237 20 30 FBEDLO N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000048007128 243114990 /nfs/dbraw/zinc/11/49/90/243114990.db2.gz CRIVCIZNPNOUNN-MRXNPFEDSA-N 1 2 372.425 -0.279 20 30 FBEDLO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000048007130 243111699 /nfs/dbraw/zinc/11/16/99/243111699.db2.gz CRIVCIZNPNOUNN-INIZCTEOSA-N 1 2 372.425 -0.279 20 30 FBEDLO C=CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000048619630 483831426 /nfs/dbraw/zinc/83/14/26/483831426.db2.gz DBQDGMQNIMEOQX-UHFFFAOYSA-N 1 2 366.443 -0.137 20 30 FBEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 ZINC000051152372 483910026 /nfs/dbraw/zinc/91/00/26/483910026.db2.gz XXQBORZKYMKCMJ-UHFFFAOYSA-N 1 2 372.425 -0.060 20 30 FBEDLO C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000055963446 484428558 /nfs/dbraw/zinc/42/85/58/484428558.db2.gz ZXWBLGVVKJIWSX-AWEZNQCLSA-N 1 2 351.451 -0.373 20 30 FBEDLO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000055963447 484428706 /nfs/dbraw/zinc/42/87/06/484428706.db2.gz ZXWBLGVVKJIWSX-CQSZACIVSA-N 1 2 351.451 -0.373 20 30 FBEDLO CC(=O)NCC(=O)NCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000058902480 484431175 /nfs/dbraw/zinc/43/11/75/484431175.db2.gz OZJPAQAVIAQCMS-UHFFFAOYSA-N 1 2 357.414 -0.545 20 30 FBEDLO Cn1c(=O)c(C#N)c(N2CC[NH+](Cc3cccc(O)c3)CC2)n(C)c1=O ZINC000060349550 484558286 /nfs/dbraw/zinc/55/82/86/484558286.db2.gz ZWJPHNGNTUDJAV-UHFFFAOYSA-N 1 2 355.398 -0.017 20 30 FBEDLO COC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481605 484431168 /nfs/dbraw/zinc/43/11/68/484431168.db2.gz XYPKHVMWYWDGRI-CYBMUJFWSA-N 1 2 360.418 -0.064 20 30 FBEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000064432591 484440043 /nfs/dbraw/zinc/44/00/43/484440043.db2.gz PVKUHLCYJMHREH-UHFFFAOYSA-N 1 2 357.457 -0.336 20 30 FBEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000064432607 484439495 /nfs/dbraw/zinc/43/94/95/484439495.db2.gz XVYWDGUUUFMCTQ-UHFFFAOYSA-N 1 2 362.411 -0.454 20 30 FBEDLO C=CCNC(=O)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000065699697 484443700 /nfs/dbraw/zinc/44/37/00/484443700.db2.gz SWWXPIJPEZZZNE-UHFFFAOYSA-N 1 2 360.414 -0.011 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCNC(=O)[C@@H]3C(C)C)CC2)o1 ZINC000066500151 243117598 /nfs/dbraw/zinc/11/75/98/243117598.db2.gz AIKUYWCHOIEHNT-INIZCTEOSA-N 1 2 374.445 -0.040 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCNC(=O)[C@@H]3C(C)C)CC2)o1 ZINC000066500151 243117589 /nfs/dbraw/zinc/11/75/89/243117589.db2.gz AIKUYWCHOIEHNT-INIZCTEOSA-N 1 2 374.445 -0.040 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCNC(=O)[C@H]3C(C)C)CC2)o1 ZINC000066500154 243118038 /nfs/dbraw/zinc/11/80/38/243118038.db2.gz AIKUYWCHOIEHNT-MRXNPFEDSA-N 1 2 374.445 -0.040 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCNC(=O)[C@H]3C(C)C)CC2)o1 ZINC000066500154 243118031 /nfs/dbraw/zinc/11/80/31/243118031.db2.gz AIKUYWCHOIEHNT-MRXNPFEDSA-N 1 2 374.445 -0.040 20 30 FBEDLO C=CCCO[C@@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000066915224 484449470 /nfs/dbraw/zinc/44/94/70/484449470.db2.gz MHZBTFWGZOXITD-HNNXBMFYSA-N 1 2 374.507 -0.396 20 30 FBEDLO C=CCCO[C@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000066915226 484449921 /nfs/dbraw/zinc/44/99/21/484449921.db2.gz MHZBTFWGZOXITD-OAHLLOKOSA-N 1 2 374.507 -0.396 20 30 FBEDLO C=CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000067316229 484603140 /nfs/dbraw/zinc/60/31/40/484603140.db2.gz ISUXVIHKLYDPOO-UHFFFAOYSA-N 1 2 366.443 -0.137 20 30 FBEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCCS(N)(=O)=O)CC2)cc1 ZINC000068457517 484461174 /nfs/dbraw/zinc/46/11/74/484461174.db2.gz PDOAYIMIMKGFCI-UHFFFAOYSA-N 1 2 372.472 -0.457 20 30 FBEDLO C[C@@H](C(=O)N1CCOCC1)N1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000068848787 484465064 /nfs/dbraw/zinc/46/50/64/484465064.db2.gz UVZJGCHRXQOSGV-HOTGVXAUSA-N 1 2 365.478 -0.388 20 30 FBEDLO C[C@@H](C(=O)N(C)CCC#N)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000068848787 484465060 /nfs/dbraw/zinc/46/50/60/484465060.db2.gz UVZJGCHRXQOSGV-HOTGVXAUSA-N 1 2 365.478 -0.388 20 30 FBEDLO C[C@H](C(=O)N1CCOCC1)N1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000068848795 484465229 /nfs/dbraw/zinc/46/52/29/484465229.db2.gz UVZJGCHRXQOSGV-HZPDHXFCSA-N 1 2 365.478 -0.388 20 30 FBEDLO C[C@H](C(=O)N(C)CCC#N)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000068848795 484465225 /nfs/dbraw/zinc/46/52/25/484465225.db2.gz UVZJGCHRXQOSGV-HZPDHXFCSA-N 1 2 365.478 -0.388 20 30 FBEDLO C#CCN(CC#C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000072906715 484011317 /nfs/dbraw/zinc/01/13/17/484011317.db2.gz OGKZPVFELNEMHZ-UHFFFAOYSA-N 1 2 351.414 -0.420 20 30 FBEDLO N#Cc1cccnc1N1CC[NH+](CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000078256075 483879220 /nfs/dbraw/zinc/87/92/20/483879220.db2.gz LAMAWBVPOYCEDH-HNNXBMFYSA-N 1 2 356.430 -0.201 20 30 FBEDLO N#Cc1cccnc1N1CC[NH+](CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000078256078 483879249 /nfs/dbraw/zinc/87/92/49/483879249.db2.gz LAMAWBVPOYCEDH-OAHLLOKOSA-N 1 2 356.430 -0.201 20 30 FBEDLO CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000081528347 243129285 /nfs/dbraw/zinc/12/92/85/243129285.db2.gz KDHCRDJNMLQWTP-GFCCVEGCSA-N 1 2 362.434 -0.183 20 30 FBEDLO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000081528347 243129276 /nfs/dbraw/zinc/12/92/76/243129276.db2.gz KDHCRDJNMLQWTP-GFCCVEGCSA-N 1 2 362.434 -0.183 20 30 FBEDLO CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000081528354 243129012 /nfs/dbraw/zinc/12/90/12/243129012.db2.gz KDHCRDJNMLQWTP-LBPRGKRZSA-N 1 2 362.434 -0.183 20 30 FBEDLO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000081528354 243128997 /nfs/dbraw/zinc/12/89/97/243128997.db2.gz KDHCRDJNMLQWTP-LBPRGKRZSA-N 1 2 362.434 -0.183 20 30 FBEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCC(=O)N(CC)CC)CC1 ZINC000087304487 484035687 /nfs/dbraw/zinc/03/56/87/484035687.db2.gz HXKDVDBOAWAHCT-UHFFFAOYSA-N 1 2 350.463 -0.081 20 30 FBEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCC(=O)N(CC)CC)CC1 ZINC000087304487 484035679 /nfs/dbraw/zinc/03/56/79/484035679.db2.gz HXKDVDBOAWAHCT-UHFFFAOYSA-N 1 2 350.463 -0.081 20 30 FBEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 ZINC000088757898 484035328 /nfs/dbraw/zinc/03/53/28/484035328.db2.gz YHXMGONJBDVKMC-ZDUSSCGKSA-N 1 2 374.445 -0.911 20 30 FBEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 ZINC000088757899 484034745 /nfs/dbraw/zinc/03/47/45/484034745.db2.gz YHXMGONJBDVKMC-CYBMUJFWSA-N 1 2 374.445 -0.911 20 30 FBEDLO CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)n1 ZINC000091250645 243131304 /nfs/dbraw/zinc/13/13/04/243131304.db2.gz FNXQFTZJGMZROO-CYBMUJFWSA-N 1 2 359.434 -0.436 20 30 FBEDLO CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)n1 ZINC000091250646 243132967 /nfs/dbraw/zinc/13/29/67/243132967.db2.gz FNXQFTZJGMZROO-ZDUSSCGKSA-N 1 2 359.434 -0.436 20 30 FBEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCc3nn(C)c(=O)cc3C2)CC1 ZINC000091587933 483795469 /nfs/dbraw/zinc/79/54/69/483795469.db2.gz JQBLIASTPUORAI-QGZVFWFLSA-N 1 2 372.473 -0.169 20 30 FBEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCc3nn(C)c(=O)cc3C2)CC1 ZINC000091587933 483795467 /nfs/dbraw/zinc/79/54/67/483795467.db2.gz JQBLIASTPUORAI-QGZVFWFLSA-N 1 2 372.473 -0.169 20 30 FBEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCc3nn(C)c(=O)cc3C2)CC1 ZINC000091587934 483794905 /nfs/dbraw/zinc/79/49/05/483794905.db2.gz JQBLIASTPUORAI-KRWDZBQOSA-N 1 2 372.473 -0.169 20 30 FBEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCc3nn(C)c(=O)cc3C2)CC1 ZINC000091587934 483794902 /nfs/dbraw/zinc/79/49/02/483794902.db2.gz JQBLIASTPUORAI-KRWDZBQOSA-N 1 2 372.473 -0.169 20 30 FBEDLO C[NH+]1CCN(S(=O)(=O)N2CCN(Cc3ccc(C#N)o3)CC2)CC1 ZINC000091811727 243131212 /nfs/dbraw/zinc/13/12/12/243131212.db2.gz QWVUNXGWSLBJCC-UHFFFAOYSA-N 1 2 353.448 -0.239 20 30 FBEDLO Cn1cc(C[N@H+]2CCN(Cc3ccc(C#N)cc3)C(=O)C2)c(=O)n(C)c1=O ZINC000093661389 484045329 /nfs/dbraw/zinc/04/53/29/484045329.db2.gz GFPGMQNSDDMTDJ-UHFFFAOYSA-N 1 2 367.409 -0.200 20 30 FBEDLO Cn1cc(C[N@@H+]2CCN(Cc3ccc(C#N)cc3)C(=O)C2)c(=O)n(C)c1=O ZINC000093661389 484045325 /nfs/dbraw/zinc/04/53/25/484045325.db2.gz GFPGMQNSDDMTDJ-UHFFFAOYSA-N 1 2 367.409 -0.200 20 30 FBEDLO C[NH+]1CCN(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)CC1 ZINC000094134848 484044406 /nfs/dbraw/zinc/04/44/06/484044406.db2.gz KCXWLCCEDBZWJY-UHFFFAOYSA-N 1 2 350.448 -0.433 20 30 FBEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000097036088 484160775 /nfs/dbraw/zinc/16/07/75/484160775.db2.gz QXLDPISRSONRPY-HNNXBMFYSA-N 1 2 360.462 -0.073 20 30 FBEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000097036090 484160367 /nfs/dbraw/zinc/16/03/67/484160367.db2.gz QXLDPISRSONRPY-OAHLLOKOSA-N 1 2 360.462 -0.073 20 30 FBEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000097325190 657101022 /nfs/dbraw/zinc/10/10/22/657101022.db2.gz SWYZOJPDIYJEND-ZDUSSCGKSA-N 1 2 350.444 -0.406 20 30 FBEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000097325191 661842050 /nfs/dbraw/zinc/84/20/50/661842050.db2.gz SWYZOJPDIYJEND-CYBMUJFWSA-N 1 2 350.444 -0.406 20 30 FBEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CNC(=O)c2ccccc2)CC1 ZINC000104132951 484108864 /nfs/dbraw/zinc/10/88/64/484108864.db2.gz PIIFRIMNTTVTIL-UHFFFAOYSA-N 1 2 356.426 -0.300 20 30 FBEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)c2ccccc2)CC1 ZINC000104132951 484108857 /nfs/dbraw/zinc/10/88/57/484108857.db2.gz PIIFRIMNTTVTIL-UHFFFAOYSA-N 1 2 356.426 -0.300 20 30 FBEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(CC(=O)N2CCOCC2)CC1 ZINC000105017838 484118817 /nfs/dbraw/zinc/11/88/17/484118817.db2.gz QZTCQQYGMQYYEH-UHFFFAOYSA-N 1 2 350.463 -0.337 20 30 FBEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(CC(=O)N2CCOCC2)CC1 ZINC000105037651 484547335 /nfs/dbraw/zinc/54/73/35/484547335.db2.gz ROZQLFAEKILHIM-UHFFFAOYSA-N 1 2 352.479 -0.113 20 30 FBEDLO CCN(CC)C(=O)C[N@H+]1CCCN(S(=O)(=O)N(C)CCC#N)CC1 ZINC000106051801 484536139 /nfs/dbraw/zinc/53/61/39/484536139.db2.gz IQXRSUNYKWNCQP-UHFFFAOYSA-N 1 2 359.496 -0.047 20 30 FBEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(S(=O)(=O)N(C)CCC#N)CC1 ZINC000106051801 484536133 /nfs/dbraw/zinc/53/61/33/484536133.db2.gz IQXRSUNYKWNCQP-UHFFFAOYSA-N 1 2 359.496 -0.047 20 30 FBEDLO C[NH+]1CCN(S(=O)(=O)N2CCN(C[C@H](C#N)CCC#N)CC2)CC1 ZINC000112559780 483894423 /nfs/dbraw/zinc/89/44/23/483894423.db2.gz SKGLDEICNWXSPK-HNNXBMFYSA-N 1 2 354.480 -0.460 20 30 FBEDLO C[NH+]1CCN(S(=O)(=O)N2CCN(C[C@@H](C#N)CCC#N)CC2)CC1 ZINC000112559782 483894584 /nfs/dbraw/zinc/89/45/84/483894584.db2.gz SKGLDEICNWXSPK-OAHLLOKOSA-N 1 2 354.480 -0.460 20 30 FBEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)CCC(C)C)CC1 ZINC000112904564 483946846 /nfs/dbraw/zinc/94/68/46/483946846.db2.gz WPCBPUVJAQDCFJ-UHFFFAOYSA-N 1 2 350.463 -0.178 20 30 FBEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CNC(=O)CCC(C)C)CC1 ZINC000112904564 483946841 /nfs/dbraw/zinc/94/68/41/483946841.db2.gz WPCBPUVJAQDCFJ-UHFFFAOYSA-N 1 2 350.463 -0.178 20 30 FBEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cn2c(=O)[nH]c3ccccc32)CC1 ZINC000112904632 484550325 /nfs/dbraw/zinc/55/03/25/484550325.db2.gz APVCYMWTVABOLQ-UHFFFAOYSA-N 1 2 369.425 -0.387 20 30 FBEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cn2c(=O)[nH]c3ccccc32)CC1 ZINC000112904632 484550320 /nfs/dbraw/zinc/55/03/20/484550320.db2.gz APVCYMWTVABOLQ-UHFFFAOYSA-N 1 2 369.425 -0.387 20 30 FBEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CNC(=O)c2cccs2)CC1 ZINC000113433372 484550082 /nfs/dbraw/zinc/55/00/82/484550082.db2.gz RRXRWKVSNJJCID-UHFFFAOYSA-N 1 2 362.455 -0.238 20 30 FBEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)c2cccs2)CC1 ZINC000113433372 484550075 /nfs/dbraw/zinc/55/00/75/484550075.db2.gz RRXRWKVSNJJCID-UHFFFAOYSA-N 1 2 362.455 -0.238 20 30 FBEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)c2cccc(F)c2)CC1 ZINC000113433403 484550625 /nfs/dbraw/zinc/55/06/25/484550625.db2.gz BOJYJTPWWVZQIV-UHFFFAOYSA-N 1 2 374.416 -0.161 20 30 FBEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CNC(=O)c2cccc(F)c2)CC1 ZINC000113433403 484550621 /nfs/dbraw/zinc/55/06/21/484550621.db2.gz BOJYJTPWWVZQIV-UHFFFAOYSA-N 1 2 374.416 -0.161 20 30 FBEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCn1nc2ccccn2c1=O ZINC000116741416 485144767 /nfs/dbraw/zinc/14/47/67/485144767.db2.gz GHSNVFDLZGETDB-UHFFFAOYSA-N 1 2 372.429 -0.039 20 30 FBEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCNC(=O)CC(C)C)CC1 ZINC000119093101 483721935 /nfs/dbraw/zinc/72/19/35/483721935.db2.gz XSHFRTTZFBYURP-UHFFFAOYSA-N 1 2 350.463 -0.178 20 30 FBEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCNC(=O)CC(C)C)CC1 ZINC000119093101 483721932 /nfs/dbraw/zinc/72/19/32/483721932.db2.gz XSHFRTTZFBYURP-UHFFFAOYSA-N 1 2 350.463 -0.178 20 30 FBEDLO CCC[N@@H+](CC(=O)NC)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000120183514 483423832 /nfs/dbraw/zinc/42/38/32/483423832.db2.gz MTYJWFBYOAYZDF-UHFFFAOYSA-N 1 2 362.434 -0.039 20 30 FBEDLO CCC[N@H+](CC(=O)NC)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000120183514 483423826 /nfs/dbraw/zinc/42/38/26/483423826.db2.gz MTYJWFBYOAYZDF-UHFFFAOYSA-N 1 2 362.434 -0.039 20 30 FBEDLO C#CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1 ZINC000123549049 484645434 /nfs/dbraw/zinc/64/54/34/484645434.db2.gz ALWUWHUBVHXJTK-HNNXBMFYSA-N 1 2 356.492 -0.280 20 30 FBEDLO C#CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1 ZINC000123549049 484645425 /nfs/dbraw/zinc/64/54/25/484645425.db2.gz ALWUWHUBVHXJTK-HNNXBMFYSA-N 1 2 356.492 -0.280 20 30 FBEDLO C#CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000123554349 484645011 /nfs/dbraw/zinc/64/50/11/484645011.db2.gz MMYDYUIMIFZPDZ-UHFFFAOYSA-N 1 2 356.492 -0.136 20 30 FBEDLO C#CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000123554349 484645006 /nfs/dbraw/zinc/64/50/06/484645006.db2.gz MMYDYUIMIFZPDZ-UHFFFAOYSA-N 1 2 356.492 -0.136 20 30 FBEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3[nH]c(=O)n(C)c3c2)CC1 ZINC000126218958 483996271 /nfs/dbraw/zinc/99/62/71/483996271.db2.gz KQBFITKJNNMDTC-UHFFFAOYSA-N 1 2 369.425 -0.236 20 30 FBEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3[nH]c(=O)n(C)c3c2)CC1 ZINC000126218958 483996268 /nfs/dbraw/zinc/99/62/68/483996268.db2.gz KQBFITKJNNMDTC-UHFFFAOYSA-N 1 2 369.425 -0.236 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCCC[C@@H]3C(N)=O)CC2)o1 ZINC000126628391 484875128 /nfs/dbraw/zinc/87/51/28/484875128.db2.gz BSBBSYDHHHKFNF-CQSZACIVSA-N 1 2 360.418 -0.157 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCCC[C@@H]3C(N)=O)CC2)o1 ZINC000126628391 484875118 /nfs/dbraw/zinc/87/51/18/484875118.db2.gz BSBBSYDHHHKFNF-CQSZACIVSA-N 1 2 360.418 -0.157 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCCC[C@H]3C(N)=O)CC2)o1 ZINC000126628627 484875628 /nfs/dbraw/zinc/87/56/28/484875628.db2.gz BSBBSYDHHHKFNF-AWEZNQCLSA-N 1 2 360.418 -0.157 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCCC[C@H]3C(N)=O)CC2)o1 ZINC000126628627 484875623 /nfs/dbraw/zinc/87/56/23/484875623.db2.gz BSBBSYDHHHKFNF-AWEZNQCLSA-N 1 2 360.418 -0.157 20 30 FBEDLO CCn1cc(C#N)c(=O)n(CC(=O)N2CC[NH+](Cc3ccco3)CC2)c1=O ZINC000128035996 483872460 /nfs/dbraw/zinc/87/24/60/483872460.db2.gz ZEBUWHWWYNKWNX-UHFFFAOYSA-N 1 2 371.397 -0.161 20 30 FBEDLO Cn1cc(C#N)c(=O)n(CC(=O)N2CC[NH+](Cc3cccs3)CC2)c1=O ZINC000134710704 484768937 /nfs/dbraw/zinc/76/89/37/484768937.db2.gz WEYISTBHJLFSTC-UHFFFAOYSA-N 1 2 373.438 -0.175 20 30 FBEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000146261757 484091534 /nfs/dbraw/zinc/09/15/34/484091534.db2.gz ZCGKYPRAOVJOTH-UHFFFAOYSA-N 1 2 371.484 -0.076 20 30 FBEDLO C=CCCOCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000147027782 484511081 /nfs/dbraw/zinc/51/10/81/484511081.db2.gz ZWIBQFPOYFMICU-UHFFFAOYSA-N 1 2 360.480 -0.785 20 30 FBEDLO C#CCNC(=O)[C@H](C)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000158713186 483998561 /nfs/dbraw/zinc/99/85/61/483998561.db2.gz ZPPGEDDZDPAFTO-HNNXBMFYSA-N 1 2 358.446 -0.427 20 30 FBEDLO C#CCNC(=O)[C@@H](C)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000158713344 483998232 /nfs/dbraw/zinc/99/82/32/483998232.db2.gz ZPPGEDDZDPAFTO-OAHLLOKOSA-N 1 2 358.446 -0.427 20 30 FBEDLO Cc1ccc(C#N)c(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000160525253 484240182 /nfs/dbraw/zinc/24/01/82/484240182.db2.gz ZOKYRXYSTGPLHC-UHFFFAOYSA-N 1 2 364.475 -0.124 20 30 FBEDLO Cn1c2[nH]c(C[N@@H+](C)CCCc3[nH]nc(N)c3C#N)nc2c(=O)n(C)c1=O ZINC000162706440 484979736 /nfs/dbraw/zinc/97/97/36/484979736.db2.gz WWPRIBNTSPSWNB-UHFFFAOYSA-N 1 2 371.405 -0.798 20 30 FBEDLO Cn1c2[nH]c(C[N@H+](C)CCCc3[nH]nc(N)c3C#N)nc2c(=O)n(C)c1=O ZINC000162706440 484979731 /nfs/dbraw/zinc/97/97/31/484979731.db2.gz WWPRIBNTSPSWNB-UHFFFAOYSA-N 1 2 371.405 -0.798 20 30 FBEDLO C[NH+]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 ZINC000162968828 536400864 /nfs/dbraw/zinc/40/08/64/536400864.db2.gz VXLFMQPOHFOTGL-UHFFFAOYSA-N 1 2 353.386 -0.089 20 30 FBEDLO N#CC1(CS(=O)(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000164753145 485330703 /nfs/dbraw/zinc/33/07/03/485330703.db2.gz KWPJINYUMCDXAZ-UHFFFAOYSA-N 1 2 350.448 -0.178 20 30 FBEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)c2ccc(F)cc2)CC1 ZINC000170899070 484469575 /nfs/dbraw/zinc/46/95/75/484469575.db2.gz WDSPLBLBOZFVJH-UHFFFAOYSA-N 1 2 374.416 -0.161 20 30 FBEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CNC(=O)c2ccc(F)cc2)CC1 ZINC000170899070 484469569 /nfs/dbraw/zinc/46/95/69/484469569.db2.gz WDSPLBLBOZFVJH-UHFFFAOYSA-N 1 2 374.416 -0.161 20 30 FBEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000171976003 484469107 /nfs/dbraw/zinc/46/91/07/484469107.db2.gz PINHJBVXECUZNM-UHFFFAOYSA-N 1 2 355.398 -0.247 20 30 FBEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000171976003 484469105 /nfs/dbraw/zinc/46/91/05/484469105.db2.gz PINHJBVXECUZNM-UHFFFAOYSA-N 1 2 355.398 -0.247 20 30 FBEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)CC1 ZINC000173550753 484484945 /nfs/dbraw/zinc/48/49/45/484484945.db2.gz IBBVXCUBYLTBFH-UHFFFAOYSA-N 1 2 374.416 -0.274 20 30 FBEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)CC1 ZINC000173550753 484484940 /nfs/dbraw/zinc/48/49/40/484484940.db2.gz IBBVXCUBYLTBFH-UHFFFAOYSA-N 1 2 374.416 -0.274 20 30 FBEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174830223 484442685 /nfs/dbraw/zinc/44/26/85/484442685.db2.gz DNULTODEFAWCNI-OAHLLOKOSA-N 1 2 352.395 -0.300 20 30 FBEDLO N#CCC[N@@H+](CCN1CCOCC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174830223 484442676 /nfs/dbraw/zinc/44/26/76/484442676.db2.gz DNULTODEFAWCNI-OAHLLOKOSA-N 1 2 352.395 -0.300 20 30 FBEDLO N#CCC[N@H+](CCN1CCOCC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174830223 484442668 /nfs/dbraw/zinc/44/26/68/484442668.db2.gz DNULTODEFAWCNI-OAHLLOKOSA-N 1 2 352.395 -0.300 20 30 FBEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174830233 484442499 /nfs/dbraw/zinc/44/24/99/484442499.db2.gz DNULTODEFAWCNI-HNNXBMFYSA-N 1 2 352.395 -0.300 20 30 FBEDLO N#CCC[N@@H+](CCN1CCOCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174830233 484442490 /nfs/dbraw/zinc/44/24/90/484442490.db2.gz DNULTODEFAWCNI-HNNXBMFYSA-N 1 2 352.395 -0.300 20 30 FBEDLO N#CCC[N@H+](CCN1CCOCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174830233 484442482 /nfs/dbraw/zinc/44/24/82/484442482.db2.gz DNULTODEFAWCNI-HNNXBMFYSA-N 1 2 352.395 -0.300 20 30 FBEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000176375780 483893490 /nfs/dbraw/zinc/89/34/90/483893490.db2.gz ZXFIZBHMPNUOKO-GFCCVEGCSA-N 1 2 355.402 -0.544 20 30 FBEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000176375780 483893489 /nfs/dbraw/zinc/89/34/89/483893489.db2.gz ZXFIZBHMPNUOKO-GFCCVEGCSA-N 1 2 355.402 -0.544 20 30 FBEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000176375800 483893595 /nfs/dbraw/zinc/89/35/95/483893595.db2.gz ZXFIZBHMPNUOKO-LBPRGKRZSA-N 1 2 355.402 -0.544 20 30 FBEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000176375800 483893592 /nfs/dbraw/zinc/89/35/92/483893592.db2.gz ZXFIZBHMPNUOKO-LBPRGKRZSA-N 1 2 355.402 -0.544 20 30 FBEDLO C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000178605834 484497170 /nfs/dbraw/zinc/49/71/70/484497170.db2.gz UADHSNLQRURCDK-OAHLLOKOSA-N 1 2 362.455 -0.672 20 30 FBEDLO C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000178605851 484496983 /nfs/dbraw/zinc/49/69/83/484496983.db2.gz UADHSNLQRURCDK-HNNXBMFYSA-N 1 2 362.455 -0.672 20 30 FBEDLO C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1 ZINC000178612084 484497455 /nfs/dbraw/zinc/49/74/55/484497455.db2.gz PTWVVNAQWONHGW-OAHLLOKOSA-N 1 2 364.471 -0.120 20 30 FBEDLO C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1 ZINC000178612094 484497494 /nfs/dbraw/zinc/49/74/94/484497494.db2.gz PTWVVNAQWONHGW-HNNXBMFYSA-N 1 2 364.471 -0.120 20 30 FBEDLO C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1 ZINC000178626900 484497652 /nfs/dbraw/zinc/49/76/52/484497652.db2.gz MFFPIVHUNXUZEB-OAHLLOKOSA-N 1 2 362.455 -0.672 20 30 FBEDLO C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1 ZINC000178626911 484497026 /nfs/dbraw/zinc/49/70/26/484497026.db2.gz MFFPIVHUNXUZEB-HNNXBMFYSA-N 1 2 362.455 -0.672 20 30 FBEDLO C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000178628129 484497115 /nfs/dbraw/zinc/49/71/15/484497115.db2.gz QUQAVCXCQNDHMC-OAHLLOKOSA-N 1 2 364.471 -0.120 20 30 FBEDLO C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000178628143 484497482 /nfs/dbraw/zinc/49/74/82/484497482.db2.gz QUQAVCXCQNDHMC-HNNXBMFYSA-N 1 2 364.471 -0.120 20 30 FBEDLO C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178959366 484497699 /nfs/dbraw/zinc/49/76/99/484497699.db2.gz MLTKGRYFTLETQS-CQSZACIVSA-N 1 2 360.389 -0.108 20 30 FBEDLO C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178959375 484497134 /nfs/dbraw/zinc/49/71/34/484497134.db2.gz MLTKGRYFTLETQS-AWEZNQCLSA-N 1 2 360.389 -0.108 20 30 FBEDLO C#CCCCCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000179735788 660220838 /nfs/dbraw/zinc/22/08/38/660220838.db2.gz CJIZHLOOQPHNSM-UHFFFAOYSA-N 1 2 356.492 -0.184 20 30 FBEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CC(C)C)NC(C)=O)CC1 ZINC000180674208 484029696 /nfs/dbraw/zinc/02/96/96/484029696.db2.gz JBRLDDMOXMWNGR-INIZCTEOSA-N 1 2 350.463 -0.179 20 30 FBEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CC(C)C)NC(C)=O)CC1 ZINC000180674208 484029691 /nfs/dbraw/zinc/02/96/91/484029691.db2.gz JBRLDDMOXMWNGR-INIZCTEOSA-N 1 2 350.463 -0.179 20 30 FBEDLO C#CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)N(CC)CC2CC2)CC1 ZINC000183905117 484504533 /nfs/dbraw/zinc/50/45/33/484504533.db2.gz UASRMOSGXLGEIT-UHFFFAOYSA-N 1 2 356.492 -0.280 20 30 FBEDLO C#CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)N(CC)CC2CC2)CC1 ZINC000183905117 484504528 /nfs/dbraw/zinc/50/45/28/484504528.db2.gz UASRMOSGXLGEIT-UHFFFAOYSA-N 1 2 356.492 -0.280 20 30 FBEDLO C#CCC(C)(C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000185105252 659007048 /nfs/dbraw/zinc/00/70/48/659007048.db2.gz BMIBDTLSCDQFEI-UHFFFAOYSA-N 1 2 356.492 -0.328 20 30 FBEDLO CC#CCCCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000185105278 483831208 /nfs/dbraw/zinc/83/12/08/483831208.db2.gz OKKCTAWQSAAROT-UHFFFAOYSA-N 1 2 356.492 -0.184 20 30 FBEDLO C#CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)c2ccc(N)cc2)CC1 ZINC000186019569 484091328 /nfs/dbraw/zinc/09/13/28/484091328.db2.gz UJRTVINCACYLBA-UHFFFAOYSA-N 1 2 350.444 -0.285 20 30 FBEDLO C#CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)c2ccc(N)cc2)CC1 ZINC000186019569 484091323 /nfs/dbraw/zinc/09/13/23/484091323.db2.gz UJRTVINCACYLBA-UHFFFAOYSA-N 1 2 350.444 -0.285 20 30 FBEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2COCCN2CC(F)F)CC1 ZINC000188421681 484530556 /nfs/dbraw/zinc/53/05/56/484530556.db2.gz VCBKFEULRWCICN-AWEZNQCLSA-N 1 2 372.416 -0.764 20 30 FBEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2COCCN2CC(F)F)CC1 ZINC000188421681 484530550 /nfs/dbraw/zinc/53/05/50/484530550.db2.gz VCBKFEULRWCICN-AWEZNQCLSA-N 1 2 372.416 -0.764 20 30 FBEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2COCCN2CC(F)F)CC1 ZINC000188421707 484530043 /nfs/dbraw/zinc/53/00/43/484530043.db2.gz VCBKFEULRWCICN-CQSZACIVSA-N 1 2 372.416 -0.764 20 30 FBEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2COCCN2CC(F)F)CC1 ZINC000188421707 484530039 /nfs/dbraw/zinc/53/00/39/484530039.db2.gz VCBKFEULRWCICN-CQSZACIVSA-N 1 2 372.416 -0.764 20 30 FBEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CC[C@@H](C)[C@@H](OC)C2)c1=O ZINC000190199969 661762009 /nfs/dbraw/zinc/76/20/09/661762009.db2.gz LZCXWTODJFFMKU-KGLIPLIRSA-N 1 2 350.419 -0.142 20 30 FBEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)c1=O ZINC000190199969 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372.385 -0.128 20 30 FBEDLO N#Cc1ccccc1OCC[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000299033598 484527333 /nfs/dbraw/zinc/52/73/33/484527333.db2.gz IGUXYDUYFWCWFN-UHFFFAOYSA-N 1 2 372.425 -0.060 20 30 FBEDLO COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000299107716 484526854 /nfs/dbraw/zinc/52/68/54/484526854.db2.gz XYPKHVMWYWDGRI-ZDUSSCGKSA-N 1 2 360.418 -0.064 20 30 FBEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000299110283 483860473 /nfs/dbraw/zinc/86/04/73/483860473.db2.gz ZJIHMUMZSIULCO-UHFFFAOYSA-N 1 2 369.429 -0.042 20 30 FBEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000299244425 483607407 /nfs/dbraw/zinc/60/74/07/483607407.db2.gz OGHJGOXVBVVNIX-UHFFFAOYSA-N 1 2 371.484 -0.076 20 30 FBEDLO C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000299467007 483620736 /nfs/dbraw/zinc/62/07/36/483620736.db2.gz BSVXLGCHRNFFHR-UHFFFAOYSA-N 1 2 357.370 -0.293 20 30 FBEDLO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1=O ZINC000299481629 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C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2cn[nH]n2)CC3)CC1 ZINC000328778671 483902590 /nfs/dbraw/zinc/90/25/90/483902590.db2.gz LTKCTDKPYLDBGG-GFCCVEGCSA-N 1 2 372.433 -0.044 20 30 FBEDLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2cnn[nH]2)CC3)CC1 ZINC000328778672 483902480 /nfs/dbraw/zinc/90/24/80/483902480.db2.gz LTKCTDKPYLDBGG-LBPRGKRZSA-N 1 2 372.433 -0.044 20 30 FBEDLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2cn[nH]n2)CC3)CC1 ZINC000328778672 483902479 /nfs/dbraw/zinc/90/24/79/483902479.db2.gz LTKCTDKPYLDBGG-LBPRGKRZSA-N 1 2 372.433 -0.044 20 30 FBEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@H](CN(C)c3nccn(C)c3=O)C2)C1=O ZINC000328807446 483901941 /nfs/dbraw/zinc/90/19/41/483901941.db2.gz MCSRYPKGCDDMEM-CABCVRRESA-N 1 2 361.446 -0.296 20 30 FBEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@H](CN(C)c3nccn(C)c3=O)C2)C1=O ZINC000328807446 483901939 /nfs/dbraw/zinc/90/19/39/483901939.db2.gz MCSRYPKGCDDMEM-CABCVRRESA-N 1 2 361.446 -0.296 20 30 FBEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@@H](CN(C)c3nccn(C)c3=O)C2)C1=O ZINC000328807448 483901798 /nfs/dbraw/zinc/90/17/98/483901798.db2.gz MCSRYPKGCDDMEM-GJZGRUSLSA-N 1 2 361.446 -0.296 20 30 FBEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@@H](CN(C)c3nccn(C)c3=O)C2)C1=O ZINC000328807448 483901795 /nfs/dbraw/zinc/90/17/95/483901795.db2.gz MCSRYPKGCDDMEM-GJZGRUSLSA-N 1 2 361.446 -0.296 20 30 FBEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@H](CN(C)c3nccn(C)c3=O)C2)C1=O ZINC000328807451 483901831 /nfs/dbraw/zinc/90/18/31/483901831.db2.gz MCSRYPKGCDDMEM-HUUCEWRRSA-N 1 2 361.446 -0.296 20 30 FBEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@H](CN(C)c3nccn(C)c3=O)C2)C1=O ZINC000328807451 483901830 /nfs/dbraw/zinc/90/18/30/483901830.db2.gz MCSRYPKGCDDMEM-HUUCEWRRSA-N 1 2 361.446 -0.296 20 30 FBEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@@H](CN(C)c3nccn(C)c3=O)C2)C1=O ZINC000328807453 483901721 /nfs/dbraw/zinc/90/17/21/483901721.db2.gz MCSRYPKGCDDMEM-LSDHHAIUSA-N 1 2 361.446 -0.296 20 30 FBEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@@H](CN(C)c3nccn(C)c3=O)C2)C1=O ZINC000328807453 483901718 /nfs/dbraw/zinc/90/17/18/483901718.db2.gz MCSRYPKGCDDMEM-LSDHHAIUSA-N 1 2 361.446 -0.296 20 30 FBEDLO CCS(=O)(=O)N1CCC(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000328811600 483901932 /nfs/dbraw/zinc/90/19/32/483901932.db2.gz MVAVWGGTLHVKRD-KBPBESRZSA-N 1 2 360.480 -0.271 20 30 FBEDLO CCS(=O)(=O)N1CCC(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000328811600 483901929 /nfs/dbraw/zinc/90/19/29/483901929.db2.gz MVAVWGGTLHVKRD-KBPBESRZSA-N 1 2 360.480 -0.271 20 30 FBEDLO CCS(=O)(=O)N1CCC(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CC1 ZINC000328811603 483901672 /nfs/dbraw/zinc/90/16/72/483901672.db2.gz MVAVWGGTLHVKRD-KGLIPLIRSA-N 1 2 360.480 -0.271 20 30 FBEDLO CCS(=O)(=O)N1CCC(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CC1 ZINC000328811603 483901670 /nfs/dbraw/zinc/90/16/70/483901670.db2.gz MVAVWGGTLHVKRD-KGLIPLIRSA-N 1 2 360.480 -0.271 20 30 FBEDLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)N[C@H]3CC3(C)C)CC2)CC1 ZINC000328828154 483902406 /nfs/dbraw/zinc/90/24/06/483902406.db2.gz SVURYWKCYQZJDV-ZDUSSCGKSA-N 1 2 359.496 -0.191 20 30 FBEDLO C[C@H](NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)[C@H](C)[NH+]1CCOCC1 ZINC000328830536 483902874 /nfs/dbraw/zinc/90/28/74/483902874.db2.gz UZEUNTVAUVEAMF-IHRRRGAJSA-N 1 2 362.496 -0.119 20 30 FBEDLO C[C@H]([C@H](C)NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC000328830546 483902866 /nfs/dbraw/zinc/90/28/66/483902866.db2.gz UZEUNTVAUVEAMF-MJBXVCDLSA-N 1 2 362.496 -0.119 20 30 FBEDLO C[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)[NH+]1CCOCC1 ZINC000328861030 657459763 /nfs/dbraw/zinc/45/97/63/657459763.db2.gz YWIXQSZZFLGXQM-CABCVRRESA-N 1 2 354.451 -0.056 20 30 FBEDLO C[C@H](CNC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)[NH+]1CCOCC1 ZINC000328861031 657460111 /nfs/dbraw/zinc/46/01/11/657460111.db2.gz YWIXQSZZFLGXQM-HUUCEWRRSA-N 1 2 354.451 -0.056 20 30 FBEDLO O=C(CNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)N1CCCC1 ZINC000328869346 483903387 /nfs/dbraw/zinc/90/33/87/483903387.db2.gz PDNRDFSAELCDPW-UHFFFAOYSA-N 1 2 361.450 -0.275 20 30 FBEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NC3CCN(S(C)(=O)=O)CC3)C[C@@H]21 ZINC000328872865 483904158 /nfs/dbraw/zinc/90/41/58/483904158.db2.gz IVZZRPMUTQESEM-UONOGXRCSA-N 1 2 360.480 -0.271 20 30 FBEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC3CCN(S(C)(=O)=O)CC3)C[C@@H]21 ZINC000328872865 483904154 /nfs/dbraw/zinc/90/41/54/483904154.db2.gz IVZZRPMUTQESEM-UONOGXRCSA-N 1 2 360.480 -0.271 20 30 FBEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NC3CCN(S(C)(=O)=O)CC3)C[C@H]21 ZINC000328872866 483903607 /nfs/dbraw/zinc/90/36/07/483903607.db2.gz IVZZRPMUTQESEM-ZIAGYGMSSA-N 1 2 360.480 -0.271 20 30 FBEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC3CCN(S(C)(=O)=O)CC3)C[C@H]21 ZINC000328872866 483903602 /nfs/dbraw/zinc/90/36/02/483903602.db2.gz IVZZRPMUTQESEM-ZIAGYGMSSA-N 1 2 360.480 -0.271 20 30 FBEDLO CC[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)C(=O)N1CCOCC1 ZINC000328876005 483904018 /nfs/dbraw/zinc/90/40/18/483904018.db2.gz KAJJZFGHRGXZNY-KKUMJFAQSA-N 1 2 354.451 -0.057 20 30 FBEDLO CC[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)C(=O)N1CCOCC1 ZINC000328876005 483904014 /nfs/dbraw/zinc/90/40/14/483904014.db2.gz KAJJZFGHRGXZNY-KKUMJFAQSA-N 1 2 354.451 -0.057 20 30 FBEDLO CC[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)C(=O)N1CCOCC1 ZINC000328876260 483904147 /nfs/dbraw/zinc/90/41/47/483904147.db2.gz KAJJZFGHRGXZNY-ZNMIVQPWSA-N 1 2 354.451 -0.057 20 30 FBEDLO CC[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)C(=O)N1CCOCC1 ZINC000328876260 483904144 /nfs/dbraw/zinc/90/41/44/483904144.db2.gz KAJJZFGHRGXZNY-ZNMIVQPWSA-N 1 2 354.451 -0.057 20 30 FBEDLO CCS(=O)(=O)N1CC(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000328885870 483905336 /nfs/dbraw/zinc/90/53/36/483905336.db2.gz OOYGBUMTWCOCLQ-KBPBESRZSA-N 1 2 360.480 -0.413 20 30 FBEDLO CCS(=O)(=O)N1CC(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000328885870 483905332 /nfs/dbraw/zinc/90/53/32/483905332.db2.gz OOYGBUMTWCOCLQ-KBPBESRZSA-N 1 2 360.480 -0.413 20 30 FBEDLO CCS(=O)(=O)N1CC(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)C1 ZINC000328885872 483904914 /nfs/dbraw/zinc/90/49/14/483904914.db2.gz OOYGBUMTWCOCLQ-KGLIPLIRSA-N 1 2 360.480 -0.413 20 30 FBEDLO CCS(=O)(=O)N1CC(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)C1 ZINC000328885872 483904908 /nfs/dbraw/zinc/90/49/08/483904908.db2.gz OOYGBUMTWCOCLQ-KGLIPLIRSA-N 1 2 360.480 -0.413 20 30 FBEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000328887314 483905592 /nfs/dbraw/zinc/90/55/92/483905592.db2.gz PJRQAFMDNAOADI-GFCCVEGCSA-N 1 2 363.418 -0.801 20 30 FBEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000328887315 483904503 /nfs/dbraw/zinc/90/45/03/483904503.db2.gz PJRQAFMDNAOADI-LBPRGKRZSA-N 1 2 363.418 -0.801 20 30 FBEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCC3CCN(S(C)(=O)=O)CC3)C[C@H]21 ZINC000328887432 483905475 /nfs/dbraw/zinc/90/54/75/483905475.db2.gz PLJJGWYIECRTHA-HUUCEWRRSA-N 1 2 374.507 -0.023 20 30 FBEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCC3CCN(S(C)(=O)=O)CC3)C[C@H]21 ZINC000328887432 483905470 /nfs/dbraw/zinc/90/54/70/483905470.db2.gz PLJJGWYIECRTHA-HUUCEWRRSA-N 1 2 374.507 -0.023 20 30 FBEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCC3CCN(S(C)(=O)=O)CC3)C[C@@H]21 ZINC000328887433 483905496 /nfs/dbraw/zinc/90/54/96/483905496.db2.gz PLJJGWYIECRTHA-LSDHHAIUSA-N 1 2 374.507 -0.023 20 30 FBEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCC3CCN(S(C)(=O)=O)CC3)C[C@@H]21 ZINC000328887433 483905492 /nfs/dbraw/zinc/90/54/92/483905492.db2.gz PLJJGWYIECRTHA-LSDHHAIUSA-N 1 2 374.507 -0.023 20 30 FBEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)C[C@H]21 ZINC000328890960 483905102 /nfs/dbraw/zinc/90/51/02/483905102.db2.gz SBTSUOPCMJEEQH-BFHYXJOUSA-N 1 2 360.480 -0.413 20 30 FBEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)C[C@H]21 ZINC000328890960 483905098 /nfs/dbraw/zinc/90/50/98/483905098.db2.gz SBTSUOPCMJEEQH-BFHYXJOUSA-N 1 2 360.480 -0.413 20 30 FBEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)C[C@@H]21 ZINC000328890962 483905271 /nfs/dbraw/zinc/90/52/71/483905271.db2.gz SBTSUOPCMJEEQH-MELADBBJSA-N 1 2 360.480 -0.413 20 30 FBEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)C[C@@H]21 ZINC000328890962 483905269 /nfs/dbraw/zinc/90/52/69/483905269.db2.gz SBTSUOPCMJEEQH-MELADBBJSA-N 1 2 360.480 -0.413 20 30 FBEDLO Cn1ncnc1[C@H]1COCCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000328900615 483903979 /nfs/dbraw/zinc/90/39/79/483903979.db2.gz YDQYSIZJVITGHK-CYBMUJFWSA-N 1 2 350.423 -0.033 20 30 FBEDLO Cn1ncnc1[C@@H]1COCCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000328900616 483903472 /nfs/dbraw/zinc/90/34/72/483903472.db2.gz YDQYSIZJVITGHK-ZDUSSCGKSA-N 1 2 350.423 -0.033 20 30 FBEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)C[C@@H]21 ZINC000328901700 483903524 /nfs/dbraw/zinc/90/35/24/483903524.db2.gz ZKQUBPGGHCLPKX-HZSPNIEDSA-N 1 2 360.480 -0.271 20 30 FBEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)C[C@@H]21 ZINC000328901700 483903520 /nfs/dbraw/zinc/90/35/20/483903520.db2.gz ZKQUBPGGHCLPKX-HZSPNIEDSA-N 1 2 360.480 -0.271 20 30 FBEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)C[C@H]21 ZINC000328901701 483903425 /nfs/dbraw/zinc/90/34/25/483903425.db2.gz ZKQUBPGGHCLPKX-MGPQQGTHSA-N 1 2 360.480 -0.271 20 30 FBEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)C[C@H]21 ZINC000328901701 483903421 /nfs/dbraw/zinc/90/34/21/483903421.db2.gz ZKQUBPGGHCLPKX-MGPQQGTHSA-N 1 2 360.480 -0.271 20 30 FBEDLO Cn1c(NCC[NH+]2CCN(C(=O)C3CCC3)CC2)c(C#N)c(=O)n(C)c1=O ZINC000328921245 484841104 /nfs/dbraw/zinc/84/11/04/484841104.db2.gz MCBPNNSTQAEZED-UHFFFAOYSA-N 1 2 374.445 -0.688 20 30 FBEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000328933920 483906083 /nfs/dbraw/zinc/90/60/83/483906083.db2.gz CAHNOUFZXOEDDN-MCIONIFRSA-N 1 2 373.475 -0.301 20 30 FBEDLO Cn1cc(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)c(=O)[nH]c1=O ZINC000328941104 483905888 /nfs/dbraw/zinc/90/58/88/483905888.db2.gz SUSYKARMIHNRAP-UHFFFAOYSA-N 1 2 363.418 -0.265 20 30 FBEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000328941416 483906632 /nfs/dbraw/zinc/90/66/32/483906632.db2.gz HZZCDAQAFZVWHZ-GJZGRUSLSA-N 1 2 354.451 -0.056 20 30 FBEDLO O=C(NCC[NH+]1CCOCC1)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000328943104 483906291 /nfs/dbraw/zinc/90/62/91/483906291.db2.gz IVIWRCIZPHFXFD-KRWDZBQOSA-N 1 2 354.451 -0.318 20 30 FBEDLO O=C(NCC[NH+]1CCOCC1)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000328943105 483906148 /nfs/dbraw/zinc/90/61/48/483906148.db2.gz IVIWRCIZPHFXFD-QGZVFWFLSA-N 1 2 354.451 -0.318 20 30 FBEDLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc2n[nH]c(=O)n2c1 ZINC000328956313 483907640 /nfs/dbraw/zinc/90/76/40/483907640.db2.gz ZFSGUZFPKBPIQQ-CYBMUJFWSA-N 1 2 374.401 -0.327 20 30 FBEDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc2n[nH]c(=O)n2c1 ZINC000328956314 483907623 /nfs/dbraw/zinc/90/76/23/483907623.db2.gz ZFSGUZFPKBPIQQ-ZDUSSCGKSA-N 1 2 374.401 -0.327 20 30 FBEDLO Cn1nccc1[C@H]1[C@H](NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)CC(=O)N1C ZINC000328972439 483910578 /nfs/dbraw/zinc/91/05/78/483910578.db2.gz BUTNIIYCBQSDFY-WOSRLPQWSA-N 1 2 363.466 -0.559 20 30 FBEDLO Cn1nccc1[C@H]1[C@H](NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)CC(=O)N1C ZINC000328972439 483910575 /nfs/dbraw/zinc/91/05/75/483910575.db2.gz BUTNIIYCBQSDFY-WOSRLPQWSA-N 1 2 363.466 -0.559 20 30 FBEDLO Cn1nccc1[C@H]1[C@H](NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)CC(=O)N1C ZINC000328972445 483910909 /nfs/dbraw/zinc/91/09/09/483910909.db2.gz BUTNIIYCBQSDFY-XJKCOSOUSA-N 1 2 363.466 -0.559 20 30 FBEDLO Cn1nccc1[C@H]1[C@H](NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)CC(=O)N1C ZINC000328972445 483910905 /nfs/dbraw/zinc/91/09/05/483910905.db2.gz BUTNIIYCBQSDFY-XJKCOSOUSA-N 1 2 363.466 -0.559 20 30 FBEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 ZINC000328991639 484472533 /nfs/dbraw/zinc/47/25/33/484472533.db2.gz DINYZSILRZZIEB-HNNXBMFYSA-N 1 2 370.457 0.520 20 30 FBEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 ZINC000328991642 484111097 /nfs/dbraw/zinc/11/10/97/484111097.db2.gz DINYZSILRZZIEB-OAHLLOKOSA-N 1 2 370.457 0.520 20 30 FBEDLO C[C@H](CNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[NH+]1CCOCC1 ZINC000329001395 484203061 /nfs/dbraw/zinc/20/30/61/484203061.db2.gz GYEGKRPQDJBTDC-MCIONIFRSA-N 1 2 373.475 -0.301 20 30 FBEDLO C[C@H](CNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[NH+]1CCOCC1 ZINC000329001396 484202650 /nfs/dbraw/zinc/20/26/50/484202650.db2.gz GYEGKRPQDJBTDC-MGPQQGTHSA-N 1 2 373.475 -0.301 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@@H](F)C[C@H]3CO)CC2)o1 ZINC000329018544 484841051 /nfs/dbraw/zinc/84/10/51/484841051.db2.gz HDPMYFZDAREWEJ-STQMWFEESA-N 1 2 351.382 -0.092 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@@H](F)C[C@H]3CO)CC2)o1 ZINC000329018544 484841047 /nfs/dbraw/zinc/84/10/47/484841047.db2.gz HDPMYFZDAREWEJ-STQMWFEESA-N 1 2 351.382 -0.092 20 30 FBEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 ZINC000329037578 484207396 /nfs/dbraw/zinc/20/73/96/484207396.db2.gz RRWGXIKXGVGHDI-LLVKDONJSA-N 1 2 351.407 -0.468 20 30 FBEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 ZINC000329037582 484207925 /nfs/dbraw/zinc/20/79/25/484207925.db2.gz RRWGXIKXGVGHDI-NSHDSACASA-N 1 2 351.407 -0.468 20 30 FBEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CC1 ZINC000329054560 484208672 /nfs/dbraw/zinc/20/86/72/484208672.db2.gz ARIJJQPKSRMOHE-ARFHVFGLSA-N 1 2 368.503 -0.202 20 30 FBEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CC1 ZINC000329054560 484208666 /nfs/dbraw/zinc/20/86/66/484208666.db2.gz ARIJJQPKSRMOHE-ARFHVFGLSA-N 1 2 368.503 -0.202 20 30 FBEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CC1 ZINC000329054564 484209569 /nfs/dbraw/zinc/20/95/69/484209569.db2.gz ARIJJQPKSRMOHE-HRCADAONSA-N 1 2 368.503 -0.202 20 30 FBEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CC1 ZINC000329054564 484209564 /nfs/dbraw/zinc/20/95/64/484209564.db2.gz ARIJJQPKSRMOHE-HRCADAONSA-N 1 2 368.503 -0.202 20 30 FBEDLO CC(=O)N1CC[NH+](CCNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC000329082603 484210402 /nfs/dbraw/zinc/21/04/02/484210402.db2.gz DSYCLHWUBNQCRI-UHFFFAOYSA-N 1 2 374.401 -0.497 20 30 FBEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000329086241 484211679 /nfs/dbraw/zinc/21/16/79/484211679.db2.gz GRONULZSGWOGLQ-LLVKDONJSA-N 1 2 364.406 -0.889 20 30 FBEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000329086241 484211675 /nfs/dbraw/zinc/21/16/75/484211675.db2.gz GRONULZSGWOGLQ-LLVKDONJSA-N 1 2 364.406 -0.889 20 30 FBEDLO C[C@H]1COCC[N@H+]1CCNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000329086251 484210740 /nfs/dbraw/zinc/21/07/40/484210740.db2.gz GRONULZSGWOGLQ-NSHDSACASA-N 1 2 364.406 -0.889 20 30 FBEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000329086251 484210732 /nfs/dbraw/zinc/21/07/32/484210732.db2.gz GRONULZSGWOGLQ-NSHDSACASA-N 1 2 364.406 -0.889 20 30 FBEDLO CS(=O)(=O)NCC1CC[NH+](CC(=O)NCC(=O)N2CCCC2)CC1 ZINC000329086653 484210940 /nfs/dbraw/zinc/21/09/40/484210940.db2.gz UXFVYABVABMBEI-UHFFFAOYSA-N 1 2 360.480 -0.174 20 30 FBEDLO C[C@]1(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCS(=O)(=O)C1 ZINC000329091258 657542895 /nfs/dbraw/zinc/54/28/95/657542895.db2.gz JKZMTTTUZFXAQP-BBRMVZONSA-N 1 2 373.475 -0.299 20 30 FBEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000329094741 484213376 /nfs/dbraw/zinc/21/33/76/484213376.db2.gz BDBMNWXMJYCKQE-HUUCEWRRSA-N 1 2 354.451 -0.198 20 30 FBEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000329094741 484213370 /nfs/dbraw/zinc/21/33/70/484213370.db2.gz BDBMNWXMJYCKQE-HUUCEWRRSA-N 1 2 354.451 -0.198 20 30 FBEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000329094742 484213577 /nfs/dbraw/zinc/21/35/77/484213577.db2.gz BDBMNWXMJYCKQE-LSDHHAIUSA-N 1 2 354.451 -0.198 20 30 FBEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000329094742 484213571 /nfs/dbraw/zinc/21/35/71/484213571.db2.gz BDBMNWXMJYCKQE-LSDHHAIUSA-N 1 2 354.451 -0.198 20 30 FBEDLO Cc1nc(S(=O)(=O)NCC(=O)NC[C@@H](C)[NH+]2CCOCC2)cn1C ZINC000329098596 657551477 /nfs/dbraw/zinc/55/14/77/657551477.db2.gz CVOBSBFQTFEKGB-LLVKDONJSA-N 1 2 359.452 -0.316 20 30 FBEDLO Cc1nc(S(=O)(=O)NCC(=O)NC[C@H](C)[NH+]2CCOCC2)cn1C ZINC000329098597 657551138 /nfs/dbraw/zinc/55/11/38/657551138.db2.gz CVOBSBFQTFEKGB-NSHDSACASA-N 1 2 359.452 -0.316 20 30 FBEDLO Cc1nc(S(=O)(=O)NCC(=O)NCC[N@@H+]2CCOC[C@H]2C)cn1C ZINC000329099751 657551202 /nfs/dbraw/zinc/55/12/02/657551202.db2.gz MJUJTSLOLFYHLM-LLVKDONJSA-N 1 2 359.452 -0.316 20 30 FBEDLO Cc1nc(S(=O)(=O)NCC(=O)NCC[N@H+]2CCOC[C@H]2C)cn1C ZINC000329099751 657551198 /nfs/dbraw/zinc/55/11/98/657551198.db2.gz MJUJTSLOLFYHLM-LLVKDONJSA-N 1 2 359.452 -0.316 20 30 FBEDLO Cc1nc(S(=O)(=O)NCC(=O)NCC[N@@H+]2CCOC[C@@H]2C)cn1C ZINC000329099752 657550924 /nfs/dbraw/zinc/55/09/24/657550924.db2.gz MJUJTSLOLFYHLM-NSHDSACASA-N 1 2 359.452 -0.316 20 30 FBEDLO Cc1nc(S(=O)(=O)NCC(=O)NCC[N@H+]2CCOC[C@@H]2C)cn1C ZINC000329099752 657550918 /nfs/dbraw/zinc/55/09/18/657550918.db2.gz MJUJTSLOLFYHLM-NSHDSACASA-N 1 2 359.452 -0.316 20 30 FBEDLO Cc1nc(S(=O)(=O)NCC(=O)N[C@H](C)C[NH+]2CCOCC2)cn1C ZINC000329103178 484213132 /nfs/dbraw/zinc/21/31/32/484213132.db2.gz FYMOCYIJDOAOFZ-LLVKDONJSA-N 1 2 359.452 -0.316 20 30 FBEDLO Cc1nc(S(=O)(=O)NCC(=O)N[C@@H](C)C[NH+]2CCOCC2)cn1C ZINC000329103179 484212776 /nfs/dbraw/zinc/21/27/76/484212776.db2.gz FYMOCYIJDOAOFZ-NSHDSACASA-N 1 2 359.452 -0.316 20 30 FBEDLO C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(C(=O)N3CCOCC3)CC2)C1 ZINC000329106909 484214974 /nfs/dbraw/zinc/21/49/74/484214974.db2.gz OXMPISTUFWQBCV-HNNXBMFYSA-N 1 2 354.451 -0.198 20 30 FBEDLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(C(=O)N3CCOCC3)CC2)C1 ZINC000329106909 484214968 /nfs/dbraw/zinc/21/49/68/484214968.db2.gz OXMPISTUFWQBCV-HNNXBMFYSA-N 1 2 354.451 -0.198 20 30 FBEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCC(C(=O)N3CCOCC3)CC2)C1 ZINC000329106910 484214324 /nfs/dbraw/zinc/21/43/24/484214324.db2.gz OXMPISTUFWQBCV-OAHLLOKOSA-N 1 2 354.451 -0.198 20 30 FBEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(C(=O)N3CCOCC3)CC2)C1 ZINC000329106910 484214319 /nfs/dbraw/zinc/21/43/19/484214319.db2.gz OXMPISTUFWQBCV-OAHLLOKOSA-N 1 2 354.451 -0.198 20 30 FBEDLO Cc1nc(S(=O)(=O)NCC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)cn1C ZINC000329114050 484214388 /nfs/dbraw/zinc/21/43/88/484214388.db2.gz LRHLCMRSUCAEFS-GFCCVEGCSA-N 1 2 372.495 -0.401 20 30 FBEDLO Cc1nc(S(=O)(=O)NCC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)cn1C ZINC000329114051 484214460 /nfs/dbraw/zinc/21/44/60/484214460.db2.gz LRHLCMRSUCAEFS-LBPRGKRZSA-N 1 2 372.495 -0.401 20 30 FBEDLO Cn1nccc1[C@H]1[C@H](NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CCC(=O)N1C ZINC000329125266 484216762 /nfs/dbraw/zinc/21/67/62/484216762.db2.gz MEWXLMFGXUATSZ-WOSRLPQWSA-N 1 2 364.450 -0.084 20 30 FBEDLO Cn1nccc1[C@H]1[C@H](NC(=O)NC[C@H]2C[N@H+](C)CCO2)CCC(=O)N1C ZINC000329125266 484216758 /nfs/dbraw/zinc/21/67/58/484216758.db2.gz MEWXLMFGXUATSZ-WOSRLPQWSA-N 1 2 364.450 -0.084 20 30 FBEDLO Cn1nccc1[C@H]1[C@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCC(=O)N1C ZINC000329125268 484216577 /nfs/dbraw/zinc/21/65/77/484216577.db2.gz MEWXLMFGXUATSZ-XJKCOSOUSA-N 1 2 364.450 -0.084 20 30 FBEDLO Cn1nccc1[C@H]1[C@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)CCC(=O)N1C ZINC000329125268 484216573 /nfs/dbraw/zinc/21/65/73/484216573.db2.gz MEWXLMFGXUATSZ-XJKCOSOUSA-N 1 2 364.450 -0.084 20 30 FBEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000329133604 484216471 /nfs/dbraw/zinc/21/64/71/484216471.db2.gz PQWRHQAXRGYBDH-KKUMJFAQSA-N 1 2 354.451 -0.057 20 30 FBEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000329133604 484216464 /nfs/dbraw/zinc/21/64/64/484216464.db2.gz PQWRHQAXRGYBDH-KKUMJFAQSA-N 1 2 354.451 -0.057 20 30 FBEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000329133605 484216900 /nfs/dbraw/zinc/21/69/00/484216900.db2.gz PQWRHQAXRGYBDH-ZNMIVQPWSA-N 1 2 354.451 -0.057 20 30 FBEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000329133605 484216898 /nfs/dbraw/zinc/21/68/98/484216898.db2.gz PQWRHQAXRGYBDH-ZNMIVQPWSA-N 1 2 354.451 -0.057 20 30 FBEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@](O)(C(=O)N3CCCC3)C2)C1 ZINC000329142171 484217857 /nfs/dbraw/zinc/21/78/57/484217857.db2.gz UTQNYGRSBJFJFH-PBHICJAKSA-N 1 2 354.451 -0.320 20 30 FBEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@](O)(C(=O)N3CCCC3)C2)C1 ZINC000329142171 484217853 /nfs/dbraw/zinc/21/78/53/484217853.db2.gz UTQNYGRSBJFJFH-PBHICJAKSA-N 1 2 354.451 -0.320 20 30 FBEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@](O)(C(=O)N3CCCC3)C2)C1 ZINC000329142173 484218739 /nfs/dbraw/zinc/21/87/39/484218739.db2.gz UTQNYGRSBJFJFH-RHSMWYFYSA-N 1 2 354.451 -0.320 20 30 FBEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@](O)(C(=O)N3CCCC3)C2)C1 ZINC000329142173 484218736 /nfs/dbraw/zinc/21/87/36/484218736.db2.gz UTQNYGRSBJFJFH-RHSMWYFYSA-N 1 2 354.451 -0.320 20 30 FBEDLO Cc1nc(S(=O)(=O)NCC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)cn1C ZINC000329147208 657671231 /nfs/dbraw/zinc/67/12/31/657671231.db2.gz AVKQXQMZFMFTTL-GFCCVEGCSA-N 1 2 372.495 -0.401 20 30 FBEDLO Cc1nc(S(=O)(=O)NCC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)cn1C ZINC000329147210 657671405 /nfs/dbraw/zinc/67/14/05/657671405.db2.gz AVKQXQMZFMFTTL-LBPRGKRZSA-N 1 2 372.495 -0.401 20 30 FBEDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000329154139 484219718 /nfs/dbraw/zinc/21/97/18/484219718.db2.gz UOSKZLGTRRKWTB-GFCCVEGCSA-N 1 2 360.480 -0.081 20 30 FBEDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000329154139 484219716 /nfs/dbraw/zinc/21/97/16/484219716.db2.gz UOSKZLGTRRKWTB-GFCCVEGCSA-N 1 2 360.480 -0.081 20 30 FBEDLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000329154142 484219905 /nfs/dbraw/zinc/21/99/05/484219905.db2.gz UOSKZLGTRRKWTB-LBPRGKRZSA-N 1 2 360.480 -0.081 20 30 FBEDLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000329154142 484219902 /nfs/dbraw/zinc/21/99/02/484219902.db2.gz UOSKZLGTRRKWTB-LBPRGKRZSA-N 1 2 360.480 -0.081 20 30 FBEDLO Cn1cc[nH+]c1CNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000329180809 484220767 /nfs/dbraw/zinc/22/07/67/484220767.db2.gz NELKWPJUJZSSFD-UHFFFAOYSA-N 1 2 372.451 -0.971 20 30 FBEDLO CCS(=O)(=O)N1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000329191207 484222043 /nfs/dbraw/zinc/22/20/43/484222043.db2.gz SDUWSBXCHZYHTN-AWEZNQCLSA-N 1 2 361.512 -0.496 20 30 FBEDLO CCS(=O)(=O)N1CCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000329191208 484220899 /nfs/dbraw/zinc/22/08/99/484220899.db2.gz SDUWSBXCHZYHTN-CQSZACIVSA-N 1 2 361.512 -0.496 20 30 FBEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329191251 484220914 /nfs/dbraw/zinc/22/09/14/484220914.db2.gz SGDGNFDWSKQFCU-CVEARBPZSA-N 1 2 367.494 -0.141 20 30 FBEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329191252 484221728 /nfs/dbraw/zinc/22/17/28/484221728.db2.gz SGDGNFDWSKQFCU-HZPDHXFCSA-N 1 2 367.494 -0.141 20 30 FBEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000329206399 484223001 /nfs/dbraw/zinc/22/30/01/484223001.db2.gz ZNOVBWYDZTVFJR-AWEZNQCLSA-N 1 2 361.512 -0.496 20 30 FBEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000329206402 484222848 /nfs/dbraw/zinc/22/28/48/484222848.db2.gz ZNOVBWYDZTVFJR-CQSZACIVSA-N 1 2 361.512 -0.496 20 30 FBEDLO O=C(CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCOCC1 ZINC000329207407 484222758 /nfs/dbraw/zinc/22/27/58/484222758.db2.gz FDZSEAJKBBLMAB-UHFFFAOYSA-N 1 2 366.422 -0.600 20 30 FBEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 ZINC000329228591 484224979 /nfs/dbraw/zinc/22/49/79/484224979.db2.gz ITYMGTYVJJWPPZ-CHWSQXEVSA-N 1 2 360.480 -0.223 20 30 FBEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 ZINC000329228591 484224974 /nfs/dbraw/zinc/22/49/74/484224974.db2.gz ITYMGTYVJJWPPZ-CHWSQXEVSA-N 1 2 360.480 -0.223 20 30 FBEDLO C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 ZINC000329228592 484224711 /nfs/dbraw/zinc/22/47/11/484224711.db2.gz ITYMGTYVJJWPPZ-OLZOCXBDSA-N 1 2 360.480 -0.223 20 30 FBEDLO C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 ZINC000329228592 484224704 /nfs/dbraw/zinc/22/47/04/484224704.db2.gz ITYMGTYVJJWPPZ-OLZOCXBDSA-N 1 2 360.480 -0.223 20 30 FBEDLO C[C@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCS1(=O)=O ZINC000329228599 484225565 /nfs/dbraw/zinc/22/55/65/484225565.db2.gz BVKHNHVMXVMIPM-IHRRRGAJSA-N 1 2 373.475 -0.301 20 30 FBEDLO C[C@H]1[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCS1(=O)=O ZINC000329228601 484225198 /nfs/dbraw/zinc/22/51/98/484225198.db2.gz BVKHNHVMXVMIPM-MJBXVCDLSA-N 1 2 373.475 -0.301 20 30 FBEDLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000329228927 484225573 /nfs/dbraw/zinc/22/55/73/484225573.db2.gz IZAOLUWAIODQPM-QLFBSQMISA-N 1 2 352.435 -0.651 20 30 FBEDLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000329228928 484225218 /nfs/dbraw/zinc/22/52/18/484225218.db2.gz IZAOLUWAIODQPM-SOUVJXGZSA-N 1 2 352.435 -0.651 20 30 FBEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 ZINC000329235090 484225070 /nfs/dbraw/zinc/22/50/70/484225070.db2.gz NFCMNKLKCUPBMU-KGLIPLIRSA-N 1 2 373.523 -0.308 20 30 FBEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 ZINC000329235090 484225063 /nfs/dbraw/zinc/22/50/63/484225063.db2.gz NFCMNKLKCUPBMU-KGLIPLIRSA-N 1 2 373.523 -0.308 20 30 FBEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 ZINC000329235091 484225041 /nfs/dbraw/zinc/22/50/41/484225041.db2.gz NFCMNKLKCUPBMU-ZIAGYGMSSA-N 1 2 373.523 -0.308 20 30 FBEDLO CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 ZINC000329235091 484225035 /nfs/dbraw/zinc/22/50/35/484225035.db2.gz NFCMNKLKCUPBMU-ZIAGYGMSSA-N 1 2 373.523 -0.308 20 30 FBEDLO C[C@H]([C@H](C)NC(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O)[NH+]1CCOCC1 ZINC000329236180 484224570 /nfs/dbraw/zinc/22/45/70/484224570.db2.gz JISRPPIVEQMJJD-HWWQOWPSSA-N 1 2 353.423 -0.160 20 30 FBEDLO C[C@H](NC(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O)[C@H](C)[NH+]1CCOCC1 ZINC000329236181 484224543 /nfs/dbraw/zinc/22/45/43/484224543.db2.gz JISRPPIVEQMJJD-MQIPJXDCSA-N 1 2 353.423 -0.160 20 30 FBEDLO Cn1cnn(CC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)c1=O ZINC000329240180 484226944 /nfs/dbraw/zinc/22/69/44/484226944.db2.gz MMPKKUWIMSVPSP-UHFFFAOYSA-N 1 2 350.423 -0.517 20 30 FBEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC(=O)N2CCOCC2)CC1 ZINC000329243705 484227056 /nfs/dbraw/zinc/22/70/56/484227056.db2.gz TWTQDTGYZURLIE-CYBMUJFWSA-N 1 2 367.450 -0.116 20 30 FBEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000329247273 484226397 /nfs/dbraw/zinc/22/63/97/484226397.db2.gz WAVLFJMTJBEOSY-KBPBESRZSA-N 1 2 361.512 -0.498 20 30 FBEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000329247275 484226118 /nfs/dbraw/zinc/22/61/18/484226118.db2.gz WAVLFJMTJBEOSY-KGLIPLIRSA-N 1 2 361.512 -0.498 20 30 FBEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCC(=O)N3CCOCC3)C2)CC1 ZINC000329254893 484226739 /nfs/dbraw/zinc/22/67/39/484226739.db2.gz DEIXNLNKWAGISZ-HNNXBMFYSA-N 1 2 353.467 -0.529 20 30 FBEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCC(=O)N3CCOCC3)C2)CC1 ZINC000329254901 484226248 /nfs/dbraw/zinc/22/62/48/484226248.db2.gz DEIXNLNKWAGISZ-OAHLLOKOSA-N 1 2 353.467 -0.529 20 30 FBEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000329257537 484226685 /nfs/dbraw/zinc/22/66/85/484226685.db2.gz DYTHCWYIRHFFFO-ILXRZTDVSA-N 1 2 374.507 -0.023 20 30 FBEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000329257538 484227024 /nfs/dbraw/zinc/22/70/24/484227024.db2.gz DYTHCWYIRHFFFO-KFWWJZLASA-N 1 2 374.507 -0.023 20 30 FBEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCC(=O)N1CCOCC1 ZINC000329270289 484228618 /nfs/dbraw/zinc/22/86/18/484228618.db2.gz ITRRCDZHGLICSW-CABCVRRESA-N 1 2 354.451 -0.056 20 30 FBEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCC(=O)N1CCOCC1 ZINC000329270290 484227843 /nfs/dbraw/zinc/22/78/43/484227843.db2.gz ITRRCDZHGLICSW-HUUCEWRRSA-N 1 2 354.451 -0.056 20 30 FBEDLO Cn1ccc(N2CCC[C@@H](NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)C2=O)n1 ZINC000329277034 484230359 /nfs/dbraw/zinc/23/03/59/484230359.db2.gz CFFPQJSJQNYVLT-HZSPNIEDSA-N 1 2 362.434 -0.156 20 30 FBEDLO Cn1ccc(N2CCC[C@@H](NC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)C2=O)n1 ZINC000329277034 484230353 /nfs/dbraw/zinc/23/03/53/484230353.db2.gz CFFPQJSJQNYVLT-HZSPNIEDSA-N 1 2 362.434 -0.156 20 30 FBEDLO Cn1ccc(N2CCC[C@@H](NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)C2=O)n1 ZINC000329277035 484229036 /nfs/dbraw/zinc/22/90/36/484229036.db2.gz CFFPQJSJQNYVLT-MGPQQGTHSA-N 1 2 362.434 -0.156 20 30 FBEDLO Cn1ccc(N2CCC[C@@H](NC(=O)N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)C2=O)n1 ZINC000329277035 484229031 /nfs/dbraw/zinc/22/90/31/484229031.db2.gz CFFPQJSJQNYVLT-MGPQQGTHSA-N 1 2 362.434 -0.156 20 30 FBEDLO O=C(NCC(=O)N1CCOCC1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000329279046 484230189 /nfs/dbraw/zinc/23/01/89/484230189.db2.gz MINWPJAFCSKJGP-UHFFFAOYSA-N 1 2 363.418 -0.219 20 30 FBEDLO Cn1cc(C[NH+]2CCN(C(=O)NCC(=O)N3CCOCC3)CC2)cn1 ZINC000329294896 484229668 /nfs/dbraw/zinc/22/96/68/484229668.db2.gz SGBHSJMILRPPBC-UHFFFAOYSA-N 1 2 350.423 -0.690 20 30 FBEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000329305451 484231167 /nfs/dbraw/zinc/23/11/67/484231167.db2.gz YHVNFHCIEBZHJV-HRCADAONSA-N 1 2 368.478 -0.015 20 30 FBEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000329305453 484231369 /nfs/dbraw/zinc/23/13/69/484231369.db2.gz YHVNFHCIEBZHJV-OWCLPIDISA-N 1 2 368.478 -0.015 20 30 FBEDLO O=C(C[NH+]1CCOCC1)N1CCN(C([O-])=[NH+]CCn2cccn2)CC1 ZINC000329306932 484231030 /nfs/dbraw/zinc/23/10/30/484231030.db2.gz PKWUUJUNPYHHOO-UHFFFAOYSA-N 1 2 350.423 -0.727 20 30 FBEDLO CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000329314659 484232223 /nfs/dbraw/zinc/23/22/23/484232223.db2.gz QGSNNIZCMARUND-AWEZNQCLSA-N 1 2 369.466 -0.709 20 30 FBEDLO CC(=O)N1CCN(C(=O)CCNC(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000329314663 484233321 /nfs/dbraw/zinc/23/33/21/484233321.db2.gz QGSNNIZCMARUND-CQSZACIVSA-N 1 2 369.466 -0.709 20 30 FBEDLO CCN1CC[NH+]([C@H]2CCN(C([O-])=[NH+][C@H]3COC[C@H]3n3ccnn3)C2)CC1 ZINC000329322968 484232857 /nfs/dbraw/zinc/23/28/57/484232857.db2.gz FQBIGOAPLTXZLE-HRCADAONSA-N 1 2 363.466 -0.156 20 30 FBEDLO CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@H]3COC[C@H]3n3ccnn3)C2)CC1 ZINC000329322968 484232853 /nfs/dbraw/zinc/23/28/53/484232853.db2.gz FQBIGOAPLTXZLE-HRCADAONSA-N 1 2 363.466 -0.156 20 30 FBEDLO CCN1CC[NH+]([C@@H]2CCN(C([O-])=[NH+][C@H]3COC[C@H]3n3ccnn3)C2)CC1 ZINC000329322971 484232718 /nfs/dbraw/zinc/23/27/18/484232718.db2.gz FQBIGOAPLTXZLE-OWCLPIDISA-N 1 2 363.466 -0.156 20 30 FBEDLO CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H]3COC[C@H]3n3ccnn3)C2)CC1 ZINC000329322971 484232710 /nfs/dbraw/zinc/23/27/10/484232710.db2.gz FQBIGOAPLTXZLE-OWCLPIDISA-N 1 2 363.466 -0.156 20 30 FBEDLO CCN1CCOC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329347031 484235540 /nfs/dbraw/zinc/23/55/40/484235540.db2.gz CIHGFJBWFJMCCC-HUUCEWRRSA-N 1 2 354.451 -0.403 20 30 FBEDLO CCN1CCOC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329347038 484235667 /nfs/dbraw/zinc/23/56/67/484235667.db2.gz CIHGFJBWFJMCCC-LSDHHAIUSA-N 1 2 354.451 -0.403 20 30 FBEDLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccn2c(O)nnc12 ZINC000329350902 484236076 /nfs/dbraw/zinc/23/60/76/484236076.db2.gz TYJYXVUNBJGXKC-GFCCVEGCSA-N 1 2 374.401 -0.327 20 30 FBEDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccn2c(O)nnc12 ZINC000329350905 484235987 /nfs/dbraw/zinc/23/59/87/484235987.db2.gz TYJYXVUNBJGXKC-LBPRGKRZSA-N 1 2 374.401 -0.327 20 30 FBEDLO C[C@H](CNC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O)[NH+]1CCOCC1 ZINC000329356503 657754801 /nfs/dbraw/zinc/75/48/01/657754801.db2.gz FUEURXSQLKGJLM-GFCCVEGCSA-N 1 2 353.423 -0.158 20 30 FBEDLO C[C@@H](CNC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O)[NH+]1CCOCC1 ZINC000329356504 657754892 /nfs/dbraw/zinc/75/48/92/657754892.db2.gz FUEURXSQLKGJLM-LBPRGKRZSA-N 1 2 353.423 -0.158 20 30 FBEDLO N#CCC1(O)CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000329365798 484237349 /nfs/dbraw/zinc/23/73/49/484237349.db2.gz GPLQEOHJERRNCW-UHFFFAOYSA-N 1 2 357.414 -0.003 20 30 FBEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000329375032 484237097 /nfs/dbraw/zinc/23/70/97/484237097.db2.gz LGDUMIAHQXFZSA-GFCCVEGCSA-N 1 2 353.423 -0.158 20 30 FBEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000329375038 484237259 /nfs/dbraw/zinc/23/72/59/484237259.db2.gz LGDUMIAHQXFZSA-LBPRGKRZSA-N 1 2 353.423 -0.158 20 30 FBEDLO CN1C(=O)N[C@]2(CCN(C(=O)NCC3([NH+]4CCOCC4)CC3)C2)C1=O ZINC000329381816 484239344 /nfs/dbraw/zinc/23/93/44/484239344.db2.gz OCCYMFSNWASMFQ-INIZCTEOSA-N 1 2 351.407 -0.404 20 30 FBEDLO CN1C(=O)N[C@@]2(CCN(C(=O)NCC3([NH+]4CCOCC4)CC3)C2)C1=O ZINC000329381817 484238761 /nfs/dbraw/zinc/23/87/61/484238761.db2.gz OCCYMFSNWASMFQ-MRXNPFEDSA-N 1 2 351.407 -0.404 20 30 FBEDLO Cn1nccc1[C@H]1[C@H](NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)CC(=O)N1C ZINC000329434721 484246208 /nfs/dbraw/zinc/24/62/08/484246208.db2.gz IXIJKWZZUFTOFK-UZMCECQYSA-N 1 2 362.434 -0.379 20 30 FBEDLO Cn1nccc1[C@H]1[C@H](NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)CC(=O)N1C ZINC000329434721 484246203 /nfs/dbraw/zinc/24/62/03/484246203.db2.gz IXIJKWZZUFTOFK-UZMCECQYSA-N 1 2 362.434 -0.379 20 30 FBEDLO Cn1nccc1[C@H]1[C@H](NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)CC(=O)N1C ZINC000329434722 484245115 /nfs/dbraw/zinc/24/51/15/484245115.db2.gz IXIJKWZZUFTOFK-XKVFNRALSA-N 1 2 362.434 -0.379 20 30 FBEDLO Cn1nccc1[C@H]1[C@H](NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)CC(=O)N1C ZINC000329434722 484245107 /nfs/dbraw/zinc/24/51/07/484245107.db2.gz IXIJKWZZUFTOFK-XKVFNRALSA-N 1 2 362.434 -0.379 20 30 FBEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)NCC1(O)CCOCC1 ZINC000329436678 484245519 /nfs/dbraw/zinc/24/55/19/484245519.db2.gz MAFUVNKBACEPKJ-UHFFFAOYSA-N 1 2 368.478 -0.024 20 30 FBEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000329449341 484245925 /nfs/dbraw/zinc/24/59/25/484245925.db2.gz CFYWXMCANZELHR-CYBMUJFWSA-N 1 2 351.451 -0.588 20 30 FBEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000329449343 484246592 /nfs/dbraw/zinc/24/65/92/484246592.db2.gz CFYWXMCANZELHR-ZDUSSCGKSA-N 1 2 351.451 -0.588 20 30 FBEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@]3(CO)CCOC3)ccn2)CC1 ZINC000329466749 484249421 /nfs/dbraw/zinc/24/94/21/484249421.db2.gz VTZXJFRMORENPZ-KRWDZBQOSA-N 1 2 363.418 -0.244 20 30 FBEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@@]3(CO)CCOC3)ccn2)CC1 ZINC000329466750 484249584 /nfs/dbraw/zinc/24/95/84/484249584.db2.gz VTZXJFRMORENPZ-QGZVFWFLSA-N 1 2 363.418 -0.244 20 30 FBEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C[C@H]21 ZINC000329480263 484248884 /nfs/dbraw/zinc/24/88/84/484248884.db2.gz PEVZUXJZEONJLC-BPLDGKMQSA-N 1 2 372.491 -0.128 20 30 FBEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C[C@H]21 ZINC000329480263 484248879 /nfs/dbraw/zinc/24/88/79/484248879.db2.gz PEVZUXJZEONJLC-BPLDGKMQSA-N 1 2 372.491 -0.128 20 30 FBEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C[C@@H]21 ZINC000329480269 484249052 /nfs/dbraw/zinc/24/90/52/484249052.db2.gz PEVZUXJZEONJLC-VHDGCEQUSA-N 1 2 372.491 -0.128 20 30 FBEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C[C@@H]21 ZINC000329480269 484249045 /nfs/dbraw/zinc/24/90/45/484249045.db2.gz PEVZUXJZEONJLC-VHDGCEQUSA-N 1 2 372.491 -0.128 20 30 FBEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCCN3C(=O)CCC3=O)C2)CC1 ZINC000329498819 657786322 /nfs/dbraw/zinc/78/63/22/657786322.db2.gz JUPWGHJDIMLYLX-AWEZNQCLSA-N 1 2 351.451 -0.239 20 30 FBEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCCN3C(=O)CCC3=O)C2)CC1 ZINC000329498820 657786560 /nfs/dbraw/zinc/78/65/60/657786560.db2.gz JUPWGHJDIMLYLX-CQSZACIVSA-N 1 2 351.451 -0.239 20 30 FBEDLO CN1C[C@@H](NC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC1=O ZINC000329522579 484254381 /nfs/dbraw/zinc/25/43/81/484254381.db2.gz GEUZIAPEJPQHFZ-AWEZNQCLSA-N 1 2 351.451 -0.335 20 30 FBEDLO CN1C[C@H](NC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC1=O ZINC000329522581 484254524 /nfs/dbraw/zinc/25/45/24/484254524.db2.gz GEUZIAPEJPQHFZ-CQSZACIVSA-N 1 2 351.451 -0.335 20 30 FBEDLO Cn1ccc(N2CCC[C@H](NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)C2=O)n1 ZINC000329538909 484256565 /nfs/dbraw/zinc/25/65/65/484256565.db2.gz CFFPQJSJQNYVLT-MELADBBJSA-N 1 2 362.434 -0.156 20 30 FBEDLO Cn1ccc(N2CCC[C@H](NC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)C2=O)n1 ZINC000329538909 484256556 /nfs/dbraw/zinc/25/65/56/484256556.db2.gz CFFPQJSJQNYVLT-MELADBBJSA-N 1 2 362.434 -0.156 20 30 FBEDLO O=C(CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCCC1 ZINC000329546751 657799943 /nfs/dbraw/zinc/79/99/43/657799943.db2.gz IESZVVIEHULAHK-UHFFFAOYSA-N 1 2 350.423 0.164 20 30 FBEDLO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329551142 484257680 /nfs/dbraw/zinc/25/76/80/484257680.db2.gz FSGUZESDTHRCCG-BFHYXJOUSA-N 1 2 373.475 -0.443 20 30 FBEDLO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329551143 484257093 /nfs/dbraw/zinc/25/70/93/484257093.db2.gz FSGUZESDTHRCCG-MELADBBJSA-N 1 2 373.475 -0.443 20 30 FBEDLO Cc1cc(N2CC[C@@H](NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)C2=O)n(C)n1 ZINC000329594879 484261799 /nfs/dbraw/zinc/26/17/99/484261799.db2.gz HZIXRGGBTQLWIY-HZSPNIEDSA-N 1 2 362.434 -0.237 20 30 FBEDLO Cc1cc(N2CC[C@@H](NC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)C2=O)n(C)n1 ZINC000329594879 484261795 /nfs/dbraw/zinc/26/17/95/484261795.db2.gz HZIXRGGBTQLWIY-HZSPNIEDSA-N 1 2 362.434 -0.237 20 30 FBEDLO Cc1cc(N2CC[C@H](NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)C2=O)n(C)n1 ZINC000329594880 484261366 /nfs/dbraw/zinc/26/13/66/484261366.db2.gz HZIXRGGBTQLWIY-MELADBBJSA-N 1 2 362.434 -0.237 20 30 FBEDLO Cc1cc(N2CC[C@H](NC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)C2=O)n(C)n1 ZINC000329594880 484261360 /nfs/dbraw/zinc/26/13/60/484261360.db2.gz HZIXRGGBTQLWIY-MELADBBJSA-N 1 2 362.434 -0.237 20 30 FBEDLO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1C[C@H]3OCC[N@@H+](C)[C@H]3C1)CC2 ZINC000329619861 484265080 /nfs/dbraw/zinc/26/50/80/484265080.db2.gz GOFUXLHZARCKBV-FRRDWIJNSA-N 1 2 350.423 -0.332 20 30 FBEDLO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1C[C@H]3OCC[N@H+](C)[C@H]3C1)CC2 ZINC000329619861 484265073 /nfs/dbraw/zinc/26/50/73/484265073.db2.gz GOFUXLHZARCKBV-FRRDWIJNSA-N 1 2 350.423 -0.332 20 30 FBEDLO COCc1nc2n(n1)C[C@@H]([NH+]=C([O-])N1C[C@H]3OCC[N@@H+](C)[C@H]3C1)CC2 ZINC000329619862 484266253 /nfs/dbraw/zinc/26/62/53/484266253.db2.gz GOFUXLHZARCKBV-RWMBFGLXSA-N 1 2 350.423 -0.332 20 30 FBEDLO COCc1nc2n(n1)C[C@@H]([NH+]=C([O-])N1C[C@H]3OCC[N@H+](C)[C@H]3C1)CC2 ZINC000329619862 484266247 /nfs/dbraw/zinc/26/62/47/484266247.db2.gz GOFUXLHZARCKBV-RWMBFGLXSA-N 1 2 350.423 -0.332 20 30 FBEDLO C[C@@H]1CN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCS1(=O)=O ZINC000329622826 484267073 /nfs/dbraw/zinc/26/70/73/484267073.db2.gz NOGRVJGCCDXVEL-CYBMUJFWSA-N 1 2 371.463 -0.120 20 30 FBEDLO C[C@H]1CN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCS1(=O)=O ZINC000329622827 484268129 /nfs/dbraw/zinc/26/81/29/484268129.db2.gz NOGRVJGCCDXVEL-ZDUSSCGKSA-N 1 2 371.463 -0.120 20 30 FBEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3cccc(S(N)(=O)=O)c3)C[C@@H]21 ZINC000329633622 484272923 /nfs/dbraw/zinc/27/29/23/484272923.db2.gz WTXJWEMIYWXURX-UONOGXRCSA-N 1 2 354.432 -0.237 20 30 FBEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3cccc(S(N)(=O)=O)c3)C[C@@H]21 ZINC000329633622 484272919 /nfs/dbraw/zinc/27/29/19/484272919.db2.gz WTXJWEMIYWXURX-UONOGXRCSA-N 1 2 354.432 -0.237 20 30 FBEDLO CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000329651506 484275333 /nfs/dbraw/zinc/27/53/33/484275333.db2.gz KJZDQOSANMQEJU-GJZGRUSLSA-N 1 2 374.507 -0.022 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCSC[C@H]3CO)CC2)o1 ZINC000329669759 484844217 /nfs/dbraw/zinc/84/42/17/484844217.db2.gz SPGCVVGNZGECQE-CYBMUJFWSA-N 1 2 365.459 -0.087 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCSC[C@H]3CO)CC2)o1 ZINC000329669759 484844211 /nfs/dbraw/zinc/84/42/11/484844211.db2.gz SPGCVVGNZGECQE-CYBMUJFWSA-N 1 2 365.459 -0.087 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCSC[C@@H]3CO)CC2)o1 ZINC000329669767 484843466 /nfs/dbraw/zinc/84/34/66/484843466.db2.gz SPGCVVGNZGECQE-ZDUSSCGKSA-N 1 2 365.459 -0.087 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCSC[C@@H]3CO)CC2)o1 ZINC000329669767 484843460 /nfs/dbraw/zinc/84/34/60/484843460.db2.gz SPGCVVGNZGECQE-ZDUSSCGKSA-N 1 2 365.459 -0.087 20 30 FBEDLO Cn1cc(N2CCC[C@@H](NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)C2=O)cn1 ZINC000329673859 484279831 /nfs/dbraw/zinc/27/98/31/484279831.db2.gz SZBMLTYAPKVGQW-QLFBSQMISA-N 1 2 362.434 -0.156 20 30 FBEDLO Cn1cc(N2CCC[C@@H](NC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)C2=O)cn1 ZINC000329673859 484279825 /nfs/dbraw/zinc/27/98/25/484279825.db2.gz SZBMLTYAPKVGQW-QLFBSQMISA-N 1 2 362.434 -0.156 20 30 FBEDLO Cn1cc(N2CCC[C@H](NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)C2=O)cn1 ZINC000329673861 484279200 /nfs/dbraw/zinc/27/92/00/484279200.db2.gz SZBMLTYAPKVGQW-SOUVJXGZSA-N 1 2 362.434 -0.156 20 30 FBEDLO Cn1cc(N2CCC[C@H](NC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)C2=O)cn1 ZINC000329673861 484279193 /nfs/dbraw/zinc/27/91/93/484279193.db2.gz SZBMLTYAPKVGQW-SOUVJXGZSA-N 1 2 362.434 -0.156 20 30 FBEDLO CN1CC[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1=O ZINC000329688143 484282651 /nfs/dbraw/zinc/28/26/51/484282651.db2.gz AQKXDJAMZCFOSO-KBPBESRZSA-N 1 2 352.435 -0.256 20 30 FBEDLO CN1CC[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1=O ZINC000329688146 484282912 /nfs/dbraw/zinc/28/29/12/484282912.db2.gz AQKXDJAMZCFOSO-UONOGXRCSA-N 1 2 352.435 -0.256 20 30 FBEDLO C[C@@H]1CN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@H](C)S1(=O)=O ZINC000329692142 484282253 /nfs/dbraw/zinc/28/22/53/484282253.db2.gz GTMQENRLBTUDQK-BETUJISGSA-N 1 2 374.507 -0.040 20 30 FBEDLO C[C@@H]1CN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@@H](C)S1(=O)=O ZINC000329692144 484282698 /nfs/dbraw/zinc/28/26/98/484282698.db2.gz GTMQENRLBTUDQK-CHWSQXEVSA-N 1 2 374.507 -0.040 20 30 FBEDLO CN1C[C@@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCC1=O ZINC000329692559 484283308 /nfs/dbraw/zinc/28/33/08/484283308.db2.gz WQCUBFIJBPVZDQ-AWEZNQCLSA-N 1 2 361.450 -0.277 20 30 FBEDLO CN1C[C@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCC1=O ZINC000329692564 484282670 /nfs/dbraw/zinc/28/26/70/484282670.db2.gz WQCUBFIJBPVZDQ-CQSZACIVSA-N 1 2 361.450 -0.277 20 30 FBEDLO O=C(N[C@H]1CCCS(=O)(=O)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329709879 659082039 /nfs/dbraw/zinc/08/20/39/659082039.db2.gz NKTKRWQYBCWHJB-KBPBESRZSA-N 1 2 373.475 -0.299 20 30 FBEDLO O=C(N[C@@H]1CCCS(=O)(=O)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329709880 659081695 /nfs/dbraw/zinc/08/16/95/659081695.db2.gz NKTKRWQYBCWHJB-UONOGXRCSA-N 1 2 373.475 -0.299 20 30 FBEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3ccc(S(N)(=O)=O)s3)C[C@@H]21 ZINC000329732465 484285132 /nfs/dbraw/zinc/28/51/32/484285132.db2.gz QEDVWMPGJFYAOB-WDEREUQCSA-N 1 2 360.461 -0.176 20 30 FBEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3ccc(S(N)(=O)=O)s3)C[C@@H]21 ZINC000329732465 484285127 /nfs/dbraw/zinc/28/51/27/484285127.db2.gz QEDVWMPGJFYAOB-WDEREUQCSA-N 1 2 360.461 -0.176 20 30 FBEDLO CS(=O)(=O)N1CCC[C@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000329742603 657887966 /nfs/dbraw/zinc/88/79/66/657887966.db2.gz PNXQTUUUURWVTR-KBPBESRZSA-N 1 2 360.480 -0.269 20 30 FBEDLO CS(=O)(=O)N1CCC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000329742604 657888054 /nfs/dbraw/zinc/88/80/54/657888054.db2.gz PNXQTUUUURWVTR-UONOGXRCSA-N 1 2 360.480 -0.269 20 30 FBEDLO CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2CCCCS2(=O)=O)CC1 ZINC000329750711 484285879 /nfs/dbraw/zinc/28/58/79/484285879.db2.gz IJHLLNINSLDVNF-AWEZNQCLSA-N 1 2 374.507 -0.036 20 30 FBEDLO CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@H]2CCCCS2(=O)=O)CC1 ZINC000329750712 484286699 /nfs/dbraw/zinc/28/66/99/484286699.db2.gz IJHLLNINSLDVNF-CQSZACIVSA-N 1 2 374.507 -0.036 20 30 FBEDLO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329754635 657890500 /nfs/dbraw/zinc/89/05/00/657890500.db2.gz KYCPSIBGEFUACC-LLVKDONJSA-N 1 2 353.379 -0.732 20 30 FBEDLO O=C(CN1CC(=O)NC1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329754636 657890622 /nfs/dbraw/zinc/89/06/22/657890622.db2.gz KYCPSIBGEFUACC-NSHDSACASA-N 1 2 353.379 -0.732 20 30 FBEDLO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000329757228 484285940 /nfs/dbraw/zinc/28/59/40/484285940.db2.gz ZHISCDBXPCXVFX-QWHCGFSZSA-N 1 2 360.480 -0.571 20 30 FBEDLO CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329758725 484285581 /nfs/dbraw/zinc/28/55/81/484285581.db2.gz NZPOPTZERMWXDY-HUUCEWRRSA-N 1 2 352.435 -0.113 20 30 FBEDLO CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329758726 484286553 /nfs/dbraw/zinc/28/65/53/484286553.db2.gz NZPOPTZERMWXDY-LSDHHAIUSA-N 1 2 352.435 -0.113 20 30 FBEDLO CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000329780795 484287505 /nfs/dbraw/zinc/28/75/05/484287505.db2.gz MVIAGCSDSOLATC-CYBMUJFWSA-N 1 2 360.480 -0.427 20 30 FBEDLO CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000329780796 484287724 /nfs/dbraw/zinc/28/77/24/484287724.db2.gz MVIAGCSDSOLATC-ZDUSSCGKSA-N 1 2 360.480 -0.427 20 30 FBEDLO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCS(=O)(=O)C(C)(C)C2)CC1 ZINC000329787884 484289122 /nfs/dbraw/zinc/28/91/22/484289122.db2.gz ZBWZVALEEQOATG-UHFFFAOYSA-N 1 2 374.507 -0.038 20 30 FBEDLO Cn1cc(N2CCC[C@H](NC(=O)NC[C@@H]3CN(C)CC[N@H+]3C)C2=O)cn1 ZINC000329795020 484289862 /nfs/dbraw/zinc/28/98/62/484289862.db2.gz CLXAKHGTIYKEOI-HIFRSBDPSA-N 1 2 363.466 -0.335 20 30 FBEDLO Cn1cc(N2CCC[C@H](NC(=O)NC[C@@H]3CN(C)CC[N@@H+]3C)C2=O)cn1 ZINC000329795020 484289856 /nfs/dbraw/zinc/28/98/56/484289856.db2.gz CLXAKHGTIYKEOI-HIFRSBDPSA-N 1 2 363.466 -0.335 20 30 FBEDLO Cn1cc(N2CCC[C@@H](NC(=O)NC[C@@H]3CN(C)CC[N@H+]3C)C2=O)cn1 ZINC000329795021 484290022 /nfs/dbraw/zinc/29/00/22/484290022.db2.gz CLXAKHGTIYKEOI-UKRRQHHQSA-N 1 2 363.466 -0.335 20 30 FBEDLO Cn1cc(N2CCC[C@@H](NC(=O)NC[C@@H]3CN(C)CC[N@@H+]3C)C2=O)cn1 ZINC000329795021 484290017 /nfs/dbraw/zinc/29/00/17/484290017.db2.gz CLXAKHGTIYKEOI-UKRRQHHQSA-N 1 2 363.466 -0.335 20 30 FBEDLO Cc1cc(N2CC[C@H](NC(=O)NC[C@H]3CN(C)CC[N@H+]3C)C2=O)n(C)n1 ZINC000329797033 484289528 /nfs/dbraw/zinc/28/95/28/484289528.db2.gz FHSARKOWLXKXOL-KBPBESRZSA-N 1 2 363.466 -0.417 20 30 FBEDLO Cc1cc(N2CC[C@H](NC(=O)NC[C@H]3CN(C)CC[N@@H+]3C)C2=O)n(C)n1 ZINC000329797033 484289519 /nfs/dbraw/zinc/28/95/19/484289519.db2.gz FHSARKOWLXKXOL-KBPBESRZSA-N 1 2 363.466 -0.417 20 30 FBEDLO Cc1cc(N2CC[C@H](NC(=O)NC[C@@H]3CN(C)CC[N@H+]3C)C2=O)n(C)n1 ZINC000329797035 484289366 /nfs/dbraw/zinc/28/93/66/484289366.db2.gz FHSARKOWLXKXOL-KGLIPLIRSA-N 1 2 363.466 -0.417 20 30 FBEDLO Cc1cc(N2CC[C@H](NC(=O)NC[C@@H]3CN(C)CC[N@@H+]3C)C2=O)n(C)n1 ZINC000329797035 484289359 /nfs/dbraw/zinc/28/93/59/484289359.db2.gz FHSARKOWLXKXOL-KGLIPLIRSA-N 1 2 363.466 -0.417 20 30 FBEDLO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N(C)CC[NH+]1CCOCC1)CC2 ZINC000329823264 484290701 /nfs/dbraw/zinc/29/07/01/484290701.db2.gz HMIAGVHLVHRABG-CYBMUJFWSA-N 1 2 352.439 -0.083 20 30 FBEDLO COCc1nc2n(n1)C[C@@H]([NH+]=C([O-])N(C)CC[NH+]1CCOCC1)CC2 ZINC000329823271 484290983 /nfs/dbraw/zinc/29/09/83/484290983.db2.gz HMIAGVHLVHRABG-ZDUSSCGKSA-N 1 2 352.439 -0.083 20 30 FBEDLO O=C(CN1CCOCC1=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000329838435 484293148 /nfs/dbraw/zinc/29/31/48/484293148.db2.gz ISGDUXFFVFNQGQ-UHFFFAOYSA-N 1 2 352.435 -0.254 20 30 FBEDLO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[N@H+]3CCOC[C@H]3C1)CC2 ZINC000329845818 484292800 /nfs/dbraw/zinc/29/28/00/484292800.db2.gz OSTIKZSEZGRVFL-CHWSQXEVSA-N 1 2 350.423 -0.330 20 30 FBEDLO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[N@@H+]3CCOC[C@H]3C1)CC2 ZINC000329845818 484292789 /nfs/dbraw/zinc/29/27/89/484292789.db2.gz OSTIKZSEZGRVFL-CHWSQXEVSA-N 1 2 350.423 -0.330 20 30 FBEDLO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[N@H+]3CCOC[C@@H]3C1)CC2 ZINC000329845819 484292711 /nfs/dbraw/zinc/29/27/11/484292711.db2.gz OSTIKZSEZGRVFL-OLZOCXBDSA-N 1 2 350.423 -0.330 20 30 FBEDLO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[N@@H+]3CCOC[C@@H]3C1)CC2 ZINC000329845819 484292697 /nfs/dbraw/zinc/29/26/97/484292697.db2.gz OSTIKZSEZGRVFL-OLZOCXBDSA-N 1 2 350.423 -0.330 20 30 FBEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NC[C@@]3(O)CCOC3)ccn2)CC1 ZINC000329859223 484293477 /nfs/dbraw/zinc/29/34/77/484293477.db2.gz WNNWJHOKGNPTLC-KRWDZBQOSA-N 1 2 363.418 -0.054 20 30 FBEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NC[C@]3(O)CCOC3)ccn2)CC1 ZINC000329859224 484293424 /nfs/dbraw/zinc/29/34/24/484293424.db2.gz WNNWJHOKGNPTLC-QGZVFWFLSA-N 1 2 363.418 -0.054 20 30 FBEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCN2CCOC[C@@H]2C1 ZINC000329860221 484292899 /nfs/dbraw/zinc/29/28/99/484292899.db2.gz XFULXKDFRWZNDE-INIZCTEOSA-N 1 2 364.450 -0.223 20 30 FBEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCN2CCOC[C@H]2C1 ZINC000329860222 484293528 /nfs/dbraw/zinc/29/35/28/484293528.db2.gz XFULXKDFRWZNDE-MRXNPFEDSA-N 1 2 364.450 -0.223 20 30 FBEDLO CO[C@H]1C[C@H](C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)N(S(C)(=O)=O)C1 ZINC000329865027 484294076 /nfs/dbraw/zinc/29/40/76/484294076.db2.gz TWOHHQBKYDZQGC-HZSPNIEDSA-N 1 2 362.496 -0.372 20 30 FBEDLO CO[C@H]1C[C@H](C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)N(S(C)(=O)=O)C1 ZINC000329865028 484294189 /nfs/dbraw/zinc/29/41/89/484294189.db2.gz TWOHHQBKYDZQGC-MELADBBJSA-N 1 2 362.496 -0.372 20 30 FBEDLO CC(=O)N1CC[C@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000329893471 484296063 /nfs/dbraw/zinc/29/60/63/484296063.db2.gz ASAXGWNIKMPXQZ-HNNXBMFYSA-N 1 2 361.450 -0.277 20 30 FBEDLO CC(=O)N1CC[C@@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000329893472 484295967 /nfs/dbraw/zinc/29/59/67/484295967.db2.gz ASAXGWNIKMPXQZ-OAHLLOKOSA-N 1 2 361.450 -0.277 20 30 FBEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000329909794 484297680 /nfs/dbraw/zinc/29/76/80/484297680.db2.gz MTZVSRLUWPURCC-UHOFOFEASA-N 1 2 365.434 -0.004 20 30 FBEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000329909794 484297673 /nfs/dbraw/zinc/29/76/73/484297673.db2.gz MTZVSRLUWPURCC-UHOFOFEASA-N 1 2 365.434 -0.004 20 30 FBEDLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000329909797 484297880 /nfs/dbraw/zinc/29/78/80/484297880.db2.gz MTZVSRLUWPURCC-VBNZEHGJSA-N 1 2 365.434 -0.004 20 30 FBEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000329909797 484297878 /nfs/dbraw/zinc/29/78/78/484297878.db2.gz MTZVSRLUWPURCC-VBNZEHGJSA-N 1 2 365.434 -0.004 20 30 FBEDLO Cn1c(=O)c2cc(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)cnc2n(C)c1=O ZINC000329912810 484297031 /nfs/dbraw/zinc/29/70/31/484297031.db2.gz BMDNGHSEYURLQT-CHWSQXEVSA-N 1 2 374.401 -0.808 20 30 FBEDLO Cn1c(=O)c2cc(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)cnc2n(C)c1=O ZINC000329912810 484297022 /nfs/dbraw/zinc/29/70/22/484297022.db2.gz BMDNGHSEYURLQT-CHWSQXEVSA-N 1 2 374.401 -0.808 20 30 FBEDLO Cn1c(=O)c2cc(NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)cnc2n(C)c1=O ZINC000329912813 484297914 /nfs/dbraw/zinc/29/79/14/484297914.db2.gz BMDNGHSEYURLQT-OLZOCXBDSA-N 1 2 374.401 -0.808 20 30 FBEDLO Cn1c(=O)c2cc(NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)cnc2n(C)c1=O ZINC000329912813 484297910 /nfs/dbraw/zinc/29/79/10/484297910.db2.gz BMDNGHSEYURLQT-OLZOCXBDSA-N 1 2 374.401 -0.808 20 30 FBEDLO Cn1c(=O)c2cc(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)cnc2n(C)c1=O ZINC000329912815 484297898 /nfs/dbraw/zinc/29/78/98/484297898.db2.gz BMDNGHSEYURLQT-QWHCGFSZSA-N 1 2 374.401 -0.808 20 30 FBEDLO Cn1c(=O)c2cc(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)cnc2n(C)c1=O ZINC000329912815 484297895 /nfs/dbraw/zinc/29/78/95/484297895.db2.gz BMDNGHSEYURLQT-QWHCGFSZSA-N 1 2 374.401 -0.808 20 30 FBEDLO Cn1c(=O)c2cc(NC(=O)N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)cnc2n(C)c1=O ZINC000329912817 484297874 /nfs/dbraw/zinc/29/78/74/484297874.db2.gz BMDNGHSEYURLQT-STQMWFEESA-N 1 2 374.401 -0.808 20 30 FBEDLO Cn1c(=O)c2cc(NC(=O)N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)cnc2n(C)c1=O ZINC000329912817 484297871 /nfs/dbraw/zinc/29/78/71/484297871.db2.gz BMDNGHSEYURLQT-STQMWFEESA-N 1 2 374.401 -0.808 20 30 FBEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3ccc(S(N)(=O)=O)s3)C[C@H]21 ZINC000329916180 484297998 /nfs/dbraw/zinc/29/79/98/484297998.db2.gz QEDVWMPGJFYAOB-GHMZBOCLSA-N 1 2 360.461 -0.176 20 30 FBEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3ccc(S(N)(=O)=O)s3)C[C@H]21 ZINC000329916180 484297996 /nfs/dbraw/zinc/29/79/96/484297996.db2.gz QEDVWMPGJFYAOB-GHMZBOCLSA-N 1 2 360.461 -0.176 20 30 FBEDLO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1C[C@@H]3OCC[N@@H+](C)[C@H]3C1)CC2 ZINC000329919710 484297948 /nfs/dbraw/zinc/29/79/48/484297948.db2.gz GOFUXLHZARCKBV-AGIUHOORSA-N 1 2 350.423 -0.332 20 30 FBEDLO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1C[C@@H]3OCC[N@H+](C)[C@H]3C1)CC2 ZINC000329919710 484297946 /nfs/dbraw/zinc/29/79/46/484297946.db2.gz GOFUXLHZARCKBV-AGIUHOORSA-N 1 2 350.423 -0.332 20 30 FBEDLO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1C[C@@H]3[C@H](C1)OCC[N@H+]3C)CC2 ZINC000329919711 484297863 /nfs/dbraw/zinc/29/78/63/484297863.db2.gz GOFUXLHZARCKBV-UPJWGTAASA-N 1 2 350.423 -0.332 20 30 FBEDLO COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1C[C@@H]3[C@H](C1)OCC[N@@H+]3C)CC2 ZINC000329919711 484297860 /nfs/dbraw/zinc/29/78/60/484297860.db2.gz GOFUXLHZARCKBV-UPJWGTAASA-N 1 2 350.423 -0.332 20 30 FBEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCc2nnn(C)n2)cn1 ZINC000329921976 484297528 /nfs/dbraw/zinc/29/75/28/484297528.db2.gz GAXNIJMHVNBFNH-RYUDHWBXSA-N 1 2 351.390 -0.440 20 30 FBEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCc2nnn(C)n2)cn1 ZINC000329921976 484297517 /nfs/dbraw/zinc/29/75/17/484297517.db2.gz GAXNIJMHVNBFNH-RYUDHWBXSA-N 1 2 351.390 -0.440 20 30 FBEDLO Cc1cc(N2CC[C@H](NC(=O)N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)C2=O)n(C)n1 ZINC000329922308 484297904 /nfs/dbraw/zinc/29/79/04/484297904.db2.gz HZIXRGGBTQLWIY-IHRRRGAJSA-N 1 2 362.434 -0.237 20 30 FBEDLO Cc1cc(N2CC[C@H](NC(=O)N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)C2=O)n(C)n1 ZINC000329922308 484297902 /nfs/dbraw/zinc/29/79/02/484297902.db2.gz HZIXRGGBTQLWIY-IHRRRGAJSA-N 1 2 362.434 -0.237 20 30 FBEDLO Cc1cc(N2CC[C@H](NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)C2=O)n(C)n1 ZINC000329922309 484297847 /nfs/dbraw/zinc/29/78/47/484297847.db2.gz HZIXRGGBTQLWIY-MJBXVCDLSA-N 1 2 362.434 -0.237 20 30 FBEDLO Cc1cc(N2CC[C@H](NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)C2=O)n(C)n1 ZINC000329922309 484297844 /nfs/dbraw/zinc/29/78/44/484297844.db2.gz HZIXRGGBTQLWIY-MJBXVCDLSA-N 1 2 362.434 -0.237 20 30 FBEDLO C[N@H+]1CCO[C@H]2CN(CC(=O)Nc3cccc(S(N)(=O)=O)c3)C[C@@H]21 ZINC000329924527 484298398 /nfs/dbraw/zinc/29/83/98/484298398.db2.gz JBJZNGHDGOZYSX-KBPBESRZSA-N 1 2 354.432 -0.063 20 30 FBEDLO C[N@@H+]1CCO[C@H]2CN(CC(=O)Nc3cccc(S(N)(=O)=O)c3)C[C@@H]21 ZINC000329924527 484298395 /nfs/dbraw/zinc/29/83/95/484298395.db2.gz JBJZNGHDGOZYSX-KBPBESRZSA-N 1 2 354.432 -0.063 20 30 FBEDLO C[N@H+]1CCO[C@H]2CN(CC(=O)Nc3cccc(S(N)(=O)=O)c3)C[C@H]21 ZINC000329924528 484298888 /nfs/dbraw/zinc/29/88/88/484298888.db2.gz JBJZNGHDGOZYSX-KGLIPLIRSA-N 1 2 354.432 -0.063 20 30 FBEDLO C[N@@H+]1CCO[C@H]2CN(CC(=O)Nc3cccc(S(N)(=O)=O)c3)C[C@H]21 ZINC000329924528 484298884 /nfs/dbraw/zinc/29/88/84/484298884.db2.gz JBJZNGHDGOZYSX-KGLIPLIRSA-N 1 2 354.432 -0.063 20 30 FBEDLO C[N@H+]1CCO[C@@H]2CN(CC(=O)Nc3cccc(S(N)(=O)=O)c3)C[C@@H]21 ZINC000329924529 484298832 /nfs/dbraw/zinc/29/88/32/484298832.db2.gz JBJZNGHDGOZYSX-UONOGXRCSA-N 1 2 354.432 -0.063 20 30 FBEDLO C[N@@H+]1CCO[C@@H]2CN(CC(=O)Nc3cccc(S(N)(=O)=O)c3)C[C@@H]21 ZINC000329924529 484298825 /nfs/dbraw/zinc/29/88/25/484298825.db2.gz JBJZNGHDGOZYSX-UONOGXRCSA-N 1 2 354.432 -0.063 20 30 FBEDLO C[N@H+]1CCO[C@@H]2CN(CC(=O)Nc3cccc(S(N)(=O)=O)c3)C[C@H]21 ZINC000329924530 484299291 /nfs/dbraw/zinc/29/92/91/484299291.db2.gz JBJZNGHDGOZYSX-ZIAGYGMSSA-N 1 2 354.432 -0.063 20 30 FBEDLO C[N@@H+]1CCO[C@@H]2CN(CC(=O)Nc3cccc(S(N)(=O)=O)c3)C[C@H]21 ZINC000329924530 484299280 /nfs/dbraw/zinc/29/92/80/484299280.db2.gz JBJZNGHDGOZYSX-ZIAGYGMSSA-N 1 2 354.432 -0.063 20 30 FBEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)NCc1nnn(C)n1 ZINC000329931566 484299159 /nfs/dbraw/zinc/29/91/59/484299159.db2.gz IIWXZWXXOBBBMW-STQMWFEESA-N 1 2 365.417 -0.098 20 30 FBEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)NCc1nnn(C)n1 ZINC000329931566 484299151 /nfs/dbraw/zinc/29/91/51/484299151.db2.gz IIWXZWXXOBBBMW-STQMWFEESA-N 1 2 365.417 -0.098 20 30 FBEDLO Cn1cc(N2CCC[C@@H](NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)C2=O)cn1 ZINC000329939210 484299519 /nfs/dbraw/zinc/29/95/19/484299519.db2.gz SZBMLTYAPKVGQW-RBSFLKMASA-N 1 2 362.434 -0.156 20 30 FBEDLO Cn1cc(N2CCC[C@@H](NC(=O)N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)C2=O)cn1 ZINC000329939210 484299515 /nfs/dbraw/zinc/29/95/15/484299515.db2.gz SZBMLTYAPKVGQW-RBSFLKMASA-N 1 2 362.434 -0.156 20 30 FBEDLO C[C@H]1CN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H](CO)O1 ZINC000329940291 484299336 /nfs/dbraw/zinc/29/93/36/484299336.db2.gz GDAWEZLLTVOOGQ-DZGCQCFKSA-N 1 2 353.423 -0.158 20 30 FBEDLO C[C@@H]1CN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@@H](CO)O1 ZINC000329940292 484298615 /nfs/dbraw/zinc/29/86/15/484298615.db2.gz GDAWEZLLTVOOGQ-HIFRSBDPSA-N 1 2 353.423 -0.158 20 30 FBEDLO C[C@@H]1CN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H](CO)O1 ZINC000329940293 484298297 /nfs/dbraw/zinc/29/82/97/484298297.db2.gz GDAWEZLLTVOOGQ-UKRRQHHQSA-N 1 2 353.423 -0.158 20 30 FBEDLO C[C@H]1CN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@@H](CO)O1 ZINC000329940294 484298973 /nfs/dbraw/zinc/29/89/73/484298973.db2.gz GDAWEZLLTVOOGQ-ZFWWWQNUSA-N 1 2 353.423 -0.158 20 30 FBEDLO CCN1CCN(C(=O)NCC(=O)N2CCOCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329942045 484300954 /nfs/dbraw/zinc/30/09/54/484300954.db2.gz CPMJOSMDAFJRLG-CYBMUJFWSA-N 1 2 350.423 -0.139 20 30 FBEDLO CCN1CCN(C(=O)NCC(=O)N2CCOCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329942047 484300942 /nfs/dbraw/zinc/30/09/42/484300942.db2.gz CPMJOSMDAFJRLG-ZDUSSCGKSA-N 1 2 350.423 -0.139 20 30 FBEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3cccc(S(N)(=O)=O)c3)C[C@H]21 ZINC000329944555 484299804 /nfs/dbraw/zinc/29/98/04/484299804.db2.gz WTXJWEMIYWXURX-ZIAGYGMSSA-N 1 2 354.432 -0.237 20 30 FBEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3cccc(S(N)(=O)=O)c3)C[C@H]21 ZINC000329944555 484299796 /nfs/dbraw/zinc/29/97/96/484299796.db2.gz WTXJWEMIYWXURX-ZIAGYGMSSA-N 1 2 354.432 -0.237 20 30 FBEDLO CN1CCO[C@H]2CN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C[C@H]21 ZINC000329948569 484300896 /nfs/dbraw/zinc/30/08/96/484300896.db2.gz ZEUGXDRVUHECGW-CVEARBPZSA-N 1 2 364.450 -0.224 20 30 FBEDLO CN1CCO[C@H]2CN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C[C@@H]21 ZINC000329948570 484299959 /nfs/dbraw/zinc/29/99/59/484299959.db2.gz ZEUGXDRVUHECGW-HOTGVXAUSA-N 1 2 364.450 -0.224 20 30 FBEDLO CN1CCO[C@@H]2CN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C[C@H]21 ZINC000329948571 484300980 /nfs/dbraw/zinc/30/09/80/484300980.db2.gz ZEUGXDRVUHECGW-HZPDHXFCSA-N 1 2 364.450 -0.224 20 30 FBEDLO CN1CCO[C@@H]2CN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C[C@@H]21 ZINC000329948572 484300818 /nfs/dbraw/zinc/30/08/18/484300818.db2.gz ZEUGXDRVUHECGW-JKSUJKDBSA-N 1 2 364.450 -0.224 20 30 FBEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCCS(=O)(=O)NCC3CCC3)C[C@@H]21 ZINC000329949842 484300403 /nfs/dbraw/zinc/30/04/03/484300403.db2.gz BXJWDMMGVLFJGO-UONOGXRCSA-N 1 2 360.480 -0.365 20 30 FBEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCCS(=O)(=O)NCC3CCC3)C[C@@H]21 ZINC000329949842 484300397 /nfs/dbraw/zinc/30/03/97/484300397.db2.gz BXJWDMMGVLFJGO-UONOGXRCSA-N 1 2 360.480 -0.365 20 30 FBEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCCS(=O)(=O)NCC3CCC3)C[C@H]21 ZINC000329949843 484300007 /nfs/dbraw/zinc/30/00/07/484300007.db2.gz BXJWDMMGVLFJGO-ZIAGYGMSSA-N 1 2 360.480 -0.365 20 30 FBEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCCS(=O)(=O)NCC3CCC3)C[C@H]21 ZINC000329949843 484299999 /nfs/dbraw/zinc/29/99/99/484299999.db2.gz BXJWDMMGVLFJGO-ZIAGYGMSSA-N 1 2 360.480 -0.365 20 30 FBEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)NCc1nnn(C)n1 ZINC000329961385 484300588 /nfs/dbraw/zinc/30/05/88/484300588.db2.gz SCZIRPJMLNCBAA-QWRGUYRKSA-N 1 2 351.390 -0.440 20 30 FBEDLO CCC(=O)N1CC[C@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000329963866 484270912 /nfs/dbraw/zinc/27/09/12/484270912.db2.gz QEKMBUUTILQVJZ-AWEZNQCLSA-N 1 2 364.450 0.552 20 30 FBEDLO CCC(=O)N1CC[C@@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000329963867 484271965 /nfs/dbraw/zinc/27/19/65/484271965.db2.gz QEKMBUUTILQVJZ-CQSZACIVSA-N 1 2 364.450 0.552 20 30 FBEDLO NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329983045 484303877 /nfs/dbraw/zinc/30/38/77/484303877.db2.gz ATRSQEWOOIXUEB-OLZOCXBDSA-N 1 2 353.423 -0.167 20 30 FBEDLO NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329983046 484303631 /nfs/dbraw/zinc/30/36/31/484303631.db2.gz ATRSQEWOOIXUEB-STQMWFEESA-N 1 2 353.423 -0.167 20 30 FBEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)Cn2ncn(C)c2=O)cn1 ZINC000329993519 484303496 /nfs/dbraw/zinc/30/34/96/484303496.db2.gz YMRLZTVPSHJMGG-STQMWFEESA-N 1 2 351.386 -0.116 20 30 FBEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)Cn2ncn(C)c2=O)cn1 ZINC000329993519 484303492 /nfs/dbraw/zinc/30/34/92/484303492.db2.gz YMRLZTVPSHJMGG-STQMWFEESA-N 1 2 351.386 -0.116 20 30 FBEDLO C[N@H+]1CCO[C@@H](CNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000329994489 484304544 /nfs/dbraw/zinc/30/45/44/484304544.db2.gz MGKRXCRRIMLLFZ-AWEZNQCLSA-N 1 2 366.422 -0.602 20 30 FBEDLO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000329994489 484304538 /nfs/dbraw/zinc/30/45/38/484304538.db2.gz MGKRXCRRIMLLFZ-AWEZNQCLSA-N 1 2 366.422 -0.602 20 30 FBEDLO C[N@H+]1CCO[C@H](CNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000329994490 484304090 /nfs/dbraw/zinc/30/40/90/484304090.db2.gz MGKRXCRRIMLLFZ-CQSZACIVSA-N 1 2 366.422 -0.602 20 30 FBEDLO C[N@@H+]1CCO[C@H](CNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000329994490 484304079 /nfs/dbraw/zinc/30/40/79/484304079.db2.gz MGKRXCRRIMLLFZ-CQSZACIVSA-N 1 2 366.422 -0.602 20 30 FBEDLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC[C@@]1(O)CCSC1 ZINC000330011921 484306139 /nfs/dbraw/zinc/30/61/39/484306139.db2.gz JSDQPTVWUUPFOB-INIZCTEOSA-N 1 2 366.491 -0.030 20 30 FBEDLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC[C@]1(O)CCSC1 ZINC000330011922 484305643 /nfs/dbraw/zinc/30/56/43/484305643.db2.gz JSDQPTVWUUPFOB-MRXNPFEDSA-N 1 2 366.491 -0.030 20 30 FBEDLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)O1 ZINC000330021559 484305289 /nfs/dbraw/zinc/30/52/89/484305289.db2.gz YAHGDSAAYXSTCI-FRRDWIJNSA-N 1 2 354.407 -0.041 20 30 FBEDLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)O1 ZINC000330021560 484306398 /nfs/dbraw/zinc/30/63/98/484306398.db2.gz YAHGDSAAYXSTCI-RWMBFGLXSA-N 1 2 354.407 -0.041 20 30 FBEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@@H]2CC[S@](=O)C2)CC1 ZINC000330025170 484305822 /nfs/dbraw/zinc/30/58/22/484305822.db2.gz KFQTYROHSGKYAB-NDHGSNPTSA-N 1 2 363.447 -0.080 20 30 FBEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@@H]2CC[S@@](=O)C2)CC1 ZINC000330025172 484306062 /nfs/dbraw/zinc/30/60/62/484306062.db2.gz KFQTYROHSGKYAB-SSINHNECSA-N 1 2 363.447 -0.080 20 30 FBEDLO O=C(NC[C@@]1(O)CCSC1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000330038408 484213218 /nfs/dbraw/zinc/21/32/18/484213218.db2.gz ZZMYVZNBDXRHBA-HNNXBMFYSA-N 1 2 355.464 0.409 20 30 FBEDLO O=C(NC[C@]1(O)CCSC1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000330038409 484213568 /nfs/dbraw/zinc/21/35/68/484213568.db2.gz ZZMYVZNBDXRHBA-OAHLLOKOSA-N 1 2 355.464 0.409 20 30 FBEDLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnn2ncccc12 ZINC000330088898 484311168 /nfs/dbraw/zinc/31/11/68/484311168.db2.gz OGWQIGZLDLAWKV-CYBMUJFWSA-N 1 2 358.402 -0.033 20 30 FBEDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnn2ncccc12 ZINC000330088899 484311036 /nfs/dbraw/zinc/31/10/36/484311036.db2.gz OGWQIGZLDLAWKV-ZDUSSCGKSA-N 1 2 358.402 -0.033 20 30 FBEDLO CNS(=O)(=O)c1ccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)nc1 ZINC000330102763 484310562 /nfs/dbraw/zinc/31/05/62/484310562.db2.gz GHBZRNOFYYNGBQ-NWDGAFQWSA-N 1 2 355.420 -0.450 20 30 FBEDLO CNS(=O)(=O)c1ccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)nc1 ZINC000330102763 484310554 /nfs/dbraw/zinc/31/05/54/484310554.db2.gz GHBZRNOFYYNGBQ-NWDGAFQWSA-N 1 2 355.420 -0.450 20 30 FBEDLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)NCC3(C)CC3)CC2)CC1 ZINC000330104683 484311127 /nfs/dbraw/zinc/31/11/27/484311127.db2.gz JDYRCRUDDOMFDG-UHFFFAOYSA-N 1 2 359.496 -0.190 20 30 FBEDLO CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@H]2CCCS2(=O)=O)CC1 ZINC000330135200 484314559 /nfs/dbraw/zinc/31/45/59/484314559.db2.gz MSGWIGDFSZZRFN-CYBMUJFWSA-N 1 2 360.480 -0.427 20 30 FBEDLO CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2CCCS2(=O)=O)CC1 ZINC000330135203 484314322 /nfs/dbraw/zinc/31/43/22/484314322.db2.gz MSGWIGDFSZZRFN-ZDUSSCGKSA-N 1 2 360.480 -0.427 20 30 FBEDLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000330136930 484375550 /nfs/dbraw/zinc/37/55/50/484375550.db2.gz UNOPHQQFQPNVMI-CYBMUJFWSA-N 1 2 362.434 0.305 20 30 FBEDLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000330136931 484374966 /nfs/dbraw/zinc/37/49/66/484374966.db2.gz UNOPHQQFQPNVMI-ZDUSSCGKSA-N 1 2 362.434 0.305 20 30 FBEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CC(=O)N(C)C2)CC1 ZINC000330142005 484314511 /nfs/dbraw/zinc/31/45/11/484314511.db2.gz QHADXKNOPYIHDR-KGLIPLIRSA-N 1 2 351.451 -0.240 20 30 FBEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CC(=O)N(C)C2)CC1 ZINC000330142006 484313818 /nfs/dbraw/zinc/31/38/18/484313818.db2.gz QHADXKNOPYIHDR-ZIAGYGMSSA-N 1 2 351.451 -0.240 20 30 FBEDLO COCCC(=O)N1CCC(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CC1 ZINC000330176339 484315111 /nfs/dbraw/zinc/31/51/11/484315111.db2.gz JVWWJAHDNSIEIF-CABCVRRESA-N 1 2 354.451 -0.057 20 30 FBEDLO COCCC(=O)N1CCC(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CC1 ZINC000330176339 484315104 /nfs/dbraw/zinc/31/51/04/484315104.db2.gz JVWWJAHDNSIEIF-CABCVRRESA-N 1 2 354.451 -0.057 20 30 FBEDLO COCCC(=O)N1CCC(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000330176340 484316306 /nfs/dbraw/zinc/31/63/06/484316306.db2.gz JVWWJAHDNSIEIF-GJZGRUSLSA-N 1 2 354.451 -0.057 20 30 FBEDLO COCCC(=O)N1CCC(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000330176340 484316303 /nfs/dbraw/zinc/31/63/03/484316303.db2.gz JVWWJAHDNSIEIF-GJZGRUSLSA-N 1 2 354.451 -0.057 20 30 FBEDLO CN(C(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000330179251 484316414 /nfs/dbraw/zinc/31/64/14/484316414.db2.gz MHOXCHLPBSUDPA-CYBMUJFWSA-N 1 2 362.496 -0.023 20 30 FBEDLO CN(C(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330179252 484316103 /nfs/dbraw/zinc/31/61/03/484316103.db2.gz MHOXCHLPBSUDPA-ZDUSSCGKSA-N 1 2 362.496 -0.023 20 30 FBEDLO CN(C(=O)NCC[N@H+]1CCOC(C)(C)C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000330186251 484316261 /nfs/dbraw/zinc/31/62/61/484316261.db2.gz JPNJONWUQYHFIH-CYBMUJFWSA-N 1 2 362.496 -0.023 20 30 FBEDLO CN(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000330186251 484316258 /nfs/dbraw/zinc/31/62/58/484316258.db2.gz JPNJONWUQYHFIH-CYBMUJFWSA-N 1 2 362.496 -0.023 20 30 FBEDLO CN(C(=O)NCC[N@H+]1CCOC(C)(C)C1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330186252 484315271 /nfs/dbraw/zinc/31/52/71/484315271.db2.gz JPNJONWUQYHFIH-ZDUSSCGKSA-N 1 2 362.496 -0.023 20 30 FBEDLO CN(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330186252 484315263 /nfs/dbraw/zinc/31/52/63/484315263.db2.gz JPNJONWUQYHFIH-ZDUSSCGKSA-N 1 2 362.496 -0.023 20 30 FBEDLO CN(C(=O)NCC[N@H+]1CCOCC1(C)C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000330186527 484315938 /nfs/dbraw/zinc/31/59/38/484315938.db2.gz JVYSAPFLKYTYMA-CYBMUJFWSA-N 1 2 362.496 -0.023 20 30 FBEDLO CN(C(=O)NCC[N@@H+]1CCOCC1(C)C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000330186527 484315931 /nfs/dbraw/zinc/31/59/31/484315931.db2.gz JVYSAPFLKYTYMA-CYBMUJFWSA-N 1 2 362.496 -0.023 20 30 FBEDLO CN(C(=O)NCC[N@H+]1CCOCC1(C)C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330186528 484316278 /nfs/dbraw/zinc/31/62/78/484316278.db2.gz JVYSAPFLKYTYMA-ZDUSSCGKSA-N 1 2 362.496 -0.023 20 30 FBEDLO CN(C(=O)NCC[N@@H+]1CCOCC1(C)C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330186528 484316274 /nfs/dbraw/zinc/31/62/74/484316274.db2.gz JVYSAPFLKYTYMA-ZDUSSCGKSA-N 1 2 362.496 -0.023 20 30 FBEDLO CC(=O)N1CC[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000330195521 484317521 /nfs/dbraw/zinc/31/75/21/484317521.db2.gz ZOXHHTKGVOXJQY-GJZGRUSLSA-N 1 2 352.435 -0.256 20 30 FBEDLO CC(=O)N1CC[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000330195522 484316897 /nfs/dbraw/zinc/31/68/97/484316897.db2.gz ZOXHHTKGVOXJQY-LSDHHAIUSA-N 1 2 352.435 -0.256 20 30 FBEDLO C[C@H]([C@H](C)NC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC000330201140 484317830 /nfs/dbraw/zinc/31/78/30/484317830.db2.gz XIPFTTINGGUHCN-BFHYXJOUSA-N 1 2 362.496 -0.025 20 30 FBEDLO C[C@H](NC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1)[C@H](C)[NH+]1CCOCC1 ZINC000330201141 484317989 /nfs/dbraw/zinc/31/79/89/484317989.db2.gz XIPFTTINGGUHCN-MELADBBJSA-N 1 2 362.496 -0.025 20 30 FBEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330202492 484317250 /nfs/dbraw/zinc/31/72/50/484317250.db2.gz ZJLNGYYYPUMFBV-KGLIPLIRSA-N 1 2 361.512 -0.498 20 30 FBEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000330202493 484316982 /nfs/dbraw/zinc/31/69/82/484316982.db2.gz ZJLNGYYYPUMFBV-ZIAGYGMSSA-N 1 2 361.512 -0.498 20 30 FBEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCc2nnn(C)n2)CC1 ZINC000330209345 484318028 /nfs/dbraw/zinc/31/80/28/484318028.db2.gz BQXJLEDLEXZWAP-GFCCVEGCSA-N 1 2 350.427 -0.747 20 30 FBEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCc2nnn(C)n2)CC1 ZINC000330209346 484318016 /nfs/dbraw/zinc/31/80/16/484318016.db2.gz BQXJLEDLEXZWAP-LBPRGKRZSA-N 1 2 350.427 -0.747 20 30 FBEDLO CN(C(=O)NCC1([NH+]2CCOCC2)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000330214478 484317374 /nfs/dbraw/zinc/31/73/74/484317374.db2.gz LSDNHQDKVMLTPP-CYBMUJFWSA-N 1 2 360.480 -0.269 20 30 FBEDLO CN(C(=O)NCC1([NH+]2CCOCC2)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330214479 484317333 /nfs/dbraw/zinc/31/73/33/484317333.db2.gz LSDNHQDKVMLTPP-ZDUSSCGKSA-N 1 2 360.480 -0.269 20 30 FBEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000330228878 484318555 /nfs/dbraw/zinc/31/85/55/484318555.db2.gz CRYPQEVAKRUUOI-KGLIPLIRSA-N 1 2 360.480 -0.081 20 30 FBEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000330228878 484318550 /nfs/dbraw/zinc/31/85/50/484318550.db2.gz CRYPQEVAKRUUOI-KGLIPLIRSA-N 1 2 360.480 -0.081 20 30 FBEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000330228880 484319298 /nfs/dbraw/zinc/31/92/98/484319298.db2.gz CRYPQEVAKRUUOI-ZIAGYGMSSA-N 1 2 360.480 -0.081 20 30 FBEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000330228880 484319290 /nfs/dbraw/zinc/31/92/90/484319290.db2.gz CRYPQEVAKRUUOI-ZIAGYGMSSA-N 1 2 360.480 -0.081 20 30 FBEDLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000330233302 484318582 /nfs/dbraw/zinc/31/85/82/484318582.db2.gz FZFYIMPMROVETH-AWEZNQCLSA-N 1 2 373.461 -0.135 20 30 FBEDLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000330233303 484318484 /nfs/dbraw/zinc/31/84/84/484318484.db2.gz FZFYIMPMROVETH-CQSZACIVSA-N 1 2 373.461 -0.135 20 30 FBEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N1CCO[C@H](CO)C1 ZINC000330252103 484320448 /nfs/dbraw/zinc/32/04/48/484320448.db2.gz NZDQFQWFBBHYCB-HNNXBMFYSA-N 1 2 354.451 -0.462 20 30 FBEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N1CCO[C@@H](CO)C1 ZINC000330252104 484320671 /nfs/dbraw/zinc/32/06/71/484320671.db2.gz NZDQFQWFBBHYCB-OAHLLOKOSA-N 1 2 354.451 -0.462 20 30 FBEDLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc2n(n1)CCCO2 ZINC000330299741 484334708 /nfs/dbraw/zinc/33/47/08/484334708.db2.gz MOBPRIUUVBWGMF-CYBMUJFWSA-N 1 2 363.418 -0.097 20 30 FBEDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc2n(n1)CCCO2 ZINC000330299743 484333556 /nfs/dbraw/zinc/33/35/56/484333556.db2.gz MOBPRIUUVBWGMF-ZDUSSCGKSA-N 1 2 363.418 -0.097 20 30 FBEDLO O=C(NCC[NH+]1CCN(C(=O)N2CCOCC2)CC1)N1CCOCC1 ZINC000330317904 484369600 /nfs/dbraw/zinc/36/96/00/484369600.db2.gz QPNXKMYEDQYVFA-UHFFFAOYSA-N 1 2 355.439 -0.698 20 30 FBEDLO CN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)nc1 ZINC000330339816 484400298 /nfs/dbraw/zinc/40/02/98/484400298.db2.gz XDOLRHLDETVXFP-CHWSQXEVSA-N 1 2 369.447 -0.108 20 30 FBEDLO CN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)nc1 ZINC000330339816 484400293 /nfs/dbraw/zinc/40/02/93/484400293.db2.gz XDOLRHLDETVXFP-CHWSQXEVSA-N 1 2 369.447 -0.108 20 30 FBEDLO CN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)nc1 ZINC000330339817 484400314 /nfs/dbraw/zinc/40/03/14/484400314.db2.gz XDOLRHLDETVXFP-OLZOCXBDSA-N 1 2 369.447 -0.108 20 30 FBEDLO CN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)nc1 ZINC000330339817 484400310 /nfs/dbraw/zinc/40/03/10/484400310.db2.gz XDOLRHLDETVXFP-OLZOCXBDSA-N 1 2 369.447 -0.108 20 30 FBEDLO CN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)nc1 ZINC000330339818 484399868 /nfs/dbraw/zinc/39/98/68/484399868.db2.gz XDOLRHLDETVXFP-QWHCGFSZSA-N 1 2 369.447 -0.108 20 30 FBEDLO CN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)nc1 ZINC000330339818 484399863 /nfs/dbraw/zinc/39/98/63/484399863.db2.gz XDOLRHLDETVXFP-QWHCGFSZSA-N 1 2 369.447 -0.108 20 30 FBEDLO CN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)nc1 ZINC000330339819 484399624 /nfs/dbraw/zinc/39/96/24/484399624.db2.gz XDOLRHLDETVXFP-STQMWFEESA-N 1 2 369.447 -0.108 20 30 FBEDLO CN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)nc1 ZINC000330339819 484399616 /nfs/dbraw/zinc/39/96/16/484399616.db2.gz XDOLRHLDETVXFP-STQMWFEESA-N 1 2 369.447 -0.108 20 30 FBEDLO CN(C)C(=O)C1(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000330351357 484428640 /nfs/dbraw/zinc/42/86/40/484428640.db2.gz MDLVNKIYNMEGGT-CYBMUJFWSA-N 1 2 352.435 -0.256 20 30 FBEDLO CN(C)C(=O)C1(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000330351358 484429197 /nfs/dbraw/zinc/42/91/97/484429197.db2.gz MDLVNKIYNMEGGT-ZDUSSCGKSA-N 1 2 352.435 -0.256 20 30 FBEDLO Cc1cc(S(N)(=O)=O)ccc1CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000330409704 483914005 /nfs/dbraw/zinc/91/40/05/483914005.db2.gz KEKHFUIFZISKQX-AWEZNQCLSA-N 1 2 369.491 -0.108 20 30 FBEDLO Cc1cc(S(N)(=O)=O)ccc1CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000330409704 483914002 /nfs/dbraw/zinc/91/40/02/483914002.db2.gz KEKHFUIFZISKQX-AWEZNQCLSA-N 1 2 369.491 -0.108 20 30 FBEDLO Cc1cc(S(N)(=O)=O)ccc1CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000330409705 483914518 /nfs/dbraw/zinc/91/45/18/483914518.db2.gz KEKHFUIFZISKQX-CQSZACIVSA-N 1 2 369.491 -0.108 20 30 FBEDLO Cc1cc(S(N)(=O)=O)ccc1CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000330409705 483914517 /nfs/dbraw/zinc/91/45/17/483914517.db2.gz KEKHFUIFZISKQX-CQSZACIVSA-N 1 2 369.491 -0.108 20 30 FBEDLO CC(=O)N1CC[NH+](CCNC(=O)c2coc(S(=O)(=O)N(C)C)c2)CC1 ZINC000330436557 483913483 /nfs/dbraw/zinc/91/34/83/483913483.db2.gz AXLXGRUBWIYXNA-UHFFFAOYSA-N 1 2 372.447 -0.001 20 30 FBEDLO CCNC(=O)CN1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000330437986 483918020 /nfs/dbraw/zinc/91/80/20/483918020.db2.gz NILNCICWZRTWHZ-UHFFFAOYSA-N 1 2 355.483 -0.235 20 30 FBEDLO CCNC(=O)CN1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000330437986 483918019 /nfs/dbraw/zinc/91/80/19/483918019.db2.gz NILNCICWZRTWHZ-UHFFFAOYSA-N 1 2 355.483 -0.235 20 30 FBEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000330466277 483916741 /nfs/dbraw/zinc/91/67/41/483916741.db2.gz QWZUGJXLHJSGGR-KGLIPLIRSA-N 1 2 362.496 -0.118 20 30 FBEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000330466278 483916803 /nfs/dbraw/zinc/91/68/03/483916803.db2.gz QWZUGJXLHJSGGR-ZIAGYGMSSA-N 1 2 362.496 -0.118 20 30 FBEDLO C[C@H](CNC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC000330469606 483916475 /nfs/dbraw/zinc/91/64/75/483916475.db2.gz VHTPVQPIXUZMBJ-KGLIPLIRSA-N 1 2 362.496 -0.118 20 30 FBEDLO C[C@H](CNC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC000330469608 483916489 /nfs/dbraw/zinc/91/64/89/483916489.db2.gz VHTPVQPIXUZMBJ-ZIAGYGMSSA-N 1 2 362.496 -0.118 20 30 FBEDLO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)co1 ZINC000330471664 483916299 /nfs/dbraw/zinc/91/62/99/483916299.db2.gz FEDOGBKGRAOYTO-GFCCVEGCSA-N 1 2 361.420 -0.472 20 30 FBEDLO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)co1 ZINC000330471665 483916644 /nfs/dbraw/zinc/91/66/44/483916644.db2.gz FEDOGBKGRAOYTO-LBPRGKRZSA-N 1 2 361.420 -0.472 20 30 FBEDLO CCS(=O)(=O)N1CCC(NC(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000330481685 483916870 /nfs/dbraw/zinc/91/68/70/483916870.db2.gz SDTZMNMEENNHHF-UHFFFAOYSA-N 1 2 362.496 -0.022 20 30 FBEDLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000330496895 483921111 /nfs/dbraw/zinc/92/11/11/483921111.db2.gz YPMYBNWVKBTTMO-KBPBESRZSA-N 1 2 370.450 -0.235 20 30 FBEDLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000330496895 483921107 /nfs/dbraw/zinc/92/11/07/483921107.db2.gz YPMYBNWVKBTTMO-KBPBESRZSA-N 1 2 370.450 -0.235 20 30 FBEDLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000330496896 483921011 /nfs/dbraw/zinc/92/10/11/483921011.db2.gz YPMYBNWVKBTTMO-UONOGXRCSA-N 1 2 370.450 -0.235 20 30 FBEDLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000330496896 483921006 /nfs/dbraw/zinc/92/10/06/483921006.db2.gz YPMYBNWVKBTTMO-UONOGXRCSA-N 1 2 370.450 -0.235 20 30 FBEDLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](COCC(=O)N(C)C)OC(C)(C)C1 ZINC000330513205 483918658 /nfs/dbraw/zinc/91/86/58/483918658.db2.gz CZXNYSRYJAPNDE-NWDGAFQWSA-N 1 2 358.439 -0.381 20 30 FBEDLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](COCC(=O)N(C)C)OC(C)(C)C1 ZINC000330513205 483918655 /nfs/dbraw/zinc/91/86/55/483918655.db2.gz CZXNYSRYJAPNDE-NWDGAFQWSA-N 1 2 358.439 -0.381 20 30 FBEDLO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](COCC(=O)N(C)C)OC(C)(C)C1 ZINC000330513207 483919515 /nfs/dbraw/zinc/91/95/15/483919515.db2.gz CZXNYSRYJAPNDE-RYUDHWBXSA-N 1 2 358.439 -0.381 20 30 FBEDLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](COCC(=O)N(C)C)OC(C)(C)C1 ZINC000330513207 483919511 /nfs/dbraw/zinc/91/95/11/483919511.db2.gz CZXNYSRYJAPNDE-RYUDHWBXSA-N 1 2 358.439 -0.381 20 30 FBEDLO CCNC(=O)CN1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000330524525 483921977 /nfs/dbraw/zinc/92/19/77/483921977.db2.gz UQEZJNJNWFKUGR-UHFFFAOYSA-N 1 2 355.483 -0.235 20 30 FBEDLO CCNC(=O)CN1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000330524525 483921969 /nfs/dbraw/zinc/92/19/69/483921969.db2.gz UQEZJNJNWFKUGR-UHFFFAOYSA-N 1 2 355.483 -0.235 20 30 FBEDLO CCC1(CO)CC[NH+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000330524916 483923113 /nfs/dbraw/zinc/92/31/13/483923113.db2.gz LCGMHMIFPGHJCA-GFCCVEGCSA-N 1 2 361.464 -0.312 20 30 FBEDLO CCC1(CO)CC[NH+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000330524919 483922337 /nfs/dbraw/zinc/92/23/37/483922337.db2.gz LCGMHMIFPGHJCA-LBPRGKRZSA-N 1 2 361.464 -0.312 20 30 FBEDLO CS(=O)(=O)N1CCC(C(=O)N(CCC#N)CC[NH+]2CCOCC2)CC1 ZINC000330539228 483923598 /nfs/dbraw/zinc/92/35/98/483923598.db2.gz YLIWKJQGDBHFGW-UHFFFAOYSA-N 1 2 372.491 -0.268 20 30 FBEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(CC(=O)N2CCOCC2)CC1 ZINC000330609137 483925957 /nfs/dbraw/zinc/92/59/57/483925957.db2.gz RQWHLKRRDYPJFI-HNNXBMFYSA-N 1 2 351.451 -0.777 20 30 FBEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(CC(=O)N2CCOCC2)CC1 ZINC000330609138 483926628 /nfs/dbraw/zinc/92/66/28/483926628.db2.gz RQWHLKRRDYPJFI-OAHLLOKOSA-N 1 2 351.451 -0.777 20 30 FBEDLO CC(=O)N1CC[NH+](CCNC(=O)c2csc(S(N)(=O)=O)c2)CC1 ZINC000330609416 483925759 /nfs/dbraw/zinc/92/57/59/483925759.db2.gz RZXORGYKWPAVSK-UHFFFAOYSA-N 1 2 360.461 -0.136 20 30 FBEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)CC(=O)N2CCOCC2)CC1 ZINC000330610485 483926140 /nfs/dbraw/zinc/92/61/40/483926140.db2.gz OWEZZNFBWLTCCD-INIZCTEOSA-N 1 2 365.478 -0.531 20 30 FBEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)CC(=O)N2CCOCC2)CC1 ZINC000330610485 483926132 /nfs/dbraw/zinc/92/61/32/483926132.db2.gz OWEZZNFBWLTCCD-INIZCTEOSA-N 1 2 365.478 -0.531 20 30 FBEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)CC(=O)N2CCOCC2)CC1 ZINC000330610486 483926109 /nfs/dbraw/zinc/92/61/09/483926109.db2.gz OWEZZNFBWLTCCD-MRXNPFEDSA-N 1 2 365.478 -0.531 20 30 FBEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)CC(=O)N2CCOCC2)CC1 ZINC000330610486 483926097 /nfs/dbraw/zinc/92/60/97/483926097.db2.gz OWEZZNFBWLTCCD-MRXNPFEDSA-N 1 2 365.478 -0.531 20 30 FBEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCN(CC(N)=O)CC2)CC1 ZINC000330616977 483935498 /nfs/dbraw/zinc/93/54/98/483935498.db2.gz WMMNVJPKNCJVBY-HNNXBMFYSA-N 1 2 350.467 -0.168 20 30 FBEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCN(CC(N)=O)CC2)CC1 ZINC000330616978 483934645 /nfs/dbraw/zinc/93/46/45/483934645.db2.gz WMMNVJPKNCJVBY-OAHLLOKOSA-N 1 2 350.467 -0.168 20 30 FBEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)C1 ZINC000330626912 483936526 /nfs/dbraw/zinc/93/65/26/483936526.db2.gz JNSLJAHPFSSBPE-DTWKUNHWSA-N 1 2 374.385 -0.019 20 30 FBEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)C1 ZINC000330626912 483936516 /nfs/dbraw/zinc/93/65/16/483936516.db2.gz JNSLJAHPFSSBPE-DTWKUNHWSA-N 1 2 374.385 -0.019 20 30 FBEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C1 ZINC000330626913 483937265 /nfs/dbraw/zinc/93/72/65/483937265.db2.gz JNSLJAHPFSSBPE-RKDXNWHRSA-N 1 2 374.385 -0.019 20 30 FBEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C1 ZINC000330626913 483937260 /nfs/dbraw/zinc/93/72/60/483937260.db2.gz JNSLJAHPFSSBPE-RKDXNWHRSA-N 1 2 374.385 -0.019 20 30 FBEDLO CCNC(=O)CN1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000330631774 483936657 /nfs/dbraw/zinc/93/66/57/483936657.db2.gz GNDQPUBDFBAGGD-CABCVRRESA-N 1 2 355.483 -0.237 20 30 FBEDLO CCNC(=O)CN1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000330631775 483937003 /nfs/dbraw/zinc/93/70/03/483937003.db2.gz GNDQPUBDFBAGGD-HUUCEWRRSA-N 1 2 355.483 -0.237 20 30 FBEDLO C=CCNC(=O)NC(=O)CN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000330636051 483936171 /nfs/dbraw/zinc/93/61/71/483936171.db2.gz BDEJKAXEJYWCTA-UHFFFAOYSA-N 1 2 351.451 -0.167 20 30 FBEDLO COCC1(C)CC[NH+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000330640486 483931610 /nfs/dbraw/zinc/93/16/10/483931610.db2.gz DZXODPIUKJABLT-GFCCVEGCSA-N 1 2 361.464 -0.048 20 30 FBEDLO COCC1(C)CC[NH+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000330640487 483931810 /nfs/dbraw/zinc/93/18/10/483931810.db2.gz DZXODPIUKJABLT-LBPRGKRZSA-N 1 2 361.464 -0.048 20 30 FBEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000330642392 483931415 /nfs/dbraw/zinc/93/14/15/483931415.db2.gz RDCXJPFXQSHZGT-CYBMUJFWSA-N 1 2 363.418 -0.960 20 30 FBEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000330642393 483930697 /nfs/dbraw/zinc/93/06/97/483930697.db2.gz RDCXJPFXQSHZGT-ZDUSSCGKSA-N 1 2 363.418 -0.960 20 30 FBEDLO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+](C)CC(=O)N1CCOCC1 ZINC000330645706 483931751 /nfs/dbraw/zinc/93/17/51/483931751.db2.gz ZAELWHKAJSWVCG-SECBINFHSA-N 1 2 354.329 -0.242 20 30 FBEDLO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)CC(=O)N1CCOCC1 ZINC000330645706 483931746 /nfs/dbraw/zinc/93/17/46/483931746.db2.gz ZAELWHKAJSWVCG-SECBINFHSA-N 1 2 354.329 -0.242 20 30 FBEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000330648372 483932066 /nfs/dbraw/zinc/93/20/66/483932066.db2.gz NNBRJUPBYJTDES-KBPBESRZSA-N 1 2 357.480 -0.958 20 30 FBEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000330648372 483932063 /nfs/dbraw/zinc/93/20/63/483932063.db2.gz NNBRJUPBYJTDES-KBPBESRZSA-N 1 2 357.480 -0.958 20 30 FBEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000330648373 483931001 /nfs/dbraw/zinc/93/10/01/483931001.db2.gz NNBRJUPBYJTDES-KGLIPLIRSA-N 1 2 357.480 -0.958 20 30 FBEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000330648373 483930997 /nfs/dbraw/zinc/93/09/97/483930997.db2.gz NNBRJUPBYJTDES-KGLIPLIRSA-N 1 2 357.480 -0.958 20 30 FBEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000330648374 483931375 /nfs/dbraw/zinc/93/13/75/483931375.db2.gz NNBRJUPBYJTDES-UONOGXRCSA-N 1 2 357.480 -0.958 20 30 FBEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000330648374 483931369 /nfs/dbraw/zinc/93/13/69/483931369.db2.gz NNBRJUPBYJTDES-UONOGXRCSA-N 1 2 357.480 -0.958 20 30 FBEDLO 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C[C@H](C#N)CN(C)S(=O)(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000374450246 484260487 /nfs/dbraw/zinc/26/04/87/484260487.db2.gz FGNOVFPKZHSETF-ZIAGYGMSSA-N 1 2 357.480 -0.391 20 30 FBEDLO COCCN(CCC#N)S(=O)(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000374453221 484261374 /nfs/dbraw/zinc/26/13/74/484261374.db2.gz POVWCZZDDHKTQL-CABCVRRESA-N 1 2 360.480 -0.064 20 30 FBEDLO COCCN(CCC#N)S(=O)(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000374453221 484261368 /nfs/dbraw/zinc/26/13/68/484261368.db2.gz POVWCZZDDHKTQL-CABCVRRESA-N 1 2 360.480 -0.064 20 30 FBEDLO COCCN(CCC#N)S(=O)(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000374453222 484260949 /nfs/dbraw/zinc/26/09/49/484260949.db2.gz POVWCZZDDHKTQL-GJZGRUSLSA-N 1 2 360.480 -0.064 20 30 FBEDLO COCCN(CCC#N)S(=O)(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000374453222 484260945 /nfs/dbraw/zinc/26/09/45/484260945.db2.gz POVWCZZDDHKTQL-GJZGRUSLSA-N 1 2 360.480 -0.064 20 30 FBEDLO COCCN(CCC#N)S(=O)(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000374453223 484261222 /nfs/dbraw/zinc/26/12/22/484261222.db2.gz POVWCZZDDHKTQL-HUUCEWRRSA-N 1 2 360.480 -0.064 20 30 FBEDLO COCCN(CCC#N)S(=O)(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000374453223 484261218 /nfs/dbraw/zinc/26/12/18/484261218.db2.gz POVWCZZDDHKTQL-HUUCEWRRSA-N 1 2 360.480 -0.064 20 30 FBEDLO COCCN(CCC#N)S(=O)(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000374453224 484261092 /nfs/dbraw/zinc/26/10/92/484261092.db2.gz POVWCZZDDHKTQL-LSDHHAIUSA-N 1 2 360.480 -0.064 20 30 FBEDLO COCCN(CCC#N)S(=O)(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000374453224 484261089 /nfs/dbraw/zinc/26/10/89/484261089.db2.gz POVWCZZDDHKTQL-LSDHHAIUSA-N 1 2 360.480 -0.064 20 30 FBEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000374454029 484260776 /nfs/dbraw/zinc/26/07/76/484260776.db2.gz UDLCGFJVQHKRNP-CABCVRRESA-N 1 2 371.507 -0.001 20 30 FBEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000374454033 484261496 /nfs/dbraw/zinc/26/14/96/484261496.db2.gz UDLCGFJVQHKRNP-GJZGRUSLSA-N 1 2 371.507 -0.001 20 30 FBEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000374454034 484260709 /nfs/dbraw/zinc/26/07/09/484260709.db2.gz UDLCGFJVQHKRNP-HUUCEWRRSA-N 1 2 371.507 -0.001 20 30 FBEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000374454035 484261175 /nfs/dbraw/zinc/26/11/75/484261175.db2.gz UDLCGFJVQHKRNP-LSDHHAIUSA-N 1 2 371.507 -0.001 20 30 FBEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000374456102 484260725 /nfs/dbraw/zinc/26/07/25/484260725.db2.gz IHFXSKWLYDKZFA-CYBMUJFWSA-N 1 2 357.480 -0.262 20 30 FBEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000374456103 484261201 /nfs/dbraw/zinc/26/12/01/484261201.db2.gz IHFXSKWLYDKZFA-ZDUSSCGKSA-N 1 2 357.480 -0.262 20 30 FBEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000374460962 484261120 /nfs/dbraw/zinc/26/11/20/484261120.db2.gz VWRHPSHZZXPFSY-CYBMUJFWSA-N 1 2 357.480 -0.439 20 30 FBEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000374460962 484261115 /nfs/dbraw/zinc/26/11/15/484261115.db2.gz VWRHPSHZZXPFSY-CYBMUJFWSA-N 1 2 357.480 -0.439 20 30 FBEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000374460963 484260757 /nfs/dbraw/zinc/26/07/57/484260757.db2.gz VWRHPSHZZXPFSY-ZDUSSCGKSA-N 1 2 357.480 -0.439 20 30 FBEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000374460963 484260752 /nfs/dbraw/zinc/26/07/52/484260752.db2.gz VWRHPSHZZXPFSY-ZDUSSCGKSA-N 1 2 357.480 -0.439 20 30 FBEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000374462031 484261049 /nfs/dbraw/zinc/26/10/49/484261049.db2.gz ZIABBSCESXSSOE-AWEZNQCLSA-N 1 2 371.507 -0.049 20 30 FBEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000374462031 484261045 /nfs/dbraw/zinc/26/10/45/484261045.db2.gz ZIABBSCESXSSOE-AWEZNQCLSA-N 1 2 371.507 -0.049 20 30 FBEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000374462032 484260742 /nfs/dbraw/zinc/26/07/42/484260742.db2.gz ZIABBSCESXSSOE-CQSZACIVSA-N 1 2 371.507 -0.049 20 30 FBEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000374462032 484260735 /nfs/dbraw/zinc/26/07/35/484260735.db2.gz ZIABBSCESXSSOE-CQSZACIVSA-N 1 2 371.507 -0.049 20 30 FBEDLO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000374463714 484261161 /nfs/dbraw/zinc/26/11/61/484261161.db2.gz YSQMPIKFITYZHV-CABCVRRESA-N 1 2 360.480 -0.206 20 30 FBEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000374463715 484261236 /nfs/dbraw/zinc/26/12/36/484261236.db2.gz YSQMPIKFITYZHV-GJZGRUSLSA-N 1 2 360.480 -0.206 20 30 FBEDLO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000374463716 484260647 /nfs/dbraw/zinc/26/06/47/484260647.db2.gz YSQMPIKFITYZHV-HUUCEWRRSA-N 1 2 360.480 -0.206 20 30 FBEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000374463717 484261294 /nfs/dbraw/zinc/26/12/94/484261294.db2.gz YSQMPIKFITYZHV-LSDHHAIUSA-N 1 2 360.480 -0.206 20 30 FBEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000374585160 484266293 /nfs/dbraw/zinc/26/62/93/484266293.db2.gz MNRITFJXNYXMCZ-KBPBESRZSA-N 1 2 357.480 -0.249 20 30 FBEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000374585161 484265583 /nfs/dbraw/zinc/26/55/83/484265583.db2.gz MNRITFJXNYXMCZ-KGLIPLIRSA-N 1 2 357.480 -0.249 20 30 FBEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000374585162 484265826 /nfs/dbraw/zinc/26/58/26/484265826.db2.gz MNRITFJXNYXMCZ-UONOGXRCSA-N 1 2 357.480 -0.249 20 30 FBEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000374585163 484266358 /nfs/dbraw/zinc/26/63/58/484266358.db2.gz MNRITFJXNYXMCZ-ZIAGYGMSSA-N 1 2 357.480 -0.249 20 30 FBEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)N(CCOC)CCOC)CC1 ZINC000375109439 484289764 /nfs/dbraw/zinc/28/97/64/484289764.db2.gz COJCZKWOUWCYON-UHFFFAOYSA-N 1 2 354.451 -0.542 20 30 FBEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)N(CCOC)CCOC)CC1 ZINC000375109439 484289758 /nfs/dbraw/zinc/28/97/58/484289758.db2.gz COJCZKWOUWCYON-UHFFFAOYSA-N 1 2 354.451 -0.542 20 30 FBEDLO CN1C[C@H]2CN(CC#CC[N@H+]3CCN4C(=O)N(C)C[C@H]4C3)CCN2C1=O ZINC000375323646 484300361 /nfs/dbraw/zinc/30/03/61/484300361.db2.gz JCBGJFMKZFOEPK-HOTGVXAUSA-N 1 2 360.462 -0.907 20 30 FBEDLO CN1C[C@H]2CN(CC#CC[N@@H+]3CCN4C(=O)N(C)C[C@H]4C3)CCN2C1=O ZINC000375323646 484300357 /nfs/dbraw/zinc/30/03/57/484300357.db2.gz JCBGJFMKZFOEPK-HOTGVXAUSA-N 1 2 360.462 -0.907 20 30 FBEDLO CN1C[C@@H]2C[N@@H+](CC#CCN3CCN4C(=O)N(C)C[C@@H]4C3)CCN2C1=O ZINC000375323647 484299830 /nfs/dbraw/zinc/29/98/30/484299830.db2.gz JCBGJFMKZFOEPK-HZPDHXFCSA-N 1 2 360.462 -0.907 20 30 FBEDLO CN1C[C@@H]2C[N@H+](CC#CCN3CCN4C(=O)N(C)C[C@@H]4C3)CCN2C1=O ZINC000375323647 484299824 /nfs/dbraw/zinc/29/98/24/484299824.db2.gz JCBGJFMKZFOEPK-HZPDHXFCSA-N 1 2 360.462 -0.907 20 30 FBEDLO COCCN(CCC#N)S(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000375596004 484313511 /nfs/dbraw/zinc/31/35/11/484313511.db2.gz JEJGXGQWUPRIRT-HNNXBMFYSA-N 1 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ZINC000375706843 484319517 /nfs/dbraw/zinc/31/95/17/484319517.db2.gz WLUGLOKJDQMENQ-CYBMUJFWSA-N 1 2 357.480 -0.119 20 30 FBEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000375706844 484319784 /nfs/dbraw/zinc/31/97/84/484319784.db2.gz WLUGLOKJDQMENQ-ZDUSSCGKSA-N 1 2 357.480 -0.119 20 30 FBEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000375707842 484320316 /nfs/dbraw/zinc/32/03/16/484320316.db2.gz OONQMCAEOBUYDQ-CYBMUJFWSA-N 1 2 357.480 -0.296 20 30 FBEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000375707842 484320307 /nfs/dbraw/zinc/32/03/07/484320307.db2.gz OONQMCAEOBUYDQ-CYBMUJFWSA-N 1 2 357.480 -0.296 20 30 FBEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000375707843 484320966 /nfs/dbraw/zinc/32/09/66/484320966.db2.gz OONQMCAEOBUYDQ-ZDUSSCGKSA-N 1 2 357.480 -0.296 20 30 FBEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000375707843 484320960 /nfs/dbraw/zinc/32/09/60/484320960.db2.gz 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C#CCCCS(=O)(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000376328592 484351265 /nfs/dbraw/zinc/35/12/65/484351265.db2.gz UDHGKTWMDHSIBR-OAHLLOKOSA-N 1 2 357.476 -0.358 20 30 FBEDLO C#CCNc1nc(N2C[C@@H](O)C3(CC3)C2)nc(N2C[C@H](O)C3(CC3)C2)[nH+]1 ZINC000376435352 484356983 /nfs/dbraw/zinc/35/69/83/484356983.db2.gz NUIXKPYSDGZHCI-BETUJISGSA-N 1 2 356.430 -0.739 20 30 FBEDLO C#CCNc1nc(N2C[C@@H](O)C3(CC3)C2)[nH+]c(N2C[C@@H](O)C3(CC3)C2)n1 ZINC000376435356 484356629 /nfs/dbraw/zinc/35/66/29/484356629.db2.gz NUIXKPYSDGZHCI-CHWSQXEVSA-N 1 2 356.430 -0.739 20 30 FBEDLO C#CCNc1nc(N2C[C@@H](O)C3(CC3)C2)nc(N2C[C@@H](O)C3(CC3)C2)[nH+]1 ZINC000376435356 484356622 /nfs/dbraw/zinc/35/66/22/484356622.db2.gz NUIXKPYSDGZHCI-CHWSQXEVSA-N 1 2 356.430 -0.739 20 30 FBEDLO C#CCNc1nc(N2C[C@H](O)C3(CC3)C2)[nH+]c(N2C[C@H](O)C3(CC3)C2)n1 ZINC000376435357 484357201 /nfs/dbraw/zinc/35/72/01/484357201.db2.gz NUIXKPYSDGZHCI-STQMWFEESA-N 1 2 356.430 -0.739 20 30 FBEDLO 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N#C[C@H]1CN(S(=O)(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CCO1 ZINC000409591228 483778025 /nfs/dbraw/zinc/77/80/25/483778025.db2.gz JGORBLPXPVXROR-AWEZNQCLSA-N 1 2 367.431 -0.523 20 30 FBEDLO N#C[C@@H]1CN(S(=O)(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CCO1 ZINC000409591229 483778282 /nfs/dbraw/zinc/77/82/82/483778282.db2.gz JGORBLPXPVXROR-CQSZACIVSA-N 1 2 367.431 -0.523 20 30 FBEDLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)N(C)C[C@H](C)C#N)CC1 ZINC000409593935 483778589 /nfs/dbraw/zinc/77/85/89/483778589.db2.gz YNNIRJJJBCRJTK-CYBMUJFWSA-N 1 2 359.496 -0.097 20 30 FBEDLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)N(C)C[C@@H](C)C#N)CC1 ZINC000409593936 483778909 /nfs/dbraw/zinc/77/89/09/483778909.db2.gz YNNIRJJJBCRJTK-ZDUSSCGKSA-N 1 2 359.496 -0.097 20 30 FBEDLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 ZINC000409594296 483778888 /nfs/dbraw/zinc/77/88/88/483778888.db2.gz AVKPXGUKQCXUSK-AWEZNQCLSA-N 1 2 373.479 -0.964 20 30 FBEDLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)N2CCO[C@H](C#N)C2)CC1 ZINC000409594300 483778814 /nfs/dbraw/zinc/77/88/14/483778814.db2.gz AVKPXGUKQCXUSK-CQSZACIVSA-N 1 2 373.479 -0.964 20 30 FBEDLO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000409718935 484613412 /nfs/dbraw/zinc/61/34/12/484613412.db2.gz WWOQTRZSARNPND-GFCCVEGCSA-N 1 2 350.379 -0.955 20 30 FBEDLO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000409718936 484613025 /nfs/dbraw/zinc/61/30/25/484613025.db2.gz WWOQTRZSARNPND-LBPRGKRZSA-N 1 2 350.379 -0.955 20 30 FBEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000410131920 483789682 /nfs/dbraw/zinc/78/96/82/483789682.db2.gz RRRUNDBKVWBYLU-CYBMUJFWSA-N 1 2 359.496 -0.145 20 30 FBEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000410131921 483789978 /nfs/dbraw/zinc/78/99/78/483789978.db2.gz RRRUNDBKVWBYLU-ZDUSSCGKSA-N 1 2 359.496 -0.145 20 30 FBEDLO CC(C)[C@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)[NH+]1CCN(C)CC1 ZINC000410133593 483790665 /nfs/dbraw/zinc/79/06/65/483790665.db2.gz IXDLKQJFKVKHCA-CABCVRRESA-N 1 2 359.496 -0.683 20 30 FBEDLO CC(C)[C@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)[NH+]1CCN(C)CC1 ZINC000410133594 483790360 /nfs/dbraw/zinc/79/03/60/483790360.db2.gz IXDLKQJFKVKHCA-GJZGRUSLSA-N 1 2 359.496 -0.683 20 30 FBEDLO CC(C)[C@@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)[NH+]1CCN(C)CC1 ZINC000410133595 483790571 /nfs/dbraw/zinc/79/05/71/483790571.db2.gz IXDLKQJFKVKHCA-HUUCEWRRSA-N 1 2 359.496 -0.683 20 30 FBEDLO CC(C)[C@@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)[NH+]1CCN(C)CC1 ZINC000410133596 483790244 /nfs/dbraw/zinc/79/02/44/483790244.db2.gz IXDLKQJFKVKHCA-LSDHHAIUSA-N 1 2 359.496 -0.683 20 30 FBEDLO N#C[C@H]1CN(S(=O)(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CCO1 ZINC000410134414 483790266 /nfs/dbraw/zinc/79/02/66/483790266.db2.gz MNPVUPWZVAYSOM-CABCVRRESA-N 1 2 358.464 -0.358 20 30 FBEDLO N#C[C@H]1CN(S(=O)(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CCO1 ZINC000410134416 483790583 /nfs/dbraw/zinc/79/05/83/483790583.db2.gz MNPVUPWZVAYSOM-GJZGRUSLSA-N 1 2 358.464 -0.358 20 30 FBEDLO N#C[C@@H]1CN(S(=O)(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CCO1 ZINC000410134418 483790290 /nfs/dbraw/zinc/79/02/90/483790290.db2.gz MNPVUPWZVAYSOM-HUUCEWRRSA-N 1 2 358.464 -0.358 20 30 FBEDLO N#C[C@@H]1CN(S(=O)(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CCO1 ZINC000410134422 483790476 /nfs/dbraw/zinc/79/04/76/483790476.db2.gz MNPVUPWZVAYSOM-LSDHHAIUSA-N 1 2 358.464 -0.358 20 30 FBEDLO COCCN(CCC#N)S(=O)(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000410148383 483790902 /nfs/dbraw/zinc/79/09/02/483790902.db2.gz FOMIIOIKJHDPFE-UHFFFAOYSA-N 1 2 370.479 -0.355 20 30 FBEDLO N#C[C@H]1CN(S(=O)(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)CCO1 ZINC000410148723 483790976 /nfs/dbraw/zinc/79/09/76/483790976.db2.gz RUCRALSFVFYQFI-INIZCTEOSA-N 1 2 366.443 -0.021 20 30 FBEDLO N#C[C@@H]1CN(S(=O)(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)CCO1 ZINC000410148724 483790964 /nfs/dbraw/zinc/79/09/64/483790964.db2.gz RUCRALSFVFYQFI-MRXNPFEDSA-N 1 2 366.443 -0.021 20 30 FBEDLO COCCN(CCC#N)S(=O)(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000410149915 483791136 /nfs/dbraw/zinc/79/11/36/483791136.db2.gz YDNOTBFZAXHEGL-UHFFFAOYSA-N 1 2 356.452 -0.366 20 30 FBEDLO Cn1cc[nH+]c1CN1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 ZINC000410153353 483790840 /nfs/dbraw/zinc/79/08/40/483790840.db2.gz YHMYSEDSVLKCCP-CYBMUJFWSA-N 1 2 354.436 -0.993 20 30 FBEDLO Cn1cc[nH+]c1CN1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 ZINC000410153354 483790946 /nfs/dbraw/zinc/79/09/46/483790946.db2.gz YHMYSEDSVLKCCP-ZDUSSCGKSA-N 1 2 354.436 -0.993 20 30 FBEDLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 ZINC000410153444 483791105 /nfs/dbraw/zinc/79/11/05/483791105.db2.gz ICSKRARBIPZHJU-CHWSQXEVSA-N 1 2 360.436 -0.975 20 30 FBEDLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 ZINC000410153446 483790932 /nfs/dbraw/zinc/79/09/32/483790932.db2.gz ICSKRARBIPZHJU-OLZOCXBDSA-N 1 2 360.436 -0.975 20 30 FBEDLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 ZINC000410153447 483790914 /nfs/dbraw/zinc/79/09/14/483790914.db2.gz ICSKRARBIPZHJU-QWHCGFSZSA-N 1 2 360.436 -0.975 20 30 FBEDLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 ZINC000410153449 483791123 /nfs/dbraw/zinc/79/11/23/483791123.db2.gz ICSKRARBIPZHJU-STQMWFEESA-N 1 2 360.436 -0.975 20 30 FBEDLO C=CCN1CC[C@H]([NH+]2CCN([C@H](C)C(=O)NCCCOC)CC2)C1=O ZINC000410350420 483797206 /nfs/dbraw/zinc/79/72/06/483797206.db2.gz TXIIHSATIDQKOZ-CVEARBPZSA-N 1 2 352.479 -0.068 20 30 FBEDLO C=CCN1CC[C@H]([NH+]2CCN([C@@H](C)C(=O)NCCCOC)CC2)C1=O ZINC000410350422 483797735 /nfs/dbraw/zinc/79/77/35/483797735.db2.gz TXIIHSATIDQKOZ-HOTGVXAUSA-N 1 2 352.479 -0.068 20 30 FBEDLO C=CCN1CC[C@@H]([NH+]2CCN([C@H](C)C(=O)NCCCOC)CC2)C1=O ZINC000410350424 483797414 /nfs/dbraw/zinc/79/74/14/483797414.db2.gz TXIIHSATIDQKOZ-HZPDHXFCSA-N 1 2 352.479 -0.068 20 30 FBEDLO C=CCN1CC[C@@H]([NH+]2CCN([C@@H](C)C(=O)NCCCOC)CC2)C1=O ZINC000410350425 483797294 /nfs/dbraw/zinc/79/72/94/483797294.db2.gz TXIIHSATIDQKOZ-JKSUJKDBSA-N 1 2 352.479 -0.068 20 30 FBEDLO N#Cc1cccc(N2CCN(C(=O)C(=O)N3CCn4c[nH+]cc4C3)CC2)n1 ZINC000410803030 484621510 /nfs/dbraw/zinc/62/15/10/484621510.db2.gz USQDLDQGXIYMRF-UHFFFAOYSA-N 1 2 365.397 -0.159 20 30 FBEDLO Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[NH+](C)CC3)CC2)c1C#N ZINC000410834193 484621888 /nfs/dbraw/zinc/62/18/88/484621888.db2.gz JRSPMHVMVGIDJG-UHFFFAOYSA-N 1 2 359.434 -0.977 20 30 FBEDLO C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000411290617 484185923 /nfs/dbraw/zinc/18/59/23/484185923.db2.gz JCNIVKNWIBIICX-UHFFFAOYSA-N 1 2 370.413 -0.281 20 30 FBEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411690294 484214484 /nfs/dbraw/zinc/21/44/84/484214484.db2.gz HGERYVAVBQKIBG-GFCCVEGCSA-N 1 2 358.464 -0.113 20 30 FBEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411690294 484214479 /nfs/dbraw/zinc/21/44/79/484214479.db2.gz HGERYVAVBQKIBG-GFCCVEGCSA-N 1 2 358.464 -0.113 20 30 FBEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411690296 484213992 /nfs/dbraw/zinc/21/39/92/484213992.db2.gz HGERYVAVBQKIBG-LBPRGKRZSA-N 1 2 358.464 -0.113 20 30 FBEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411690296 484213988 /nfs/dbraw/zinc/21/39/88/484213988.db2.gz HGERYVAVBQKIBG-LBPRGKRZSA-N 1 2 358.464 -0.113 20 30 FBEDLO COC(=O)[C@@H]1CN(CCS(=O)(=O)c2ccc(C#N)cn2)CC[N@@H+](C)C1 ZINC000411918673 484633422 /nfs/dbraw/zinc/63/34/22/484633422.db2.gz PANBRJYIRJYMOH-AWEZNQCLSA-N 1 2 366.443 -0.236 20 30 FBEDLO COC(=O)[C@@H]1CN(CCS(=O)(=O)c2ccc(C#N)cn2)CC[N@H+](C)C1 ZINC000411918673 484633414 /nfs/dbraw/zinc/63/34/14/484633414.db2.gz PANBRJYIRJYMOH-AWEZNQCLSA-N 1 2 366.443 -0.236 20 30 FBEDLO COC(=O)[C@H]1CN(CCS(=O)(=O)c2ccc(C#N)cn2)CC[N@@H+](C)C1 ZINC000411918674 484633602 /nfs/dbraw/zinc/63/36/02/484633602.db2.gz PANBRJYIRJYMOH-CQSZACIVSA-N 1 2 366.443 -0.236 20 30 FBEDLO COC(=O)[C@H]1CN(CCS(=O)(=O)c2ccc(C#N)cn2)CC[N@H+](C)C1 ZINC000411918674 484633597 /nfs/dbraw/zinc/63/35/97/484633597.db2.gz PANBRJYIRJYMOH-CQSZACIVSA-N 1 2 366.443 -0.236 20 30 FBEDLO C[NH+]1CCN(S(=O)(=O)N2CCN(c3ncc(C#N)cc3F)CC2)CC1 ZINC000413056271 484645949 /nfs/dbraw/zinc/64/59/49/484645949.db2.gz VGCQBJJFWGGARY-UHFFFAOYSA-N 1 2 368.438 -0.293 20 30 FBEDLO C=CCN1C(=O)C(=O)N(CC(=O)NC(C)(C)C[NH+]2CCOCC2)C1=O ZINC000413967042 484306259 /nfs/dbraw/zinc/30/62/59/484306259.db2.gz NXWPDRKTAGDDFJ-UHFFFAOYSA-N 1 2 352.391 -0.810 20 30 FBEDLO N#Cc1ccc(S(=O)(=O)NCC(=O)NCC[NH+]2CCOCC2)cc1F ZINC000414459629 484657210 /nfs/dbraw/zinc/65/72/10/484657210.db2.gz BQUHOKKTSXDGFU-UHFFFAOYSA-N 1 2 370.406 -0.576 20 30 FBEDLO Cc1cc(S(=O)(=O)NCC(=O)NCC[NH+]2CCOCC2)ccc1C#N ZINC000414463363 484656923 /nfs/dbraw/zinc/65/69/23/484656923.db2.gz GTRUMBIOSJRMAT-UHFFFAOYSA-N 1 2 366.443 -0.407 20 30 FBEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000414470698 484657149 /nfs/dbraw/zinc/65/71/49/484657149.db2.gz PFUCHMRWLKWQRV-UHFFFAOYSA-N 1 2 366.443 -0.407 20 30 FBEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000414472962 484657037 /nfs/dbraw/zinc/65/70/37/484657037.db2.gz USYUSRKPRGGNTK-UHFFFAOYSA-N 1 2 366.443 -0.407 20 30 FBEDLO COCCN(CCC#N)S(=O)(=O)N1CC[NH+](CCC(=O)OC)CC1 ZINC000416369826 483887004 /nfs/dbraw/zinc/88/70/04/483887004.db2.gz JSUKQZPGKYONAM-UHFFFAOYSA-N 1 2 362.452 -0.726 20 30 FBEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000416571840 483890140 /nfs/dbraw/zinc/89/01/40/483890140.db2.gz PNDBAAUYLRWLAI-AWEZNQCLSA-N 1 2 362.496 -0.008 20 30 FBEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000416571841 483889860 /nfs/dbraw/zinc/88/98/60/483889860.db2.gz PNDBAAUYLRWLAI-CQSZACIVSA-N 1 2 362.496 -0.008 20 30 FBEDLO COC(=O)[C@H]1CN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC[N@@H+](C)C1 ZINC000416592117 484667908 /nfs/dbraw/zinc/66/79/08/484667908.db2.gz UMSRJYCAUPMJTC-CYBMUJFWSA-N 1 2 352.416 -0.013 20 30 FBEDLO COC(=O)[C@H]1CN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC[N@H+](C)C1 ZINC000416592117 484667903 /nfs/dbraw/zinc/66/79/03/484667903.db2.gz UMSRJYCAUPMJTC-CYBMUJFWSA-N 1 2 352.416 -0.013 20 30 FBEDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC[N@@H+](C)C1 ZINC000416592118 484667864 /nfs/dbraw/zinc/66/78/64/484667864.db2.gz UMSRJYCAUPMJTC-ZDUSSCGKSA-N 1 2 352.416 -0.013 20 30 FBEDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC[N@H+](C)C1 ZINC000416592118 484667863 /nfs/dbraw/zinc/66/78/63/484667863.db2.gz UMSRJYCAUPMJTC-ZDUSSCGKSA-N 1 2 352.416 -0.013 20 30 FBEDLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000419342282 484690161 /nfs/dbraw/zinc/69/01/61/484690161.db2.gz BYVOMRHXPJJEFX-HNNXBMFYSA-N 1 2 358.398 -0.072 20 30 FBEDLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000419342282 484690155 /nfs/dbraw/zinc/69/01/55/484690155.db2.gz BYVOMRHXPJJEFX-HNNXBMFYSA-N 1 2 358.398 -0.072 20 30 FBEDLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000419342283 484689444 /nfs/dbraw/zinc/68/94/44/484689444.db2.gz BYVOMRHXPJJEFX-OAHLLOKOSA-N 1 2 358.398 -0.072 20 30 FBEDLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000419342283 484689440 /nfs/dbraw/zinc/68/94/40/484689440.db2.gz BYVOMRHXPJJEFX-OAHLLOKOSA-N 1 2 358.398 -0.072 20 30 FBEDLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000419345523 484691194 /nfs/dbraw/zinc/69/11/94/484691194.db2.gz LHIMXKKYKKDGLH-HNNXBMFYSA-N 1 2 358.398 -0.072 20 30 FBEDLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000419345523 484691186 /nfs/dbraw/zinc/69/11/86/484691186.db2.gz LHIMXKKYKKDGLH-HNNXBMFYSA-N 1 2 358.398 -0.072 20 30 FBEDLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000419345524 484691866 /nfs/dbraw/zinc/69/18/66/484691866.db2.gz LHIMXKKYKKDGLH-OAHLLOKOSA-N 1 2 358.398 -0.072 20 30 FBEDLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000419345524 484691863 /nfs/dbraw/zinc/69/18/63/484691863.db2.gz LHIMXKKYKKDGLH-OAHLLOKOSA-N 1 2 358.398 -0.072 20 30 FBEDLO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)NCC#N ZINC000421031813 484884370 /nfs/dbraw/zinc/88/43/70/484884370.db2.gz WFMVBRLPRNMGHS-UHFFFAOYSA-N 1 2 355.376 -0.555 20 30 FBEDLO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)NCC#N ZINC000421031813 484884367 /nfs/dbraw/zinc/88/43/67/484884367.db2.gz WFMVBRLPRNMGHS-UHFFFAOYSA-N 1 2 355.376 -0.555 20 30 FBEDLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1 ZINC000421411061 484729528 /nfs/dbraw/zinc/72/95/28/484729528.db2.gz BAIWEZFUCARVLH-UHFFFAOYSA-N 1 2 374.441 -0.020 20 30 FBEDLO Cn1cc(C#N)c(=O)n(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1=O ZINC000421844063 484735227 /nfs/dbraw/zinc/73/52/27/484735227.db2.gz NPAPISLOTJLRNL-UHFFFAOYSA-N 1 2 373.438 -0.175 20 30 FBEDLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCC(C)(C)CC#N)CC1 ZINC000422484888 485025644 /nfs/dbraw/zinc/02/56/44/485025644.db2.gz BQFSOPDTDVDNMC-UHFFFAOYSA-N 1 2 354.451 -0.152 20 30 FBEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@@H]3CNC(=O)C3)CC2)cc1 ZINC000422501269 484740313 /nfs/dbraw/zinc/74/03/13/484740313.db2.gz FWDCUPRIVBVGFR-INIZCTEOSA-N 1 2 369.425 -0.545 20 30 FBEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@H]3CNC(=O)C3)CC2)cc1 ZINC000422501271 484739863 /nfs/dbraw/zinc/73/98/63/484739863.db2.gz FWDCUPRIVBVGFR-MRXNPFEDSA-N 1 2 369.425 -0.545 20 30 FBEDLO C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)CC1 ZINC000422585628 485036744 /nfs/dbraw/zinc/03/67/44/485036744.db2.gz DEWQZXWWCOVZEJ-UHFFFAOYSA-N 1 2 373.457 -0.239 20 30 FBEDLO C=CCCn1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nn1 ZINC000424676712 485268673 /nfs/dbraw/zinc/26/86/73/485268673.db2.gz PHRSAILUNRQRQU-AWEZNQCLSA-N 1 2 362.434 -0.483 20 30 FBEDLO C=CCCn1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nn1 ZINC000424676713 485268268 /nfs/dbraw/zinc/26/82/68/485268268.db2.gz PHRSAILUNRQRQU-CQSZACIVSA-N 1 2 362.434 -0.483 20 30 FBEDLO C=CCn1cc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nn1 ZINC000424909417 484026806 /nfs/dbraw/zinc/02/68/06/484026806.db2.gz UBCRVFJSFNZLNP-AWEZNQCLSA-N 1 2 362.434 -0.739 20 30 FBEDLO C=CCn1cc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nn1 ZINC000424909419 484026977 /nfs/dbraw/zinc/02/69/77/484026977.db2.gz UBCRVFJSFNZLNP-CQSZACIVSA-N 1 2 362.434 -0.739 20 30 FBEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000424933165 484026605 /nfs/dbraw/zinc/02/66/05/484026605.db2.gz PPMFVZBCYVBAIT-JYJNAYRXSA-N 1 2 351.447 -0.126 20 30 FBEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000424933169 484026346 /nfs/dbraw/zinc/02/63/46/484026346.db2.gz PPMFVZBCYVBAIT-XHSDSOJGSA-N 1 2 351.447 -0.126 20 30 FBEDLO Cc1cc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(C#N)c[nH+]1 ZINC000425210975 484768922 /nfs/dbraw/zinc/76/89/22/484768922.db2.gz SJUSSVDPLFOGMH-UHFFFAOYSA-N 1 2 351.432 -0.039 20 30 FBEDLO Cc1cc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C#N)cn1 ZINC000425212398 484769020 /nfs/dbraw/zinc/76/90/20/484769020.db2.gz ZZPLTIGSGYHAIW-UHFFFAOYSA-N 1 2 364.475 -0.124 20 30 FBEDLO C=CCn1cc(CNc2nc(C)[nH+]c(NCc3cn(CC=C)nn3)n2)nn1 ZINC000425262645 484669137 /nfs/dbraw/zinc/66/91/37/484669137.db2.gz IFFGBEAKDGJVIL-UHFFFAOYSA-N 1 2 367.421 -0.197 20 30 FBEDLO C=CCN1C(=O)c2ccc(C(=O)N[C@H](CO)C[NH+]3CCOCC3)cc2C1=O ZINC000425282996 485321172 /nfs/dbraw/zinc/32/11/72/485321172.db2.gz BBECVFMIROUSSF-AWEZNQCLSA-N 1 2 373.409 -0.109 20 30 FBEDLO C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CO)C[NH+]3CCOCC3)cc2C1=O ZINC000425282998 485321028 /nfs/dbraw/zinc/32/10/28/485321028.db2.gz BBECVFMIROUSSF-CQSZACIVSA-N 1 2 373.409 -0.109 20 30 FBEDLO C=CCn1cc(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)nn1 ZINC000425417138 484015255 /nfs/dbraw/zinc/01/52/55/484015255.db2.gz LFPJIFCLDBVQIN-UHFFFAOYSA-N 1 2 371.449 -0.125 20 30 FBEDLO C=CCn1cc(CNC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)nn1 ZINC000425561764 484072883 /nfs/dbraw/zinc/07/28/83/484072883.db2.gz CTRBQOSKHOXKHM-CYBMUJFWSA-N 1 2 361.450 -0.042 20 30 FBEDLO C=CCn1cc(CNC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)nn1 ZINC000425561767 484073323 /nfs/dbraw/zinc/07/33/23/484073323.db2.gz CTRBQOSKHOXKHM-ZDUSSCGKSA-N 1 2 361.450 -0.042 20 30 FBEDLO C=CCn1cc(CNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)nn1 ZINC000425569828 484077505 /nfs/dbraw/zinc/07/75/05/484077505.db2.gz ZXAFKWOFSNVLIX-UHFFFAOYSA-N 1 2 361.450 -0.086 20 30 FBEDLO C=CCn1cc(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)nn1 ZINC000425659137 484079632 /nfs/dbraw/zinc/07/96/32/484079632.db2.gz VIMGSJOQCOKLLT-UHFFFAOYSA-N 1 2 360.422 0.315 20 30 FBEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000425890659 485329568 /nfs/dbraw/zinc/32/95/68/485329568.db2.gz IBLGVUBDEZSTEH-HOCLYGCPSA-N 1 2 369.462 -0.501 20 30 FBEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000425898662 485330607 /nfs/dbraw/zinc/33/06/07/485330607.db2.gz MKHBASMUUXBZIL-ILXRZTDVSA-N 1 2 367.446 -0.211 20 30 FBEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000425898662 485330605 /nfs/dbraw/zinc/33/06/05/485330605.db2.gz MKHBASMUUXBZIL-ILXRZTDVSA-N 1 2 367.446 -0.211 20 30 FBEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000425898663 485330034 /nfs/dbraw/zinc/33/00/34/485330034.db2.gz MKHBASMUUXBZIL-KKUMJFAQSA-N 1 2 367.446 -0.211 20 30 FBEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000425898663 485330030 /nfs/dbraw/zinc/33/00/30/485330030.db2.gz MKHBASMUUXBZIL-KKUMJFAQSA-N 1 2 367.446 -0.211 20 30 FBEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000425910023 485332468 /nfs/dbraw/zinc/33/24/68/485332468.db2.gz SKJNEALJPMLMOE-GJZGRUSLSA-N 1 2 361.446 -0.228 20 30 FBEDLO N#Cc1ncn(CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000426408477 484779500 /nfs/dbraw/zinc/77/95/00/484779500.db2.gz CVSVMDAHHXDCMB-UHFFFAOYSA-N 1 2 368.401 -0.600 20 30 FBEDLO N#CCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000426429953 658925893 /nfs/dbraw/zinc/92/58/93/658925893.db2.gz LHYFTQCXAPEXLC-UHFFFAOYSA-N 1 2 366.447 -0.254 20 30 FBEDLO C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC[N@H+]1CCO ZINC000427403239 484489902 /nfs/dbraw/zinc/48/99/02/484489902.db2.gz FXGVOAHAYOTTEK-GFCCVEGCSA-N 1 2 362.434 -0.027 20 30 FBEDLO C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC[N@@H+]1CCO ZINC000427403239 484489897 /nfs/dbraw/zinc/48/98/97/484489897.db2.gz FXGVOAHAYOTTEK-GFCCVEGCSA-N 1 2 362.434 -0.027 20 30 FBEDLO C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC[N@H+]1CCO ZINC000427403240 484153404 /nfs/dbraw/zinc/15/34/04/484153404.db2.gz FXGVOAHAYOTTEK-LBPRGKRZSA-N 1 2 362.434 -0.027 20 30 FBEDLO C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC[N@@H+]1CCO ZINC000427403240 484153397 /nfs/dbraw/zinc/15/33/97/484153397.db2.gz FXGVOAHAYOTTEK-LBPRGKRZSA-N 1 2 362.434 -0.027 20 30 FBEDLO CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CCO1 ZINC000427888150 484451067 /nfs/dbraw/zinc/45/10/67/484451067.db2.gz VXZZVAJTXBZANE-AWEZNQCLSA-N 1 2 362.434 0.271 20 30 FBEDLO CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CCO1 ZINC000427888150 484451063 /nfs/dbraw/zinc/45/10/63/484451063.db2.gz VXZZVAJTXBZANE-AWEZNQCLSA-N 1 2 362.434 0.271 20 30 FBEDLO CC[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CCO1 ZINC000427888160 484443583 /nfs/dbraw/zinc/44/35/83/484443583.db2.gz VXZZVAJTXBZANE-CQSZACIVSA-N 1 2 362.434 0.271 20 30 FBEDLO CC[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CCO1 ZINC000427888160 484443575 /nfs/dbraw/zinc/44/35/75/484443575.db2.gz VXZZVAJTXBZANE-CQSZACIVSA-N 1 2 362.434 0.271 20 30 FBEDLO CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CCO1 ZINC000427888360 484450646 /nfs/dbraw/zinc/45/06/46/484450646.db2.gz WTGLJGVZCCQPAD-AWEZNQCLSA-N 1 2 362.434 0.501 20 30 FBEDLO CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CCO1 ZINC000427888360 484450643 /nfs/dbraw/zinc/45/06/43/484450643.db2.gz WTGLJGVZCCQPAD-AWEZNQCLSA-N 1 2 362.434 0.501 20 30 FBEDLO CC[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CCO1 ZINC000427888365 484443606 /nfs/dbraw/zinc/44/36/06/484443606.db2.gz WTGLJGVZCCQPAD-CQSZACIVSA-N 1 2 362.434 0.501 20 30 FBEDLO CC[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CCO1 ZINC000427888365 484443598 /nfs/dbraw/zinc/44/35/98/484443598.db2.gz WTGLJGVZCCQPAD-CQSZACIVSA-N 1 2 362.434 0.501 20 30 FBEDLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2cccnc2C#N)CC1 ZINC000428244041 484792562 /nfs/dbraw/zinc/79/25/62/484792562.db2.gz YKDCHXWBMHKGGR-UHFFFAOYSA-N 1 2 351.432 -0.216 20 30 FBEDLO CN(C)S(=O)(=O)n1ccnc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000428468797 485342262 /nfs/dbraw/zinc/34/22/62/485342262.db2.gz PZTDUXJZWCNUIK-UHFFFAOYSA-N 1 2 370.479 -0.415 20 30 FBEDLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)o3)CC2)CC1 ZINC000429864117 484814556 /nfs/dbraw/zinc/81/45/56/484814556.db2.gz UZAALZDBJOAAQJ-UHFFFAOYSA-N 1 2 367.431 -0.599 20 30 FBEDLO N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000430227485 484128846 /nfs/dbraw/zinc/12/88/46/484128846.db2.gz PPMQPJUAYANROK-AWEZNQCLSA-N 1 2 360.418 0.058 20 30 FBEDLO N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000430227488 484129515 /nfs/dbraw/zinc/12/95/15/484129515.db2.gz PPMQPJUAYANROK-CQSZACIVSA-N 1 2 360.418 0.058 20 30 FBEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000430396551 485366550 /nfs/dbraw/zinc/36/65/50/485366550.db2.gz UCDGZRBHDZYRGH-JYJNAYRXSA-N 1 2 369.462 -0.765 20 30 FBEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000430396552 485366454 /nfs/dbraw/zinc/36/64/54/485366454.db2.gz UCDGZRBHDZYRGH-OAGGEKHMSA-N 1 2 369.462 -0.765 20 30 FBEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000430396553 485366152 /nfs/dbraw/zinc/36/61/52/485366152.db2.gz UCDGZRBHDZYRGH-PMPSAXMXSA-N 1 2 369.462 -0.765 20 30 FBEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000430396554 485366375 /nfs/dbraw/zinc/36/63/75/485366375.db2.gz UCDGZRBHDZYRGH-XHSDSOJGSA-N 1 2 369.462 -0.765 20 30 FBEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC000431997401 483942778 /nfs/dbraw/zinc/94/27/78/483942778.db2.gz GTKJHPSAUSIKDY-CYBMUJFWSA-N 1 2 359.386 -0.084 20 30 FBEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC000431997402 483942351 /nfs/dbraw/zinc/94/23/51/483942351.db2.gz GTKJHPSAUSIKDY-ZDUSSCGKSA-N 1 2 359.386 -0.084 20 30 FBEDLO N#Cc1cnc(C(=O)NCC(=O)NCC[NH+]2CCOCC2)c(Cl)c1 ZINC000432494228 483666646 /nfs/dbraw/zinc/66/66/46/483666646.db2.gz MIUPKNOIFYLKCR-UHFFFAOYSA-N 1 2 351.794 -0.215 20 30 FBEDLO C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000433000654 483967668 /nfs/dbraw/zinc/96/76/68/483967668.db2.gz XHLKQMAXOGGNJA-GFCCVEGCSA-N 1 2 374.401 -0.408 20 30 FBEDLO C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000433000655 483967624 /nfs/dbraw/zinc/96/76/24/483967624.db2.gz XHLKQMAXOGGNJA-LBPRGKRZSA-N 1 2 374.401 -0.408 20 30 FBEDLO C=CCNC(=O)CN1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000434459815 484009542 /nfs/dbraw/zinc/00/95/42/484009542.db2.gz PAZDELPEIFVPCQ-UHFFFAOYSA-N 1 2 365.478 -0.519 20 30 FBEDLO C[C@@]1(CCCC(=O)N(CCC#N)CC[NH+]2CCOCC2)NC(=O)NC1=O ZINC000434912107 484036169 /nfs/dbraw/zinc/03/61/69/484036169.db2.gz BMJZVEWTFYUJNO-KRWDZBQOSA-N 1 2 365.434 -0.171 20 30 FBEDLO C[C@]1(CCCC(=O)N(CCC#N)CC[NH+]2CCOCC2)NC(=O)NC1=O ZINC000434912108 484036003 /nfs/dbraw/zinc/03/60/03/484036003.db2.gz BMJZVEWTFYUJNO-QGZVFWFLSA-N 1 2 365.434 -0.171 20 30 FBEDLO Cc1cc(NC(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)nn1CCC#N ZINC000435255027 484236814 /nfs/dbraw/zinc/23/68/14/484236814.db2.gz DXDUERLWZWLWDY-AWEZNQCLSA-N 1 2 362.434 0.223 20 30 FBEDLO Cc1cc(NC(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)nn1CCC#N ZINC000435255028 484236890 /nfs/dbraw/zinc/23/68/90/484236890.db2.gz DXDUERLWZWLWDY-CQSZACIVSA-N 1 2 362.434 0.223 20 30 FBEDLO CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)n1 ZINC000435256549 484241439 /nfs/dbraw/zinc/24/14/39/484241439.db2.gz PFTVDVSAJAMVGE-CYBMUJFWSA-N 1 2 362.434 0.453 20 30 FBEDLO CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000435256550 484241414 /nfs/dbraw/zinc/24/14/14/484241414.db2.gz PFTVDVSAJAMVGE-ZDUSSCGKSA-N 1 2 362.434 0.453 20 30 FBEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCO[C@H](C#N)C2)CC1 ZINC000436133382 484073100 /nfs/dbraw/zinc/07/31/00/484073100.db2.gz TVBJMZDVVQBLJR-CYBMUJFWSA-N 1 2 370.417 -0.764 20 30 FBEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCO[C@@H](C#N)C2)CC1 ZINC000436133861 484072881 /nfs/dbraw/zinc/07/28/81/484072881.db2.gz TVBJMZDVVQBLJR-ZDUSSCGKSA-N 1 2 370.417 -0.764 20 30 FBEDLO CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000437388005 484343878 /nfs/dbraw/zinc/34/38/78/484343878.db2.gz IYXFBBZFWJUBSV-AWEZNQCLSA-N 1 2 362.434 0.162 20 30 FBEDLO CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000437388006 484343049 /nfs/dbraw/zinc/34/30/49/484343049.db2.gz IYXFBBZFWJUBSV-CQSZACIVSA-N 1 2 362.434 0.162 20 30 FBEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCN1CCCS1(=O)=O ZINC000438513843 483896122 /nfs/dbraw/zinc/89/61/22/483896122.db2.gz PQQPTGHCXLZXCX-CYBMUJFWSA-N 1 2 350.448 -0.106 20 30 FBEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCN1CCCS1(=O)=O ZINC000438513843 483896121 /nfs/dbraw/zinc/89/61/21/483896121.db2.gz PQQPTGHCXLZXCX-CYBMUJFWSA-N 1 2 350.448 -0.106 20 30 FBEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCN1CCCS1(=O)=O ZINC000438513846 483896032 /nfs/dbraw/zinc/89/60/32/483896032.db2.gz PQQPTGHCXLZXCX-ZDUSSCGKSA-N 1 2 350.448 -0.106 20 30 FBEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCN1CCCS1(=O)=O ZINC000438513846 483896030 /nfs/dbraw/zinc/89/60/30/483896030.db2.gz PQQPTGHCXLZXCX-ZDUSSCGKSA-N 1 2 350.448 -0.106 20 30 FBEDLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000439015991 484117580 /nfs/dbraw/zinc/11/75/80/484117580.db2.gz VWTTZZDRMZBHMZ-UHFFFAOYSA-N 1 2 356.452 -0.839 20 30 FBEDLO N#CCCN(CC1CC1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000439339236 484128240 /nfs/dbraw/zinc/12/82/40/484128240.db2.gz HQSUFXPAZAGGFV-UHFFFAOYSA-N 1 2 374.445 0.306 20 30 FBEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000440275841 484426204 /nfs/dbraw/zinc/42/62/04/484426204.db2.gz YEVMASODBMFJPC-CYBMUJFWSA-N 1 2 367.413 0.548 20 30 FBEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000440275841 484426199 /nfs/dbraw/zinc/42/61/99/484426199.db2.gz YEVMASODBMFJPC-CYBMUJFWSA-N 1 2 367.413 0.548 20 30 FBEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000440275842 484426182 /nfs/dbraw/zinc/42/61/82/484426182.db2.gz YEVMASODBMFJPC-ZDUSSCGKSA-N 1 2 367.413 0.548 20 30 FBEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000440275842 484426174 /nfs/dbraw/zinc/42/61/74/484426174.db2.gz YEVMASODBMFJPC-ZDUSSCGKSA-N 1 2 367.413 0.548 20 30 FBEDLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000440289720 484060107 /nfs/dbraw/zinc/06/01/07/484060107.db2.gz GTGKMSPIWAICGA-CYBMUJFWSA-N 1 2 367.413 0.299 20 30 FBEDLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000440289720 484060101 /nfs/dbraw/zinc/06/01/01/484060101.db2.gz GTGKMSPIWAICGA-CYBMUJFWSA-N 1 2 367.413 0.299 20 30 FBEDLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000440289721 484162959 /nfs/dbraw/zinc/16/29/59/484162959.db2.gz GTGKMSPIWAICGA-ZDUSSCGKSA-N 1 2 367.413 0.299 20 30 FBEDLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000440289721 484162948 /nfs/dbraw/zinc/16/29/48/484162948.db2.gz GTGKMSPIWAICGA-ZDUSSCGKSA-N 1 2 367.413 0.299 20 30 FBEDLO CC#CCNC(=O)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000440598827 484168411 /nfs/dbraw/zinc/16/84/11/484168411.db2.gz NMJFKUDIAANKAP-UHFFFAOYSA-N 1 2 372.425 -0.173 20 30 FBEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000440994501 483906057 /nfs/dbraw/zinc/90/60/57/483906057.db2.gz UHGPYYBRXXCGCX-HNNXBMFYSA-N 1 2 360.414 -0.043 20 30 FBEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000440994502 483905665 /nfs/dbraw/zinc/90/56/65/483905665.db2.gz UHGPYYBRXXCGCX-OAHLLOKOSA-N 1 2 360.414 -0.043 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000441038011 484182587 /nfs/dbraw/zinc/18/25/87/484182587.db2.gz IEBQDAWIZVZGJV-GFCCVEGCSA-N 1 2 358.406 -0.353 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000441038011 484182580 /nfs/dbraw/zinc/18/25/80/484182580.db2.gz IEBQDAWIZVZGJV-GFCCVEGCSA-N 1 2 358.406 -0.353 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000441038014 484183549 /nfs/dbraw/zinc/18/35/49/484183549.db2.gz IEBQDAWIZVZGJV-LBPRGKRZSA-N 1 2 358.406 -0.353 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000441038014 484183544 /nfs/dbraw/zinc/18/35/44/484183544.db2.gz IEBQDAWIZVZGJV-LBPRGKRZSA-N 1 2 358.406 -0.353 20 30 FBEDLO C[C@@H](C#N)CN(C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1CC1 ZINC000441895031 484472202 /nfs/dbraw/zinc/47/22/02/484472202.db2.gz GKGAKNMCFGIYJI-AWEZNQCLSA-N 1 2 374.445 0.304 20 30 FBEDLO C[C@H](C#N)CN(C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1CC1 ZINC000441895032 484109413 /nfs/dbraw/zinc/10/94/13/484109413.db2.gz GKGAKNMCFGIYJI-CQSZACIVSA-N 1 2 374.445 0.304 20 30 FBEDLO N#Cc1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1O ZINC000442976279 483970861 /nfs/dbraw/zinc/97/08/61/483970861.db2.gz STUYRVTYXBRJJO-HNNXBMFYSA-N 1 2 358.398 -0.073 20 30 FBEDLO N#Cc1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1O ZINC000442976280 483971664 /nfs/dbraw/zinc/97/16/64/483971664.db2.gz STUYRVTYXBRJJO-OAHLLOKOSA-N 1 2 358.398 -0.073 20 30 FBEDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443076437 483979220 /nfs/dbraw/zinc/97/92/20/483979220.db2.gz KNJSXFQUQFZQPV-LLVKDONJSA-N 1 2 353.404 -0.009 20 30 FBEDLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443076437 483979212 /nfs/dbraw/zinc/97/92/12/483979212.db2.gz KNJSXFQUQFZQPV-LLVKDONJSA-N 1 2 353.404 -0.009 20 30 FBEDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443076439 483979686 /nfs/dbraw/zinc/97/96/86/483979686.db2.gz KNJSXFQUQFZQPV-NSHDSACASA-N 1 2 353.404 -0.009 20 30 FBEDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443076439 483979680 /nfs/dbraw/zinc/97/96/80/483979680.db2.gz KNJSXFQUQFZQPV-NSHDSACASA-N 1 2 353.404 -0.009 20 30 FBEDLO C=CCNC(=O)C[NH+]1CCN(Cc2nnnn2CC2CCOCC2)CC1 ZINC000444582645 484294115 /nfs/dbraw/zinc/29/41/15/484294115.db2.gz KLNRMJKAAPTNRI-UHFFFAOYSA-N 1 2 363.466 -0.481 20 30 FBEDLO CC(C)[C@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)[NH+]1CCOCC1 ZINC000444592626 484226242 /nfs/dbraw/zinc/22/62/42/484226242.db2.gz FVTQFIRCFOAVQY-AWEZNQCLSA-N 1 2 362.434 0.208 20 30 FBEDLO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)[NH+]1CCOCC1 ZINC000444592627 484220945 /nfs/dbraw/zinc/22/09/45/484220945.db2.gz FVTQFIRCFOAVQY-CQSZACIVSA-N 1 2 362.434 0.208 20 30 FBEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000444719071 484189591 /nfs/dbraw/zinc/18/95/91/484189591.db2.gz QGJYRHSJJWMXCG-GASCZTMLSA-N 1 2 350.419 -0.011 20 30 FBEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000444719071 484189585 /nfs/dbraw/zinc/18/95/85/484189585.db2.gz QGJYRHSJJWMXCG-GASCZTMLSA-N 1 2 350.419 -0.011 20 30 FBEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000444719072 484189166 /nfs/dbraw/zinc/18/91/66/484189166.db2.gz QGJYRHSJJWMXCG-GJZGRUSLSA-N 1 2 350.419 -0.011 20 30 FBEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000444719073 484162302 /nfs/dbraw/zinc/16/23/02/484162302.db2.gz QGJYRHSJJWMXCG-HUUCEWRRSA-N 1 2 350.419 -0.011 20 30 FBEDLO Cc1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1S(=O)(=O)NCC#N ZINC000445513922 484305355 /nfs/dbraw/zinc/30/53/55/484305355.db2.gz NPPLEEWLYQLKOX-UHFFFAOYSA-N 1 2 366.443 -0.453 20 30 FBEDLO C=C(C)COCCNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446798851 484043678 /nfs/dbraw/zinc/04/36/78/484043678.db2.gz GRNBWRGQBATHFH-UHFFFAOYSA-N 1 2 365.434 -0.137 20 30 FBEDLO C=C(C)COCCNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000446799057 484328339 /nfs/dbraw/zinc/32/83/39/484328339.db2.gz JLJPVJQGHJFKOV-UHFFFAOYSA-N 1 2 365.434 -0.137 20 30 FBEDLO C=CCCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000448036599 483873037 /nfs/dbraw/zinc/87/30/37/483873037.db2.gz ZHLWAFSACXXIMN-UHFFFAOYSA-N 1 2 359.496 -0.228 20 30 FBEDLO C[C@H]1C[C@]1(C#N)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000448678336 484232779 /nfs/dbraw/zinc/23/27/79/484232779.db2.gz UUAQUNFWFVSRSI-DZGCQCFKSA-N 1 2 355.464 -0.827 20 30 FBEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000448678337 484233101 /nfs/dbraw/zinc/23/31/01/484233101.db2.gz UUAQUNFWFVSRSI-HIFRSBDPSA-N 1 2 355.464 -0.827 20 30 FBEDLO C[C@@H]1C[C@]1(C#N)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000448678338 484232730 /nfs/dbraw/zinc/23/27/30/484232730.db2.gz UUAQUNFWFVSRSI-UKRRQHHQSA-N 1 2 355.464 -0.827 20 30 FBEDLO C[C@H]1C[C@@]1(C#N)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000448678339 484232837 /nfs/dbraw/zinc/23/28/37/484232837.db2.gz UUAQUNFWFVSRSI-ZFWWWQNUSA-N 1 2 355.464 -0.827 20 30 FBEDLO Cn1c(=O)c(C#N)c(N(CC[NH+]2CCOCC2)Cc2ccco2)n(C)c1=O ZINC000450943428 483845137 /nfs/dbraw/zinc/84/51/37/483845137.db2.gz SOHKTWIJSOKYIJ-UHFFFAOYSA-N 1 2 373.413 -0.113 20 30 FBEDLO C=C(C)CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000455303355 484428392 /nfs/dbraw/zinc/42/83/92/484428392.db2.gz ARKKSPKUEVMGNY-UHFFFAOYSA-N 1 2 359.496 -0.228 20 30 FBEDLO C=C(CC)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000455528117 484429550 /nfs/dbraw/zinc/42/95/50/484429550.db2.gz WTHQKCFISRIWCQ-UHFFFAOYSA-N 1 2 359.496 -0.228 20 30 FBEDLO Cc1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ncc1C#N ZINC000457587486 483904668 /nfs/dbraw/zinc/90/46/68/483904668.db2.gz ZRXAWYRVPSENAG-HNNXBMFYSA-N 1 2 357.414 -0.075 20 30 FBEDLO Cc1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ncc1C#N ZINC000457587505 483904604 /nfs/dbraw/zinc/90/46/04/483904604.db2.gz ZRXAWYRVPSENAG-OAHLLOKOSA-N 1 2 357.414 -0.075 20 30 FBEDLO N#Cc1cccc([N+](=O)[O-])c1CN1CC[NH+](CCS(N)(=O)=O)CC1 ZINC000459387916 485285801 /nfs/dbraw/zinc/28/58/01/485285801.db2.gz LHHSUOBRQXWNNC-UHFFFAOYSA-N 1 2 353.404 -0.127 20 30 FBEDLO CC[NH+]1CCN(C(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 ZINC000459803467 483965910 /nfs/dbraw/zinc/96/59/10/483965910.db2.gz BUSCGEYSRQWDIQ-UHFFFAOYSA-N 1 2 373.461 -0.587 20 30 FBEDLO CC[NH+]1CCN(C(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 ZINC000459813600 483965973 /nfs/dbraw/zinc/96/59/73/483965973.db2.gz LNTUFEKHOZBECF-UHFFFAOYSA-N 1 2 356.430 -0.234 20 30 FBEDLO N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000459888462 483972736 /nfs/dbraw/zinc/97/27/36/483972736.db2.gz SFVQVWBUHHUWEZ-UHFFFAOYSA-N 1 2 368.441 -0.092 20 30 FBEDLO N#Cc1cccc(N2CCN(C(=O)C(=O)N3CC[NH+](C4CC4)CC3)CC2)n1 ZINC000459928917 483973939 /nfs/dbraw/zinc/97/39/39/483973939.db2.gz DNNFFUORNKWOOG-UHFFFAOYSA-N 1 2 368.441 -0.092 20 30 FBEDLO CC[NH+]1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 ZINC000460604405 484350745 /nfs/dbraw/zinc/35/07/45/484350745.db2.gz GZEJYRKMIGTKJL-UHFFFAOYSA-N 1 2 367.413 0.550 20 30 FBEDLO N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cn1 ZINC000460711619 483437937 /nfs/dbraw/zinc/43/79/37/483437937.db2.gz YMGUBTBKDDMHBO-UHFFFAOYSA-N 1 2 369.385 -0.786 20 30 FBEDLO Cc1nnc(CN(C)CC(=O)N(CCC#N)CC[NH+]2CCOCC2)n1C ZINC000461976338 484564337 /nfs/dbraw/zinc/56/43/37/484564337.db2.gz CLPJTVXARLZSFH-UHFFFAOYSA-N 1 2 363.466 -0.370 20 30 FBEDLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000463192020 484824074 /nfs/dbraw/zinc/82/40/74/484824074.db2.gz KHIOWLPSZYMGPA-UHFFFAOYSA-N 1 2 365.459 -0.307 20 30 FBEDLO CNS(=O)(=O)NC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000463221493 483568856 /nfs/dbraw/zinc/56/88/56/483568856.db2.gz SPGIBEJLFYAEAO-AWEZNQCLSA-N 1 2 351.432 -0.397 20 30 FBEDLO CNS(=O)(=O)NC1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000463221501 483571047 /nfs/dbraw/zinc/57/10/47/483571047.db2.gz SPGIBEJLFYAEAO-CQSZACIVSA-N 1 2 351.432 -0.397 20 30 FBEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cn(CC(N)=O)nn3)CC2)cc1 ZINC000463278184 484823909 /nfs/dbraw/zinc/82/39/09/484823909.db2.gz FYPZIYDGKSUQDA-UHFFFAOYSA-N 1 2 353.386 -0.407 20 30 FBEDLO N#CCCN(CCN1CCOCC1)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000463415793 484591795 /nfs/dbraw/zinc/59/17/95/484591795.db2.gz QNBVCIYPEVFDAG-UHFFFAOYSA-N 1 2 374.507 -0.414 20 30 FBEDLO COc1cc(C#N)ccc1S(=O)(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000464420554 484832104 /nfs/dbraw/zinc/83/21/04/484832104.db2.gz IOAQLMZFFLKGPG-INIZCTEOSA-N 1 2 369.443 -0.072 20 30 FBEDLO COc1cc(C#N)ccc1S(=O)(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000464420555 484428128 /nfs/dbraw/zinc/42/81/28/484428128.db2.gz IOAQLMZFFLKGPG-MRXNPFEDSA-N 1 2 369.443 -0.072 20 30 FBEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000464863565 484834243 /nfs/dbraw/zinc/83/42/43/484834243.db2.gz VNAJWZHXHAWKEF-KBPBESRZSA-N 1 2 371.445 -0.417 20 30 FBEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000464863565 484834240 /nfs/dbraw/zinc/83/42/40/484834240.db2.gz VNAJWZHXHAWKEF-KBPBESRZSA-N 1 2 371.445 -0.417 20 30 FBEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000464863566 484833859 /nfs/dbraw/zinc/83/38/59/484833859.db2.gz VNAJWZHXHAWKEF-KGLIPLIRSA-N 1 2 371.445 -0.417 20 30 FBEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000464863566 484833853 /nfs/dbraw/zinc/83/38/53/484833853.db2.gz VNAJWZHXHAWKEF-KGLIPLIRSA-N 1 2 371.445 -0.417 20 30 FBEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000464863567 484833810 /nfs/dbraw/zinc/83/38/10/484833810.db2.gz VNAJWZHXHAWKEF-UONOGXRCSA-N 1 2 371.445 -0.417 20 30 FBEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000464863567 484833805 /nfs/dbraw/zinc/83/38/05/484833805.db2.gz VNAJWZHXHAWKEF-UONOGXRCSA-N 1 2 371.445 -0.417 20 30 FBEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000464863568 484834035 /nfs/dbraw/zinc/83/40/35/484834035.db2.gz VNAJWZHXHAWKEF-ZIAGYGMSSA-N 1 2 371.445 -0.417 20 30 FBEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000464863568 484834030 /nfs/dbraw/zinc/83/40/30/484834030.db2.gz VNAJWZHXHAWKEF-ZIAGYGMSSA-N 1 2 371.445 -0.417 20 30 FBEDLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)NCCc2cccc(C#N)c2)CCO1 ZINC000466819161 484842941 /nfs/dbraw/zinc/84/29/41/484842941.db2.gz JQAWSYOMFWSKQL-INIZCTEOSA-N 1 2 359.430 -0.072 20 30 FBEDLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)NCCc2cccc(C#N)c2)CCO1 ZINC000466819161 484842936 /nfs/dbraw/zinc/84/29/36/484842936.db2.gz JQAWSYOMFWSKQL-INIZCTEOSA-N 1 2 359.430 -0.072 20 30 FBEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCCc2cccc(C#N)c2)CCO1 ZINC000466819162 484842282 /nfs/dbraw/zinc/84/22/82/484842282.db2.gz JQAWSYOMFWSKQL-MRXNPFEDSA-N 1 2 359.430 -0.072 20 30 FBEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCCc2cccc(C#N)c2)CCO1 ZINC000466819162 484842277 /nfs/dbraw/zinc/84/22/77/484842277.db2.gz JQAWSYOMFWSKQL-MRXNPFEDSA-N 1 2 359.430 -0.072 20 30 FBEDLO C[C@H](C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)n1cnc(C#N)n1 ZINC000466978211 484842333 /nfs/dbraw/zinc/84/23/33/484842333.db2.gz DPKFBOFOARGWIP-LLVKDONJSA-N 1 2 366.389 -0.264 20 30 FBEDLO C[C@@H](C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)n1cnc(C#N)n1 ZINC000466978212 484842779 /nfs/dbraw/zinc/84/27/79/484842779.db2.gz DPKFBOFOARGWIP-NSHDSACASA-N 1 2 366.389 -0.264 20 30 FBEDLO Cn1ccnc(N2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)c1=O ZINC000467158930 484648021 /nfs/dbraw/zinc/64/80/21/484648021.db2.gz FQEHSVLQRSXMRM-UHFFFAOYSA-N 1 2 357.418 -0.442 20 30 FBEDLO CC(=O)N[C@@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(N)=O ZINC000468030164 484846850 /nfs/dbraw/zinc/84/68/50/484846850.db2.gz OCDYXRKFKMDGQH-INIZCTEOSA-N 1 2 357.414 -0.417 20 30 FBEDLO C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000468962978 484699015 /nfs/dbraw/zinc/69/90/15/484699015.db2.gz LKHOKAHQZBVHCK-HNNXBMFYSA-N 1 2 363.462 -0.586 20 30 FBEDLO C[C@H](C(=O)NC1(C#N)CCC1)N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000468963197 484699027 /nfs/dbraw/zinc/69/90/27/484699027.db2.gz LKHOKAHQZBVHCK-OAHLLOKOSA-N 1 2 363.462 -0.586 20 30 FBEDLO Cn1cc(S(N)(=O)=O)cc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000469633405 484716000 /nfs/dbraw/zinc/71/60/00/484716000.db2.gz NWNFRHQXNAFYLE-UHFFFAOYSA-N 1 2 369.447 -0.639 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@H](CO)O[C@@H](C)C3)CC2)o1 ZINC000469984978 484855442 /nfs/dbraw/zinc/85/54/42/484855442.db2.gz XCAODFFIRRGEIV-GXTWGEPZSA-N 1 2 363.418 -0.415 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@H](CO)O[C@@H](C)C3)CC2)o1 ZINC000469984978 484855437 /nfs/dbraw/zinc/85/54/37/484855437.db2.gz XCAODFFIRRGEIV-GXTWGEPZSA-N 1 2 363.418 -0.415 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@H](C)O[C@H](CO)C3)CC2)o1 ZINC000469984994 484855493 /nfs/dbraw/zinc/85/54/93/484855493.db2.gz XCAODFFIRRGEIV-JSGCOSHPSA-N 1 2 363.418 -0.415 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@H](C)O[C@H](CO)C3)CC2)o1 ZINC000469984994 484855486 /nfs/dbraw/zinc/85/54/86/484855486.db2.gz XCAODFFIRRGEIV-JSGCOSHPSA-N 1 2 363.418 -0.415 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@@H](C)O[C@H](CO)C3)CC2)o1 ZINC000469984997 484855334 /nfs/dbraw/zinc/85/53/34/484855334.db2.gz XCAODFFIRRGEIV-OCCSQVGLSA-N 1 2 363.418 -0.415 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@@H](C)O[C@H](CO)C3)CC2)o1 ZINC000469984997 484855328 /nfs/dbraw/zinc/85/53/28/484855328.db2.gz XCAODFFIRRGEIV-OCCSQVGLSA-N 1 2 363.418 -0.415 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@@H](C)O[C@@H](CO)C3)CC2)o1 ZINC000469985001 484855867 /nfs/dbraw/zinc/85/58/67/484855867.db2.gz XCAODFFIRRGEIV-TZMCWYRMSA-N 1 2 363.418 -0.415 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@@H](C)O[C@@H](CO)C3)CC2)o1 ZINC000469985001 484855856 /nfs/dbraw/zinc/85/58/56/484855856.db2.gz XCAODFFIRRGEIV-TZMCWYRMSA-N 1 2 363.418 -0.415 20 30 FBEDLO C=CCN1C(=O)C(=O)N(CC(=O)NCC[N@H+]2CCO[C@H](CC)C2)C1=O ZINC000470438542 484738249 /nfs/dbraw/zinc/73/82/49/484738249.db2.gz OZKLJOAPXZBJAW-GFCCVEGCSA-N 1 2 352.391 -0.810 20 30 FBEDLO C=CCN1C(=O)C(=O)N(CC(=O)NCC[N@@H+]2CCO[C@H](CC)C2)C1=O ZINC000470438542 484738241 /nfs/dbraw/zinc/73/82/41/484738241.db2.gz OZKLJOAPXZBJAW-GFCCVEGCSA-N 1 2 352.391 -0.810 20 30 FBEDLO C=CCN1C(=O)C(=O)N(CC(=O)NCC[N@H+]2CCO[C@@H](CC)C2)C1=O ZINC000470438543 484738371 /nfs/dbraw/zinc/73/83/71/484738371.db2.gz OZKLJOAPXZBJAW-LBPRGKRZSA-N 1 2 352.391 -0.810 20 30 FBEDLO C=CCN1C(=O)C(=O)N(CC(=O)NCC[N@@H+]2CCO[C@@H](CC)C2)C1=O ZINC000470438543 484738365 /nfs/dbraw/zinc/73/83/65/484738365.db2.gz OZKLJOAPXZBJAW-LBPRGKRZSA-N 1 2 352.391 -0.810 20 30 FBEDLO N#CCCN(CC[NH+]1CCOCC1)CC(=O)NCC(=O)N1CCCC1 ZINC000471225038 484759328 /nfs/dbraw/zinc/75/93/28/484759328.db2.gz ZBEKMBNXMJRVOH-UHFFFAOYSA-N 1 2 351.451 -0.727 20 30 FBEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000472096086 484774038 /nfs/dbraw/zinc/77/40/38/484774038.db2.gz UGQHGNMBOKUHQM-KRWDZBQOSA-N 1 2 369.425 -0.195 20 30 FBEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000472096093 484773660 /nfs/dbraw/zinc/77/36/60/484773660.db2.gz UGQHGNMBOKUHQM-QGZVFWFLSA-N 1 2 369.425 -0.195 20 30 FBEDLO Cc1nn(C)c(N2CC[NH+](CC(=O)N3CCC[C@H](C(N)=O)C3)CC2)c1C#N ZINC000472152412 484864661 /nfs/dbraw/zinc/86/46/61/484864661.db2.gz HWXHFLDPQSDUGV-AWEZNQCLSA-N 1 2 373.461 -0.554 20 30 FBEDLO Cc1nn(C)c(N2CC[NH+](CC(=O)N3CCC[C@@H](C(N)=O)C3)CC2)c1C#N ZINC000472152679 484865398 /nfs/dbraw/zinc/86/53/98/484865398.db2.gz HWXHFLDPQSDUGV-CQSZACIVSA-N 1 2 373.461 -0.554 20 30 FBEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000472748286 484867525 /nfs/dbraw/zinc/86/75/25/484867525.db2.gz HVWILLLCNCNJPB-KRWDZBQOSA-N 1 2 354.370 -0.395 20 30 FBEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000472748286 484867516 /nfs/dbraw/zinc/86/75/16/484867516.db2.gz HVWILLLCNCNJPB-KRWDZBQOSA-N 1 2 354.370 -0.395 20 30 FBEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000472748295 484867394 /nfs/dbraw/zinc/86/73/94/484867394.db2.gz HVWILLLCNCNJPB-QGZVFWFLSA-N 1 2 354.370 -0.395 20 30 FBEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000472748295 484867387 /nfs/dbraw/zinc/86/73/87/484867387.db2.gz HVWILLLCNCNJPB-QGZVFWFLSA-N 1 2 354.370 -0.395 20 30 FBEDLO CCNC(=O)N1CCN(CC#CC[NH+]2CCN(C(=O)NCC)CC2)CC1 ZINC000472752946 484784581 /nfs/dbraw/zinc/78/45/81/484784581.db2.gz OZMYPFILEJAURA-UHFFFAOYSA-N 1 2 364.494 -0.316 20 30 FBEDLO 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C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC(C(=O)NC(CC)(CC)C(N)=O)C1 ZINC000513237076 484206357 /nfs/dbraw/zinc/20/63/57/484206357.db2.gz TUIHLSZEQRGEAF-LLVKDONJSA-N 1 2 367.450 -0.521 20 30 FBEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC(C(=O)NC(CC)(CC)C(N)=O)C1 ZINC000513237077 484205571 /nfs/dbraw/zinc/20/55/71/484205571.db2.gz TUIHLSZEQRGEAF-NSHDSACASA-N 1 2 367.450 -0.521 20 30 FBEDLO C=CCNC(=O)NC(=O)C[NH+]1CC(C(=O)NC(CC)(CC)C(N)=O)C1 ZINC000513241397 484206450 /nfs/dbraw/zinc/20/64/50/484206450.db2.gz IMOGMKBHUKUCCF-UHFFFAOYSA-N 1 2 353.423 -0.910 20 30 FBEDLO CCC(CC)(NC(=O)C1C[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)C1)C(N)=O ZINC000513260392 484205199 /nfs/dbraw/zinc/20/51/99/484205199.db2.gz HREFJSGYUIHUHC-KRWDZBQOSA-N 1 2 363.462 -0.113 20 30 FBEDLO CCC(CC)(NC(=O)C1C[NH+](CC(=O)N[C@](C)(C#N)C2CC2)C1)C(N)=O ZINC000513260393 484206588 /nfs/dbraw/zinc/20/65/88/484206588.db2.gz HREFJSGYUIHUHC-QGZVFWFLSA-N 1 2 363.462 -0.113 20 30 FBEDLO CCC(CC)(NC(=O)C1C[NH+]([C@H](C)C(=O)N(C)CCC#N)C1)C(N)=O 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N#Cc1ncn(CCNc2cc(NCCn3cnc(C#N)n3)[nH+]cn2)n1 ZINC000557718809 484182014 /nfs/dbraw/zinc/18/20/14/484182014.db2.gz NAMBJLOXAIVDIC-UHFFFAOYSA-N 1 2 350.350 -0.373 20 30 FBEDLO N#CCNC(=O)CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000557740438 483689944 /nfs/dbraw/zinc/68/99/44/483689944.db2.gz CECUKYIKPSDZMY-UHFFFAOYSA-N 1 2 358.402 -0.734 20 30 FBEDLO COC(=O)CN(CC[NH+]1CCOCC1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000558006538 483698606 /nfs/dbraw/zinc/69/86/06/483698606.db2.gz RZPFEZPSSFLNLV-KRWDZBQOSA-N 1 2 352.435 -0.398 20 30 FBEDLO COC(=O)CN(CC[NH+]1CCOCC1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000558006541 483698478 /nfs/dbraw/zinc/69/84/78/483698478.db2.gz RZPFEZPSSFLNLV-QGZVFWFLSA-N 1 2 352.435 -0.398 20 30 FBEDLO N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CCO1 ZINC000558561320 483725450 /nfs/dbraw/zinc/72/54/50/483725450.db2.gz QCKFQJGSXRDULE-ILXRZTDVSA-N 1 2 358.464 -0.311 20 30 FBEDLO N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CCO1 ZINC000558561321 483725495 /nfs/dbraw/zinc/72/54/95/483725495.db2.gz QCKFQJGSXRDULE-KFWWJZLASA-N 1 2 358.464 -0.311 20 30 FBEDLO N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CCO1 ZINC000558561322 483725371 /nfs/dbraw/zinc/72/53/71/483725371.db2.gz QCKFQJGSXRDULE-QLFBSQMISA-N 1 2 358.464 -0.311 20 30 FBEDLO N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CCO1 ZINC000558561323 483725455 /nfs/dbraw/zinc/72/54/55/483725455.db2.gz QCKFQJGSXRDULE-RBSFLKMASA-N 1 2 358.464 -0.311 20 30 FBEDLO Cn1cc[nH+]c1CN1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1 ZINC000559612540 483515860 /nfs/dbraw/zinc/51/58/60/483515860.db2.gz FVBOUBSDWYIZKG-UHFFFAOYSA-N 1 2 353.386 -0.030 20 30 FBEDLO N#Cc1cccc(S(=O)(=O)NCC(=O)NCC[NH+]2CCOCC2)c1 ZINC000559626952 483515681 /nfs/dbraw/zinc/51/56/81/483515681.db2.gz XRYMSPBGVXXEOV-UHFFFAOYSA-N 1 2 352.416 -0.715 20 30 FBEDLO N#CC1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000559854638 483857180 /nfs/dbraw/zinc/85/71/80/483857180.db2.gz JPWUBMJKLLTQRM-UHFFFAOYSA-N 1 2 371.445 -0.523 20 30 FBEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@H]3COCCO3)CC2)cc1 ZINC000560241421 483580859 /nfs/dbraw/zinc/58/08/59/483580859.db2.gz KKRSHKRAZDTUFN-KRWDZBQOSA-N 1 2 372.425 -0.266 20 30 FBEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@@H]3COCCO3)CC2)cc1 ZINC000560241422 483580272 /nfs/dbraw/zinc/58/02/72/483580272.db2.gz KKRSHKRAZDTUFN-QGZVFWFLSA-N 1 2 372.425 -0.266 20 30 FBEDLO Cn1cc[nH+]c1CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000561301284 483696389 /nfs/dbraw/zinc/69/63/89/483696389.db2.gz YHBKFVOVRYUKQD-UHFFFAOYSA-N 1 2 353.386 -0.348 20 30 FBEDLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NCC(=O)NCC#N ZINC000561470910 483907756 /nfs/dbraw/zinc/90/77/56/483907756.db2.gz SCSPSDGTEOKLTK-UHFFFAOYSA-N 1 2 352.416 -0.609 20 30 FBEDLO N#Cc1ncn(CCNC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)n1 ZINC000561568787 483914010 /nfs/dbraw/zinc/91/40/10/483914010.db2.gz CCVVLQDVHTXLLU-UHFFFAOYSA-N 1 2 374.449 -0.607 20 30 FBEDLO CN(CC[NH+]1CCOCC1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000562122987 483871222 /nfs/dbraw/zinc/87/12/22/483871222.db2.gz JFVAUYPYBUUJKY-UHFFFAOYSA-N 1 2 366.443 -0.373 20 30 FBEDLO C[NH+]1CCN(S(=O)(=O)N2CCN(c3ccncc3C#N)CC2)CC1 ZINC000562312352 483994482 /nfs/dbraw/zinc/99/44/82/483994482.db2.gz YYKDGPWXUNNBMV-UHFFFAOYSA-N 1 2 350.448 -0.433 20 30 FBEDLO N#Cc1cc(NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)ncn1 ZINC000562418435 484141848 /nfs/dbraw/zinc/14/18/48/484141848.db2.gz BOCOYDHBVTUOAV-UHFFFAOYSA-N 1 2 373.442 0.307 20 30 FBEDLO N#Cc1cncnc1NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000563037700 483427246 /nfs/dbraw/zinc/42/72/46/483427246.db2.gz FUKKJUYEOITEJK-UHFFFAOYSA-N 1 2 373.442 -0.271 20 30 FBEDLO CN1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000563137029 484385708 /nfs/dbraw/zinc/38/57/08/484385708.db2.gz SOBUUHKNEFDNTR-UHFFFAOYSA-N 1 2 369.425 -0.497 20 30 FBEDLO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000563360925 484069309 /nfs/dbraw/zinc/06/93/09/484069309.db2.gz ZEPMAMYMBGBPFT-HNNXBMFYSA-N 1 2 371.445 -0.428 20 30 FBEDLO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000563360926 484068470 /nfs/dbraw/zinc/06/84/70/484068470.db2.gz ZEPMAMYMBGBPFT-OAHLLOKOSA-N 1 2 371.445 -0.428 20 30 FBEDLO Cn1cc(NC(=O)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nn1 ZINC000563509291 484132613 /nfs/dbraw/zinc/13/26/13/484132613.db2.gz YLSXELSWGBHNMC-UHFFFAOYSA-N 1 2 353.386 -0.030 20 30 FBEDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)CC1 ZINC000563623943 484166975 /nfs/dbraw/zinc/16/69/75/484166975.db2.gz OZFGAQYZULCYOT-GFCCVEGCSA-N 1 2 359.386 -0.012 20 30 FBEDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)CC1 ZINC000563623963 484167161 /nfs/dbraw/zinc/16/71/61/484167161.db2.gz OZFGAQYZULCYOT-LBPRGKRZSA-N 1 2 359.386 -0.012 20 30 FBEDLO C[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)CC1 ZINC000564226992 484589563 /nfs/dbraw/zinc/58/95/63/484589563.db2.gz JUAPEHOATBQYRI-UHFFFAOYSA-N 1 2 352.482 -0.825 20 30 FBEDLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2cncc(C#N)c2)CC1 ZINC000564400126 484410046 /nfs/dbraw/zinc/41/00/46/484410046.db2.gz KINYSXHFKNWXLG-UHFFFAOYSA-N 1 2 351.432 -0.216 20 30 FBEDLO C[C@@H]1C[N@@H+](CCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 ZINC000564432829 484409510 /nfs/dbraw/zinc/40/95/10/484409510.db2.gz KQCSISSRQNSAOC-CYBMUJFWSA-N 1 2 366.443 -0.327 20 30 FBEDLO C[C@@H]1C[N@H+](CCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 ZINC000564432829 484409503 /nfs/dbraw/zinc/40/95/03/484409503.db2.gz KQCSISSRQNSAOC-CYBMUJFWSA-N 1 2 366.443 -0.327 20 30 FBEDLO C[C@H]1C[N@@H+](CCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 ZINC000564432830 484409395 /nfs/dbraw/zinc/40/93/95/484409395.db2.gz KQCSISSRQNSAOC-ZDUSSCGKSA-N 1 2 366.443 -0.327 20 30 FBEDLO C[C@H]1C[N@H+](CCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 ZINC000564432830 484409390 /nfs/dbraw/zinc/40/93/90/484409390.db2.gz KQCSISSRQNSAOC-ZDUSSCGKSA-N 1 2 366.443 -0.327 20 30 FBEDLO N#CCC(=O)N1CC[NH+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000564734397 485155212 /nfs/dbraw/zinc/15/52/12/485155212.db2.gz DVKLZHGXIZSIAJ-HNNXBMFYSA-N 1 2 371.397 -0.078 20 30 FBEDLO N#CCC(=O)N1CC[NH+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000564734401 485155633 /nfs/dbraw/zinc/15/56/33/485155633.db2.gz DVKLZHGXIZSIAJ-OAHLLOKOSA-N 1 2 371.397 -0.078 20 30 FBEDLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1cnc2c(C#N)cnn2c1 ZINC000564989595 484412937 /nfs/dbraw/zinc/41/29/37/484412937.db2.gz SQJFIWLZNMRNLG-UHFFFAOYSA-N 1 2 358.402 -0.092 20 30 FBEDLO CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000565227669 485172061 /nfs/dbraw/zinc/17/20/61/485172061.db2.gz CTPMJFQDPCFJRF-UHFFFAOYSA-N 1 2 372.472 -0.233 20 30 FBEDLO CC[NH+]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)NCC#N)c2)CC1 ZINC000565231706 484063582 /nfs/dbraw/zinc/06/35/82/484063582.db2.gz CMYGZTVHFCSUBM-UHFFFAOYSA-N 1 2 372.472 -0.185 20 30 FBEDLO C[NH+]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)NCC#N)c2)CC1 ZINC000565231843 485171776 /nfs/dbraw/zinc/17/17/76/485171776.db2.gz JLLCDYYOTHAYEM-UHFFFAOYSA-N 1 2 358.445 -0.575 20 30 FBEDLO CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000565246782 484415511 /nfs/dbraw/zinc/41/55/11/484415511.db2.gz SFEMADYTBBYSRZ-UHFFFAOYSA-N 1 2 353.386 -0.016 20 30 FBEDLO CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000565246782 484415504 /nfs/dbraw/zinc/41/55/04/484415504.db2.gz SFEMADYTBBYSRZ-UHFFFAOYSA-N 1 2 353.386 -0.016 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)[C@H]3CCN(C)C3=O)CC2)o1 ZINC000565790784 484418041 /nfs/dbraw/zinc/41/80/41/484418041.db2.gz VROHNLCREZDXBT-AWEZNQCLSA-N 1 2 360.418 -0.334 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)[C@H]3CCN(C)C3=O)CC2)o1 ZINC000565790784 484418035 /nfs/dbraw/zinc/41/80/35/484418035.db2.gz VROHNLCREZDXBT-AWEZNQCLSA-N 1 2 360.418 -0.334 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)[C@@H]3CCN(C)C3=O)CC2)o1 ZINC000565790785 484418334 /nfs/dbraw/zinc/41/83/34/484418334.db2.gz VROHNLCREZDXBT-CQSZACIVSA-N 1 2 360.418 -0.334 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)[C@@H]3CCN(C)C3=O)CC2)o1 ZINC000565790785 484418330 /nfs/dbraw/zinc/41/83/30/484418330.db2.gz VROHNLCREZDXBT-CQSZACIVSA-N 1 2 360.418 -0.334 20 30 FBEDLO N#CCC(=O)N1CCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000566017872 485201135 /nfs/dbraw/zinc/20/11/35/485201135.db2.gz NAWTXBQUTACXTF-UHFFFAOYSA-N 1 2 359.430 -0.018 20 30 FBEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CC(=O)NC(=O)NC2CC2)c1=O ZINC000566021277 484419250 /nfs/dbraw/zinc/41/92/50/484419250.db2.gz SAUBNPRRAGFOFW-UHFFFAOYSA-N 1 2 359.386 -0.460 20 30 FBEDLO COC(=O)Cn1cc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)nn1 ZINC000566117265 483477562 /nfs/dbraw/zinc/47/75/62/483477562.db2.gz ZZUOQUMRMQVXBW-UHFFFAOYSA-N 1 2 363.399 -0.114 20 30 FBEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nc2c1c(=O)n(C)c(=O)n2C ZINC000566309979 485212356 /nfs/dbraw/zinc/21/23/56/485212356.db2.gz YYWNHZGQUNLMEI-KRWDZBQOSA-N 1 2 358.402 -0.486 20 30 FBEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nc2c1c(=O)n(C)c(=O)n2C ZINC000566309980 485212147 /nfs/dbraw/zinc/21/21/47/485212147.db2.gz YYWNHZGQUNLMEI-QGZVFWFLSA-N 1 2 358.402 -0.486 20 30 FBEDLO CC[NH+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)CC1 ZINC000566486491 483905205 /nfs/dbraw/zinc/90/52/05/483905205.db2.gz HQFRKTMUWCPGBC-UHFFFAOYSA-N 1 2 372.472 -0.185 20 30 FBEDLO CC(C)(CNC(=O)CN1CCN(C(=O)CC#N)CC1)[NH+]1CCOCC1 ZINC000566628053 485226483 /nfs/dbraw/zinc/22/64/83/485226483.db2.gz GVKZXETWKWQMIY-UHFFFAOYSA-N 1 2 351.451 -0.729 20 30 FBEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CC(=O)NC[C@@H]2CCCO2)c1=O ZINC000566749595 483562477 /nfs/dbraw/zinc/56/24/77/483562477.db2.gz VEKOLDZPHLYIDJ-INIZCTEOSA-N 1 2 360.414 -0.153 20 30 FBEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CC(=O)NC[C@H]2CCCO2)c1=O ZINC000566749596 483563305 /nfs/dbraw/zinc/56/33/05/483563305.db2.gz VEKOLDZPHLYIDJ-MRXNPFEDSA-N 1 2 360.414 -0.153 20 30 FBEDLO CCCNC(=O)NC(=O)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000566834662 483571281 /nfs/dbraw/zinc/57/12/81/483571281.db2.gz APHYMMZTTZHORM-UHFFFAOYSA-N 1 2 361.402 -0.212 20 30 FBEDLO Cc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000566917278 485235735 /nfs/dbraw/zinc/23/57/35/485235735.db2.gz CISDRFBQFJNGCS-KRWDZBQOSA-N 1 2 358.402 -0.486 20 30 FBEDLO Cc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000566917279 485235491 /nfs/dbraw/zinc/23/54/91/485235491.db2.gz CISDRFBQFJNGCS-QGZVFWFLSA-N 1 2 358.402 -0.486 20 30 FBEDLO N#Cc1ccc(N2CC[NH+]([C@H]3CC(=O)N(CCOCCO)C3=O)CC2)nc1 ZINC000567156021 483719694 /nfs/dbraw/zinc/71/96/94/483719694.db2.gz BQKAJRPVDXLSFG-HNNXBMFYSA-N 1 2 373.413 -0.788 20 30 FBEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3CC(=O)N(CCOCCO)C3=O)CC2)nc1 ZINC000567156024 483719728 /nfs/dbraw/zinc/71/97/28/483719728.db2.gz BQKAJRPVDXLSFG-OAHLLOKOSA-N 1 2 373.413 -0.788 20 30 FBEDLO CC[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)CC1 ZINC000567752410 485265669 /nfs/dbraw/zinc/26/56/69/485265669.db2.gz JOPBQHYHDOWXRX-UHFFFAOYSA-N 1 2 366.509 -0.435 20 30 FBEDLO N#CCC(=O)N1CC[NH+](CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000568176356 485283716 /nfs/dbraw/zinc/28/37/16/485283716.db2.gz XVJTUUBWVATERL-UHFFFAOYSA-N 1 2 352.416 -0.229 20 30 FBEDLO CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCC[NH+]2CCC2)cc1 ZINC000568294818 485292448 /nfs/dbraw/zinc/29/24/48/485292448.db2.gz DREDZPGAFKEYJD-UHFFFAOYSA-N 1 2 372.472 -0.185 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000568557492 485300516 /nfs/dbraw/zinc/30/05/16/485300516.db2.gz GEFMCZZQYUWFBB-GFCCVEGCSA-N 1 2 358.464 -0.208 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000568557492 485300509 /nfs/dbraw/zinc/30/05/09/485300509.db2.gz GEFMCZZQYUWFBB-GFCCVEGCSA-N 1 2 358.464 -0.208 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000568557495 485301139 /nfs/dbraw/zinc/30/11/39/485301139.db2.gz GEFMCZZQYUWFBB-LBPRGKRZSA-N 1 2 358.464 -0.208 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000568557495 485301133 /nfs/dbraw/zinc/30/11/33/485301133.db2.gz GEFMCZZQYUWFBB-LBPRGKRZSA-N 1 2 358.464 -0.208 20 30 FBEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000568687552 483853822 /nfs/dbraw/zinc/85/38/22/483853822.db2.gz HDGLIDHGYFXPAJ-AWEZNQCLSA-N 1 2 365.459 -0.801 20 30 FBEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000568687552 483853819 /nfs/dbraw/zinc/85/38/19/483853819.db2.gz HDGLIDHGYFXPAJ-AWEZNQCLSA-N 1 2 365.459 -0.801 20 30 FBEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000568687562 483853697 /nfs/dbraw/zinc/85/36/97/483853697.db2.gz HDGLIDHGYFXPAJ-CQSZACIVSA-N 1 2 365.459 -0.801 20 30 FBEDLO CN1CC[N@H+](C)[C@H](CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000568687562 483853694 /nfs/dbraw/zinc/85/36/94/483853694.db2.gz HDGLIDHGYFXPAJ-CQSZACIVSA-N 1 2 365.459 -0.801 20 30 FBEDLO CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000568879686 485311462 /nfs/dbraw/zinc/31/14/62/485311462.db2.gz GLNRNDHHQNEPAG-UHFFFAOYSA-N 1 2 372.472 -0.185 20 30 FBEDLO COCC(COC)[NH+]1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)CC1 ZINC000568982487 483864462 /nfs/dbraw/zinc/86/44/62/483864462.db2.gz BQAAMYABGZJYAC-UHFFFAOYSA-N 1 2 361.402 -0.303 20 30 FBEDLO N#Cc1ccc(CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)nc1 ZINC000569137393 483867135 /nfs/dbraw/zinc/86/71/35/483867135.db2.gz DESWTQMUPZBXLH-UHFFFAOYSA-N 1 2 357.370 -0.034 20 30 FBEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000569255801 483869926 /nfs/dbraw/zinc/86/99/26/483869926.db2.gz GYXRLMXJMMPRIW-KRWDZBQOSA-N 1 2 354.370 -0.084 20 30 FBEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@]1(C(N)=O)CCOC1 ZINC000569255802 483869741 /nfs/dbraw/zinc/86/97/41/483869741.db2.gz GYXRLMXJMMPRIW-QGZVFWFLSA-N 1 2 354.370 -0.084 20 30 FBEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000569375813 483783466 /nfs/dbraw/zinc/78/34/66/483783466.db2.gz FDCHSCCNVLUDMG-HNNXBMFYSA-N 1 2 351.451 -0.729 20 30 FBEDLO CC[C@H](CC#N)[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000569375814 483783588 /nfs/dbraw/zinc/78/35/88/483783588.db2.gz FDCHSCCNVLUDMG-OAHLLOKOSA-N 1 2 351.451 -0.729 20 30 FBEDLO N#Cc1c[nH]c(=O)n(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1=O ZINC000569456596 483878229 /nfs/dbraw/zinc/87/82/29/483878229.db2.gz DGPFKUXNPPRBHO-UHFFFAOYSA-N 1 2 369.381 -0.121 20 30 FBEDLO CC[NH+]1CCN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)CC1 ZINC000569684785 483879136 /nfs/dbraw/zinc/87/91/36/483879136.db2.gz ROYBJSAUKCCSLN-UHFFFAOYSA-N 1 2 356.430 -0.234 20 30 FBEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)CNc1ccc(C#N)cn1)C2 ZINC000570100237 484462534 /nfs/dbraw/zinc/46/25/34/484462534.db2.gz LLNVMGYRFYFZBJ-AWEZNQCLSA-N 1 2 354.414 0.536 20 30 FBEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)CNc1ccc(C#N)cn1)C2 ZINC000570100239 484462712 /nfs/dbraw/zinc/46/27/12/484462712.db2.gz LLNVMGYRFYFZBJ-CQSZACIVSA-N 1 2 354.414 0.536 20 30 FBEDLO C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000570226895 484174498 /nfs/dbraw/zinc/17/44/98/484174498.db2.gz UAGHVZSEYLPSBM-LBPRGKRZSA-N 1 2 372.472 -0.187 20 30 FBEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000570610503 484213714 /nfs/dbraw/zinc/21/37/14/484213714.db2.gz YKVWKGFJRYDDAZ-CYBMUJFWSA-N 1 2 366.443 -0.327 20 30 FBEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000570610503 484213709 /nfs/dbraw/zinc/21/37/09/484213709.db2.gz YKVWKGFJRYDDAZ-CYBMUJFWSA-N 1 2 366.443 -0.327 20 30 FBEDLO C[C@H]1COCC[N@H+]1CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000570610509 483881595 /nfs/dbraw/zinc/88/15/95/483881595.db2.gz YKVWKGFJRYDDAZ-ZDUSSCGKSA-N 1 2 366.443 -0.327 20 30 FBEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000570610509 483881593 /nfs/dbraw/zinc/88/15/93/483881593.db2.gz YKVWKGFJRYDDAZ-ZDUSSCGKSA-N 1 2 366.443 -0.327 20 30 FBEDLO Cc1nn(C)c(N2CCN(C(=O)C(=O)N(C)Cc3c[nH]c[nH+]3)CC2)c1C#N ZINC000570649822 484221412 /nfs/dbraw/zinc/22/14/12/484221412.db2.gz MROFEZNVUIUEPR-UHFFFAOYSA-N 1 2 370.417 -0.370 20 30 FBEDLO Cc1nn(C)c(N2CCN(C(=O)C(=O)N(C)Cc3c[nH+]c[nH]3)CC2)c1C#N ZINC000570649822 484221408 /nfs/dbraw/zinc/22/14/08/484221408.db2.gz MROFEZNVUIUEPR-UHFFFAOYSA-N 1 2 370.417 -0.370 20 30 FBEDLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)[C@H](C)C1 ZINC000570681526 484227419 /nfs/dbraw/zinc/22/74/19/484227419.db2.gz ARMXIORKYNOOCH-GFCCVEGCSA-N 1 2 359.386 -0.012 20 30 FBEDLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)[C@H](C)C1 ZINC000570681526 484227416 /nfs/dbraw/zinc/22/74/16/484227416.db2.gz ARMXIORKYNOOCH-GFCCVEGCSA-N 1 2 359.386 -0.012 20 30 FBEDLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)[C@@H](C)C1 ZINC000570681527 483881458 /nfs/dbraw/zinc/88/14/58/483881458.db2.gz ARMXIORKYNOOCH-LBPRGKRZSA-N 1 2 359.386 -0.012 20 30 FBEDLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)[C@@H](C)C1 ZINC000570681527 483881457 /nfs/dbraw/zinc/88/14/57/483881457.db2.gz ARMXIORKYNOOCH-LBPRGKRZSA-N 1 2 359.386 -0.012 20 30 FBEDLO CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000570943153 484293889 /nfs/dbraw/zinc/29/38/89/484293889.db2.gz ZGUWOPJEGFNNMD-UHFFFAOYSA-N 1 2 372.472 -0.233 20 30 FBEDLO CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000571299821 484223520 /nfs/dbraw/zinc/22/35/20/484223520.db2.gz ZSTRXEQATILPIW-UHFFFAOYSA-N 1 2 353.386 -0.016 20 30 FBEDLO CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000571299821 484223514 /nfs/dbraw/zinc/22/35/14/484223514.db2.gz ZSTRXEQATILPIW-UHFFFAOYSA-N 1 2 353.386 -0.016 20 30 FBEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000571325960 484230454 /nfs/dbraw/zinc/23/04/54/484230454.db2.gz YJVBCVQWOJNDGL-KRWDZBQOSA-N 1 2 374.441 -0.480 20 30 FBEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000571325963 484230920 /nfs/dbraw/zinc/23/09/20/484230920.db2.gz YJVBCVQWOJNDGL-QGZVFWFLSA-N 1 2 374.441 -0.480 20 30 FBEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)CC1 ZINC000571343670 484236510 /nfs/dbraw/zinc/23/65/10/484236510.db2.gz HKFYSUYQEXYXDI-UHFFFAOYSA-N 1 2 358.445 -0.575 20 30 FBEDLO N#CCNS(=O)(=O)c1cccc(S(=O)(=O)NCC[NH+]2CCC2)c1 ZINC000571343959 484235954 /nfs/dbraw/zinc/23/59/54/484235954.db2.gz MYVJPVYJEJOKPQ-UHFFFAOYSA-N 1 2 358.445 -0.528 20 30 FBEDLO N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000571500958 483893080 /nfs/dbraw/zinc/89/30/80/483893080.db2.gz PZEDAYAGRNARPK-UHFFFAOYSA-N 1 2 368.441 -0.092 20 30 FBEDLO CN(CC(C)(C)C#N)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000571663715 484119731 /nfs/dbraw/zinc/11/97/31/484119731.db2.gz GDLYCNAVOIDWAT-UHFFFAOYSA-N 1 2 362.434 0.162 20 30 FBEDLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)NCC3(C#N)CC3)CC2)CC1 ZINC000571858731 484905805 /nfs/dbraw/zinc/90/58/05/484905805.db2.gz IPNQFBKIUBPDGS-UHFFFAOYSA-N 1 2 370.479 -0.890 20 30 FBEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)C[C@](C)(O)C=C)CC[N@@H+]1C ZINC000572490195 484188895 /nfs/dbraw/zinc/18/88/95/484188895.db2.gz WMWATMLUEZNRII-FHLIZLRMSA-N 1 2 353.463 -0.101 20 30 FBEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)C[C@](C)(O)C=C)CC[N@H+]1C ZINC000572490195 484188892 /nfs/dbraw/zinc/18/88/92/484188892.db2.gz WMWATMLUEZNRII-FHLIZLRMSA-N 1 2 353.463 -0.101 20 30 FBEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1CN(C(=O)C[C@](C)(O)C=C)CC[N@@H+]1C ZINC000572490196 484189474 /nfs/dbraw/zinc/18/94/74/484189474.db2.gz WMWATMLUEZNRII-JCGIZDLHSA-N 1 2 353.463 -0.101 20 30 FBEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1CN(C(=O)C[C@](C)(O)C=C)CC[N@H+]1C ZINC000572490196 484189466 /nfs/dbraw/zinc/18/94/66/484189466.db2.gz WMWATMLUEZNRII-JCGIZDLHSA-N 1 2 353.463 -0.101 20 30 FBEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)C[C@@](C)(O)C=C)CC[N@@H+]1C ZINC000572490197 484189396 /nfs/dbraw/zinc/18/93/96/484189396.db2.gz WMWATMLUEZNRII-JLSDUUJJSA-N 1 2 353.463 -0.101 20 30 FBEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)C[C@@](C)(O)C=C)CC[N@H+]1C ZINC000572490197 484189389 /nfs/dbraw/zinc/18/93/89/484189389.db2.gz WMWATMLUEZNRII-JLSDUUJJSA-N 1 2 353.463 -0.101 20 30 FBEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1CN(C(=O)C[C@@](C)(O)C=C)CC[N@@H+]1C ZINC000572490198 484189208 /nfs/dbraw/zinc/18/92/08/484189208.db2.gz WMWATMLUEZNRII-WBAXXEDZSA-N 1 2 353.463 -0.101 20 30 FBEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1CN(C(=O)C[C@@](C)(O)C=C)CC[N@H+]1C ZINC000572490198 484189200 /nfs/dbraw/zinc/18/92/00/484189200.db2.gz WMWATMLUEZNRII-WBAXXEDZSA-N 1 2 353.463 -0.101 20 30 FBEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 ZINC000572671466 483960594 /nfs/dbraw/zinc/96/05/94/483960594.db2.gz FXAXCEIZVDKYEK-GFCCVEGCSA-N 1 2 360.422 -0.856 20 30 FBEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 ZINC000572671467 483960164 /nfs/dbraw/zinc/96/01/64/483960164.db2.gz FXAXCEIZVDKYEK-LBPRGKRZSA-N 1 2 360.422 -0.856 20 30 FBEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)nc1 ZINC000573133278 484404480 /nfs/dbraw/zinc/40/44/80/484404480.db2.gz QKTAJBHJVNKXEC-CYBMUJFWSA-N 1 2 372.472 -0.273 20 30 FBEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)nc1 ZINC000573133278 484404473 /nfs/dbraw/zinc/40/44/73/484404473.db2.gz QKTAJBHJVNKXEC-CYBMUJFWSA-N 1 2 372.472 -0.273 20 30 FBEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)nc1 ZINC000573133281 484404271 /nfs/dbraw/zinc/40/42/71/484404271.db2.gz QKTAJBHJVNKXEC-ZDUSSCGKSA-N 1 2 372.472 -0.273 20 30 FBEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)nc1 ZINC000573133281 484404265 /nfs/dbraw/zinc/40/42/65/484404265.db2.gz QKTAJBHJVNKXEC-ZDUSSCGKSA-N 1 2 372.472 -0.273 20 30 FBEDLO CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000573222020 484030608 /nfs/dbraw/zinc/03/06/08/484030608.db2.gz YQECDJGLPNNDRM-UHFFFAOYSA-N 1 2 353.386 -0.016 20 30 FBEDLO CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000573222020 484030599 /nfs/dbraw/zinc/03/05/99/484030599.db2.gz YQECDJGLPNNDRM-UHFFFAOYSA-N 1 2 353.386 -0.016 20 30 FBEDLO N#Cc1c[nH]c(=O)n(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1=O ZINC000573608246 484076618 /nfs/dbraw/zinc/07/66/18/484076618.db2.gz HQHZZTNYHBZOEE-UHFFFAOYSA-N 1 2 353.382 -0.247 20 30 FBEDLO CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000573935565 484232110 /nfs/dbraw/zinc/23/21/10/484232110.db2.gz JNSQHBJFJDPDFZ-UHFFFAOYSA-N 1 2 353.386 -0.016 20 30 FBEDLO CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000573935565 484232106 /nfs/dbraw/zinc/23/21/06/484232106.db2.gz JNSQHBJFJDPDFZ-UHFFFAOYSA-N 1 2 353.386 -0.016 20 30 FBEDLO COC(=O)c1ccc(N2CC[NH+](CCS(N)(=O)=O)CC2)c(C#N)n1 ZINC000573980639 484259357 /nfs/dbraw/zinc/25/93/57/484259357.db2.gz BPPOMPYRYGMZPJ-UHFFFAOYSA-N 1 2 353.404 -0.850 20 30 FBEDLO CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)N(C)CCC#N)CC1 ZINC000574100733 483956111 /nfs/dbraw/zinc/95/61/11/483956111.db2.gz YIPGDWIRKWSLQN-UHFFFAOYSA-N 1 2 359.496 -0.001 20 30 FBEDLO Cc1cc(NC(=O)Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)no1 ZINC000574330515 484311428 /nfs/dbraw/zinc/31/14/28/484311428.db2.gz VHWPFSQUWOJVRQ-UHFFFAOYSA-N 1 2 357.370 0.487 20 30 FBEDLO COC(=O)[C@@H](O)C1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000574671188 484020227 /nfs/dbraw/zinc/02/02/27/484020227.db2.gz LCLRSAVWHKTMKZ-HNNXBMFYSA-N 1 2 367.427 -0.027 20 30 FBEDLO COC(=O)[C@H](O)C1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000574671189 484021348 /nfs/dbraw/zinc/02/13/48/484021348.db2.gz LCLRSAVWHKTMKZ-OAHLLOKOSA-N 1 2 367.427 -0.027 20 30 FBEDLO C=CCNC(=O)CNC(=O)N1CC[NH+]([C@@H](C)C(=O)NCCCOC)CC1 ZINC000576138092 484046241 /nfs/dbraw/zinc/04/62/41/484046241.db2.gz ACYVTWHOIGCXKT-AWEZNQCLSA-N 1 2 369.466 -0.843 20 30 FBEDLO C=CCNC(=O)CNC(=O)N1CC[NH+]([C@H](C)C(=O)NCCCOC)CC1 ZINC000576138093 484046264 /nfs/dbraw/zinc/04/62/64/484046264.db2.gz ACYVTWHOIGCXKT-CQSZACIVSA-N 1 2 369.466 -0.843 20 30 FBEDLO C=CCNC(=O)NC(=O)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000576241894 484051711 /nfs/dbraw/zinc/05/17/11/484051711.db2.gz IFGMUOFMSDQKPR-UHFFFAOYSA-N 1 2 359.386 -0.436 20 30 FBEDLO N#Cc1ccc(CN2CC[NH+](CCS(N)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000576469882 485230249 /nfs/dbraw/zinc/23/02/49/485230249.db2.gz SKSWXCLBDQHNPN-UHFFFAOYSA-N 1 2 353.404 -0.127 20 30 FBEDLO C[C@@H]1C[N@@H+](CCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCO1 ZINC000577029799 485361433 /nfs/dbraw/zinc/36/14/33/485361433.db2.gz XORTUYNEJXDBIZ-CYBMUJFWSA-N 1 2 366.443 -0.327 20 30 FBEDLO C[C@@H]1C[N@H+](CCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCO1 ZINC000577029799 485361432 /nfs/dbraw/zinc/36/14/32/485361432.db2.gz XORTUYNEJXDBIZ-CYBMUJFWSA-N 1 2 366.443 -0.327 20 30 FBEDLO C[C@H]1C[N@@H+](CCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCO1 ZINC000577029802 485361459 /nfs/dbraw/zinc/36/14/59/485361459.db2.gz XORTUYNEJXDBIZ-ZDUSSCGKSA-N 1 2 366.443 -0.327 20 30 FBEDLO C[C@H]1C[N@H+](CCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCO1 ZINC000577029802 485361458 /nfs/dbraw/zinc/36/14/58/485361458.db2.gz XORTUYNEJXDBIZ-ZDUSSCGKSA-N 1 2 366.443 -0.327 20 30 FBEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N3CCO[C@H](C#N)C3)nc2)CC1 ZINC000577308183 484113042 /nfs/dbraw/zinc/11/30/42/484113042.db2.gz HVPPYRBDBIEFGZ-CYBMUJFWSA-N 1 2 351.432 -0.254 20 30 FBEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N3CCO[C@@H](C#N)C3)nc2)CC1 ZINC000577308184 484112650 /nfs/dbraw/zinc/11/26/50/484112650.db2.gz HVPPYRBDBIEFGZ-ZDUSSCGKSA-N 1 2 351.432 -0.254 20 30 FBEDLO COC(=O)c1ccc(N2CC[NH+](CC(=O)N3CCOCC3)CC2)c(C#N)n1 ZINC000577441115 484117939 /nfs/dbraw/zinc/11/79/39/484117939.db2.gz JAENREFMPQZDKS-UHFFFAOYSA-N 1 2 373.413 -0.279 20 30 FBEDLO CCc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000577734743 484130933 /nfs/dbraw/zinc/13/09/33/484130933.db2.gz IVDWDOVHBGGNDH-GOSISDBHSA-N 1 2 372.429 -0.232 20 30 FBEDLO CCc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000577734744 484130342 /nfs/dbraw/zinc/13/03/42/484130342.db2.gz IVDWDOVHBGGNDH-SFHVURJKSA-N 1 2 372.429 -0.232 20 30 FBEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CC3(CO)COC3)CC2)cc1 ZINC000578410835 483496209 /nfs/dbraw/zinc/49/62/09/483496209.db2.gz MRUMZKJFDOVVOS-UHFFFAOYSA-N 1 2 351.428 -0.127 20 30 FBEDLO N#Cc1cccc(N2CC[NH+]([C@H]3CC(=O)N(CCOCCO)C3=O)CC2)n1 ZINC000578808873 483573837 /nfs/dbraw/zinc/57/38/37/483573837.db2.gz YHGGXZUNGPRKEX-HNNXBMFYSA-N 1 2 373.413 -0.788 20 30 FBEDLO N#Cc1cccc(N2CC[NH+]([C@@H]3CC(=O)N(CCOCCO)C3=O)CC2)n1 ZINC000578808874 483573991 /nfs/dbraw/zinc/57/39/91/483573991.db2.gz YHGGXZUNGPRKEX-OAHLLOKOSA-N 1 2 373.413 -0.788 20 30 FBEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC)CC1 ZINC000578911686 484233734 /nfs/dbraw/zinc/23/37/34/484233734.db2.gz JOFVIGUXFSRHSB-UHFFFAOYSA-N 1 2 363.466 -0.140 20 30 FBEDLO C[NH+]1CCN(S(=O)(=O)N2CCN(Cc3ccc(C#N)cn3)CC2)CC1 ZINC000578947137 483585884 /nfs/dbraw/zinc/58/58/84/483585884.db2.gz UOTVIAJGMHLAHJ-UHFFFAOYSA-N 1 2 364.475 -0.437 20 30 FBEDLO N#Cc1c[nH]c(=O)n(CC(=O)N2CC[NH+](Cc3cccs3)CC2)c1=O ZINC000579121615 483602688 /nfs/dbraw/zinc/60/26/88/483602688.db2.gz BBVXOSQLEVXAJI-UHFFFAOYSA-N 1 2 359.411 -0.186 20 30 FBEDLO C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000579127622 484244045 /nfs/dbraw/zinc/24/40/45/484244045.db2.gz GIUHYQUDSXJKOI-MNOVXSKESA-N 1 2 364.449 -0.196 20 30 FBEDLO N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC[NH+]2CCC2)cc1 ZINC000579495012 484263664 /nfs/dbraw/zinc/26/36/64/484263664.db2.gz JRSYQFZNQQJHEG-UHFFFAOYSA-N 1 2 358.445 -0.528 20 30 FBEDLO COCCNC(=O)C[NH+]1CCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000579500329 483653787 /nfs/dbraw/zinc/65/37/87/483653787.db2.gz DNGLFECQCAMQCJ-UHFFFAOYSA-N 1 2 357.418 -0.519 20 30 FBEDLO C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)NCC[NH+]2CCC2)c1 ZINC000579859058 484281404 /nfs/dbraw/zinc/28/14/04/484281404.db2.gz GKELXCNOZVGJRU-LBPRGKRZSA-N 1 2 372.472 -0.139 20 30 FBEDLO C[NH+]1CCN(S(=O)(=O)CCCCS(=O)(=O)NC(C)(C)C#N)CC1 ZINC000580725342 484291067 /nfs/dbraw/zinc/29/10/67/484291067.db2.gz QILLCINXVRXGAB-UHFFFAOYSA-N 1 2 366.509 -0.435 20 30 FBEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC(C)(C#N)C2)CC1 ZINC000581139751 484311785 /nfs/dbraw/zinc/31/17/85/484311785.db2.gz GDFRAVQOZPIVBF-UHFFFAOYSA-N 1 2 354.418 -0.143 20 30 FBEDLO COCCn1cc(N2C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CC2=O)cn1 ZINC000581196548 484313647 /nfs/dbraw/zinc/31/36/47/484313647.db2.gz XOBXMLOABONLSA-CXAGYDPISA-N 1 2 362.434 -0.158 20 30 FBEDLO COCCn1cc(N2C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC2=O)cn1 ZINC000581196551 484313332 /nfs/dbraw/zinc/31/33/32/484313332.db2.gz XOBXMLOABONLSA-DYVFJYSZSA-N 1 2 362.434 -0.158 20 30 FBEDLO COCCn1cc(N2C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC2=O)cn1 ZINC000581196641 484313501 /nfs/dbraw/zinc/31/35/01/484313501.db2.gz XOBXMLOABONLSA-GUYCJALGSA-N 1 2 362.434 -0.158 20 30 FBEDLO COCCn1cc(N2C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CC2=O)cn1 ZINC000581196642 484313477 /nfs/dbraw/zinc/31/34/77/484313477.db2.gz XOBXMLOABONLSA-SUMWQHHRSA-N 1 2 362.434 -0.158 20 30 FBEDLO N#CCNC(=O)CNC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000581329617 484321163 /nfs/dbraw/zinc/32/11/63/484321163.db2.gz XWODZJJISWECBD-UHFFFAOYSA-N 1 2 373.413 -0.075 20 30 FBEDLO COC(=O)Cn1cc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)nn1 ZINC000581424326 484244094 /nfs/dbraw/zinc/24/40/94/484244094.db2.gz JTGXWRNFGOBSRG-UHFFFAOYSA-N 1 2 364.387 -0.719 20 30 FBEDLO Cn1cc[nH+]c1CN1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)CC1 ZINC000581487900 484244325 /nfs/dbraw/zinc/24/43/25/484244325.db2.gz XBJPZPWJIJZHBW-UHFFFAOYSA-N 1 2 353.386 -0.030 20 30 FBEDLO C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCC[NH+]2CCC2)cc1 ZINC000581499851 484331828 /nfs/dbraw/zinc/33/18/28/484331828.db2.gz UPWYEXIROOOKTQ-LBPRGKRZSA-N 1 2 372.472 -0.139 20 30 FBEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000581973994 484255016 /nfs/dbraw/zinc/25/50/16/484255016.db2.gz MKOKZQOROGIEAC-CYBMUJFWSA-N 1 2 366.443 -0.327 20 30 FBEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000581973994 484255009 /nfs/dbraw/zinc/25/50/09/484255009.db2.gz MKOKZQOROGIEAC-CYBMUJFWSA-N 1 2 366.443 -0.327 20 30 FBEDLO C[C@H]1COCC[N@H+]1CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000581973995 484254603 /nfs/dbraw/zinc/25/46/03/484254603.db2.gz MKOKZQOROGIEAC-ZDUSSCGKSA-N 1 2 366.443 -0.327 20 30 FBEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000581973995 484254593 /nfs/dbraw/zinc/25/45/93/484254593.db2.gz MKOKZQOROGIEAC-ZDUSSCGKSA-N 1 2 366.443 -0.327 20 30 FBEDLO C[NH+]1CCN(S(=O)(=O)N2CCN(Cc3nc(C#N)cs3)CC2)CC1 ZINC000582174403 484119474 /nfs/dbraw/zinc/11/94/74/484119474.db2.gz RXWOFCMSUZCWBD-UHFFFAOYSA-N 1 2 370.504 -0.375 20 30 FBEDLO N#Cc1ccc2[nH+]cc(CN3CCN(C(=O)Cn4cnnn4)CC3)n2c1 ZINC000582453456 484409348 /nfs/dbraw/zinc/40/93/48/484409348.db2.gz LILGCIIXBXJWPX-UHFFFAOYSA-N 1 2 351.374 -0.463 20 30 FBEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1sccc1C#N ZINC000582852635 484289133 /nfs/dbraw/zinc/28/91/33/484289133.db2.gz NPFFPRUUQKJXFK-GFCCVEGCSA-N 1 2 352.416 -0.290 20 30 FBEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1sccc1C#N ZINC000582852638 484290130 /nfs/dbraw/zinc/29/01/30/484290130.db2.gz NPFFPRUUQKJXFK-LBPRGKRZSA-N 1 2 352.416 -0.290 20 30 FBEDLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCOCCC#N)CC2)C[C@H](C)O1 ZINC000582978802 484511214 /nfs/dbraw/zinc/51/12/14/484511214.db2.gz UTNSNXFGIIKIDR-GASCZTMLSA-N 1 2 360.480 -0.112 20 30 FBEDLO C[C@H]1CN(S(=O)(=O)N2CC[NH+](CCOCCC#N)CC2)C[C@H](C)O1 ZINC000582978806 484510631 /nfs/dbraw/zinc/51/06/31/484510631.db2.gz UTNSNXFGIIKIDR-GJZGRUSLSA-N 1 2 360.480 -0.112 20 30 FBEDLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCOCCC#N)CC2)C[C@@H](C)O1 ZINC000582978808 484510961 /nfs/dbraw/zinc/51/09/61/484510961.db2.gz UTNSNXFGIIKIDR-HUUCEWRRSA-N 1 2 360.480 -0.112 20 30 FBEDLO CC(=O)N1CCN(C(=O)C[NH+]2CCN(c3cnccc3C#N)CC2)CC1 ZINC000583180558 484339515 /nfs/dbraw/zinc/33/95/15/484339515.db2.gz RIGVRMMMJHYWQU-UHFFFAOYSA-N 1 2 356.430 -0.234 20 30 FBEDLO N#Cc1ncn(CCNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000583280309 484420181 /nfs/dbraw/zinc/42/01/81/484420181.db2.gz POQPAFGRMQAPPF-UHFFFAOYSA-N 1 2 370.421 -0.939 20 30 FBEDLO COCCNC(=O)C[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000584364457 483430392 /nfs/dbraw/zinc/43/03/92/483430392.db2.gz DUMCOIBUANLTKO-UHFFFAOYSA-N 1 2 362.390 -0.067 20 30 FBEDLO CC(C)(CNC(=O)C(=O)NC1CCN(CC#N)CC1)[NH+]1CCOCC1 ZINC000585683944 484094053 /nfs/dbraw/zinc/09/40/53/484094053.db2.gz BCNRCUJPCWFIMS-UHFFFAOYSA-N 1 2 351.451 -0.682 20 30 FBEDLO CC(C)[C@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)[NH+]1CCOCC1 ZINC000585701381 484096345 /nfs/dbraw/zinc/09/63/45/484096345.db2.gz IEGOAPMZJXKSDB-INIZCTEOSA-N 1 2 365.478 -0.436 20 30 FBEDLO CC(C)[C@@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)[NH+]1CCOCC1 ZINC000585701382 484095569 /nfs/dbraw/zinc/09/55/69/484095569.db2.gz IEGOAPMZJXKSDB-MRXNPFEDSA-N 1 2 365.478 -0.436 20 30 FBEDLO Cc1cc(C#N)cc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000587165146 484273597 /nfs/dbraw/zinc/27/35/97/484273597.db2.gz RRMSDNXOZZFGDT-UHFFFAOYSA-N 1 2 364.475 -0.124 20 30 FBEDLO C[C@@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000587699582 484336013 /nfs/dbraw/zinc/33/60/13/484336013.db2.gz ADJFXYFJYXLUCQ-PBHICJAKSA-N 1 2 374.441 -0.113 20 30 FBEDLO C[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000587699595 484336178 /nfs/dbraw/zinc/33/61/78/484336178.db2.gz ADJFXYFJYXLUCQ-RHSMWYFYSA-N 1 2 374.441 -0.113 20 30 FBEDLO C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000587699598 484336165 /nfs/dbraw/zinc/33/61/65/484336165.db2.gz ADJFXYFJYXLUCQ-WMLDXEAASA-N 1 2 374.441 -0.113 20 30 FBEDLO C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000587699602 484336281 /nfs/dbraw/zinc/33/62/81/484336281.db2.gz ADJFXYFJYXLUCQ-YOEHRIQHSA-N 1 2 374.441 -0.113 20 30 FBEDLO C[C@H](NC(=O)C(=O)NC1CCN(CC#N)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000588063036 484334889 /nfs/dbraw/zinc/33/48/89/484334889.db2.gz NKDQJYYGAFSYAL-KBPBESRZSA-N 1 2 351.451 -0.684 20 30 FBEDLO C[C@@H](NC(=O)C(=O)NC1CCN(CC#N)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000588063037 484335549 /nfs/dbraw/zinc/33/55/49/484335549.db2.gz NKDQJYYGAFSYAL-KGLIPLIRSA-N 1 2 351.451 -0.684 20 30 FBEDLO C[C@H]([C@H](C)NC(=O)C(=O)NC1CCN(CC#N)CC1)[NH+]1CCOCC1 ZINC000588063038 484335570 /nfs/dbraw/zinc/33/55/70/484335570.db2.gz NKDQJYYGAFSYAL-UONOGXRCSA-N 1 2 351.451 -0.684 20 30 FBEDLO C[C@@H](NC(=O)C(=O)NC1CCN(CC#N)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000588063039 484334827 /nfs/dbraw/zinc/33/48/27/484334827.db2.gz NKDQJYYGAFSYAL-ZIAGYGMSSA-N 1 2 351.451 -0.684 20 30 FBEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NC2CCN(CC#N)CC2)C[C@H](C)O1 ZINC000588124043 484338000 /nfs/dbraw/zinc/33/80/00/484338000.db2.gz SZMHBVYTVNXAQY-GASCZTMLSA-N 1 2 365.478 -0.342 20 30 FBEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NC2CCN(CC#N)CC2)C[C@H](C)O1 ZINC000588124043 484337995 /nfs/dbraw/zinc/33/79/95/484337995.db2.gz SZMHBVYTVNXAQY-GASCZTMLSA-N 1 2 365.478 -0.342 20 30 FBEDLO N#CCN1CCC(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000588124155 484338354 /nfs/dbraw/zinc/33/83/54/484338354.db2.gz XTQDJDBTVZCRAN-INIZCTEOSA-N 1 2 363.462 -0.586 20 30 FBEDLO N#CCN1CCC(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000588124156 484338266 /nfs/dbraw/zinc/33/82/66/484338266.db2.gz XTQDJDBTVZCRAN-MRXNPFEDSA-N 1 2 363.462 -0.586 20 30 FBEDLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 ZINC000588124636 484338441 /nfs/dbraw/zinc/33/84/41/484338441.db2.gz DCWULILYCMHYEG-UHFFFAOYSA-N 1 2 365.478 -0.340 20 30 FBEDLO CC1(C)C[N@@H+](CCNC(=O)C(=O)NC2CCN(CC#N)CC2)CCO1 ZINC000588125005 484337504 /nfs/dbraw/zinc/33/75/04/484337504.db2.gz SINJTFDZXVQVNZ-UHFFFAOYSA-N 1 2 351.451 -0.682 20 30 FBEDLO CC1(C)C[N@H+](CCNC(=O)C(=O)NC2CCN(CC#N)CC2)CCO1 ZINC000588125005 484337497 /nfs/dbraw/zinc/33/74/97/484337497.db2.gz SINJTFDZXVQVNZ-UHFFFAOYSA-N 1 2 351.451 -0.682 20 30 FBEDLO CC1(C)COCC[N@H+]1CCNC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000588125541 484338464 /nfs/dbraw/zinc/33/84/64/484338464.db2.gz FAEMNGNIIWRDBV-UHFFFAOYSA-N 1 2 351.451 -0.682 20 30 FBEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000588125541 484338460 /nfs/dbraw/zinc/33/84/60/484338460.db2.gz FAEMNGNIIWRDBV-UHFFFAOYSA-N 1 2 351.451 -0.682 20 30 FBEDLO CCOCC[NH+]1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 ZINC000588125593 484338604 /nfs/dbraw/zinc/33/86/04/484338604.db2.gz GLBWZFOJYCQMKA-UHFFFAOYSA-N 1 2 351.451 -0.729 20 30 FBEDLO N#CCN1CCC(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000588126062 484338651 /nfs/dbraw/zinc/33/86/51/484338651.db2.gz ZCYVISSUDOMNFA-INIZCTEOSA-N 1 2 363.462 -0.586 20 30 FBEDLO N#CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000588126063 484337845 /nfs/dbraw/zinc/33/78/45/484337845.db2.gz ZCYVISSUDOMNFA-MRXNPFEDSA-N 1 2 363.462 -0.586 20 30 FBEDLO Cc1nc(N2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)cc[nH+]1 ZINC000588127337 484338159 /nfs/dbraw/zinc/33/81/59/484338159.db2.gz CWKIVTWMLKMLTN-UHFFFAOYSA-N 1 2 371.445 -0.462 20 30 FBEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000588127390 484337581 /nfs/dbraw/zinc/33/75/81/484337581.db2.gz FWMXIBIFAMAMRA-UHFFFAOYSA-N 1 2 365.478 -0.340 20 30 FBEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000588127390 484337576 /nfs/dbraw/zinc/33/75/76/484337576.db2.gz FWMXIBIFAMAMRA-UHFFFAOYSA-N 1 2 365.478 -0.340 20 30 FBEDLO N#CCN1CCC(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000588127739 484338175 /nfs/dbraw/zinc/33/81/75/484338175.db2.gz QFPASFHVAVDOSV-UHFFFAOYSA-N 1 2 356.430 -0.166 20 30 FBEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCC(=O)NCC#N)CC1 ZINC000588233011 484342791 /nfs/dbraw/zinc/34/27/91/484342791.db2.gz ZRNIUHKXEKSHCY-UHFFFAOYSA-N 1 2 358.402 -0.165 20 30 FBEDLO N#Cc1ncn(CCNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)n1 ZINC000588257079 484539097 /nfs/dbraw/zinc/53/90/97/484539097.db2.gz PDRMJNFBNRWTOT-UHFFFAOYSA-N 1 2 359.394 -0.500 20 30 FBEDLO N#Cc1c(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n[nH]c1C1CC1 ZINC000588767321 484132799 /nfs/dbraw/zinc/13/27/99/484132799.db2.gz LJBVKCMYDHBRCU-CYBMUJFWSA-N 1 2 372.429 0.278 20 30 FBEDLO N#Cc1c(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n[nH]c1C1CC1 ZINC000588767322 484135144 /nfs/dbraw/zinc/13/51/44/484135144.db2.gz LJBVKCMYDHBRCU-ZDUSSCGKSA-N 1 2 372.429 0.278 20 30 FBEDLO COCC(=O)NC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000588956889 484589874 /nfs/dbraw/zinc/58/98/74/484589874.db2.gz QTLJZUNVBCGISW-UHFFFAOYSA-N 1 2 366.443 -0.046 20 30 FBEDLO COc1cc(CNc2nc(NCCO)nc(NC(C)C)[nH+]2)ccc1C#N ZINC000589604153 484625742 /nfs/dbraw/zinc/62/57/42/484625742.db2.gz UZAONJUXNHQBDI-UHFFFAOYSA-N 1 2 357.418 -0.146 20 30 FBEDLO COc1cc(CNc2nc(NC(C)C)nc(NCCO)[nH+]2)ccc1C#N ZINC000589604153 484625735 /nfs/dbraw/zinc/62/57/35/484625735.db2.gz UZAONJUXNHQBDI-UHFFFAOYSA-N 1 2 357.418 -0.146 20 30 FBEDLO COc1cc(CNc2nc(NCCO)[nH+]c(NC(C)C)n2)ccc1C#N ZINC000589604153 484625721 /nfs/dbraw/zinc/62/57/21/484625721.db2.gz UZAONJUXNHQBDI-UHFFFAOYSA-N 1 2 357.418 -0.146 20 30 FBEDLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)CC3(C#N)CC3)CC2)CC1 ZINC000590153237 484399998 /nfs/dbraw/zinc/39/99/98/484399998.db2.gz FGTPNTWIMMOLGF-UHFFFAOYSA-N 1 2 355.464 -0.683 20 30 FBEDLO CN(C)S(=O)(=O)NCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000590410167 484677998 /nfs/dbraw/zinc/67/79/98/484677998.db2.gz AGXJHHQAEVHQCN-UHFFFAOYSA-N 1 2 365.459 -0.402 20 30 FBEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)CC2)cc1 ZINC000590410171 484678018 /nfs/dbraw/zinc/67/80/18/484678018.db2.gz CTPSQACQUAMOGI-KZNAEPCWSA-N 1 2 357.410 -0.385 20 30 FBEDLO C[NH+]1CCN(C(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 ZINC000590979270 484765147 /nfs/dbraw/zinc/76/51/47/484765147.db2.gz LTWJDXMYCYXFPW-UHFFFAOYSA-N 1 2 372.429 -0.154 20 30 FBEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000591472444 483618094 /nfs/dbraw/zinc/61/80/94/483618094.db2.gz YYPQIJYUAACKLE-UHFFFAOYSA-N 1 2 362.430 -0.520 20 30 FBEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(S(=O)(=O)NC)cn2)CC1 ZINC000591652022 483634415 /nfs/dbraw/zinc/63/44/15/483634415.db2.gz XGFPNCQYQUOHIM-UHFFFAOYSA-N 1 2 353.448 -0.586 20 30 FBEDLO COC(=O)Cn1cc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)nn1 ZINC000591757109 484857722 /nfs/dbraw/zinc/85/77/22/484857722.db2.gz CNFVPHOMMHVSCF-UHFFFAOYSA-N 1 2 363.399 -0.114 20 30 FBEDLO CS(=O)(=O)N1CCN(c2ccc(Nc3ncncc3C#N)c[nH+]2)CC1 ZINC000591911043 484890423 /nfs/dbraw/zinc/89/04/23/484890423.db2.gz ILNFVPCTXHCJCI-UHFFFAOYSA-N 1 2 359.415 -0.010 20 30 FBEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N3CC[C@@](O)(CC#N)C3)nc2)CC1 ZINC000591977309 483648146 /nfs/dbraw/zinc/64/81/46/483648146.db2.gz WHCFDUBLWGDXDV-INIZCTEOSA-N 1 2 365.459 -0.127 20 30 FBEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N3CC[C@](O)(CC#N)C3)nc2)CC1 ZINC000591977325 483648593 /nfs/dbraw/zinc/64/85/93/483648593.db2.gz WHCFDUBLWGDXDV-MRXNPFEDSA-N 1 2 365.459 -0.127 20 30 FBEDLO C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)C1=O ZINC000592058837 483652409 /nfs/dbraw/zinc/65/24/09/483652409.db2.gz OOOCHMCTWGGREA-UHFFFAOYSA-N 1 2 374.401 -0.959 20 30 FBEDLO C[NH+]1CCN(S(=O)(=O)N2CCN(Cc3ccncc3C#N)CC2)CC1 ZINC000592059761 484925338 /nfs/dbraw/zinc/92/53/38/484925338.db2.gz ZHKIAWAFUMTCBL-UHFFFAOYSA-N 1 2 364.475 -0.437 20 30 FBEDLO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)C1=O ZINC000592064041 483651229 /nfs/dbraw/zinc/65/12/29/483651229.db2.gz RMTNUFBISOIQSY-UHFFFAOYSA-N 1 2 374.401 -0.959 20 30 FBEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000592149743 483655834 /nfs/dbraw/zinc/65/58/34/483655834.db2.gz VTRPNSJFWHNCFL-INIZCTEOSA-N 1 2 364.427 -0.426 20 30 FBEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000592149743 483655833 /nfs/dbraw/zinc/65/58/33/483655833.db2.gz VTRPNSJFWHNCFL-INIZCTEOSA-N 1 2 364.427 -0.426 20 30 FBEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000592149744 483656006 /nfs/dbraw/zinc/65/60/06/483656006.db2.gz VTRPNSJFWHNCFL-MRXNPFEDSA-N 1 2 364.427 -0.426 20 30 FBEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000592149744 483656003 /nfs/dbraw/zinc/65/60/03/483656003.db2.gz VTRPNSJFWHNCFL-MRXNPFEDSA-N 1 2 364.427 -0.426 20 30 FBEDLO CC(C)N(CCCNC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)S(C)(=O)=O ZINC000592149837 483655721 /nfs/dbraw/zinc/65/57/21/483655721.db2.gz XSEMSWFNHCVVDN-HNNXBMFYSA-N 1 2 360.480 -0.487 20 30 FBEDLO CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)S(C)(=O)=O ZINC000592149837 483655717 /nfs/dbraw/zinc/65/57/17/483655717.db2.gz XSEMSWFNHCVVDN-HNNXBMFYSA-N 1 2 360.480 -0.487 20 30 FBEDLO CC(C)N(CCCNC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)S(C)(=O)=O ZINC000592149838 483655591 /nfs/dbraw/zinc/65/55/91/483655591.db2.gz XSEMSWFNHCVVDN-OAHLLOKOSA-N 1 2 360.480 -0.487 20 30 FBEDLO CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)S(C)(=O)=O ZINC000592149838 483655586 /nfs/dbraw/zinc/65/55/86/483655586.db2.gz XSEMSWFNHCVVDN-OAHLLOKOSA-N 1 2 360.480 -0.487 20 30 FBEDLO C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000592440103 484977375 /nfs/dbraw/zinc/97/73/75/484977375.db2.gz JOPFGRDMSDZVKR-AWEZNQCLSA-N 1 2 369.425 -0.151 20 30 FBEDLO C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000592440104 484976800 /nfs/dbraw/zinc/97/68/00/484976800.db2.gz JOPFGRDMSDZVKR-CQSZACIVSA-N 1 2 369.425 -0.151 20 30 FBEDLO N#CC[C@]1(O)CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000592839374 483674382 /nfs/dbraw/zinc/67/43/82/483674382.db2.gz KMCGMFFWIVDAPP-PBHICJAKSA-N 1 2 350.419 -0.956 20 30 FBEDLO N#CC[C@@]1(O)CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000592839378 483674286 /nfs/dbraw/zinc/67/42/86/483674286.db2.gz KMCGMFFWIVDAPP-RHSMWYFYSA-N 1 2 350.419 -0.956 20 30 FBEDLO N#CC[C@@]1(O)CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000592839379 483674376 /nfs/dbraw/zinc/67/43/76/483674376.db2.gz KMCGMFFWIVDAPP-WMLDXEAASA-N 1 2 350.419 -0.956 20 30 FBEDLO N#CC[C@]1(O)CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000592839380 483674137 /nfs/dbraw/zinc/67/41/37/483674137.db2.gz KMCGMFFWIVDAPP-YOEHRIQHSA-N 1 2 350.419 -0.956 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@@H]4C[C@H]3C[S@]4=O)CC2)o1 ZINC000593099522 485049133 /nfs/dbraw/zinc/04/91/33/485049133.db2.gz BRQHIZOHXIFZTA-OLXKUKDPSA-N 1 2 363.443 -0.292 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@@H]4C[C@H]3C[S@]4=O)CC2)o1 ZINC000593099522 485049128 /nfs/dbraw/zinc/04/91/28/485049128.db2.gz BRQHIZOHXIFZTA-OLXKUKDPSA-N 1 2 363.443 -0.292 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@@H]4C[C@H]3C[S@@]4=O)CC2)o1 ZINC000593099527 485048729 /nfs/dbraw/zinc/04/87/29/485048729.db2.gz BRQHIZOHXIFZTA-IZEVZFMRSA-N 1 2 363.443 -0.292 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@@H]4C[C@H]3C[S@@]4=O)CC2)o1 ZINC000593099527 485048724 /nfs/dbraw/zinc/04/87/24/485048724.db2.gz BRQHIZOHXIFZTA-IZEVZFMRSA-N 1 2 363.443 -0.292 20 30 FBEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000593155565 483681254 /nfs/dbraw/zinc/68/12/54/483681254.db2.gz DHPFTCKGCFAEFA-HNNXBMFYSA-N 1 2 370.431 -0.126 20 30 FBEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000593155566 483681602 /nfs/dbraw/zinc/68/16/02/483681602.db2.gz DHPFTCKGCFAEFA-OAHLLOKOSA-N 1 2 370.431 -0.126 20 30 FBEDLO COCCOCC[NH+]1CCN(C(=O)NC2CCN(CC#N)CC2)CC1 ZINC000593338445 483683539 /nfs/dbraw/zinc/68/35/39/483683539.db2.gz XOBOEZXOWPFQGR-UHFFFAOYSA-N 1 2 353.467 -0.035 20 30 FBEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cn3cnc(C(N)=O)n3)CC2)cc1 ZINC000593389102 485111760 /nfs/dbraw/zinc/11/17/60/485111760.db2.gz NUZQUQDPYAUDNU-UHFFFAOYSA-N 1 2 353.386 -0.407 20 30 FBEDLO COCCOCC[NH+]1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 ZINC000593404416 485113822 /nfs/dbraw/zinc/11/38/22/485113822.db2.gz VJYPJFUYXPIDHG-UHFFFAOYSA-N 1 2 351.411 -0.860 20 30 FBEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000593442932 483684230 /nfs/dbraw/zinc/68/42/30/483684230.db2.gz KOOKAAAOOQVXMD-UHFFFAOYSA-N 1 2 362.434 -0.544 20 30 FBEDLO COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000593542140 485140385 /nfs/dbraw/zinc/14/03/85/485140385.db2.gz RVHAQSUARFLBOR-CYBMUJFWSA-N 1 2 366.443 -0.131 20 30 FBEDLO COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000593542140 485140380 /nfs/dbraw/zinc/14/03/80/485140380.db2.gz RVHAQSUARFLBOR-CYBMUJFWSA-N 1 2 366.443 -0.131 20 30 FBEDLO COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000593542141 485139792 /nfs/dbraw/zinc/13/97/92/485139792.db2.gz RVHAQSUARFLBOR-ZDUSSCGKSA-N 1 2 366.443 -0.131 20 30 FBEDLO COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000593542141 485139789 /nfs/dbraw/zinc/13/97/89/485139789.db2.gz RVHAQSUARFLBOR-ZDUSSCGKSA-N 1 2 366.443 -0.131 20 30 FBEDLO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593651297 485161757 /nfs/dbraw/zinc/16/17/57/485161757.db2.gz DAWGKIBHCYVFSI-LLVKDONJSA-N 1 2 352.372 -0.094 20 30 FBEDLO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593651297 485161754 /nfs/dbraw/zinc/16/17/54/485161754.db2.gz DAWGKIBHCYVFSI-LLVKDONJSA-N 1 2 352.372 -0.094 20 30 FBEDLO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593653205 485160944 /nfs/dbraw/zinc/16/09/44/485160944.db2.gz WGQHXOWRXOHJLY-CYBMUJFWSA-N 1 2 365.411 -0.216 20 30 FBEDLO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593653205 485160942 /nfs/dbraw/zinc/16/09/42/485160942.db2.gz WGQHXOWRXOHJLY-CYBMUJFWSA-N 1 2 365.411 -0.216 20 30 FBEDLO COCCOCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000593665406 485163455 /nfs/dbraw/zinc/16/34/55/485163455.db2.gz CAVVLZXXGFEHOR-UHFFFAOYSA-N 1 2 354.432 -0.077 20 30 FBEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000593667394 483689290 /nfs/dbraw/zinc/68/92/90/483689290.db2.gz VJPTVJMEMXXVJF-HNNXBMFYSA-N 1 2 362.496 -0.007 20 30 FBEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000593667398 483689012 /nfs/dbraw/zinc/68/90/12/483689012.db2.gz VJPTVJMEMXXVJF-OAHLLOKOSA-N 1 2 362.496 -0.007 20 30 FBEDLO N#CC1(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCC1 ZINC000593671628 484127724 /nfs/dbraw/zinc/12/77/24/484127724.db2.gz LTORUPYIVSDZQO-UHFFFAOYSA-N 1 2 374.445 0.354 20 30 FBEDLO COCCOCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)CC1 ZINC000593719923 485173430 /nfs/dbraw/zinc/17/34/30/485173430.db2.gz HMVOADFWLLFBTE-UHFFFAOYSA-N 1 2 361.402 -0.301 20 30 FBEDLO COCCOCC[NH+]1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1 ZINC000593925450 485209162 /nfs/dbraw/zinc/20/91/62/485209162.db2.gz CVGVRMWXWHLKJA-UHFFFAOYSA-N 1 2 374.441 -0.018 20 30 FBEDLO COCCOCC[NH+]1CCN(C(=O)C(=O)NCC(C)(C)CC#N)CC1 ZINC000593930958 483695286 /nfs/dbraw/zinc/69/52/86/483695286.db2.gz JKOHHZZEEVIUIO-UHFFFAOYSA-N 1 2 354.451 -0.150 20 30 FBEDLO N#CCC(=O)N1CCN(C/C=C/C[NH+]2CCN(C(=O)CC#N)CC2)CC1 ZINC000594001226 483696843 /nfs/dbraw/zinc/69/68/43/483696843.db2.gz SGROGZWYHRFREG-OWOJBTEDSA-N 1 2 358.446 -0.342 20 30 FBEDLO N#CCC(=O)N1CCN(C/C=C\C[NH+]2CCN(C(=O)CC#N)CC2)CC1 ZINC000594001230 483696475 /nfs/dbraw/zinc/69/64/75/483696475.db2.gz SGROGZWYHRFREG-UPHRSURJSA-N 1 2 358.446 -0.342 20 30 FBEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCN(c3nncn3C)CC2)CC1 ZINC000594023775 483697530 /nfs/dbraw/zinc/69/75/30/483697530.db2.gz UDGJPZDBPUCPCS-INIZCTEOSA-N 1 2 374.493 -0.371 20 30 FBEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCN(c3nncn3C)CC2)CC1 ZINC000594023777 483697418 /nfs/dbraw/zinc/69/74/18/483697418.db2.gz UDGJPZDBPUCPCS-MRXNPFEDSA-N 1 2 374.493 -0.371 20 30 FBEDLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)CCCCC#N)CC2)CC1 ZINC000594232138 483699315 /nfs/dbraw/zinc/69/93/15/483699315.db2.gz VMZCMRQGPYRHHZ-UHFFFAOYSA-N 1 2 357.480 -0.293 20 30 FBEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(-n2cnnn2)cn1 ZINC000594257503 483700182 /nfs/dbraw/zinc/70/01/82/483700182.db2.gz DOIGUVOCMYRBHM-UHFFFAOYSA-N 1 2 356.390 -0.255 20 30 FBEDLO C[C@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594311384 484117691 /nfs/dbraw/zinc/11/76/91/484117691.db2.gz DWYHDIFHAZREDE-MCIONIFRSA-N 1 2 362.434 0.349 20 30 FBEDLO C[C@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594311384 484117684 /nfs/dbraw/zinc/11/76/84/484117684.db2.gz DWYHDIFHAZREDE-MCIONIFRSA-N 1 2 362.434 0.349 20 30 FBEDLO C[C@@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594311385 484475668 /nfs/dbraw/zinc/47/56/68/484475668.db2.gz DWYHDIFHAZREDE-MELADBBJSA-N 1 2 362.434 0.349 20 30 FBEDLO C[C@@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594311385 484475661 /nfs/dbraw/zinc/47/56/61/484475661.db2.gz DWYHDIFHAZREDE-MELADBBJSA-N 1 2 362.434 0.349 20 30 FBEDLO N#Cc1nccc(NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000594544790 485301813 /nfs/dbraw/zinc/30/18/13/485301813.db2.gz REHQJMGBARDQJV-UHFFFAOYSA-N 1 2 373.442 -0.271 20 30 FBEDLO CS(=O)(=O)N1CCN(c2ccc(Nc3ccnc(C#N)n3)c[nH+]2)CC1 ZINC000594556331 485304588 /nfs/dbraw/zinc/30/45/88/485304588.db2.gz WQVGELALPDCWOR-UHFFFAOYSA-N 1 2 359.415 -0.010 20 30 FBEDLO C[C@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594619988 483706267 /nfs/dbraw/zinc/70/62/67/483706267.db2.gz BUNAFGNRJLOQAJ-KFWWJZLASA-N 1 2 365.478 -0.296 20 30 FBEDLO C[C@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594619988 483706265 /nfs/dbraw/zinc/70/62/65/483706265.db2.gz BUNAFGNRJLOQAJ-KFWWJZLASA-N 1 2 365.478 -0.296 20 30 FBEDLO C[C@@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594619989 483706238 /nfs/dbraw/zinc/70/62/38/483706238.db2.gz BUNAFGNRJLOQAJ-SOUVJXGZSA-N 1 2 365.478 -0.296 20 30 FBEDLO C[C@@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594619989 483706237 /nfs/dbraw/zinc/70/62/37/483706237.db2.gz BUNAFGNRJLOQAJ-SOUVJXGZSA-N 1 2 365.478 -0.296 20 30 FBEDLO CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)NCC[NH+]2CCC2)c1 ZINC000594631711 483707763 /nfs/dbraw/zinc/70/77/63/483707763.db2.gz USPATUKXHVLPCQ-UHFFFAOYSA-N 1 2 372.472 -0.185 20 30 FBEDLO N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000594635442 483708939 /nfs/dbraw/zinc/70/89/39/483708939.db2.gz YGKIXOBETGVSJW-UHFFFAOYSA-N 1 2 358.445 -0.528 20 30 FBEDLO N#CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000595085760 484131586 /nfs/dbraw/zinc/13/15/86/484131586.db2.gz BNPCKJLKFPGUJC-HNNXBMFYSA-N 1 2 374.445 0.306 20 30 FBEDLO N#CC[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000595085761 484133464 /nfs/dbraw/zinc/13/34/64/484133464.db2.gz BNPCKJLKFPGUJC-OAHLLOKOSA-N 1 2 374.445 0.306 20 30 FBEDLO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)nn1CCC#N ZINC000595124323 484259809 /nfs/dbraw/zinc/25/98/09/484259809.db2.gz BPSYPEWRWCAOQJ-KBPBESRZSA-N 1 2 362.434 0.269 20 30 FBEDLO Cc1cc(NC(=O)C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)nn1CCC#N ZINC000595124323 484259803 /nfs/dbraw/zinc/25/98/03/484259803.db2.gz BPSYPEWRWCAOQJ-KBPBESRZSA-N 1 2 362.434 0.269 20 30 FBEDLO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)nn1CCC#N ZINC000595124326 484260102 /nfs/dbraw/zinc/26/01/02/484260102.db2.gz BPSYPEWRWCAOQJ-KGLIPLIRSA-N 1 2 362.434 0.269 20 30 FBEDLO Cc1cc(NC(=O)C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)nn1CCC#N ZINC000595124326 484260095 /nfs/dbraw/zinc/26/00/95/484260095.db2.gz BPSYPEWRWCAOQJ-KGLIPLIRSA-N 1 2 362.434 0.269 20 30 FBEDLO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)nn1CCC#N ZINC000595124331 484259638 /nfs/dbraw/zinc/25/96/38/484259638.db2.gz BPSYPEWRWCAOQJ-UONOGXRCSA-N 1 2 362.434 0.269 20 30 FBEDLO Cc1cc(NC(=O)C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)nn1CCC#N ZINC000595124331 484259632 /nfs/dbraw/zinc/25/96/32/484259632.db2.gz BPSYPEWRWCAOQJ-UONOGXRCSA-N 1 2 362.434 0.269 20 30 FBEDLO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)nn1CCC#N ZINC000595124335 484260369 /nfs/dbraw/zinc/26/03/69/484260369.db2.gz BPSYPEWRWCAOQJ-ZIAGYGMSSA-N 1 2 362.434 0.269 20 30 FBEDLO Cc1cc(NC(=O)C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)nn1CCC#N ZINC000595124335 484260362 /nfs/dbraw/zinc/26/03/62/484260362.db2.gz BPSYPEWRWCAOQJ-ZIAGYGMSSA-N 1 2 362.434 0.269 20 30 FBEDLO Cc1cc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)nn1CCC#N ZINC000595152958 484247747 /nfs/dbraw/zinc/24/77/47/484247747.db2.gz NFCUZCQSBMKLKJ-AWEZNQCLSA-N 1 2 360.418 -0.023 20 30 FBEDLO Cc1cc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)nn1CCC#N ZINC000595152959 484247726 /nfs/dbraw/zinc/24/77/26/484247726.db2.gz NFCUZCQSBMKLKJ-CQSZACIVSA-N 1 2 360.418 -0.023 20 30 FBEDLO Cc1cc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)n(CCC#N)n1 ZINC000595156277 483722507 /nfs/dbraw/zinc/72/25/07/483722507.db2.gz UQVUKDGVBTZCQS-AWEZNQCLSA-N 1 2 360.418 -0.023 20 30 FBEDLO Cc1cc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)n(CCC#N)n1 ZINC000595156278 483722435 /nfs/dbraw/zinc/72/24/35/483722435.db2.gz UQVUKDGVBTZCQS-CQSZACIVSA-N 1 2 360.418 -0.023 20 30 FBEDLO CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)n1 ZINC000595156784 484136489 /nfs/dbraw/zinc/13/64/89/484136489.db2.gz XTSLZIVVSYWQCS-AWEZNQCLSA-N 1 2 374.445 0.381 20 30 FBEDLO 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ZINC000600421331 484577607 /nfs/dbraw/zinc/57/76/07/484577607.db2.gz MTEPFSHJTDRHOX-TZMCWYRMSA-N 1 2 366.443 -0.328 20 30 FBEDLO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000600421331 484577603 /nfs/dbraw/zinc/57/76/03/484577603.db2.gz MTEPFSHJTDRHOX-TZMCWYRMSA-N 1 2 366.443 -0.328 20 30 FBEDLO C[N@H+]1CCOC[C@H]1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000600423743 484577890 /nfs/dbraw/zinc/57/78/90/484577890.db2.gz FUDJZPVQIRYRAM-CYBMUJFWSA-N 1 2 352.416 -0.717 20 30 FBEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000600423743 484577881 /nfs/dbraw/zinc/57/78/81/484577881.db2.gz FUDJZPVQIRYRAM-CYBMUJFWSA-N 1 2 352.416 -0.717 20 30 FBEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000600423744 484577657 /nfs/dbraw/zinc/57/76/57/484577657.db2.gz FUDJZPVQIRYRAM-ZDUSSCGKSA-N 1 2 352.416 -0.717 20 30 FBEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000600423744 484577651 /nfs/dbraw/zinc/57/76/51/484577651.db2.gz FUDJZPVQIRYRAM-ZDUSSCGKSA-N 1 2 352.416 -0.717 20 30 FBEDLO N#Cc1ccc(CS(=O)(=O)CC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000600531886 484578827 /nfs/dbraw/zinc/57/88/27/484578827.db2.gz NGAARZJGNFWBAF-OAHLLOKOSA-N 1 2 351.428 -0.344 20 30 FBEDLO N#Cc1ccc(CS(=O)(=O)CC(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000600531886 484578821 /nfs/dbraw/zinc/57/88/21/484578821.db2.gz NGAARZJGNFWBAF-OAHLLOKOSA-N 1 2 351.428 -0.344 20 30 FBEDLO CN(C)S(=O)(=O)N1CC([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000600759800 484580429 /nfs/dbraw/zinc/58/04/29/484580429.db2.gz HYMNGPTVTCNVMC-UHFFFAOYSA-N 1 2 372.472 -0.588 20 30 FBEDLO CN(C)S(=O)(=O)N1CC([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000600761388 661735241 /nfs/dbraw/zinc/73/52/41/661735241.db2.gz PKVUKLLCJYAVGW-UHFFFAOYSA-N 1 2 372.472 -0.588 20 30 FBEDLO N#Cc1ccc(CS(=O)(=O)CC(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000600808231 484581572 /nfs/dbraw/zinc/58/15/72/484581572.db2.gz NGAARZJGNFWBAF-HNNXBMFYSA-N 1 2 351.428 -0.344 20 30 FBEDLO N#Cc1ccc(CS(=O)(=O)CC(=O)NCC[N@H+]2CC[C@H](O)C2)cc1 ZINC000600808231 484581568 /nfs/dbraw/zinc/58/15/68/484581568.db2.gz NGAARZJGNFWBAF-HNNXBMFYSA-N 1 2 351.428 -0.344 20 30 FBEDLO C[N@H+]1CCOC[C@H]1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000600837481 484581422 /nfs/dbraw/zinc/58/14/22/484581422.db2.gz GGHXVXFZZBPHQG-CYBMUJFWSA-N 1 2 352.416 -0.717 20 30 FBEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000600837481 484581420 /nfs/dbraw/zinc/58/14/20/484581420.db2.gz GGHXVXFZZBPHQG-CYBMUJFWSA-N 1 2 352.416 -0.717 20 30 FBEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000600837484 484581509 /nfs/dbraw/zinc/58/15/09/484581509.db2.gz GGHXVXFZZBPHQG-ZDUSSCGKSA-N 1 2 352.416 -0.717 20 30 FBEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000600837484 484581505 /nfs/dbraw/zinc/58/15/05/484581505.db2.gz GGHXVXFZZBPHQG-ZDUSSCGKSA-N 1 2 352.416 -0.717 20 30 FBEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000601066085 484106334 /nfs/dbraw/zinc/10/63/34/484106334.db2.gz JBLHQYTVYWCBJU-HNNXBMFYSA-N 1 2 355.460 -0.024 20 30 FBEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000601066096 484106505 /nfs/dbraw/zinc/10/65/05/484106505.db2.gz JBLHQYTVYWCBJU-OAHLLOKOSA-N 1 2 355.460 -0.024 20 30 FBEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCN(c3ncccc3C#N)CC2)C1 ZINC000601293665 484586009 /nfs/dbraw/zinc/58/60/09/484586009.db2.gz BCJHWPPIWNOQGK-HNNXBMFYSA-N 1 2 365.459 -0.264 20 30 FBEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCN(c3ncccc3C#N)CC2)C1 ZINC000601293665 484586002 /nfs/dbraw/zinc/58/60/02/484586002.db2.gz BCJHWPPIWNOQGK-HNNXBMFYSA-N 1 2 365.459 -0.264 20 30 FBEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCN(c3ncccc3C#N)CC2)C1 ZINC000601293667 484585692 /nfs/dbraw/zinc/58/56/92/484585692.db2.gz BCJHWPPIWNOQGK-OAHLLOKOSA-N 1 2 365.459 -0.264 20 30 FBEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCN(c3ncccc3C#N)CC2)C1 ZINC000601293667 484585688 /nfs/dbraw/zinc/58/56/88/484585688.db2.gz BCJHWPPIWNOQGK-OAHLLOKOSA-N 1 2 365.459 -0.264 20 30 FBEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000601299439 484586246 /nfs/dbraw/zinc/58/62/46/484586246.db2.gz ZWYIMLJXJYEUSQ-HNNXBMFYSA-N 1 2 365.459 -0.264 20 30 FBEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000601299439 484586240 /nfs/dbraw/zinc/58/62/40/484586240.db2.gz ZWYIMLJXJYEUSQ-HNNXBMFYSA-N 1 2 365.459 -0.264 20 30 FBEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000601299442 484586070 /nfs/dbraw/zinc/58/60/70/484586070.db2.gz ZWYIMLJXJYEUSQ-OAHLLOKOSA-N 1 2 365.459 -0.264 20 30 FBEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000601299442 484586060 /nfs/dbraw/zinc/58/60/60/484586060.db2.gz ZWYIMLJXJYEUSQ-OAHLLOKOSA-N 1 2 365.459 -0.264 20 30 FBEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000601314059 484585480 /nfs/dbraw/zinc/58/54/80/484585480.db2.gz YEQQZCPZHUULHE-HNNXBMFYSA-N 1 2 365.459 -0.264 20 30 FBEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000601314059 484585472 /nfs/dbraw/zinc/58/54/72/484585472.db2.gz YEQQZCPZHUULHE-HNNXBMFYSA-N 1 2 365.459 -0.264 20 30 FBEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000601314060 484586297 /nfs/dbraw/zinc/58/62/97/484586297.db2.gz YEQQZCPZHUULHE-OAHLLOKOSA-N 1 2 365.459 -0.264 20 30 FBEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000601314060 484586293 /nfs/dbraw/zinc/58/62/93/484586293.db2.gz YEQQZCPZHUULHE-OAHLLOKOSA-N 1 2 365.459 -0.264 20 30 FBEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)N(CCC#N)CCN2CCOCC2)C1 ZINC000601334573 483497853 /nfs/dbraw/zinc/49/78/53/483497853.db2.gz AWXCAVWLGDUXQJ-HNNXBMFYSA-N 1 2 360.480 -0.805 20 30 FBEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N(CCC#N)CCN2CCOCC2)C1 ZINC000601334573 483497845 /nfs/dbraw/zinc/49/78/45/483497845.db2.gz AWXCAVWLGDUXQJ-HNNXBMFYSA-N 1 2 360.480 -0.805 20 30 FBEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N(CCC#N)CCN2CCOCC2)C1 ZINC000601334574 483497429 /nfs/dbraw/zinc/49/74/29/483497429.db2.gz AWXCAVWLGDUXQJ-OAHLLOKOSA-N 1 2 360.480 -0.805 20 30 FBEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N(CCC#N)CCN2CCOCC2)C1 ZINC000601334574 483497423 /nfs/dbraw/zinc/49/74/23/483497423.db2.gz AWXCAVWLGDUXQJ-OAHLLOKOSA-N 1 2 360.480 -0.805 20 30 FBEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000601392375 484586929 /nfs/dbraw/zinc/58/69/29/484586929.db2.gz HACBJNWTQSTAIX-HNNXBMFYSA-N 1 2 365.459 -0.264 20 30 FBEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000601392375 484586926 /nfs/dbraw/zinc/58/69/26/484586926.db2.gz HACBJNWTQSTAIX-HNNXBMFYSA-N 1 2 365.459 -0.264 20 30 FBEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000601392376 484587255 /nfs/dbraw/zinc/58/72/55/484587255.db2.gz HACBJNWTQSTAIX-OAHLLOKOSA-N 1 2 365.459 -0.264 20 30 FBEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000601392376 484587249 /nfs/dbraw/zinc/58/72/49/484587249.db2.gz HACBJNWTQSTAIX-OAHLLOKOSA-N 1 2 365.459 -0.264 20 30 FBEDLO N#CCCN1CCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000601416823 483525715 /nfs/dbraw/zinc/52/57/15/483525715.db2.gz ZXNVXVZFFFMIHW-UHFFFAOYSA-N 1 2 356.430 -0.212 20 30 FBEDLO N#CCCN1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000601420157 483526473 /nfs/dbraw/zinc/52/64/73/483526473.db2.gz RXVZCFYYVQSBDA-INIZCTEOSA-N 1 2 363.462 -0.633 20 30 FBEDLO N#CCCN1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000601420160 483526141 /nfs/dbraw/zinc/52/61/41/483526141.db2.gz RXVZCFYYVQSBDA-MRXNPFEDSA-N 1 2 363.462 -0.633 20 30 FBEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCN(c3cnccc3C#N)CC2)C1 ZINC000601420743 484589298 /nfs/dbraw/zinc/58/92/98/484589298.db2.gz WEHBULYMVDLVIS-HNNXBMFYSA-N 1 2 365.459 -0.264 20 30 FBEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCN(c3cnccc3C#N)CC2)C1 ZINC000601420743 484589288 /nfs/dbraw/zinc/58/92/88/484589288.db2.gz WEHBULYMVDLVIS-HNNXBMFYSA-N 1 2 365.459 -0.264 20 30 FBEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCN(c3cnccc3C#N)CC2)C1 ZINC000601420744 484588477 /nfs/dbraw/zinc/58/84/77/484588477.db2.gz WEHBULYMVDLVIS-OAHLLOKOSA-N 1 2 365.459 -0.264 20 30 FBEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCN(c3cnccc3C#N)CC2)C1 ZINC000601420744 484588474 /nfs/dbraw/zinc/58/84/74/484588474.db2.gz WEHBULYMVDLVIS-OAHLLOKOSA-N 1 2 365.459 -0.264 20 30 FBEDLO COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000601424872 483527609 /nfs/dbraw/zinc/52/76/09/483527609.db2.gz PVMYTNQZZQQBRG-HNNXBMFYSA-N 1 2 360.480 -0.110 20 30 FBEDLO COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000601424873 483527636 /nfs/dbraw/zinc/52/76/36/483527636.db2.gz PVMYTNQZZQQBRG-OAHLLOKOSA-N 1 2 360.480 -0.110 20 30 FBEDLO CCOCC[NH+]1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 ZINC000601425446 483527942 /nfs/dbraw/zinc/52/79/42/483527942.db2.gz ZAGXFVRNQCXCIB-UHFFFAOYSA-N 1 2 351.451 -0.775 20 30 FBEDLO Cn1cc[nH+]c1CN1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 ZINC000601451294 483536444 /nfs/dbraw/zinc/53/64/44/483536444.db2.gz YNAHIIXAUPEXSZ-UHFFFAOYSA-N 1 2 373.461 -0.878 20 30 FBEDLO CC1(C)[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@H]1[NH+]1CCOCC1 ZINC000601453249 483536489 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C=CCN1C(=O)C(=O)N(CC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)C1=O ZINC000617735612 484466005 /nfs/dbraw/zinc/46/60/05/484466005.db2.gz RPUCFOLNZJJLSR-NWDGAFQWSA-N 1 2 352.391 -0.811 20 30 FBEDLO C=CCN1C(=O)C(=O)N(CC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)C1=O ZINC000617735612 484466001 /nfs/dbraw/zinc/46/60/01/484466001.db2.gz RPUCFOLNZJJLSR-NWDGAFQWSA-N 1 2 352.391 -0.811 20 30 FBEDLO C=CCN1C(=O)C(=O)N(CC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)C1=O ZINC000617735613 484465746 /nfs/dbraw/zinc/46/57/46/484465746.db2.gz RPUCFOLNZJJLSR-RYUDHWBXSA-N 1 2 352.391 -0.811 20 30 FBEDLO C=CCN1C(=O)C(=O)N(CC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)C1=O ZINC000617735613 484465744 /nfs/dbraw/zinc/46/57/44/484465744.db2.gz RPUCFOLNZJJLSR-RYUDHWBXSA-N 1 2 352.391 -0.811 20 30 FBEDLO C=CCN1C(=O)C(=O)N(CC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)C1=O ZINC000617735614 484465516 /nfs/dbraw/zinc/46/55/16/484465516.db2.gz RPUCFOLNZJJLSR-VXGBXAGGSA-N 1 2 352.391 -0.811 20 30 FBEDLO C=CCN1C(=O)C(=O)N(CC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)C1=O ZINC000617735614 484465510 /nfs/dbraw/zinc/46/55/10/484465510.db2.gz RPUCFOLNZJJLSR-VXGBXAGGSA-N 1 2 352.391 -0.811 20 30 FBEDLO C[C@H](C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)n1cnc(C#N)n1 ZINC000619613174 484572248 /nfs/dbraw/zinc/57/22/48/484572248.db2.gz KPSXIIBYGJOFSF-CYBMUJFWSA-N 1 2 359.434 -0.229 20 30 FBEDLO C[C@@H](C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)n1cnc(C#N)n1 ZINC000619613175 484571968 /nfs/dbraw/zinc/57/19/68/484571968.db2.gz KPSXIIBYGJOFSF-ZDUSSCGKSA-N 1 2 359.434 -0.229 20 30 FBEDLO C[C@@H](C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)n1cnc(C#N)n1 ZINC000619614117 484572359 /nfs/dbraw/zinc/57/23/59/484572359.db2.gz PAVVUBCFOXSAJK-KBPBESRZSA-N 1 2 359.434 -0.134 20 30 FBEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1 ZINC000619614118 484572319 /nfs/dbraw/zinc/57/23/19/484572319.db2.gz PAVVUBCFOXSAJK-KGLIPLIRSA-N 1 2 359.434 -0.134 20 30 FBEDLO C[C@H](C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)n1cnc(C#N)n1 ZINC000619614119 484572069 /nfs/dbraw/zinc/57/20/69/484572069.db2.gz PAVVUBCFOXSAJK-UONOGXRCSA-N 1 2 359.434 -0.134 20 30 FBEDLO C[C@H](C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)n1cnc(C#N)n1 ZINC000619614120 484572185 /nfs/dbraw/zinc/57/21/85/484572185.db2.gz PAVVUBCFOXSAJK-ZIAGYGMSSA-N 1 2 359.434 -0.134 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@@](F)(CO)C3)CC2)o1 ZINC000619816233 484584610 /nfs/dbraw/zinc/58/46/10/484584610.db2.gz UGDKHJXYYAEBJF-INIZCTEOSA-N 1 2 351.382 -0.090 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@](F)(CO)C3)CC2)o1 ZINC000619816233 484584594 /nfs/dbraw/zinc/58/45/94/484584594.db2.gz UGDKHJXYYAEBJF-INIZCTEOSA-N 1 2 351.382 -0.090 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@](F)(CO)C3)CC2)o1 ZINC000619816234 484583954 /nfs/dbraw/zinc/58/39/54/484583954.db2.gz UGDKHJXYYAEBJF-MRXNPFEDSA-N 1 2 351.382 -0.090 20 30 FBEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@](F)(CO)C3)CC2)o1 ZINC000619816234 484583948 /nfs/dbraw/zinc/58/39/48/484583948.db2.gz UGDKHJXYYAEBJF-MRXNPFEDSA-N 1 2 351.382 -0.090 20 30 FBEDLO N#Cc1cnn(-c2ccc(C(=O)N[C@H](CO)C[NH+]3CCOCC3)cc2)c1N ZINC000619871118 484586084 /nfs/dbraw/zinc/58/60/84/484586084.db2.gz STWBJMKCINBWKY-HNNXBMFYSA-N 1 2 370.413 -0.251 20 30 FBEDLO N#Cc1cnn(-c2ccc(C(=O)N[C@@H](CO)C[NH+]3CCOCC3)cc2)c1N ZINC000619871119 484585318 /nfs/dbraw/zinc/58/53/18/484585318.db2.gz STWBJMKCINBWKY-OAHLLOKOSA-N 1 2 370.413 -0.251 20 30 FBEDLO C=CCN1C(=O)C(=O)N(CC(=O)NCCc2cn3ccccc3[nH+]2)C1=O ZINC000623215485 484098579 /nfs/dbraw/zinc/09/85/79/484098579.db2.gz RAGCOQBUSOSFRM-UHFFFAOYSA-N 1 2 355.354 -0.030 20 30 FBEDLO Nc1ncc2c(n1)CN(CC#CC[N@@H+]1CCc3cnc(N)nc3C1)CC2 ZINC000623292470 484512542 /nfs/dbraw/zinc/51/25/42/484512542.db2.gz OWXROXCQGYHUJO-UHFFFAOYSA-N 1 2 350.430 -0.488 20 30 FBEDLO Nc1ncc2c(n1)CN(CC#CC[N@H+]1CCc3cnc(N)nc3C1)CC2 ZINC000623292470 484512539 /nfs/dbraw/zinc/51/25/39/484512539.db2.gz OWXROXCQGYHUJO-UHFFFAOYSA-N 1 2 350.430 -0.488 20 30 FBEDLO C=CCn1c(-c2cn[nH]c2)nnc1N1CC[NH+](CC(=O)NCCOC)CC1 ZINC000624843691 483441218 /nfs/dbraw/zinc/44/12/18/483441218.db2.gz ASHGDSOXWPKGEW-UHFFFAOYSA-N 1 2 374.449 -0.261 20 30 FBEDLO CN(C)C(=O)C[NH+]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000625064010 483454115 /nfs/dbraw/zinc/45/41/15/483454115.db2.gz HNSUJVWLOWZGNK-UHFFFAOYSA-N 1 2 368.437 -0.008 20 30 FBEDLO Cn1c(N)c(C(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)c(=O)n(C)c1=O ZINC000626129987 484039672 /nfs/dbraw/zinc/03/96/72/484039672.db2.gz DZCTWUJSKKXGCF-UHFFFAOYSA-N 1 2 367.409 -0.027 20 30 FBEDLO Cn1c(N)c(C(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)c(=O)n(C)c1=O ZINC000626129987 484039661 /nfs/dbraw/zinc/03/96/61/484039661.db2.gz DZCTWUJSKKXGCF-UHFFFAOYSA-N 1 2 367.409 -0.027 20 30 FBEDLO C=CCn1cc(CNC(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2[nH+]ccn2C)nn1 ZINC000627830768 484989677 /nfs/dbraw/zinc/98/96/77/484989677.db2.gz MHGJMJMTWUHLKS-GJZGRUSLSA-N 1 2 373.417 -0.198 20 30 FBEDLO C=C1CC(C)(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000630718011 484821388 /nfs/dbraw/zinc/82/13/88/484821388.db2.gz NXUJRBUMLBCKBN-UHFFFAOYSA-N 1 2 356.492 -0.021 20 30 FBEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2CO)c1 ZINC000632577347 485087545 /nfs/dbraw/zinc/08/75/45/485087545.db2.gz QWOCVFKZCMEXRU-AWEZNQCLSA-N 1 2 353.444 -0.101 20 30 FBEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2CO)c1 ZINC000632577347 485087540 /nfs/dbraw/zinc/08/75/40/485087540.db2.gz QWOCVFKZCMEXRU-AWEZNQCLSA-N 1 2 353.444 -0.101 20 30 FBEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2CO)c1 ZINC000632577353 485087707 /nfs/dbraw/zinc/08/77/07/485087707.db2.gz QWOCVFKZCMEXRU-CQSZACIVSA-N 1 2 353.444 -0.101 20 30 FBEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2CO)c1 ZINC000632577353 485087703 /nfs/dbraw/zinc/08/77/03/485087703.db2.gz QWOCVFKZCMEXRU-CQSZACIVSA-N 1 2 353.444 -0.101 20 30 FBEDLO C=CCN(CCOC)C(=O)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000632603950 485092433 /nfs/dbraw/zinc/09/24/33/485092433.db2.gz QJUKYGYJZXIPLO-UHFFFAOYSA-N 1 2 361.446 -0.176 20 30 FBEDLO C=CCOCCCNC(=O)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000632748419 485108226 /nfs/dbraw/zinc/10/82/26/485108226.db2.gz FJGQWRXYWLEDSI-UHFFFAOYSA-N 1 2 361.446 -0.128 20 30 FBEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(Cc3cc(C)[nH]n3)n2C)CC1 ZINC000634317850 485140673 /nfs/dbraw/zinc/14/06/73/485140673.db2.gz OOZMNZHLRNKZTE-UHFFFAOYSA-N 1 2 358.450 -0.138 20 30 FBEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(COCCOC)n2C)CC1 ZINC000634322600 485140692 /nfs/dbraw/zinc/14/06/92/485140692.db2.gz HVTQQSPCCUAXGM-UHFFFAOYSA-N 1 2 352.439 -0.598 20 30 FBEDLO C=CCn1c(COCCOC)nnc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000634340233 485141201 /nfs/dbraw/zinc/14/12/01/485141201.db2.gz GSGBTGVBZMXUHU-UHFFFAOYSA-N 1 2 366.466 -0.163 20 30 FBEDLO C=CCCOCCNC(=O)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000636827140 483853011 /nfs/dbraw/zinc/85/30/11/483853011.db2.gz RCWVFLGFWLHKBX-UHFFFAOYSA-N 1 2 361.446 -0.128 20 30 FBEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000636979817 483865920 /nfs/dbraw/zinc/86/59/20/483865920.db2.gz HCEJWZGZSBZXMI-RDJZCZTQSA-N 1 2 373.457 -0.129 20 30 FBEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(F)c(S(N)(=O)=O)c2)CC1 ZINC000637880141 483680407 /nfs/dbraw/zinc/68/04/07/483680407.db2.gz CABMPZLNFPDMBC-UHFFFAOYSA-N 1 2 370.450 -0.107 20 30 FBEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000637880337 483680920 /nfs/dbraw/zinc/68/09/20/483680920.db2.gz JKBQNQZDZKFAAU-UHFFFAOYSA-N 1 2 370.450 -0.107 20 30 FBEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000637880407 483680709 /nfs/dbraw/zinc/68/07/09/483680709.db2.gz MLRLJSKUXSTSHY-UHFFFAOYSA-N 1 2 352.460 -0.246 20 30 FBEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000637880407 483680706 /nfs/dbraw/zinc/68/07/06/483680706.db2.gz MLRLJSKUXSTSHY-UHFFFAOYSA-N 1 2 352.460 -0.246 20 30 FBEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1=O ZINC000639623437 484513368 /nfs/dbraw/zinc/51/33/68/484513368.db2.gz PGXIPNYFUHVCMK-AWEZNQCLSA-N 1 2 372.491 -0.755 20 30 FBEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1=O ZINC000639623437 484513363 /nfs/dbraw/zinc/51/33/63/484513363.db2.gz PGXIPNYFUHVCMK-AWEZNQCLSA-N 1 2 372.491 -0.755 20 30 FBEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1=O ZINC000639623438 484513393 /nfs/dbraw/zinc/51/33/93/484513393.db2.gz PGXIPNYFUHVCMK-CQSZACIVSA-N 1 2 372.491 -0.755 20 30 FBEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1=O ZINC000639623438 484513389 /nfs/dbraw/zinc/51/33/89/484513389.db2.gz PGXIPNYFUHVCMK-CQSZACIVSA-N 1 2 372.491 -0.755 20 30 FBEDLO CC#CC[NH2+]Cc1cn(CC(=O)N2CCN(C(=O)c3ccco3)CC2)nn1 ZINC000640760359 484603807 /nfs/dbraw/zinc/60/38/07/484603807.db2.gz KPQGDXXEQXNXBE-UHFFFAOYSA-N 1 2 370.413 -0.031 20 30 FBEDLO C=C(C)CN(CC)C(=O)Cn1cc(C[NH2+][C@@H]2CCS(=O)(=O)C2)nn1 ZINC000640792059 484636495 /nfs/dbraw/zinc/63/64/95/484636495.db2.gz KSHQTBRXNPSMMK-CYBMUJFWSA-N 1 2 355.464 -0.021 20 30 FBEDLO C=C(C)CN(CC)C(=O)Cn1cc(C[NH2+][C@H]2CCS(=O)(=O)C2)nn1 ZINC000640792062 484636406 /nfs/dbraw/zinc/63/64/06/484636406.db2.gz KSHQTBRXNPSMMK-ZDUSSCGKSA-N 1 2 355.464 -0.021 20 30 FBEDLO CC#CC[NH2+]Cc1cn(CC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)nn1 ZINC000640808015 484643956 /nfs/dbraw/zinc/64/39/56/484643956.db2.gz QJWNUVIFMBAFFX-AWEZNQCLSA-N 1 2 353.448 -0.573 20 30 FBEDLO CC#CC[NH2+]Cc1cn(CC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)nn1 ZINC000640808025 484644252 /nfs/dbraw/zinc/64/42/52/484644252.db2.gz QJWNUVIFMBAFFX-CQSZACIVSA-N 1 2 353.448 -0.573 20 30 FBEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nn1 ZINC000640890323 484679575 /nfs/dbraw/zinc/67/95/75/484679575.db2.gz MDTAHMPFCQQMSZ-GXTWGEPZSA-N 1 2 353.448 -0.403 20 30 FBEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)nn1 ZINC000640890324 484679293 /nfs/dbraw/zinc/67/92/93/484679293.db2.gz MDTAHMPFCQQMSZ-JSGCOSHPSA-N 1 2 353.448 -0.403 20 30 FBEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)nn1 ZINC000640890325 484679853 /nfs/dbraw/zinc/67/98/53/484679853.db2.gz MDTAHMPFCQQMSZ-OCCSQVGLSA-N 1 2 353.448 -0.403 20 30 FBEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nn1 ZINC000640890326 484679038 /nfs/dbraw/zinc/67/90/38/484679038.db2.gz MDTAHMPFCQQMSZ-TZMCWYRMSA-N 1 2 353.448 -0.403 20 30 FBEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)nn1 ZINC000640890983 484679461 /nfs/dbraw/zinc/67/94/61/484679461.db2.gz QWANQYHLJJBCNA-DZGCQCFKSA-N 1 2 367.475 -0.012 20 30 FBEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)nn1 ZINC000640890986 484679433 /nfs/dbraw/zinc/67/94/33/484679433.db2.gz QWANQYHLJJBCNA-HIFRSBDPSA-N 1 2 367.475 -0.012 20 30 FBEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)nn1 ZINC000640890988 484679216 /nfs/dbraw/zinc/67/92/16/484679216.db2.gz QWANQYHLJJBCNA-UKRRQHHQSA-N 1 2 367.475 -0.012 20 30 FBEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)nn1 ZINC000640890990 484679244 /nfs/dbraw/zinc/67/92/44/484679244.db2.gz QWANQYHLJJBCNA-ZFWWWQNUSA-N 1 2 367.475 -0.012 20 30 FBEDLO CC#CC[NH2+]Cc1cn(CC(=O)N2CCN(c3cnccn3)CC2)nn1 ZINC000641007036 484739956 /nfs/dbraw/zinc/73/99/56/484739956.db2.gz HWTWNFHTMVQKBY-UHFFFAOYSA-N 1 2 354.418 -0.470 20 30 FBEDLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CC#CCO ZINC000647526190 484296694 /nfs/dbraw/zinc/29/66/94/484296694.db2.gz XMVCHJHRYVOUJU-UHFFFAOYSA-N 1 2 360.457 -0.704 20 30 FBEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000648296995 484349093 /nfs/dbraw/zinc/34/90/93/484349093.db2.gz XSBVPUSLNJYFQE-OAGGEKHMSA-N 1 2 351.447 -0.031 20 30 FBEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000648296996 484349049 /nfs/dbraw/zinc/34/90/49/484349049.db2.gz XSBVPUSLNJYFQE-XHSDSOJGSA-N 1 2 351.447 -0.031 20 30 FBEDLO C=CCn1cc(CNC(=O)N2CC[NH+](CCOCCOC)CC2)nn1 ZINC000651167039 483445818 /nfs/dbraw/zinc/44/58/18/483445818.db2.gz TYZFNOPPNPLDJH-UHFFFAOYSA-N 1 2 352.439 -0.046 20 30 FBEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000653434921 484279041 /nfs/dbraw/zinc/27/90/41/484279041.db2.gz NZSKOXSDRXVJOX-HOTGVXAUSA-N 1 2 369.462 -0.499 20 30 FBEDLO C=CCCn1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)nn1 ZINC000653580957 484554437 /nfs/dbraw/zinc/55/44/37/484554437.db2.gz PKOHKLYYECAEKA-CABCVRRESA-N 1 2 355.464 -0.558 20 30 FBEDLO C=CCCn1cc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)nn1 ZINC000653580958 484555360 /nfs/dbraw/zinc/55/53/60/484555360.db2.gz PKOHKLYYECAEKA-GJZGRUSLSA-N 1 2 355.464 -0.558 20 30 FBEDLO C=CCCn1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)nn1 ZINC000653580959 484555296 /nfs/dbraw/zinc/55/52/96/484555296.db2.gz PKOHKLYYECAEKA-HUUCEWRRSA-N 1 2 355.464 -0.558 20 30 FBEDLO C=CCCn1cc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)nn1 ZINC000653580960 484555274 /nfs/dbraw/zinc/55/52/74/484555274.db2.gz PKOHKLYYECAEKA-LSDHHAIUSA-N 1 2 355.464 -0.558 20 30 FBEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000656183102 484605336 /nfs/dbraw/zinc/60/53/36/484605336.db2.gz LEWOHVKOHVIOHV-OAGGEKHMSA-N 1 2 366.462 -0.096 20 30 FBEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000656183103 484605220 /nfs/dbraw/zinc/60/52/20/484605220.db2.gz LEWOHVKOHVIOHV-XHSDSOJGSA-N 1 2 366.462 -0.096 20 30 FBEDLO C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000658605048 485167248 /nfs/dbraw/zinc/16/72/48/485167248.db2.gz FMUNWQKUJIOKLP-UHFFFAOYSA-N 1 2 353.444 -0.099 20 30 FBEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000658607091 485167814 /nfs/dbraw/zinc/16/78/14/485167814.db2.gz VLVJNQFMTZCXIQ-CVEARBPZSA-N 1 2 353.463 -0.047 20 30 FBEDLO C=CC[C@H]1CCCN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000658607093 485167283 /nfs/dbraw/zinc/16/72/83/485167283.db2.gz VLVJNQFMTZCXIQ-HOTGVXAUSA-N 1 2 353.463 -0.047 20 30 FBEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000658607094 485167512 /nfs/dbraw/zinc/16/75/12/485167512.db2.gz VLVJNQFMTZCXIQ-HZPDHXFCSA-N 1 2 353.463 -0.047 20 30 FBEDLO C=CC[C@H]1CCCN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000658607096 485167685 /nfs/dbraw/zinc/16/76/85/485167685.db2.gz VLVJNQFMTZCXIQ-JKSUJKDBSA-N 1 2 353.463 -0.047 20 30 FBEDLO C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000658675718 485173917 /nfs/dbraw/zinc/17/39/17/485173917.db2.gz AMQDBJIXAMXPOC-CABCVRRESA-N 1 2 364.446 -0.835 20 30 FBEDLO C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC000658675719 485174275 /nfs/dbraw/zinc/17/42/75/485174275.db2.gz AMQDBJIXAMXPOC-GJZGRUSLSA-N 1 2 364.446 -0.835 20 30 FBEDLO C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000658675720 485174040 /nfs/dbraw/zinc/17/40/40/485174040.db2.gz AMQDBJIXAMXPOC-HUUCEWRRSA-N 1 2 364.446 -0.835 20 30 FBEDLO C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC000658675722 485173867 /nfs/dbraw/zinc/17/38/67/485173867.db2.gz AMQDBJIXAMXPOC-LSDHHAIUSA-N 1 2 364.446 -0.835 20 30 FBEDLO C=C[C@H](CO)NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000658916289 485199717 /nfs/dbraw/zinc/19/97/17/485199717.db2.gz GXFIMGXCXPZJDX-CYBMUJFWSA-N 1 2 360.414 -0.324 20 30 FBEDLO C=C[C@H](CO)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000658918794 485200001 /nfs/dbraw/zinc/20/00/01/485200001.db2.gz APDQTDUGMLNVPP-MRXNPFEDSA-N 1 2 374.441 -0.048 20 30 FBEDLO C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000658918871 485199704 /nfs/dbraw/zinc/19/97/04/485199704.db2.gz OEGROKNXXJZXTH-MRXNPFEDSA-N 1 2 374.441 -0.048 20 30 FBEDLO C=C[C@H](CO)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000658918886 485199991 /nfs/dbraw/zinc/19/99/91/485199991.db2.gz RMGQDLIVCBUJTD-MRXNPFEDSA-N 1 2 374.441 -0.048 20 30 FBEDLO C=C[C@](C)(O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000666373341 484567926 /nfs/dbraw/zinc/56/79/26/484567926.db2.gz BVACQDXQICFOIG-INIZCTEOSA-N 1 2 368.459 -0.413 20 30 FBEDLO C=C[C@@](C)(O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000666373342 484567754 /nfs/dbraw/zinc/56/77/54/484567754.db2.gz BVACQDXQICFOIG-MRXNPFEDSA-N 1 2 368.459 -0.413 20 30 FBEDLO C=C[C@@H](O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000666373662 484567771 /nfs/dbraw/zinc/56/77/71/484567771.db2.gz FEYOUKNIMCMDOR-CYBMUJFWSA-N 1 2 354.432 -0.804 20 30 FBEDLO C=C[C@H](O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000666373663 484567794 /nfs/dbraw/zinc/56/77/94/484567794.db2.gz FEYOUKNIMCMDOR-ZDUSSCGKSA-N 1 2 354.432 -0.804 20 30 FBEDLO C=C[C@H](O)C(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000668848453 484393070 /nfs/dbraw/zinc/39/30/70/484393070.db2.gz SQQLYIXHNMUZTD-AWEZNQCLSA-N 1 2 353.444 -0.214 20 30 FBEDLO C=C[C@@H](O)C(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000668848460 484393197 /nfs/dbraw/zinc/39/31/97/484393197.db2.gz SQQLYIXHNMUZTD-CQSZACIVSA-N 1 2 353.444 -0.214 20 30 FBEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000668857965 484412711 /nfs/dbraw/zinc/41/27/11/484412711.db2.gz RIOUYDNKXGRKCF-CVEARBPZSA-N 1 2 366.462 -0.493 20 30 FBEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000668857966 484413151 /nfs/dbraw/zinc/41/31/51/484413151.db2.gz RIOUYDNKXGRKCF-HOTGVXAUSA-N 1 2 366.462 -0.493 20 30 FBEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000668857967 484412500 /nfs/dbraw/zinc/41/25/00/484412500.db2.gz RIOUYDNKXGRKCF-HZPDHXFCSA-N 1 2 366.462 -0.493 20 30 FBEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000668857968 484412472 /nfs/dbraw/zinc/41/24/72/484412472.db2.gz RIOUYDNKXGRKCF-JKSUJKDBSA-N 1 2 366.462 -0.493 20 30 FBEDLO C=CCn1c(-c2cc[nH]n2)nnc1N1CC[NH+](CC(=O)NCCOC)CC1 ZINC000669029442 483754186 /nfs/dbraw/zinc/75/41/86/483754186.db2.gz FCTQEKYXJFTZNM-UHFFFAOYSA-N 1 2 374.449 -0.261 20 30 FBEDLO C=CCn1c(-c2cn(C)nn2)nnc1N1CC[NH+](CC(=O)NCC)CC1 ZINC000669038336 483757813 /nfs/dbraw/zinc/75/78/13/483757813.db2.gz IUEYKRHLDXFUQM-UHFFFAOYSA-N 1 2 359.438 -0.482 20 30 FBEDLO C=CCn1c(-c2cn(C)nn2)nnc1N1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000669038525 483757604 /nfs/dbraw/zinc/75/76/04/483757604.db2.gz OWMTXSGXJOBRAZ-UHFFFAOYSA-N 1 2 373.465 -0.094 20 30 FBEDLO C=CCn1c(-c2cn(C)nn2)nnc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000669038683 483757534 /nfs/dbraw/zinc/75/75/34/483757534.db2.gz TYXJTMPQFTWZCF-UHFFFAOYSA-N 1 2 371.449 -0.340 20 30 FBEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(-c3cn(C)nn3)n2CC=C)CC1 ZINC000669038874 483757747 /nfs/dbraw/zinc/75/77/47/483757747.db2.gz ZLNJTBWIVFCEIO-UHFFFAOYSA-N 1 2 371.449 -0.316 20 30 FBEDLO C=CCn1c(-c2cn(C)nn2)nnc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000669039422 483757693 /nfs/dbraw/zinc/75/76/93/483757693.db2.gz NINYFIUAGHUQDN-UHFFFAOYSA-N 1 2 359.438 -0.530 20 30 FBEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(-c3cn(C)nn3)n2CC)CC1 ZINC000669127227 483850367 /nfs/dbraw/zinc/85/03/67/483850367.db2.gz FYJNISZUINNMER-UHFFFAOYSA-N 1 2 359.438 -0.482 20 30 FBEDLO C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CC[NH+](CC(=O)NCC)CC1 ZINC000669331910 484211017 /nfs/dbraw/zinc/21/10/17/484211017.db2.gz SFKIHOJAGKXGIU-UHFFFAOYSA-N 1 2 373.465 -0.092 20 30 FBEDLO C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000669333127 484213887 /nfs/dbraw/zinc/21/38/87/484213887.db2.gz MBRNGFZCYCKPPM-UHFFFAOYSA-N 1 2 373.465 -0.140 20 30 FBEDLO C=CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000669803335 484424979 /nfs/dbraw/zinc/42/49/79/484424979.db2.gz AHOKDNPDVWYBSF-UHFFFAOYSA-N 1 2 363.466 -0.188 20 30 FBEDLO C=CCn1c(COC)nnc1N1CC[NH+](CC(=O)NCCOC)CC1 ZINC000669804125 484426133 /nfs/dbraw/zinc/42/61/33/484426133.db2.gz UMVDKCDOYRXSAE-UHFFFAOYSA-N 1 2 352.439 -0.505 20 30 FBEDLO C=CCn1c(COC)nnc1N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000669808223 484432523 /nfs/dbraw/zinc/43/25/23/484432523.db2.gz LPMGOAUCFCHSHK-UHFFFAOYSA-N 1 2 364.450 -0.409 20 30 FBEDLO C=CCn1c([C@@H]2COCCO2)nnc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000669812768 484488090 /nfs/dbraw/zinc/48/80/90/484488090.db2.gz LURBYDDBZRAVOF-AWEZNQCLSA-N 1 2 364.450 -0.238 20 30 FBEDLO C=CCn1c([C@H]2COCCO2)nnc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000669812769 484487806 /nfs/dbraw/zinc/48/78/06/484487806.db2.gz LURBYDDBZRAVOF-CQSZACIVSA-N 1 2 364.450 -0.238 20 30 FBEDLO C=C(C)Cn1c(COC)nnc1N1CC[NH+](CC(=O)NCCOC)CC1 ZINC000670204042 484779606 /nfs/dbraw/zinc/77/96/06/484779606.db2.gz PEFDXXXQZNMTGJ-UHFFFAOYSA-N 1 2 366.466 -0.115 20 30 FBEDLO C=CCNC(=O)c1ccc(NCC[NH+]2CCN(S(C)(=O)=O)CC2)nc1 ZINC000678711199 484870530 /nfs/dbraw/zinc/87/05/30/484870530.db2.gz OSCHBOXEZSUUCJ-UHFFFAOYSA-N 1 2 367.475 -0.014 20 30 FBEDLO C=CCOCCNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000679530173 484885499 /nfs/dbraw/zinc/88/54/99/484885499.db2.gz FKAGLKJCOXGORI-UHFFFAOYSA-N 1 2 351.407 -0.527 20 30 FBEDLO C=CCOCCNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000679532102 484885466 /nfs/dbraw/zinc/88/54/66/484885466.db2.gz GLVPJTXMSIXDKL-UHFFFAOYSA-N 1 2 351.407 -0.527 20 30 FBEDLO C[C@@H]1C[N@@H+](CCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCO1 ZINC000725721461 657418283 /nfs/dbraw/zinc/41/82/83/657418283.db2.gz PVYJHPJPGXFSNB-GFCCVEGCSA-N 1 2 366.443 -0.438 20 30 FBEDLO C[C@@H]1C[N@H+](CCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCO1 ZINC000725721461 657418280 /nfs/dbraw/zinc/41/82/80/657418280.db2.gz PVYJHPJPGXFSNB-GFCCVEGCSA-N 1 2 366.443 -0.438 20 30 FBEDLO C[C@H]1C[N@@H+](CCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCO1 ZINC000725721462 657418384 /nfs/dbraw/zinc/41/83/84/657418384.db2.gz PVYJHPJPGXFSNB-LBPRGKRZSA-N 1 2 366.443 -0.438 20 30 FBEDLO C[C@H]1C[N@H+](CCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCO1 ZINC000725721462 657418380 /nfs/dbraw/zinc/41/83/80/657418380.db2.gz PVYJHPJPGXFSNB-LBPRGKRZSA-N 1 2 366.443 -0.438 20 30 FBEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCCCNC(C)=O)CC1 ZINC000729256656 659942869 /nfs/dbraw/zinc/94/28/69/659942869.db2.gz DHEIBLNJGUETER-UHFFFAOYSA-N 1 2 350.463 -0.033 20 30 FBEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCCCCNC(C)=O)CC1 ZINC000729256656 659942867 /nfs/dbraw/zinc/94/28/67/659942867.db2.gz DHEIBLNJGUETER-UHFFFAOYSA-N 1 2 350.463 -0.033 20 30 FBEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CNC(=O)c2ccsc2)CC1 ZINC000729281594 659946081 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/nfs/dbraw/zinc/18/22/01/660182201.db2.gz QFVYJTABQQIWHV-UHFFFAOYSA-N 1 2 364.471 -0.190 20 30 FBEDLO C#CCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000733340776 660347603 /nfs/dbraw/zinc/34/76/03/660347603.db2.gz HWXARFQPYDRKRZ-UHFFFAOYSA-N 1 2 365.459 -0.144 20 30 FBEDLO C=CCNC(=O)CN1CCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000734273221 660366207 /nfs/dbraw/zinc/36/62/07/660366207.db2.gz WPXDFVXFVNJGQZ-HNNXBMFYSA-N 1 2 353.467 -0.664 20 30 FBEDLO C=CCNC(=O)CN1CCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000734273221 660366205 /nfs/dbraw/zinc/36/62/05/660366205.db2.gz WPXDFVXFVNJGQZ-HNNXBMFYSA-N 1 2 353.467 -0.664 20 30 FBEDLO C=CCNC(=O)CN1CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000734273223 660366285 /nfs/dbraw/zinc/36/62/85/660366285.db2.gz WPXDFVXFVNJGQZ-OAHLLOKOSA-N 1 2 353.467 -0.664 20 30 FBEDLO C=CCNC(=O)CN1CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000734273223 660366284 /nfs/dbraw/zinc/36/62/84/660366284.db2.gz WPXDFVXFVNJGQZ-OAHLLOKOSA-N 1 2 353.467 -0.664 20 30 FBEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735381695 598808050 /nfs/dbraw/zinc/80/80/50/598808050.db2.gz PHCARNLUEVVSHT-UHFFFAOYSA-N 1 2 367.413 -0.236 20 30 FBEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735381695 598808048 /nfs/dbraw/zinc/80/80/48/598808048.db2.gz PHCARNLUEVVSHT-UHFFFAOYSA-N 1 2 367.413 -0.236 20 30 FBEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735382238 598808199 /nfs/dbraw/zinc/80/81/99/598808199.db2.gz WKWFTFSXTHFIDZ-UHFFFAOYSA-N 1 2 367.413 -0.236 20 30 FBEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735382238 598808197 /nfs/dbraw/zinc/80/81/97/598808197.db2.gz WKWFTFSXTHFIDZ-UHFFFAOYSA-N 1 2 367.413 -0.236 20 30 FBEDLO C=C(C)C[NH+]1CCC(Nc2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)CC1 ZINC000735398008 598362716 /nfs/dbraw/zinc/36/27/16/598362716.db2.gz DUNNRNILZFEHGL-UHFFFAOYSA-N 1 2 360.422 -0.284 20 30 FBEDLO C=CCNC(=O)C[NH+]1CCN(c2nc3ccccn3c2-c2nn[nH]n2)CC1 ZINC000735432859 598566013 /nfs/dbraw/zinc/56/60/13/598566013.db2.gz WSRGJHGIVBXLLO-UHFFFAOYSA-N 1 2 367.417 -0.061 20 30 FBEDLO C=C(Cl)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000736402157 660390023 /nfs/dbraw/zinc/39/00/23/660390023.db2.gz DGSGNHZHCWRXLG-UHFFFAOYSA-N 1 2 365.887 -0.442 20 30 FBEDLO NC(=O)CNC(=S)N[NH+]=Cc1c(N2CCOCC2)nc2ccccn21 ZINC000741809075 660565445 /nfs/dbraw/zinc/56/54/45/660565445.db2.gz FIRULIQNGKIDMO-UHFFFAOYSA-N 1 2 361.431 -0.546 20 30 FBEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[NH+]2CCC(O)(CC)CC2)c1=O ZINC000742175669 660530376 /nfs/dbraw/zinc/53/03/76/660530376.db2.gz KNMWEDVDQKGRFN-UHFFFAOYSA-N 1 2 350.419 -0.262 20 30 FBEDLO CC(=O)N1CC[NH+](CCNc2ccc(S(N)(=O)=O)cc2C#N)CC1 ZINC000742392041 660569428 /nfs/dbraw/zinc/56/94/28/660569428.db2.gz CMMIPAHVKMSAGI-UHFFFAOYSA-N 1 2 351.432 -0.218 20 30 FBEDLO C#CCCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000743691748 657619369 /nfs/dbraw/zinc/61/93/69/657619369.db2.gz AEELFOMMOAZLFQ-UHFFFAOYSA-N 1 2 357.480 -0.781 20 30 FBEDLO C=CCn1nnn(CN(CC[NH+]2CCOCC2)CC(=O)OC)c1=S ZINC000746380371 660591074 /nfs/dbraw/zinc/59/10/74/660591074.db2.gz RDKVNCGLYMGQLR-UHFFFAOYSA-N 1 2 356.452 -0.240 20 30 FBEDLO C#CCSCCNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000746414172 660591405 /nfs/dbraw/zinc/59/14/05/660591405.db2.gz FMUBUJVCPMZJQT-UHFFFAOYSA-N 1 2 365.459 -0.364 20 30 FBEDLO C#CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000748570157 660605399 /nfs/dbraw/zinc/60/53/99/660605399.db2.gz KTYRPEJYHAKOSY-UHFFFAOYSA-N 1 2 364.427 -0.560 20 30 FBEDLO C#CCN1CCN(C(=O)C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)CC1 ZINC000748814479 660606537 /nfs/dbraw/zinc/60/65/37/660606537.db2.gz CDBHKRUXZGUSOZ-UHFFFAOYSA-N 1 2 356.492 -0.880 20 30 FBEDLO C#CCN1CCN(C(=O)C[NH+]2CCC(NS(=O)(=O)CCC)CC2)CC1 ZINC000748814825 660606509 /nfs/dbraw/zinc/60/65/09/660606509.db2.gz FBRLWYCMRPZEDS-UHFFFAOYSA-N 1 2 370.519 -0.442 20 30 FBEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000748815091 660606529 /nfs/dbraw/zinc/60/65/29/660606529.db2.gz JJYIUOCWXAYSRB-HNNXBMFYSA-N 1 2 356.492 -0.833 20 30 FBEDLO C#CCN1CCN(C(=O)C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000748815091 660606528 /nfs/dbraw/zinc/60/65/28/660606528.db2.gz JJYIUOCWXAYSRB-HNNXBMFYSA-N 1 2 356.492 -0.833 20 30 FBEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000748815093 660606891 /nfs/dbraw/zinc/60/68/91/660606891.db2.gz JJYIUOCWXAYSRB-OAHLLOKOSA-N 1 2 356.492 -0.833 20 30 FBEDLO C#CCN1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000748815093 660606889 /nfs/dbraw/zinc/60/68/89/660606889.db2.gz JJYIUOCWXAYSRB-OAHLLOKOSA-N 1 2 356.492 -0.833 20 30 FBEDLO Cn1cc(C#N)c(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)n1 ZINC000750614993 660621222 /nfs/dbraw/zinc/62/12/22/660621222.db2.gz NUGTUYXWYABKFX-UHFFFAOYSA-N 1 2 354.436 -0.078 20 30 FBEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc(S(N)(=O)=O)cc1C#N ZINC000751232835 660628717 /nfs/dbraw/zinc/62/87/17/660628717.db2.gz DWMLCOLNZRFYML-CYBMUJFWSA-N 1 2 354.432 -0.665 20 30 FBEDLO 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CC#CCN1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094637274 840167918 /nfs/dbraw/zinc/16/79/18/840167918.db2.gz SMIDEVQYROHYEL-JKSUJKDBSA-N 1 2 353.488 -0.196 20 30 FBEDLO C#CCCN1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094637398 840169344 /nfs/dbraw/zinc/16/93/44/840169344.db2.gz ZEBQSKUFGHRRNO-JKSUJKDBSA-N 1 2 353.488 -0.196 20 30 FBEDLO C#CCCN1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094637398 840169339 /nfs/dbraw/zinc/16/93/39/840169339.db2.gz ZEBQSKUFGHRRNO-JKSUJKDBSA-N 1 2 353.488 -0.196 20 30 FBEDLO CC#CCN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094637973 840169200 /nfs/dbraw/zinc/16/92/00/840169200.db2.gz IXGDPDRMVQREGE-LUYZLQTOSA-N 1 2 362.455 -0.154 20 30 FBEDLO CC#CCN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094637973 840169194 /nfs/dbraw/zinc/16/91/94/840169194.db2.gz IXGDPDRMVQREGE-LUYZLQTOSA-N 1 2 362.455 -0.154 20 30 FBEDLO C#CCCN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094638308 840170476 /nfs/dbraw/zinc/17/04/76/840170476.db2.gz QTWVKEDTOMOYPT-LUYZLQTOSA-N 1 2 362.455 -0.154 20 30 FBEDLO C#CCCN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094638308 840170466 /nfs/dbraw/zinc/17/04/66/840170466.db2.gz QTWVKEDTOMOYPT-LUYZLQTOSA-N 1 2 362.455 -0.154 20 30 FBEDLO COc1cc[nH+]cc1CC(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094640437 840223099 /nfs/dbraw/zinc/22/30/99/840223099.db2.gz KIMRRZBZZKLKRO-UONOGXRCSA-N 1 2 364.427 -0.534 20 30 FBEDLO C#CCN1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094640987 840224837 /nfs/dbraw/zinc/22/48/37/840224837.db2.gz ZEHKVNQOXHEXOF-LSDHHAIUSA-N 1 2 363.439 -0.424 20 30 FBEDLO C#CCN1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094641023 840224865 /nfs/dbraw/zinc/22/48/65/840224865.db2.gz BAKPMEUMOYLLPE-QLFBSQMISA-N 1 2 362.455 -0.612 20 30 FBEDLO C#CCN1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094641024 840224435 /nfs/dbraw/zinc/22/44/35/840224435.db2.gz BAKPMEUMOYLLPE-SOUVJXGZSA-N 1 2 362.455 -0.612 20 30 FBEDLO N#CCN1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094641094 840224791 /nfs/dbraw/zinc/22/47/91/840224791.db2.gz CKZMSPOBDYKLPT-HZSPNIEDSA-N 1 2 363.443 -0.721 20 30 FBEDLO N#CCN1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094641098 840224130 /nfs/dbraw/zinc/22/41/30/840224130.db2.gz CKZMSPOBDYKLPT-MELADBBJSA-N 1 2 363.443 -0.721 20 30 FBEDLO C#CCN1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094641119 840224507 /nfs/dbraw/zinc/22/45/07/840224507.db2.gz CRABCCXKOSGYOS-QLFBSQMISA-N 1 2 362.455 -0.612 20 30 FBEDLO C#CCN1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094641120 840224588 /nfs/dbraw/zinc/22/45/88/840224588.db2.gz CRABCCXKOSGYOS-SOUVJXGZSA-N 1 2 362.455 -0.612 20 30 FBEDLO N#CCN1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094641403 840224909 /nfs/dbraw/zinc/22/49/09/840224909.db2.gz HSROTPPEYVHCKH-AEGPPILISA-N 1 2 363.443 -0.721 20 30 FBEDLO N#CCN1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094641404 840224653 /nfs/dbraw/zinc/22/46/53/840224653.db2.gz HSROTPPEYVHCKH-VHDGCEQUSA-N 1 2 363.443 -0.721 20 30 FBEDLO N#CCN1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094641445 840224039 /nfs/dbraw/zinc/22/40/39/840224039.db2.gz JPQZDQBGNNYDAQ-HZSPNIEDSA-N 1 2 363.443 -0.721 20 30 FBEDLO N#CCN1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094641446 840224327 /nfs/dbraw/zinc/22/43/27/840224327.db2.gz JPQZDQBGNNYDAQ-MELADBBJSA-N 1 2 363.443 -0.721 20 30 FBEDLO C=CCN1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094641455 840224181 /nfs/dbraw/zinc/22/41/81/840224181.db2.gz KBROXNGNBSJOGY-QLFBSQMISA-N 1 2 364.471 -0.059 20 30 FBEDLO C=CCN1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094641456 840224564 /nfs/dbraw/zinc/22/45/64/840224564.db2.gz KBROXNGNBSJOGY-SOUVJXGZSA-N 1 2 364.471 -0.059 20 30 FBEDLO C=CCN1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094641508 840225534 /nfs/dbraw/zinc/22/55/34/840225534.db2.gz LJUISIDKMRMNHS-QLFBSQMISA-N 1 2 364.471 -0.059 20 30 FBEDLO C=CCN1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094641509 840225389 /nfs/dbraw/zinc/22/53/89/840225389.db2.gz LJUISIDKMRMNHS-SOUVJXGZSA-N 1 2 364.471 -0.059 20 30 FBEDLO C=CCN1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094641523 840225847 /nfs/dbraw/zinc/22/58/47/840225847.db2.gz MAYSRCMYGSKJCD-CWRNSKLLSA-N 1 2 364.471 -0.059 20 30 FBEDLO C=CCN1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094641524 840225402 /nfs/dbraw/zinc/22/54/02/840225402.db2.gz MAYSRCMYGSKJCD-VNQPRFMTSA-N 1 2 364.471 -0.059 20 30 FBEDLO C#CCN1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094641655 840225923 /nfs/dbraw/zinc/22/59/23/840225923.db2.gz UGWFUJFDJDMMQB-CWRNSKLLSA-N 1 2 362.455 -0.612 20 30 FBEDLO C#CCN1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094641656 840225627 /nfs/dbraw/zinc/22/56/27/840225627.db2.gz UGWFUJFDJDMMQB-VNQPRFMTSA-N 1 2 362.455 -0.612 20 30 FBEDLO C#CCN1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094641671 840225680 /nfs/dbraw/zinc/22/56/80/840225680.db2.gz UTXFPAPHQDTMIE-CWRNSKLLSA-N 1 2 362.455 -0.612 20 30 FBEDLO C#CCN1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094641672 840225332 /nfs/dbraw/zinc/22/53/32/840225332.db2.gz UTXFPAPHQDTMIE-VNQPRFMTSA-N 1 2 362.455 -0.612 20 30 FBEDLO C=CCN1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094641685 840225773 /nfs/dbraw/zinc/22/57/73/840225773.db2.gz VHKPWLDVBXUMQZ-CWRNSKLLSA-N 1 2 364.471 -0.059 20 30 FBEDLO C=CCN1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094641686 840225746 /nfs/dbraw/zinc/22/57/46/840225746.db2.gz VHKPWLDVBXUMQZ-VNQPRFMTSA-N 1 2 364.471 -0.059 20 30 FBEDLO N#CCN1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094641705 840226753 /nfs/dbraw/zinc/22/67/53/840226753.db2.gz VZTNLKPUTDFDFE-AEGPPILISA-N 1 2 363.443 -0.721 20 30 FBEDLO N#CCN1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094641715 840226937 /nfs/dbraw/zinc/22/69/37/840226937.db2.gz VZTNLKPUTDFDFE-VHDGCEQUSA-N 1 2 363.443 -0.721 20 30 FBEDLO C#CCN1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094644632 840231593 /nfs/dbraw/zinc/23/15/93/840231593.db2.gz QIKPACJVRFTYIV-LSDHHAIUSA-N 1 2 358.423 -0.109 20 30 FBEDLO N#CCN1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094645138 840232027 /nfs/dbraw/zinc/23/20/27/840232027.db2.gz YRKIYCSADKZSHX-UONOGXRCSA-N 1 2 359.411 -0.219 20 30 FBEDLO N#CCN1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094647805 840233584 /nfs/dbraw/zinc/23/35/84/840233584.db2.gz FGXVOEKNGLOKSY-ARFHVFGLSA-N 1 2 366.487 -0.306 20 30 FBEDLO N#CCN1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094647806 840233279 /nfs/dbraw/zinc/23/32/79/840233279.db2.gz FGXVOEKNGLOKSY-XHSDSOJGSA-N 1 2 366.487 -0.306 20 30 FBEDLO C#CCN1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094648267 840233105 /nfs/dbraw/zinc/23/31/05/840233105.db2.gz QJYXLPVVXJCXKZ-BBWFWOEESA-N 1 2 365.499 -0.196 20 30 FBEDLO C#CCN1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094648268 840233534 /nfs/dbraw/zinc/23/35/34/840233534.db2.gz QJYXLPVVXJCXKZ-GVDBMIGSSA-N 1 2 365.499 -0.196 20 30 FBEDLO CC#CCN1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094649028 840234235 /nfs/dbraw/zinc/23/42/35/840234235.db2.gz ABEUDOSFJIFJTQ-LSDHHAIUSA-N 1 2 364.471 -0.314 20 30 FBEDLO Cn1cc[nH+]c1CCC(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094649130 840234678 /nfs/dbraw/zinc/23/46/78/840234678.db2.gz DGYVZNQPEHIUMZ-QWHCGFSZSA-N 1 2 351.432 -0.814 20 30 FBEDLO C#CCN1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094649146 840234369 /nfs/dbraw/zinc/23/43/69/840234369.db2.gz DVFNQZSQYLEMDZ-UONOGXRCSA-N 1 2 350.444 -0.704 20 30 FBEDLO C#CCCN1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094650112 840235623 /nfs/dbraw/zinc/23/56/23/840235623.db2.gz RIGUTXHNRXJKGL-LSDHHAIUSA-N 1 2 364.471 -0.314 20 30 FBEDLO C=CCN1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094650548 840235597 /nfs/dbraw/zinc/23/55/97/840235597.db2.gz XCRVVNHFRKQQGC-UONOGXRCSA-N 1 2 352.460 -0.152 20 30 FBEDLO C#CCCN1CCN(C(=O)CCn2cc[nH+]c2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094651275 840236445 /nfs/dbraw/zinc/23/64/45/840236445.db2.gz MBGGGEQFUBMPFF-LSDHHAIUSA-N 1 2 350.444 -0.394 20 30 FBEDLO CC#CCN1CCN(C(=O)CCn2cc[nH+]c2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094651369 840236089 /nfs/dbraw/zinc/23/60/89/840236089.db2.gz PNEARFWSAXTSOG-LSDHHAIUSA-N 1 2 350.444 -0.394 20 30 FBEDLO N#CCN1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094657909 840195203 /nfs/dbraw/zinc/19/52/03/840195203.db2.gz JGOOLJAROQPAFE-FPMFFAJLSA-N 1 2 363.443 -0.337 20 30 FBEDLO N#CCN1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094657910 840196153 /nfs/dbraw/zinc/19/61/53/840196153.db2.gz JGOOLJAROQPAFE-KWCYVHTRSA-N 1 2 363.443 -0.337 20 30 FBEDLO C#CCN1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094658398 840196242 /nfs/dbraw/zinc/19/62/42/840196242.db2.gz RZTNQBFIBXDSCR-AEGPPILISA-N 1 2 362.455 -0.227 20 30 FBEDLO C#CCN1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094658399 840196358 /nfs/dbraw/zinc/19/63/58/840196358.db2.gz RZTNQBFIBXDSCR-VHDGCEQUSA-N 1 2 362.455 -0.227 20 30 FBEDLO CC#CCN1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094658959 840196050 /nfs/dbraw/zinc/19/60/50/840196050.db2.gz AMQTVMVFPQQPTN-HRCADAONSA-N 1 2 353.488 -0.339 20 30 FBEDLO CC#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094658959 840196044 /nfs/dbraw/zinc/19/60/44/840196044.db2.gz AMQTVMVFPQQPTN-HRCADAONSA-N 1 2 353.488 -0.339 20 30 FBEDLO CC#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094658960 840196465 /nfs/dbraw/zinc/19/64/65/840196465.db2.gz AMQTVMVFPQQPTN-OWCLPIDISA-N 1 2 353.488 -0.339 20 30 FBEDLO CC#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094658960 840196459 /nfs/dbraw/zinc/19/64/59/840196459.db2.gz AMQTVMVFPQQPTN-OWCLPIDISA-N 1 2 353.488 -0.339 20 30 FBEDLO C#CCCN1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094659999 840199768 /nfs/dbraw/zinc/19/97/68/840199768.db2.gz YXWQSJSLYLRSIG-HRCADAONSA-N 1 2 353.488 -0.339 20 30 FBEDLO C#CCCN1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094659999 840199757 /nfs/dbraw/zinc/19/97/57/840199757.db2.gz YXWQSJSLYLRSIG-HRCADAONSA-N 1 2 353.488 -0.339 20 30 FBEDLO C#CCCN1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094660000 840199792 /nfs/dbraw/zinc/19/97/92/840199792.db2.gz YXWQSJSLYLRSIG-OWCLPIDISA-N 1 2 353.488 -0.339 20 30 FBEDLO C#CCCN1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094660000 840199788 /nfs/dbraw/zinc/19/97/88/840199788.db2.gz YXWQSJSLYLRSIG-OWCLPIDISA-N 1 2 353.488 -0.339 20 30 FBEDLO C#CCN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094660634 840199870 /nfs/dbraw/zinc/19/98/70/840199870.db2.gz ITVJBFPLOSMQNZ-LUYZLQTOSA-N 1 2 362.455 -0.533 20 30 FBEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094660794 840201017 /nfs/dbraw/zinc/20/10/17/840201017.db2.gz ODSAOXYYSCJYRI-RJZRQDKASA-N 1 2 363.443 -0.643 20 30 FBEDLO C#CCN1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094663996 840202889 /nfs/dbraw/zinc/20/28/89/840202889.db2.gz CGGADSKUVCZEDB-QLFBSQMISA-N 1 2 350.444 -0.223 20 30 FBEDLO C#CCN1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094663997 840202782 /nfs/dbraw/zinc/20/27/82/840202782.db2.gz CGGADSKUVCZEDB-SOUVJXGZSA-N 1 2 350.444 -0.223 20 30 FBEDLO C[C@H](CC(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21)n1cc[nH+]c1 ZINC001094664799 840203503 /nfs/dbraw/zinc/20/35/03/840203503.db2.gz ONOJEVVPDGICQO-HZSPNIEDSA-N 1 2 351.432 -0.332 20 30 FBEDLO C[C@@H](CC(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21)n1cc[nH+]c1 ZINC001094664802 840203134 /nfs/dbraw/zinc/20/31/34/840203134.db2.gz ONOJEVVPDGICQO-MELADBBJSA-N 1 2 351.432 -0.332 20 30 FBEDLO C#CCCN1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094666947 840206456 /nfs/dbraw/zinc/20/64/56/840206456.db2.gz FFLAKXLOSHYPIE-CWRNSKLLSA-N 1 2 364.471 -0.079 20 30 FBEDLO C#CCCN1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094666947 840206444 /nfs/dbraw/zinc/20/64/44/840206444.db2.gz FFLAKXLOSHYPIE-CWRNSKLLSA-N 1 2 364.471 -0.079 20 30 FBEDLO C#CCCN1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094666948 840206788 /nfs/dbraw/zinc/20/67/88/840206788.db2.gz FFLAKXLOSHYPIE-VNQPRFMTSA-N 1 2 364.471 -0.079 20 30 FBEDLO C#CCCN1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094666948 840206773 /nfs/dbraw/zinc/20/67/73/840206773.db2.gz FFLAKXLOSHYPIE-VNQPRFMTSA-N 1 2 364.471 -0.079 20 30 FBEDLO CC#CCN1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094667289 840207582 /nfs/dbraw/zinc/20/75/82/840207582.db2.gz LJWGXPFQKOGQGW-CWRNSKLLSA-N 1 2 364.471 -0.079 20 30 FBEDLO CC#CCN1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094667289 840207581 /nfs/dbraw/zinc/20/75/81/840207581.db2.gz LJWGXPFQKOGQGW-CWRNSKLLSA-N 1 2 364.471 -0.079 20 30 FBEDLO CC#CCN1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094667290 840207333 /nfs/dbraw/zinc/20/73/33/840207333.db2.gz LJWGXPFQKOGQGW-VNQPRFMTSA-N 1 2 364.471 -0.079 20 30 FBEDLO CC#CCN1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094667290 840207321 /nfs/dbraw/zinc/20/73/21/840207321.db2.gz LJWGXPFQKOGQGW-VNQPRFMTSA-N 1 2 364.471 -0.079 20 30 FBEDLO C#CCN1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094667356 840207987 /nfs/dbraw/zinc/20/79/87/840207987.db2.gz NWIIQRZNHVBLGO-AEGPPILISA-N 1 2 350.444 -0.469 20 30 FBEDLO C#CCN1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094667356 840207980 /nfs/dbraw/zinc/20/79/80/840207980.db2.gz NWIIQRZNHVBLGO-AEGPPILISA-N 1 2 350.444 -0.469 20 30 FBEDLO C#CCN1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094667358 840207796 /nfs/dbraw/zinc/20/77/96/840207796.db2.gz NWIIQRZNHVBLGO-VHDGCEQUSA-N 1 2 350.444 -0.469 20 30 FBEDLO C#CCN1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094667358 840207786 /nfs/dbraw/zinc/20/77/86/840207786.db2.gz NWIIQRZNHVBLGO-VHDGCEQUSA-N 1 2 350.444 -0.469 20 30 FBEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094667879 840207644 /nfs/dbraw/zinc/20/76/44/840207644.db2.gz WKNBKNHYVMLGIH-FPMFFAJLSA-N 1 2 351.432 -0.578 20 30 FBEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094667879 840207630 /nfs/dbraw/zinc/20/76/30/840207630.db2.gz WKNBKNHYVMLGIH-FPMFFAJLSA-N 1 2 351.432 -0.578 20 30 FBEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094667880 840208132 /nfs/dbraw/zinc/20/81/32/840208132.db2.gz WKNBKNHYVMLGIH-KWCYVHTRSA-N 1 2 351.432 -0.578 20 30 FBEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094667880 840208126 /nfs/dbraw/zinc/20/81/26/840208126.db2.gz WKNBKNHYVMLGIH-KWCYVHTRSA-N 1 2 351.432 -0.578 20 30 FBEDLO C=C(C)CN1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094674354 840217325 /nfs/dbraw/zinc/21/73/25/840217325.db2.gz JNQMNFRDXMRYLJ-LSDHHAIUSA-N 1 2 352.460 -0.152 20 30 FBEDLO C=CCCN1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094674389 840217641 /nfs/dbraw/zinc/21/76/41/840217641.db2.gz LDJVBWMBRMXIOC-LSDHHAIUSA-N 1 2 352.460 -0.152 20 30 FBEDLO CC#CCN1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094674467 840216900 /nfs/dbraw/zinc/21/69/00/840216900.db2.gz PHHWKDFZAJDDSX-LSDHHAIUSA-N 1 2 350.444 -0.704 20 30 FBEDLO C#CCCN1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094674485 840218666 /nfs/dbraw/zinc/21/86/66/840218666.db2.gz QDCLAUFVWKWRNA-LSDHHAIUSA-N 1 2 350.444 -0.704 20 30 FBEDLO C#CCCN1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094677145 840221692 /nfs/dbraw/zinc/22/16/92/840221692.db2.gz XWTZEUSAXALTPV-LSDHHAIUSA-N 1 2 350.444 -0.406 20 30 FBEDLO CC#CCN1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094677192 840221560 /nfs/dbraw/zinc/22/15/60/840221560.db2.gz ZNTPDLQIWFKXAB-LSDHHAIUSA-N 1 2 350.444 -0.406 20 30 FBEDLO Cn1c[nH+]cc1CCC(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094677516 840222264 /nfs/dbraw/zinc/22/22/64/840222264.db2.gz IQBPULTYERKEKQ-UONOGXRCSA-N 1 2 351.432 -0.814 20 30 FBEDLO C=CCN1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094677634 840222314 /nfs/dbraw/zinc/22/23/14/840222314.db2.gz KLYGGBKYACVJFN-LSDHHAIUSA-N 1 2 352.460 -0.152 20 30 FBEDLO CC#CCN1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094677645 840228430 /nfs/dbraw/zinc/22/84/30/840228430.db2.gz KSIWEMXDLZRNJH-JKSUJKDBSA-N 1 2 364.471 -0.314 20 30 FBEDLO C#CCN1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094677706 840239057 /nfs/dbraw/zinc/23/90/57/840239057.db2.gz MVHLXUYZGZBXKH-LSDHHAIUSA-N 1 2 350.444 -0.704 20 30 FBEDLO C#CCCN1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094678027 840218279 /nfs/dbraw/zinc/21/82/79/840218279.db2.gz UDOYDRJLBBWVKH-JKSUJKDBSA-N 1 2 364.471 -0.314 20 30 FBEDLO C#CC[NH+]1CCC(C(=O)N2CCN(CC=C)[C@H]3CS(=O)(=O)C[C@H]32)CC1 ZINC001094681977 840248468 /nfs/dbraw/zinc/24/84/68/840248468.db2.gz IIHUNHSKWZFIHY-DLBZAZTESA-N 1 2 365.499 -0.173 20 30 FBEDLO C#CC[NH+]1CCC(C(=O)N2CCN(CCF)[C@H]3CS(=O)(=O)C[C@H]32)CC1 ZINC001094681979 840247974 /nfs/dbraw/zinc/24/79/74/840247974.db2.gz IJHTWZPUZNDHPT-JKSUJKDBSA-N 1 2 371.478 -0.389 20 30 FBEDLO C#CCN1CCN(C(=O)C2CC[NH+](CC#C)CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094682062 840248411 /nfs/dbraw/zinc/24/84/11/840248411.db2.gz LVDRXAVXPUVBBI-DLBZAZTESA-N 1 2 363.483 -0.725 20 30 FBEDLO C#CC[NH+]1CCC(C(=O)N2CCN(CC)[C@H]3CS(=O)(=O)C[C@H]32)CC1 ZINC001094682063 840248307 /nfs/dbraw/zinc/24/83/07/840248307.db2.gz LYBSXIKDXBSBEM-JKSUJKDBSA-N 1 2 353.488 -0.339 20 30 FBEDLO C#CC[NH+]1CCC(C(=O)N2CCN(CC#N)[C@H]3CS(=O)(=O)C[C@H]32)CC1 ZINC001094682645 840248961 /nfs/dbraw/zinc/24/89/61/840248961.db2.gz ZFYKHHUNTDXEAO-JKSUJKDBSA-N 1 2 364.471 -0.835 20 30 FBEDLO C=C(Cl)CN1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094683874 840250800 /nfs/dbraw/zinc/25/08/00/840250800.db2.gz LSTCXJAUXZBCPP-QWHCGFSZSA-N 1 2 358.851 -0.055 20 30 FBEDLO C=CCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2=O)C1 ZINC001094749306 840254366 /nfs/dbraw/zinc/25/43/66/840254366.db2.gz OPZBLKBNWMSBGN-IIAWOOMASA-N 1 2 350.463 -0.317 20 30 FBEDLO C=CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2=O)C1 ZINC001094749307 840253987 /nfs/dbraw/zinc/25/39/87/840253987.db2.gz OPZBLKBNWMSBGN-IJEWVQPXSA-N 1 2 350.463 -0.317 20 30 FBEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094792268 840255940 /nfs/dbraw/zinc/25/59/40/840255940.db2.gz OGLNPMFLUCYVGR-KMFMINBZSA-N 1 2 351.447 -0.249 20 30 FBEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001094792269 840256204 /nfs/dbraw/zinc/25/62/04/840256204.db2.gz OGLNPMFLUCYVGR-QRTARXTBSA-N 1 2 351.447 -0.249 20 30 FBEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)C2 ZINC001096098959 842120847 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OVCSKHVWXQIUCM-PMPSAXMXSA-N 1 2 362.455 -0.053 20 30 FBEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1S(N)(=O)=O)C2 ZINC001109701889 839425264 /nfs/dbraw/zinc/42/52/64/839425264.db2.gz KQNDUNFIXSCDRZ-WXHSDQCUSA-N 1 2 367.431 -0.958 20 30 FBEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1S(N)(=O)=O)C2 ZINC001109701889 839425259 /nfs/dbraw/zinc/42/52/59/839425259.db2.gz KQNDUNFIXSCDRZ-WXHSDQCUSA-N 1 2 367.431 -0.958 20 30 FBEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001109714602 839425592 /nfs/dbraw/zinc/42/55/92/839425592.db2.gz QBGJNGCPUMFXOI-IKOXMDCHSA-N 1 2 350.419 -0.957 20 30 FBEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001109714602 839425589 /nfs/dbraw/zinc/42/55/89/839425589.db2.gz QBGJNGCPUMFXOI-IKOXMDCHSA-N 1 2 350.419 -0.957 20 30 FBEDLO Cn1cc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)c(Cl)n1 ZINC001109717241 839425293 /nfs/dbraw/zinc/42/52/93/839425293.db2.gz HLDRJIZZEXWGQI-AGIUHOORSA-N 1 2 364.837 -0.023 20 30 FBEDLO Cn1cc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)c(Cl)n1 ZINC001109717241 839425285 /nfs/dbraw/zinc/42/52/85/839425285.db2.gz HLDRJIZZEXWGQI-AGIUHOORSA-N 1 2 364.837 -0.023 20 30 FBEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC ZINC001109735411 839427634 /nfs/dbraw/zinc/42/76/34/839427634.db2.gz FUHFNSNXYNIEGE-DGTMBMJNSA-N 1 2 350.419 -0.245 20 30 FBEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC ZINC001109735411 839427624 /nfs/dbraw/zinc/42/76/24/839427624.db2.gz FUHFNSNXYNIEGE-DGTMBMJNSA-N 1 2 350.419 -0.245 20 30 FBEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O ZINC001109735447 839427944 /nfs/dbraw/zinc/42/79/44/839427944.db2.gz HBWBBFASHNITOB-MRLBHPIUSA-N 1 2 357.476 -0.152 20 30 FBEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O ZINC001109735447 839427937 /nfs/dbraw/zinc/42/79/37/839427937.db2.gz HBWBBFASHNITOB-MRLBHPIUSA-N 1 2 357.476 -0.152 20 30 FBEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc(Cl)cn1)C2 ZINC001109765791 839430913 /nfs/dbraw/zinc/43/09/13/839430913.db2.gz ARQPZEKLUZXLDG-AGIUHOORSA-N 1 2 350.810 -0.102 20 30 FBEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc(Cl)cn1)C2 ZINC001109765791 839430907 /nfs/dbraw/zinc/43/09/07/839430907.db2.gz ARQPZEKLUZXLDG-AGIUHOORSA-N 1 2 350.810 -0.102 20 30 FBEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C2 ZINC001109771241 839431655 /nfs/dbraw/zinc/43/16/55/839431655.db2.gz SLCAVNOONKCIMQ-WOPDTQHZSA-N 1 2 350.872 -0.144 20 30 FBEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C2 ZINC001109771241 839431648 /nfs/dbraw/zinc/43/16/48/839431648.db2.gz SLCAVNOONKCIMQ-WOPDTQHZSA-N 1 2 350.872 -0.144 20 30 FBEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CCOCC1)C2 ZINC001109783089 839433336 /nfs/dbraw/zinc/43/33/36/839433336.db2.gz ZTJKQLCYJWTKLV-SNPRPXQTSA-N 1 2 350.419 -0.457 20 30 FBEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CCOCC1)C2 ZINC001109783089 839433330 /nfs/dbraw/zinc/43/33/30/839433330.db2.gz ZTJKQLCYJWTKLV-SNPRPXQTSA-N 1 2 350.419 -0.457 20 30 FBEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@@H]1CCOC1)C2 ZINC001109788238 839433745 /nfs/dbraw/zinc/43/37/45/839433745.db2.gz DCJKZGAGBJRYCM-KBXIAJHMSA-N 1 2 350.419 -0.599 20 30 FBEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@@H]1CCOC1)C2 ZINC001109788238 839433741 /nfs/dbraw/zinc/43/37/41/839433741.db2.gz DCJKZGAGBJRYCM-KBXIAJHMSA-N 1 2 350.419 -0.599 20 30 FBEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@H]1CCOC1)C2 ZINC001109788239 839433802 /nfs/dbraw/zinc/43/38/02/839433802.db2.gz DCJKZGAGBJRYCM-XGUBFFRZSA-N 1 2 350.419 -0.599 20 30 FBEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@H]1CCOC1)C2 ZINC001109788239 839433795 /nfs/dbraw/zinc/43/37/95/839433795.db2.gz DCJKZGAGBJRYCM-XGUBFFRZSA-N 1 2 350.419 -0.599 20 30 FBEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)C2 ZINC001109810813 839436321 /nfs/dbraw/zinc/43/63/21/839436321.db2.gz DIEHBCXTJAVOPH-AGIUHOORSA-N 1 2 372.491 -0.662 20 30 FBEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)C2 ZINC001109810813 839436315 /nfs/dbraw/zinc/43/63/15/839436315.db2.gz DIEHBCXTJAVOPH-AGIUHOORSA-N 1 2 372.491 -0.662 20 30 FBEDLO C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNS(C)(=O)=O)nn1 ZINC001109814045 839437693 /nfs/dbraw/zinc/43/76/93/839437693.db2.gz IZGKUMQRMNGKRB-DYEKYZERSA-N 1 2 368.463 -0.652 20 30 FBEDLO C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNS(C)(=O)=O)nn1 ZINC001109814045 839437685 /nfs/dbraw/zinc/43/76/85/839437685.db2.gz IZGKUMQRMNGKRB-DYEKYZERSA-N 1 2 368.463 -0.652 20 30 FBEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCN(C)S1(=O)=O)C2 ZINC001109823487 839439245 /nfs/dbraw/zinc/43/92/45/839439245.db2.gz YDRKQKZREGODCZ-CBBWQLFWSA-N 1 2 355.460 -0.608 20 30 FBEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCN(C)S1(=O)=O)C2 ZINC001109823487 839439234 /nfs/dbraw/zinc/43/92/34/839439234.db2.gz YDRKQKZREGODCZ-CBBWQLFWSA-N 1 2 355.460 -0.608 20 30 FBEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCN(C)S1(=O)=O)C2 ZINC001109823488 839439986 /nfs/dbraw/zinc/43/99/86/839439986.db2.gz YDRKQKZREGODCZ-QPSCCSFWSA-N 1 2 355.460 -0.608 20 30 FBEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCN(C)S1(=O)=O)C2 ZINC001109823488 839439983 /nfs/dbraw/zinc/43/99/83/839439983.db2.gz YDRKQKZREGODCZ-QPSCCSFWSA-N 1 2 355.460 -0.608 20 30 FBEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001109826405 839437746 /nfs/dbraw/zinc/43/77/46/839437746.db2.gz HAJPZWQABAPQBS-MCZMQQNQSA-N 1 2 350.419 -0.116 20 30 FBEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001109826405 839437739 /nfs/dbraw/zinc/43/77/39/839437739.db2.gz HAJPZWQABAPQBS-MCZMQQNQSA-N 1 2 350.419 -0.116 20 30 FBEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(=O)NCC(F)(F)F)C2 ZINC001109899035 839446427 /nfs/dbraw/zinc/44/64/27/839446427.db2.gz NUNLSZREPWSVAX-VWYCJHECSA-N 1 2 362.352 -0.311 20 30 FBEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(=O)NCC(F)(F)F)C2 ZINC001109899035 839446424 /nfs/dbraw/zinc/44/64/24/839446424.db2.gz NUNLSZREPWSVAX-VWYCJHECSA-N 1 2 362.352 -0.311 20 30 FBEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(=O)Cn1cnnn1)C2 ZINC001109944510 839448558 /nfs/dbraw/zinc/44/85/58/839448558.db2.gz KGUBSZOGPGSVHZ-RNJOBUHISA-N 1 2 367.841 -0.348 20 30 FBEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(=O)Cn1cnnn1)C2 ZINC001109944510 839448550 /nfs/dbraw/zinc/44/85/50/839448550.db2.gz KGUBSZOGPGSVHZ-RNJOBUHISA-N 1 2 367.841 -0.348 20 30 FBEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCOCCCOC)C2 ZINC001109946841 839450933 /nfs/dbraw/zinc/45/09/33/839450933.db2.gz AXUJMWBCZARGQK-PMPSAXMXSA-N 1 2 351.447 -0.100 20 30 FBEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCOCCCOC)C2 ZINC001109946841 839450924 /nfs/dbraw/zinc/45/09/24/839450924.db2.gz AXUJMWBCZARGQK-PMPSAXMXSA-N 1 2 351.447 -0.100 20 30 FBEDLO COCCCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001109947201 839451282 /nfs/dbraw/zinc/45/12/82/839451282.db2.gz SVWUDDMGURFWAA-ILXRZTDVSA-N 1 2 352.435 -0.209 20 30 FBEDLO COCCCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001109947201 839451277 /nfs/dbraw/zinc/45/12/77/839451277.db2.gz SVWUDDMGURFWAA-ILXRZTDVSA-N 1 2 352.435 -0.209 20 30 FBEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)NC(=O)Cn1cnnn1)C2 ZINC001109961022 839450456 /nfs/dbraw/zinc/45/04/56/839450456.db2.gz KGUBSZOGPGSVHZ-NDBYEHHHSA-N 1 2 367.841 -0.348 20 30 FBEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)NC(=O)Cn1cnnn1)C2 ZINC001109961022 839450450 /nfs/dbraw/zinc/45/04/50/839450450.db2.gz KGUBSZOGPGSVHZ-NDBYEHHHSA-N 1 2 367.841 -0.348 20 30 FBEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNS(C)(=O)=O)nc1 ZINC001109998430 839454390 /nfs/dbraw/zinc/45/43/90/839454390.db2.gz YNSYJUICFRPYGJ-KBMXLJTQSA-N 1 2 362.455 -0.053 20 30 FBEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNS(C)(=O)=O)nc1 ZINC001109998430 839454385 /nfs/dbraw/zinc/45/43/85/839454385.db2.gz YNSYJUICFRPYGJ-KBMXLJTQSA-N 1 2 362.455 -0.053 20 30 FBEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNS(C)(=O)=O)cn1 ZINC001110001338 839454870 /nfs/dbraw/zinc/45/48/70/839454870.db2.gz XFERDSUYIRUZOQ-PMPSAXMXSA-N 1 2 362.455 -0.053 20 30 FBEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNS(C)(=O)=O)cn1 ZINC001110001338 839454866 /nfs/dbraw/zinc/45/48/66/839454866.db2.gz XFERDSUYIRUZOQ-PMPSAXMXSA-N 1 2 362.455 -0.053 20 30 FBEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCC)NC(N)=O)C2 ZINC001110037566 839457987 /nfs/dbraw/zinc/45/79/87/839457987.db2.gz QLUOSPCLXBIACL-MQYQWHSLSA-N 1 2 351.451 -0.153 20 30 FBEDLO 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ZINC001110553448 841699915 /nfs/dbraw/zinc/69/99/15/841699915.db2.gz POYQBKTUGGJBKB-MCIONIFRSA-N 1 2 350.419 -0.407 20 30 FBEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001110574538 841723859 /nfs/dbraw/zinc/72/38/59/841723859.db2.gz WRMPRNUVRRDKAA-POQQGIQPSA-N 1 2 350.419 -0.116 20 30 FBEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001110574538 841723852 /nfs/dbraw/zinc/72/38/52/841723852.db2.gz WRMPRNUVRRDKAA-POQQGIQPSA-N 1 2 350.419 -0.116 20 30 FBEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC)C2 ZINC001110583679 841729910 /nfs/dbraw/zinc/72/99/10/841729910.db2.gz HIZFLFCNSJRFME-DGAVXFQQSA-N 1 2 372.491 -0.662 20 30 FBEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC)C2 ZINC001110583679 841729908 /nfs/dbraw/zinc/72/99/08/841729908.db2.gz HIZFLFCNSJRFME-DGAVXFQQSA-N 1 2 372.491 -0.662 20 30 FBEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)C2 ZINC001110583680 841729846 /nfs/dbraw/zinc/72/98/46/841729846.db2.gz HIZFLFCNSJRFME-SYQHCUMBSA-N 1 2 372.491 -0.662 20 30 FBEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)C2 ZINC001110583680 841729840 /nfs/dbraw/zinc/72/98/40/841729840.db2.gz HIZFLFCNSJRFME-SYQHCUMBSA-N 1 2 372.491 -0.662 20 30 FBEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(=O)COC)C2 ZINC001110588411 841730792 /nfs/dbraw/zinc/73/07/92/841730792.db2.gz IYQYOKPZOFQXAA-DGAVXFQQSA-N 1 2 352.435 -0.839 20 30 FBEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(=O)COC)C2 ZINC001110588411 841730788 /nfs/dbraw/zinc/73/07/88/841730788.db2.gz IYQYOKPZOFQXAA-DGAVXFQQSA-N 1 2 352.435 -0.839 20 30 FBEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NC(=O)COC)C2 ZINC001110588412 841730833 /nfs/dbraw/zinc/73/08/33/841730833.db2.gz IYQYOKPZOFQXAA-SYQHCUMBSA-N 1 2 352.435 -0.839 20 30 FBEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NC(=O)COC)C2 ZINC001110588412 841730830 /nfs/dbraw/zinc/73/08/30/841730830.db2.gz IYQYOKPZOFQXAA-SYQHCUMBSA-N 1 2 352.435 -0.839 20 30 FBEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCNS(C)(=O)=O ZINC001110678752 841749352 /nfs/dbraw/zinc/74/93/52/841749352.db2.gz FYRLHXASSVKSRQ-WCVJEAGWSA-N 1 2 368.503 -0.645 20 30 FBEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCNS(C)(=O)=O ZINC001110678752 841749344 /nfs/dbraw/zinc/74/93/44/841749344.db2.gz FYRLHXASSVKSRQ-WCVJEAGWSA-N 1 2 368.503 -0.645 20 30 FBEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1coc(S(N)(=O)=O)c1)C2 ZINC001110732685 841757120 /nfs/dbraw/zinc/75/71/20/841757120.db2.gz QOQYXAILMZFZSZ-MCIONIFRSA-N 1 2 367.427 -0.088 20 30 FBEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1coc(S(N)(=O)=O)c1)C2 ZINC001110732685 841757117 /nfs/dbraw/zinc/75/71/17/841757117.db2.gz QOQYXAILMZFZSZ-MCIONIFRSA-N 1 2 367.427 -0.088 20 30 FBEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COCCN1CC)C2 ZINC001110747382 841759134 /nfs/dbraw/zinc/75/91/34/841759134.db2.gz OQLPXRWVBOGILZ-LVQVYYBASA-N 1 2 350.463 -0.269 20 30 FBEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COCCN1CC)C2 ZINC001110747382 841759129 /nfs/dbraw/zinc/75/91/29/841759129.db2.gz OQLPXRWVBOGILZ-LVQVYYBASA-N 1 2 350.463 -0.269 20 30 FBEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COCCN1CC)C2 ZINC001110747385 841759215 /nfs/dbraw/zinc/75/92/15/841759215.db2.gz OQLPXRWVBOGILZ-WCVJEAGWSA-N 1 2 350.463 -0.269 20 30 FBEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COCCN1CC)C2 ZINC001110747385 841759207 /nfs/dbraw/zinc/75/92/07/841759207.db2.gz OQLPXRWVBOGILZ-WCVJEAGWSA-N 1 2 350.463 -0.269 20 30 FBEDLO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)NCC(F)F)C2 ZINC001110750846 841758765 /nfs/dbraw/zinc/75/87/65/841758765.db2.gz DLSYIDLMVYVRRK-KKOKHZNYSA-N 1 2 358.389 -0.220 20 30 FBEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)NCC(F)F)C2 ZINC001110750846 841758757 /nfs/dbraw/zinc/75/87/57/841758757.db2.gz DLSYIDLMVYVRRK-KKOKHZNYSA-N 1 2 358.389 -0.220 20 30 FBEDLO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)NCC(F)F)C2 ZINC001110750847 841758896 /nfs/dbraw/zinc/75/88/96/841758896.db2.gz DLSYIDLMVYVRRK-QCNOEVLYSA-N 1 2 358.389 -0.220 20 30 FBEDLO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)NCC(F)F)C2 ZINC001110750847 841758888 /nfs/dbraw/zinc/75/88/88/841758888.db2.gz DLSYIDLMVYVRRK-QCNOEVLYSA-N 1 2 358.389 -0.220 20 30 FBEDLO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)NCC(F)F)C2 ZINC001110750917 841758486 /nfs/dbraw/zinc/75/84/86/841758486.db2.gz HTOIWGZREWFFOA-KKOKHZNYSA-N 1 2 356.373 -0.773 20 30 FBEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)NCC(F)F)C2 ZINC001110750917 841758473 /nfs/dbraw/zinc/75/84/73/841758473.db2.gz HTOIWGZREWFFOA-KKOKHZNYSA-N 1 2 356.373 -0.773 20 30 FBEDLO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)NCC(F)F)C2 ZINC001110750918 841758557 /nfs/dbraw/zinc/75/85/57/841758557.db2.gz HTOIWGZREWFFOA-QCNOEVLYSA-N 1 2 356.373 -0.773 20 30 FBEDLO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)NCC(F)F)C2 ZINC001110750918 841758544 /nfs/dbraw/zinc/75/85/44/841758544.db2.gz HTOIWGZREWFFOA-QCNOEVLYSA-N 1 2 356.373 -0.773 20 30 FBEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(S(N)(=O)=O)o1)C2 ZINC001110765649 841761134 /nfs/dbraw/zinc/76/11/34/841761134.db2.gz KFGIVDXZNYHFIZ-UPJWGTAASA-N 1 2 367.427 -0.088 20 30 FBEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(S(N)(=O)=O)o1)C2 ZINC001110765649 841761127 /nfs/dbraw/zinc/76/11/27/841761127.db2.gz KFGIVDXZNYHFIZ-UPJWGTAASA-N 1 2 367.427 -0.088 20 30 FBEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCNC(N)=O)C2 ZINC001110781500 841762585 /nfs/dbraw/zinc/76/25/85/841762585.db2.gz VBICIORRJGRFEE-UPJWGTAASA-N 1 2 350.423 -0.814 20 30 FBEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCNC(N)=O)C2 ZINC001110781500 841762580 /nfs/dbraw/zinc/76/25/80/841762580.db2.gz VBICIORRJGRFEE-UPJWGTAASA-N 1 2 350.423 -0.814 20 30 FBEDLO CCC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#CCOC)S(N)(=O)=O ZINC001110857007 841817004 /nfs/dbraw/zinc/81/70/04/841817004.db2.gz YCVZTQHVGZNDOH-APIJFGDWSA-N 1 2 357.476 -0.185 20 30 FBEDLO CCC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#CCOC)S(N)(=O)=O ZINC001110857007 841816997 /nfs/dbraw/zinc/81/69/97/841816997.db2.gz YCVZTQHVGZNDOH-APIJFGDWSA-N 1 2 357.476 -0.185 20 30 FBEDLO CCC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#CCOC)S(N)(=O)=O ZINC001110857008 841818016 /nfs/dbraw/zinc/81/80/16/841818016.db2.gz YCVZTQHVGZNDOH-KBXIAJHMSA-N 1 2 357.476 -0.185 20 30 FBEDLO CCC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#CCOC)S(N)(=O)=O ZINC001110857008 841818011 /nfs/dbraw/zinc/81/80/11/841818011.db2.gz YCVZTQHVGZNDOH-KBXIAJHMSA-N 1 2 357.476 -0.185 20 30 FBEDLO COC[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)CCOC1 ZINC001110863675 841822664 /nfs/dbraw/zinc/82/26/64/841822664.db2.gz REITWUPBIUPNRI-VWPFQQQWSA-N 1 2 350.419 -0.599 20 30 FBEDLO COC[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)CCOC1 ZINC001110863675 841822654 /nfs/dbraw/zinc/82/26/54/841822654.db2.gz REITWUPBIUPNRI-VWPFQQQWSA-N 1 2 350.419 -0.599 20 30 FBEDLO COC[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)CCOC1 ZINC001110863676 841822564 /nfs/dbraw/zinc/82/25/64/841822564.db2.gz REITWUPBIUPNRI-WVZRYYJFSA-N 1 2 350.419 -0.599 20 30 FBEDLO COC[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)CCOC1 ZINC001110863676 841822554 /nfs/dbraw/zinc/82/25/54/841822554.db2.gz REITWUPBIUPNRI-WVZRYYJFSA-N 1 2 350.419 -0.599 20 30 FBEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNS(C)(=O)=O)c1 ZINC001111001950 842030378 /nfs/dbraw/zinc/03/03/78/842030378.db2.gz OVCSKHVWXQIUCM-OAGGEKHMSA-N 1 2 362.455 -0.053 20 30 FBEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNS(C)(=O)=O)c1 ZINC001111001950 842030373 /nfs/dbraw/zinc/03/03/73/842030373.db2.gz OVCSKHVWXQIUCM-OAGGEKHMSA-N 1 2 362.455 -0.053 20 30 FBEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]nc1S(N)(=O)=O)C2 ZINC001111005284 842030843 /nfs/dbraw/zinc/03/08/43/842030843.db2.gz KQNDUNFIXSCDRZ-RTXFEEFZSA-N 1 2 367.431 -0.958 20 30 FBEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]nc1S(N)(=O)=O)C2 ZINC001111005284 842030833 /nfs/dbraw/zinc/03/08/33/842030833.db2.gz KQNDUNFIXSCDRZ-RTXFEEFZSA-N 1 2 367.431 -0.958 20 30 FBEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001111019814 842031658 /nfs/dbraw/zinc/03/16/58/842031658.db2.gz QBGJNGCPUMFXOI-PEBLQZBPSA-N 1 2 350.419 -0.957 20 30 FBEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001111019814 842031647 /nfs/dbraw/zinc/03/16/47/842031647.db2.gz QBGJNGCPUMFXOI-PEBLQZBPSA-N 1 2 350.419 -0.957 20 30 FBEDLO Cn1cc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)c(Cl)n1 ZINC001111020684 842032499 /nfs/dbraw/zinc/03/24/99/842032499.db2.gz HLDRJIZZEXWGQI-UPJWGTAASA-N 1 2 364.837 -0.023 20 30 FBEDLO Cn1cc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)c(Cl)n1 ZINC001111020684 842032490 /nfs/dbraw/zinc/03/24/90/842032490.db2.gz HLDRJIZZEXWGQI-UPJWGTAASA-N 1 2 364.837 -0.023 20 30 FBEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC ZINC001111040314 842033628 /nfs/dbraw/zinc/03/36/28/842033628.db2.gz FUHFNSNXYNIEGE-POQQGIQPSA-N 1 2 350.419 -0.245 20 30 FBEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC ZINC001111040314 842033620 /nfs/dbraw/zinc/03/36/20/842033620.db2.gz FUHFNSNXYNIEGE-POQQGIQPSA-N 1 2 350.419 -0.245 20 30 FBEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O ZINC001111040351 842032987 /nfs/dbraw/zinc/03/29/87/842032987.db2.gz HBWBBFASHNITOB-ZSAUSMIDSA-N 1 2 357.476 -0.152 20 30 FBEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O ZINC001111040351 842032966 /nfs/dbraw/zinc/03/29/66/842032966.db2.gz HBWBBFASHNITOB-ZSAUSMIDSA-N 1 2 357.476 -0.152 20 30 FBEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc(Cl)cn1)C2 ZINC001111070296 842037098 /nfs/dbraw/zinc/03/70/98/842037098.db2.gz ARQPZEKLUZXLDG-UPJWGTAASA-N 1 2 350.810 -0.102 20 30 FBEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc(Cl)cn1)C2 ZINC001111070296 842037090 /nfs/dbraw/zinc/03/70/90/842037090.db2.gz ARQPZEKLUZXLDG-UPJWGTAASA-N 1 2 350.810 -0.102 20 30 FBEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNS(=O)(=O)N(C)C)C2 ZINC001111075235 842036606 /nfs/dbraw/zinc/03/66/06/842036606.db2.gz SLCAVNOONKCIMQ-UTUOFQBUSA-N 1 2 350.872 -0.144 20 30 FBEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNS(=O)(=O)N(C)C)C2 ZINC001111075235 842036599 /nfs/dbraw/zinc/03/65/99/842036599.db2.gz SLCAVNOONKCIMQ-UTUOFQBUSA-N 1 2 350.872 -0.144 20 30 FBEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CCOCC1)C2 ZINC001111086677 842039852 /nfs/dbraw/zinc/03/98/52/842039852.db2.gz ZTJKQLCYJWTKLV-YUELXQCFSA-N 1 2 350.419 -0.457 20 30 FBEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CCOCC1)C2 ZINC001111086677 842039844 /nfs/dbraw/zinc/03/98/44/842039844.db2.gz ZTJKQLCYJWTKLV-YUELXQCFSA-N 1 2 350.419 -0.457 20 30 FBEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@@H]1CCOC1)C2 ZINC001111090232 842039376 /nfs/dbraw/zinc/03/93/76/842039376.db2.gz DCJKZGAGBJRYCM-TUVASFSCSA-N 1 2 350.419 -0.599 20 30 FBEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@@H]1CCOC1)C2 ZINC001111090232 842039366 /nfs/dbraw/zinc/03/93/66/842039366.db2.gz DCJKZGAGBJRYCM-TUVASFSCSA-N 1 2 350.419 -0.599 20 30 FBEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@H]1CCOC1)C2 ZINC001111090233 842039618 /nfs/dbraw/zinc/03/96/18/842039618.db2.gz DCJKZGAGBJRYCM-YJNKXOJESA-N 1 2 350.419 -0.599 20 30 FBEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@H]1CCOC1)C2 ZINC001111090233 842039605 /nfs/dbraw/zinc/03/96/05/842039605.db2.gz DCJKZGAGBJRYCM-YJNKXOJESA-N 1 2 350.419 -0.599 20 30 FBEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C2 ZINC001111112213 842043019 /nfs/dbraw/zinc/04/30/19/842043019.db2.gz DIEHBCXTJAVOPH-UPJWGTAASA-N 1 2 372.491 -0.662 20 30 FBEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C2 ZINC001111112213 842043008 /nfs/dbraw/zinc/04/30/08/842043008.db2.gz DIEHBCXTJAVOPH-UPJWGTAASA-N 1 2 372.491 -0.662 20 30 FBEDLO C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNS(C)(=O)=O)nn1 ZINC001111112318 842042366 /nfs/dbraw/zinc/04/23/66/842042366.db2.gz IZGKUMQRMNGKRB-BZPMIXESSA-N 1 2 368.463 -0.652 20 30 FBEDLO C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNS(C)(=O)=O)nn1 ZINC001111112318 842042355 /nfs/dbraw/zinc/04/23/55/842042355.db2.gz IZGKUMQRMNGKRB-BZPMIXESSA-N 1 2 368.463 -0.652 20 30 FBEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCN(C)S1(=O)=O)C2 ZINC001111128172 842044814 /nfs/dbraw/zinc/04/48/14/842044814.db2.gz YDRKQKZREGODCZ-APIJFGDWSA-N 1 2 355.460 -0.608 20 30 FBEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCN(C)S1(=O)=O)C2 ZINC001111128172 842044806 /nfs/dbraw/zinc/04/48/06/842044806.db2.gz YDRKQKZREGODCZ-APIJFGDWSA-N 1 2 355.460 -0.608 20 30 FBEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCN(C)S1(=O)=O)C2 ZINC001111128173 842044912 /nfs/dbraw/zinc/04/49/12/842044912.db2.gz YDRKQKZREGODCZ-KBXIAJHMSA-N 1 2 355.460 -0.608 20 30 FBEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCN(C)S1(=O)=O)C2 ZINC001111128173 842044904 /nfs/dbraw/zinc/04/49/04/842044904.db2.gz YDRKQKZREGODCZ-KBXIAJHMSA-N 1 2 355.460 -0.608 20 30 FBEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001111129225 842044718 /nfs/dbraw/zinc/04/47/18/842044718.db2.gz HAJPZWQABAPQBS-JYKNGBAOSA-N 1 2 350.419 -0.116 20 30 FBEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001111129225 842044711 /nfs/dbraw/zinc/04/47/11/842044711.db2.gz HAJPZWQABAPQBS-JYKNGBAOSA-N 1 2 350.419 -0.116 20 30 FBEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)NCC(F)(F)F)C2 ZINC001111193792 842054135 /nfs/dbraw/zinc/05/41/35/842054135.db2.gz NUNLSZREPWSVAX-MXWKQRLJSA-N 1 2 362.352 -0.311 20 30 FBEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)NCC(F)(F)F)C2 ZINC001111193792 842054126 /nfs/dbraw/zinc/05/41/26/842054126.db2.gz NUNLSZREPWSVAX-MXWKQRLJSA-N 1 2 362.352 -0.311 20 30 FBEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(=O)Cn1cnnn1)C2 ZINC001111248675 842061659 /nfs/dbraw/zinc/06/16/59/842061659.db2.gz KGUBSZOGPGSVHZ-LOWDOPEQSA-N 1 2 367.841 -0.348 20 30 FBEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(=O)Cn1cnnn1)C2 ZINC001111248675 842061646 /nfs/dbraw/zinc/06/16/46/842061646.db2.gz KGUBSZOGPGSVHZ-LOWDOPEQSA-N 1 2 367.841 -0.348 20 30 FBEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOCCCOC)C2 ZINC001111253954 842063440 /nfs/dbraw/zinc/06/34/40/842063440.db2.gz AXUJMWBCZARGQK-OAGGEKHMSA-N 1 2 351.447 -0.100 20 30 FBEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOCCCOC)C2 ZINC001111253954 842063428 /nfs/dbraw/zinc/06/34/28/842063428.db2.gz AXUJMWBCZARGQK-OAGGEKHMSA-N 1 2 351.447 -0.100 20 30 FBEDLO COCCCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001111256106 842062199 /nfs/dbraw/zinc/06/21/99/842062199.db2.gz SVWUDDMGURFWAA-KFWWJZLASA-N 1 2 352.435 -0.209 20 30 FBEDLO COCCCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001111256106 842062190 /nfs/dbraw/zinc/06/21/90/842062190.db2.gz SVWUDDMGURFWAA-KFWWJZLASA-N 1 2 352.435 -0.209 20 30 FBEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NC(=O)Cn1cnnn1)C2 ZINC001111263287 842064709 /nfs/dbraw/zinc/06/47/09/842064709.db2.gz KGUBSZOGPGSVHZ-LPWJVIDDSA-N 1 2 367.841 -0.348 20 30 FBEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NC(=O)Cn1cnnn1)C2 ZINC001111263287 842064700 /nfs/dbraw/zinc/06/47/00/842064700.db2.gz KGUBSZOGPGSVHZ-LPWJVIDDSA-N 1 2 367.841 -0.348 20 30 FBEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNS(C)(=O)=O)nc1 ZINC001111293306 842068465 /nfs/dbraw/zinc/06/84/65/842068465.db2.gz YNSYJUICFRPYGJ-BMFZPTHFSA-N 1 2 362.455 -0.053 20 30 FBEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNS(C)(=O)=O)nc1 ZINC001111293306 842068455 /nfs/dbraw/zinc/06/84/55/842068455.db2.gz YNSYJUICFRPYGJ-BMFZPTHFSA-N 1 2 362.455 -0.053 20 30 FBEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNS(C)(=O)=O)cn1 ZINC001111295626 842069030 /nfs/dbraw/zinc/06/90/30/842069030.db2.gz XFERDSUYIRUZOQ-OAGGEKHMSA-N 1 2 362.455 -0.053 20 30 FBEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNS(C)(=O)=O)cn1 ZINC001111295626 842069021 /nfs/dbraw/zinc/06/90/21/842069021.db2.gz XFERDSUYIRUZOQ-OAGGEKHMSA-N 1 2 362.455 -0.053 20 30 FBEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CCC)NC(N)=O)C2 ZINC001111320940 842071595 /nfs/dbraw/zinc/07/15/95/842071595.db2.gz QLUOSPCLXBIACL-SYQHCUMBSA-N 1 2 351.451 -0.153 20 30 FBEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CCC)NC(N)=O)C2 ZINC001111320940 842071583 /nfs/dbraw/zinc/07/15/83/842071583.db2.gz QLUOSPCLXBIACL-SYQHCUMBSA-N 1 2 351.451 -0.153 20 30 FBEDLO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001111321092 842071558 /nfs/dbraw/zinc/07/15/58/842071558.db2.gz XLGPGZJXBRKLNU-LPWJVIDDSA-N 1 2 350.423 -0.815 20 30 FBEDLO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001111321092 842071550 /nfs/dbraw/zinc/07/15/50/842071550.db2.gz XLGPGZJXBRKLNU-LPWJVIDDSA-N 1 2 350.423 -0.815 20 30 FBEDLO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CS(=O)(=O)N(C)C)C2 ZINC001111334280 842072755 /nfs/dbraw/zinc/07/27/55/842072755.db2.gz TUPFXFYODSBFSG-DGAVXFQQSA-N 1 2 372.491 -0.710 20 30 FBEDLO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CS(=O)(=O)N(C)C)C2 ZINC001111334280 842072741 /nfs/dbraw/zinc/07/27/41/842072741.db2.gz TUPFXFYODSBFSG-DGAVXFQQSA-N 1 2 372.491 -0.710 20 30 FBEDLO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CS(=O)(=O)N(C)C)C2 ZINC001111334281 842073337 /nfs/dbraw/zinc/07/33/37/842073337.db2.gz TUPFXFYODSBFSG-SYQHCUMBSA-N 1 2 372.491 -0.710 20 30 FBEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CS(=O)(=O)N(C)C)C2 ZINC001111334281 842073326 /nfs/dbraw/zinc/07/33/26/842073326.db2.gz TUPFXFYODSBFSG-SYQHCUMBSA-N 1 2 372.491 -0.710 20 30 FBEDLO Cc1csc(=O)n1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001111385281 842080147 /nfs/dbraw/zinc/08/01/47/842080147.db2.gz RIZVOCVYQAQSSM-UPJWGTAASA-N 1 2 363.443 -0.421 20 30 FBEDLO Cc1csc(=O)n1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001111385281 842080133 /nfs/dbraw/zinc/08/01/33/842080133.db2.gz RIZVOCVYQAQSSM-UPJWGTAASA-N 1 2 363.443 -0.421 20 30 FBEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c(C)csc1=O)C2 ZINC001111385305 842080074 /nfs/dbraw/zinc/08/00/74/842080074.db2.gz SIPBMMKDDJUFQE-MCIONIFRSA-N 1 2 362.455 -0.311 20 30 FBEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c(C)csc1=O)C2 ZINC001111385305 842080058 /nfs/dbraw/zinc/08/00/58/842080058.db2.gz SIPBMMKDDJUFQE-MCIONIFRSA-N 1 2 362.455 -0.311 20 30 FBEDLO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C2 ZINC001111404881 842082109 /nfs/dbraw/zinc/08/21/09/842082109.db2.gz GROWARWVCYAGRL-OAGGEKHMSA-N 1 2 371.503 -0.359 20 30 FBEDLO C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C2 ZINC001111404881 842082096 /nfs/dbraw/zinc/08/20/96/842082096.db2.gz GROWARWVCYAGRL-OAGGEKHMSA-N 1 2 371.503 -0.359 20 30 FBEDLO C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CS(=O)(=O)NC)C3)C1=O ZINC001111414317 842086166 /nfs/dbraw/zinc/08/61/66/842086166.db2.gz GJRPNZVZWFPBMD-MQYQWHSLSA-N 1 2 370.475 -0.956 20 30 FBEDLO C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CS(=O)(=O)NC)C3)C1=O ZINC001111414317 842086153 /nfs/dbraw/zinc/08/61/53/842086153.db2.gz GJRPNZVZWFPBMD-MQYQWHSLSA-N 1 2 370.475 -0.956 20 30 FBEDLO C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CS(=O)(=O)NC)C3)C1=O ZINC001111414318 842086067 /nfs/dbraw/zinc/08/60/67/842086067.db2.gz GJRPNZVZWFPBMD-YIYPIFLZSA-N 1 2 370.475 -0.956 20 30 FBEDLO C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CS(=O)(=O)NC)C3)C1=O ZINC001111414318 842086059 /nfs/dbraw/zinc/08/60/59/842086059.db2.gz GJRPNZVZWFPBMD-YIYPIFLZSA-N 1 2 370.475 -0.956 20 30 FBEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)OCCOCC)C2 ZINC001111449572 842149741 /nfs/dbraw/zinc/14/97/41/842149741.db2.gz BUAZALLOTCOFCE-FPCVCCKLSA-N 1 2 351.447 -0.101 20 30 FBEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)OCCOCC)C2 ZINC001111449572 842149738 /nfs/dbraw/zinc/14/97/38/842149738.db2.gz BUAZALLOTCOFCE-FPCVCCKLSA-N 1 2 351.447 -0.101 20 30 FBEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)OCCOCC)C2 ZINC001111449573 842149953 /nfs/dbraw/zinc/14/99/53/842149953.db2.gz BUAZALLOTCOFCE-JJXSEGSLSA-N 1 2 351.447 -0.101 20 30 FBEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)OCCOCC)C2 ZINC001111449573 842149947 /nfs/dbraw/zinc/14/99/47/842149947.db2.gz BUAZALLOTCOFCE-JJXSEGSLSA-N 1 2 351.447 -0.101 20 30 FBEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)Cn1cncn1)C2 ZINC001111455157 842157294 /nfs/dbraw/zinc/15/72/94/842157294.db2.gz OXORLQDFLIFGMG-UPJWGTAASA-N 1 2 352.826 -0.132 20 30 FBEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)Cn1cncn1)C2 ZINC001111455157 842157290 /nfs/dbraw/zinc/15/72/90/842157290.db2.gz OXORLQDFLIFGMG-UPJWGTAASA-N 1 2 352.826 -0.132 20 30 FBEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)NC(=O)NC)C2 ZINC001111455725 842156693 /nfs/dbraw/zinc/15/66/93/842156693.db2.gz NXDDORDGNHLFAK-UPJWGTAASA-N 1 2 351.451 -0.282 20 30 FBEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)NC(=O)NC)C2 ZINC001111455725 842156684 /nfs/dbraw/zinc/15/66/84/842156684.db2.gz NXDDORDGNHLFAK-UPJWGTAASA-N 1 2 351.451 -0.282 20 30 FBEDLO 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C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(N)=O ZINC001111462420 842400123 /nfs/dbraw/zinc/40/01/23/842400123.db2.gz WJHABWKOUHJNDQ-LOWDOPEQSA-N 1 2 351.451 -0.155 20 30 FBEDLO C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(N)=O ZINC001111462421 842400255 /nfs/dbraw/zinc/40/02/55/842400255.db2.gz WJHABWKOUHJNDQ-LPWJVIDDSA-N 1 2 351.451 -0.155 20 30 FBEDLO C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(N)=O ZINC001111462421 842400249 /nfs/dbraw/zinc/40/02/49/842400249.db2.gz WJHABWKOUHJNDQ-LPWJVIDDSA-N 1 2 351.451 -0.155 20 30 FBEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@@H]1CCCO1)C2 ZINC001111510171 842776384 /nfs/dbraw/zinc/77/63/84/842776384.db2.gz KWYDOTHYIXFTRI-BARDWOONSA-N 1 2 350.419 -0.457 20 30 FBEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@@H]1CCCO1)C2 ZINC001111510171 842776377 /nfs/dbraw/zinc/77/63/77/842776377.db2.gz KWYDOTHYIXFTRI-BARDWOONSA-N 1 2 350.419 -0.457 20 30 FBEDLO 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/nfs/dbraw/zinc/14/31/74/843143174.db2.gz VXYHZLZQQQJUSM-UHFFFAOYSA-N 1 2 354.432 -0.236 20 30 FBEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CCS(=O)(=O)CCC(N)=O)C2)nc1 ZINC001117720340 843157871 /nfs/dbraw/zinc/15/78/71/843157871.db2.gz MNWPDIFWJXIZND-CYBMUJFWSA-N 1 2 352.416 -0.303 20 30 FBEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CCS(=O)(=O)CCC(N)=O)C2)nc1 ZINC001117720340 843157865 /nfs/dbraw/zinc/15/78/65/843157865.db2.gz MNWPDIFWJXIZND-CYBMUJFWSA-N 1 2 352.416 -0.303 20 30 FBEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CCS(=O)(=O)CCC(N)=O)C2)nc1 ZINC001117720341 843157682 /nfs/dbraw/zinc/15/76/82/843157682.db2.gz MNWPDIFWJXIZND-ZDUSSCGKSA-N 1 2 352.416 -0.303 20 30 FBEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CCS(=O)(=O)CCC(N)=O)C2)nc1 ZINC001117720341 843157679 /nfs/dbraw/zinc/15/76/79/843157679.db2.gz MNWPDIFWJXIZND-ZDUSSCGKSA-N 1 2 352.416 -0.303 20 30 FBEDLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC001118181455 843207050 /nfs/dbraw/zinc/20/70/50/843207050.db2.gz YVWPMUJDQXLXMH-UONOGXRCSA-N 1 2 352.435 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/nfs/dbraw/zinc/25/07/72/843250772.db2.gz PSUWVLSMFZZNON-KBPBESRZSA-N 1 2 357.476 -0.164 20 30 FBEDLO C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001118346036 843250761 /nfs/dbraw/zinc/25/07/61/843250761.db2.gz PSUWVLSMFZZNON-KBPBESRZSA-N 1 2 357.476 -0.164 20 30 FBEDLO C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001118346037 843250335 /nfs/dbraw/zinc/25/03/35/843250335.db2.gz PSUWVLSMFZZNON-KGLIPLIRSA-N 1 2 357.476 -0.164 20 30 FBEDLO C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001118346037 843250325 /nfs/dbraw/zinc/25/03/25/843250325.db2.gz PSUWVLSMFZZNON-KGLIPLIRSA-N 1 2 357.476 -0.164 20 30 FBEDLO C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001118346038 843250303 /nfs/dbraw/zinc/25/03/03/843250303.db2.gz PSUWVLSMFZZNON-UONOGXRCSA-N 1 2 357.476 -0.164 20 30 FBEDLO C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001118346038 843250288 /nfs/dbraw/zinc/25/02/88/843250288.db2.gz PSUWVLSMFZZNON-UONOGXRCSA-N 1 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C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001119113046 843410860 /nfs/dbraw/zinc/41/08/60/843410860.db2.gz CIOBCAVOHZFTSN-ZDUSSCGKSA-N 1 2 351.432 -0.943 20 30 FBEDLO N#Cc1csc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC001119862135 843491306 /nfs/dbraw/zinc/49/13/06/843491306.db2.gz HBYQKSKVUSUTRP-CYBMUJFWSA-N 1 2 363.443 -0.046 20 30 FBEDLO N#Cc1csc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC001119862136 843491661 /nfs/dbraw/zinc/49/16/61/843491661.db2.gz HBYQKSKVUSUTRP-ZDUSSCGKSA-N 1 2 363.443 -0.046 20 30 FBEDLO Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 ZINC001120256126 843522510 /nfs/dbraw/zinc/52/25/10/843522510.db2.gz SJLGMBNLKHPSKO-IOASZLSFSA-N 1 2 363.443 -0.436 20 30 FBEDLO Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 ZINC001120256127 843522663 /nfs/dbraw/zinc/52/26/63/843522663.db2.gz SJLGMBNLKHPSKO-ZENOOKHLSA-N 1 2 363.443 -0.436 20 30 FBEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCO[C@@](C)(C#N)C1 ZINC001120449592 843551248 /nfs/dbraw/zinc/55/12/48/843551248.db2.gz IVPFAKSLRXRHMT-KRWDZBQOSA-N 1 2 352.435 -0.303 20 30 FBEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCO[C@@](C)(C#N)C1 ZINC001120449592 843551241 /nfs/dbraw/zinc/55/12/41/843551241.db2.gz IVPFAKSLRXRHMT-KRWDZBQOSA-N 1 2 352.435 -0.303 20 30 FBEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCO[C@](C)(C#N)C1 ZINC001120449593 843550997 /nfs/dbraw/zinc/55/09/97/843550997.db2.gz IVPFAKSLRXRHMT-QGZVFWFLSA-N 1 2 352.435 -0.303 20 30 FBEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCO[C@](C)(C#N)C1 ZINC001120449593 843550992 /nfs/dbraw/zinc/55/09/92/843550992.db2.gz IVPFAKSLRXRHMT-QGZVFWFLSA-N 1 2 352.435 -0.303 20 30 FBEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(N)(=O)=O)c3)n2C)CC1 ZINC001121260712 843581599 /nfs/dbraw/zinc/58/15/99/843581599.db2.gz ABRGQAKPXKFLOF-UHFFFAOYSA-N 1 2 360.443 -0.115 20 30 FBEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(S(N)(=O)=O)s3)n2C)CC1 ZINC001121356989 843584421 /nfs/dbraw/zinc/58/44/21/843584421.db2.gz GPYAJNJSDWFCGX-UHFFFAOYSA-N 1 2 366.472 -0.054 20 30 FBEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCO[C@H](C(=O)OC)C1 ZINC001121509173 843588025 /nfs/dbraw/zinc/58/80/25/843588025.db2.gz CGRGEPNMDDQXER-AGIUHOORSA-N 1 2 351.407 -0.420 20 30 FBEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCO[C@H](C(=O)OC)C1 ZINC001121509173 843588016 /nfs/dbraw/zinc/58/80/16/843588016.db2.gz CGRGEPNMDDQXER-AGIUHOORSA-N 1 2 351.407 -0.420 20 30 FBEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCO[C@H](C(=O)OC)C1 ZINC001121509176 843588779 /nfs/dbraw/zinc/58/87/79/843588779.db2.gz CGRGEPNMDDQXER-AVGNSLFASA-N 1 2 351.407 -0.420 20 30 FBEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCO[C@H](C(=O)OC)C1 ZINC001121509176 843588777 /nfs/dbraw/zinc/58/87/77/843588777.db2.gz CGRGEPNMDDQXER-AVGNSLFASA-N 1 2 351.407 -0.420 20 30 FBEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCO[C@@H](C(=O)OC)C1 ZINC001121509177 843588406 /nfs/dbraw/zinc/58/84/06/843588406.db2.gz CGRGEPNMDDQXER-FRRDWIJNSA-N 1 2 351.407 -0.420 20 30 FBEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCO[C@@H](C(=O)OC)C1 ZINC001121509177 843588399 /nfs/dbraw/zinc/58/83/99/843588399.db2.gz CGRGEPNMDDQXER-FRRDWIJNSA-N 1 2 351.407 -0.420 20 30 FBEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCO[C@@H](C(=O)OC)C1 ZINC001121509179 843588152 /nfs/dbraw/zinc/58/81/52/843588152.db2.gz CGRGEPNMDDQXER-RWMBFGLXSA-N 1 2 351.407 -0.420 20 30 FBEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCO[C@@H](C(=O)OC)C1 ZINC001121509179 843588141 /nfs/dbraw/zinc/58/81/41/843588141.db2.gz CGRGEPNMDDQXER-RWMBFGLXSA-N 1 2 351.407 -0.420 20 30 FBEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001121510732 843587981 /nfs/dbraw/zinc/58/79/81/843587981.db2.gz RPSWOGXYPJTQFD-AGIUHOORSA-N 1 2 350.423 -0.847 20 30 FBEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001121510732 843587970 /nfs/dbraw/zinc/58/79/70/843587970.db2.gz RPSWOGXYPJTQFD-AGIUHOORSA-N 1 2 350.423 -0.847 20 30 FBEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001121510734 843588651 /nfs/dbraw/zinc/58/86/51/843588651.db2.gz RPSWOGXYPJTQFD-AVGNSLFASA-N 1 2 350.423 -0.847 20 30 FBEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001121510734 843588642 /nfs/dbraw/zinc/58/86/42/843588642.db2.gz RPSWOGXYPJTQFD-AVGNSLFASA-N 1 2 350.423 -0.847 20 30 FBEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001121510736 843588753 /nfs/dbraw/zinc/58/87/53/843588753.db2.gz RPSWOGXYPJTQFD-FRRDWIJNSA-N 1 2 350.423 -0.847 20 30 FBEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001121510736 843588744 /nfs/dbraw/zinc/58/87/44/843588744.db2.gz RPSWOGXYPJTQFD-FRRDWIJNSA-N 1 2 350.423 -0.847 20 30 FBEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001121510738 843588705 /nfs/dbraw/zinc/58/87/05/843588705.db2.gz RPSWOGXYPJTQFD-RWMBFGLXSA-N 1 2 350.423 -0.847 20 30 FBEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001121510738 843588698 /nfs/dbraw/zinc/58/86/98/843588698.db2.gz RPSWOGXYPJTQFD-RWMBFGLXSA-N 1 2 350.423 -0.847 20 30 FBEDLO C#CC[NH+]1CCN(c2nnc(CCCS(C)(=O)=O)n2CCOC)CC1 ZINC001122294386 843611555 /nfs/dbraw/zinc/61/15/55/843611555.db2.gz TVTJYRLWZOWSRK-UHFFFAOYSA-N 1 2 369.491 -0.343 20 30 FBEDLO C#CC[NH+]1CCN(c2nnc(CNS(=O)(=O)CC)n2CCOC)CC1 ZINC001122443968 843616310 /nfs/dbraw/zinc/61/63/10/843616310.db2.gz UQADCLCTGPVNJE-UHFFFAOYSA-N 1 2 370.479 -0.881 20 30 FBEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001122592530 843619839 /nfs/dbraw/zinc/61/98/39/843619839.db2.gz DDPIPURSIIJYJO-UPJWGTAASA-N 1 2 350.423 -0.274 20 30 FBEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001122592532 843619778 /nfs/dbraw/zinc/61/97/78/843619778.db2.gz DDPIPURSIIJYJO-XQQFMLRXSA-N 1 2 350.423 -0.274 20 30 FBEDLO C#CC[NH+]1CCN(c2nnc(CCCS(N)(=O)=O)n2CC(C)C)CC1 ZINC001122717284 843621987 /nfs/dbraw/zinc/62/19/87/843621987.db2.gz HOUJPJWIKZIACM-UHFFFAOYSA-N 1 2 368.507 -0.090 20 30 FBEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)N3)n2CC2CC2)CC1 ZINC001123504665 843630588 /nfs/dbraw/zinc/63/05/88/843630588.db2.gz PKTVFYHQCPOSEB-AWEZNQCLSA-N 1 2 364.475 -0.193 20 30 FBEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)N3)n2CC2CC2)CC1 ZINC001123504666 843630277 /nfs/dbraw/zinc/63/02/77/843630277.db2.gz PKTVFYHQCPOSEB-CQSZACIVSA-N 1 2 364.475 -0.193 20 30 FBEDLO C#CC1(O)CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC001123598457 843633155 /nfs/dbraw/zinc/63/31/55/843633155.db2.gz AFOAEDKNEQMJJQ-UHFFFAOYSA-N 1 2 357.476 -0.335 20 30 FBEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1nc(CC(=O)NC)no1 ZINC001127608758 837171160 /nfs/dbraw/zinc/17/11/60/837171160.db2.gz FVBUEPWZQWKOIA-NEPJUHHUSA-N 1 2 351.407 -0.455 20 30 FBEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCOC)[C@@H](n2ccnn2)C1 ZINC001128608189 837693500 /nfs/dbraw/zinc/69/35/00/837693500.db2.gz VGOUCHZCLFXJOP-MCIONIFRSA-N 1 2 350.423 -0.653 20 30 FBEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCOC)[C@@H](n2ccnn2)C1 ZINC001128608189 837693496 /nfs/dbraw/zinc/69/34/96/837693496.db2.gz VGOUCHZCLFXJOP-MCIONIFRSA-N 1 2 350.423 -0.653 20 30 FBEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCOC)[C@@H](n2ccnn2)C1 ZINC001128608190 837693921 /nfs/dbraw/zinc/69/39/21/837693921.db2.gz VGOUCHZCLFXJOP-MJBXVCDLSA-N 1 2 350.423 -0.653 20 30 FBEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCOC)[C@@H](n2ccnn2)C1 ZINC001128608190 837693914 /nfs/dbraw/zinc/69/39/14/837693914.db2.gz VGOUCHZCLFXJOP-MJBXVCDLSA-N 1 2 350.423 -0.653 20 30 FBEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)COCC)[C@@H](n2ccnn2)C1 ZINC001128671528 837700655 /nfs/dbraw/zinc/70/06/55/837700655.db2.gz CHHJZQJVZYUVLW-MCIONIFRSA-N 1 2 350.423 -0.653 20 30 FBEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COCC)[C@@H](n2ccnn2)C1 ZINC001128671528 837700651 /nfs/dbraw/zinc/70/06/51/837700651.db2.gz CHHJZQJVZYUVLW-MCIONIFRSA-N 1 2 350.423 -0.653 20 30 FBEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)COCC)[C@@H](n2ccnn2)C1 ZINC001128671532 837701172 /nfs/dbraw/zinc/70/11/72/837701172.db2.gz CHHJZQJVZYUVLW-MJBXVCDLSA-N 1 2 350.423 -0.653 20 30 FBEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)COCC)[C@@H](n2ccnn2)C1 ZINC001128671532 837701166 /nfs/dbraw/zinc/70/11/66/837701166.db2.gz CHHJZQJVZYUVLW-MJBXVCDLSA-N 1 2 350.423 -0.653 20 30 FBEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCSC)[C@@H](n2ccnn2)C1 ZINC001128677841 837702111 /nfs/dbraw/zinc/70/21/11/837702111.db2.gz RIHQTDBTJYQTNB-MCIONIFRSA-N 1 2 364.475 -0.489 20 30 FBEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCSC)[C@@H](n2ccnn2)C1 ZINC001128677841 837702104 /nfs/dbraw/zinc/70/21/04/837702104.db2.gz RIHQTDBTJYQTNB-MCIONIFRSA-N 1 2 364.475 -0.489 20 30 FBEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCSC)[C@@H](n2ccnn2)C1 ZINC001128677842 837701728 /nfs/dbraw/zinc/70/17/28/837701728.db2.gz RIHQTDBTJYQTNB-MJBXVCDLSA-N 1 2 364.475 -0.489 20 30 FBEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCSC)[C@@H](n2ccnn2)C1 ZINC001128677842 837701717 /nfs/dbraw/zinc/70/17/17/837701717.db2.gz RIHQTDBTJYQTNB-MJBXVCDLSA-N 1 2 364.475 -0.489 20 30 FBEDLO Cn1cc(C[N@H+]2C[C@@H](NC(=O)CSCC#N)[C@@H](n3ccnn3)C2)cn1 ZINC001128723716 837709027 /nfs/dbraw/zinc/70/90/27/837709027.db2.gz BDHMASKWNNTGAR-KGLIPLIRSA-N 1 2 360.447 -0.190 20 30 FBEDLO Cn1cc(C[N@@H+]2C[C@@H](NC(=O)CSCC#N)[C@@H](n3ccnn3)C2)cn1 ZINC001128723716 837709022 /nfs/dbraw/zinc/70/90/22/837709022.db2.gz BDHMASKWNNTGAR-KGLIPLIRSA-N 1 2 360.447 -0.190 20 30 FBEDLO Cn1c[nH+]cc1CN1C[C@@H](NC(=O)CSCC#N)[C@@H](n2ccnn2)C1 ZINC001128724106 837709435 /nfs/dbraw/zinc/70/94/35/837709435.db2.gz PYDLQQXSWRDUEU-KGLIPLIRSA-N 1 2 360.447 -0.190 20 30 FBEDLO C=CCOCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001128812451 837727971 /nfs/dbraw/zinc/72/79/71/837727971.db2.gz ZSENCHUGHYXJSA-MCIONIFRSA-N 1 2 350.423 -0.701 20 30 FBEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001128812451 837727964 /nfs/dbraw/zinc/72/79/64/837727964.db2.gz ZSENCHUGHYXJSA-MCIONIFRSA-N 1 2 350.423 -0.701 20 30 FBEDLO C=CCOCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001128812452 837727822 /nfs/dbraw/zinc/72/78/22/837727822.db2.gz ZSENCHUGHYXJSA-MJBXVCDLSA-N 1 2 350.423 -0.701 20 30 FBEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001128812452 837727813 /nfs/dbraw/zinc/72/78/13/837727813.db2.gz ZSENCHUGHYXJSA-MJBXVCDLSA-N 1 2 350.423 -0.701 20 30 FBEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001128816958 837728774 /nfs/dbraw/zinc/72/87/74/837728774.db2.gz TVHMBGAFPJECLB-KGLIPLIRSA-N 1 2 370.479 -0.523 20 30 FBEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001128816958 837728759 /nfs/dbraw/zinc/72/87/59/837728759.db2.gz TVHMBGAFPJECLB-KGLIPLIRSA-N 1 2 370.479 -0.523 20 30 FBEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CCNS(=O)(=O)CC)C[C@@H]1n1ccnn1 ZINC001128820803 837727522 /nfs/dbraw/zinc/72/75/22/837727522.db2.gz GSYQKJVZLHYPOP-KGLIPLIRSA-N 1 2 370.479 -0.475 20 30 FBEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CCNS(=O)(=O)CC)C[C@@H]1n1ccnn1 ZINC001128820803 837727510 /nfs/dbraw/zinc/72/75/10/837727510.db2.gz GSYQKJVZLHYPOP-KGLIPLIRSA-N 1 2 370.479 -0.475 20 30 FBEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001128821456 837728248 /nfs/dbraw/zinc/72/82/48/837728248.db2.gz UYVOTZCJEOYOQH-OLZOCXBDSA-N 1 2 356.452 -0.865 20 30 FBEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001128821456 837728240 /nfs/dbraw/zinc/72/82/40/837728240.db2.gz UYVOTZCJEOYOQH-OLZOCXBDSA-N 1 2 356.452 -0.865 20 30 FBEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](n3ccnn3)C2)s1 ZINC001128855284 837731638 /nfs/dbraw/zinc/73/16/38/837731638.db2.gz XRHOHKBFPPEDMM-OLZOCXBDSA-N 1 2 359.415 -0.372 20 30 FBEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](n3ccnn3)C2)s1 ZINC001128855284 837731628 /nfs/dbraw/zinc/73/16/28/837731628.db2.gz XRHOHKBFPPEDMM-OLZOCXBDSA-N 1 2 359.415 -0.372 20 30 FBEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@H](F)CC)C[C@@H]1n1ccnn1 ZINC001128903434 837735626 /nfs/dbraw/zinc/73/56/26/837735626.db2.gz QERHYHHMMNUXTN-MCIONIFRSA-N 1 2 350.398 -0.493 20 30 FBEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H](F)CC)C[C@@H]1n1ccnn1 ZINC001128903434 837735615 /nfs/dbraw/zinc/73/56/15/837735615.db2.gz QERHYHHMMNUXTN-MCIONIFRSA-N 1 2 350.398 -0.493 20 30 FBEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@@H](F)CC)C[C@@H]1n1ccnn1 ZINC001128903435 837735696 /nfs/dbraw/zinc/73/56/96/837735696.db2.gz QERHYHHMMNUXTN-MJBXVCDLSA-N 1 2 350.398 -0.493 20 30 FBEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](F)CC)C[C@@H]1n1ccnn1 ZINC001128903435 837735685 /nfs/dbraw/zinc/73/56/85/837735685.db2.gz QERHYHHMMNUXTN-MJBXVCDLSA-N 1 2 350.398 -0.493 20 30 FBEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1n1ccnn1 ZINC001128908262 837735663 /nfs/dbraw/zinc/73/56/63/837735663.db2.gz QZXGRDCUIFKOSQ-HNFMAKEJSA-N 1 2 350.810 -0.488 20 30 FBEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1n1ccnn1 ZINC001128908262 837735650 /nfs/dbraw/zinc/73/56/50/837735650.db2.gz QZXGRDCUIFKOSQ-HNFMAKEJSA-N 1 2 350.810 -0.488 20 30 FBEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1n1ccnn1 ZINC001128908315 837735173 /nfs/dbraw/zinc/73/51/73/837735173.db2.gz QZXGRDCUIFKOSQ-JXLSXLBDSA-N 1 2 350.810 -0.488 20 30 FBEDLO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1n1ccnn1 ZINC001128908315 837735168 /nfs/dbraw/zinc/73/51/68/837735168.db2.gz QZXGRDCUIFKOSQ-JXLSXLBDSA-N 1 2 350.810 -0.488 20 30 FBEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001128961663 837741438 /nfs/dbraw/zinc/74/14/38/837741438.db2.gz GLIYPGJZLXWZMU-DVOMOZLQSA-N 1 2 350.423 -0.965 20 30 FBEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001128961663 837741432 /nfs/dbraw/zinc/74/14/32/837741432.db2.gz GLIYPGJZLXWZMU-DVOMOZLQSA-N 1 2 350.423 -0.965 20 30 FBEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001128961666 837742012 /nfs/dbraw/zinc/74/20/12/837742012.db2.gz GLIYPGJZLXWZMU-WWGRRREGSA-N 1 2 350.423 -0.965 20 30 FBEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001128961666 837742004 /nfs/dbraw/zinc/74/20/04/837742004.db2.gz GLIYPGJZLXWZMU-WWGRRREGSA-N 1 2 350.423 -0.965 20 30 FBEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129031849 837754673 /nfs/dbraw/zinc/75/46/73/837754673.db2.gz IEZOISIVEIXDLX-KGLIPLIRSA-N 1 2 370.479 -0.475 20 30 FBEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129031849 837754661 /nfs/dbraw/zinc/75/46/61/837754661.db2.gz IEZOISIVEIXDLX-KGLIPLIRSA-N 1 2 370.479 -0.475 20 30 FBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CCn2c(C)csc2=O)[C@@H](n2ccnn2)C1 ZINC001129054777 837757019 /nfs/dbraw/zinc/75/70/19/837757019.db2.gz NDYWSHLGHAKJJO-KGLIPLIRSA-N 1 2 360.443 -0.125 20 30 FBEDLO C#CC[N@H+]1C[C@@H](NC(=O)CCn2c(C)csc2=O)[C@@H](n2ccnn2)C1 ZINC001129054777 837757013 /nfs/dbraw/zinc/75/70/13/837757013.db2.gz NDYWSHLGHAKJJO-KGLIPLIRSA-N 1 2 360.443 -0.125 20 30 FBEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001129055076 837756186 /nfs/dbraw/zinc/75/61/86/837756186.db2.gz SRLVUWVRFAGFHG-CABCVRRESA-N 1 2 360.443 -0.031 20 30 FBEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001129055076 837756179 /nfs/dbraw/zinc/75/61/79/837756179.db2.gz SRLVUWVRFAGFHG-CABCVRRESA-N 1 2 360.443 -0.031 20 30 FBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)COCc2nnc(C)s2)[C@@H](n2ccnn2)C1 ZINC001129093247 837762472 /nfs/dbraw/zinc/76/24/72/837762472.db2.gz CHQQFGWPWSNAQA-OLZOCXBDSA-N 1 2 361.431 -0.370 20 30 FBEDLO C#CC[N@H+]1C[C@@H](NC(=O)COCc2nnc(C)s2)[C@@H](n2ccnn2)C1 ZINC001129093247 837762464 /nfs/dbraw/zinc/76/24/64/837762464.db2.gz CHQQFGWPWSNAQA-OLZOCXBDSA-N 1 2 361.431 -0.370 20 30 FBEDLO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](CCC)S(N)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129133668 837763733 /nfs/dbraw/zinc/76/37/33/837763733.db2.gz GBJZMHDLONXOSM-AGIUHOORSA-N 1 2 356.452 -0.737 20 30 FBEDLO C=CC[N@H+]1C[C@@H](NC(=O)[C@H](CCC)S(N)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129133668 837763725 /nfs/dbraw/zinc/76/37/25/837763725.db2.gz GBJZMHDLONXOSM-AGIUHOORSA-N 1 2 356.452 -0.737 20 30 FBEDLO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CCC)S(N)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129133669 837763677 /nfs/dbraw/zinc/76/36/77/837763677.db2.gz GBJZMHDLONXOSM-FRRDWIJNSA-N 1 2 356.452 -0.737 20 30 FBEDLO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](CCC)S(N)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129133669 837763674 /nfs/dbraw/zinc/76/36/74/837763674.db2.gz GBJZMHDLONXOSM-FRRDWIJNSA-N 1 2 356.452 -0.737 20 30 FBEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)COCC(F)F)[C@@H](n2ccnn2)C1 ZINC001129134052 837765329 /nfs/dbraw/zinc/76/53/29/837765329.db2.gz ZWBUAZZSRGGJRS-OLZOCXBDSA-N 1 2 357.361 -0.449 20 30 FBEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)COCC(F)F)[C@@H](n2ccnn2)C1 ZINC001129134052 837765324 /nfs/dbraw/zinc/76/53/24/837765324.db2.gz ZWBUAZZSRGGJRS-OLZOCXBDSA-N 1 2 357.361 -0.449 20 30 FBEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129175283 837768233 /nfs/dbraw/zinc/76/82/33/837768233.db2.gz VPDGBRCVBKLBAF-OLZOCXBDSA-N 1 2 370.479 -0.619 20 30 FBEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129175283 837768223 /nfs/dbraw/zinc/76/82/23/837768223.db2.gz VPDGBRCVBKLBAF-OLZOCXBDSA-N 1 2 370.479 -0.619 20 30 FBEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2csc(=O)[nH]2)[C@@H](n2ccnn2)C1 ZINC001129180014 837768111 /nfs/dbraw/zinc/76/81/11/837768111.db2.gz MGDRPJBHEVLDPC-YPMHNXCESA-N 1 2 362.415 -0.255 20 30 FBEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2csc(=O)[nH]2)[C@@H](n2ccnn2)C1 ZINC001129180014 837768103 /nfs/dbraw/zinc/76/81/03/837768103.db2.gz MGDRPJBHEVLDPC-YPMHNXCESA-N 1 2 362.415 -0.255 20 30 FBEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCF)[C@@H](n2ccnn2)C1 ZINC001129194377 837769240 /nfs/dbraw/zinc/76/92/40/837769240.db2.gz BPVAACQOOYWURX-MCIONIFRSA-N 1 2 350.398 -0.493 20 30 FBEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCF)[C@@H](n2ccnn2)C1 ZINC001129194377 837769233 /nfs/dbraw/zinc/76/92/33/837769233.db2.gz BPVAACQOOYWURX-MCIONIFRSA-N 1 2 350.398 -0.493 20 30 FBEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCF)[C@@H](n2ccnn2)C1 ZINC001129194378 837769339 /nfs/dbraw/zinc/76/93/39/837769339.db2.gz BPVAACQOOYWURX-MJBXVCDLSA-N 1 2 350.398 -0.493 20 30 FBEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCF)[C@@H](n2ccnn2)C1 ZINC001129194378 837769332 /nfs/dbraw/zinc/76/93/32/837769332.db2.gz BPVAACQOOYWURX-MJBXVCDLSA-N 1 2 350.398 -0.493 20 30 FBEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@]2(F)CCOC2)[C@@H](n2ccnn2)C1 ZINC001129194612 837769649 /nfs/dbraw/zinc/76/96/49/837769649.db2.gz JEYZZHTZEBWODD-IJEWVQPXSA-N 1 2 351.382 -0.602 20 30 FBEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(F)CCOC2)[C@@H](n2ccnn2)C1 ZINC001129194612 837769644 /nfs/dbraw/zinc/76/96/44/837769644.db2.gz JEYZZHTZEBWODD-IJEWVQPXSA-N 1 2 351.382 -0.602 20 30 FBEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@]2(F)CCOC2)[C@@H](n2ccnn2)C1 ZINC001129194613 837769462 /nfs/dbraw/zinc/76/94/62/837769462.db2.gz JEYZZHTZEBWODD-YCPHGPKFSA-N 1 2 351.382 -0.602 20 30 FBEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@]2(F)CCOC2)[C@@H](n2ccnn2)C1 ZINC001129194613 837769451 /nfs/dbraw/zinc/76/94/51/837769451.db2.gz JEYZZHTZEBWODD-YCPHGPKFSA-N 1 2 351.382 -0.602 20 30 FBEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129210389 837774315 /nfs/dbraw/zinc/77/43/15/837774315.db2.gz SQHTYMULRNMFST-KGLIPLIRSA-N 1 2 370.479 -0.475 20 30 FBEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1n1ccnn1 ZINC001129210389 837774309 /nfs/dbraw/zinc/77/43/09/837774309.db2.gz SQHTYMULRNMFST-KGLIPLIRSA-N 1 2 370.479 -0.475 20 30 FBEDLO C=CC[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(CC)CC)[C@@H](n2ccnn2)C1 ZINC001129293195 837809151 /nfs/dbraw/zinc/80/91/51/837809151.db2.gz DNHKBKKRCLRDFN-KGLIPLIRSA-N 1 2 370.479 -0.523 20 30 FBEDLO C=CC[N@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(CC)CC)[C@@H](n2ccnn2)C1 ZINC001129293195 837809140 /nfs/dbraw/zinc/80/91/40/837809140.db2.gz DNHKBKKRCLRDFN-KGLIPLIRSA-N 1 2 370.479 -0.523 20 30 FBEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)Cc2cscn2)[C@@H](n2ccnn2)C1 ZINC001129307823 837825710 /nfs/dbraw/zinc/82/57/10/837825710.db2.gz POFVAYLEDBMSPU-CABCVRRESA-N 1 2 360.443 -0.031 20 30 FBEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)Cc2cscn2)[C@@H](n2ccnn2)C1 ZINC001129307823 837825701 /nfs/dbraw/zinc/82/57/01/837825701.db2.gz POFVAYLEDBMSPU-CABCVRRESA-N 1 2 360.443 -0.031 20 30 FBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CC(=O)NCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129359948 839316453 /nfs/dbraw/zinc/31/64/53/839316453.db2.gz QJUXMDBRSYLXFZ-MNOVXSKESA-N 1 2 358.324 -0.679 20 30 FBEDLO C#CC[N@H+]1C[C@@H](NC(=O)CC(=O)NCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129359948 839316447 /nfs/dbraw/zinc/31/64/47/839316447.db2.gz QJUXMDBRSYLXFZ-MNOVXSKESA-N 1 2 358.324 -0.679 20 30 FBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2cscn2)[C@@H](n2ccnn2)C1 ZINC001129369763 839318072 /nfs/dbraw/zinc/31/80/72/839318072.db2.gz FSLFMNMYTRECID-YPMHNXCESA-N 1 2 359.415 -0.861 20 30 FBEDLO C#CC[N@H+]1C[C@@H](NC(=O)CNC(=O)c2cscn2)[C@@H](n2ccnn2)C1 ZINC001129369763 839318064 /nfs/dbraw/zinc/31/80/64/839318064.db2.gz FSLFMNMYTRECID-YPMHNXCESA-N 1 2 359.415 -0.861 20 30 FBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2cccs2)[C@@H](n2ccnn2)C1 ZINC001129417283 839501345 /nfs/dbraw/zinc/50/13/45/839501345.db2.gz DNMBEECPBNJJLR-OLZOCXBDSA-N 1 2 358.427 -0.256 20 30 FBEDLO C#CC[N@H+]1C[C@@H](NC(=O)CNC(=O)c2cccs2)[C@@H](n2ccnn2)C1 ZINC001129417283 839501337 /nfs/dbraw/zinc/50/13/37/839501337.db2.gz DNMBEECPBNJJLR-OLZOCXBDSA-N 1 2 358.427 -0.256 20 30 FBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2ccsc2)[C@@H](n2ccnn2)C1 ZINC001129441525 839504955 /nfs/dbraw/zinc/50/49/55/839504955.db2.gz VOAKZQHAXHDLRS-KGLIPLIRSA-N 1 2 358.427 -0.256 20 30 FBEDLO C#CC[N@H+]1C[C@@H](NC(=O)CNC(=O)c2ccsc2)[C@@H](n2ccnn2)C1 ZINC001129441525 839504944 /nfs/dbraw/zinc/50/49/44/839504944.db2.gz VOAKZQHAXHDLRS-KGLIPLIRSA-N 1 2 358.427 -0.256 20 30 FBEDLO C=CC[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)NC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129445556 839503052 /nfs/dbraw/zinc/50/30/52/839503052.db2.gz PZAXNIANXSCNQF-OLZOCXBDSA-N 1 2 370.479 -0.477 20 30 FBEDLO C=CC[N@H+]1C[C@@H](NC(=O)CS(=O)(=O)NC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129445556 839503046 /nfs/dbraw/zinc/50/30/46/839503046.db2.gz PZAXNIANXSCNQF-OLZOCXBDSA-N 1 2 370.479 -0.477 20 30 FBEDLO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129469973 839506455 /nfs/dbraw/zinc/50/64/55/839506455.db2.gz ACTGUNFEENENTD-MCIONIFRSA-N 1 2 355.464 -0.124 20 30 FBEDLO C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)CS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129469973 839506450 /nfs/dbraw/zinc/50/64/50/839506450.db2.gz ACTGUNFEENENTD-MCIONIFRSA-N 1 2 355.464 -0.124 20 30 FBEDLO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129469978 839506074 /nfs/dbraw/zinc/50/60/74/839506074.db2.gz ACTGUNFEENENTD-MJBXVCDLSA-N 1 2 355.464 -0.124 20 30 FBEDLO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129469978 839506066 /nfs/dbraw/zinc/50/60/66/839506066.db2.gz ACTGUNFEENENTD-MJBXVCDLSA-N 1 2 355.464 -0.124 20 30 FBEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129476350 839506303 /nfs/dbraw/zinc/50/63/03/839506303.db2.gz DEWSWXIFGNWRHV-MCIONIFRSA-N 1 2 350.423 -0.524 20 30 FBEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129476350 839506295 /nfs/dbraw/zinc/50/62/95/839506295.db2.gz DEWSWXIFGNWRHV-MCIONIFRSA-N 1 2 350.423 -0.524 20 30 FBEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129476351 839506261 /nfs/dbraw/zinc/50/62/61/839506261.db2.gz DEWSWXIFGNWRHV-RDBSUJKOSA-N 1 2 350.423 -0.524 20 30 FBEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129476351 839506254 /nfs/dbraw/zinc/50/62/54/839506254.db2.gz DEWSWXIFGNWRHV-RDBSUJKOSA-N 1 2 350.423 -0.524 20 30 FBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CCCCCS(N)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129502962 839509496 /nfs/dbraw/zinc/50/94/96/839509496.db2.gz HRUHDQLXYGPOCP-KGLIPLIRSA-N 1 2 368.463 -0.898 20 30 FBEDLO C#CC[N@H+]1C[C@@H](NC(=O)CCCCCS(N)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129502962 839509491 /nfs/dbraw/zinc/50/94/91/839509491.db2.gz HRUHDQLXYGPOCP-KGLIPLIRSA-N 1 2 368.463 -0.898 20 30 FBEDLO Cn1cc(C[NH2+][C@@H]2CN(C(=O)CSCC#N)C[C@@H]2n2ccnn2)nn1 ZINC001129603641 839520303 /nfs/dbraw/zinc/52/03/03/839520303.db2.gz CYHANUKZRBRYKU-OLZOCXBDSA-N 1 2 361.435 -0.795 20 30 FBEDLO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)CSCC#N)C[C@@H]2n2ccnn2)[nH]1 ZINC001129603759 839520089 /nfs/dbraw/zinc/52/00/89/839520089.db2.gz JDTRPRMETAFSIE-NEPJUHHUSA-N 1 2 361.435 -0.497 20 30 FBEDLO N#CCSCC(=O)N1C[C@@H]([NH2+]Cc2cnns2)[C@@H](n2ccnn2)C1 ZINC001129603935 839521102 /nfs/dbraw/zinc/52/11/02/839521102.db2.gz QGCRIILMNRTOGY-NEPJUHHUSA-N 1 2 364.460 -0.072 20 30 FBEDLO Cn1ncc(C[NH2+][C@@H]2CN(C(=O)CSCC#N)C[C@@H]2n2ccnn2)n1 ZINC001129604095 839520884 /nfs/dbraw/zinc/52/08/84/839520884.db2.gz WSGIPMNUAKXBBC-OLZOCXBDSA-N 1 2 361.435 -0.795 20 30 FBEDLO Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1 ZINC001129608084 839521560 /nfs/dbraw/zinc/52/15/60/839521560.db2.gz KMVVPCNROSOXEZ-OLZOCXBDSA-N 1 2 360.447 -0.190 20 30 FBEDLO Cn1ccc(C[NH2+][C@@H]2CN(C(=O)CSCC#N)C[C@@H]2n2ccnn2)n1 ZINC001129608445 839523120 /nfs/dbraw/zinc/52/31/20/839523120.db2.gz QKPZXIJRWZHPDX-KGLIPLIRSA-N 1 2 360.447 -0.190 20 30 FBEDLO Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1 ZINC001129608793 839522442 /nfs/dbraw/zinc/52/24/42/839522442.db2.gz YYAZNBZKLIXVHU-NEPJUHHUSA-N 1 2 361.435 -0.795 20 30 FBEDLO Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1 ZINC001129608794 839522826 /nfs/dbraw/zinc/52/28/26/839522826.db2.gz ZBNFKHNLRKPGAB-NEPJUHHUSA-N 1 2 361.435 -0.795 20 30 FBEDLO C=C[C@](C)(O)CC(=O)N1C[C@@H]([NH2+]Cc2cnns2)[C@@H](n2ccnn2)C1 ZINC001129795962 839541555 /nfs/dbraw/zinc/54/15/55/839541555.db2.gz WDRQJQKUBOAUBZ-IPYPFGDCSA-N 1 2 363.447 -0.002 20 30 FBEDLO C=C[C@@](C)(O)CC(=O)N1C[C@@H]([NH2+]Cc2cnns2)[C@@H](n2ccnn2)C1 ZINC001129795963 839541477 /nfs/dbraw/zinc/54/14/77/839541477.db2.gz WDRQJQKUBOAUBZ-VNHYZAJKSA-N 1 2 363.447 -0.002 20 30 FBEDLO C#CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cnns2)[C@@H](n2ccnn2)C1 ZINC001129829715 839546571 /nfs/dbraw/zinc/54/65/71/839546571.db2.gz NEQWGMQLJLKSRC-BNOWGMLFSA-N 1 2 361.431 -0.290 20 30 FBEDLO C#CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cnns2)[C@@H](n2ccnn2)C1 ZINC001129829716 839547205 /nfs/dbraw/zinc/54/72/05/839547205.db2.gz NEQWGMQLJLKSRC-YUTCNCBUSA-N 1 2 361.431 -0.290 20 30 FBEDLO C#CCOCCC(=O)N1C[C@@H]([NH2+]Cc2cnns2)[C@@H](n2ccnn2)C1 ZINC001129838376 839549490 /nfs/dbraw/zinc/54/94/90/839549490.db2.gz WFIYGZGRTDBULS-KGLIPLIRSA-N 1 2 361.431 -0.289 20 30 FBEDLO COCC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COC)n[nH]1 ZINC001130173058 839592072 /nfs/dbraw/zinc/59/20/72/839592072.db2.gz CZKANNXTQQIXPQ-STQMWFEESA-N 1 2 351.407 -0.821 20 30 FBEDLO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(C)=O)n[nH]1 ZINC001130173462 839594283 /nfs/dbraw/zinc/59/42/83/839594283.db2.gz SGPKOURNTJUBJY-DRZSPHRISA-N 1 2 350.423 -0.406 20 30 FBEDLO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(C)=O)n[nH]1 ZINC001130173463 839593931 /nfs/dbraw/zinc/59/39/31/839593931.db2.gz SGPKOURNTJUBJY-WXHSDQCUSA-N 1 2 350.423 -0.406 20 30 FBEDLO COCC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(F)F)n[nH]1 ZINC001130175346 839588420 /nfs/dbraw/zinc/58/84/20/839588420.db2.gz JNRADNZYRSBTPI-QWRGUYRKSA-N 1 2 357.361 -0.202 20 30 FBEDLO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CNC(C)=O)n[nH]1 ZINC001130177654 839591370 /nfs/dbraw/zinc/59/13/70/839591370.db2.gz NBSBSCJQLQQLHN-RYUDHWBXSA-N 1 2 370.841 -0.228 20 30 FBEDLO C=CCNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC)n[nH]1 ZINC001130177855 839590587 /nfs/dbraw/zinc/59/05/87/839590587.db2.gz YITCZFMDXAHCDR-RYUDHWBXSA-N 1 2 350.423 -0.405 20 30 FBEDLO COCC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CSC)n[nH]1 ZINC001130181270 839592856 /nfs/dbraw/zinc/59/28/56/839592856.db2.gz FBUWENLYVRAAMI-STQMWFEESA-N 1 2 367.475 -0.104 20 30 FBEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2snnc2C)n[nH]1 ZINC001130183245 839600539 /nfs/dbraw/zinc/60/05/39/839600539.db2.gz YEUDWUNNJKCVLV-QWRGUYRKSA-N 1 2 361.431 -0.010 20 30 FBEDLO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CNC(N)=O)n[nH]1 ZINC001130183248 839600529 /nfs/dbraw/zinc/60/05/29/839600529.db2.gz YGCWKWSZZNIOLZ-UWVGGRQHSA-N 1 2 371.829 -0.696 20 30 FBEDLO C=CCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(=O)NC)n1 ZINC001130192972 839596809 /nfs/dbraw/zinc/59/68/09/839596809.db2.gz CULOSBRFKKFAMO-RYUDHWBXSA-N 1 2 350.423 -0.405 20 30 FBEDLO C=CCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+][C@@H](C)C(N)=O)n1 ZINC001130193061 839597643 /nfs/dbraw/zinc/59/76/43/839597643.db2.gz HBOOZXYENOFZGU-SRVKXCTJSA-N 1 2 350.423 -0.277 20 30 FBEDLO C=CCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+][C@H](C)C(N)=O)n1 ZINC001130193062 839598286 /nfs/dbraw/zinc/59/82/86/839598286.db2.gz HBOOZXYENOFZGU-WOPDTQHZSA-N 1 2 350.423 -0.277 20 30 FBEDLO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC(N)=O)n[nH]1 ZINC001130203227 839601640 /nfs/dbraw/zinc/60/16/40/839601640.db2.gz UMKBLSFAPFILAR-UWVGGRQHSA-N 1 2 356.814 -0.489 20 30 FBEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COCCOC)n[nH]1 ZINC001130203365 839602206 /nfs/dbraw/zinc/60/22/06/839602206.db2.gz ZPWHEKYPGUXSMY-STQMWFEESA-N 1 2 351.407 -0.821 20 30 FBEDLO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC(=O)NC)n[nH]1 ZINC001130204693 839602846 /nfs/dbraw/zinc/60/28/46/839602846.db2.gz FAZFRNKRWYCLJU-QWRGUYRKSA-N 1 2 370.841 -0.228 20 30 FBEDLO C=C(C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)n1 ZINC001130216332 839605717 /nfs/dbraw/zinc/60/57/17/839605717.db2.gz TZKHBPGCEBUNIL-RYUDHWBXSA-N 1 2 350.423 -0.275 20 30 FBEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COCC(F)F)n[nH]1 ZINC001130225069 839607086 /nfs/dbraw/zinc/60/70/86/839607086.db2.gz QWVGQNRWUOANGS-QWRGUYRKSA-N 1 2 357.361 -0.202 20 30 FBEDLO C=CC(C)(C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)n1 ZINC001130227982 839607133 /nfs/dbraw/zinc/60/71/33/839607133.db2.gz XVGKUCJFZVVGSR-QWRGUYRKSA-N 1 2 350.423 -0.420 20 30 FBEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2csc(=O)[nH]2)n[nH]1 ZINC001130229732 839607489 /nfs/dbraw/zinc/60/74/89/839607489.db2.gz BXNLDNIRYQXLCV-ONGXEEELSA-N 1 2 362.415 -0.008 20 30 FBEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](COC)OC)n[nH]1 ZINC001130234712 839609487 /nfs/dbraw/zinc/60/94/87/839609487.db2.gz IUEWVQYWRYYTCN-AVGNSLFASA-N 1 2 351.407 -0.822 20 30 FBEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](COC)OC)n[nH]1 ZINC001130234714 839609915 /nfs/dbraw/zinc/60/99/15/839609915.db2.gz IUEWVQYWRYYTCN-RWMBFGLXSA-N 1 2 351.407 -0.822 20 30 FBEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@]2(F)CCOC2)n[nH]1 ZINC001130235227 839609415 /nfs/dbraw/zinc/60/94/15/839609415.db2.gz ZTMSRKZZCGXHHK-MKBNYLNASA-N 1 2 351.382 -0.355 20 30 FBEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@]2(F)CCOC2)n[nH]1 ZINC001130235228 839609673 /nfs/dbraw/zinc/60/96/73/839609673.db2.gz ZTMSRKZZCGXHHK-MQIPJXDCSA-N 1 2 351.382 -0.355 20 30 FBEDLO C=CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)n1 ZINC001130237957 839609643 /nfs/dbraw/zinc/60/96/43/839609643.db2.gz LZZPEYDHLNHKNP-RYUDHWBXSA-N 1 2 350.423 -0.275 20 30 FBEDLO CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CS(C)(=O)=O)CC1 ZINC001130276525 839615003 /nfs/dbraw/zinc/61/50/03/839615003.db2.gz DHHIAPDGDYLFHW-PBHICJAKSA-N 1 2 369.487 -0.470 20 30 FBEDLO C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CS(C)(=O)=O)CC1 ZINC001130276784 839615440 /nfs/dbraw/zinc/61/54/40/839615440.db2.gz PQOQUAQBJFZKQH-CJNGLKHVSA-N 1 2 355.460 -0.860 20 30 FBEDLO C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)S(C)(=O)=O)CC1 ZINC001130293086 839616649 /nfs/dbraw/zinc/61/66/49/839616649.db2.gz LGECFRDCSHFXOW-BJJXKVORSA-N 1 2 369.487 -0.472 20 30 FBEDLO C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)S(C)(=O)=O)CC1 ZINC001130293090 839616197 /nfs/dbraw/zinc/61/61/97/839616197.db2.gz LGECFRDCSHFXOW-XPKDYRNWSA-N 1 2 369.487 -0.472 20 30 FBEDLO C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CS(=O)(=O)CC)CC1 ZINC001130307466 839617610 /nfs/dbraw/zinc/61/76/10/839617610.db2.gz QYAZBCKEJIJMNF-PBHICJAKSA-N 1 2 369.487 -0.470 20 30 FBEDLO C=CCNC(=O)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC)n2)O1 ZINC001130745199 839639970 /nfs/dbraw/zinc/63/99/70/839639970.db2.gz UZASOPWWJMBUEZ-NWDGAFQWSA-N 1 2 350.423 -0.057 20 30 FBEDLO C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CNC(N)=O)n[nH]2)O1 ZINC001130756708 839643045 /nfs/dbraw/zinc/64/30/45/839643045.db2.gz WGYQBDKNKXCROO-VHSXEESVSA-N 1 2 371.829 -0.349 20 30 FBEDLO C=CCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC(=O)NC)O2)n[nH]1 ZINC001130767239 839645945 /nfs/dbraw/zinc/64/59/45/839645945.db2.gz FEQBRKMRHBFDBB-NWDGAFQWSA-N 1 2 350.423 -0.057 20 30 FBEDLO C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC(N)=O)n[nH]2)O1 ZINC001130776422 839647156 /nfs/dbraw/zinc/64/71/56/839647156.db2.gz DTXJJHFXURBFTG-VHSXEESVSA-N 1 2 356.814 -0.142 20 30 FBEDLO C=CC(C)(C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC(N)=O)O2)n[nH]1 ZINC001130796586 839649285 /nfs/dbraw/zinc/64/92/85/839649285.db2.gz ZGJOYMBHRWXBCX-WDEREUQCSA-N 1 2 350.423 -0.072 20 30 FBEDLO CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001130995951 839663830 /nfs/dbraw/zinc/66/38/30/839663830.db2.gz TYJPBRMRKNVPEL-JHJVBQTASA-N 1 2 368.463 -0.845 20 30 FBEDLO CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001130995952 839663548 /nfs/dbraw/zinc/66/35/48/839663548.db2.gz TYJPBRMRKNVPEL-YNEHKIRRSA-N 1 2 368.463 -0.845 20 30 FBEDLO CC(C)CS(=O)(=O)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131018013 839665333 /nfs/dbraw/zinc/66/53/33/839665333.db2.gz XRHACVGFPWPTAO-ZIAGYGMSSA-N 1 2 367.475 -0.102 20 30 FBEDLO CCC[C@@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1)S(N)(=O)=O ZINC001131038249 839666899 /nfs/dbraw/zinc/66/68/99/839666899.db2.gz HRVNJSMIQGFTRW-BZPMIXESSA-N 1 2 368.463 -0.715 20 30 FBEDLO CCC[C@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1)S(N)(=O)=O ZINC001131038250 839666500 /nfs/dbraw/zinc/66/65/00/839666500.db2.gz HRVNJSMIQGFTRW-YRGRVCCFSA-N 1 2 368.463 -0.715 20 30 FBEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1NCC#N ZINC001131084363 839669708 /nfs/dbraw/zinc/66/97/08/839669708.db2.gz SCETVOAYOFTGEM-VXGBXAGGSA-N 1 2 368.463 -0.845 20 30 FBEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CCCS(C)(=O)=O)C[C@H]1NCC#N ZINC001131089767 839669799 /nfs/dbraw/zinc/66/97/99/839669799.db2.gz YVWSBRDJPXKNMO-CHWSQXEVSA-N 1 2 353.448 -0.348 20 30 FBEDLO 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C[N@H+]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@H]1CO ZINC001171140453 839826432 /nfs/dbraw/zinc/82/64/32/839826432.db2.gz SSZQPEUSKQYXNV-AWEZNQCLSA-N 1 2 366.443 -0.373 20 30 FBEDLO C[N@@H+]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@H]1CO ZINC001171140453 839826428 /nfs/dbraw/zinc/82/64/28/839826428.db2.gz SSZQPEUSKQYXNV-AWEZNQCLSA-N 1 2 366.443 -0.373 20 30 FBEDLO C[N@H+]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@@H]1CO ZINC001171140454 839826847 /nfs/dbraw/zinc/82/68/47/839826847.db2.gz SSZQPEUSKQYXNV-CQSZACIVSA-N 1 2 366.443 -0.373 20 30 FBEDLO C[N@@H+]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@@H]1CO ZINC001171140454 839826841 /nfs/dbraw/zinc/82/68/41/839826841.db2.gz SSZQPEUSKQYXNV-CQSZACIVSA-N 1 2 366.443 -0.373 20 30 FBEDLO CCOC(=O)CO/N=C(\C(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1cc[nH]n1 ZINC001177263061 840313193 /nfs/dbraw/zinc/31/31/93/840313193.db2.gz NXFOZOWPTOZOHH-PFMFLNCGSA-N 1 2 353.379 -0.860 20 30 FBEDLO CCOC(=O)CO/N=C(\C(=O)NC[C@@H]1C[N@H+](C)CCO1)c1cc[nH]n1 ZINC001177263061 840313178 /nfs/dbraw/zinc/31/31/78/840313178.db2.gz NXFOZOWPTOZOHH-PFMFLNCGSA-N 1 2 353.379 -0.860 20 30 FBEDLO CCOC(=O)CO/N=C(\C(=O)NC[C@H]1C[N@@H+](C)CCO1)c1cc[nH]n1 ZINC001177263065 840313935 /nfs/dbraw/zinc/31/39/35/840313935.db2.gz NXFOZOWPTOZOHH-UXNQKTKSSA-N 1 2 353.379 -0.860 20 30 FBEDLO CCOC(=O)CO/N=C(\C(=O)NC[C@H]1C[N@H+](C)CCO1)c1cc[nH]n1 ZINC001177263065 840313925 /nfs/dbraw/zinc/31/39/25/840313925.db2.gz NXFOZOWPTOZOHH-UXNQKTKSSA-N 1 2 353.379 -0.860 20 30 FBEDLO CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001179649857 840363674 /nfs/dbraw/zinc/36/36/74/840363674.db2.gz BJVQXUBRUUTTLJ-XJKSGUPXSA-N 1 2 355.460 -0.258 20 30 FBEDLO CN(C)[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1c[nH+]cn1C ZINC001179651698 840363347 /nfs/dbraw/zinc/36/33/47/840363347.db2.gz NTSOKJCJMKTFNQ-CORIIIEPSA-N 1 2 351.432 -0.580 20 30 FBEDLO CN(C)[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1c[nH+]cn1C ZINC001179651710 840364017 /nfs/dbraw/zinc/36/40/17/840364017.db2.gz 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C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1 ZINC001186916910 840542651 /nfs/dbraw/zinc/54/26/51/840542651.db2.gz AFZYQBXVMVAWGE-QWHCGFSZSA-N 1 2 365.459 -0.212 20 30 FBEDLO N#CCSCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(=O)NC3CC3)C[C@H]21 ZINC001186917354 840542266 /nfs/dbraw/zinc/54/22/66/840542266.db2.gz KVYSQUSQHKSVIS-WCQYABFASA-N 1 2 365.459 -0.236 20 30 FBEDLO N#CCSCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(=O)NC3CC3)C[C@H]21 ZINC001186917354 840542263 /nfs/dbraw/zinc/54/22/63/840542263.db2.gz KVYSQUSQHKSVIS-WCQYABFASA-N 1 2 365.459 -0.236 20 30 FBEDLO CCOCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1 ZINC001186917480 840542475 /nfs/dbraw/zinc/54/24/75/840542475.db2.gz RIZSDHHIUYOFFA-UONOGXRCSA-N 1 2 354.476 -0.071 20 30 FBEDLO CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1 ZINC001186917480 840542467 /nfs/dbraw/zinc/54/24/67/840542467.db2.gz RIZSDHHIUYOFFA-UONOGXRCSA-N 1 2 354.476 -0.071 20 30 FBEDLO CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1 ZINC001186917719 840543052 /nfs/dbraw/zinc/54/30/52/840543052.db2.gz XRMUWTWEPNDXBD-NWDGAFQWSA-N 1 2 353.448 -0.378 20 30 FBEDLO CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1 ZINC001186917719 840543048 /nfs/dbraw/zinc/54/30/48/840543048.db2.gz XRMUWTWEPNDXBD-NWDGAFQWSA-N 1 2 353.448 -0.378 20 30 FBEDLO N#CCSCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001186939134 840540993 /nfs/dbraw/zinc/54/09/93/840540993.db2.gz DROCHYPGEHNVIH-QLFBSQMISA-N 1 2 366.487 -0.071 20 30 FBEDLO N#CCSCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001186939134 840540985 /nfs/dbraw/zinc/54/09/85/840540985.db2.gz DROCHYPGEHNVIH-QLFBSQMISA-N 1 2 366.487 -0.071 20 30 FBEDLO N#CCSCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001186939137 840540637 /nfs/dbraw/zinc/54/06/37/840540637.db2.gz DROCHYPGEHNVIH-SOUVJXGZSA-N 1 2 366.487 -0.071 20 30 FBEDLO N#CCSCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001186939137 840540635 /nfs/dbraw/zinc/54/06/35/840540635.db2.gz 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Cn1cc(Cl)c(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)n1 ZINC001188012400 840600101 /nfs/dbraw/zinc/60/01/01/840600101.db2.gz LNZOIMVNHVLWBA-CMPLNLGQSA-N 1 2 350.810 -0.140 20 30 FBEDLO Cn1ncc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)c1Cl ZINC001188341474 840617916 /nfs/dbraw/zinc/61/79/16/840617916.db2.gz HTTIOSQJNCKWCY-CMPLNLGQSA-N 1 2 350.810 -0.140 20 30 FBEDLO Cn1ncc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)c1Cl ZINC001188341474 840617911 /nfs/dbraw/zinc/61/79/11/840617911.db2.gz HTTIOSQJNCKWCY-CMPLNLGQSA-N 1 2 350.810 -0.140 20 30 FBEDLO C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CS(=O)(=O)CCOC)[C@@H]2C1 ZINC001188375754 840622904 /nfs/dbraw/zinc/62/29/04/840622904.db2.gz LJZIETZFXUCEEX-LSDHHAIUSA-N 1 2 360.476 -0.217 20 30 FBEDLO C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CS(=O)(=O)CCOC)[C@@H]2C1 ZINC001188375754 840622896 /nfs/dbraw/zinc/62/28/96/840622896.db2.gz LJZIETZFXUCEEX-LSDHHAIUSA-N 1 2 360.476 -0.217 20 30 FBEDLO Cn1nc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)cc1Cl ZINC001188509625 840635408 /nfs/dbraw/zinc/63/54/08/840635408.db2.gz CSPZXMURPGPFQI-CMPLNLGQSA-N 1 2 350.810 -0.140 20 30 FBEDLO Cn1nc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)cc1Cl ZINC001188509625 840635403 /nfs/dbraw/zinc/63/54/03/840635403.db2.gz CSPZXMURPGPFQI-CMPLNLGQSA-N 1 2 350.810 -0.140 20 30 FBEDLO Cn1c(Cl)ncc1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001188544156 840637603 /nfs/dbraw/zinc/63/76/03/840637603.db2.gz VWRGRISYRDXNIH-CMPLNLGQSA-N 1 2 350.810 -0.140 20 30 FBEDLO Cn1c(Cl)ncc1C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001188544156 840637593 /nfs/dbraw/zinc/63/75/93/840637593.db2.gz VWRGRISYRDXNIH-CMPLNLGQSA-N 1 2 350.810 -0.140 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3csnn3)[C@@H]2C1 ZINC001188698195 840644072 /nfs/dbraw/zinc/64/40/72/840644072.db2.gz NTNNUPDFJXFYIH-CMPLNLGQSA-N 1 2 364.431 -0.304 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3csnn3)[C@@H]2C1 ZINC001188698195 840644068 /nfs/dbraw/zinc/64/40/68/840644068.db2.gz NTNNUPDFJXFYIH-CMPLNLGQSA-N 1 2 364.431 -0.304 20 30 FBEDLO Cn1cc(CC(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)c(Cl)n1 ZINC001189116986 840661116 /nfs/dbraw/zinc/66/11/16/840661116.db2.gz CGJWBTVYAIRSLN-WCQYABFASA-N 1 2 364.837 -0.212 20 30 FBEDLO Cn1cc(CC(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)c(Cl)n1 ZINC001189116986 840661105 /nfs/dbraw/zinc/66/11/05/840661105.db2.gz CGJWBTVYAIRSLN-WCQYABFASA-N 1 2 364.837 -0.212 20 30 FBEDLO N#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)[C@@H]2C1 ZINC001189253325 840672261 /nfs/dbraw/zinc/67/22/61/840672261.db2.gz MRHHAHNKBHHXTG-WCQYABFASA-N 1 2 350.810 -0.291 20 30 FBEDLO N#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)[C@@H]2C1 ZINC001189253325 840672256 /nfs/dbraw/zinc/67/22/56/840672256.db2.gz MRHHAHNKBHHXTG-WCQYABFASA-N 1 2 350.810 -0.291 20 30 FBEDLO N#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COC3CCOCC3)[C@@H]2C1 ZINC001189283755 840672536 /nfs/dbraw/zinc/67/25/36/840672536.db2.gz 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C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C[C@H]1O ZINC001192524191 840939212 /nfs/dbraw/zinc/93/92/12/840939212.db2.gz FCCCJQDXMZQWBB-MGPQQGTHSA-N 1 2 352.435 -0.426 20 30 FBEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C[C@H]1O ZINC001192524191 840939206 /nfs/dbraw/zinc/93/92/06/840939206.db2.gz FCCCJQDXMZQWBB-MGPQQGTHSA-N 1 2 352.435 -0.426 20 30 FBEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1O ZINC001192524269 840936646 /nfs/dbraw/zinc/93/66/46/840936646.db2.gz GXXNQROQPOVFOT-IIDMSEBBSA-N 1 2 353.463 -0.267 20 30 FBEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1O ZINC001192524269 840936635 /nfs/dbraw/zinc/93/66/35/840936635.db2.gz GXXNQROQPOVFOT-IIDMSEBBSA-N 1 2 353.463 -0.267 20 30 FBEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1O ZINC001192524270 840936879 /nfs/dbraw/zinc/93/68/79/840936879.db2.gz GXXNQROQPOVFOT-RKVPGOIHSA-N 1 2 353.463 -0.267 20 30 FBEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1O ZINC001192524270 840936874 /nfs/dbraw/zinc/93/68/74/840936874.db2.gz GXXNQROQPOVFOT-RKVPGOIHSA-N 1 2 353.463 -0.267 20 30 FBEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CCC#N)C[C@H]1O ZINC001192524538 840937689 /nfs/dbraw/zinc/93/76/89/840937689.db2.gz KCEVAXZDORPVHL-CKEIUWERSA-N 1 2 352.435 -0.763 20 30 FBEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CCC#N)C[C@H]1O ZINC001192524538 840937678 /nfs/dbraw/zinc/93/76/78/840937678.db2.gz KCEVAXZDORPVHL-CKEIUWERSA-N 1 2 352.435 -0.763 20 30 FBEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CCC#N)C[C@H]1O ZINC001192524544 840937859 /nfs/dbraw/zinc/93/78/59/840937859.db2.gz KCEVAXZDORPVHL-CPUCHLNUSA-N 1 2 352.435 -0.763 20 30 FBEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CCC#N)C[C@H]1O ZINC001192524544 840937853 /nfs/dbraw/zinc/93/78/53/840937853.db2.gz KCEVAXZDORPVHL-CPUCHLNUSA-N 1 2 352.435 -0.763 20 30 FBEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCCOCC)C[C@H]1O ZINC001192524802 840941731 /nfs/dbraw/zinc/94/17/31/840941731.db2.gz METHOUQTIJSZIM-ARFHVFGLSA-N 1 2 353.463 -0.118 20 30 FBEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCCOCC)C[C@H]1O ZINC001192524802 840941728 /nfs/dbraw/zinc/94/17/28/840941728.db2.gz METHOUQTIJSZIM-ARFHVFGLSA-N 1 2 353.463 -0.118 20 30 FBEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCCOCC)C[C@H]1O ZINC001192524803 840941843 /nfs/dbraw/zinc/94/18/43/840941843.db2.gz METHOUQTIJSZIM-BZUAXINKSA-N 1 2 353.463 -0.118 20 30 FBEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCCCOCC)C[C@H]1O ZINC001192524803 840941840 /nfs/dbraw/zinc/94/18/40/840941840.db2.gz METHOUQTIJSZIM-BZUAXINKSA-N 1 2 353.463 -0.118 20 30 FBEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NCC=C)C[C@H]1O ZINC001192525655 840942571 /nfs/dbraw/zinc/94/25/71/840942571.db2.gz XNVGXNYPHWYYIN-BFHYXJOUSA-N 1 2 350.419 -0.649 20 30 FBEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NCC=C)C[C@H]1O ZINC001192525655 840942564 /nfs/dbraw/zinc/94/25/64/840942564.db2.gz XNVGXNYPHWYYIN-BFHYXJOUSA-N 1 2 350.419 -0.649 20 30 FBEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NCC=C)C[C@H]1O ZINC001192525657 840942898 /nfs/dbraw/zinc/94/28/98/840942898.db2.gz XNVGXNYPHWYYIN-MGPQQGTHSA-N 1 2 350.419 -0.649 20 30 FBEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NCC=C)C[C@H]1O ZINC001192525657 840942894 /nfs/dbraw/zinc/94/28/94/840942894.db2.gz XNVGXNYPHWYYIN-MGPQQGTHSA-N 1 2 350.419 -0.649 20 30 FBEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1O ZINC001192525684 840942754 /nfs/dbraw/zinc/94/27/54/840942754.db2.gz YCZQFMCBANGOIL-IACUBPJLSA-N 1 2 350.419 -0.672 20 30 FBEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1O ZINC001192525684 840942749 /nfs/dbraw/zinc/94/27/49/840942749.db2.gz YCZQFMCBANGOIL-IACUBPJLSA-N 1 2 350.419 -0.672 20 30 FBEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1O ZINC001192525685 840943061 /nfs/dbraw/zinc/94/30/61/840943061.db2.gz YCZQFMCBANGOIL-MRVWCRGKSA-N 1 2 350.419 -0.672 20 30 FBEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1O ZINC001192525685 840943056 /nfs/dbraw/zinc/94/30/56/840943056.db2.gz YCZQFMCBANGOIL-MRVWCRGKSA-N 1 2 350.419 -0.672 20 30 FBEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1O ZINC001192529763 840943027 /nfs/dbraw/zinc/94/30/27/840943027.db2.gz GXOHOXHOBZOIFP-IIDMSEBBSA-N 1 2 353.463 -0.123 20 30 FBEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1O ZINC001192529763 840943026 /nfs/dbraw/zinc/94/30/26/840943026.db2.gz GXOHOXHOBZOIFP-IIDMSEBBSA-N 1 2 353.463 -0.123 20 30 FBEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1O ZINC001192529766 840942962 /nfs/dbraw/zinc/94/29/62/840942962.db2.gz GXOHOXHOBZOIFP-RKVPGOIHSA-N 1 2 353.463 -0.123 20 30 FBEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1O ZINC001192529766 840942955 /nfs/dbraw/zinc/94/29/55/840942955.db2.gz GXOHOXHOBZOIFP-RKVPGOIHSA-N 1 2 353.463 -0.123 20 30 FBEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cnc(OC)nc2C)C[C@H]1O ZINC001192530103 840942596 /nfs/dbraw/zinc/94/25/96/840942596.db2.gz KFAUUTMYZIZPJW-CKEIUWERSA-N 1 2 350.419 -0.218 20 30 FBEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cnc(OC)nc2C)C[C@H]1O ZINC001192530103 840942592 /nfs/dbraw/zinc/94/25/92/840942592.db2.gz KFAUUTMYZIZPJW-CKEIUWERSA-N 1 2 350.419 -0.218 20 30 FBEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cnc(OC)nc2C)C[C@H]1O ZINC001192530104 840942924 /nfs/dbraw/zinc/94/29/24/840942924.db2.gz KFAUUTMYZIZPJW-CPUCHLNUSA-N 1 2 350.419 -0.218 20 30 FBEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cnc(OC)nc2C)C[C@H]1O ZINC001192530104 840942920 /nfs/dbraw/zinc/94/29/20/840942920.db2.gz KFAUUTMYZIZPJW-CPUCHLNUSA-N 1 2 350.419 -0.218 20 30 FBEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001192531271 840942842 /nfs/dbraw/zinc/94/28/42/840942842.db2.gz UGAGSOPWVIJKAR-FMKPAKJESA-N 1 2 360.476 -0.700 20 30 FBEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001192531271 840942835 /nfs/dbraw/zinc/94/28/35/840942835.db2.gz UGAGSOPWVIJKAR-FMKPAKJESA-N 1 2 360.476 -0.700 20 30 FBEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001192531273 840942942 /nfs/dbraw/zinc/94/29/42/840942942.db2.gz UGAGSOPWVIJKAR-IIAWOOMASA-N 1 2 360.476 -0.700 20 30 FBEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001192531273 840942937 /nfs/dbraw/zinc/94/29/37/840942937.db2.gz UGAGSOPWVIJKAR-IIAWOOMASA-N 1 2 360.476 -0.700 20 30 FBEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CC(=C)C)C[C@H]1O ZINC001192531476 840942678 /nfs/dbraw/zinc/94/26/78/840942678.db2.gz WXYNZBKELWJXMK-IIDMSEBBSA-N 1 2 353.463 -0.101 20 30 FBEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CC(=C)C)C[C@H]1O ZINC001192531476 840942669 /nfs/dbraw/zinc/94/26/69/840942669.db2.gz WXYNZBKELWJXMK-IIDMSEBBSA-N 1 2 353.463 -0.101 20 30 FBEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CC(=C)C)C[C@H]1O ZINC001192531477 840943007 /nfs/dbraw/zinc/94/30/07/840943007.db2.gz WXYNZBKELWJXMK-RKVPGOIHSA-N 1 2 353.463 -0.101 20 30 FBEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CC(=C)C)C[C@H]1O ZINC001192531477 840943004 /nfs/dbraw/zinc/94/30/04/840943004.db2.gz WXYNZBKELWJXMK-RKVPGOIHSA-N 1 2 353.463 -0.101 20 30 FBEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1O ZINC001192540335 840944383 /nfs/dbraw/zinc/94/43/83/840944383.db2.gz ODSKIPCSLFPSFB-IOASZLSFSA-N 1 2 355.460 -0.293 20 30 FBEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1O ZINC001192540335 840944377 /nfs/dbraw/zinc/94/43/77/840944377.db2.gz ODSKIPCSLFPSFB-IOASZLSFSA-N 1 2 355.460 -0.293 20 30 FBEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1O ZINC001192540338 840944332 /nfs/dbraw/zinc/94/43/32/840944332.db2.gz ODSKIPCSLFPSFB-XJKCOSOUSA-N 1 2 355.460 -0.293 20 30 FBEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1O ZINC001192540338 840944323 /nfs/dbraw/zinc/94/43/23/840944323.db2.gz ODSKIPCSLFPSFB-XJKCOSOUSA-N 1 2 355.460 -0.293 20 30 FBEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@](C)(O)C=C)C1 ZINC001192547161 840938958 /nfs/dbraw/zinc/93/89/58/840938958.db2.gz NIRSVIPBEKYSOO-IIDMSEBBSA-N 1 2 351.447 -0.325 20 30 FBEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@](C)(O)C=C)C1 ZINC001192547161 840938951 /nfs/dbraw/zinc/93/89/51/840938951.db2.gz NIRSVIPBEKYSOO-IIDMSEBBSA-N 1 2 351.447 -0.325 20 30 FBEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@](C)(O)C=C)C1 ZINC001192547293 840938860 /nfs/dbraw/zinc/93/88/60/840938860.db2.gz NIRSVIPBEKYSOO-RKVPGOIHSA-N 1 2 351.447 -0.325 20 30 FBEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@](C)(O)C=C)C1 ZINC001192547293 840938858 /nfs/dbraw/zinc/93/88/58/840938858.db2.gz NIRSVIPBEKYSOO-RKVPGOIHSA-N 1 2 351.447 -0.325 20 30 FBEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3(OC)CCC3)C2)C1=O ZINC001192555033 840940656 /nfs/dbraw/zinc/94/06/56/840940656.db2.gz DMVQRTDUBRHROY-QLFBSQMISA-N 1 2 351.447 -0.106 20 30 FBEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC3(OC)CCC3)C2)C1=O ZINC001192555033 840940653 /nfs/dbraw/zinc/94/06/53/840940653.db2.gz DMVQRTDUBRHROY-QLFBSQMISA-N 1 2 351.447 -0.106 20 30 FBEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3(OC)CCC3)C2)C1=O ZINC001192555035 840940447 /nfs/dbraw/zinc/94/04/47/840940447.db2.gz DMVQRTDUBRHROY-RBSFLKMASA-N 1 2 351.447 -0.106 20 30 FBEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC3(OC)CCC3)C2)C1=O ZINC001192555035 840940441 /nfs/dbraw/zinc/94/04/41/840940441.db2.gz DMVQRTDUBRHROY-RBSFLKMASA-N 1 2 351.447 -0.106 20 30 FBEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001192581018 840943478 /nfs/dbraw/zinc/94/34/78/840943478.db2.gz QOKNFSZCOMXENX-WUHRBBMRSA-N 1 2 358.389 -0.189 20 30 FBEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001192581018 840943468 /nfs/dbraw/zinc/94/34/68/840943468.db2.gz QOKNFSZCOMXENX-WUHRBBMRSA-N 1 2 358.389 -0.189 20 30 FBEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](OC)C2CC2)C1 ZINC001192591463 840945813 /nfs/dbraw/zinc/94/58/13/840945813.db2.gz ROSBIPKZORVLQJ-BFYDXBDKSA-N 1 2 351.447 -0.227 20 30 FBEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](OC)C2CC2)C1 ZINC001192591463 840945812 /nfs/dbraw/zinc/94/58/12/840945812.db2.gz ROSBIPKZORVLQJ-BFYDXBDKSA-N 1 2 351.447 -0.227 20 30 FBEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](OC)C2CC2)C1 ZINC001192591464 840945511 /nfs/dbraw/zinc/94/55/11/840945511.db2.gz ROSBIPKZORVLQJ-INMHGKMJSA-N 1 2 351.447 -0.227 20 30 FBEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](OC)C2CC2)C1 ZINC001192591464 840945501 /nfs/dbraw/zinc/94/55/01/840945501.db2.gz ROSBIPKZORVLQJ-INMHGKMJSA-N 1 2 351.447 -0.227 20 30 FBEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](OC)C2CC2)C1 ZINC001192614513 840948224 /nfs/dbraw/zinc/94/82/24/840948224.db2.gz DHNNHQZGAAOEJK-BFYDXBDKSA-N 1 2 353.463 -0.003 20 30 FBEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](OC)C2CC2)C1 ZINC001192614513 840948216 /nfs/dbraw/zinc/94/82/16/840948216.db2.gz DHNNHQZGAAOEJK-BFYDXBDKSA-N 1 2 353.463 -0.003 20 30 FBEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](OC)C2CC2)C1 ZINC001192614515 840948184 /nfs/dbraw/zinc/94/81/84/840948184.db2.gz DHNNHQZGAAOEJK-INMHGKMJSA-N 1 2 353.463 -0.003 20 30 FBEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](OC)C2CC2)C1 ZINC001192614515 840948175 /nfs/dbraw/zinc/94/81/75/840948175.db2.gz DHNNHQZGAAOEJK-INMHGKMJSA-N 1 2 353.463 -0.003 20 30 FBEDLO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001192702339 840955128 /nfs/dbraw/zinc/95/51/28/840955128.db2.gz MNRGVVXVFJCMBU-CHWSQXEVSA-N 1 2 351.432 -0.400 20 30 FBEDLO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001192702339 840955124 /nfs/dbraw/zinc/95/51/24/840955124.db2.gz MNRGVVXVFJCMBU-CHWSQXEVSA-N 1 2 351.432 -0.400 20 30 FBEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)/C=C(/C)CC)C1 ZINC001192722770 840960479 /nfs/dbraw/zinc/96/04/79/840960479.db2.gz SEMHJJXZCMSSQB-GIEACOJWSA-N 1 2 352.435 -0.096 20 30 FBEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)/C=C(/C)CC)C1 ZINC001192722770 840960471 /nfs/dbraw/zinc/96/04/71/840960471.db2.gz SEMHJJXZCMSSQB-GIEACOJWSA-N 1 2 352.435 -0.096 20 30 FBEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)/C=C(\C)CC)C1 ZINC001192722771 840961024 /nfs/dbraw/zinc/96/10/24/840961024.db2.gz SEMHJJXZCMSSQB-JXBUSTNMSA-N 1 2 352.435 -0.096 20 30 FBEDLO 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COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C(C)C)C2)[C@H](OC)C1 ZINC001212354811 837326952 /nfs/dbraw/zinc/32/69/52/837326952.db2.gz KIWNELKRHYPGOL-ARFHVFGLSA-N 1 2 351.447 -0.292 20 30 FBEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)[C@H](OC)C1 ZINC001212354812 837327468 /nfs/dbraw/zinc/32/74/68/837327468.db2.gz KIWNELKRHYPGOL-BZUAXINKSA-N 1 2 351.447 -0.292 20 30 FBEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)[C@H](OC)C1 ZINC001212354812 837327462 /nfs/dbraw/zinc/32/74/62/837327462.db2.gz KIWNELKRHYPGOL-BZUAXINKSA-N 1 2 351.447 -0.292 20 30 FBEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H](OCC)C(=C)C)[C@H](OC)C1 ZINC001212354967 837326990 /nfs/dbraw/zinc/32/69/90/837326990.db2.gz ONGZNEUMENLJLF-BZUAXINKSA-N 1 2 351.447 -0.078 20 30 FBEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H](OCC)C(=C)C)[C@H](OC)C1 ZINC001212354967 837326980 /nfs/dbraw/zinc/32/69/80/837326980.db2.gz ONGZNEUMENLJLF-BZUAXINKSA-N 1 2 351.447 -0.078 20 30 FBEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H](OCC)C(=C)C)[C@H](OC)C1 ZINC001212354968 837327593 /nfs/dbraw/zinc/32/75/93/837327593.db2.gz ONGZNEUMENLJLF-OWCLPIDISA-N 1 2 351.447 -0.078 20 30 FBEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H](OCC)C(=C)C)[C@H](OC)C1 ZINC001212354968 837327585 /nfs/dbraw/zinc/32/75/85/837327585.db2.gz ONGZNEUMENLJLF-OWCLPIDISA-N 1 2 351.447 -0.078 20 30 FBEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CN(C)C(=O)C(C)C)[C@H](OC)C1 ZINC001212357409 837328145 /nfs/dbraw/zinc/32/81/45/837328145.db2.gz GYCCQHOOVYDVRL-ZIAGYGMSSA-N 1 2 354.451 -0.782 20 30 FBEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CN(C)C(=O)C(C)C)[C@H](OC)C1 ZINC001212357409 837328133 /nfs/dbraw/zinc/32/81/33/837328133.db2.gz GYCCQHOOVYDVRL-ZIAGYGMSSA-N 1 2 354.451 -0.782 20 30 FBEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CCCNC(=O)C2CC2)[C@H](OC)C1 ZINC001212365989 837337604 /nfs/dbraw/zinc/33/76/04/837337604.db2.gz VYPFXZZRSQYKTR-HZPDHXFCSA-N 1 2 351.447 -0.242 20 30 FBEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CCCNC(=O)C2CC2)[C@H](OC)C1 ZINC001212365989 837337593 /nfs/dbraw/zinc/33/75/93/837337593.db2.gz VYPFXZZRSQYKTR-HZPDHXFCSA-N 1 2 351.447 -0.242 20 30 FBEDLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001212373258 837342395 /nfs/dbraw/zinc/34/23/95/837342395.db2.gz DBMUSRMABKVATO-CHWSQXEVSA-N 1 2 351.432 -0.136 20 30 FBEDLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001212373258 837342386 /nfs/dbraw/zinc/34/23/86/837342386.db2.gz DBMUSRMABKVATO-CHWSQXEVSA-N 1 2 351.432 -0.136 20 30 FBEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C2(COC)CCOCC2)[C@H](OC)C1 ZINC001212379531 837347552 /nfs/dbraw/zinc/34/75/52/837347552.db2.gz CPJJKVUOGHIVGQ-HZPDHXFCSA-N 1 2 354.447 -0.105 20 30 FBEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C2(COC)CCOCC2)[C@H](OC)C1 ZINC001212379531 837347540 /nfs/dbraw/zinc/34/75/40/837347540.db2.gz CPJJKVUOGHIVGQ-HZPDHXFCSA-N 1 2 354.447 -0.105 20 30 FBEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2(CCOC)CC2)[C@H](OC)C1 ZINC001212389601 837350171 /nfs/dbraw/zinc/35/01/71/837350171.db2.gz VXJUOTLZGSOSGM-RBSFLKMASA-N 1 2 351.447 -0.244 20 30 FBEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2(CCOC)CC2)[C@H](OC)C1 ZINC001212389601 837350160 /nfs/dbraw/zinc/35/01/60/837350160.db2.gz VXJUOTLZGSOSGM-RBSFLKMASA-N 1 2 351.447 -0.244 20 30 FBEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2(CCOC)CC2)[C@H](OC)C1 ZINC001212389603 837349714 /nfs/dbraw/zinc/34/97/14/837349714.db2.gz VXJUOTLZGSOSGM-RRFJBIMHSA-N 1 2 351.447 -0.244 20 30 FBEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2(CCOC)CC2)[C@H](OC)C1 ZINC001212389603 837349699 /nfs/dbraw/zinc/34/96/99/837349699.db2.gz VXJUOTLZGSOSGM-RRFJBIMHSA-N 1 2 351.447 -0.244 20 30 FBEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](CCNS(=O)(=O)CC)C[C@H]2OC)CCC1 ZINC001212393148 837351337 /nfs/dbraw/zinc/35/13/37/837351337.db2.gz FNZNMNHWFIYOAU-HUUCEWRRSA-N 1 2 371.503 -0.065 20 30 FBEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCNS(=O)(=O)CC)C[C@H]2OC)CCC1 ZINC001212393148 837351320 /nfs/dbraw/zinc/35/13/20/837351320.db2.gz FNZNMNHWFIYOAU-HUUCEWRRSA-N 1 2 371.503 -0.065 20 30 FBEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]2OC)CCC1 ZINC001212393247 837351210 /nfs/dbraw/zinc/35/12/10/837351210.db2.gz JVJYXHCUYIVAAR-HUUCEWRRSA-N 1 2 371.503 -0.113 20 30 FBEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]2OC)CCC1 ZINC001212393247 837351198 /nfs/dbraw/zinc/35/11/98/837351198.db2.gz JVJYXHCUYIVAAR-HUUCEWRRSA-N 1 2 371.503 -0.113 20 30 FBEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]2OC)CCC1 ZINC001212393694 837350850 /nfs/dbraw/zinc/35/08/50/837350850.db2.gz USSNRTBXSBBZQH-ZIAGYGMSSA-N 1 2 357.476 -0.455 20 30 FBEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]2OC)CCC1 ZINC001212393694 837350842 /nfs/dbraw/zinc/35/08/42/837350842.db2.gz USSNRTBXSBBZQH-ZIAGYGMSSA-N 1 2 357.476 -0.455 20 30 FBEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC)C[C@H]2OC)CCOCC1 ZINC001212395283 837351602 /nfs/dbraw/zinc/35/16/02/837351602.db2.gz FFAVYIHKXBPYBF-RBSFLKMASA-N 1 2 351.447 -0.244 20 30 FBEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@H]2OC)CCOCC1 ZINC001212395283 837351589 /nfs/dbraw/zinc/35/15/89/837351589.db2.gz FFAVYIHKXBPYBF-RBSFLKMASA-N 1 2 351.447 -0.244 20 30 FBEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC)C[C@H]2OC)CCOCC1 ZINC001212395284 837351783 /nfs/dbraw/zinc/35/17/83/837351783.db2.gz FFAVYIHKXBPYBF-RRFJBIMHSA-N 1 2 351.447 -0.244 20 30 FBEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]2OC)CCOCC1 ZINC001212395284 837351775 /nfs/dbraw/zinc/35/17/75/837351775.db2.gz FFAVYIHKXBPYBF-RRFJBIMHSA-N 1 2 351.447 -0.244 20 30 FBEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+]([C@@H](CC)C(N)=O)C[C@H]2OC)CCOCC1 ZINC001212395429 837351820 /nfs/dbraw/zinc/35/18/20/837351820.db2.gz GUMDLSQDYBBGHH-QLFBSQMISA-N 1 2 351.447 -0.114 20 30 FBEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]2OC)CCOCC1 ZINC001212395429 837351809 /nfs/dbraw/zinc/35/18/09/837351809.db2.gz GUMDLSQDYBBGHH-QLFBSQMISA-N 1 2 351.447 -0.114 20 30 FBEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+]([C@H](CC)C(N)=O)C[C@H]2OC)CCOCC1 ZINC001212395430 837350660 /nfs/dbraw/zinc/35/06/60/837350660.db2.gz GUMDLSQDYBBGHH-RBSFLKMASA-N 1 2 351.447 -0.114 20 30 FBEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+]([C@H](CC)C(N)=O)C[C@H]2OC)CCOCC1 ZINC001212395430 837350656 /nfs/dbraw/zinc/35/06/56/837350656.db2.gz GUMDLSQDYBBGHH-RBSFLKMASA-N 1 2 351.447 -0.114 20 30 FBEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2OC)CCOCC1 ZINC001212395909 837351252 /nfs/dbraw/zinc/35/12/52/837351252.db2.gz TWSYKBFLPSXZAR-HUUCEWRRSA-N 1 2 351.447 -0.290 20 30 FBEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2OC)CCOCC1 ZINC001212395909 837351233 /nfs/dbraw/zinc/35/12/33/837351233.db2.gz TWSYKBFLPSXZAR-HUUCEWRRSA-N 1 2 351.447 -0.290 20 30 FBEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCCn2ccnn2)[C@H](OC)C1 ZINC001212397413 837352148 /nfs/dbraw/zinc/35/21/48/837352148.db2.gz LFNSJGUCZJVRGQ-ZIAGYGMSSA-N 1 2 350.423 -0.824 20 30 FBEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCn2ccnn2)[C@H](OC)C1 ZINC001212397413 837352139 /nfs/dbraw/zinc/35/21/39/837352139.db2.gz LFNSJGUCZJVRGQ-ZIAGYGMSSA-N 1 2 350.423 -0.824 20 30 FBEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC(=O)NC2)[C@H](OC)C1 ZINC001212397513 837353072 /nfs/dbraw/zinc/35/30/72/837353072.db2.gz LPBOVVFVOPOHNG-BFHYXJOUSA-N 1 2 352.435 -0.980 20 30 FBEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC(=O)NC2)[C@H](OC)C1 ZINC001212397513 837353062 /nfs/dbraw/zinc/35/30/62/837353062.db2.gz LPBOVVFVOPOHNG-BFHYXJOUSA-N 1 2 352.435 -0.980 20 30 FBEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)[C@H](OC)C1 ZINC001212397514 837352675 /nfs/dbraw/zinc/35/26/75/837352675.db2.gz LPBOVVFVOPOHNG-MGPQQGTHSA-N 1 2 352.435 -0.980 20 30 FBEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)[C@H](OC)C1 ZINC001212397514 837352665 /nfs/dbraw/zinc/35/26/65/837352665.db2.gz LPBOVVFVOPOHNG-MGPQQGTHSA-N 1 2 352.435 -0.980 20 30 FBEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]2OC)CCC1 ZINC001212399709 837353816 /nfs/dbraw/zinc/35/38/16/837353816.db2.gz QRSIMPAPHGNSQL-JHJVBQTASA-N 1 2 350.419 -0.421 20 30 FBEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]2OC)CCC1 ZINC001212399709 837353806 /nfs/dbraw/zinc/35/38/06/837353806.db2.gz QRSIMPAPHGNSQL-JHJVBQTASA-N 1 2 350.419 -0.421 20 30 FBEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]2OC)CCC1 ZINC001212399711 837354414 /nfs/dbraw/zinc/35/44/14/837354414.db2.gz QRSIMPAPHGNSQL-YNEHKIRRSA-N 1 2 350.419 -0.421 20 30 FBEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]2OC)CCC1 ZINC001212399711 837354407 /nfs/dbraw/zinc/35/44/07/837354407.db2.gz QRSIMPAPHGNSQL-YNEHKIRRSA-N 1 2 350.419 -0.421 20 30 FBEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1OC ZINC001212414529 837365913 /nfs/dbraw/zinc/36/59/13/837365913.db2.gz LVVGORPSDKSLEM-UKRRQHHQSA-N 1 2 370.475 -0.348 20 30 FBEDLO 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C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@@H]1O ZINC001219526993 844898606 /nfs/dbraw/zinc/89/86/06/844898606.db2.gz GXOHOXHOBZOIFP-VKJFTORMSA-N 1 2 353.463 -0.123 20 30 FBEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001219526994 844899404 /nfs/dbraw/zinc/89/94/04/844899404.db2.gz GXXNQROQPOVFOT-RVKKMQEKSA-N 1 2 353.463 -0.267 20 30 FBEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001219526994 844899396 /nfs/dbraw/zinc/89/93/96/844899396.db2.gz GXXNQROQPOVFOT-RVKKMQEKSA-N 1 2 353.463 -0.267 20 30 FBEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001219526998 844898982 /nfs/dbraw/zinc/89/89/82/844898982.db2.gz GXXNQROQPOVFOT-VKJFTORMSA-N 1 2 353.463 -0.267 20 30 FBEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001219526998 844898974 /nfs/dbraw/zinc/89/89/74/844898974.db2.gz GXXNQROQPOVFOT-VKJFTORMSA-N 1 2 353.463 -0.267 20 30 FBEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CCC#N)C[C@@H]1O ZINC001219527225 844899108 /nfs/dbraw/zinc/89/91/08/844899108.db2.gz KCEVAXZDORPVHL-JKIFEVAISA-N 1 2 352.435 -0.763 20 30 FBEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CCC#N)C[C@@H]1O ZINC001219527225 844899102 /nfs/dbraw/zinc/89/91/02/844899102.db2.gz KCEVAXZDORPVHL-JKIFEVAISA-N 1 2 352.435 -0.763 20 30 FBEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CCC#N)C[C@@H]1O ZINC001219527226 844898749 /nfs/dbraw/zinc/89/87/49/844898749.db2.gz KCEVAXZDORPVHL-KEYYUXOJSA-N 1 2 352.435 -0.763 20 30 FBEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CCC#N)C[C@@H]1O ZINC001219527226 844898744 /nfs/dbraw/zinc/89/87/44/844898744.db2.gz KCEVAXZDORPVHL-KEYYUXOJSA-N 1 2 352.435 -0.763 20 30 FBEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cnc(OC)nc2C)C[C@@H]1O ZINC001219527238 844899165 /nfs/dbraw/zinc/89/91/65/844899165.db2.gz KFAUUTMYZIZPJW-JKIFEVAISA-N 1 2 350.419 -0.218 20 30 FBEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cnc(OC)nc2C)C[C@@H]1O ZINC001219527238 844899162 /nfs/dbraw/zinc/89/91/62/844899162.db2.gz KFAUUTMYZIZPJW-JKIFEVAISA-N 1 2 350.419 -0.218 20 30 FBEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cnc(OC)nc2C)C[C@@H]1O ZINC001219527240 844898927 /nfs/dbraw/zinc/89/89/27/844898927.db2.gz KFAUUTMYZIZPJW-KEYYUXOJSA-N 1 2 350.419 -0.218 20 30 FBEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cnc(OC)nc2C)C[C@@H]1O ZINC001219527240 844898925 /nfs/dbraw/zinc/89/89/25/844898925.db2.gz KFAUUTMYZIZPJW-KEYYUXOJSA-N 1 2 350.419 -0.218 20 30 FBEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CC3(OC)CCC3)[C@@H](O)C2)C1=O ZINC001219534578 844901598 /nfs/dbraw/zinc/90/15/98/844901598.db2.gz DMVQRTDUBRHROY-ILXRZTDVSA-N 1 2 351.447 -0.106 20 30 FBEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CC3(OC)CCC3)[C@@H](O)C2)C1=O ZINC001219534578 844901592 /nfs/dbraw/zinc/90/15/92/844901592.db2.gz DMVQRTDUBRHROY-ILXRZTDVSA-N 1 2 351.447 -0.106 20 30 FBEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CC3(OC)CCC3)[C@@H](O)C2)C1=O ZINC001219534579 844901112 /nfs/dbraw/zinc/90/11/12/844901112.db2.gz DMVQRTDUBRHROY-KFWWJZLASA-N 1 2 351.447 -0.106 20 30 FBEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CC3(OC)CCC3)[C@@H](O)C2)C1=O ZINC001219534579 844901105 /nfs/dbraw/zinc/90/11/05/844901105.db2.gz DMVQRTDUBRHROY-KFWWJZLASA-N 1 2 351.447 -0.106 20 30 FBEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@](C)(O)C=C)[C@@H](O)C1 ZINC001219536266 844902782 /nfs/dbraw/zinc/90/27/82/844902782.db2.gz NIRSVIPBEKYSOO-RVKKMQEKSA-N 1 2 351.447 -0.325 20 30 FBEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@](C)(O)C=C)[C@@H](O)C1 ZINC001219536266 844902770 /nfs/dbraw/zinc/90/27/70/844902770.db2.gz NIRSVIPBEKYSOO-RVKKMQEKSA-N 1 2 351.447 -0.325 20 30 FBEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@](C)(O)C=C)[C@@H](O)C1 ZINC001219536268 844903014 /nfs/dbraw/zinc/90/30/14/844903014.db2.gz NIRSVIPBEKYSOO-VKJFTORMSA-N 1 2 351.447 -0.325 20 30 FBEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@](C)(O)C=C)[C@@H](O)C1 ZINC001219536268 844903009 /nfs/dbraw/zinc/90/30/09/844903009.db2.gz NIRSVIPBEKYSOO-VKJFTORMSA-N 1 2 351.447 -0.325 20 30 FBEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@@H]1O ZINC001219536338 844903102 /nfs/dbraw/zinc/90/31/02/844903102.db2.gz ODSKIPCSLFPSFB-DVOMOZLQSA-N 1 2 355.460 -0.293 20 30 FBEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@@H]1O ZINC001219536338 844903099 /nfs/dbraw/zinc/90/30/99/844903099.db2.gz ODSKIPCSLFPSFB-DVOMOZLQSA-N 1 2 355.460 -0.293 20 30 FBEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@@H]1O ZINC001219536346 844902236 /nfs/dbraw/zinc/90/22/36/844902236.db2.gz ODSKIPCSLFPSFB-WWGRRREGSA-N 1 2 355.460 -0.293 20 30 FBEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@@H]1O ZINC001219536346 844902232 /nfs/dbraw/zinc/90/22/32/844902232.db2.gz ODSKIPCSLFPSFB-WWGRRREGSA-N 1 2 355.460 -0.293 20 30 FBEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001219536566 844902606 /nfs/dbraw/zinc/90/26/06/844902606.db2.gz UGAGSOPWVIJKAR-IJEWVQPXSA-N 1 2 360.476 -0.700 20 30 FBEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001219536566 844902601 /nfs/dbraw/zinc/90/26/01/844902601.db2.gz UGAGSOPWVIJKAR-IJEWVQPXSA-N 1 2 360.476 -0.700 20 30 FBEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001219536568 844902821 /nfs/dbraw/zinc/90/28/21/844902821.db2.gz UGAGSOPWVIJKAR-YCPHGPKFSA-N 1 2 360.476 -0.700 20 30 FBEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001219536568 844902814 /nfs/dbraw/zinc/90/28/14/844902814.db2.gz UGAGSOPWVIJKAR-YCPHGPKFSA-N 1 2 360.476 -0.700 20 30 FBEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CC(=C)C)C[C@@H]1O ZINC001219536712 844902224 /nfs/dbraw/zinc/90/22/24/844902224.db2.gz WXYNZBKELWJXMK-RVKKMQEKSA-N 1 2 353.463 -0.101 20 30 FBEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CC(=C)C)C[C@@H]1O ZINC001219536712 844902220 /nfs/dbraw/zinc/90/22/20/844902220.db2.gz WXYNZBKELWJXMK-RVKKMQEKSA-N 1 2 353.463 -0.101 20 30 FBEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CC(=C)C)C[C@@H]1O ZINC001219536713 844902725 /nfs/dbraw/zinc/90/27/25/844902725.db2.gz WXYNZBKELWJXMK-VKJFTORMSA-N 1 2 353.463 -0.101 20 30 FBEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CC(=C)C)C[C@@H]1O ZINC001219536713 844902720 /nfs/dbraw/zinc/90/27/20/844902720.db2.gz WXYNZBKELWJXMK-VKJFTORMSA-N 1 2 353.463 -0.101 20 30 FBEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](OC)C2CC2)[C@@H](O)C1 ZINC001219546411 844903694 /nfs/dbraw/zinc/90/36/94/844903694.db2.gz DHNNHQZGAAOEJK-HLLBOEOZSA-N 1 2 353.463 -0.003 20 30 FBEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](OC)C2CC2)[C@@H](O)C1 ZINC001219546411 844903691 /nfs/dbraw/zinc/90/36/91/844903691.db2.gz DHNNHQZGAAOEJK-HLLBOEOZSA-N 1 2 353.463 -0.003 20 30 FBEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](OC)C2CC2)[C@@H](O)C1 ZINC001219546414 844903670 /nfs/dbraw/zinc/90/36/70/844903670.db2.gz DHNNHQZGAAOEJK-VYDXJSESSA-N 1 2 353.463 -0.003 20 30 FBEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](OC)C2CC2)[C@@H](O)C1 ZINC001219546414 844903667 /nfs/dbraw/zinc/90/36/67/844903667.db2.gz DHNNHQZGAAOEJK-VYDXJSESSA-N 1 2 353.463 -0.003 20 30 FBEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](OC)C2CC2)[C@@H](O)C1 ZINC001219556444 844908538 /nfs/dbraw/zinc/90/85/38/844908538.db2.gz ROSBIPKZORVLQJ-HLLBOEOZSA-N 1 2 351.447 -0.227 20 30 FBEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](OC)C2CC2)[C@@H](O)C1 ZINC001219556444 844908532 /nfs/dbraw/zinc/90/85/32/844908532.db2.gz ROSBIPKZORVLQJ-HLLBOEOZSA-N 1 2 351.447 -0.227 20 30 FBEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](OC)C2CC2)[C@@H](O)C1 ZINC001219556445 844908694 /nfs/dbraw/zinc/90/86/94/844908694.db2.gz ROSBIPKZORVLQJ-VYDXJSESSA-N 1 2 351.447 -0.227 20 30 FBEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](OC)C2CC2)[C@@H](O)C1 ZINC001219556445 844908685 /nfs/dbraw/zinc/90/86/85/844908685.db2.gz ROSBIPKZORVLQJ-VYDXJSESSA-N 1 2 351.447 -0.227 20 30 FBEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(F)F)[C@@H](O)C1 ZINC001219558289 844908734 /nfs/dbraw/zinc/90/87/34/844908734.db2.gz QOKNFSZCOMXENX-RVMXOQNASA-N 1 2 358.389 -0.189 20 30 FBEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(F)F)[C@@H](O)C1 ZINC001219558289 844908725 /nfs/dbraw/zinc/90/87/25/844908725.db2.gz QOKNFSZCOMXENX-RVMXOQNASA-N 1 2 358.389 -0.189 20 30 FBEDLO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001219565992 844911925 /nfs/dbraw/zinc/91/19/25/844911925.db2.gz MNRGVVXVFJCMBU-OLZOCXBDSA-N 1 2 351.432 -0.400 20 30 FBEDLO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001219565992 844911920 /nfs/dbraw/zinc/91/19/20/844911920.db2.gz MNRGVVXVFJCMBU-OLZOCXBDSA-N 1 2 351.432 -0.400 20 30 FBEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@@H]1O ZINC001219572769 844914521 /nfs/dbraw/zinc/91/45/21/844914521.db2.gz AMVUVQULGMMWMH-OLZOCXBDSA-N 1 2 350.419 -0.863 20 30 FBEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@@H]1O ZINC001219572769 844914516 /nfs/dbraw/zinc/91/45/16/844914516.db2.gz AMVUVQULGMMWMH-OLZOCXBDSA-N 1 2 350.419 -0.863 20 30 FBEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001219579006 844916696 /nfs/dbraw/zinc/91/66/96/844916696.db2.gz RQJJUFNAKGWSKR-KGLIPLIRSA-N 1 2 352.435 -0.785 20 30 FBEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001219579006 844916688 /nfs/dbraw/zinc/91/66/88/844916688.db2.gz RQJJUFNAKGWSKR-KGLIPLIRSA-N 1 2 352.435 -0.785 20 30 FBEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001219585431 844917308 /nfs/dbraw/zinc/91/73/08/844917308.db2.gz IUGNLRAJFRRYTN-CABCVRRESA-N 1 2 351.447 -0.347 20 30 FBEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001219585431 844917299 /nfs/dbraw/zinc/91/72/99/844917299.db2.gz IUGNLRAJFRRYTN-CABCVRRESA-N 1 2 351.447 -0.347 20 30 FBEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)/C=C(/C)CC)[C@@H](O)C1 ZINC001219585738 844918115 /nfs/dbraw/zinc/91/81/15/844918115.db2.gz SEMHJJXZCMSSQB-IXVIMSQCSA-N 1 2 352.435 -0.096 20 30 FBEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)/C=C(/C)CC)[C@@H](O)C1 ZINC001219585738 844918110 /nfs/dbraw/zinc/91/81/10/844918110.db2.gz SEMHJJXZCMSSQB-IXVIMSQCSA-N 1 2 352.435 -0.096 20 30 FBEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)/C=C(\C)CC)[C@@H](O)C1 ZINC001219585739 844917435 /nfs/dbraw/zinc/91/74/35/844917435.db2.gz SEMHJJXZCMSSQB-NJHQBVJRSA-N 1 2 352.435 -0.096 20 30 FBEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)/C=C(\C)CC)[C@@H](O)C1 ZINC001219585739 844917429 /nfs/dbraw/zinc/91/74/29/844917429.db2.gz SEMHJJXZCMSSQB-NJHQBVJRSA-N 1 2 352.435 -0.096 20 30 FBEDLO 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C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@@H]1O ZINC001219605349 844926334 /nfs/dbraw/zinc/92/63/34/844926334.db2.gz PDBZPHHAUVMMDR-XHSDSOJGSA-N 1 2 351.447 -0.411 20 30 FBEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@@H]1O ZINC001219605349 844926329 /nfs/dbraw/zinc/92/63/29/844926329.db2.gz PDBZPHHAUVMMDR-XHSDSOJGSA-N 1 2 351.447 -0.411 20 30 FBEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(CCC)CCC)C[C@@H]1O ZINC001219605388 844926316 /nfs/dbraw/zinc/92/63/16/844926316.db2.gz QRFQKILVNYCTTB-OAGGEKHMSA-N 1 2 353.463 -0.165 20 30 FBEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(CCC)CCC)C[C@@H]1O ZINC001219605388 844926310 /nfs/dbraw/zinc/92/63/10/844926310.db2.gz QRFQKILVNYCTTB-OAGGEKHMSA-N 1 2 353.463 -0.165 20 30 FBEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(CCC)CCC)C[C@@H]1O ZINC001219605389 844926071 /nfs/dbraw/zinc/92/60/71/844926071.db2.gz QRFQKILVNYCTTB-XHSDSOJGSA-N 1 2 353.463 -0.165 20 30 FBEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(CCC)CCC)C[C@@H]1O ZINC001219605389 844926067 /nfs/dbraw/zinc/92/60/67/844926067.db2.gz QRFQKILVNYCTTB-XHSDSOJGSA-N 1 2 353.463 -0.165 20 30 FBEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001219605500 844926085 /nfs/dbraw/zinc/92/60/85/844926085.db2.gz UIYWRWUXOIWUKA-OAGGEKHMSA-N 1 2 353.463 -0.169 20 30 FBEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001219605500 844926081 /nfs/dbraw/zinc/92/60/81/844926081.db2.gz UIYWRWUXOIWUKA-OAGGEKHMSA-N 1 2 353.463 -0.169 20 30 FBEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001219605501 844926407 /nfs/dbraw/zinc/92/64/07/844926407.db2.gz UIYWRWUXOIWUKA-XHSDSOJGSA-N 1 2 353.463 -0.169 20 30 FBEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001219605501 844926399 /nfs/dbraw/zinc/92/63/99/844926399.db2.gz UIYWRWUXOIWUKA-XHSDSOJGSA-N 1 2 353.463 -0.169 20 30 FBEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001219605682 844926506 /nfs/dbraw/zinc/92/65/06/844926506.db2.gz ZKPXHUWESDENLW-CFVMTHIKSA-N 1 2 358.460 -0.989 20 30 FBEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001219605682 844926499 /nfs/dbraw/zinc/92/64/99/844926499.db2.gz ZKPXHUWESDENLW-CFVMTHIKSA-N 1 2 358.460 -0.989 20 30 FBEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001219605683 844925953 /nfs/dbraw/zinc/92/59/53/844925953.db2.gz ZKPXHUWESDENLW-YUELXQCFSA-N 1 2 358.460 -0.989 20 30 FBEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001219605683 844925940 /nfs/dbraw/zinc/92/59/40/844925940.db2.gz ZKPXHUWESDENLW-YUELXQCFSA-N 1 2 358.460 -0.989 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219609132 844927436 /nfs/dbraw/zinc/92/74/36/844927436.db2.gz CZJMKMPKLWPLCR-KFWWJZLASA-N 1 2 358.460 -0.988 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219609132 844927434 /nfs/dbraw/zinc/92/74/34/844927434.db2.gz CZJMKMPKLWPLCR-KFWWJZLASA-N 1 2 358.460 -0.988 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219609133 844926915 /nfs/dbraw/zinc/92/69/15/844926915.db2.gz CZJMKMPKLWPLCR-ZNMIVQPWSA-N 1 2 358.460 -0.988 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC001219609133 844926909 /nfs/dbraw/zinc/92/69/09/844926909.db2.gz CZJMKMPKLWPLCR-ZNMIVQPWSA-N 1 2 358.460 -0.988 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001219609291 844927062 /nfs/dbraw/zinc/92/70/62/844927062.db2.gz KTCLFMJLMRBIFG-KFWWJZLASA-N 1 2 358.460 -0.988 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001219609291 844927055 /nfs/dbraw/zinc/92/70/55/844927055.db2.gz KTCLFMJLMRBIFG-KFWWJZLASA-N 1 2 358.460 -0.988 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001219609292 844927512 /nfs/dbraw/zinc/92/75/12/844927512.db2.gz KTCLFMJLMRBIFG-ZNMIVQPWSA-N 1 2 358.460 -0.988 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC001219609292 844927507 /nfs/dbraw/zinc/92/75/07/844927507.db2.gz KTCLFMJLMRBIFG-ZNMIVQPWSA-N 1 2 358.460 -0.988 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001219609365 844927083 /nfs/dbraw/zinc/92/70/83/844927083.db2.gz NVYKJXXXOOSGCS-ILXRZTDVSA-N 1 2 351.447 -0.413 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001219609365 844927077 /nfs/dbraw/zinc/92/70/77/844927077.db2.gz NVYKJXXXOOSGCS-ILXRZTDVSA-N 1 2 351.447 -0.413 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001219609366 844927526 /nfs/dbraw/zinc/92/75/26/844927526.db2.gz NVYKJXXXOOSGCS-KFWWJZLASA-N 1 2 351.447 -0.413 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001219609366 844927522 /nfs/dbraw/zinc/92/75/22/844927522.db2.gz NVYKJXXXOOSGCS-KFWWJZLASA-N 1 2 351.447 -0.413 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001219609422 844927040 /nfs/dbraw/zinc/92/70/40/844927040.db2.gz QGRIRFPTZKKAMN-CABCVRRESA-N 1 2 358.460 -0.988 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001219609422 844927032 /nfs/dbraw/zinc/92/70/32/844927032.db2.gz QGRIRFPTZKKAMN-CABCVRRESA-N 1 2 358.460 -0.988 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@H]2C)C[C@@H]1O ZINC001219611727 844926986 /nfs/dbraw/zinc/92/69/86/844926986.db2.gz GQVOUBCMXBPFCY-OAGGEKHMSA-N 1 2 351.447 -0.411 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C)C[C@@H]1O ZINC001219611727 844926979 /nfs/dbraw/zinc/92/69/79/844926979.db2.gz GQVOUBCMXBPFCY-OAGGEKHMSA-N 1 2 351.447 -0.411 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@@H]2C)C[C@@H]1O ZINC001219611728 844927574 /nfs/dbraw/zinc/92/75/74/844927574.db2.gz GQVOUBCMXBPFCY-XHSDSOJGSA-N 1 2 351.447 -0.411 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C)C[C@@H]1O ZINC001219611728 844927571 /nfs/dbraw/zinc/92/75/71/844927571.db2.gz GQVOUBCMXBPFCY-XHSDSOJGSA-N 1 2 351.447 -0.411 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001219611892 844927415 /nfs/dbraw/zinc/92/74/15/844927415.db2.gz ORYGULNDTQZCQL-CVEARBPZSA-N 1 2 351.447 -0.554 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001219611892 844927411 /nfs/dbraw/zinc/92/74/11/844927411.db2.gz ORYGULNDTQZCQL-CVEARBPZSA-N 1 2 351.447 -0.554 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@@H]1O ZINC001219612052 844928752 /nfs/dbraw/zinc/92/87/52/844928752.db2.gz XACCFMNIGXRCJO-KGLIPLIRSA-N 1 2 353.444 -0.581 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@@H]1O ZINC001219612052 844928744 /nfs/dbraw/zinc/92/87/44/844928744.db2.gz XACCFMNIGXRCJO-KGLIPLIRSA-N 1 2 353.444 -0.581 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@@H]1O ZINC001219613494 844928020 /nfs/dbraw/zinc/92/80/20/844928020.db2.gz IOKXUZJKHARZIK-OAGGEKHMSA-N 1 2 351.447 -0.554 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@@H]1O ZINC001219613494 844928016 /nfs/dbraw/zinc/92/80/16/844928016.db2.gz IOKXUZJKHARZIK-OAGGEKHMSA-N 1 2 351.447 -0.554 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H](C)C2)C[C@@H]1O ZINC001219613495 844928631 /nfs/dbraw/zinc/92/86/31/844928631.db2.gz IOKXUZJKHARZIK-XHSDSOJGSA-N 1 2 351.447 -0.554 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C)C2)C[C@@H]1O ZINC001219613495 844928624 /nfs/dbraw/zinc/92/86/24/844928624.db2.gz IOKXUZJKHARZIK-XHSDSOJGSA-N 1 2 351.447 -0.554 20 30 FBEDLO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001219613496 844928177 /nfs/dbraw/zinc/92/81/77/844928177.db2.gz IOZJKXSURPIWKB-CABCVRRESA-N 1 2 366.443 -0.841 20 30 FBEDLO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001219613496 844928172 /nfs/dbraw/zinc/92/81/72/844928172.db2.gz IOZJKXSURPIWKB-CABCVRRESA-N 1 2 366.443 -0.841 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CC(=C)C)C[C@@H]1O ZINC001219613527 844928780 /nfs/dbraw/zinc/92/87/80/844928780.db2.gz KNYGYWQDTAIWMD-CVEARBPZSA-N 1 2 351.447 -0.388 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CC(=C)C)C[C@@H]1O ZINC001219613527 844928776 /nfs/dbraw/zinc/92/87/76/844928776.db2.gz KNYGYWQDTAIWMD-CVEARBPZSA-N 1 2 351.447 -0.388 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001219613997 844929436 /nfs/dbraw/zinc/92/94/36/844929436.db2.gz XOHDQTGGDDSVSV-CVEARBPZSA-N 1 2 353.463 -0.167 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001219613997 844929433 /nfs/dbraw/zinc/92/94/33/844929433.db2.gz XOHDQTGGDDSVSV-CVEARBPZSA-N 1 2 353.463 -0.167 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@@H]1O ZINC001219614017 844929798 /nfs/dbraw/zinc/92/97/98/844929798.db2.gz YQPXGNSNVNGWFG-CVEARBPZSA-N 1 2 351.447 -0.410 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@@H]1O ZINC001219614017 844929789 /nfs/dbraw/zinc/92/97/89/844929789.db2.gz YQPXGNSNVNGWFG-CVEARBPZSA-N 1 2 351.447 -0.410 20 30 FBEDLO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001219614024 844929994 /nfs/dbraw/zinc/92/99/94/844929994.db2.gz YWIRRETXEYYEDI-CVEARBPZSA-N 1 2 365.455 -0.861 20 30 FBEDLO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001219614024 844929989 /nfs/dbraw/zinc/92/99/89/844929989.db2.gz YWIRRETXEYYEDI-CVEARBPZSA-N 1 2 365.455 -0.861 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CCC)CCC)C[C@@H]1O ZINC001219614029 844929763 /nfs/dbraw/zinc/92/97/63/844929763.db2.gz ZCTBJHMRFIBUBG-CVEARBPZSA-N 1 2 353.463 -0.164 20 30 FBEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(CCC)CCC)C[C@@H]1O ZINC001219614029 844929759 /nfs/dbraw/zinc/92/97/59/844929759.db2.gz 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C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)COc2ccsc2)[C@@H](O)C1 ZINC001220774737 845388260 /nfs/dbraw/zinc/38/82/60/845388260.db2.gz RHLJEJLLNLULGP-YUTCNCBUSA-N 1 2 351.428 -0.574 20 30 FBEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC(=O)NCCC)[C@@H](O)C1 ZINC001220783222 845389729 /nfs/dbraw/zinc/38/97/29/845389729.db2.gz AEHMRPXPPKEOIN-MCIONIFRSA-N 1 2 354.451 -0.855 20 30 FBEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC(=O)NCCC)[C@@H](O)C1 ZINC001220783222 845389721 /nfs/dbraw/zinc/38/97/21/845389721.db2.gz AEHMRPXPPKEOIN-MCIONIFRSA-N 1 2 354.451 -0.855 20 30 FBEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC(=O)NCCC)[C@@H](O)C1 ZINC001220783223 845390167 /nfs/dbraw/zinc/39/01/67/845390167.db2.gz AEHMRPXPPKEOIN-MJBXVCDLSA-N 1 2 354.451 -0.855 20 30 FBEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC(=O)NCCC)[C@@H](O)C1 ZINC001220783223 845390164 /nfs/dbraw/zinc/39/01/64/845390164.db2.gz AEHMRPXPPKEOIN-MJBXVCDLSA-N 1 2 354.451 -0.855 20 30 FBEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@@H](O)C1 ZINC001220785339 845391730 /nfs/dbraw/zinc/39/17/30/845391730.db2.gz LRNNEJWQHGNIDL-MCIONIFRSA-N 1 2 354.451 -0.903 20 30 FBEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@@H](O)C1 ZINC001220785339 845391727 /nfs/dbraw/zinc/39/17/27/845391727.db2.gz LRNNEJWQHGNIDL-MCIONIFRSA-N 1 2 354.451 -0.903 20 30 FBEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@@H](O)C1 ZINC001220785340 845391193 /nfs/dbraw/zinc/39/11/93/845391193.db2.gz LRNNEJWQHGNIDL-MJBXVCDLSA-N 1 2 354.451 -0.903 20 30 FBEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@@H](O)C1 ZINC001220785340 845391188 /nfs/dbraw/zinc/39/11/88/845391188.db2.gz LRNNEJWQHGNIDL-MJBXVCDLSA-N 1 2 354.451 -0.903 20 30 FBEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC(=O)NCCC)[C@@H](O)C1 ZINC001220787193 845393263 /nfs/dbraw/zinc/39/32/63/845393263.db2.gz WYHMTGMKTVRIOQ-KGLIPLIRSA-N 1 2 354.451 -0.854 20 30 FBEDLO 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N#CCSCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001221294499 845561735 /nfs/dbraw/zinc/56/17/35/845561735.db2.gz UPEFZDYIOYWBDP-RRFJBIMHSA-N 1 2 366.487 -0.071 20 30 FBEDLO N#CCSCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001221294499 845561723 /nfs/dbraw/zinc/56/17/23/845561723.db2.gz UPEFZDYIOYWBDP-RRFJBIMHSA-N 1 2 366.487 -0.071 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)OCC)[C@@H]2C1 ZINC001221306082 845564206 /nfs/dbraw/zinc/56/42/06/845564206.db2.gz YAYLVECKLYHDQH-BFHYXJOUSA-N 1 2 352.435 -0.044 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)OCC)[C@@H]2C1 ZINC001221306082 845564199 /nfs/dbraw/zinc/56/41/99/845564199.db2.gz YAYLVECKLYHDQH-BFHYXJOUSA-N 1 2 352.435 -0.044 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)OCC)[C@@H]2C1 ZINC001221306083 845563818 /nfs/dbraw/zinc/56/38/18/845563818.db2.gz YAYLVECKLYHDQH-MGPQQGTHSA-N 1 2 352.435 -0.044 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)OCC)[C@@H]2C1 ZINC001221306083 845563817 /nfs/dbraw/zinc/56/38/17/845563817.db2.gz YAYLVECKLYHDQH-MGPQQGTHSA-N 1 2 352.435 -0.044 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCOC)[C@@H]2C1 ZINC001221319914 845565870 /nfs/dbraw/zinc/56/58/70/845565870.db2.gz NJVKHAHXPGFSPT-ZIAGYGMSSA-N 1 2 352.435 -0.043 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCOC)[C@@H]2C1 ZINC001221319914 845565864 /nfs/dbraw/zinc/56/58/64/845565864.db2.gz NJVKHAHXPGFSPT-ZIAGYGMSSA-N 1 2 352.435 -0.043 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCOC3)[C@@H]2C1 ZINC001221386657 845572006 /nfs/dbraw/zinc/57/20/06/845572006.db2.gz MFXGZWRPIDZPEF-HZSPNIEDSA-N 1 2 350.419 -0.433 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCOC3)[C@@H]2C1 ZINC001221386657 845572001 /nfs/dbraw/zinc/57/20/01/845572001.db2.gz MFXGZWRPIDZPEF-HZSPNIEDSA-N 1 2 350.419 -0.433 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCOC3)[C@@H]2C1 ZINC001221386660 845572181 /nfs/dbraw/zinc/57/21/81/845572181.db2.gz MFXGZWRPIDZPEF-MGPQQGTHSA-N 1 2 350.419 -0.433 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCOC3)[C@@H]2C1 ZINC001221386660 845572179 /nfs/dbraw/zinc/57/21/79/845572179.db2.gz MFXGZWRPIDZPEF-MGPQQGTHSA-N 1 2 350.419 -0.433 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)COC(C)C)[C@@H]2C1 ZINC001221402799 845573179 /nfs/dbraw/zinc/57/31/79/845573179.db2.gz FJESNJYQWLKGCU-ZIAGYGMSSA-N 1 2 352.435 -0.044 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)COC(C)C)[C@@H]2C1 ZINC001221402799 845573171 /nfs/dbraw/zinc/57/31/71/845573171.db2.gz FJESNJYQWLKGCU-ZIAGYGMSSA-N 1 2 352.435 -0.044 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)COCCC)[C@@H]2C1 ZINC001221415792 845575786 /nfs/dbraw/zinc/57/57/86/845575786.db2.gz JTFIBGHQFNHTLO-ZIAGYGMSSA-N 1 2 352.435 -0.043 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)COCCC)[C@@H]2C1 ZINC001221415792 845575782 /nfs/dbraw/zinc/57/57/82/845575782.db2.gz JTFIBGHQFNHTLO-ZIAGYGMSSA-N 1 2 352.435 -0.043 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)OC)[C@@H]2C1 ZINC001221417824 845574888 /nfs/dbraw/zinc/57/48/88/845574888.db2.gz YDQRGUCDZSQGEK-MCIONIFRSA-N 1 2 352.435 -0.044 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)OC)[C@@H]2C1 ZINC001221417824 845574878 /nfs/dbraw/zinc/57/48/78/845574878.db2.gz YDQRGUCDZSQGEK-MCIONIFRSA-N 1 2 352.435 -0.044 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)OC)[C@@H]2C1 ZINC001221417825 845575620 /nfs/dbraw/zinc/57/56/20/845575620.db2.gz YDQRGUCDZSQGEK-MGPQQGTHSA-N 1 2 352.435 -0.044 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)OC)[C@@H]2C1 ZINC001221417825 845575617 /nfs/dbraw/zinc/57/56/17/845575617.db2.gz YDQRGUCDZSQGEK-MGPQQGTHSA-N 1 2 352.435 -0.044 20 30 FBEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001221423686 845575512 /nfs/dbraw/zinc/57/55/12/845575512.db2.gz ODDOMJJSYWWPCG-BFHYXJOUSA-N 1 2 352.435 -0.044 20 30 FBEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001221423686 845575510 /nfs/dbraw/zinc/57/55/10/845575510.db2.gz ODDOMJJSYWWPCG-BFHYXJOUSA-N 1 2 352.435 -0.044 20 30 FBEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001221423687 845575745 /nfs/dbraw/zinc/57/57/45/845575745.db2.gz ODDOMJJSYWWPCG-MGPQQGTHSA-N 1 2 352.435 -0.044 20 30 FBEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001221423687 845575741 /nfs/dbraw/zinc/57/57/41/845575741.db2.gz ODDOMJJSYWWPCG-MGPQQGTHSA-N 1 2 352.435 -0.044 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)OC)[C@@H]2C1 ZINC001221430701 845575575 /nfs/dbraw/zinc/57/55/75/845575575.db2.gz NCNFDGYCGIHXFC-BFHYXJOUSA-N 1 2 352.435 -0.044 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)OC)[C@@H]2C1 ZINC001221430701 845575568 /nfs/dbraw/zinc/57/55/68/845575568.db2.gz NCNFDGYCGIHXFC-BFHYXJOUSA-N 1 2 352.435 -0.044 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)OC)[C@@H]2C1 ZINC001221430702 845575696 /nfs/dbraw/zinc/57/56/96/845575696.db2.gz NCNFDGYCGIHXFC-MGPQQGTHSA-N 1 2 352.435 -0.044 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)OC)[C@@H]2C1 ZINC001221430702 845575692 /nfs/dbraw/zinc/57/56/92/845575692.db2.gz NCNFDGYCGIHXFC-MGPQQGTHSA-N 1 2 352.435 -0.044 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCOCC)[C@@H]2C1 ZINC001221433074 845574553 /nfs/dbraw/zinc/57/45/53/845574553.db2.gz TVYXKAWVJNKCJE-ZIAGYGMSSA-N 1 2 352.435 -0.043 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCOCC)[C@@H]2C1 ZINC001221433074 845574550 /nfs/dbraw/zinc/57/45/50/845574550.db2.gz TVYXKAWVJNKCJE-ZIAGYGMSSA-N 1 2 352.435 -0.043 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)COC)[C@@H]2C1 ZINC001221440366 845577464 /nfs/dbraw/zinc/57/74/64/845577464.db2.gz YFZHJBMBIBVJHF-BFHYXJOUSA-N 1 2 352.435 -0.187 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)COC)[C@@H]2C1 ZINC001221440366 845577458 /nfs/dbraw/zinc/57/74/58/845577458.db2.gz YFZHJBMBIBVJHF-BFHYXJOUSA-N 1 2 352.435 -0.187 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)COC)[C@@H]2C1 ZINC001221440367 845576674 /nfs/dbraw/zinc/57/66/74/845576674.db2.gz YFZHJBMBIBVJHF-MGPQQGTHSA-N 1 2 352.435 -0.187 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)COC)[C@@H]2C1 ZINC001221440367 845576669 /nfs/dbraw/zinc/57/66/69/845576669.db2.gz YFZHJBMBIBVJHF-MGPQQGTHSA-N 1 2 352.435 -0.187 20 30 FBEDLO C=CCOCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001221441452 845577105 /nfs/dbraw/zinc/57/71/05/845577105.db2.gz GTHXGRZVRVYKJO-ARFHVFGLSA-N 1 2 351.447 -0.031 20 30 FBEDLO C=CCOCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001221441452 845577098 /nfs/dbraw/zinc/57/70/98/845577098.db2.gz GTHXGRZVRVYKJO-ARFHVFGLSA-N 1 2 351.447 -0.031 20 30 FBEDLO C=CCOCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCO[C@H](C)C3)C[C@H]21 ZINC001221441453 845577624 /nfs/dbraw/zinc/57/76/24/845577624.db2.gz GTHXGRZVRVYKJO-BZUAXINKSA-N 1 2 351.447 -0.031 20 30 FBEDLO C=CCOCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCO[C@H](C)C3)C[C@H]21 ZINC001221441453 845577619 /nfs/dbraw/zinc/57/76/19/845577619.db2.gz GTHXGRZVRVYKJO-BZUAXINKSA-N 1 2 351.447 -0.031 20 30 FBEDLO C=CCOCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(=O)NC(=O)NCC)C[C@H]21 ZINC001221442945 845576520 /nfs/dbraw/zinc/57/65/20/845576520.db2.gz CUVMVFRUHNCGAL-BFHYXJOUSA-N 1 2 352.435 -0.044 20 30 FBEDLO C=CCOCC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC)C[C@H]21 ZINC001221442945 845576511 /nfs/dbraw/zinc/57/65/11/845576511.db2.gz CUVMVFRUHNCGAL-BFHYXJOUSA-N 1 2 352.435 -0.044 20 30 FBEDLO C=CCOCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(=O)NC(=O)NCC)C[C@H]21 ZINC001221442946 845576807 /nfs/dbraw/zinc/57/68/07/845576807.db2.gz CUVMVFRUHNCGAL-MGPQQGTHSA-N 1 2 352.435 -0.044 20 30 FBEDLO C=CCOCC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(=O)NC(=O)NCC)C[C@H]21 ZINC001221442946 845576801 /nfs/dbraw/zinc/57/68/01/845576801.db2.gz CUVMVFRUHNCGAL-MGPQQGTHSA-N 1 2 352.435 -0.044 20 30 FBEDLO C=CCOCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(=O)NCCC)C[C@H]21 ZINC001221443052 845577651 /nfs/dbraw/zinc/57/76/51/845577651.db2.gz IRJLTQHGFCDCLI-ZIAGYGMSSA-N 1 2 352.435 -0.043 20 30 FBEDLO C=CCOCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(=O)NCCC)C[C@H]21 ZINC001221443052 845577648 /nfs/dbraw/zinc/57/76/48/845577648.db2.gz IRJLTQHGFCDCLI-ZIAGYGMSSA-N 1 2 352.435 -0.043 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)COCC=C)[C@@H]2C1 ZINC001221443070 845577730 /nfs/dbraw/zinc/57/77/30/845577730.db2.gz JFJTUGAOPIFDGU-ZIAGYGMSSA-N 1 2 350.419 -0.267 20 30 FBEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)COCC=C)[C@@H]2C1 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ZINC001221545033 845601288 /nfs/dbraw/zinc/60/12/88/845601288.db2.gz SYXLOUHUYNIVLI-RRFJBIMHSA-N 1 2 357.476 -0.503 20 30 FBEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](CCNS(=O)(=O)CC)C[C@H]21 ZINC001221545033 845601285 /nfs/dbraw/zinc/60/12/85/845601285.db2.gz SYXLOUHUYNIVLI-RRFJBIMHSA-N 1 2 357.476 -0.503 20 30 FBEDLO C#CCOCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCCCOC)C[C@H]21 ZINC001221545056 845601726 /nfs/dbraw/zinc/60/17/26/845601726.db2.gz UQTUQVKOBGPKCM-HZPDHXFCSA-N 1 2 351.447 -0.288 20 30 FBEDLO C#CCOCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCCCOC)C[C@H]21 ZINC001221545056 845601716 /nfs/dbraw/zinc/60/17/16/845601716.db2.gz UQTUQVKOBGPKCM-HZPDHXFCSA-N 1 2 351.447 -0.288 20 30 FBEDLO C#CCOCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(=O)NCC)C[C@H]21 ZINC001221545141 845600996 /nfs/dbraw/zinc/60/09/96/845600996.db2.gz YDDPKNWQOCROSE-ZIAGYGMSSA-N 1 2 350.419 -0.595 20 30 FBEDLO C#CCOCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(=O)NCC)C[C@H]21 ZINC001221545141 845600992 /nfs/dbraw/zinc/60/09/92/845600992.db2.gz YDDPKNWQOCROSE-ZIAGYGMSSA-N 1 2 350.419 -0.595 20 30 FBEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001221560041 845605215 /nfs/dbraw/zinc/60/52/15/845605215.db2.gz XQTMMBNYFHVNNT-SYQHCUMBSA-N 1 2 350.419 -0.305 20 30 FBEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001221560041 845605212 /nfs/dbraw/zinc/60/52/12/845605212.db2.gz XQTMMBNYFHVNNT-SYQHCUMBSA-N 1 2 350.419 -0.305 20 30 FBEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(=O)C(C)C)[C@@H]2C1 ZINC001221589292 845611522 /nfs/dbraw/zinc/61/15/22/845611522.db2.gz HJPJDWFRXBUBMA-HUUCEWRRSA-N 1 2 350.463 -0.064 20 30 FBEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(=O)C(C)C)[C@@H]2C1 ZINC001221589292 845611518 /nfs/dbraw/zinc/61/15/18/845611518.db2.gz HJPJDWFRXBUBMA-HUUCEWRRSA-N 1 2 350.463 -0.064 20 30 FBEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3coc(S(N)(=O)=O)c3)[C@@H]2C1 ZINC001221652531 845627843 /nfs/dbraw/zinc/62/78/43/845627843.db2.gz WGPGBPKNZOVBBG-TZMCWYRMSA-N 1 2 367.427 -0.277 20 30 FBEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3coc(S(N)(=O)=O)c3)[C@@H]2C1 ZINC001221652531 845627840 /nfs/dbraw/zinc/62/78/40/845627840.db2.gz WGPGBPKNZOVBBG-TZMCWYRMSA-N 1 2 367.427 -0.277 20 30 FBEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3CC)[C@@H]2C1 ZINC001221662236 845628961 /nfs/dbraw/zinc/62/89/61/845628961.db2.gz CUNJWRNYKBYPCM-BZUAXINKSA-N 1 2 350.463 -0.458 20 30 FBEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3CC)[C@@H]2C1 ZINC001221662236 845628954 /nfs/dbraw/zinc/62/89/54/845628954.db2.gz CUNJWRNYKBYPCM-BZUAXINKSA-N 1 2 350.463 -0.458 20 30 FBEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3CC)[C@@H]2C1 ZINC001221662237 845629061 /nfs/dbraw/zinc/62/90/61/845629061.db2.gz CUNJWRNYKBYPCM-OAGGEKHMSA-N 1 2 350.463 -0.458 20 30 FBEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3CC)[C@@H]2C1 ZINC001221662237 845629056 /nfs/dbraw/zinc/62/90/56/845629056.db2.gz CUNJWRNYKBYPCM-OAGGEKHMSA-N 1 2 350.463 -0.458 20 30 FBEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC(F)F)[C@@H]2C1 ZINC001221666235 845631213 /nfs/dbraw/zinc/63/12/13/845631213.db2.gz FZNGKXQZZXDWCZ-IJLUTSLNSA-N 1 2 358.389 -0.409 20 30 FBEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC(F)F)[C@@H]2C1 ZINC001221666235 845631210 /nfs/dbraw/zinc/63/12/10/845631210.db2.gz FZNGKXQZZXDWCZ-IJLUTSLNSA-N 1 2 358.389 -0.409 20 30 FBEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC(F)F)[C@@H]2C1 ZINC001221666238 845631268 /nfs/dbraw/zinc/63/12/68/845631268.db2.gz FZNGKXQZZXDWCZ-QJPTWQEYSA-N 1 2 358.389 -0.409 20 30 FBEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC(F)F)[C@@H]2C1 ZINC001221666238 845631264 /nfs/dbraw/zinc/63/12/64/845631264.db2.gz FZNGKXQZZXDWCZ-QJPTWQEYSA-N 1 2 358.389 -0.409 20 30 FBEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC(F)F)[C@@H]2C1 ZINC001221666806 845632568 /nfs/dbraw/zinc/63/25/68/845632568.db2.gz UEQGNDCFCBKYTO-IJLUTSLNSA-N 1 2 356.373 -0.962 20 30 FBEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC(F)F)[C@@H]2C1 ZINC001221666806 845632564 /nfs/dbraw/zinc/63/25/64/845632564.db2.gz UEQGNDCFCBKYTO-IJLUTSLNSA-N 1 2 356.373 -0.962 20 30 FBEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC(F)F)[C@@H]2C1 ZINC001221666807 845632371 /nfs/dbraw/zinc/63/23/71/845632371.db2.gz UEQGNDCFCBKYTO-QJPTWQEYSA-N 1 2 356.373 -0.962 20 30 FBEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC(F)F)[C@@H]2C1 ZINC001221666807 845632367 /nfs/dbraw/zinc/63/23/67/845632367.db2.gz UEQGNDCFCBKYTO-QJPTWQEYSA-N 1 2 356.373 -0.962 20 30 FBEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1 ZINC001221669222 845631784 /nfs/dbraw/zinc/63/17/84/845631784.db2.gz FDIYLWSBIBBWSK-CHWSQXEVSA-N 1 2 367.427 -0.277 20 30 FBEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(S(N)(=O)=O)o3)[C@@H]2C1 ZINC001221669222 845631775 /nfs/dbraw/zinc/63/17/75/845631775.db2.gz FDIYLWSBIBBWSK-CHWSQXEVSA-N 1 2 367.427 -0.277 20 30 FBEDLO CCC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC#CCOC)C[C@H]21)S(N)(=O)=O ZINC001221712652 845638017 /nfs/dbraw/zinc/63/80/17/845638017.db2.gz KNIDLKHNLJUCLK-KFWWJZLASA-N 1 2 357.476 -0.374 20 30 FBEDLO CCC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC#CCOC)C[C@H]21)S(N)(=O)=O ZINC001221712652 845638015 /nfs/dbraw/zinc/63/80/15/845638015.db2.gz KNIDLKHNLJUCLK-KFWWJZLASA-N 1 2 357.476 -0.374 20 30 FBEDLO CCC[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC#CCOC)C[C@H]21)S(N)(=O)=O ZINC001221712653 845637679 /nfs/dbraw/zinc/63/76/79/845637679.db2.gz KNIDLKHNLJUCLK-RBSFLKMASA-N 1 2 357.476 -0.374 20 30 FBEDLO CCC[C@H](C(=O)N1C[C@H]2CC[N@H+](CC#CCOC)C[C@H]21)S(N)(=O)=O ZINC001221712653 845637673 /nfs/dbraw/zinc/63/76/73/845637673.db2.gz KNIDLKHNLJUCLK-RBSFLKMASA-N 1 2 357.476 -0.374 20 30 FBEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(COC)CCOC3)[C@@H]2C1 ZINC001221716607 845640613 /nfs/dbraw/zinc/64/06/13/845640613.db2.gz FPLBDXUWNQTZQL-IIDMSEBBSA-N 1 2 351.447 -0.126 20 30 FBEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(COC)CCOC3)[C@@H]2C1 ZINC001221716607 845640607 /nfs/dbraw/zinc/64/06/07/845640607.db2.gz FPLBDXUWNQTZQL-IIDMSEBBSA-N 1 2 351.447 -0.126 20 30 FBEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(COC)CCOC3)[C@@H]2C1 ZINC001221716608 845640867 /nfs/dbraw/zinc/64/08/67/845640867.db2.gz FPLBDXUWNQTZQL-RKVPGOIHSA-N 1 2 351.447 -0.126 20 30 FBEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(COC)CCOC3)[C@@H]2C1 ZINC001221716608 845640862 /nfs/dbraw/zinc/64/08/62/845640862.db2.gz FPLBDXUWNQTZQL-RKVPGOIHSA-N 1 2 351.447 -0.126 20 30 FBEDLO COC[C@]1(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NCC#N)C[C@H]32)CCOC1 ZINC001221717033 845640191 /nfs/dbraw/zinc/64/01/91/845640191.db2.gz VVPCSZHWXSVPOU-CKEIUWERSA-N 1 2 350.419 -0.788 20 30 FBEDLO COC[C@]1(C(=O)N2C[C@H]3CC[N@H+](CC(=O)NCC#N)C[C@H]32)CCOC1 ZINC001221717033 845640189 /nfs/dbraw/zinc/64/01/89/845640189.db2.gz VVPCSZHWXSVPOU-CKEIUWERSA-N 1 2 350.419 -0.788 20 30 FBEDLO COC[C@@]1(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NCC#N)C[C@H]32)CCOC1 ZINC001221717034 845640208 /nfs/dbraw/zinc/64/02/08/845640208.db2.gz VVPCSZHWXSVPOU-CPUCHLNUSA-N 1 2 350.419 -0.788 20 30 FBEDLO COC[C@@]1(C(=O)N2C[C@H]3CC[N@H+](CC(=O)NCC#N)C[C@H]32)CCOC1 ZINC001221717034 845640206 /nfs/dbraw/zinc/64/02/06/845640206.db2.gz VVPCSZHWXSVPOU-CPUCHLNUSA-N 1 2 350.419 -0.788 20 30 FBEDLO C=C[C@](C)(CCOC)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001221718722 845640223 /nfs/dbraw/zinc/64/02/23/845640223.db2.gz ZYWBMBHWWYJXPF-PBFPGSCMSA-N 1 2 352.435 -0.057 20 30 FBEDLO C=C[C@](C)(CCOC)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001221718722 845640220 /nfs/dbraw/zinc/64/02/20/845640220.db2.gz ZYWBMBHWWYJXPF-PBFPGSCMSA-N 1 2 352.435 -0.057 20 30 FBEDLO C=C[C@@](C)(CCOC)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001221718723 845642058 /nfs/dbraw/zinc/64/20/58/845642058.db2.gz ZYWBMBHWWYJXPF-XNJGSVPQSA-N 1 2 352.435 -0.057 20 30 FBEDLO C=C[C@@](C)(CCOC)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001221718723 845642052 /nfs/dbraw/zinc/64/20/52/845642052.db2.gz ZYWBMBHWWYJXPF-XNJGSVPQSA-N 1 2 352.435 -0.057 20 30 FBEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[N@H+](CCNS(C)(=O)=O)C[C@H]32)c1 ZINC001221804371 845653961 /nfs/dbraw/zinc/65/39/61/845653961.db2.gz IAFBDQHODIVFOB-GDBMZVCRSA-N 1 2 362.455 -0.242 20 30 FBEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[N@@H+](CCNS(C)(=O)=O)C[C@H]32)c1 ZINC001221804371 845653956 /nfs/dbraw/zinc/65/39/56/845653956.db2.gz IAFBDQHODIVFOB-GDBMZVCRSA-N 1 2 362.455 -0.242 20 30 FBEDLO Cn1cc(CC(=O)N2C[C@H]3CC[N@@H+](CC(=O)NCC#N)C[C@H]32)c(Cl)n1 ZINC001221813357 845655258 /nfs/dbraw/zinc/65/52/58/845655258.db2.gz HDDOKSWGFHUXRY-DGCLKSJQSA-N 1 2 364.837 -0.212 20 30 FBEDLO Cn1cc(CC(=O)N2C[C@H]3CC[N@H+](CC(=O)NCC#N)C[C@H]32)c(Cl)n1 ZINC001221813357 845655256 /nfs/dbraw/zinc/65/52/56/845655256.db2.gz HDDOKSWGFHUXRY-DGCLKSJQSA-N 1 2 364.837 -0.212 20 30 FBEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cn(C)nc3Cl)[C@@H]2C1 ZINC001221813424 845655058 /nfs/dbraw/zinc/65/50/58/845655058.db2.gz JGZUSXBUYLPNFB-TZMCWYRMSA-N 1 2 363.849 -0.102 20 30 FBEDLO C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cn(C)nc3Cl)[C@@H]2C1 ZINC001221813424 845655052 /nfs/dbraw/zinc/65/50/52/845655052.db2.gz JGZUSXBUYLPNFB-TZMCWYRMSA-N 1 2 363.849 -0.102 20 30 FBEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001221819746 845657120 /nfs/dbraw/zinc/65/71/20/845657120.db2.gz HDWFRQGSALNQMA-SYQHCUMBSA-N 1 2 350.419 -0.434 20 30 FBEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001221819746 845657116 /nfs/dbraw/zinc/65/71/16/845657116.db2.gz HDWFRQGSALNQMA-SYQHCUMBSA-N 1 2 350.419 -0.434 20 30 FBEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc(Cl)cn3)[C@@H]2C1 ZINC001221836697 845661641 /nfs/dbraw/zinc/66/16/41/845661641.db2.gz JZNJGZZDRFDIOL-DGCLKSJQSA-N 1 2 350.810 -0.291 20 30 FBEDLO N#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc(Cl)cn3)[C@@H]2C1 ZINC001221836697 845661636 /nfs/dbraw/zinc/66/16/36/845661636.db2.gz JZNJGZZDRFDIOL-DGCLKSJQSA-N 1 2 350.810 -0.291 20 30 FBEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CNS(=O)(=O)N(C)C)[C@@H]2C1 ZINC001221842061 845662879 /nfs/dbraw/zinc/66/28/79/845662879.db2.gz UQNHPHIQQMHQJF-VXGBXAGGSA-N 1 2 350.872 -0.332 20 30 FBEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CNS(=O)(=O)N(C)C)[C@@H]2C1 ZINC001221842061 845662873 /nfs/dbraw/zinc/66/28/73/845662873.db2.gz UQNHPHIQQMHQJF-VXGBXAGGSA-N 1 2 350.872 -0.332 20 30 FBEDLO N#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)COC3CCOCC3)[C@@H]2C1 ZINC001221843154 845662800 /nfs/dbraw/zinc/66/28/00/845662800.db2.gz SUUODWSTFUAUNN-UKRRQHHQSA-N 1 2 350.419 -0.646 20 30 FBEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)COC3CCOCC3)[C@@H]2C1 ZINC001221843154 845662794 /nfs/dbraw/zinc/66/27/94/845662794.db2.gz SUUODWSTFUAUNN-UKRRQHHQSA-N 1 2 350.419 -0.646 20 30 FBEDLO CCN(CC)S(=O)(=O)CC(=O)N1C[C@H]2CC[N@@H+](CC#CCOC)C[C@H]21 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