smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)C[NH+]1CCOCC1 ZINC000358571219 147158544 /nfs/dbraw/zinc/15/85/44/147158544.db2.gz OVLYQPFYNGSDFG-ZIAGYGMSSA-N 2 2 305.397 2.316 10 30 DEEELP N#Cc1ccc2ncc(C[NH2+]CCCNc3cccc[nH+]3)n2c1 ZINC000177589390 402418592 /nfs/dbraw/zinc/41/85/92/402418592.db2.gz YQMLARKFTWJYAO-UHFFFAOYSA-N 2 2 306.373 2.193 10 30 DEEELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000081096315 267378959 /nfs/dbraw/zinc/37/89/59/267378959.db2.gz GVNPVVKNSYWIOP-PBHICJAKSA-N 2 2 314.433 2.159 10 30 DEEELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000081096315 267378964 /nfs/dbraw/zinc/37/89/64/267378964.db2.gz GVNPVVKNSYWIOP-PBHICJAKSA-N 2 2 314.433 2.159 10 30 DEEELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000081096315 267378967 /nfs/dbraw/zinc/37/89/67/267378967.db2.gz GVNPVVKNSYWIOP-PBHICJAKSA-N 2 2 314.433 2.159 10 30 DEEELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000081096315 267378972 /nfs/dbraw/zinc/37/89/72/267378972.db2.gz GVNPVVKNSYWIOP-PBHICJAKSA-N 2 2 314.433 2.159 10 30 DEEELP C[N@H+](CCNC(=[NH2+])NC1CCCCC1)Cc1ccc(F)cc1 ZINC000304720656 685257983 /nfs/dbraw/zinc/25/79/83/685257983.db2.gz OLNYIMODHGKZHQ-UHFFFAOYSA-N 2 2 306.429 2.495 10 30 DEEELP C[N@@H+](CCNC(=[NH2+])NC1CCCCC1)Cc1ccc(F)cc1 ZINC000304720656 685257986 /nfs/dbraw/zinc/25/79/86/685257986.db2.gz OLNYIMODHGKZHQ-UHFFFAOYSA-N 2 2 306.429 2.495 10 30 DEEELP [NH2+]=C(NCCCCNc1cccc[nH+]1)NCCc1cccs1 ZINC000303972281 685241210 /nfs/dbraw/zinc/24/12/10/685241210.db2.gz FNPNRIQYYHUJRC-UHFFFAOYSA-N 2 2 317.462 2.482 10 30 DEEELP Cc1cnn(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000181914652 186218612 /nfs/dbraw/zinc/21/86/12/186218612.db2.gz IAEKTWOGZCQPIG-UHFFFAOYSA-N 2 2 323.444 2.317 10 30 DEEELP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000151278492 402027658 /nfs/dbraw/zinc/02/76/58/402027658.db2.gz UJWWFEIZLGKCLA-SJLPKXTDSA-N 2 2 316.445 2.196 10 30 DEEELP C=CCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246904004 402549310 /nfs/dbraw/zinc/54/93/10/402549310.db2.gz RNTHIEPDCYZARB-DLBZAZTESA-N 2 2 322.497 2.151 10 30 DEEELP C=CCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246904004 402549313 /nfs/dbraw/zinc/54/93/13/402549313.db2.gz RNTHIEPDCYZARB-DLBZAZTESA-N 2 2 322.497 2.151 10 30 DEEELP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)c1ccsc1 ZINC000161500818 625100650 /nfs/dbraw/zinc/10/06/50/625100650.db2.gz OLNNQMHIMCULGA-GJZGRUSLSA-N 2 2 324.494 2.214 10 30 DEEELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000245419080 402458501 /nfs/dbraw/zinc/45/85/01/402458501.db2.gz GVNPVVKNSYWIOP-YOEHRIQHSA-N 2 2 314.433 2.159 10 30 DEEELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000245419080 402458504 /nfs/dbraw/zinc/45/85/04/402458504.db2.gz GVNPVVKNSYWIOP-YOEHRIQHSA-N 2 2 314.433 2.159 10 30 DEEELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000245419080 402458506 /nfs/dbraw/zinc/45/85/06/402458506.db2.gz GVNPVVKNSYWIOP-YOEHRIQHSA-N 2 2 314.433 2.159 10 30 DEEELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000245419080 402458508 /nfs/dbraw/zinc/45/85/08/402458508.db2.gz GVNPVVKNSYWIOP-YOEHRIQHSA-N 2 2 314.433 2.159 10 30 DEEELP COc1ccc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1C#N ZINC000174263884 402734406 /nfs/dbraw/zinc/73/44/06/402734406.db2.gz DBYWATWOZDHGEC-UHFFFAOYSA-N 2 2 319.368 2.437 10 30 DEEELP C=CCN1CC[C@@H]([N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1=O ZINC000343624562 403667557 /nfs/dbraw/zinc/66/75/57/403667557.db2.gz QDMIANABQLLYBR-OAHLLOKOSA-N 2 2 316.430 2.153 10 30 DEEELP C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1=O ZINC000343624562 403667561 /nfs/dbraw/zinc/66/75/61/403667561.db2.gz QDMIANABQLLYBR-OAHLLOKOSA-N 2 2 316.430 2.153 10 30 DEEELP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C(=O)OC)c(C)[nH]2)CC1 ZINC000602541761 360423789 /nfs/dbraw/zinc/42/37/89/360423789.db2.gz ZMBOZSUFQFEETK-UHFFFAOYSA-N 2 2 305.422 2.240 10 30 DEEELP N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000602887010 360610451 /nfs/dbraw/zinc/61/04/51/360610451.db2.gz TZKDIMLJQNCNEW-IPMKNSEASA-N 2 2 313.445 2.295 10 30 DEEELP N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000602887010 360610453 /nfs/dbraw/zinc/61/04/53/360610453.db2.gz TZKDIMLJQNCNEW-IPMKNSEASA-N 2 2 313.445 2.295 10 30 DEEELP C=C(C)C[NH+]1CCC([NH2+]Cc2c3c(nn2C)CCCC3)CC1 ZINC000631064653 367996379 /nfs/dbraw/zinc/99/63/79/367996379.db2.gz MJNWPBMMHDFYBA-UHFFFAOYSA-N 2 2 302.466 2.429 10 30 DEEELP C=CC[NH+]1CCC([NH2+]Cc2cnnn2Cc2ccccc2)CC1 ZINC000291966029 404602725 /nfs/dbraw/zinc/60/27/25/404602725.db2.gz PXIYTEYXPVTEKN-UHFFFAOYSA-N 2 2 311.433 2.066 10 30 DEEELP C=C(C)C[C@@H](C)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194942 406050718 /nfs/dbraw/zinc/05/07/18/406050718.db2.gz ZBUXCNYLLMTYOI-CQSZACIVSA-N 2 2 302.422 2.374 10 30 DEEELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc4ccc(C#N)cn34)CC[C@@H]21 ZINC000092043271 193145328 /nfs/dbraw/zinc/14/53/28/193145328.db2.gz FOPOLLCFXDBKBA-WBVHZDCISA-N 2 2 309.417 2.122 10 30 DEEELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc4ccc(C#N)cn34)CC[C@@H]21 ZINC000092043271 193145330 /nfs/dbraw/zinc/14/53/30/193145330.db2.gz FOPOLLCFXDBKBA-WBVHZDCISA-N 2 2 309.417 2.122 10 30 DEEELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc4ccc(C#N)cn34)CC[C@@H]21 ZINC000092043271 193145331 /nfs/dbraw/zinc/14/53/31/193145331.db2.gz FOPOLLCFXDBKBA-WBVHZDCISA-N 2 2 309.417 2.122 10 30 DEEELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc4ccc(C#N)cn34)CC[C@@H]21 ZINC000092043271 193145333 /nfs/dbraw/zinc/14/53/33/193145333.db2.gz FOPOLLCFXDBKBA-WBVHZDCISA-N 2 2 309.417 2.122 10 30 DEEELP C=CCCN(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000342536688 404638236 /nfs/dbraw/zinc/63/82/36/404638236.db2.gz MMHSCCBLESVIQB-UHFFFAOYSA-N 2 2 322.497 2.154 10 30 DEEELP C=CCOc1cccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1 ZINC000449394594 405543696 /nfs/dbraw/zinc/54/36/96/405543696.db2.gz OBCURGUUVXGIOT-QGZVFWFLSA-N 2 2 304.434 2.188 10 30 DEEELP C=CCOc1cccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000449394594 405543706 /nfs/dbraw/zinc/54/37/06/405543706.db2.gz OBCURGUUVXGIOT-QGZVFWFLSA-N 2 2 304.434 2.188 10 30 DEEELP CN(C)C(=[NH+]CC[N@@H+]1CCc2c(Cl)cccc2C1)N(C)C ZINC000189387222 225050387 /nfs/dbraw/zinc/05/03/87/225050387.db2.gz CMFOCILGPNKZCY-UHFFFAOYSA-N 2 2 308.857 2.177 10 30 DEEELP CN(C)C(=[NH+]CC[N@H+]1CCc2c(Cl)cccc2C1)N(C)C ZINC000189387222 225050390 /nfs/dbraw/zinc/05/03/90/225050390.db2.gz CMFOCILGPNKZCY-UHFFFAOYSA-N 2 2 308.857 2.177 10 30 DEEELP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000092665092 185332501 /nfs/dbraw/zinc/33/25/01/185332501.db2.gz FNOGBGXITDXGRU-IYBDPMFKSA-N 2 2 316.449 2.142 10 30 DEEELP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000092665092 185332502 /nfs/dbraw/zinc/33/25/02/185332502.db2.gz FNOGBGXITDXGRU-IYBDPMFKSA-N 2 2 316.449 2.142 10 30 DEEELP N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000602887011 360609775 /nfs/dbraw/zinc/60/97/75/360609775.db2.gz TZKDIMLJQNCNEW-OTWHNJEPSA-N 2 2 313.445 2.295 10 30 DEEELP N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000602887011 360609779 /nfs/dbraw/zinc/60/97/79/360609779.db2.gz TZKDIMLJQNCNEW-OTWHNJEPSA-N 2 2 313.445 2.295 10 30 DEEELP CC[NH+]1CCC([N@H+](C)Cc2cc(C#CCCO)cs2)CC1 ZINC000043698759 183382059 /nfs/dbraw/zinc/38/20/59/183382059.db2.gz UCEZTAIMRFVFRQ-UHFFFAOYSA-N 2 2 306.475 2.398 10 30 DEEELP CC[NH+]1CCC([N@@H+](C)Cc2cc(C#CCCO)cs2)CC1 ZINC000043698759 183382061 /nfs/dbraw/zinc/38/20/61/183382061.db2.gz UCEZTAIMRFVFRQ-UHFFFAOYSA-N 2 2 306.475 2.398 10 30 DEEELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191097027 145053172 /nfs/dbraw/zinc/05/31/72/145053172.db2.gz QSEWQCCYIXALMP-BEFAXECRSA-N 2 2 323.444 2.292 10 30 DEEELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191097027 145053173 /nfs/dbraw/zinc/05/31/73/145053173.db2.gz QSEWQCCYIXALMP-BEFAXECRSA-N 2 2 323.444 2.292 10 30 DEEELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc4ccc(C#N)cn34)CC[C@H]21 ZINC000245735129 402484086 /nfs/dbraw/zinc/48/40/86/402484086.db2.gz FOPOLLCFXDBKBA-NVXWUHKLSA-N 2 2 309.417 2.122 10 30 DEEELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc4ccc(C#N)cn34)CC[C@H]21 ZINC000245735129 402484090 /nfs/dbraw/zinc/48/40/90/402484090.db2.gz FOPOLLCFXDBKBA-NVXWUHKLSA-N 2 2 309.417 2.122 10 30 DEEELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc4ccc(C#N)cn34)CC[C@H]21 ZINC000245735129 402484094 /nfs/dbraw/zinc/48/40/94/402484094.db2.gz FOPOLLCFXDBKBA-NVXWUHKLSA-N 2 2 309.417 2.122 10 30 DEEELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc4ccc(C#N)cn34)CC[C@H]21 ZINC000245735129 402484098 /nfs/dbraw/zinc/48/40/98/402484098.db2.gz FOPOLLCFXDBKBA-NVXWUHKLSA-N 2 2 309.417 2.122 10 30 DEEELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)o2)[C@@H](C)C1 ZINC000246080919 402507987 /nfs/dbraw/zinc/50/79/87/402507987.db2.gz FSXXQLGUQPJYMN-YOEHRIQHSA-N 2 2 305.422 2.378 10 30 DEEELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)o2)[C@@H](C)C1 ZINC000246080919 402507990 /nfs/dbraw/zinc/50/79/90/402507990.db2.gz FSXXQLGUQPJYMN-YOEHRIQHSA-N 2 2 305.422 2.378 10 30 DEEELP N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3)n2c1 ZINC000367440028 526692169 /nfs/dbraw/zinc/69/21/69/526692169.db2.gz ZBWSDIJQMYMGDE-OAHLLOKOSA-N 2 2 306.373 2.067 10 30 DEEELP N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3)n2c1 ZINC000367440028 526692173 /nfs/dbraw/zinc/69/21/73/526692173.db2.gz ZBWSDIJQMYMGDE-OAHLLOKOSA-N 2 2 306.373 2.067 10 30 DEEELP Cc1cc(N2CCO[C@H](C[N@H+](C)CC3CC3)C2)c(C#N)c(C)[nH+]1 ZINC000328651957 356466366 /nfs/dbraw/zinc/46/63/66/356466366.db2.gz WFEDVSAZBQEPBT-MRXNPFEDSA-N 2 2 314.433 2.117 10 30 DEEELP Cc1cc(N2CCO[C@H](C[N@@H+](C)CC3CC3)C2)c(C#N)c(C)[nH+]1 ZINC000328651957 356466372 /nfs/dbraw/zinc/46/63/72/356466372.db2.gz WFEDVSAZBQEPBT-MRXNPFEDSA-N 2 2 314.433 2.117 10 30 DEEELP CC[NH+]1CCC([N@H+](C)Cc2sccc2C#CCCO)CC1 ZINC000043682064 183380498 /nfs/dbraw/zinc/38/04/98/183380498.db2.gz DJKAOZFCEFCGDT-UHFFFAOYSA-N 2 2 306.475 2.398 10 30 DEEELP CC[NH+]1CCC([N@@H+](C)Cc2sccc2C#CCCO)CC1 ZINC000043682064 183380499 /nfs/dbraw/zinc/38/04/99/183380499.db2.gz DJKAOZFCEFCGDT-UHFFFAOYSA-N 2 2 306.475 2.398 10 30 DEEELP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000063195475 184278011 /nfs/dbraw/zinc/27/80/11/184278011.db2.gz PUSGLKJIDOJHRB-AAEUAGOBSA-N 2 2 306.435 2.150 10 30 DEEELP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000063195475 184278013 /nfs/dbraw/zinc/27/80/13/184278013.db2.gz PUSGLKJIDOJHRB-AAEUAGOBSA-N 2 2 306.435 2.150 10 30 DEEELP C=CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093663857 402018508 /nfs/dbraw/zinc/01/85/08/402018508.db2.gz URINLPWFJIUYHC-SFHVURJKSA-N 2 2 316.445 2.406 10 30 DEEELP C=CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093663857 402018511 /nfs/dbraw/zinc/01/85/11/402018511.db2.gz URINLPWFJIUYHC-SFHVURJKSA-N 2 2 316.445 2.406 10 30 DEEELP N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246057853 402505783 /nfs/dbraw/zinc/50/57/83/402505783.db2.gz QXOADBLEAQMWOT-FUHWJXTLSA-N 2 2 322.412 2.421 10 30 DEEELP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246057853 402505786 /nfs/dbraw/zinc/50/57/86/402505786.db2.gz QXOADBLEAQMWOT-FUHWJXTLSA-N 2 2 322.412 2.421 10 30 DEEELP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282048651 403117235 /nfs/dbraw/zinc/11/72/35/403117235.db2.gz LYYCJGUAEMTIFZ-GJZGRUSLSA-N 2 2 316.449 2.090 10 30 DEEELP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282048651 403117237 /nfs/dbraw/zinc/11/72/37/403117237.db2.gz LYYCJGUAEMTIFZ-GJZGRUSLSA-N 2 2 316.449 2.090 10 30 DEEELP Cc1cc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C#N)c(C)[nH+]1 ZINC000302852651 403734709 /nfs/dbraw/zinc/73/47/09/403734709.db2.gz JKGSYSSXZUMVCI-OKILXGFUSA-N 2 2 302.422 2.116 10 30 DEEELP Cc1cc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C#N)c(C)[nH+]1 ZINC000302852651 403734711 /nfs/dbraw/zinc/73/47/11/403734711.db2.gz JKGSYSSXZUMVCI-OKILXGFUSA-N 2 2 302.422 2.116 10 30 DEEELP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(C)C2(C#N)CCCCC2)CC[N@@H+]1C ZINC000123965515 291060272 /nfs/dbraw/zinc/06/02/72/291060272.db2.gz MQYVFPZJHKPTSB-HOTGVXAUSA-N 2 2 320.481 2.086 10 30 DEEELP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(C)C2(C#N)CCCCC2)CC[N@H+]1C ZINC000123965515 291060276 /nfs/dbraw/zinc/06/02/76/291060276.db2.gz MQYVFPZJHKPTSB-HOTGVXAUSA-N 2 2 320.481 2.086 10 30 DEEELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)CC[NH+]1C ZINC000123965515 291060279 /nfs/dbraw/zinc/06/02/79/291060279.db2.gz MQYVFPZJHKPTSB-HOTGVXAUSA-N 2 2 320.481 2.086 10 30 DEEELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)CC[NH+]1C ZINC000123965515 291060283 /nfs/dbraw/zinc/06/02/83/291060283.db2.gz MQYVFPZJHKPTSB-HOTGVXAUSA-N 2 2 320.481 2.086 10 30 DEEELP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(CCO)CC3)CC2)cc1 ZINC000188064050 145006494 /nfs/dbraw/zinc/00/64/94/145006494.db2.gz RTZUNNZYLLSLJB-UHFFFAOYSA-N 2 2 313.445 2.275 10 30 DEEELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191097040 145052980 /nfs/dbraw/zinc/05/29/80/145052980.db2.gz QSEWQCCYIXALMP-KXBFYZLASA-N 2 2 323.444 2.292 10 30 DEEELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191097040 145052982 /nfs/dbraw/zinc/05/29/82/145052982.db2.gz QSEWQCCYIXALMP-KXBFYZLASA-N 2 2 323.444 2.292 10 30 DEEELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc3ccc(C#N)cn23)[C@@H](C)C1 ZINC000245726208 402483450 /nfs/dbraw/zinc/48/34/50/402483450.db2.gz IUFOOFLYCMMNOM-WMLDXEAASA-N 2 2 311.433 2.368 10 30 DEEELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc3ccc(C#N)cn23)[C@@H](C)C1 ZINC000245726208 402483453 /nfs/dbraw/zinc/48/34/53/402483453.db2.gz IUFOOFLYCMMNOM-WMLDXEAASA-N 2 2 311.433 2.368 10 30 DEEELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc3ccc(C#N)cn23)[C@@H](C)C1 ZINC000245726208 402483459 /nfs/dbraw/zinc/48/34/59/402483459.db2.gz IUFOOFLYCMMNOM-WMLDXEAASA-N 2 2 311.433 2.368 10 30 DEEELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc3ccc(C#N)cn23)[C@@H](C)C1 ZINC000245726208 402483462 /nfs/dbraw/zinc/48/34/62/402483462.db2.gz IUFOOFLYCMMNOM-WMLDXEAASA-N 2 2 311.433 2.368 10 30 DEEELP CC#CCCCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000185690917 337250192 /nfs/dbraw/zinc/25/01/92/337250192.db2.gz UHFOKZNNKXGVTG-UHFFFAOYSA-N 2 2 319.493 2.247 10 30 DEEELP CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC000886082472 691999518 /nfs/dbraw/zinc/99/95/18/691999518.db2.gz DIPHBNBKEWOPSF-JQHSSLGASA-N 2 2 317.408 2.429 10 30 DEEELP CO[C@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC000886082472 691999521 /nfs/dbraw/zinc/99/95/21/691999521.db2.gz DIPHBNBKEWOPSF-JQHSSLGASA-N 2 2 317.408 2.429 10 30 DEEELP Cc1cc(N2CC[C@H]([N@H+](C)Cc3ncccn3)C2)c(C#N)c(C)[nH+]1 ZINC000328623610 356463266 /nfs/dbraw/zinc/46/32/66/356463266.db2.gz BYQYBSCDRBNAAU-HNNXBMFYSA-N 2 2 322.416 2.071 10 30 DEEELP Cc1cc(N2CC[C@H]([N@@H+](C)Cc3ncccn3)C2)c(C#N)c(C)[nH+]1 ZINC000328623610 356463269 /nfs/dbraw/zinc/46/32/69/356463269.db2.gz BYQYBSCDRBNAAU-HNNXBMFYSA-N 2 2 322.416 2.071 10 30 DEEELP C=CC(C)(C)CCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000623638352 365114189 /nfs/dbraw/zinc/11/41/89/365114189.db2.gz BDQQAGSVPOAHMX-HNNXBMFYSA-N 2 2 322.497 2.056 10 30 DEEELP C=CC(C)(C)CCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000623638352 365114191 /nfs/dbraw/zinc/11/41/91/365114191.db2.gz BDQQAGSVPOAHMX-HNNXBMFYSA-N 2 2 322.497 2.056 10 30 DEEELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(OCC#N)cc1 ZINC000181559132 402649777 /nfs/dbraw/zinc/64/97/77/402649777.db2.gz HDDBARRYIHFQBT-DOTOQJQBSA-N 2 2 317.433 2.086 10 30 DEEELP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000424295208 405061297 /nfs/dbraw/zinc/06/12/97/405061297.db2.gz MKNXSRHQHJWBLO-NEPXVJNWSA-N 2 2 315.461 2.473 10 30 DEEELP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000424295208 405061301 /nfs/dbraw/zinc/06/13/01/405061301.db2.gz MKNXSRHQHJWBLO-NEPXVJNWSA-N 2 2 315.461 2.473 10 30 DEEELP CC[NH+](CC)[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)c1ccsc1 ZINC000161501153 684328882 /nfs/dbraw/zinc/32/88/82/684328882.db2.gz OLNNQMHIMCULGA-HUUCEWRRSA-N 2 2 324.494 2.214 10 30 DEEELP C=CCNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000578866214 356884182 /nfs/dbraw/zinc/88/41/82/356884182.db2.gz LRIQZHFPTCSXEH-QGZVFWFLSA-N 2 2 313.445 2.075 10 30 DEEELP C=CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000578866214 356884187 /nfs/dbraw/zinc/88/41/87/356884187.db2.gz LRIQZHFPTCSXEH-QGZVFWFLSA-N 2 2 313.445 2.075 10 30 DEEELP C[N@H+](CC(=O)Nc1sccc1C#N)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089132691 192732225 /nfs/dbraw/zinc/73/22/25/192732225.db2.gz QMBVISATJNTGHC-YPMHNXCESA-N 2 2 306.435 2.008 10 30 DEEELP C[N@@H+](CC(=O)Nc1sccc1C#N)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089132691 192732228 /nfs/dbraw/zinc/73/22/28/192732228.db2.gz QMBVISATJNTGHC-YPMHNXCESA-N 2 2 306.435 2.008 10 30 DEEELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc3ccc(C#N)cn23)[C@H](C)C1 ZINC000093638964 193278302 /nfs/dbraw/zinc/27/83/02/193278302.db2.gz IUFOOFLYCMMNOM-PBHICJAKSA-N 2 2 311.433 2.368 10 30 DEEELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc3ccc(C#N)cn23)[C@H](C)C1 ZINC000093638964 193278304 /nfs/dbraw/zinc/27/83/04/193278304.db2.gz IUFOOFLYCMMNOM-PBHICJAKSA-N 2 2 311.433 2.368 10 30 DEEELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc3ccc(C#N)cn23)[C@H](C)C1 ZINC000093638964 193278306 /nfs/dbraw/zinc/27/83/06/193278306.db2.gz IUFOOFLYCMMNOM-PBHICJAKSA-N 2 2 311.433 2.368 10 30 DEEELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc3ccc(C#N)cn23)[C@H](C)C1 ZINC000093638964 193278307 /nfs/dbraw/zinc/27/83/07/193278307.db2.gz IUFOOFLYCMMNOM-PBHICJAKSA-N 2 2 311.433 2.368 10 30 DEEELP CC#CCC[NH2+][C@@H](C[NH3+])c1ccc(OC)c(Br)c1 ZINC000158417036 197270219 /nfs/dbraw/zinc/27/02/19/197270219.db2.gz GMGWSXQHXKDFPR-ZDUSSCGKSA-N 2 2 311.223 2.461 10 30 DEEELP C=CCCC[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000076737143 401799681 /nfs/dbraw/zinc/79/96/81/401799681.db2.gz MMGCOAIXUPCNRQ-UHFFFAOYSA-N 2 2 316.449 2.018 10 30 DEEELP C=CCCC[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000076737143 401799684 /nfs/dbraw/zinc/79/96/84/401799684.db2.gz MMGCOAIXUPCNRQ-UHFFFAOYSA-N 2 2 316.449 2.018 10 30 DEEELP C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364056440 404302036 /nfs/dbraw/zinc/30/20/36/404302036.db2.gz NFGTYKIEJKPFOS-WBVHZDCISA-N 2 2 307.482 2.216 10 30 DEEELP C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364056440 404302046 /nfs/dbraw/zinc/30/20/46/404302046.db2.gz NFGTYKIEJKPFOS-WBVHZDCISA-N 2 2 307.482 2.216 10 30 DEEELP C=C(C)CCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000455307063 405396175 /nfs/dbraw/zinc/39/61/75/405396175.db2.gz HVIXFYKABOTHCV-UHFFFAOYSA-N 2 2 322.497 2.202 10 30 DEEELP C#CCCOc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000113327011 336400634 /nfs/dbraw/zinc/40/06/34/336400634.db2.gz PYCTUIKNEXENLX-GOSISDBHSA-N 2 2 316.445 2.025 10 30 DEEELP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515663 527612407 /nfs/dbraw/zinc/61/24/07/527612407.db2.gz FGQPFLVMGYZLCB-INIZCTEOSA-N 2 2 314.433 2.016 10 30 DEEELP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515663 527612415 /nfs/dbraw/zinc/61/24/15/527612415.db2.gz FGQPFLVMGYZLCB-INIZCTEOSA-N 2 2 314.433 2.016 10 30 DEEELP C[N@H+](CC#Cc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000192003692 529823418 /nfs/dbraw/zinc/82/34/18/529823418.db2.gz XTKMIISCRYVULT-UHFFFAOYSA-N 2 2 322.456 2.331 10 30 DEEELP C[N@@H+](CC#Cc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000192003692 529823419 /nfs/dbraw/zinc/82/34/19/529823419.db2.gz XTKMIISCRYVULT-UHFFFAOYSA-N 2 2 322.456 2.331 10 30 DEEELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000171922313 198008469 /nfs/dbraw/zinc/00/84/69/198008469.db2.gz XYHVRFZNYIKGHK-IBGZPJMESA-N 2 2 312.461 2.160 10 30 DEEELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000171922313 198008471 /nfs/dbraw/zinc/00/84/71/198008471.db2.gz XYHVRFZNYIKGHK-IBGZPJMESA-N 2 2 312.461 2.160 10 30 DEEELP O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000330047370 404537584 /nfs/dbraw/zinc/53/75/84/404537584.db2.gz HQBHQFLVSZAJFX-NFOMZHRRSA-N 2 2 302.422 2.419 10 30 DEEELP C=CCCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000448032989 527220566 /nfs/dbraw/zinc/22/05/66/527220566.db2.gz XXRMKKMOBMFILI-UHFFFAOYSA-N 2 2 322.497 2.202 10 30 DEEELP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)NC1CCC(C)(C)CC1 ZINC000088240334 641292362 /nfs/dbraw/zinc/29/23/62/641292362.db2.gz VGNCISHGXVVQOK-UHFFFAOYSA-N 2 2 320.485 2.120 10 30 DEEELP C=C(C)C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(=O)OC ZINC000602733474 360523961 /nfs/dbraw/zinc/52/39/61/360523961.db2.gz IJZRHYARHYHRNB-OAHLLOKOSA-N 2 2 303.406 2.148 10 30 DEEELP C=CCN(Cc1cccs1)C(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093873959 193322048 /nfs/dbraw/zinc/32/20/48/193322048.db2.gz KUJWFYOJTFGKPP-UHFFFAOYSA-N 2 2 309.479 2.179 10 30 DEEELP C=CCN(Cc1cccs1)C(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000093873959 193322051 /nfs/dbraw/zinc/32/20/51/193322051.db2.gz KUJWFYOJTFGKPP-UHFFFAOYSA-N 2 2 309.479 2.179 10 30 DEEELP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000063195476 184277993 /nfs/dbraw/zinc/27/79/93/184277993.db2.gz PUSGLKJIDOJHRB-YPMHNXCESA-N 2 2 306.435 2.150 10 30 DEEELP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000063195476 184277995 /nfs/dbraw/zinc/27/79/95/184277995.db2.gz PUSGLKJIDOJHRB-YPMHNXCESA-N 2 2 306.435 2.150 10 30 DEEELP CCN1CC[NH+](C[C@H](C)CNc2cc(C)[nH+]c(C)c2C#N)CC1 ZINC000301803032 403681847 /nfs/dbraw/zinc/68/18/47/403681847.db2.gz WTCQSRKRKAMUNU-CQSZACIVSA-N 2 2 315.465 2.256 10 30 DEEELP C[C@@H](CCC#N)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000411572077 403898260 /nfs/dbraw/zinc/89/82/60/403898260.db2.gz QWXSCHUCLIWUSJ-WMZOPIPTSA-N 2 2 301.434 2.247 10 30 DEEELP C[C@@H](CCC#N)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000411572077 403898261 /nfs/dbraw/zinc/89/82/61/403898261.db2.gz QWXSCHUCLIWUSJ-WMZOPIPTSA-N 2 2 301.434 2.247 10 30 DEEELP C[C@@H](CCC#N)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000411572077 403898263 /nfs/dbraw/zinc/89/82/63/403898263.db2.gz QWXSCHUCLIWUSJ-WMZOPIPTSA-N 2 2 301.434 2.247 10 30 DEEELP C[C@@H](CCC#N)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000411572077 403898266 /nfs/dbraw/zinc/89/82/66/403898266.db2.gz QWXSCHUCLIWUSJ-WMZOPIPTSA-N 2 2 301.434 2.247 10 30 DEEELP N#Cc1ccc(N2CC[C@@H]([NH+]3CCC([NH3+])CC3)C2)c(Cl)c1 ZINC000130837988 196114367 /nfs/dbraw/zinc/11/43/67/196114367.db2.gz ARXSHMYKAJWSQL-CQSZACIVSA-N 2 2 304.825 2.213 10 30 DEEELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000192014501 277047068 /nfs/dbraw/zinc/04/70/68/277047068.db2.gz WKRWJXOBAGLLTJ-FQEVSTJZSA-N 2 2 311.473 2.140 10 30 DEEELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000192014501 277047069 /nfs/dbraw/zinc/04/70/69/277047069.db2.gz WKRWJXOBAGLLTJ-FQEVSTJZSA-N 2 2 311.473 2.140 10 30 DEEELP C[NH+]=C(NCCn1cc[nH+]c1)N(C)Cc1ccc(Cl)cc1 ZINC000073761958 636459729 /nfs/dbraw/zinc/45/97/29/636459729.db2.gz OGSVHODABHOWBO-UHFFFAOYSA-N 2 2 305.813 2.244 10 30 DEEELP C[NH+]1CCN([C@H]2CCCC[N@H+](CC#Cc3ccccc3)C2)CC1 ZINC000192118897 402712593 /nfs/dbraw/zinc/71/25/93/402712593.db2.gz ACQOEQYOPFWFPX-FQEVSTJZSA-N 2 2 311.473 2.140 10 30 DEEELP C[NH+]1CCN([C@H]2CCCC[N@@H+](CC#Cc3ccccc3)C2)CC1 ZINC000192118897 402712595 /nfs/dbraw/zinc/71/25/95/402712595.db2.gz ACQOEQYOPFWFPX-FQEVSTJZSA-N 2 2 311.473 2.140 10 30 DEEELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000175728859 402827299 /nfs/dbraw/zinc/82/72/99/402827299.db2.gz APBBGMXEMBJZPA-RHSMWYFYSA-N 2 2 314.433 2.159 10 30 DEEELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000175728859 402827301 /nfs/dbraw/zinc/82/73/01/402827301.db2.gz APBBGMXEMBJZPA-RHSMWYFYSA-N 2 2 314.433 2.159 10 30 DEEELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000175728859 402827302 /nfs/dbraw/zinc/82/73/02/402827302.db2.gz APBBGMXEMBJZPA-RHSMWYFYSA-N 2 2 314.433 2.159 10 30 DEEELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000175728859 402827304 /nfs/dbraw/zinc/82/73/04/402827304.db2.gz APBBGMXEMBJZPA-RHSMWYFYSA-N 2 2 314.433 2.159 10 30 DEEELP COC(=O)c1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1C#N ZINC000535207002 406216086 /nfs/dbraw/zinc/21/60/86/406216086.db2.gz QGOMGOHMLVBCDE-UHFFFAOYSA-N 2 2 324.384 2.448 10 30 DEEELP Cn1nccc1[C@H]1[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)CCC[N@@H+]1C ZINC000329018253 303096350 /nfs/dbraw/zinc/09/63/50/303096350.db2.gz KWZGDQBZPLQPHL-LJIGWXMPSA-N 2 2 301.438 2.085 10 30 DEEELP Cn1nccc1[C@H]1[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)CCC[N@H+]1C ZINC000329018253 303096353 /nfs/dbraw/zinc/09/63/53/303096353.db2.gz KWZGDQBZPLQPHL-LJIGWXMPSA-N 2 2 301.438 2.085 10 30 DEEELP C=C(C)CNC(=[NH2+])NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000189386970 526575186 /nfs/dbraw/zinc/57/51/86/526575186.db2.gz VEWMFXLQOQPMHM-UHFFFAOYSA-N 2 2 306.841 2.179 10 30 DEEELP C=C(C)CNC(=[NH2+])NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000189386970 526575191 /nfs/dbraw/zinc/57/51/91/526575191.db2.gz VEWMFXLQOQPMHM-UHFFFAOYSA-N 2 2 306.841 2.179 10 30 DEEELP C[NH2+]C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000063168863 184275841 /nfs/dbraw/zinc/27/58/41/184275841.db2.gz NITKNPBBWJCFGV-CYBMUJFWSA-N 2 2 306.435 2.022 10 30 DEEELP C[NH2+]C[C@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000063168863 184275843 /nfs/dbraw/zinc/27/58/43/184275843.db2.gz NITKNPBBWJCFGV-CYBMUJFWSA-N 2 2 306.435 2.022 10 30 DEEELP C[N@H+](Cc1ccccc1C#N)C1CC[NH+](CCn2cccn2)CC1 ZINC000171589718 402598485 /nfs/dbraw/zinc/59/84/85/402598485.db2.gz LVKBDFRGMLGJGQ-UHFFFAOYSA-N 2 2 323.444 2.351 10 30 DEEELP C[N@@H+](Cc1ccccc1C#N)C1CC[NH+](CCn2cccn2)CC1 ZINC000171589718 402598487 /nfs/dbraw/zinc/59/84/87/402598487.db2.gz LVKBDFRGMLGJGQ-UHFFFAOYSA-N 2 2 323.444 2.351 10 30 DEEELP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCC(=O)NC1(C)C)C(C)C ZINC000494922995 405783972 /nfs/dbraw/zinc/78/39/72/405783972.db2.gz QAUORKOPCSIMLT-HZPDHXFCSA-N 2 2 307.482 2.332 10 30 DEEELP C=CCCCCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000574171006 406780596 /nfs/dbraw/zinc/78/05/96/406780596.db2.gz KCCOKIHMBXKZKW-UHFFFAOYSA-N 2 2 309.498 2.119 10 30 DEEELP C=CCCCCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000574171006 406780601 /nfs/dbraw/zinc/78/06/01/406780601.db2.gz KCCOKIHMBXKZKW-UHFFFAOYSA-N 2 2 309.498 2.119 10 30 DEEELP C[NH+](C)[C@H](CNC(=[NH2+])NCCc1cccs1)c1ccccc1 ZINC000303693873 685233331 /nfs/dbraw/zinc/23/33/31/685233331.db2.gz CKWCCSOKUVOQID-MRXNPFEDSA-N 2 2 316.474 2.498 10 30 DEEELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000131307465 401847798 /nfs/dbraw/zinc/84/77/98/401847798.db2.gz VUTPIEIBMRLCAO-WMZOPIPTSA-N 2 2 324.428 2.280 10 30 DEEELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000131307465 401847801 /nfs/dbraw/zinc/84/78/01/401847801.db2.gz VUTPIEIBMRLCAO-WMZOPIPTSA-N 2 2 324.428 2.280 10 30 DEEELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(OCC#N)cc1 ZINC000181559143 402649744 /nfs/dbraw/zinc/64/97/44/402649744.db2.gz HDDBARRYIHFQBT-NVXWUHKLSA-N 2 2 317.433 2.086 10 30 DEEELP CNc1cc(N2CCC[C@@H]2C[NH2+]CC(C)(C)CCC#N)nc[nH+]1 ZINC000174360794 333085419 /nfs/dbraw/zinc/08/54/19/333085419.db2.gz IUJDNVMPHWFCCD-CQSZACIVSA-N 2 2 316.453 2.407 10 30 DEEELP C[NH+]=C(NCC[NH+]1CCC1)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261986505 526356440 /nfs/dbraw/zinc/35/64/40/526356440.db2.gz QFCOICLJBKJWDG-HNNXBMFYSA-N 2 2 316.449 2.160 10 30 DEEELP C[NH+]=C(NCC[NH+]1CCC1)N[C@@H](C)c1cc2ccccc2o1 ZINC000261937874 526356632 /nfs/dbraw/zinc/35/66/32/526356632.db2.gz WZSZKOQZYCRHGQ-ZDUSSCGKSA-N 2 2 300.406 2.365 10 30 DEEELP C=CCCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000121077424 195290868 /nfs/dbraw/zinc/29/08/68/195290868.db2.gz IGIMTCDEEPPOOD-UHFFFAOYSA-N 2 2 321.490 2.290 10 30 DEEELP C=CCCC[N@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000121077424 195290870 /nfs/dbraw/zinc/29/08/70/195290870.db2.gz IGIMTCDEEPPOOD-UHFFFAOYSA-N 2 2 321.490 2.290 10 30 DEEELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000178752919 402535052 /nfs/dbraw/zinc/53/50/52/402535052.db2.gz DVEBLXROGXUDOF-QGZVFWFLSA-N 2 2 323.400 2.166 10 30 DEEELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000178752919 402535054 /nfs/dbraw/zinc/53/50/54/402535054.db2.gz DVEBLXROGXUDOF-QGZVFWFLSA-N 2 2 323.400 2.166 10 30 DEEELP Cn1nccc1[C@@H]1[C@@H](C[NH2+]Cc2ccc(C#N)cc2)CCC[N@@H+]1C ZINC000343473091 403604902 /nfs/dbraw/zinc/60/49/02/403604902.db2.gz ZIPNPBITBNLXMN-MJGOQNOKSA-N 2 2 323.444 2.464 10 30 DEEELP Cn1nccc1[C@@H]1[C@@H](C[NH2+]Cc2ccc(C#N)cc2)CCC[N@H+]1C ZINC000343473091 403604908 /nfs/dbraw/zinc/60/49/08/403604908.db2.gz ZIPNPBITBNLXMN-MJGOQNOKSA-N 2 2 323.444 2.464 10 30 DEEELP Cc1cc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(C#N)c(C)[nH+]1 ZINC000301797820 403680959 /nfs/dbraw/zinc/68/09/59/403680959.db2.gz UKHCCTQLTIHANC-OAHLLOKOSA-N 2 2 302.422 2.339 10 30 DEEELP Cc1cc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c(C#N)c(C)[nH+]1 ZINC000301797820 403680964 /nfs/dbraw/zinc/68/09/64/403680964.db2.gz UKHCCTQLTIHANC-OAHLLOKOSA-N 2 2 302.422 2.339 10 30 DEEELP C=CCOc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000449393639 405542381 /nfs/dbraw/zinc/54/23/81/405542381.db2.gz MIRRMEWQIUWBDF-KRWDZBQOSA-N 2 2 304.434 2.188 10 30 DEEELP C=CCOc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000449393639 405542383 /nfs/dbraw/zinc/54/23/83/405542383.db2.gz MIRRMEWQIUWBDF-KRWDZBQOSA-N 2 2 304.434 2.188 10 30 DEEELP C=CCOc1cccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000449394593 405544399 /nfs/dbraw/zinc/54/43/99/405544399.db2.gz OBCURGUUVXGIOT-KRWDZBQOSA-N 2 2 304.434 2.188 10 30 DEEELP C=CCOc1cccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000449394593 405544402 /nfs/dbraw/zinc/54/44/02/405544402.db2.gz OBCURGUUVXGIOT-KRWDZBQOSA-N 2 2 304.434 2.188 10 30 DEEELP N#Cc1ccc(N2CC[C@H]([NH+]3CCC([NH3+])CC3)C2)c(Cl)c1 ZINC000130837802 196114628 /nfs/dbraw/zinc/11/46/28/196114628.db2.gz ARXSHMYKAJWSQL-AWEZNQCLSA-N 2 2 304.825 2.213 10 30 DEEELP Cn1nccc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181480249 199304487 /nfs/dbraw/zinc/30/44/87/199304487.db2.gz GXQWZNHPDYRQOP-UHFFFAOYSA-N 2 2 309.417 2.046 10 30 DEEELP C=CCCC[N@@H+](C)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000076737868 355165519 /nfs/dbraw/zinc/16/55/19/355165519.db2.gz GRPFTFFWIGVSDO-MRXNPFEDSA-N 2 2 316.449 2.017 10 30 DEEELP C=CCCC[N@H+](C)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000076737868 355165523 /nfs/dbraw/zinc/16/55/23/355165523.db2.gz GRPFTFFWIGVSDO-MRXNPFEDSA-N 2 2 316.449 2.017 10 30 DEEELP N#Cc1ccc([C@@H](O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000127364130 401730867 /nfs/dbraw/zinc/73/08/67/401730867.db2.gz QXOADBLEAQMWOT-AEFFLSMTSA-N 2 2 322.412 2.421 10 30 DEEELP N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000127364130 401730869 /nfs/dbraw/zinc/73/08/69/401730869.db2.gz QXOADBLEAQMWOT-AEFFLSMTSA-N 2 2 322.412 2.421 10 30 DEEELP C=CCOc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093664527 402018373 /nfs/dbraw/zinc/01/83/73/402018373.db2.gz NAOKVYQWNYJGCA-QGZVFWFLSA-N 2 2 316.445 2.406 10 30 DEEELP C=CCOc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093664527 402018374 /nfs/dbraw/zinc/01/83/74/402018374.db2.gz NAOKVYQWNYJGCA-QGZVFWFLSA-N 2 2 316.445 2.406 10 30 DEEELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)o2)[C@@H](C)C1 ZINC000246079212 402508133 /nfs/dbraw/zinc/50/81/33/402508133.db2.gz FSXXQLGUQPJYMN-WMLDXEAASA-N 2 2 305.422 2.378 10 30 DEEELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)o2)[C@@H](C)C1 ZINC000246079212 402508136 /nfs/dbraw/zinc/50/81/36/402508136.db2.gz FSXXQLGUQPJYMN-WMLDXEAASA-N 2 2 305.422 2.378 10 30 DEEELP C=CCCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000179231329 402582415 /nfs/dbraw/zinc/58/24/15/402582415.db2.gz RZHFECOJYNNOFL-SJPCQFCGSA-N 2 2 305.466 2.112 10 30 DEEELP C=CCCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000179231329 402582417 /nfs/dbraw/zinc/58/24/17/402582417.db2.gz RZHFECOJYNNOFL-SJPCQFCGSA-N 2 2 305.466 2.112 10 30 DEEELP C[C@H](CCC#N)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000411572075 403899743 /nfs/dbraw/zinc/89/97/43/403899743.db2.gz QWXSCHUCLIWUSJ-SJLPKXTDSA-N 2 2 301.434 2.247 10 30 DEEELP C[C@H](CCC#N)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000411572075 403899746 /nfs/dbraw/zinc/89/97/46/403899746.db2.gz QWXSCHUCLIWUSJ-SJLPKXTDSA-N 2 2 301.434 2.247 10 30 DEEELP C[C@H](CCC#N)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000411572075 403899752 /nfs/dbraw/zinc/89/97/52/403899752.db2.gz QWXSCHUCLIWUSJ-SJLPKXTDSA-N 2 2 301.434 2.247 10 30 DEEELP C[C@H](CCC#N)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000411572075 403899757 /nfs/dbraw/zinc/89/97/57/403899757.db2.gz QWXSCHUCLIWUSJ-SJLPKXTDSA-N 2 2 301.434 2.247 10 30 DEEELP Cn1nccc1[C@H]1[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCC[N@@H+]1C ZINC000329018252 404203992 /nfs/dbraw/zinc/20/39/92/404203992.db2.gz KWZGDQBZPLQPHL-JYYAWHABSA-N 2 2 301.438 2.085 10 30 DEEELP Cn1nccc1[C@H]1[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCC[N@H+]1C ZINC000329018252 404203997 /nfs/dbraw/zinc/20/39/97/404203997.db2.gz KWZGDQBZPLQPHL-JYYAWHABSA-N 2 2 301.438 2.085 10 30 DEEELP CNc1cc(N2CCC[C@H]2C[NH2+]CC(C)(C)CCC#N)nc[nH+]1 ZINC000174360776 333085541 /nfs/dbraw/zinc/08/55/41/333085541.db2.gz IUJDNVMPHWFCCD-AWEZNQCLSA-N 2 2 316.453 2.407 10 30 DEEELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCC[C@@H](C#N)C2)nc[nH+]1 ZINC000248877079 341389124 /nfs/dbraw/zinc/38/91/24/341389124.db2.gz JTDKOAVOIRJFMK-RBSFLKMASA-N 2 2 314.437 2.159 10 30 DEEELP C=C(C)C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(=O)OC ZINC000602733472 360524606 /nfs/dbraw/zinc/52/46/06/360524606.db2.gz IJZRHYARHYHRNB-HNNXBMFYSA-N 2 2 303.406 2.148 10 30 DEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)CCC2 ZINC000328700896 404135498 /nfs/dbraw/zinc/13/54/98/404135498.db2.gz IWSZMYXAYSDJFR-LSDHHAIUSA-N 2 2 319.453 2.009 10 30 DEEELP C=CCCC[N@@H+](C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000076737863 355165599 /nfs/dbraw/zinc/16/55/99/355165599.db2.gz GRPFTFFWIGVSDO-INIZCTEOSA-N 2 2 316.449 2.017 10 30 DEEELP C=CCCC[N@H+](C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000076737863 355165601 /nfs/dbraw/zinc/16/56/01/355165601.db2.gz GRPFTFFWIGVSDO-INIZCTEOSA-N 2 2 316.449 2.017 10 30 DEEELP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)c(-c2ccc(C#N)cc2)n1 ZINC000180128259 199120712 /nfs/dbraw/zinc/12/07/12/199120712.db2.gz NWZYCBSFDJHHTG-KRWDZBQOSA-N 2 2 309.417 2.143 10 30 DEEELP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)c(-c2ccc(C#N)cc2)n1 ZINC000180128259 199120714 /nfs/dbraw/zinc/12/07/14/199120714.db2.gz NWZYCBSFDJHHTG-KRWDZBQOSA-N 2 2 309.417 2.143 10 30 DEEELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c[nH+]c2ccc(C#N)cn12 ZINC000091892491 193123098 /nfs/dbraw/zinc/12/30/98/193123098.db2.gz QOGNSEGWQLBZFB-CVEARBPZSA-N 2 2 309.417 2.265 10 30 DEEELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c[nH+]c2ccc(C#N)cn12 ZINC000091892491 193123100 /nfs/dbraw/zinc/12/31/00/193123100.db2.gz QOGNSEGWQLBZFB-CVEARBPZSA-N 2 2 309.417 2.265 10 30 DEEELP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358582075 147160244 /nfs/dbraw/zinc/16/02/44/147160244.db2.gz ZRKLNANTMMFKIX-CYBMUJFWSA-N 2 2 305.397 2.459 10 30 DEEELP N#Cc1ccc2[nH+]cc(CN3CCC([NH+]4CCCC4)CC3)n2c1 ZINC000127721766 401747409 /nfs/dbraw/zinc/74/74/09/401747409.db2.gz GBLUXNUDJCLRRA-UHFFFAOYSA-N 2 2 309.417 2.266 10 30 DEEELP C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093664530 402018106 /nfs/dbraw/zinc/01/81/06/402018106.db2.gz NAOKVYQWNYJGCA-KRWDZBQOSA-N 2 2 316.445 2.406 10 30 DEEELP C=CCOc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093664530 402018110 /nfs/dbraw/zinc/01/81/10/402018110.db2.gz NAOKVYQWNYJGCA-KRWDZBQOSA-N 2 2 316.445 2.406 10 30 DEEELP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000151278357 402027425 /nfs/dbraw/zinc/02/74/25/402027425.db2.gz UJWWFEIZLGKCLA-AEFFLSMTSA-N 2 2 316.445 2.196 10 30 DEEELP C=C(C)C[C@@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000185946314 402392115 /nfs/dbraw/zinc/39/21/15/402392115.db2.gz ZIQANRJWPMZMCU-HRBLRVMOSA-N 2 2 319.493 2.358 10 30 DEEELP C=C(C)C[C@@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000185946314 402392118 /nfs/dbraw/zinc/39/21/18/402392118.db2.gz ZIQANRJWPMZMCU-HRBLRVMOSA-N 2 2 319.493 2.358 10 30 DEEELP C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364056439 404302830 /nfs/dbraw/zinc/30/28/30/404302830.db2.gz NFGTYKIEJKPFOS-RDJZCZTQSA-N 2 2 307.482 2.216 10 30 DEEELP C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364056439 404302834 /nfs/dbraw/zinc/30/28/34/404302834.db2.gz NFGTYKIEJKPFOS-RDJZCZTQSA-N 2 2 307.482 2.216 10 30 DEEELP C=CCOc1ccccc1C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449398347 405545413 /nfs/dbraw/zinc/54/54/13/405545413.db2.gz XYEKZGQKWCABQM-KRWDZBQOSA-N 2 2 304.434 2.188 10 30 DEEELP C=CCOc1ccccc1C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449398347 405545422 /nfs/dbraw/zinc/54/54/22/405545422.db2.gz XYEKZGQKWCABQM-KRWDZBQOSA-N 2 2 304.434 2.188 10 30 DEEELP C=CCOc1ccccc1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000568239536 406217326 /nfs/dbraw/zinc/21/73/26/406217326.db2.gz OQOMSRGBQJQGLC-UHFFFAOYSA-N 2 2 304.434 2.188 10 30 DEEELP C#Cc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000377687413 527434354 /nfs/dbraw/zinc/43/43/54/527434354.db2.gz AMFFVNNHOXGMPG-WCRBZPEASA-N 2 2 323.484 2.411 10 30 DEEELP C#Cc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000377687413 527434356 /nfs/dbraw/zinc/43/43/56/527434356.db2.gz AMFFVNNHOXGMPG-WCRBZPEASA-N 2 2 323.484 2.411 10 30 DEEELP CC[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)N[C@@H]1C[C@@H]1C ZINC000083880092 633796163 /nfs/dbraw/zinc/79/61/63/633796163.db2.gz YCFJJDYGJHJZRT-KCQAQPDRSA-N 2 2 320.506 2.458 10 30 DEEELP CC[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)N[C@@H]1C[C@@H]1C ZINC000083880092 633796170 /nfs/dbraw/zinc/79/61/70/633796170.db2.gz YCFJJDYGJHJZRT-KCQAQPDRSA-N 2 2 320.506 2.458 10 30 DEEELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000192014494 530052696 /nfs/dbraw/zinc/05/26/96/530052696.db2.gz WKRWJXOBAGLLTJ-HXUWFJFHSA-N 2 2 311.473 2.140 10 30 DEEELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000192014494 530052697 /nfs/dbraw/zinc/05/26/97/530052697.db2.gz WKRWJXOBAGLLTJ-HXUWFJFHSA-N 2 2 311.473 2.140 10 30 DEEELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc3ccc(C#N)cn23)[C@H](C)C1 ZINC000093638966 193277908 /nfs/dbraw/zinc/27/79/08/193277908.db2.gz IUFOOFLYCMMNOM-RHSMWYFYSA-N 2 2 311.433 2.368 10 30 DEEELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc3ccc(C#N)cn23)[C@H](C)C1 ZINC000093638966 193277910 /nfs/dbraw/zinc/27/79/10/193277910.db2.gz IUFOOFLYCMMNOM-RHSMWYFYSA-N 2 2 311.433 2.368 10 30 DEEELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc3ccc(C#N)cn23)[C@H](C)C1 ZINC000093638966 193277912 /nfs/dbraw/zinc/27/79/12/193277912.db2.gz IUFOOFLYCMMNOM-RHSMWYFYSA-N 2 2 311.433 2.368 10 30 DEEELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc3ccc(C#N)cn23)[C@H](C)C1 ZINC000093638966 193277913 /nfs/dbraw/zinc/27/79/13/193277913.db2.gz IUFOOFLYCMMNOM-RHSMWYFYSA-N 2 2 311.433 2.368 10 30 DEEELP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OCC)C23CCOCC3)CC1 ZINC000186325447 402421784 /nfs/dbraw/zinc/42/17/84/402421784.db2.gz AVMXIFUOEFTLDS-IAGOWNOFSA-N 2 2 308.466 2.201 10 30 DEEELP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)C(C)C ZINC000494922982 405784072 /nfs/dbraw/zinc/78/40/72/405784072.db2.gz QAUORKOPCSIMLT-CVEARBPZSA-N 2 2 307.482 2.332 10 30 DEEELP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000092665098 185332626 /nfs/dbraw/zinc/33/26/26/185332626.db2.gz FNOGBGXITDXGRU-HZPDHXFCSA-N 2 2 316.449 2.142 10 30 DEEELP C[N@H+]1C[C@@H]2C[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC000193646343 529823716 /nfs/dbraw/zinc/82/37/16/529823716.db2.gz QYRSPDPVVGAVRY-GASCZTMLSA-N 2 2 324.346 2.430 10 30 DEEELP C[N@@H+]1C[C@@H]2C[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC000193646343 529823717 /nfs/dbraw/zinc/82/37/17/529823717.db2.gz QYRSPDPVVGAVRY-GASCZTMLSA-N 2 2 324.346 2.430 10 30 DEEELP C[NH+]1C[C@@H]2C[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC000193646343 529823719 /nfs/dbraw/zinc/82/37/19/529823719.db2.gz QYRSPDPVVGAVRY-GASCZTMLSA-N 2 2 324.346 2.430 10 30 DEEELP C[NH+]1C[C@@H]2C[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC000193646343 529823720 /nfs/dbraw/zinc/82/37/20/529823720.db2.gz QYRSPDPVVGAVRY-GASCZTMLSA-N 2 2 324.346 2.430 10 30 DEEELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000252744127 145200766 /nfs/dbraw/zinc/20/07/66/145200766.db2.gz VUTPIEIBMRLCAO-FUHWJXTLSA-N 2 2 324.428 2.280 10 30 DEEELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000245419079 402458400 /nfs/dbraw/zinc/45/84/00/402458400.db2.gz GVNPVVKNSYWIOP-WMLDXEAASA-N 2 2 314.433 2.159 10 30 DEEELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000245419079 402458404 /nfs/dbraw/zinc/45/84/04/402458404.db2.gz GVNPVVKNSYWIOP-WMLDXEAASA-N 2 2 314.433 2.159 10 30 DEEELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000245419079 402458406 /nfs/dbraw/zinc/45/84/06/402458406.db2.gz GVNPVVKNSYWIOP-WMLDXEAASA-N 2 2 314.433 2.159 10 30 DEEELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000245419079 402458409 /nfs/dbraw/zinc/45/84/09/402458409.db2.gz GVNPVVKNSYWIOP-WMLDXEAASA-N 2 2 314.433 2.159 10 30 DEEELP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000424295200 405060597 /nfs/dbraw/zinc/06/05/97/405060597.db2.gz MKNXSRHQHJWBLO-CAMMJAKZSA-N 2 2 315.461 2.473 10 30 DEEELP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000424295200 405060600 /nfs/dbraw/zinc/06/06/00/405060600.db2.gz MKNXSRHQHJWBLO-CAMMJAKZSA-N 2 2 315.461 2.473 10 30 DEEELP CC[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)N[C@@H]1C[C@H]1C ZINC000262855882 528812837 /nfs/dbraw/zinc/81/28/37/528812837.db2.gz YCFJJDYGJHJZRT-VNHYZAJKSA-N 2 2 320.506 2.458 10 30 DEEELP CC[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)N[C@@H]1C[C@H]1C ZINC000262855882 528812843 /nfs/dbraw/zinc/81/28/43/528812843.db2.gz YCFJJDYGJHJZRT-VNHYZAJKSA-N 2 2 320.506 2.458 10 30 DEEELP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000092665095 185332552 /nfs/dbraw/zinc/33/25/52/185332552.db2.gz FNOGBGXITDXGRU-HOTGVXAUSA-N 2 2 316.449 2.142 10 30 DEEELP CC[NH+](CC)C[C@@H]1CCN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000093693145 193290940 /nfs/dbraw/zinc/29/09/40/193290940.db2.gz JBOLNUIIUOTOMI-INIZCTEOSA-N 2 2 311.433 2.370 10 30 DEEELP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093693145 193290943 /nfs/dbraw/zinc/29/09/43/193290943.db2.gz JBOLNUIIUOTOMI-INIZCTEOSA-N 2 2 311.433 2.370 10 30 DEEELP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093693145 193290944 /nfs/dbraw/zinc/29/09/44/193290944.db2.gz JBOLNUIIUOTOMI-INIZCTEOSA-N 2 2 311.433 2.370 10 30 DEEELP C=C(C)C[N@@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000351067490 404508671 /nfs/dbraw/zinc/50/86/71/404508671.db2.gz VUWGYWVPVXIDLV-KRWDZBQOSA-N 2 2 315.461 2.400 10 30 DEEELP C=C(C)C[N@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000351067490 404508677 /nfs/dbraw/zinc/50/86/77/404508677.db2.gz VUWGYWVPVXIDLV-KRWDZBQOSA-N 2 2 315.461 2.400 10 30 DEEELP C=CCOc1ccc(C[NH2+]CCc2cn(C)c[nH+]2)cc1OC ZINC000459668850 406001526 /nfs/dbraw/zinc/00/15/26/406001526.db2.gz UMOJGUGBQRPYDG-UHFFFAOYSA-N 2 2 301.390 2.326 10 30 DEEELP C=CCCCCC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000488174449 406299064 /nfs/dbraw/zinc/29/90/64/406299064.db2.gz WPZXYUKUEGYFSG-UHFFFAOYSA-N 2 2 303.454 2.411 10 30 DEEELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CCC[C@H](C#N)C2)nc[nH+]1 ZINC000248877081 341389149 /nfs/dbraw/zinc/38/91/49/341389149.db2.gz JTDKOAVOIRJFMK-SOUVJXGZSA-N 2 2 314.437 2.159 10 30 DEEELP COc1cccc(NC(=[NH2+])NCc2cccnc2-n2cc[nH+]c2)c1 ZINC000170912336 402541378 /nfs/dbraw/zinc/54/13/78/402541378.db2.gz HVXIGWHDZFRFCC-UHFFFAOYSA-N 2 2 322.372 2.203 10 30 DEEELP C=CC[N@@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000494647105 405736551 /nfs/dbraw/zinc/73/65/51/405736551.db2.gz LDLQLFANIRFJAU-INIZCTEOSA-N 2 2 301.434 2.010 10 30 DEEELP C=CC[N@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000494647105 405736559 /nfs/dbraw/zinc/73/65/59/405736559.db2.gz LDLQLFANIRFJAU-INIZCTEOSA-N 2 2 301.434 2.010 10 30 DEEELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000109754642 277045467 /nfs/dbraw/zinc/04/54/67/277045467.db2.gz KYIBQDQUBIECHG-LJQANCHMSA-N 2 2 312.461 2.160 10 30 DEEELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000109754642 277045468 /nfs/dbraw/zinc/04/54/68/277045468.db2.gz KYIBQDQUBIECHG-LJQANCHMSA-N 2 2 312.461 2.160 10 30 DEEELP C#CCCCCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000180279477 337175723 /nfs/dbraw/zinc/17/57/23/337175723.db2.gz RAMLRKIVSDDCBH-UHFFFAOYSA-N 2 2 319.493 2.247 10 30 DEEELP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515815 526524737 /nfs/dbraw/zinc/52/47/37/526524737.db2.gz LKGPZZUQHCHGGK-MRXNPFEDSA-N 2 2 316.449 2.240 10 30 DEEELP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515815 526524742 /nfs/dbraw/zinc/52/47/42/526524742.db2.gz LKGPZZUQHCHGGK-MRXNPFEDSA-N 2 2 316.449 2.240 10 30 DEEELP C=CCc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc(OC)c1O ZINC000368216578 527244099 /nfs/dbraw/zinc/24/40/99/527244099.db2.gz AJBCSKYEXGTNFV-CQSZACIVSA-N 2 2 313.401 2.500 10 30 DEEELP C=CCc1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc(OC)c1O ZINC000368216578 527244103 /nfs/dbraw/zinc/24/41/03/527244103.db2.gz AJBCSKYEXGTNFV-CQSZACIVSA-N 2 2 313.401 2.500 10 30 DEEELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000171922309 198008841 /nfs/dbraw/zinc/00/88/41/198008841.db2.gz XYHVRFZNYIKGHK-LJQANCHMSA-N 2 2 312.461 2.160 10 30 DEEELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000171922309 198008844 /nfs/dbraw/zinc/00/88/44/198008844.db2.gz XYHVRFZNYIKGHK-LJQANCHMSA-N 2 2 312.461 2.160 10 30 DEEELP C=CCCC(C)(C)C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000631678999 368338920 /nfs/dbraw/zinc/33/89/20/368338920.db2.gz CSTDAJCTBUZTOD-UHFFFAOYSA-N 2 2 323.525 2.365 10 30 DEEELP C=CCCC(C)(C)C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000631678999 368338921 /nfs/dbraw/zinc/33/89/21/368338921.db2.gz CSTDAJCTBUZTOD-UHFFFAOYSA-N 2 2 323.525 2.365 10 30 DEEELP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000063195478 184277901 /nfs/dbraw/zinc/27/79/01/184277901.db2.gz PUSGLKJIDOJHRB-DGCLKSJQSA-N 2 2 306.435 2.150 10 30 DEEELP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000063195478 184277902 /nfs/dbraw/zinc/27/79/02/184277902.db2.gz PUSGLKJIDOJHRB-DGCLKSJQSA-N 2 2 306.435 2.150 10 30 DEEELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000120055818 195088349 /nfs/dbraw/zinc/08/83/49/195088349.db2.gz HZNQMUICJFQAKY-OAHLLOKOSA-N 2 2 318.490 2.222 10 30 DEEELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000120055818 195088352 /nfs/dbraw/zinc/08/83/52/195088352.db2.gz HZNQMUICJFQAKY-OAHLLOKOSA-N 2 2 318.490 2.222 10 30 DEEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000246045914 402505584 /nfs/dbraw/zinc/50/55/84/402505584.db2.gz PJMLUGDGSUJXLF-ZWKOTPCHSA-N 2 2 310.401 2.261 10 30 DEEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000246045914 402505588 /nfs/dbraw/zinc/50/55/88/402505588.db2.gz PJMLUGDGSUJXLF-ZWKOTPCHSA-N 2 2 310.401 2.261 10 30 DEEELP Cn1nccc1[C@H]1[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)CCC[N@@H+]1C ZINC000329018255 404203087 /nfs/dbraw/zinc/20/30/87/404203087.db2.gz KWZGDQBZPLQPHL-WBTNSWJXSA-N 2 2 301.438 2.085 10 30 DEEELP Cn1nccc1[C@H]1[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)CCC[N@H+]1C ZINC000329018255 404203095 /nfs/dbraw/zinc/20/30/95/404203095.db2.gz KWZGDQBZPLQPHL-WBTNSWJXSA-N 2 2 301.438 2.085 10 30 DEEELP C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)C[NH+]1CCOCC1 ZINC000358571217 404767158 /nfs/dbraw/zinc/76/71/58/404767158.db2.gz OVLYQPFYNGSDFG-KGLIPLIRSA-N 2 2 305.397 2.316 10 30 DEEELP C[C@@H]1C[NH+](C(C)(C)CNC(=[NH2+])NC2CCCCC2)C[C@@H](C)O1 ZINC000263107227 225291298 /nfs/dbraw/zinc/29/12/98/225291298.db2.gz DBOYFUDGFZJXDA-ZIAGYGMSSA-N 2 2 310.486 2.111 10 30 DEEELP CC[NH+]=C(NCC[NH+]1CCSCC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261828546 528806465 /nfs/dbraw/zinc/80/64/65/528806465.db2.gz VFKOTJPUQFHQBC-IYBDPMFKSA-N 2 2 324.538 2.123 10 30 DEEELP C=C(C)C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)OC ZINC000602735363 360527598 /nfs/dbraw/zinc/52/75/98/360527598.db2.gz VWUNJSNGUCBHNY-MRXNPFEDSA-N 2 2 303.406 2.148 10 30 DEEELP C=CCC[C@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248659566 402602322 /nfs/dbraw/zinc/60/23/22/402602322.db2.gz VJPSATOPQMCSNT-ROUUACIJSA-N 2 2 303.450 2.162 10 30 DEEELP C=CCC[C@H](O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248659566 402602325 /nfs/dbraw/zinc/60/23/25/402602325.db2.gz VJPSATOPQMCSNT-ROUUACIJSA-N 2 2 303.450 2.162 10 30 DEEELP C=CCC[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248659566 402602327 /nfs/dbraw/zinc/60/23/27/402602327.db2.gz VJPSATOPQMCSNT-ROUUACIJSA-N 2 2 303.450 2.162 10 30 DEEELP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248659566 402602330 /nfs/dbraw/zinc/60/23/30/402602330.db2.gz VJPSATOPQMCSNT-ROUUACIJSA-N 2 2 303.450 2.162 10 30 DEEELP C[N@H+](CC(=O)NCC1CC1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328634999 404120667 /nfs/dbraw/zinc/12/06/67/404120667.db2.gz NAOVAYCNFKBYKF-WMZOPIPTSA-N 2 2 316.449 2.373 10 30 DEEELP C[NH+](CC(=O)NCC1CC1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328634999 404120671 /nfs/dbraw/zinc/12/06/71/404120671.db2.gz NAOVAYCNFKBYKF-WMZOPIPTSA-N 2 2 316.449 2.373 10 30 DEEELP C[NH+](CC(=O)NCC1CC1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328634999 404120676 /nfs/dbraw/zinc/12/06/76/404120676.db2.gz NAOVAYCNFKBYKF-WMZOPIPTSA-N 2 2 316.449 2.373 10 30 DEEELP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000330047371 404538290 /nfs/dbraw/zinc/53/82/90/404538290.db2.gz HQBHQFLVSZAJFX-WLYUNCDWSA-N 2 2 302.422 2.419 10 30 DEEELP C=CCCC(C)(C)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000636988567 406142872 /nfs/dbraw/zinc/14/28/72/406142872.db2.gz WOLZAULJRKVDRY-UHFFFAOYSA-N 2 2 324.513 2.304 10 30 DEEELP COCc1ccccc1NC(=[NH2+])NCc1cn2c([nH+]1)CCCC2 ZINC000262357422 225268413 /nfs/dbraw/zinc/26/84/13/225268413.db2.gz GDTZBSZBHWQBQV-UHFFFAOYSA-N 2 2 313.405 2.293 10 30 DEEELP COc1ccc(C#CC[NH3+])c(C[N@H+](C)Cc2cscn2)c1 ZINC000087794726 185231967 /nfs/dbraw/zinc/23/19/67/185231967.db2.gz KFSPLDYJVLCVBY-UHFFFAOYSA-N 2 2 301.415 2.094 10 30 DEEELP COc1ccc(C#CC[NH3+])c(C[N@@H+](C)Cc2cscn2)c1 ZINC000087794726 185231968 /nfs/dbraw/zinc/23/19/68/185231968.db2.gz KFSPLDYJVLCVBY-UHFFFAOYSA-N 2 2 301.415 2.094 10 30 DEEELP C=C1CC(C)(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000630862359 367886439 /nfs/dbraw/zinc/88/64/39/367886439.db2.gz HMWLLILZQMRMDY-UHFFFAOYSA-N 2 2 305.466 2.018 10 30 DEEELP Cc1sc(NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+])c(C#N)c1C ZINC000093873833 193322387 /nfs/dbraw/zinc/32/23/87/193322387.db2.gz VZOCPZCYLFDLJD-UHFFFAOYSA-N 2 2 308.451 2.092 10 30 DEEELP Cc1sc(NC(=O)C[N@H+](C)CC(C)(C)C[NH3+])c(C#N)c1C ZINC000093873833 193322389 /nfs/dbraw/zinc/32/23/89/193322389.db2.gz VZOCPZCYLFDLJD-UHFFFAOYSA-N 2 2 308.451 2.092 10 30 DEEELP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cc(C#N)n(C)c2)cn1 ZINC000190802431 145048039 /nfs/dbraw/zinc/04/80/39/145048039.db2.gz HMKROJIXUBHZDJ-UHFFFAOYSA-N 2 2 306.373 2.076 10 30 DEEELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000249627775 145188147 /nfs/dbraw/zinc/18/81/47/145188147.db2.gz QSEWQCCYIXALMP-DNVCBOLYSA-N 2 2 323.444 2.292 10 30 DEEELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000249627775 145188149 /nfs/dbraw/zinc/18/81/49/145188149.db2.gz QSEWQCCYIXALMP-DNVCBOLYSA-N 2 2 323.444 2.292 10 30 DEEELP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(C#N)cc1F ZINC000358571218 147158400 /nfs/dbraw/zinc/15/84/00/147158400.db2.gz OVLYQPFYNGSDFG-UONOGXRCSA-N 2 2 305.397 2.316 10 30 DEEELP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(C#N)cc1F ZINC000358598485 147164005 /nfs/dbraw/zinc/16/40/05/147164005.db2.gz YMXKSPGZWKLUHF-ZDUSSCGKSA-N 2 2 305.397 2.195 10 30 DEEELP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000125433832 402232466 /nfs/dbraw/zinc/23/24/66/402232466.db2.gz VVJXPJWSPPAXRV-UHFFFAOYSA-N 2 2 324.432 2.061 10 30 DEEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000178752911 402535295 /nfs/dbraw/zinc/53/52/95/402535295.db2.gz DVEBLXROGXUDOF-KRWDZBQOSA-N 2 2 323.400 2.166 10 30 DEEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000178752911 402535298 /nfs/dbraw/zinc/53/52/98/402535298.db2.gz DVEBLXROGXUDOF-KRWDZBQOSA-N 2 2 323.400 2.166 10 30 DEEELP CCN1CC[NH+](C[C@@H](C)CNc2cc(C)[nH+]c(C)c2C#N)CC1 ZINC000301803031 403681764 /nfs/dbraw/zinc/68/17/64/403681764.db2.gz WTCQSRKRKAMUNU-AWEZNQCLSA-N 2 2 315.465 2.256 10 30 DEEELP C[C@@H](CCC#N)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000411572072 403898973 /nfs/dbraw/zinc/89/89/73/403898973.db2.gz QWXSCHUCLIWUSJ-FUHWJXTLSA-N 2 2 301.434 2.247 10 30 DEEELP C[C@@H](CCC#N)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000411572072 403898984 /nfs/dbraw/zinc/89/89/84/403898984.db2.gz QWXSCHUCLIWUSJ-FUHWJXTLSA-N 2 2 301.434 2.247 10 30 DEEELP C[C@@H](CCC#N)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000411572072 403898990 /nfs/dbraw/zinc/89/89/90/403898990.db2.gz QWXSCHUCLIWUSJ-FUHWJXTLSA-N 2 2 301.434 2.247 10 30 DEEELP C[C@@H](CCC#N)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000411572072 403898997 /nfs/dbraw/zinc/89/89/97/403898997.db2.gz QWXSCHUCLIWUSJ-FUHWJXTLSA-N 2 2 301.434 2.247 10 30 DEEELP C=CCOc1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000449393640 405542704 /nfs/dbraw/zinc/54/27/04/405542704.db2.gz MIRRMEWQIUWBDF-QGZVFWFLSA-N 2 2 304.434 2.188 10 30 DEEELP C=CCOc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000449393640 405542708 /nfs/dbraw/zinc/54/27/08/405542708.db2.gz MIRRMEWQIUWBDF-QGZVFWFLSA-N 2 2 304.434 2.188 10 30 DEEELP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374205690 526541577 /nfs/dbraw/zinc/54/15/77/526541577.db2.gz ACNYSOJTSLTEAE-AWEZNQCLSA-N 2 2 304.438 2.402 10 30 DEEELP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374205690 526541583 /nfs/dbraw/zinc/54/15/83/526541583.db2.gz ACNYSOJTSLTEAE-AWEZNQCLSA-N 2 2 304.438 2.402 10 30 DEEELP CC[NH+]=C(NCC[NH+]1CCC1)N1CC[C@](C)(c2ccccc2)C1 ZINC000261861327 636628449 /nfs/dbraw/zinc/62/84/49/636628449.db2.gz ZIAMHYZXMVSOQN-IBGZPJMESA-N 2 2 314.477 2.321 10 30 DEEELP C=CCC[C@H](O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248659563 402602304 /nfs/dbraw/zinc/60/23/04/402602304.db2.gz VJPSATOPQMCSNT-MSOLQXFVSA-N 2 2 303.450 2.162 10 30 DEEELP C=CCC[C@H](O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248659563 402602308 /nfs/dbraw/zinc/60/23/08/402602308.db2.gz VJPSATOPQMCSNT-MSOLQXFVSA-N 2 2 303.450 2.162 10 30 DEEELP C=CCC[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248659563 402602311 /nfs/dbraw/zinc/60/23/11/402602311.db2.gz VJPSATOPQMCSNT-MSOLQXFVSA-N 2 2 303.450 2.162 10 30 DEEELP C=CCC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248659563 402602313 /nfs/dbraw/zinc/60/23/13/402602313.db2.gz VJPSATOPQMCSNT-MSOLQXFVSA-N 2 2 303.450 2.162 10 30 DEEELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(OCC#N)cc1 ZINC000181559096 402649917 /nfs/dbraw/zinc/64/99/17/402649917.db2.gz HDDBARRYIHFQBT-RDJZCZTQSA-N 2 2 317.433 2.086 10 30 DEEELP C=CCCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000344770299 404359064 /nfs/dbraw/zinc/35/90/64/404359064.db2.gz NINDTHTWACZAMY-UHFFFAOYSA-N 2 2 315.461 2.229 10 30 DEEELP C=CCCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000344770299 404359068 /nfs/dbraw/zinc/35/90/68/404359068.db2.gz NINDTHTWACZAMY-UHFFFAOYSA-N 2 2 315.461 2.229 10 30 DEEELP O=C(CN1CCC[C@@H]1c1[nH]cc[nH+]1)NC1CC[NH+](C2CC2)CC1 ZINC000329238031 295389549 /nfs/dbraw/zinc/38/95/49/295389549.db2.gz KUAPVRTVTMKQOV-OAHLLOKOSA-N 2 2 317.437 2.130 10 30 DEEELP Cc1cc(N2CCO[C@@H](C[N@H+](C)CC3CC3)C2)c(C#N)c(C)[nH+]1 ZINC000328651954 356466259 /nfs/dbraw/zinc/46/62/59/356466259.db2.gz WFEDVSAZBQEPBT-INIZCTEOSA-N 2 2 314.433 2.117 10 30 DEEELP Cc1cc(N2CCO[C@@H](C[N@@H+](C)CC3CC3)C2)c(C#N)c(C)[nH+]1 ZINC000328651954 356466265 /nfs/dbraw/zinc/46/62/65/356466265.db2.gz WFEDVSAZBQEPBT-INIZCTEOSA-N 2 2 314.433 2.117 10 30 DEEELP N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000602887008 360610348 /nfs/dbraw/zinc/61/03/48/360610348.db2.gz TZKDIMLJQNCNEW-FHWLQOOXSA-N 2 2 313.445 2.295 10 30 DEEELP N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000602887008 360610351 /nfs/dbraw/zinc/61/03/51/360610351.db2.gz TZKDIMLJQNCNEW-FHWLQOOXSA-N 2 2 313.445 2.295 10 30 DEEELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000252744128 145201104 /nfs/dbraw/zinc/20/11/04/145201104.db2.gz VUTPIEIBMRLCAO-SJLPKXTDSA-N 2 2 324.428 2.280 10 30 DEEELP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000424173493 405030034 /nfs/dbraw/zinc/03/00/34/405030034.db2.gz QAIWLSBLKOJDAW-YJBOKZPZSA-N 2 2 301.434 2.227 10 30 DEEELP C=C(CC)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000455529061 405422325 /nfs/dbraw/zinc/42/23/25/405422325.db2.gz XTLJBWBWBCRWEY-UHFFFAOYSA-N 2 2 322.497 2.202 10 30 DEEELP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261666802 275734000 /nfs/dbraw/zinc/73/40/00/275734000.db2.gz GLBMIUXGGBNRCT-GASCZTMLSA-N 2 2 315.465 2.417 10 30 DEEELP C=C[C@@](C)(CC)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000135149181 341232285 /nfs/dbraw/zinc/23/22/85/341232285.db2.gz HGPZMABAKIPVHZ-RZRMAFQFSA-N 2 2 319.493 2.358 10 30 DEEELP C=C[C@@](C)(CC)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000135149181 341232286 /nfs/dbraw/zinc/23/22/86/341232286.db2.gz HGPZMABAKIPVHZ-RZRMAFQFSA-N 2 2 319.493 2.358 10 30 DEEELP C=CCc1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc(OC)c1O ZINC000422562403 527236429 /nfs/dbraw/zinc/23/64/29/527236429.db2.gz PWRKYOWSBNDQDP-UHFFFAOYSA-N 2 2 302.418 2.457 10 30 DEEELP CCC(CC)[C@@H](CNC(=[NH2+])NC1CCCCC1)[NH+]1CCOCC1 ZINC000303771956 685232892 /nfs/dbraw/zinc/23/28/92/685232892.db2.gz DCOCZDBJZHITRL-QGZVFWFLSA-N 2 2 324.513 2.360 10 30 DEEELP CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC000886082473 691999843 /nfs/dbraw/zinc/99/98/43/691999843.db2.gz DIPHBNBKEWOPSF-NXHRZFHOSA-N 2 2 317.408 2.429 10 30 DEEELP CO[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC000886082473 691999846 /nfs/dbraw/zinc/99/98/46/691999846.db2.gz DIPHBNBKEWOPSF-NXHRZFHOSA-N 2 2 317.408 2.429 10 30 DEEELP C=CC[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074767902 185016654 /nfs/dbraw/zinc/01/66/54/185016654.db2.gz PPZRMGIOIGZMHW-INIZCTEOSA-N 2 2 322.497 2.201 10 30 DEEELP Cc1cn2cc(NC(=O)N3CC[N@@H+]4CCCC[C@H]4C3)ccc2[nH+]1 ZINC000329425455 539920040 /nfs/dbraw/zinc/92/00/40/539920040.db2.gz IWIAFOKOFVZKTE-HNNXBMFYSA-N 2 2 313.405 2.358 10 30 DEEELP Cc1cn2cc(NC(=O)N3CC[N@H+]4CCCC[C@H]4C3)ccc2[nH+]1 ZINC000329425455 539920044 /nfs/dbraw/zinc/92/00/44/539920044.db2.gz IWIAFOKOFVZKTE-HNNXBMFYSA-N 2 2 313.405 2.358 10 30 DEEELP C=C1CC(C)(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000631528974 368270167 /nfs/dbraw/zinc/27/01/67/368270167.db2.gz CPKSIQGZFMZWMA-UHFFFAOYSA-N 2 2 319.493 2.409 10 30 DEEELP C[N@H+](Cc1ccc(C#N)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863073 194150682 /nfs/dbraw/zinc/15/06/82/194150682.db2.gz DTLQMKNSRAEGGZ-UHFFFAOYSA-N 2 2 323.444 2.351 10 30 DEEELP C[N@@H+](Cc1ccc(C#N)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863073 194150684 /nfs/dbraw/zinc/15/06/84/194150684.db2.gz DTLQMKNSRAEGGZ-UHFFFAOYSA-N 2 2 323.444 2.351 10 30 DEEELP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(C#N)cc1F ZINC000358598480 147163755 /nfs/dbraw/zinc/16/37/55/147163755.db2.gz YMXKSPGZWKLUHF-CYBMUJFWSA-N 2 2 305.397 2.195 10 30 DEEELP N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246057866 402506203 /nfs/dbraw/zinc/50/62/03/402506203.db2.gz QXOADBLEAQMWOT-SJLPKXTDSA-N 2 2 322.412 2.421 10 30 DEEELP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246057866 402506207 /nfs/dbraw/zinc/50/62/07/402506207.db2.gz QXOADBLEAQMWOT-SJLPKXTDSA-N 2 2 322.412 2.421 10 30 DEEELP COc1ccc(NC(=[NH2+])NCc2cccnc2-n2cc[nH+]c2)cc1 ZINC000170912341 402541271 /nfs/dbraw/zinc/54/12/71/402541271.db2.gz CZFUERZLJUSUFC-UHFFFAOYSA-N 2 2 322.372 2.203 10 30 DEEELP C=CCC(C)(C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000343759912 335190994 /nfs/dbraw/zinc/19/09/94/335190994.db2.gz XUEDCDQULFQXRU-SJPCQFCGSA-N 2 2 319.493 2.358 10 30 DEEELP C=CCC(C)(C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000343759912 335190995 /nfs/dbraw/zinc/19/09/95/335190995.db2.gz XUEDCDQULFQXRU-SJPCQFCGSA-N 2 2 319.493 2.358 10 30 DEEELP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000329062995 282207530 /nfs/dbraw/zinc/20/75/30/282207530.db2.gz VEWANHYZZLLCSS-RDTXWAMCSA-N 2 2 321.384 2.187 10 30 DEEELP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000329062995 282207531 /nfs/dbraw/zinc/20/75/31/282207531.db2.gz VEWANHYZZLLCSS-RDTXWAMCSA-N 2 2 321.384 2.187 10 30 DEEELP N#Cc1ccc2ncc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)n2c1 ZINC000093597390 193272518 /nfs/dbraw/zinc/27/25/18/193272518.db2.gz FWEPAESTAOZZLT-MRXNPFEDSA-N 2 2 309.417 2.124 10 30 DEEELP N#Cc1ccc2ncc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)n2c1 ZINC000093597390 193272520 /nfs/dbraw/zinc/27/25/20/193272520.db2.gz FWEPAESTAOZZLT-MRXNPFEDSA-N 2 2 309.417 2.124 10 30 DEEELP COc1cc[nH+]c(N2CC[NH+](CC#Cc3ccccc3)CC2)c1 ZINC000191996359 533067178 /nfs/dbraw/zinc/06/71/78/533067178.db2.gz GWBGARADMISDPF-UHFFFAOYSA-N 2 2 307.397 2.264 10 30 DEEELP C=CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093663854 402018394 /nfs/dbraw/zinc/01/83/94/402018394.db2.gz URINLPWFJIUYHC-GOSISDBHSA-N 2 2 316.445 2.406 10 30 DEEELP C=CCOc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093663854 402018395 /nfs/dbraw/zinc/01/83/95/402018395.db2.gz URINLPWFJIUYHC-GOSISDBHSA-N 2 2 316.445 2.406 10 30 DEEELP Cn1nccc1[C@H]1[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)CCC[N@@H+]1C ZINC000329018254 404203882 /nfs/dbraw/zinc/20/38/82/404203882.db2.gz KWZGDQBZPLQPHL-QBYUYEEZSA-N 2 2 301.438 2.085 10 30 DEEELP Cn1nccc1[C@H]1[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)CCC[N@H+]1C ZINC000329018254 404203887 /nfs/dbraw/zinc/20/38/87/404203887.db2.gz KWZGDQBZPLQPHL-QBYUYEEZSA-N 2 2 301.438 2.085 10 30 DEEELP C=CC(C)(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000449963826 405721285 /nfs/dbraw/zinc/72/12/85/405721285.db2.gz CMOSZKUYXCOHDE-UHFFFAOYSA-N 2 2 307.482 2.265 10 30 DEEELP C[NH+]=C(NCC[NH+]1CCC1)NCc1ccc(Cl)cc1Cl ZINC000261757521 526355820 /nfs/dbraw/zinc/35/58/20/526355820.db2.gz QUUFOOOMPJXZRL-UHFFFAOYSA-N 2 2 315.248 2.364 10 30 DEEELP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246246983 526525573 /nfs/dbraw/zinc/52/55/73/526525573.db2.gz ISHVTHMPQVPYPD-HOTGVXAUSA-N 2 2 304.438 2.191 10 30 DEEELP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246246983 526525577 /nfs/dbraw/zinc/52/55/77/526525577.db2.gz ISHVTHMPQVPYPD-HOTGVXAUSA-N 2 2 304.438 2.191 10 30 DEEELP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246515934 527612610 /nfs/dbraw/zinc/61/26/10/527612610.db2.gz IMTSUPOTDXSFNU-FUHWJXTLSA-N 2 2 317.477 2.136 10 30 DEEELP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246515934 527612614 /nfs/dbraw/zinc/61/26/14/527612614.db2.gz IMTSUPOTDXSFNU-FUHWJXTLSA-N 2 2 317.477 2.136 10 30 DEEELP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246515934 527612619 /nfs/dbraw/zinc/61/26/19/527612619.db2.gz IMTSUPOTDXSFNU-FUHWJXTLSA-N 2 2 317.477 2.136 10 30 DEEELP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246515934 527612624 /nfs/dbraw/zinc/61/26/24/527612624.db2.gz IMTSUPOTDXSFNU-FUHWJXTLSA-N 2 2 317.477 2.136 10 30 DEEELP C=CC[NH+]1CCC([NH2+][C@H]2C[C@@H](OCC)C23CCOCC3)CC1 ZINC000186325411 402421700 /nfs/dbraw/zinc/42/17/00/402421700.db2.gz AVMXIFUOEFTLDS-DLBZAZTESA-N 2 2 308.466 2.201 10 30 DEEELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000246977971 402551638 /nfs/dbraw/zinc/55/16/38/402551638.db2.gz JMAGDBZRUOZNPI-GXTWGEPZSA-N 2 2 320.462 2.220 10 30 DEEELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000246977971 402551643 /nfs/dbraw/zinc/55/16/43/402551643.db2.gz JMAGDBZRUOZNPI-GXTWGEPZSA-N 2 2 320.462 2.220 10 30 DEEELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000246977971 402551644 /nfs/dbraw/zinc/55/16/44/402551644.db2.gz JMAGDBZRUOZNPI-GXTWGEPZSA-N 2 2 320.462 2.220 10 30 DEEELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000246977971 402551648 /nfs/dbraw/zinc/55/16/48/402551648.db2.gz JMAGDBZRUOZNPI-GXTWGEPZSA-N 2 2 320.462 2.220 10 30 DEEELP C=C(C)C(C)(C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000424757005 405168981 /nfs/dbraw/zinc/16/89/81/405168981.db2.gz SVWITISAPUZXFU-SJPCQFCGSA-N 2 2 319.493 2.358 10 30 DEEELP C=C(C)C(C)(C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000424757005 405168986 /nfs/dbraw/zinc/16/89/86/405168986.db2.gz SVWITISAPUZXFU-SJPCQFCGSA-N 2 2 319.493 2.358 10 30 DEEELP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330068541 279712927 /nfs/dbraw/zinc/71/29/27/279712927.db2.gz VLIJKHOFHHGNFT-WLYUNCDWSA-N 2 2 302.422 2.419 10 30 DEEELP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374209196 527627918 /nfs/dbraw/zinc/62/79/18/527627918.db2.gz ARGOPGBDTUBWER-CQSZACIVSA-N 2 2 302.422 2.178 10 30 DEEELP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374209196 527627921 /nfs/dbraw/zinc/62/79/21/527627921.db2.gz ARGOPGBDTUBWER-CQSZACIVSA-N 2 2 302.422 2.178 10 30 DEEELP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000151278427 402027608 /nfs/dbraw/zinc/02/76/08/402027608.db2.gz UJWWFEIZLGKCLA-FUHWJXTLSA-N 2 2 316.445 2.196 10 30 DEEELP CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000328640338 404121967 /nfs/dbraw/zinc/12/19/67/404121967.db2.gz CMHLWKMNSRGVFD-CABCVRRESA-N 2 2 319.453 2.057 10 30 DEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)CCC2 ZINC000328700894 404134535 /nfs/dbraw/zinc/13/45/35/404134535.db2.gz IWSZMYXAYSDJFR-GJZGRUSLSA-N 2 2 319.453 2.009 10 30 DEEELP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000424295206 405061836 /nfs/dbraw/zinc/06/18/36/405061836.db2.gz MKNXSRHQHJWBLO-JFRXWTBNSA-N 2 2 315.461 2.473 10 30 DEEELP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000424295206 405061841 /nfs/dbraw/zinc/06/18/41/405061841.db2.gz MKNXSRHQHJWBLO-JFRXWTBNSA-N 2 2 315.461 2.473 10 30 DEEELP C=CCc1cc(C[NH2+]CCc2cn(C)c[nH+]2)cc(OC)c1O ZINC000459655976 405999100 /nfs/dbraw/zinc/99/91/00/405999100.db2.gz GWRTUYWJEVNNAT-UHFFFAOYSA-N 2 2 301.390 2.195 10 30 DEEELP C=C(C)C[C@@H](C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000185349958 337204424 /nfs/dbraw/zinc/20/44/24/337204424.db2.gz GVFUVVYNAJBPCM-OAHLLOKOSA-N 2 2 307.482 2.264 10 30 DEEELP N#Cc1ccc2ncc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)n2c1 ZINC000093597393 193272369 /nfs/dbraw/zinc/27/23/69/193272369.db2.gz FWEPAESTAOZZLT-INIZCTEOSA-N 2 2 309.417 2.124 10 30 DEEELP N#Cc1ccc2ncc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)n2c1 ZINC000093597393 193272372 /nfs/dbraw/zinc/27/23/72/193272372.db2.gz FWEPAESTAOZZLT-INIZCTEOSA-N 2 2 309.417 2.124 10 30 DEEELP C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)C[NH+]1CCOCC1 ZINC000358571216 147158733 /nfs/dbraw/zinc/15/87/33/147158733.db2.gz OVLYQPFYNGSDFG-KBPBESRZSA-N 2 2 305.397 2.316 10 30 DEEELP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093742118 402019613 /nfs/dbraw/zinc/01/96/13/402019613.db2.gz HSPRPGCHFWRSQY-MRXNPFEDSA-N 2 2 311.433 2.370 10 30 DEEELP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093742118 402019616 /nfs/dbraw/zinc/01/96/16/402019616.db2.gz HSPRPGCHFWRSQY-MRXNPFEDSA-N 2 2 311.433 2.370 10 30 DEEELP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093742118 402019618 /nfs/dbraw/zinc/01/96/18/402019618.db2.gz HSPRPGCHFWRSQY-MRXNPFEDSA-N 2 2 311.433 2.370 10 30 DEEELP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093742118 402019621 /nfs/dbraw/zinc/01/96/21/402019621.db2.gz HSPRPGCHFWRSQY-MRXNPFEDSA-N 2 2 311.433 2.370 10 30 DEEELP CCC[N@H+](C)C[C@H]1CCN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000093742118 402019624 /nfs/dbraw/zinc/01/96/24/402019624.db2.gz HSPRPGCHFWRSQY-MRXNPFEDSA-N 2 2 311.433 2.370 10 30 DEEELP CCC[N@@H+](C)C[C@H]1CCN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000093742118 402019625 /nfs/dbraw/zinc/01/96/25/402019625.db2.gz HSPRPGCHFWRSQY-MRXNPFEDSA-N 2 2 311.433 2.370 10 30 DEEELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc4ccc(C#N)cn34)CC[C@@H]21 ZINC000092043270 402000815 /nfs/dbraw/zinc/00/08/15/402000815.db2.gz FOPOLLCFXDBKBA-RDJZCZTQSA-N 2 2 309.417 2.122 10 30 DEEELP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc4ccc(C#N)cn34)CC[C@@H]21 ZINC000092043270 402000819 /nfs/dbraw/zinc/00/08/19/402000819.db2.gz FOPOLLCFXDBKBA-RDJZCZTQSA-N 2 2 309.417 2.122 10 30 DEEELP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc4ccc(C#N)cn34)CC[C@@H]21 ZINC000092043270 402000821 /nfs/dbraw/zinc/00/08/21/402000821.db2.gz FOPOLLCFXDBKBA-RDJZCZTQSA-N 2 2 309.417 2.122 10 30 DEEELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc4ccc(C#N)cn34)CC[C@@H]21 ZINC000092043270 402000824 /nfs/dbraw/zinc/00/08/24/402000824.db2.gz FOPOLLCFXDBKBA-RDJZCZTQSA-N 2 2 309.417 2.122 10 30 DEEELP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000328640341 404122683 /nfs/dbraw/zinc/12/26/83/404122683.db2.gz CMHLWKMNSRGVFD-GJZGRUSLSA-N 2 2 319.453 2.057 10 30 DEEELP Cc1[nH+]ccn1CC[NH+]=C([O-])N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000329147634 539915107 /nfs/dbraw/zinc/91/51/07/539915107.db2.gz AYENDIANXCJUAP-MRXNPFEDSA-N 2 2 319.453 2.056 10 30 DEEELP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000123673381 402140771 /nfs/dbraw/zinc/14/07/71/402140771.db2.gz UBZCICPIDBPQSW-UHFFFAOYSA-N 2 2 309.417 2.336 10 30 DEEELP C=C(C)C[C@H](C)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194941 406050525 /nfs/dbraw/zinc/05/05/25/406050525.db2.gz ZBUXCNYLLMTYOI-AWEZNQCLSA-N 2 2 302.422 2.374 10 30 DEEELP C=CC(C)(C)CCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000637320132 406256334 /nfs/dbraw/zinc/25/63/34/406256334.db2.gz MPDLDWHVXSVCSM-UHFFFAOYSA-N 2 2 324.513 2.256 10 30 DEEELP C=CC(C)(C)CCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000637320132 406256337 /nfs/dbraw/zinc/25/63/37/406256337.db2.gz MPDLDWHVXSVCSM-UHFFFAOYSA-N 2 2 324.513 2.256 10 30 DEEELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000175724842 402826789 /nfs/dbraw/zinc/82/67/89/402826789.db2.gz JMAGDBZRUOZNPI-OCCSQVGLSA-N 2 2 320.462 2.220 10 30 DEEELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000175724842 402826792 /nfs/dbraw/zinc/82/67/92/402826792.db2.gz JMAGDBZRUOZNPI-OCCSQVGLSA-N 2 2 320.462 2.220 10 30 DEEELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000175724842 402826793 /nfs/dbraw/zinc/82/67/93/402826793.db2.gz JMAGDBZRUOZNPI-OCCSQVGLSA-N 2 2 320.462 2.220 10 30 DEEELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000175724842 402826795 /nfs/dbraw/zinc/82/67/95/402826795.db2.gz JMAGDBZRUOZNPI-OCCSQVGLSA-N 2 2 320.462 2.220 10 30 DEEELP C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364056437 404302852 /nfs/dbraw/zinc/30/28/52/404302852.db2.gz NFGTYKIEJKPFOS-DOTOQJQBSA-N 2 2 307.482 2.216 10 30 DEEELP C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364056437 404302857 /nfs/dbraw/zinc/30/28/57/404302857.db2.gz NFGTYKIEJKPFOS-DOTOQJQBSA-N 2 2 307.482 2.216 10 30 DEEELP C=CCc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc(OC)c1O ZINC000368216577 527243531 /nfs/dbraw/zinc/24/35/31/527243531.db2.gz AJBCSKYEXGTNFV-AWEZNQCLSA-N 2 2 313.401 2.500 10 30 DEEELP C=CCc1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc(OC)c1O ZINC000368216577 527243541 /nfs/dbraw/zinc/24/35/41/527243541.db2.gz AJBCSKYEXGTNFV-AWEZNQCLSA-N 2 2 313.401 2.500 10 30 DEEELP Cc1cc(NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c(C#N)c(C)[nH+]1 ZINC000328615585 356460864 /nfs/dbraw/zinc/46/08/64/356460864.db2.gz AXOGAVPUKSUDSV-LPHOPBHVSA-N 2 2 321.428 2.492 10 30 DEEELP Cn1nccc1[C@@H]1[C@H](C[NH2+]Cc2ccc(C#N)cc2)CCC[N@@H+]1C ZINC000343473086 403605028 /nfs/dbraw/zinc/60/50/28/403605028.db2.gz ZIPNPBITBNLXMN-HKUYNNGSSA-N 2 2 323.444 2.464 10 30 DEEELP Cn1nccc1[C@@H]1[C@H](C[NH2+]Cc2ccc(C#N)cc2)CCC[N@H+]1C ZINC000343473086 403605033 /nfs/dbraw/zinc/60/50/33/403605033.db2.gz ZIPNPBITBNLXMN-HKUYNNGSSA-N 2 2 323.444 2.464 10 30 DEEELP C=C(C)C[NH+]1CCC([NH2+]Cc2cccn(C(F)F)c2=O)CC1 ZINC000638524400 405526606 /nfs/dbraw/zinc/52/66/06/405526606.db2.gz NFSJKGSOUUIXHN-UHFFFAOYSA-N 2 2 311.376 2.374 10 30 DEEELP CC[NH+]=C(NCC[NH+]1CCC1)N1CC[C@@](C)(c2ccccc2)C1 ZINC000261861328 636628514 /nfs/dbraw/zinc/62/85/14/636628514.db2.gz ZIAMHYZXMVSOQN-LJQANCHMSA-N 2 2 314.477 2.321 10 30 DEEELP C=CCCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000076735685 355165330 /nfs/dbraw/zinc/16/53/30/355165330.db2.gz IZRLPXRBXFZSRM-UHFFFAOYSA-N 2 2 321.490 2.290 10 30 DEEELP C=CCCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000076735685 355165336 /nfs/dbraw/zinc/16/53/36/355165336.db2.gz IZRLPXRBXFZSRM-UHFFFAOYSA-N 2 2 321.490 2.290 10 30 DEEELP CC[NH+](CC)C[C@H]1CCN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000093693147 402019367 /nfs/dbraw/zinc/01/93/67/402019367.db2.gz JBOLNUIIUOTOMI-MRXNPFEDSA-N 2 2 311.433 2.370 10 30 DEEELP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093693147 402019371 /nfs/dbraw/zinc/01/93/71/402019371.db2.gz JBOLNUIIUOTOMI-MRXNPFEDSA-N 2 2 311.433 2.370 10 30 DEEELP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093693147 402019374 /nfs/dbraw/zinc/01/93/74/402019374.db2.gz JBOLNUIIUOTOMI-MRXNPFEDSA-N 2 2 311.433 2.370 10 30 DEEELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000246403023 402529000 /nfs/dbraw/zinc/52/90/00/402529000.db2.gz APBBGMXEMBJZPA-WMLDXEAASA-N 2 2 314.433 2.159 10 30 DEEELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000246403023 402529004 /nfs/dbraw/zinc/52/90/04/402529004.db2.gz APBBGMXEMBJZPA-WMLDXEAASA-N 2 2 314.433 2.159 10 30 DEEELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000246403023 402529006 /nfs/dbraw/zinc/52/90/06/402529006.db2.gz APBBGMXEMBJZPA-WMLDXEAASA-N 2 2 314.433 2.159 10 30 DEEELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000246403023 402529010 /nfs/dbraw/zinc/52/90/10/402529010.db2.gz APBBGMXEMBJZPA-WMLDXEAASA-N 2 2 314.433 2.159 10 30 DEEELP N#Cc1ccc2ncc(C[NH+]3CCC(n4cc[nH+]c4)CC3)n2c1 ZINC000092648564 185331456 /nfs/dbraw/zinc/33/14/56/185331456.db2.gz BQPHKIRUPXSQAG-UHFFFAOYSA-N 2 2 306.373 2.240 10 30 DEEELP C[NH+](C)Cc1ccc2c(c1)[C@@H](C#N)N(CCCn1cc[nH+]c1)C2=O ZINC000071680509 191005910 /nfs/dbraw/zinc/00/59/10/191005910.db2.gz DIFNWNZBPIVEPT-QGZVFWFLSA-N 2 2 323.400 2.055 10 30 DEEELP C[NH+]1CCN([C@@H]2CCCC[N@H+](CC#Cc3ccccc3)C2)CC1 ZINC000192118890 402712619 /nfs/dbraw/zinc/71/26/19/402712619.db2.gz ACQOEQYOPFWFPX-HXUWFJFHSA-N 2 2 311.473 2.140 10 30 DEEELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CC#Cc3ccccc3)C2)CC1 ZINC000192118890 402712621 /nfs/dbraw/zinc/71/26/21/402712621.db2.gz ACQOEQYOPFWFPX-HXUWFJFHSA-N 2 2 311.473 2.140 10 30 DEEELP Cc1cc(NC[C@H]2C[N@H+](CC(C)C)CCO2)c(C#N)c(C)[nH+]1 ZINC000301797819 403680626 /nfs/dbraw/zinc/68/06/26/403680626.db2.gz UKHCCTQLTIHANC-HNNXBMFYSA-N 2 2 302.422 2.339 10 30 DEEELP Cc1cc(NC[C@H]2C[N@@H+](CC(C)C)CCO2)c(C#N)c(C)[nH+]1 ZINC000301797819 403680628 /nfs/dbraw/zinc/68/06/28/403680628.db2.gz UKHCCTQLTIHANC-HNNXBMFYSA-N 2 2 302.422 2.339 10 30 DEEELP [NH2+]=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)NC1CCC1 ZINC000263060350 225290525 /nfs/dbraw/zinc/29/05/25/225290525.db2.gz FMMKWBMCAQNAHH-UHFFFAOYSA-N 2 2 306.841 2.155 10 30 DEEELP [NH2+]=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)NC1CCC1 ZINC000263060350 225290526 /nfs/dbraw/zinc/29/05/26/225290526.db2.gz FMMKWBMCAQNAHH-UHFFFAOYSA-N 2 2 306.841 2.155 10 30 DEEELP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515662 527612092 /nfs/dbraw/zinc/61/20/92/527612092.db2.gz FGQPFLVMGYZLCB-MRXNPFEDSA-N 2 2 314.433 2.016 10 30 DEEELP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515662 527612099 /nfs/dbraw/zinc/61/20/99/527612099.db2.gz FGQPFLVMGYZLCB-MRXNPFEDSA-N 2 2 314.433 2.016 10 30 DEEELP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000329062994 282207534 /nfs/dbraw/zinc/20/75/34/282207534.db2.gz VEWANHYZZLLCSS-KSSFIOAISA-N 2 2 321.384 2.187 10 30 DEEELP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000329062994 282207535 /nfs/dbraw/zinc/20/75/35/282207535.db2.gz VEWANHYZZLLCSS-KSSFIOAISA-N 2 2 321.384 2.187 10 30 DEEELP Cc1[nH+]ccn1CC[NH+]=C([O-])N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000329147632 539915095 /nfs/dbraw/zinc/91/50/95/539915095.db2.gz AYENDIANXCJUAP-INIZCTEOSA-N 2 2 319.453 2.056 10 30 DEEELP CC#CCC[NH2+][C@H](C[NH3+])c1ccc(OC)c(Br)c1 ZINC000158417189 197269836 /nfs/dbraw/zinc/26/98/36/197269836.db2.gz GMGWSXQHXKDFPR-CYBMUJFWSA-N 2 2 311.223 2.461 10 30 DEEELP CC#CCC[NH2+][C@H](C[NH3+])c1cc(Br)ccc1OC ZINC000158389190 197267830 /nfs/dbraw/zinc/26/78/30/197267830.db2.gz PZMXLBFLSVCOOT-CYBMUJFWSA-N 2 2 311.223 2.461 10 30 DEEELP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000051952810 402037582 /nfs/dbraw/zinc/03/75/82/402037582.db2.gz NTNAJXSRIOROOI-MRXNPFEDSA-N 2 2 305.466 2.136 10 30 DEEELP C=CCN1CC[C@H]([N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1=O ZINC000343624561 403667922 /nfs/dbraw/zinc/66/79/22/403667922.db2.gz QDMIANABQLLYBR-HNNXBMFYSA-N 2 2 316.430 2.153 10 30 DEEELP C=CCN1CC[C@H]([N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1=O ZINC000343624561 403667926 /nfs/dbraw/zinc/66/79/26/403667926.db2.gz QDMIANABQLLYBR-HNNXBMFYSA-N 2 2 316.430 2.153 10 30 DEEELP C=CCOc1ccc(C[NH+]2CCC([NH2+]CCOC)CC2)cc1 ZINC000567476517 406096669 /nfs/dbraw/zinc/09/66/69/406096669.db2.gz PTCBGUCOSXSYKZ-UHFFFAOYSA-N 2 2 304.434 2.452 10 30 DEEELP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000051952830 402037799 /nfs/dbraw/zinc/03/77/99/402037799.db2.gz BVBPAVOXHZATCZ-INIZCTEOSA-N 2 2 307.482 2.360 10 30 DEEELP C=C(C)C[C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364056438 404301668 /nfs/dbraw/zinc/30/16/68/404301668.db2.gz NFGTYKIEJKPFOS-NVXWUHKLSA-N 2 2 307.482 2.216 10 30 DEEELP C=C(C)C[C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364056438 404301676 /nfs/dbraw/zinc/30/16/76/404301676.db2.gz NFGTYKIEJKPFOS-NVXWUHKLSA-N 2 2 307.482 2.216 10 30 DEEELP C=CCOc1ccccc1C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449398348 405546351 /nfs/dbraw/zinc/54/63/51/405546351.db2.gz XYEKZGQKWCABQM-QGZVFWFLSA-N 2 2 304.434 2.188 10 30 DEEELP C=CCOc1ccccc1C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449398348 405546354 /nfs/dbraw/zinc/54/63/54/405546354.db2.gz XYEKZGQKWCABQM-QGZVFWFLSA-N 2 2 304.434 2.188 10 30 DEEELP C=C(C)C[C@H](C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000185349940 337204421 /nfs/dbraw/zinc/20/44/21/337204421.db2.gz GVFUVVYNAJBPCM-HNNXBMFYSA-N 2 2 307.482 2.264 10 30 DEEELP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374209195 527632183 /nfs/dbraw/zinc/63/21/83/527632183.db2.gz ARGOPGBDTUBWER-AWEZNQCLSA-N 2 2 302.422 2.178 10 30 DEEELP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374209195 527632190 /nfs/dbraw/zinc/63/21/90/527632190.db2.gz ARGOPGBDTUBWER-AWEZNQCLSA-N 2 2 302.422 2.178 10 30 DEEELP C[C@H]1CCC[C@H](C[NH3+])[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000070156706 190864448 /nfs/dbraw/zinc/86/44/48/190864448.db2.gz WNTUUABIQQJWPR-WCQYABFASA-N 2 2 306.435 2.150 10 30 DEEELP C[C@H]1CCC[C@H](C[NH3+])[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000070156706 190864451 /nfs/dbraw/zinc/86/44/51/190864451.db2.gz WNTUUABIQQJWPR-WCQYABFASA-N 2 2 306.435 2.150 10 30 DEEELP C=C(C)C[NH+]1CCC(Nc2cc(CC(=O)OC)cc[nH+]2)CC1 ZINC000596116016 358614832 /nfs/dbraw/zinc/61/48/32/358614832.db2.gz QWRVUYFDKIMJCA-UHFFFAOYSA-N 2 2 303.406 2.250 10 30 DEEELP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358582076 147160035 /nfs/dbraw/zinc/16/00/35/147160035.db2.gz ZRKLNANTMMFKIX-ZDUSSCGKSA-N 2 2 305.397 2.459 10 30 DEEELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(C)C2(C#N)CCCCC2)CC[N@@H+]1C ZINC000123964853 402156431 /nfs/dbraw/zinc/15/64/31/402156431.db2.gz MQYVFPZJHKPTSB-HZPDHXFCSA-N 2 2 320.481 2.086 10 30 DEEELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(C)C2(C#N)CCCCC2)CC[N@H+]1C ZINC000123964853 402156433 /nfs/dbraw/zinc/15/64/33/402156433.db2.gz MQYVFPZJHKPTSB-HZPDHXFCSA-N 2 2 320.481 2.086 10 30 DEEELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)CC[NH+]1C ZINC000123964853 402156436 /nfs/dbraw/zinc/15/64/36/402156436.db2.gz MQYVFPZJHKPTSB-HZPDHXFCSA-N 2 2 320.481 2.086 10 30 DEEELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)CC[NH+]1C ZINC000123964853 402156438 /nfs/dbraw/zinc/15/64/38/402156438.db2.gz MQYVFPZJHKPTSB-HZPDHXFCSA-N 2 2 320.481 2.086 10 30 DEEELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000178751924 402534348 /nfs/dbraw/zinc/53/43/48/402534348.db2.gz OYFLGPDOYZMTRJ-QGZVFWFLSA-N 2 2 323.400 2.166 10 30 DEEELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000178751924 402534351 /nfs/dbraw/zinc/53/43/51/402534351.db2.gz OYFLGPDOYZMTRJ-QGZVFWFLSA-N 2 2 323.400 2.166 10 30 DEEELP C=C1CC(C)(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)C1 ZINC000634194149 406049897 /nfs/dbraw/zinc/04/98/97/406049897.db2.gz LLFVVHXUQKSFFC-UHFFFAOYSA-N 2 2 300.406 2.128 10 30 DEEELP C[NH+]=C(NC1CCC1)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000262796785 526344232 /nfs/dbraw/zinc/34/42/32/526344232.db2.gz PYMGWROWDSLEJR-UHFFFAOYSA-N 2 2 301.438 2.076 10 30 DEEELP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)N[C@@H](C)C(C)C ZINC000263258015 526359506 /nfs/dbraw/zinc/35/95/06/526359506.db2.gz RLNIQUQMMFDWST-ZDUSSCGKSA-N 2 2 308.495 2.316 10 30 DEEELP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)N[C@@H](C)C(C)C ZINC000263258015 526359516 /nfs/dbraw/zinc/35/95/16/526359516.db2.gz RLNIQUQMMFDWST-ZDUSSCGKSA-N 2 2 308.495 2.316 10 30 DEEELP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246246979 526525609 /nfs/dbraw/zinc/52/56/09/526525609.db2.gz ISHVTHMPQVPYPD-CVEARBPZSA-N 2 2 304.438 2.191 10 30 DEEELP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246246979 526525613 /nfs/dbraw/zinc/52/56/13/526525613.db2.gz ISHVTHMPQVPYPD-CVEARBPZSA-N 2 2 304.438 2.191 10 30 DEEELP CC[NH+](CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)c1ccsc1 ZINC000161500914 625100785 /nfs/dbraw/zinc/10/07/85/625100785.db2.gz OLNNQMHIMCULGA-LSDHHAIUSA-N 2 2 324.494 2.214 10 30 DEEELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)o2)[C@H](C)C1 ZINC000174399967 198331068 /nfs/dbraw/zinc/33/10/68/198331068.db2.gz FSXXQLGUQPJYMN-PBHICJAKSA-N 2 2 305.422 2.378 10 30 DEEELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)o2)[C@H](C)C1 ZINC000174399967 198331070 /nfs/dbraw/zinc/33/10/70/198331070.db2.gz FSXXQLGUQPJYMN-PBHICJAKSA-N 2 2 305.422 2.378 10 30 DEEELP C[NH+]1CCN(/C=[NH+]/c2nc3ccccc3nc2N2CCCC2)CC1 ZINC000003289768 181000908 /nfs/dbraw/zinc/00/09/08/181000908.db2.gz ZERTYQHUJSLEBI-XMHGGMMESA-N 2 2 324.432 2.137 10 30 DEEELP C=CCNC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000578866212 356884218 /nfs/dbraw/zinc/88/42/18/356884218.db2.gz LRIQZHFPTCSXEH-KRWDZBQOSA-N 2 2 313.445 2.075 10 30 DEEELP C=CCNC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000578866212 356884219 /nfs/dbraw/zinc/88/42/19/356884219.db2.gz LRIQZHFPTCSXEH-KRWDZBQOSA-N 2 2 313.445 2.075 10 30 DEEELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc4ccc(C#N)cn34)CC[C@H]21 ZINC000245735122 402484309 /nfs/dbraw/zinc/48/43/09/402484309.db2.gz FOPOLLCFXDBKBA-DOTOQJQBSA-N 2 2 309.417 2.122 10 30 DEEELP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc4ccc(C#N)cn34)CC[C@H]21 ZINC000245735122 402484310 /nfs/dbraw/zinc/48/43/10/402484310.db2.gz FOPOLLCFXDBKBA-DOTOQJQBSA-N 2 2 309.417 2.122 10 30 DEEELP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc4ccc(C#N)cn34)CC[C@H]21 ZINC000245735122 402484311 /nfs/dbraw/zinc/48/43/11/402484311.db2.gz FOPOLLCFXDBKBA-DOTOQJQBSA-N 2 2 309.417 2.122 10 30 DEEELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc4ccc(C#N)cn34)CC[C@H]21 ZINC000245735122 402484312 /nfs/dbraw/zinc/48/43/12/402484312.db2.gz FOPOLLCFXDBKBA-DOTOQJQBSA-N 2 2 309.417 2.122 10 30 DEEELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(OCC#N)cc1 ZINC000181559111 402649818 /nfs/dbraw/zinc/64/98/18/402649818.db2.gz HDDBARRYIHFQBT-WBVHZDCISA-N 2 2 317.433 2.086 10 30 DEEELP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000424298215 405061030 /nfs/dbraw/zinc/06/10/30/405061030.db2.gz SDUDLDNPSQWYDM-WMZOPIPTSA-N 2 2 301.434 2.227 10 30 DEEELP C=CC[NH+]1CCC(Nc2[nH+]c(N(C)C)nc3[nH]c(C)cc32)CC1 ZINC000223901334 646505578 /nfs/dbraw/zinc/50/55/78/646505578.db2.gz SIDZMZVYYVYXAL-UHFFFAOYSA-N 2 2 314.437 2.395 10 30 DEEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000181746292 199346217 /nfs/dbraw/zinc/34/62/17/199346217.db2.gz WTZSQIXGHHOBLE-MOPGFXCFSA-N 2 2 313.445 2.416 10 30 DEEELP C[NH+](C)Cc1ccc2c(c1)[C@H](C#N)N(CCCn1cc[nH+]c1)C2=O ZINC000071680508 191005287 /nfs/dbraw/zinc/00/52/87/191005287.db2.gz DIFNWNZBPIVEPT-KRWDZBQOSA-N 2 2 323.400 2.055 10 30 DEEELP C=C[C@@H]1OCC[C@H]1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000580769015 357078531 /nfs/dbraw/zinc/07/85/31/357078531.db2.gz FEWJKYZWPAZISA-WFASDCNBSA-N 2 2 322.372 2.214 10 30 DEEELP CC#CCC[NH2+][C@@H](C[NH3+])c1cc(Br)ccc1OC ZINC000158389069 197268694 /nfs/dbraw/zinc/26/86/94/197268694.db2.gz PZMXLBFLSVCOOT-ZDUSSCGKSA-N 2 2 311.223 2.461 10 30 DEEELP C=CC[N@@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000494647106 405736038 /nfs/dbraw/zinc/73/60/38/405736038.db2.gz LDLQLFANIRFJAU-MRXNPFEDSA-N 2 2 301.434 2.010 10 30 DEEELP C=CC[N@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000494647106 405736045 /nfs/dbraw/zinc/73/60/45/405736045.db2.gz LDLQLFANIRFJAU-MRXNPFEDSA-N 2 2 301.434 2.010 10 30 DEEELP C[C@@H]1C[N@H+](C(C)(C)CNC(=[NH2+])NC2CCCCC2)C[C@H](C)O1 ZINC000263107220 225291394 /nfs/dbraw/zinc/29/13/94/225291394.db2.gz DBOYFUDGFZJXDA-OKILXGFUSA-N 2 2 310.486 2.111 10 30 DEEELP C[C@@H]1C[N@@H+](C(C)(C)CNC(=[NH2+])NC2CCCCC2)C[C@H](C)O1 ZINC000263107220 225291398 /nfs/dbraw/zinc/29/13/98/225291398.db2.gz DBOYFUDGFZJXDA-OKILXGFUSA-N 2 2 310.486 2.111 10 30 DEEELP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000051952827 337446711 /nfs/dbraw/zinc/44/67/11/337446711.db2.gz BVBPAVOXHZATCZ-MRXNPFEDSA-N 2 2 307.482 2.360 10 30 DEEELP Cc1cn2cc(NC(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)ccc2[nH+]1 ZINC000329425456 539920257 /nfs/dbraw/zinc/92/02/57/539920257.db2.gz IWIAFOKOFVZKTE-OAHLLOKOSA-N 2 2 313.405 2.358 10 30 DEEELP Cc1cn2cc(NC(=O)N3CC[N@H+]4CCCC[C@@H]4C3)ccc2[nH+]1 ZINC000329425456 539920259 /nfs/dbraw/zinc/92/02/59/539920259.db2.gz IWIAFOKOFVZKTE-OAHLLOKOSA-N 2 2 313.405 2.358 10 30 DEEELP C=CC[NH+]1CCC([NH2+][C@H]2C[C@H](OCC)C23CCOCC3)CC1 ZINC000186325427 402421851 /nfs/dbraw/zinc/42/18/51/402421851.db2.gz AVMXIFUOEFTLDS-IRXDYDNUSA-N 2 2 308.466 2.201 10 30 DEEELP C=CC[NH+]1CCC([NH2+]Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000192539392 402735784 /nfs/dbraw/zinc/73/57/84/402735784.db2.gz AESIZQKJINZFNR-UHFFFAOYSA-N 2 2 317.458 2.340 10 30 DEEELP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282048656 403117283 /nfs/dbraw/zinc/11/72/83/403117283.db2.gz LYYCJGUAEMTIFZ-HUUCEWRRSA-N 2 2 316.449 2.090 10 30 DEEELP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282048656 403117284 /nfs/dbraw/zinc/11/72/84/403117284.db2.gz LYYCJGUAEMTIFZ-HUUCEWRRSA-N 2 2 316.449 2.090 10 30 DEEELP C#CCC(C)(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000185690802 337250182 /nfs/dbraw/zinc/25/01/82/337250182.db2.gz HHFKELPDNAGBEW-UHFFFAOYSA-N 2 2 319.493 2.102 10 30 DEEELP CC[NH+]1CCC([N@H+](C)Cc2ccc(C#CCCO)s2)CC1 ZINC000043682062 183380378 /nfs/dbraw/zinc/38/03/78/183380378.db2.gz WLXUVZDFEMDYBV-UHFFFAOYSA-N 2 2 306.475 2.398 10 30 DEEELP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C#CCCO)s2)CC1 ZINC000043682062 183380381 /nfs/dbraw/zinc/38/03/81/183380381.db2.gz WLXUVZDFEMDYBV-UHFFFAOYSA-N 2 2 306.475 2.398 10 30 DEEELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCC[C@H](C#N)C2)nc[nH+]1 ZINC000192982936 533051946 /nfs/dbraw/zinc/05/19/46/533051946.db2.gz JTDKOAVOIRJFMK-RRFJBIMHSA-N 2 2 314.437 2.159 10 30 DEEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000178751912 402534546 /nfs/dbraw/zinc/53/45/46/402534546.db2.gz OYFLGPDOYZMTRJ-KRWDZBQOSA-N 2 2 323.400 2.166 10 30 DEEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000178751912 402534548 /nfs/dbraw/zinc/53/45/48/402534548.db2.gz OYFLGPDOYZMTRJ-KRWDZBQOSA-N 2 2 323.400 2.166 10 30 DEEELP C[N@H+](CCOCCC#N)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452121040 405182375 /nfs/dbraw/zinc/18/23/75/405182375.db2.gz SBDUAMORMPEPLY-UHFFFAOYSA-N 2 2 307.360 2.265 10 30 DEEELP C[N@@H+](CCOCCC#N)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452121040 405182379 /nfs/dbraw/zinc/18/23/79/405182379.db2.gz SBDUAMORMPEPLY-UHFFFAOYSA-N 2 2 307.360 2.265 10 30 DEEELP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515816 526525551 /nfs/dbraw/zinc/52/55/51/526525551.db2.gz LKGPZZUQHCHGGK-INIZCTEOSA-N 2 2 316.449 2.240 10 30 DEEELP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515816 526525553 /nfs/dbraw/zinc/52/55/53/526525553.db2.gz LKGPZZUQHCHGGK-INIZCTEOSA-N 2 2 316.449 2.240 10 30 DEEELP CCC(CC)[C@H](CNC(=[NH2+])NC1CCCCC1)[NH+]1CCOCC1 ZINC000303771955 685233642 /nfs/dbraw/zinc/23/36/42/685233642.db2.gz DCOCZDBJZHITRL-KRWDZBQOSA-N 2 2 324.513 2.360 10 30 DEEELP C=CCC[C@@H](O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195289573 201372274 /nfs/dbraw/zinc/37/22/74/201372274.db2.gz VJPSATOPQMCSNT-QZTJIDSGSA-N 2 2 303.450 2.162 10 30 DEEELP C=CCC[C@@H](O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195289573 201372277 /nfs/dbraw/zinc/37/22/77/201372277.db2.gz VJPSATOPQMCSNT-QZTJIDSGSA-N 2 2 303.450 2.162 10 30 DEEELP C=CCC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195289573 201372281 /nfs/dbraw/zinc/37/22/81/201372281.db2.gz VJPSATOPQMCSNT-QZTJIDSGSA-N 2 2 303.450 2.162 10 30 DEEELP C=CCC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195289573 201372284 /nfs/dbraw/zinc/37/22/84/201372284.db2.gz VJPSATOPQMCSNT-QZTJIDSGSA-N 2 2 303.450 2.162 10 30 DEEELP C=CCC[C@@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195289562 402840515 /nfs/dbraw/zinc/84/05/15/402840515.db2.gz VJPSATOPQMCSNT-ZWKOTPCHSA-N 2 2 303.450 2.162 10 30 DEEELP C=CCC[C@@H](O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195289562 402840518 /nfs/dbraw/zinc/84/05/18/402840518.db2.gz VJPSATOPQMCSNT-ZWKOTPCHSA-N 2 2 303.450 2.162 10 30 DEEELP C=CCC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195289562 402840521 /nfs/dbraw/zinc/84/05/21/402840521.db2.gz VJPSATOPQMCSNT-ZWKOTPCHSA-N 2 2 303.450 2.162 10 30 DEEELP C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195289562 402840524 /nfs/dbraw/zinc/84/05/24/402840524.db2.gz VJPSATOPQMCSNT-ZWKOTPCHSA-N 2 2 303.450 2.162 10 30 DEEELP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282048661 403117147 /nfs/dbraw/zinc/11/71/47/403117147.db2.gz LYYCJGUAEMTIFZ-LSDHHAIUSA-N 2 2 316.449 2.090 10 30 DEEELP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282048661 403117151 /nfs/dbraw/zinc/11/71/51/403117151.db2.gz LYYCJGUAEMTIFZ-LSDHHAIUSA-N 2 2 316.449 2.090 10 30 DEEELP [NH2+]=C(NCC1([NH+]2CCOCC2)CCCCC1)NC1CCCCC1 ZINC000263269797 225295602 /nfs/dbraw/zinc/29/56/02/225295602.db2.gz WPIUZQBZASDIKW-UHFFFAOYSA-N 2 2 322.497 2.259 10 30 DEEELP Cn1nccc1[C@H]1[C@@H](C[NH2+]Cc2ccc(C#N)cc2)CCC[N@@H+]1C ZINC000343473088 303092985 /nfs/dbraw/zinc/09/29/85/303092985.db2.gz ZIPNPBITBNLXMN-IEBWSBKVSA-N 2 2 323.444 2.464 10 30 DEEELP Cn1nccc1[C@H]1[C@@H](C[NH2+]Cc2ccc(C#N)cc2)CCC[N@H+]1C ZINC000343473088 303092988 /nfs/dbraw/zinc/09/29/88/303092988.db2.gz ZIPNPBITBNLXMN-IEBWSBKVSA-N 2 2 323.444 2.464 10 30 DEEELP N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3)n2c1 ZINC000367440027 526692347 /nfs/dbraw/zinc/69/23/47/526692347.db2.gz ZBWSDIJQMYMGDE-HNNXBMFYSA-N 2 2 306.373 2.067 10 30 DEEELP N#Cc1ccc2ncc(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3)n2c1 ZINC000367440027 526692350 /nfs/dbraw/zinc/69/23/50/526692350.db2.gz ZBWSDIJQMYMGDE-HNNXBMFYSA-N 2 2 306.373 2.067 10 30 DEEELP CC[NH+]=C(NCC[NH+]1CCSCC1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261828542 528806587 /nfs/dbraw/zinc/80/65/87/528806587.db2.gz VFKOTJPUQFHQBC-HOTGVXAUSA-N 2 2 324.538 2.123 10 30 DEEELP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2cccc(C#N)c2)CCC[N@@H+]1C ZINC000284493116 218051849 /nfs/dbraw/zinc/05/18/49/218051849.db2.gz JXJRKFAUBWUJJU-PKOBYXMFSA-N 2 2 323.444 2.464 10 30 DEEELP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2cccc(C#N)c2)CCC[N@H+]1C ZINC000284493116 218051850 /nfs/dbraw/zinc/05/18/50/218051850.db2.gz JXJRKFAUBWUJJU-PKOBYXMFSA-N 2 2 323.444 2.464 10 30 DEEELP C=C1CC(C)(C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000633459545 405659317 /nfs/dbraw/zinc/65/93/17/405659317.db2.gz VWZGABFDYVVYAS-UHFFFAOYSA-N 2 2 319.493 2.361 10 30 DEEELP C=C1CC(C)(C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000633459545 405659320 /nfs/dbraw/zinc/65/93/20/405659320.db2.gz VWZGABFDYVVYAS-UHFFFAOYSA-N 2 2 319.493 2.361 10 30 DEEELP C[NH+]=C(NCC[NH+]1CCC1)N[C@H](C)c1cc2ccccc2o1 ZINC000261937870 526355981 /nfs/dbraw/zinc/35/59/81/526355981.db2.gz WZSZKOQZYCRHGQ-CYBMUJFWSA-N 2 2 300.406 2.365 10 30 DEEELP C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610663793 361439237 /nfs/dbraw/zinc/43/92/37/361439237.db2.gz ZBCDBOPHHPYYSS-UHFFFAOYSA-N 2 2 314.393 2.034 10 30 DEEELP Cn1cc(C[NH+]2CCC([NH+](C)C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179937926 402603477 /nfs/dbraw/zinc/60/34/77/402603477.db2.gz JSRQRBFYUVPMIY-UHFFFAOYSA-N 2 2 323.444 2.485 10 30 DEEELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC000174876696 402760655 /nfs/dbraw/zinc/76/06/55/402760655.db2.gz WMDBHYKAGHICHB-IBGZPJMESA-N 2 2 312.461 2.160 10 30 DEEELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC000174876696 402760656 /nfs/dbraw/zinc/76/06/56/402760656.db2.gz WMDBHYKAGHICHB-IBGZPJMESA-N 2 2 312.461 2.160 10 30 DEEELP C=CCCCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000175965917 402845310 /nfs/dbraw/zinc/84/53/10/402845310.db2.gz ZFHYQCRDVNZSID-UHFFFAOYSA-N 2 2 307.482 2.409 10 30 DEEELP C[C@H](CCC#N)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000411572069 403898913 /nfs/dbraw/zinc/89/89/13/403898913.db2.gz QWXSCHUCLIWUSJ-AEFFLSMTSA-N 2 2 301.434 2.247 10 30 DEEELP C[C@H](CCC#N)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000411572069 403898922 /nfs/dbraw/zinc/89/89/22/403898922.db2.gz QWXSCHUCLIWUSJ-AEFFLSMTSA-N 2 2 301.434 2.247 10 30 DEEELP C[C@H](CCC#N)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000411572069 403898929 /nfs/dbraw/zinc/89/89/29/403898929.db2.gz QWXSCHUCLIWUSJ-AEFFLSMTSA-N 2 2 301.434 2.247 10 30 DEEELP C[C@H](CCC#N)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000411572069 403898936 /nfs/dbraw/zinc/89/89/36/403898936.db2.gz QWXSCHUCLIWUSJ-AEFFLSMTSA-N 2 2 301.434 2.247 10 30 DEEELP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC000635559631 406591116 /nfs/dbraw/zinc/59/11/16/406591116.db2.gz GVMLTNMFMFHEIX-BFYDXBDKSA-N 2 2 316.449 2.328 10 30 DEEELP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC000635559631 406591118 /nfs/dbraw/zinc/59/11/18/406591118.db2.gz GVMLTNMFMFHEIX-BFYDXBDKSA-N 2 2 316.449 2.328 10 30 DEEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000181746344 199346491 /nfs/dbraw/zinc/34/64/91/199346491.db2.gz WTZSQIXGHHOBLE-RBUKOAKNSA-N 2 2 313.445 2.416 10 30 DEEELP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](OCC)C23CCOCC3)CC1 ZINC000186325470 402421873 /nfs/dbraw/zinc/42/18/73/402421873.db2.gz AVMXIFUOEFTLDS-SJORKVTESA-N 2 2 308.466 2.201 10 30 DEEELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000246045907 402505487 /nfs/dbraw/zinc/50/54/87/402505487.db2.gz PJMLUGDGSUJXLF-QZTJIDSGSA-N 2 2 310.401 2.261 10 30 DEEELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000246045907 402505488 /nfs/dbraw/zinc/50/54/88/402505488.db2.gz PJMLUGDGSUJXLF-QZTJIDSGSA-N 2 2 310.401 2.261 10 30 DEEELP C=C(C)CN(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000183104206 402738953 /nfs/dbraw/zinc/73/89/53/402738953.db2.gz GSOQCIRGXPLYDR-UHFFFAOYSA-N 2 2 322.497 2.154 10 30 DEEELP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)C(C)C ZINC000494922991 405782754 /nfs/dbraw/zinc/78/27/54/405782754.db2.gz QAUORKOPCSIMLT-HOTGVXAUSA-N 2 2 307.482 2.332 10 30 DEEELP [NH2+]=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)NCC1CCC1 ZINC000189387479 225051122 /nfs/dbraw/zinc/05/11/22/225051122.db2.gz FNWPSDGTMYZVLM-UHFFFAOYSA-N 2 2 320.868 2.403 10 30 DEEELP [NH2+]=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)NCC1CCC1 ZINC000189387479 225051125 /nfs/dbraw/zinc/05/11/25/225051125.db2.gz FNWPSDGTMYZVLM-UHFFFAOYSA-N 2 2 320.868 2.403 10 30 DEEELP C=CCOc1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000305233076 340379083 /nfs/dbraw/zinc/37/90/83/340379083.db2.gz ZIWFMKWGSDEVOO-UHFFFAOYSA-N 2 2 304.434 2.140 10 30 DEEELP C=CCOc1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000305233076 340379084 /nfs/dbraw/zinc/37/90/84/340379084.db2.gz ZIWFMKWGSDEVOO-UHFFFAOYSA-N 2 2 304.434 2.140 10 30 DEEELP C[NH+]=C(NCC[NH+]1CCC1)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261986506 526356619 /nfs/dbraw/zinc/35/66/19/526356619.db2.gz QFCOICLJBKJWDG-OAHLLOKOSA-N 2 2 316.449 2.160 10 30 DEEELP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)N[C@H](C)C(C)C ZINC000263258014 526359540 /nfs/dbraw/zinc/35/95/40/526359540.db2.gz RLNIQUQMMFDWST-CYBMUJFWSA-N 2 2 308.495 2.316 10 30 DEEELP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)N[C@H](C)C(C)C ZINC000263258014 526359545 /nfs/dbraw/zinc/35/95/45/526359545.db2.gz RLNIQUQMMFDWST-CYBMUJFWSA-N 2 2 308.495 2.316 10 30 DEEELP N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000602887009 360609915 /nfs/dbraw/zinc/60/99/15/360609915.db2.gz TZKDIMLJQNCNEW-GBESFXJTSA-N 2 2 313.445 2.295 10 30 DEEELP N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000602887009 360609921 /nfs/dbraw/zinc/60/99/21/360609921.db2.gz TZKDIMLJQNCNEW-GBESFXJTSA-N 2 2 313.445 2.295 10 30 DEEELP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000606582728 361022712 /nfs/dbraw/zinc/02/27/12/361022712.db2.gz AURKVYMNCYMNCW-UHFFFAOYSA-N 2 2 313.405 2.496 10 30 DEEELP C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)CC(C)(C)C[NH3+] ZINC000093874114 193321897 /nfs/dbraw/zinc/32/18/97/193321897.db2.gz LSNOERILSQCWAK-UHFFFAOYSA-N 2 2 308.813 2.067 10 30 DEEELP C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)CC(C)(C)C[NH3+] ZINC000093874114 193321899 /nfs/dbraw/zinc/32/18/99/193321899.db2.gz LSNOERILSQCWAK-UHFFFAOYSA-N 2 2 308.813 2.067 10 30 DEEELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000249627776 145188173 /nfs/dbraw/zinc/18/81/73/145188173.db2.gz QSEWQCCYIXALMP-HNAYVOBHSA-N 2 2 323.444 2.292 10 30 DEEELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000249627776 145188174 /nfs/dbraw/zinc/18/81/74/145188174.db2.gz QSEWQCCYIXALMP-HNAYVOBHSA-N 2 2 323.444 2.292 10 30 DEEELP CC[NH+]=C(NCc1cn2c([nH+]1)CCCC2)NC[C@H]1CCCS1 ZINC000261997707 528828554 /nfs/dbraw/zinc/82/85/54/528828554.db2.gz SWMCXIPJVGJWKT-CQSZACIVSA-N 2 2 321.494 2.170 10 30 DEEELP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C)c(C(=O)OC)[nH]2)CC1 ZINC000602540572 360423877 /nfs/dbraw/zinc/42/38/77/360423877.db2.gz QHAYBRSNXGIZOF-UHFFFAOYSA-N 2 2 305.422 2.240 10 30 DEEELP [NH3+]CC#Cc1ccc(C[N@@H+]2CC[C@H](N3CCCCC3)C2)s1 ZINC000062982324 184264511 /nfs/dbraw/zinc/26/45/11/184264511.db2.gz RDWMHPNVPYSPCI-HNNXBMFYSA-N 2 2 303.475 2.119 10 30 DEEELP [NH3+]CC#Cc1ccc(C[N@H+]2CC[C@H](N3CCCCC3)C2)s1 ZINC000062982324 184264513 /nfs/dbraw/zinc/26/45/13/184264513.db2.gz RDWMHPNVPYSPCI-HNNXBMFYSA-N 2 2 303.475 2.119 10 30 DEEELP C=C1CC(C)(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000632118167 406009695 /nfs/dbraw/zinc/00/96/95/406009695.db2.gz ITPGMQUKFYKTFO-SJPCQFCGSA-N 2 2 317.477 2.112 10 30 DEEELP C=C1CC(C)(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000632118167 406009702 /nfs/dbraw/zinc/00/97/02/406009702.db2.gz ITPGMQUKFYKTFO-SJPCQFCGSA-N 2 2 317.477 2.112 10 30 DEEELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000109754646 277047090 /nfs/dbraw/zinc/04/70/90/277047090.db2.gz KYIBQDQUBIECHG-IBGZPJMESA-N 2 2 312.461 2.160 10 30 DEEELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000109754646 277047093 /nfs/dbraw/zinc/04/70/93/277047093.db2.gz KYIBQDQUBIECHG-IBGZPJMESA-N 2 2 312.461 2.160 10 30 DEEELP O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000330068540 295376247 /nfs/dbraw/zinc/37/62/47/295376247.db2.gz VLIJKHOFHHGNFT-NFOMZHRRSA-N 2 2 302.422 2.419 10 30 DEEELP C=C[C@](C)(CC)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000135149164 341232378 /nfs/dbraw/zinc/23/23/78/341232378.db2.gz HGPZMABAKIPVHZ-SUTQANCOSA-N 2 2 319.493 2.358 10 30 DEEELP C=C[C@](C)(CC)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000135149164 341232379 /nfs/dbraw/zinc/23/23/79/341232379.db2.gz HGPZMABAKIPVHZ-SUTQANCOSA-N 2 2 319.493 2.358 10 30 DEEELP C=CC(C)(C)CCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000623638353 365114172 /nfs/dbraw/zinc/11/41/72/365114172.db2.gz BDQQAGSVPOAHMX-OAHLLOKOSA-N 2 2 322.497 2.056 10 30 DEEELP C=CC(C)(C)CCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000623638353 365114174 /nfs/dbraw/zinc/11/41/74/365114174.db2.gz BDQQAGSVPOAHMX-OAHLLOKOSA-N 2 2 322.497 2.056 10 30 DEEELP CCC[N@H+](CC(=O)Nc1sccc1C#N)CC(C)(C)C[NH3+] ZINC000093891824 193323834 /nfs/dbraw/zinc/32/38/34/193323834.db2.gz VKBMOIYWEYIZIE-UHFFFAOYSA-N 2 2 308.451 2.255 10 30 DEEELP CCC[N@@H+](CC(=O)Nc1sccc1C#N)CC(C)(C)C[NH3+] ZINC000093891824 193323836 /nfs/dbraw/zinc/32/38/36/193323836.db2.gz VKBMOIYWEYIZIE-UHFFFAOYSA-N 2 2 308.451 2.255 10 30 DEEELP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000051952807 402037765 /nfs/dbraw/zinc/03/77/65/402037765.db2.gz NTNAJXSRIOROOI-INIZCTEOSA-N 2 2 305.466 2.136 10 30 DEEELP C=CCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000162588480 402425590 /nfs/dbraw/zinc/42/55/90/402425590.db2.gz RNTHIEPDCYZARB-IRXDYDNUSA-N 2 2 322.497 2.151 10 30 DEEELP C=CCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000162588480 402425591 /nfs/dbraw/zinc/42/55/91/402425591.db2.gz RNTHIEPDCYZARB-IRXDYDNUSA-N 2 2 322.497 2.151 10 30 DEEELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000246977992 402551863 /nfs/dbraw/zinc/55/18/63/402551863.db2.gz JMAGDBZRUOZNPI-JSGCOSHPSA-N 2 2 320.462 2.220 10 30 DEEELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000246977992 402551864 /nfs/dbraw/zinc/55/18/64/402551864.db2.gz JMAGDBZRUOZNPI-JSGCOSHPSA-N 2 2 320.462 2.220 10 30 DEEELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000246977992 402551865 /nfs/dbraw/zinc/55/18/65/402551865.db2.gz JMAGDBZRUOZNPI-JSGCOSHPSA-N 2 2 320.462 2.220 10 30 DEEELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000246977992 402551866 /nfs/dbraw/zinc/55/18/66/402551866.db2.gz JMAGDBZRUOZNPI-JSGCOSHPSA-N 2 2 320.462 2.220 10 30 DEEELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000246403041 402529075 /nfs/dbraw/zinc/52/90/75/402529075.db2.gz APBBGMXEMBJZPA-YOEHRIQHSA-N 2 2 314.433 2.159 10 30 DEEELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000246403041 402529078 /nfs/dbraw/zinc/52/90/78/402529078.db2.gz APBBGMXEMBJZPA-YOEHRIQHSA-N 2 2 314.433 2.159 10 30 DEEELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000246403041 402529081 /nfs/dbraw/zinc/52/90/81/402529081.db2.gz APBBGMXEMBJZPA-YOEHRIQHSA-N 2 2 314.433 2.159 10 30 DEEELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000246403041 402529082 /nfs/dbraw/zinc/52/90/82/402529082.db2.gz APBBGMXEMBJZPA-YOEHRIQHSA-N 2 2 314.433 2.159 10 30 DEEELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000175728841 402827228 /nfs/dbraw/zinc/82/72/28/402827228.db2.gz APBBGMXEMBJZPA-PBHICJAKSA-N 2 2 314.433 2.159 10 30 DEEELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000175728841 402827230 /nfs/dbraw/zinc/82/72/30/402827230.db2.gz APBBGMXEMBJZPA-PBHICJAKSA-N 2 2 314.433 2.159 10 30 DEEELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000175728841 402827232 /nfs/dbraw/zinc/82/72/32/402827232.db2.gz APBBGMXEMBJZPA-PBHICJAKSA-N 2 2 314.433 2.159 10 30 DEEELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000175728841 402827235 /nfs/dbraw/zinc/82/72/35/402827235.db2.gz APBBGMXEMBJZPA-PBHICJAKSA-N 2 2 314.433 2.159 10 30 DEEELP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000063195477 184278000 /nfs/dbraw/zinc/27/80/00/184278000.db2.gz PUSGLKJIDOJHRB-WCQYABFASA-N 2 2 306.435 2.150 10 30 DEEELP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000063195477 184278001 /nfs/dbraw/zinc/27/80/01/184278001.db2.gz PUSGLKJIDOJHRB-WCQYABFASA-N 2 2 306.435 2.150 10 30 DEEELP C=C(C)C[C@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000185946295 402391942 /nfs/dbraw/zinc/39/19/42/402391942.db2.gz ZIQANRJWPMZMCU-XNHLSEOASA-N 2 2 319.493 2.358 10 30 DEEELP C=C(C)C[C@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000185946295 402391945 /nfs/dbraw/zinc/39/19/45/402391945.db2.gz ZIQANRJWPMZMCU-XNHLSEOASA-N 2 2 319.493 2.358 10 30 DEEELP C=CC1([N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)CC[NH2+]CC1 ZINC000536954478 406281206 /nfs/dbraw/zinc/28/12/06/406281206.db2.gz NLGMKUZKSACXCH-UHFFFAOYSA-N 2 2 309.454 2.237 10 30 DEEELP C=CC1([N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)CC[NH2+]CC1 ZINC000536954478 406281210 /nfs/dbraw/zinc/28/12/10/406281210.db2.gz NLGMKUZKSACXCH-UHFFFAOYSA-N 2 2 309.454 2.237 10 30 DEEELP CC[NH+]=C(NCC[NH+]1CCC1)N1CC=C(c2ccccc2)CC1 ZINC000261806799 275802246 /nfs/dbraw/zinc/80/22/46/275802246.db2.gz WJICJELBWXFHHC-UHFFFAOYSA-N 2 2 312.461 2.447 10 30 DEEELP C=CCCCCCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000567404197 333613432 /nfs/dbraw/zinc/61/34/32/333613432.db2.gz ZXDRZRVPELRUQN-UHFFFAOYSA-N 2 2 310.486 2.058 10 30 DEEELP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374205691 526535921 /nfs/dbraw/zinc/53/59/21/526535921.db2.gz ACNYSOJTSLTEAE-CQSZACIVSA-N 2 2 304.438 2.402 10 30 DEEELP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374205691 526535924 /nfs/dbraw/zinc/53/59/24/526535924.db2.gz ACNYSOJTSLTEAE-CQSZACIVSA-N 2 2 304.438 2.402 10 30 DEEELP C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844173 368421348 /nfs/dbraw/zinc/42/13/48/368421348.db2.gz VNZCZDNHDWJZDO-ZIAGYGMSSA-N 2 2 319.474 2.430 10 30 DEEELP C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844173 368421354 /nfs/dbraw/zinc/42/13/54/368421354.db2.gz VNZCZDNHDWJZDO-ZIAGYGMSSA-N 2 2 319.474 2.430 10 30 DEEELP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000328660352 404127286 /nfs/dbraw/zinc/12/72/86/404127286.db2.gz VGANPYIZRVCIIV-LSDHHAIUSA-N 2 2 319.453 2.057 10 30 DEEELP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000328660352 404127291 /nfs/dbraw/zinc/12/72/91/404127291.db2.gz VGANPYIZRVCIIV-LSDHHAIUSA-N 2 2 319.453 2.057 10 30 DEEELP COC(=O)CCC[NH+]1CCC([NH2+]CC2CCC(C#N)CC2)CC1 ZINC000361119076 404927716 /nfs/dbraw/zinc/92/77/16/404927716.db2.gz ZTFDGRNPWAGOCK-UHFFFAOYSA-N 2 2 321.465 2.324 10 30 DEEELP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)c1ccsc1 ZINC000161501041 625100876 /nfs/dbraw/zinc/10/08/76/625100876.db2.gz OLNNQMHIMCULGA-CABCVRRESA-N 2 2 324.494 2.214 10 30 DEEELP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000328660351 404126026 /nfs/dbraw/zinc/12/60/26/404126026.db2.gz VGANPYIZRVCIIV-HUUCEWRRSA-N 2 2 319.453 2.057 10 30 DEEELP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000328660351 404126034 /nfs/dbraw/zinc/12/60/34/404126034.db2.gz VGANPYIZRVCIIV-HUUCEWRRSA-N 2 2 319.453 2.057 10 30 DEEELP C=CCCCCCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000570824088 406444130 /nfs/dbraw/zinc/44/41/30/406444130.db2.gz LKHYEOAMBORTGN-UHFFFAOYSA-N 2 2 324.513 2.400 10 30 DEEELP C=CCCCCCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000570824088 406444135 /nfs/dbraw/zinc/44/41/35/406444135.db2.gz LKHYEOAMBORTGN-UHFFFAOYSA-N 2 2 324.513 2.400 10 30 DEEELP CC[NH+]=C(NCc1cn2c([nH+]1)CCCC2)NC[C@@H]1CCCS1 ZINC000261997705 528828619 /nfs/dbraw/zinc/82/86/19/528828619.db2.gz SWMCXIPJVGJWKT-AWEZNQCLSA-N 2 2 321.494 2.170 10 30 DEEELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000131307669 401847959 /nfs/dbraw/zinc/84/79/59/401847959.db2.gz VUTPIEIBMRLCAO-AEFFLSMTSA-N 2 2 324.428 2.280 10 30 DEEELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000131307669 401847962 /nfs/dbraw/zinc/84/79/62/401847962.db2.gz VUTPIEIBMRLCAO-AEFFLSMTSA-N 2 2 324.428 2.280 10 30 DEEELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC000174876682 402760758 /nfs/dbraw/zinc/76/07/58/402760758.db2.gz WMDBHYKAGHICHB-LJQANCHMSA-N 2 2 312.461 2.160 10 30 DEEELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC000174876682 402760760 /nfs/dbraw/zinc/76/07/60/402760760.db2.gz WMDBHYKAGHICHB-LJQANCHMSA-N 2 2 312.461 2.160 10 30 DEEELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)o2)[C@H](C)C1 ZINC000174399984 198331221 /nfs/dbraw/zinc/33/12/21/198331221.db2.gz FSXXQLGUQPJYMN-RHSMWYFYSA-N 2 2 305.422 2.378 10 30 DEEELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)o2)[C@H](C)C1 ZINC000174399984 198331223 /nfs/dbraw/zinc/33/12/23/198331223.db2.gz FSXXQLGUQPJYMN-RHSMWYFYSA-N 2 2 305.422 2.378 10 30 DEEELP Cc1cc(N2CC[C@@H]([N@H+](C)Cc3ncccn3)C2)c(C#N)c(C)[nH+]1 ZINC000328623611 356463110 /nfs/dbraw/zinc/46/31/10/356463110.db2.gz BYQYBSCDRBNAAU-OAHLLOKOSA-N 2 2 322.416 2.071 10 30 DEEELP Cc1cc(N2CC[C@@H]([N@@H+](C)Cc3ncccn3)C2)c(C#N)c(C)[nH+]1 ZINC000328623611 356463116 /nfs/dbraw/zinc/46/31/16/356463116.db2.gz BYQYBSCDRBNAAU-OAHLLOKOSA-N 2 2 322.416 2.071 10 30 DEEELP C=C(C)C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)OC ZINC000602735362 360527130 /nfs/dbraw/zinc/52/71/30/360527130.db2.gz VWUNJSNGUCBHNY-INIZCTEOSA-N 2 2 303.406 2.148 10 30 DEEELP [NH3+]CC#Cc1ccc(C[N@@H+]2CC[C@@H](N3CCCCC3)C2)s1 ZINC000062982325 184264021 /nfs/dbraw/zinc/26/40/21/184264021.db2.gz RDWMHPNVPYSPCI-OAHLLOKOSA-N 2 2 303.475 2.119 10 30 DEEELP [NH3+]CC#Cc1ccc(C[N@H+]2CC[C@@H](N3CCCCC3)C2)s1 ZINC000062982325 184264022 /nfs/dbraw/zinc/26/40/22/184264022.db2.gz RDWMHPNVPYSPCI-OAHLLOKOSA-N 2 2 303.475 2.119 10 30 DEEELP N#Cc1ccc([C@@H](O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000127363868 401731182 /nfs/dbraw/zinc/73/11/82/401731182.db2.gz QXOADBLEAQMWOT-WMZOPIPTSA-N 2 2 322.412 2.421 10 30 DEEELP N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000127363868 401731183 /nfs/dbraw/zinc/73/11/83/401731183.db2.gz QXOADBLEAQMWOT-WMZOPIPTSA-N 2 2 322.412 2.421 10 30 DEEELP C[N@H+](Cc1cccc(C#N)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000171589770 402598358 /nfs/dbraw/zinc/59/83/58/402598358.db2.gz UEAFECLGAOGMOX-UHFFFAOYSA-N 2 2 323.444 2.351 10 30 DEEELP C[N@@H+](Cc1cccc(C#N)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000171589770 402598360 /nfs/dbraw/zinc/59/83/60/402598360.db2.gz UEAFECLGAOGMOX-UHFFFAOYSA-N 2 2 323.444 2.351 10 30 DEEELP CCC[NH+]1CCC(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000330243862 404599526 /nfs/dbraw/zinc/59/95/26/404599526.db2.gz KAGZEAFIBAWGNL-MRXNPFEDSA-N 2 2 319.453 2.136 10 30 DEEELP CCC[NH+]1CCC([NH+]=C([O-])N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000330243862 404599530 /nfs/dbraw/zinc/59/95/30/404599530.db2.gz KAGZEAFIBAWGNL-MRXNPFEDSA-N 2 2 319.453 2.136 10 30 DEEELP C[C@H]1C[NH+](C(C)(C)CNC(=[NH2+])NC2CCCCC2)C[C@H](C)O1 ZINC000263107216 225290583 /nfs/dbraw/zinc/29/05/83/225290583.db2.gz DBOYFUDGFZJXDA-KBPBESRZSA-N 2 2 310.486 2.111 10 30 DEEELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000081096318 267378905 /nfs/dbraw/zinc/37/89/05/267378905.db2.gz GVNPVVKNSYWIOP-RHSMWYFYSA-N 2 2 314.433 2.159 10 30 DEEELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000081096318 267378909 /nfs/dbraw/zinc/37/89/09/267378909.db2.gz GVNPVVKNSYWIOP-RHSMWYFYSA-N 2 2 314.433 2.159 10 30 DEEELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000081096318 267378911 /nfs/dbraw/zinc/37/89/11/267378911.db2.gz GVNPVVKNSYWIOP-RHSMWYFYSA-N 2 2 314.433 2.159 10 30 DEEELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000081096318 267378913 /nfs/dbraw/zinc/37/89/13/267378913.db2.gz GVNPVVKNSYWIOP-RHSMWYFYSA-N 2 2 314.433 2.159 10 30 DEEELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000120056000 195088971 /nfs/dbraw/zinc/08/89/71/195088971.db2.gz HZNQMUICJFQAKY-HNNXBMFYSA-N 2 2 318.490 2.222 10 30 DEEELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000120056000 195088972 /nfs/dbraw/zinc/08/89/72/195088972.db2.gz HZNQMUICJFQAKY-HNNXBMFYSA-N 2 2 318.490 2.222 10 30 DEEELP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc3nc(C)cc(C)n23)CC1 ZINC000156598294 197126093 /nfs/dbraw/zinc/12/60/93/197126093.db2.gz ZEBXVMUXGSVKCY-UHFFFAOYSA-N 2 2 313.449 2.476 10 30 DEEELP C#CCOc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000151278301 402027441 /nfs/dbraw/zinc/02/74/41/402027441.db2.gz UJWWFEIZLGKCLA-WMZOPIPTSA-N 2 2 316.445 2.196 10 30 DEEELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc3ccc(C#N)cn23)[C@@H](C)C1 ZINC000245726212 402483643 /nfs/dbraw/zinc/48/36/43/402483643.db2.gz IUFOOFLYCMMNOM-YOEHRIQHSA-N 2 2 311.433 2.368 10 30 DEEELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc3ccc(C#N)cn23)[C@@H](C)C1 ZINC000245726212 402483646 /nfs/dbraw/zinc/48/36/46/402483646.db2.gz IUFOOFLYCMMNOM-YOEHRIQHSA-N 2 2 311.433 2.368 10 30 DEEELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc3ccc(C#N)cn23)[C@@H](C)C1 ZINC000245726212 402483649 /nfs/dbraw/zinc/48/36/49/402483649.db2.gz IUFOOFLYCMMNOM-YOEHRIQHSA-N 2 2 311.433 2.368 10 30 DEEELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc3ccc(C#N)cn23)[C@@H](C)C1 ZINC000245726212 402483651 /nfs/dbraw/zinc/48/36/51/402483651.db2.gz IUFOOFLYCMMNOM-YOEHRIQHSA-N 2 2 311.433 2.368 10 30 DEEELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000175724862 402826552 /nfs/dbraw/zinc/82/65/52/402826552.db2.gz JMAGDBZRUOZNPI-TZMCWYRMSA-N 2 2 320.462 2.220 10 30 DEEELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000175724862 402826553 /nfs/dbraw/zinc/82/65/53/402826553.db2.gz JMAGDBZRUOZNPI-TZMCWYRMSA-N 2 2 320.462 2.220 10 30 DEEELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000175724862 402826556 /nfs/dbraw/zinc/82/65/56/402826556.db2.gz JMAGDBZRUOZNPI-TZMCWYRMSA-N 2 2 320.462 2.220 10 30 DEEELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000175724862 402826557 /nfs/dbraw/zinc/82/65/57/402826557.db2.gz JMAGDBZRUOZNPI-TZMCWYRMSA-N 2 2 320.462 2.220 10 30 DEEELP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282048646 403117291 /nfs/dbraw/zinc/11/72/91/403117291.db2.gz LYYCJGUAEMTIFZ-CABCVRRESA-N 2 2 316.449 2.090 10 30 DEEELP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282048646 403117292 /nfs/dbraw/zinc/11/72/92/403117292.db2.gz LYYCJGUAEMTIFZ-CABCVRRESA-N 2 2 316.449 2.090 10 30 DEEELP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000424295203 405061409 /nfs/dbraw/zinc/06/14/09/405061409.db2.gz MKNXSRHQHJWBLO-DKKFBQAASA-N 2 2 315.461 2.473 10 30 DEEELP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000424295203 405061414 /nfs/dbraw/zinc/06/14/14/405061414.db2.gz MKNXSRHQHJWBLO-DKKFBQAASA-N 2 2 315.461 2.473 10 30 DEEELP C[NH+](C)[C@@H](CNC(=[NH2+])NCCc1cccs1)c1ccccc1 ZINC000303693872 685232989 /nfs/dbraw/zinc/23/29/89/685232989.db2.gz CKWCCSOKUVOQID-INIZCTEOSA-N 2 2 316.474 2.498 10 30 DEEELP C=CCCCN(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000125621249 402242411 /nfs/dbraw/zinc/24/24/11/402242411.db2.gz VTFCNILWMXBHQG-UHFFFAOYSA-N 2 2 322.497 2.153 10 30 DEEELP C=C(C)C[N@@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000351067491 404508861 /nfs/dbraw/zinc/50/88/61/404508861.db2.gz VUWGYWVPVXIDLV-QGZVFWFLSA-N 2 2 315.461 2.400 10 30 DEEELP C=C(C)C[N@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000351067491 404508868 /nfs/dbraw/zinc/50/88/68/404508868.db2.gz VUWGYWVPVXIDLV-QGZVFWFLSA-N 2 2 315.461 2.400 10 30 DEEELP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@@H]1CCC(=O)NC1(C)C)C(C)C ZINC000494922999 405783637 /nfs/dbraw/zinc/78/36/37/405783637.db2.gz QAUORKOPCSIMLT-JKSUJKDBSA-N 2 2 307.482 2.332 10 30 DEEELP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC000635559634 406590543 /nfs/dbraw/zinc/59/05/43/406590543.db2.gz GVMLTNMFMFHEIX-INMHGKMJSA-N 2 2 316.449 2.328 10 30 DEEELP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC000635559634 406590544 /nfs/dbraw/zinc/59/05/44/406590544.db2.gz GVMLTNMFMFHEIX-INMHGKMJSA-N 2 2 316.449 2.328 10 30 DEEELP CC[C@]1(C)CCN(C(NCc2cn3c([nH+]2)CCCC3)=[NH+]C)C1 ZINC000261838606 288441206 /nfs/dbraw/zinc/44/12/06/288441206.db2.gz WIWCIGLYFAPAOV-QGZVFWFLSA-N 2 2 303.454 2.417 10 30 DEEELP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246515943 527612157 /nfs/dbraw/zinc/61/21/57/527612157.db2.gz IMTSUPOTDXSFNU-WMZOPIPTSA-N 2 2 317.477 2.136 10 30 DEEELP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246515943 527612167 /nfs/dbraw/zinc/61/21/67/527612167.db2.gz IMTSUPOTDXSFNU-WMZOPIPTSA-N 2 2 317.477 2.136 10 30 DEEELP C=CCN(CC=C)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246515943 527612171 /nfs/dbraw/zinc/61/21/71/527612171.db2.gz IMTSUPOTDXSFNU-WMZOPIPTSA-N 2 2 317.477 2.136 10 30 DEEELP C=CCN(CC=C)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246515943 527612175 /nfs/dbraw/zinc/61/21/75/527612175.db2.gz IMTSUPOTDXSFNU-WMZOPIPTSA-N 2 2 317.477 2.136 10 30 DEEELP C=CC[C@@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074767907 185016747 /nfs/dbraw/zinc/01/67/47/185016747.db2.gz PPZRMGIOIGZMHW-MRXNPFEDSA-N 2 2 322.497 2.201 10 30 DEEELP C[C@H]1C[C@H]([NH+](C)CC(=O)N(C)C2(C#N)CCCCC2)CC[N@@H+]1C ZINC000123965053 291125205 /nfs/dbraw/zinc/12/52/05/291125205.db2.gz MQYVFPZJHKPTSB-JKSUJKDBSA-N 2 2 320.481 2.086 10 30 DEEELP C[C@H]1C[C@H]([NH+](C)CC(=O)N(C)C2(C#N)CCCCC2)CC[N@H+]1C ZINC000123965053 291125206 /nfs/dbraw/zinc/12/52/06/291125206.db2.gz MQYVFPZJHKPTSB-JKSUJKDBSA-N 2 2 320.481 2.086 10 30 DEEELP C[C@H]1C[C@H]([N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)CC[NH+]1C ZINC000123965053 291125207 /nfs/dbraw/zinc/12/52/07/291125207.db2.gz MQYVFPZJHKPTSB-JKSUJKDBSA-N 2 2 320.481 2.086 10 30 DEEELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)CC[NH+]1C ZINC000123965053 291125208 /nfs/dbraw/zinc/12/52/08/291125208.db2.gz MQYVFPZJHKPTSB-JKSUJKDBSA-N 2 2 320.481 2.086 10 30 DEEELP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000063168862 184275865 /nfs/dbraw/zinc/27/58/65/184275865.db2.gz NITKNPBBWJCFGV-ZDUSSCGKSA-N 2 2 306.435 2.022 10 30 DEEELP C[NH2+]C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000063168862 184275866 /nfs/dbraw/zinc/27/58/66/184275866.db2.gz NITKNPBBWJCFGV-ZDUSSCGKSA-N 2 2 306.435 2.022 10 30 DEEELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(C)C2(C#N)CCCCC2)CC[N@@H+]1C ZINC000123965287 402156402 /nfs/dbraw/zinc/15/64/02/402156402.db2.gz MQYVFPZJHKPTSB-CVEARBPZSA-N 2 2 320.481 2.086 10 30 DEEELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(C)C2(C#N)CCCCC2)CC[N@H+]1C ZINC000123965287 402156405 /nfs/dbraw/zinc/15/64/05/402156405.db2.gz MQYVFPZJHKPTSB-CVEARBPZSA-N 2 2 320.481 2.086 10 30 DEEELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)CC[NH+]1C ZINC000123965287 402156407 /nfs/dbraw/zinc/15/64/07/402156407.db2.gz MQYVFPZJHKPTSB-CVEARBPZSA-N 2 2 320.481 2.086 10 30 DEEELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)CC[NH+]1C ZINC000123965287 402156409 /nfs/dbraw/zinc/15/64/09/402156409.db2.gz MQYVFPZJHKPTSB-CVEARBPZSA-N 2 2 320.481 2.086 10 30 DEEELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CCC[C@@H](C#N)C2)nc[nH+]1 ZINC000248877078 341389126 /nfs/dbraw/zinc/38/91/26/341389126.db2.gz JTDKOAVOIRJFMK-QLFBSQMISA-N 2 2 314.437 2.159 10 30 DEEELP CC(C)(C)NC(=[NH2+])NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000189386991 526282616 /nfs/dbraw/zinc/28/26/16/526282616.db2.gz GAHPJKGSKCBFCE-UHFFFAOYSA-N 2 2 308.857 2.401 10 30 DEEELP CC(C)(C)NC(=[NH2+])NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000189386991 526282618 /nfs/dbraw/zinc/28/26/18/526282618.db2.gz GAHPJKGSKCBFCE-UHFFFAOYSA-N 2 2 308.857 2.401 10 30 DEEELP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(C(=O)OCC)n2)CC1 ZINC000600135160 359658204 /nfs/dbraw/zinc/65/82/04/359658204.db2.gz UONPWZIVAVRZCC-UHFFFAOYSA-N 2 2 317.433 2.388 10 30 DEEELP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093742117 193298042 /nfs/dbraw/zinc/29/80/42/193298042.db2.gz HSPRPGCHFWRSQY-INIZCTEOSA-N 2 2 311.433 2.370 10 30 DEEELP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093742117 193298043 /nfs/dbraw/zinc/29/80/43/193298043.db2.gz HSPRPGCHFWRSQY-INIZCTEOSA-N 2 2 311.433 2.370 10 30 DEEELP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093742117 193298045 /nfs/dbraw/zinc/29/80/45/193298045.db2.gz HSPRPGCHFWRSQY-INIZCTEOSA-N 2 2 311.433 2.370 10 30 DEEELP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093742117 193298047 /nfs/dbraw/zinc/29/80/47/193298047.db2.gz HSPRPGCHFWRSQY-INIZCTEOSA-N 2 2 311.433 2.370 10 30 DEEELP CCC[N@H+](C)C[C@@H]1CCN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000093742117 193298048 /nfs/dbraw/zinc/29/80/48/193298048.db2.gz HSPRPGCHFWRSQY-INIZCTEOSA-N 2 2 311.433 2.370 10 30 DEEELP CCC[N@@H+](C)C[C@@H]1CCN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000093742117 193298050 /nfs/dbraw/zinc/29/80/50/193298050.db2.gz HSPRPGCHFWRSQY-INIZCTEOSA-N 2 2 311.433 2.370 10 30 DEEELP C=CCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246904021 402549196 /nfs/dbraw/zinc/54/91/96/402549196.db2.gz RNTHIEPDCYZARB-IAGOWNOFSA-N 2 2 322.497 2.151 10 30 DEEELP C=CCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246904021 402549199 /nfs/dbraw/zinc/54/91/99/402549199.db2.gz RNTHIEPDCYZARB-IAGOWNOFSA-N 2 2 322.497 2.151 10 30 DEEELP COc1ccc(NC(=[NH2+])NCCc2cn(C)c[nH+]2)cc1Cl ZINC000263083862 533988582 /nfs/dbraw/zinc/98/85/82/533988582.db2.gz IAODFZRUNLBYMD-UHFFFAOYSA-N 2 2 307.785 2.051 10 30 DEEELP C=CCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000162588355 402425439 /nfs/dbraw/zinc/42/54/39/402425439.db2.gz RNTHIEPDCYZARB-SJORKVTESA-N 2 2 322.497 2.151 10 30 DEEELP C=CCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000162588355 402425443 /nfs/dbraw/zinc/42/54/43/402425443.db2.gz RNTHIEPDCYZARB-SJORKVTESA-N 2 2 322.497 2.151 10 30 DEEELP C=CCOc1ccccc1C[NH+]1CCC([NH2+]CCOC)CC1 ZINC000571528150 333814129 /nfs/dbraw/zinc/81/41/29/333814129.db2.gz UEUOMRCPRNLNHD-UHFFFAOYSA-N 2 2 304.434 2.452 10 30 DEEELP C#CCCOc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000113327010 336400632 /nfs/dbraw/zinc/40/06/32/336400632.db2.gz PYCTUIKNEXENLX-SFHVURJKSA-N 2 2 316.445 2.025 10 30 DEEELP