smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCN1CCOCC1(C)C ZINC000329413543 381598578 /nfs/dbraw/zinc/59/85/78/381598578.db2.gz CJOHPOYRHUCREL-AWEZNQCLSA-N 2 1 327.473 -0.153 20 30 EBEDMP CN1CCN(C)[C@@H](CNC(=O)NCCN2CCOCC2(C)C)C1 ZINC000329413543 381598588 /nfs/dbraw/zinc/59/85/88/381598588.db2.gz CJOHPOYRHUCREL-AWEZNQCLSA-N 2 1 327.473 -0.153 20 30 EBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000672355934 546094427 /nfs/dbraw/zinc/09/44/27/546094427.db2.gz DISZSZNQWBKSKL-ZFWWWQNUSA-N 2 1 338.452 -0.412 20 30 EBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000672355934 546094429 /nfs/dbraw/zinc/09/44/29/546094429.db2.gz DISZSZNQWBKSKL-ZFWWWQNUSA-N 2 1 338.452 -0.412 20 30 EBEDMP C#CC[N@H+](C)CCCNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000854094537 584234493 /nfs/dbraw/zinc/23/44/93/584234493.db2.gz UWXWVWYUQTUAIQ-UHFFFAOYSA-N 2 1 325.457 -0.397 20 30 EBEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000867966783 584420782 /nfs/dbraw/zinc/42/07/82/584420782.db2.gz UFBZSMYBUWBOKJ-MRXNPFEDSA-N 2 1 327.388 -0.707 20 30 EBEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000868389278 584427628 /nfs/dbraw/zinc/42/76/28/584427628.db2.gz OWXPLXSIHIINSU-CQSZACIVSA-N 2 1 326.441 -0.601 20 30 EBEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000876767811 584522836 /nfs/dbraw/zinc/52/28/36/584522836.db2.gz CPVXGGCOLJKPIP-KGLIPLIRSA-N 2 1 330.860 -0.021 20 30 EBEDMP CC1(C)CN(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)CCO1 ZINC000170912870 649979229 /nfs/dbraw/zinc/97/92/29/649979229.db2.gz KNZLNEBBTYAVRX-UHFFFAOYSA-N 2 1 327.473 -0.276 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnnn3C)C2)CC1 ZINC000939813364 653052689 /nfs/dbraw/zinc/05/26/89/653052689.db2.gz ZUJKDKXAKSHOBM-UKRRQHHQSA-N 2 1 345.451 -0.508 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]32)CC1 ZINC000962771631 723321537 /nfs/dbraw/zinc/32/15/37/723321537.db2.gz HLHSNZWTMBPRJR-QMCVQRASSA-N 2 1 346.475 -0.145 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3C)C2)CC1 ZINC000970791944 725328712 /nfs/dbraw/zinc/32/87/12/725328712.db2.gz DIWBUGGGNVTVNJ-OAHLLOKOSA-N 2 1 330.436 -0.149 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3nnnn3C)C2)CC1 ZINC000970791841 725328778 /nfs/dbraw/zinc/32/87/78/725328778.db2.gz AHCWNSYLJHNPRO-UKRRQHHQSA-N 2 1 345.451 -0.193 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCN2CCNC2=O)C1 ZINC000971703628 725431787 /nfs/dbraw/zinc/43/17/87/725431787.db2.gz JVMHTHAAXDYGRX-CVEARBPZSA-N 2 1 347.463 -0.358 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCN2CCNC2=O)C1 ZINC000971703628 725431789 /nfs/dbraw/zinc/43/17/89/725431789.db2.gz JVMHTHAAXDYGRX-CVEARBPZSA-N 2 1 347.463 -0.358 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCN2CCNC2=O)C1 ZINC000971703628 725431790 /nfs/dbraw/zinc/43/17/90/725431790.db2.gz JVMHTHAAXDYGRX-CVEARBPZSA-N 2 1 347.463 -0.358 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCN2CCNC2=O)C1 ZINC000971703628 725431792 /nfs/dbraw/zinc/43/17/92/725431792.db2.gz JVMHTHAAXDYGRX-CVEARBPZSA-N 2 1 347.463 -0.358 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCn2cncn2)C1 ZINC000971703563 725431954 /nfs/dbraw/zinc/43/19/54/725431954.db2.gz HXPRWESDIYOLBI-HOTGVXAUSA-N 2 1 330.436 -0.092 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCn2cncn2)C1 ZINC000971703563 725431955 /nfs/dbraw/zinc/43/19/55/725431955.db2.gz HXPRWESDIYOLBI-HOTGVXAUSA-N 2 1 330.436 -0.092 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCn2cncn2)C1 ZINC000971703563 725431956 /nfs/dbraw/zinc/43/19/56/725431956.db2.gz HXPRWESDIYOLBI-HOTGVXAUSA-N 2 1 330.436 -0.092 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCn2cncn2)C1 ZINC000971703563 725431957 /nfs/dbraw/zinc/43/19/57/725431957.db2.gz HXPRWESDIYOLBI-HOTGVXAUSA-N 2 1 330.436 -0.092 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001051659794 735299190 /nfs/dbraw/zinc/29/91/90/735299190.db2.gz CKNRIZPLTNJHNC-IRXDYDNUSA-N 2 1 345.447 -0.165 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001051659794 735299191 /nfs/dbraw/zinc/29/91/91/735299191.db2.gz CKNRIZPLTNJHNC-IRXDYDNUSA-N 2 1 345.447 -0.165 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC000993858895 725954794 /nfs/dbraw/zinc/95/47/94/725954794.db2.gz IUOFHMMSSLEKBC-RHSMWYFYSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000994750488 726071452 /nfs/dbraw/zinc/07/14/52/726071452.db2.gz IUXAZXVAOATFGY-SJORKVTESA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000994750488 726071455 /nfs/dbraw/zinc/07/14/55/726071455.db2.gz IUXAZXVAOATFGY-SJORKVTESA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC000999903479 726540760 /nfs/dbraw/zinc/54/07/60/726540760.db2.gz MCEBNHAMUMLPRR-RHSMWYFYSA-N 2 1 346.475 -0.144 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC2CC[NH+]([C@@H]3CCNC3=O)CC2)CC1 ZINC001004208163 726703396 /nfs/dbraw/zinc/70/33/96/726703396.db2.gz NQGOEGVDRJOECG-MRXNPFEDSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C2)CC1 ZINC001016332794 728457485 /nfs/dbraw/zinc/45/74/85/728457485.db2.gz SLBWFEDWHVRQAW-HOTGVXAUSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)CC1 ZINC001016332794 728457488 /nfs/dbraw/zinc/45/74/88/728457488.db2.gz SLBWFEDWHVRQAW-HOTGVXAUSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001020250913 729114696 /nfs/dbraw/zinc/11/46/96/729114696.db2.gz WOFGFKDYFYEQML-KKUMJFAQSA-N 2 1 333.436 -0.654 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001020250913 729114699 /nfs/dbraw/zinc/11/46/99/729114699.db2.gz WOFGFKDYFYEQML-KKUMJFAQSA-N 2 1 333.436 -0.654 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)c3nnnn3C)C2)CC1 ZINC001021089977 729281868 /nfs/dbraw/zinc/28/18/68/729281868.db2.gz KERQSGFEZYQAEB-QEJZJMRPSA-N 2 1 345.451 -0.147 20 30 EBEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001025814001 730095056 /nfs/dbraw/zinc/09/50/56/730095056.db2.gz AFTISLNXXDYEKI-LEOABGAYSA-N 2 1 330.432 -0.591 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001025814001 730095058 /nfs/dbraw/zinc/09/50/58/730095058.db2.gz AFTISLNXXDYEKI-LEOABGAYSA-N 2 1 330.432 -0.591 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001025814001 730095061 /nfs/dbraw/zinc/09/50/61/730095061.db2.gz AFTISLNXXDYEKI-LEOABGAYSA-N 2 1 330.432 -0.591 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001025814001 730095062 /nfs/dbraw/zinc/09/50/62/730095062.db2.gz AFTISLNXXDYEKI-LEOABGAYSA-N 2 1 330.432 -0.591 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001025814001 730095065 /nfs/dbraw/zinc/09/50/65/730095065.db2.gz AFTISLNXXDYEKI-LEOABGAYSA-N 2 1 330.432 -0.591 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001026893939 730168469 /nfs/dbraw/zinc/16/84/69/730168469.db2.gz RHUIYWSVQOAWHB-KGLIPLIRSA-N 2 1 331.424 -0.754 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001026893939 730168471 /nfs/dbraw/zinc/16/84/71/730168471.db2.gz RHUIYWSVQOAWHB-KGLIPLIRSA-N 2 1 331.424 -0.754 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]([C@H](C)C(=O)NC)C2)CC1 ZINC001029004517 730382838 /nfs/dbraw/zinc/38/28/38/730382838.db2.gz YFPVCPZXXLCMFO-HUUCEWRRSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001030019211 730535529 /nfs/dbraw/zinc/53/55/29/730535529.db2.gz RSHQHNMQFYPRDW-XHSDSOJGSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001030019211 730535531 /nfs/dbraw/zinc/53/55/31/730535531.db2.gz RSHQHNMQFYPRDW-XHSDSOJGSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCN(C)C2=O)CC1 ZINC001032800412 730934397 /nfs/dbraw/zinc/93/43/97/730934397.db2.gz IBMPDRLMRZHNSI-ULQDDVLXSA-N 2 1 344.459 -0.153 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCN(C)C2=O)CC1 ZINC001032800412 730934399 /nfs/dbraw/zinc/93/43/99/730934399.db2.gz IBMPDRLMRZHNSI-ULQDDVLXSA-N 2 1 344.459 -0.153 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001034962292 731169074 /nfs/dbraw/zinc/16/90/74/731169074.db2.gz HXASNSYGIIYGNR-PMPSAXMXSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001034962292 731169075 /nfs/dbraw/zinc/16/90/75/731169075.db2.gz HXASNSYGIIYGNR-PMPSAXMXSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)COC3CC[NH+](C)CC3)CC2)C1 ZINC001046075489 733850445 /nfs/dbraw/zinc/85/04/45/733850445.db2.gz UTXSGQPANZWMEE-QGZVFWFLSA-N 2 1 348.491 -0.051 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001046849517 734040959 /nfs/dbraw/zinc/04/09/59/734040959.db2.gz GFPMTDHUJWHVFP-CRAIPNDOSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001046849517 734040961 /nfs/dbraw/zinc/04/09/61/734040961.db2.gz GFPMTDHUJWHVFP-CRAIPNDOSA-N 2 1 332.448 -0.199 20 30 EBEDMP C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001055629683 736414622 /nfs/dbraw/zinc/41/46/22/736414622.db2.gz HKLRTKZUTINCJH-ZFWWWQNUSA-N 2 1 335.452 -0.063 20 30 EBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001077128738 742745821 /nfs/dbraw/zinc/74/58/21/742745821.db2.gz CFZYKFLTTVKZOT-BRWVUGGUSA-N 2 1 335.448 -0.186 20 30 EBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001077128738 742745823 /nfs/dbraw/zinc/74/58/23/742745823.db2.gz CFZYKFLTTVKZOT-BRWVUGGUSA-N 2 1 335.448 -0.186 20 30 EBEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001077128738 742745826 /nfs/dbraw/zinc/74/58/26/742745826.db2.gz CFZYKFLTTVKZOT-BRWVUGGUSA-N 2 1 335.448 -0.186 20 30 EBEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001077128738 742745827 /nfs/dbraw/zinc/74/58/27/742745827.db2.gz CFZYKFLTTVKZOT-BRWVUGGUSA-N 2 1 335.448 -0.186 20 30 EBEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077417915 742964647 /nfs/dbraw/zinc/96/46/47/742964647.db2.gz DLUQLUJOVRNHBY-DSZOFWSKSA-N 2 1 335.448 -0.023 20 30 EBEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001077417915 742964651 /nfs/dbraw/zinc/96/46/51/742964651.db2.gz DLUQLUJOVRNHBY-DSZOFWSKSA-N 2 1 335.448 -0.023 20 30 EBEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001077417915 742964657 /nfs/dbraw/zinc/96/46/57/742964657.db2.gz DLUQLUJOVRNHBY-DSZOFWSKSA-N 2 1 335.448 -0.023 20 30 EBEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184561 810312345 /nfs/dbraw/zinc/31/23/45/810312345.db2.gz JMPPGNVLPZJHEM-QCZOYZIOSA-N 2 1 347.459 -0.064 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CC(N)=O)C2)CC1 ZINC001036902389 811308053 /nfs/dbraw/zinc/30/80/53/811308053.db2.gz JXNZHSLLYWWJLN-HZPDHXFCSA-N 2 1 332.448 -0.260 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001224558549 811766233 /nfs/dbraw/zinc/76/62/33/811766233.db2.gz HLJCLXQSONLQTA-HNNXBMFYSA-N 2 1 334.464 -0.094 20 30 EBEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNS(=O)(=O)C1CC[NH2+]CC1 ZINC001238669869 812531295 /nfs/dbraw/zinc/53/12/95/812531295.db2.gz APFOHTXFCMGQTK-ZDUSSCGKSA-N 2 1 333.454 -0.115 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001265422659 813321853 /nfs/dbraw/zinc/32/18/53/813321853.db2.gz VJMRQRJAJHDXHE-STQMWFEESA-N 2 1 337.424 -0.717 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001265542957 813336688 /nfs/dbraw/zinc/33/66/88/813336688.db2.gz AZZXGKMPDOOYPU-JONQDZQNSA-N 2 1 330.432 -0.541 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001265542957 813336693 /nfs/dbraw/zinc/33/66/93/813336693.db2.gz AZZXGKMPDOOYPU-JONQDZQNSA-N 2 1 330.432 -0.541 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001265594414 813347883 /nfs/dbraw/zinc/34/78/83/813347883.db2.gz ATIRFOVBIVAXMQ-AWEZNQCLSA-N 2 1 333.436 -0.450 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001265594414 813347890 /nfs/dbraw/zinc/34/78/90/813347890.db2.gz ATIRFOVBIVAXMQ-AWEZNQCLSA-N 2 1 333.436 -0.450 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCCN1C(=O)CNC1=O ZINC001266285019 813512281 /nfs/dbraw/zinc/51/22/81/813512281.db2.gz NCPKTSCHSPTDJQ-AWEZNQCLSA-N 2 1 349.435 -0.926 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCCN1C(=O)CNC1=O ZINC001266285019 813512287 /nfs/dbraw/zinc/51/22/87/813512287.db2.gz NCPKTSCHSPTDJQ-AWEZNQCLSA-N 2 1 349.435 -0.926 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCCN1C(=O)CNC1=O ZINC001266285019 813512293 /nfs/dbraw/zinc/51/22/93/813512293.db2.gz NCPKTSCHSPTDJQ-AWEZNQCLSA-N 2 1 349.435 -0.926 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCCN1C(=O)CNC1=O ZINC001266285019 813512298 /nfs/dbraw/zinc/51/22/98/813512298.db2.gz NCPKTSCHSPTDJQ-AWEZNQCLSA-N 2 1 349.435 -0.926 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001267045866 813745092 /nfs/dbraw/zinc/74/50/92/813745092.db2.gz VRFSGQFWFQBNNT-GJZGRUSLSA-N 2 1 341.477 -0.433 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001267045866 813745098 /nfs/dbraw/zinc/74/50/98/813745098.db2.gz VRFSGQFWFQBNNT-GJZGRUSLSA-N 2 1 341.477 -0.433 20 30 EBEDMP C[NH+](C)CC1(C(=O)N2CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C2)CC1 ZINC001267587664 813942899 /nfs/dbraw/zinc/94/28/99/813942899.db2.gz BOJOEPCKSYPRGM-AWEZNQCLSA-N 2 1 335.452 -0.252 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001267922825 814070123 /nfs/dbraw/zinc/07/01/23/814070123.db2.gz HQFNGVHGUPHZGX-KKUMJFAQSA-N 2 1 338.452 -0.364 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001267922825 814070127 /nfs/dbraw/zinc/07/01/27/814070127.db2.gz HQFNGVHGUPHZGX-KKUMJFAQSA-N 2 1 338.452 -0.364 20 30 EBEDMP C[NH+](C)CCCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC(=O)NCC#N)C1 ZINC001268269123 814168910 /nfs/dbraw/zinc/16/89/10/814168910.db2.gz 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C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001084090304 815827525 /nfs/dbraw/zinc/82/75/25/815827525.db2.gz UBXUOERZWWYUHU-JQHSSLGASA-N 2 1 349.475 -0.081 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001086109748 816232887 /nfs/dbraw/zinc/23/28/87/816232887.db2.gz CGMQIWHDOQFEIO-FZKCQIBNSA-N 2 1 332.448 -0.201 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001086109748 816232893 /nfs/dbraw/zinc/23/28/93/816232893.db2.gz CGMQIWHDOQFEIO-FZKCQIBNSA-N 2 1 332.448 -0.201 20 30 EBEDMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[NH+](CC(=O)NCC#N)C[C@@H]3C2)C1 ZINC001271880239 816243076 /nfs/dbraw/zinc/24/30/76/816243076.db2.gz KOCUBQVASZDABQ-SOUVJXGZSA-N 2 1 333.436 -0.642 20 30 EBEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CCN2CC(=O)NCC#N ZINC001272015660 816291357 /nfs/dbraw/zinc/29/13/57/816291357.db2.gz KKRGTXADSYXXSQ-RBSFLKMASA-N 2 1 333.436 -0.214 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001086390473 816316780 /nfs/dbraw/zinc/31/67/80/816316780.db2.gz WGHJROPVVNOFCK-JYJNAYRXSA-N 2 1 330.436 -0.140 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001086390473 816316787 /nfs/dbraw/zinc/31/67/87/816316787.db2.gz WGHJROPVVNOFCK-JYJNAYRXSA-N 2 1 330.436 -0.140 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]Cc2nncs2)CC1 ZINC001272582914 816484839 /nfs/dbraw/zinc/48/48/39/816484839.db2.gz DALZGNFZAQZGLZ-CYBMUJFWSA-N 2 1 337.449 -0.550 20 30 EBEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CC#CCOC)C2)C1 ZINC001273359115 816653571 /nfs/dbraw/zinc/65/35/71/816653571.db2.gz SKPRPOAUUFMHGX-JKSUJKDBSA-N 2 1 339.436 -0.826 20 30 EBEDMP CC[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CC#CCOC)C2)C1 ZINC001273359115 816653572 /nfs/dbraw/zinc/65/35/72/816653572.db2.gz SKPRPOAUUFMHGX-JKSUJKDBSA-N 2 1 339.436 -0.826 20 30 EBEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CN(C)CCO1 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/nfs/dbraw/zinc/25/33/40/817253340.db2.gz FVQFXXSTCJKGGV-KGLIPLIRSA-N 2 1 344.481 -0.930 20 30 EBEDMP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCNS(C)(=O)=O ZINC001275573647 817253347 /nfs/dbraw/zinc/25/33/47/817253347.db2.gz FVQFXXSTCJKGGV-KGLIPLIRSA-N 2 1 344.481 -0.930 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@H](O)COC)C[C@H]21 ZINC001276679310 817451410 /nfs/dbraw/zinc/45/14/10/817451410.db2.gz UWNBGQLQOVSPTN-VIQHNZTISA-N 2 1 335.448 -0.615 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21 ZINC001276679310 817451411 /nfs/dbraw/zinc/45/14/11/817451411.db2.gz UWNBGQLQOVSPTN-VIQHNZTISA-N 2 1 335.448 -0.615 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](C[C@H](O)COC)C[C@H]21 ZINC001276679310 817451412 /nfs/dbraw/zinc/45/14/12/817451412.db2.gz UWNBGQLQOVSPTN-VIQHNZTISA-N 2 1 335.448 -0.615 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](C[C@H](O)COC)C[C@H]21 ZINC001276679310 817451414 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YRMIYIJSKYZGPU-HOTGVXAUSA-N 2 1 347.463 -0.310 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCN1CCNC1=O ZINC001277875431 817650943 /nfs/dbraw/zinc/65/09/43/817650943.db2.gz YRMIYIJSKYZGPU-HOTGVXAUSA-N 2 1 347.463 -0.310 20 30 EBEDMP C[NH+]1CCC(C(=O)NC2(C)CC[NH+](CC(=O)NCC#N)CC2)CC1 ZINC001278071963 817691153 /nfs/dbraw/zinc/69/11/53/817691153.db2.gz SBDZUFFVYQTFSA-UHFFFAOYSA-N 2 1 335.452 -0.061 20 30 EBEDMP COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001278754999 817809983 /nfs/dbraw/zinc/80/99/83/817809983.db2.gz CPOYLABESQCVDB-HZPDHXFCSA-N 2 1 325.453 -0.082 20 30 EBEDMP CC(C)[N@@H+](C)CC(=O)NC1(C[NH2+]CC(=O)NCC#N)CCOCC1 ZINC001281284792 818135927 /nfs/dbraw/zinc/13/59/27/818135927.db2.gz JOJGLZKHWNFIKE-UHFFFAOYSA-N 2 1 339.440 -0.779 20 30 EBEDMP C#CCNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001281964319 818327128 /nfs/dbraw/zinc/32/71/28/818327128.db2.gz DZYAXTMTOGFRKT-OAHLLOKOSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001281964319 818327133 /nfs/dbraw/zinc/32/71/33/818327133.db2.gz DZYAXTMTOGFRKT-OAHLLOKOSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001281964317 818327284 /nfs/dbraw/zinc/32/72/84/818327284.db2.gz DZYAXTMTOGFRKT-HNNXBMFYSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001281964317 818327290 /nfs/dbraw/zinc/32/72/90/818327290.db2.gz DZYAXTMTOGFRKT-HNNXBMFYSA-N 2 1 332.448 -0.246 20 30 EBEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001099903210 819883009 /nfs/dbraw/zinc/88/30/09/819883009.db2.gz CCZCREPLZWENEA-HOTGVXAUSA-N 2 1 335.448 -0.184 20 30 EBEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001099903210 819883021 /nfs/dbraw/zinc/88/30/21/819883021.db2.gz CCZCREPLZWENEA-HOTGVXAUSA-N 2 1 335.448 -0.184 20 30 EBEDMP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC#CCOC)C[C@@H]1O ZINC001100083069 820181629 /nfs/dbraw/zinc/18/16/29/820181629.db2.gz MQMJTWQSNWNVLE-HOTGVXAUSA-N 2 1 325.453 -0.081 20 30 EBEDMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC#CCOC)C[C@@H]1O ZINC001100083069 820181634 /nfs/dbraw/zinc/18/16/34/820181634.db2.gz MQMJTWQSNWNVLE-HOTGVXAUSA-N 2 1 325.453 -0.081 20 30 EBEDMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC#CCOC)C[C@@H]1O ZINC001100083069 820181640 /nfs/dbraw/zinc/18/16/40/820181640.db2.gz MQMJTWQSNWNVLE-HOTGVXAUSA-N 2 1 325.453 -0.081 20 30 EBEDMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC#CCOC)C[C@@H]1O ZINC001100083069 820181645 /nfs/dbraw/zinc/18/16/45/820181645.db2.gz MQMJTWQSNWNVLE-HOTGVXAUSA-N 2 1 325.453 -0.081 20 30 EBEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001100437898 820420803 /nfs/dbraw/zinc/42/08/03/820420803.db2.gz GIKKKQBVUCMXBU-XSCHDIRWSA-N 2 1 338.452 -0.508 20 30 EBEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001100437898 820420804 /nfs/dbraw/zinc/42/08/04/820420804.db2.gz GIKKKQBVUCMXBU-XSCHDIRWSA-N 2 1 338.452 -0.508 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001100606501 820484648 /nfs/dbraw/zinc/48/46/48/820484648.db2.gz IOJIXRFJJBAZAS-UIDBIOKJSA-N 2 1 334.464 -0.050 20 30 EBEDMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001105008303 821569953 /nfs/dbraw/zinc/56/99/53/821569953.db2.gz XHPBINWBZQXEFM-RBSFLKMASA-N 2 1 335.452 -0.348 20 30 EBEDMP C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105320717 821690849 /nfs/dbraw/zinc/69/08/49/821690849.db2.gz HCLCZWSKYYQNOB-UHFFFAOYSA-N 2 1 336.440 -0.095 20 30 EBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001316668336 821826647 /nfs/dbraw/zinc/82/66/47/821826647.db2.gz FJUVAEWGVJTENN-BBWFWOEESA-N 2 1 345.447 -0.342 20 30 EBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001316668336 821826652 /nfs/dbraw/zinc/82/66/52/821826652.db2.gz FJUVAEWGVJTENN-BBWFWOEESA-N 2 1 345.447 -0.342 20 30 EBEDMP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC23CC[NH+](CC(=O)NCC#N)CC3)C1 ZINC001317007745 821972192 /nfs/dbraw/zinc/97/21/92/821972192.db2.gz QHAMBBQASPUKPJ-CABCVRRESA-N 2 1 347.463 -0.061 20 30 EBEDMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC23CC[NH+](CC(=O)NCC#N)CC3)C1 ZINC001317007745 821972198 /nfs/dbraw/zinc/97/21/98/821972198.db2.gz QHAMBBQASPUKPJ-CABCVRRESA-N 2 1 347.463 -0.061 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H](CNC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001317018419 821975574 /nfs/dbraw/zinc/97/55/74/821975574.db2.gz GAYJMFBDLUNYTE-DZGCQCFKSA-N 2 1 331.420 -0.186 20 30 EBEDMP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001317207221 822035915 /nfs/dbraw/zinc/03/59/15/822035915.db2.gz UQRWYTPCIUIZBS-CABCVRRESA-N 2 1 347.463 -0.061 20 30 EBEDMP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001317207221 822035925 /nfs/dbraw/zinc/03/59/25/822035925.db2.gz UQRWYTPCIUIZBS-CABCVRRESA-N 2 1 347.463 -0.061 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001317213293 822038696 /nfs/dbraw/zinc/03/86/96/822038696.db2.gz WBIOGQNTOBKEGS-LFRCEIEQSA-N 2 1 344.459 -0.201 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001317213293 822038706 /nfs/dbraw/zinc/03/87/06/822038706.db2.gz WBIOGQNTOBKEGS-LFRCEIEQSA-N 2 1 344.459 -0.201 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001317213293 822038716 /nfs/dbraw/zinc/03/87/16/822038716.db2.gz WBIOGQNTOBKEGS-LFRCEIEQSA-N 2 1 344.459 -0.201 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001317213293 822038724 /nfs/dbraw/zinc/03/87/24/822038724.db2.gz WBIOGQNTOBKEGS-LFRCEIEQSA-N 2 1 344.459 -0.201 20 30 EBEDMP C#CCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001317294898 822071563 /nfs/dbraw/zinc/07/15/63/822071563.db2.gz APCVWKODLJJAQK-HZPDHXFCSA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CCNC(=O)C2CC2)CC1 ZINC001317472305 822124780 /nfs/dbraw/zinc/12/47/80/822124780.db2.gz ZOGOXBFIODUQIA-UHFFFAOYSA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001318422838 822312399 /nfs/dbraw/zinc/31/23/99/822312399.db2.gz BSYZXHLFUYAOKL-HRCADAONSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001318422838 822312403 /nfs/dbraw/zinc/31/24/03/822312403.db2.gz BSYZXHLFUYAOKL-HRCADAONSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001318422838 822312412 /nfs/dbraw/zinc/31/24/12/822312412.db2.gz BSYZXHLFUYAOKL-HRCADAONSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001318422838 822312422 /nfs/dbraw/zinc/31/24/22/822312422.db2.gz BSYZXHLFUYAOKL-HRCADAONSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129219243 828582477 /nfs/dbraw/zinc/58/24/77/828582477.db2.gz BJMCLVFNKOEAJT-CABCVRRESA-N 2 1 330.436 -0.015 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(C)C[N@H+](C[C@H](C)O)CCO2)CC1 ZINC001108419430 824275754 /nfs/dbraw/zinc/27/57/54/824275754.db2.gz LBKWOSCWTLHCMD-YJBOKZPZSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(C)C[N@@H+](C[C@H](C)O)CCO2)CC1 ZINC001108419430 824275760 /nfs/dbraw/zinc/27/57/60/824275760.db2.gz LBKWOSCWTLHCMD-YJBOKZPZSA-N 2 1 337.464 -0.081 20 30 EBEDMP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC#N)C2 ZINC001111927059 825343891 /nfs/dbraw/zinc/34/38/91/825343891.db2.gz XDMUIOMTYQZWNL-YOEHRIQHSA-N 2 1 335.452 -0.061 20 30 EBEDMP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC#N)C2 ZINC001111927059 825343896 /nfs/dbraw/zinc/34/38/96/825343896.db2.gz XDMUIOMTYQZWNL-YOEHRIQHSA-N 2 1 335.452 -0.061 20 30 EBEDMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001111927059 825343899 /nfs/dbraw/zinc/34/38/99/825343899.db2.gz XDMUIOMTYQZWNL-YOEHRIQHSA-N 2 1 335.452 -0.061 20 30 EBEDMP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001111927059 825343904 /nfs/dbraw/zinc/34/39/04/825343904.db2.gz XDMUIOMTYQZWNL-YOEHRIQHSA-N 2 1 335.452 -0.061 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111937923 825349377 /nfs/dbraw/zinc/34/93/77/825349377.db2.gz CCCGLAGTEJJHOA-KXBFYZLASA-N 2 1 344.459 -0.198 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111937923 825349385 /nfs/dbraw/zinc/34/93/85/825349385.db2.gz CCCGLAGTEJJHOA-KXBFYZLASA-N 2 1 344.459 -0.198 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001114291240 826196299 /nfs/dbraw/zinc/19/62/99/826196299.db2.gz UPNVBQRSYDFSQC-LJIGWXMPSA-N 2 1 330.432 -0.876 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001114291240 826196300 /nfs/dbraw/zinc/19/63/00/826196300.db2.gz UPNVBQRSYDFSQC-LJIGWXMPSA-N 2 1 330.432 -0.876 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001114368940 826222731 /nfs/dbraw/zinc/22/27/31/826222731.db2.gz WDCUPSIORLBVFV-DLTWYDFYSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001114368940 826222741 /nfs/dbraw/zinc/22/27/41/826222741.db2.gz WDCUPSIORLBVFV-DLTWYDFYSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CCC ZINC001114368940 826222750 /nfs/dbraw/zinc/22/27/50/826222750.db2.gz WDCUPSIORLBVFV-DLTWYDFYSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CCC ZINC001114368940 826222756 /nfs/dbraw/zinc/22/27/56/826222756.db2.gz WDCUPSIORLBVFV-DLTWYDFYSA-N 2 1 332.448 -0.343 20 30 EBEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1[C@H]2CN(CC(=O)NCC#N)C[C@H]21 ZINC001114402994 826235476 /nfs/dbraw/zinc/23/54/76/826235476.db2.gz LPPXATYDFGQDDW-OIPACUDHSA-N 2 1 347.463 -0.065 20 30 EBEDMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001114402994 826235484 /nfs/dbraw/zinc/23/54/84/826235484.db2.gz LPPXATYDFGQDDW-OIPACUDHSA-N 2 1 347.463 -0.065 20 30 EBEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001114402994 826235486 /nfs/dbraw/zinc/23/54/86/826235486.db2.gz LPPXATYDFGQDDW-OIPACUDHSA-N 2 1 347.463 -0.065 20 30 EBEDMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114402994 826235496 /nfs/dbraw/zinc/23/54/96/826235496.db2.gz LPPXATYDFGQDDW-OIPACUDHSA-N 2 1 347.463 -0.065 20 30 EBEDMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114402994 826235504 /nfs/dbraw/zinc/23/55/04/826235504.db2.gz LPPXATYDFGQDDW-OIPACUDHSA-N 2 1 347.463 -0.065 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114406573 826236556 /nfs/dbraw/zinc/23/65/56/826236556.db2.gz GLHKUKKXQVUOFQ-KBXIAJHMSA-N 2 1 332.448 -0.345 20 30 EBEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001114590691 826293960 /nfs/dbraw/zinc/29/39/60/826293960.db2.gz XACUKROEDIPISJ-RFROQXIJSA-N 2 1 345.443 -0.454 20 30 EBEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001114590691 826293966 /nfs/dbraw/zinc/29/39/66/826293966.db2.gz XACUKROEDIPISJ-RFROQXIJSA-N 2 1 345.443 -0.454 20 30 EBEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001114590691 826293969 /nfs/dbraw/zinc/29/39/69/826293969.db2.gz XACUKROEDIPISJ-RFROQXIJSA-N 2 1 345.443 -0.454 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001114723826 826324081 /nfs/dbraw/zinc/32/40/81/826324081.db2.gz AEABENOLPHBDTL-CBZIJGRNSA-N 2 1 346.475 -0.096 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001114723826 826324087 /nfs/dbraw/zinc/32/40/87/826324087.db2.gz AEABENOLPHBDTL-CBZIJGRNSA-N 2 1 346.475 -0.096 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001114723826 826324091 /nfs/dbraw/zinc/32/40/91/826324091.db2.gz AEABENOLPHBDTL-CBZIJGRNSA-N 2 1 346.475 -0.096 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001114723826 826324098 /nfs/dbraw/zinc/32/40/98/826324098.db2.gz AEABENOLPHBDTL-CBZIJGRNSA-N 2 1 346.475 -0.096 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](CC)CC ZINC001114828850 826350061 /nfs/dbraw/zinc/35/00/61/826350061.db2.gz LIEZDYLPPCMCCU-QSJFSLAZSA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](CC)CC ZINC001114828850 826350067 /nfs/dbraw/zinc/35/00/67/826350067.db2.gz LIEZDYLPPCMCCU-QSJFSLAZSA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC)C[C@H]32)CC1 ZINC001115290656 826496415 /nfs/dbraw/zinc/49/64/15/826496415.db2.gz YEPAAHWMTMXCGB-QLPKVWCKSA-N 2 1 332.448 -0.486 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC)C[C@H]32)CC1 ZINC001115290656 826496418 /nfs/dbraw/zinc/49/64/18/826496418.db2.gz YEPAAHWMTMXCGB-QLPKVWCKSA-N 2 1 332.448 -0.486 20 30 EBEDMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@]1(C)C[NH2+]CC(=O)NCC#N ZINC001180898596 833121123 /nfs/dbraw/zinc/12/11/23/833121123.db2.gz BPUZMCHMLODBDU-JKIFEVAISA-N 2 1 335.452 -0.205 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001121772886 827446796 /nfs/dbraw/zinc/44/67/96/827446796.db2.gz JTRJFSBMYWXSMU-ZKPTZSFGSA-N 2 1 346.475 -0.050 20 30 EBEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#Cc1ccccc1 ZINC001124873544 827972884 /nfs/dbraw/zinc/97/28/84/827972884.db2.gz XUJQUJXUGOEVJV-QGZVFWFLSA-N 2 1 342.443 -0.046 20 30 EBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1cncn1C ZINC001130946074 829000421 /nfs/dbraw/zinc/00/04/21/829000421.db2.gz IXTDFIBHKJRKHU-INMHGKMJSA-N 2 1 345.447 -0.342 20 30 EBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1cncn1C ZINC001130946074 829000431 /nfs/dbraw/zinc/00/04/31/829000431.db2.gz IXTDFIBHKJRKHU-INMHGKMJSA-N 2 1 345.447 -0.342 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001211098906 837386473 /nfs/dbraw/zinc/38/64/73/837386473.db2.gz VCZIFEFDEVBIHX-UKRRQHHQSA-N 2 1 331.420 -0.090 20 30 EBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1=O ZINC001131520411 829153138 /nfs/dbraw/zinc/15/31/38/829153138.db2.gz XSIRAUCOWYXCDU-DGSCNEQVSA-N 2 1 348.447 -0.658 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845304 829684964 /nfs/dbraw/zinc/68/49/64/829684964.db2.gz AUGOJEQHTJIMJD-GFCCVEGCSA-N 2 1 325.413 -0.954 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001133890334 829694081 /nfs/dbraw/zinc/69/40/81/829694081.db2.gz PDXKJJNBCLMLMB-ZDUSSCGKSA-N 2 1 347.419 -0.272 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001135325884 829945418 /nfs/dbraw/zinc/94/54/18/829945418.db2.gz JXNVIMCXIGOXMY-OAHLLOKOSA-N 2 1 340.468 -0.115 20 30 EBEDMP C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CC[NH+]1CCOCC1 ZINC001135676140 830004536 /nfs/dbraw/zinc/00/45/36/830004536.db2.gz QXNANULVQBNLPH-KBPBESRZSA-N 2 1 339.440 -0.779 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]2C)CC1 ZINC001211306485 837425656 /nfs/dbraw/zinc/42/56/56/837425656.db2.gz CJXSWBOWFDBUKG-DJIMGWMZSA-N 2 1 337.464 -0.225 20 30 EBEDMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NCC#N)C3)CC[N@@H+]1C ZINC001147582929 830367064 /nfs/dbraw/zinc/36/70/64/830367064.db2.gz JNPBAIFUHTVXAV-ZIAGYGMSSA-N 2 1 333.436 -0.499 20 30 EBEDMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NCC#N)C3)CC[N@H+]1C ZINC001147582929 830367069 /nfs/dbraw/zinc/36/70/69/830367069.db2.gz JNPBAIFUHTVXAV-ZIAGYGMSSA-N 2 1 333.436 -0.499 20 30 EBEDMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@H+](CC(=O)NCC#N)C3)CC[NH+]1C ZINC001147582929 830367075 /nfs/dbraw/zinc/36/70/75/830367075.db2.gz JNPBAIFUHTVXAV-ZIAGYGMSSA-N 2 1 333.436 -0.499 20 30 EBEDMP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NCC#N)C3)CC[NH+]1C ZINC001147582929 830367081 /nfs/dbraw/zinc/36/70/81/830367081.db2.gz JNPBAIFUHTVXAV-ZIAGYGMSSA-N 2 1 333.436 -0.499 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCOCCO)C2 ZINC001147737106 830404313 /nfs/dbraw/zinc/40/43/13/830404313.db2.gz QSQFPDFSNPSPMD-INIZCTEOSA-N 2 1 335.448 -0.373 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001147737106 830404314 /nfs/dbraw/zinc/40/43/14/830404314.db2.gz QSQFPDFSNPSPMD-INIZCTEOSA-N 2 1 335.448 -0.373 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCOCCO)C2 ZINC001147737106 830404316 /nfs/dbraw/zinc/40/43/16/830404316.db2.gz QSQFPDFSNPSPMD-INIZCTEOSA-N 2 1 335.448 -0.373 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCOCCO)C2 ZINC001147737106 830404319 /nfs/dbraw/zinc/40/43/19/830404319.db2.gz QSQFPDFSNPSPMD-INIZCTEOSA-N 2 1 335.448 -0.373 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001148285122 830465749 /nfs/dbraw/zinc/46/57/49/830465749.db2.gz NCYCUYFNVFDZDK-HNNXBMFYSA-N 2 1 332.448 -0.388 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001148285122 830465754 /nfs/dbraw/zinc/46/57/54/830465754.db2.gz NCYCUYFNVFDZDK-HNNXBMFYSA-N 2 1 332.448 -0.388 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001148285122 830465756 /nfs/dbraw/zinc/46/57/56/830465756.db2.gz NCYCUYFNVFDZDK-HNNXBMFYSA-N 2 1 332.448 -0.388 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001148285122 830465758 /nfs/dbraw/zinc/46/57/58/830465758.db2.gz NCYCUYFNVFDZDK-HNNXBMFYSA-N 2 1 332.448 -0.388 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[N@H+](C)CCC ZINC001148570380 830509547 /nfs/dbraw/zinc/50/95/47/830509547.db2.gz CDRUJBFQDFXVBH-UHFFFAOYSA-N 2 1 327.429 -0.564 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+](C)CCC ZINC001148655320 830525055 /nfs/dbraw/zinc/52/50/55/830525055.db2.gz MDUMIJXIEGHAPJ-LBPRGKRZSA-N 2 1 327.429 -0.566 20 30 EBEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001153381952 831232018 /nfs/dbraw/zinc/23/20/18/831232018.db2.gz PBRQCMMZEAFTGS-GDBMZVCRSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001153381952 831232022 /nfs/dbraw/zinc/23/20/22/831232022.db2.gz PBRQCMMZEAFTGS-GDBMZVCRSA-N 2 1 334.464 -0.096 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155791302 831430357 /nfs/dbraw/zinc/43/03/57/831430357.db2.gz VQQYPLZYMXVBPZ-GFCCVEGCSA-N 2 1 325.413 -0.812 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001160197717 831824562 /nfs/dbraw/zinc/82/45/62/831824562.db2.gz DPEGABOWQPQFCX-AWEZNQCLSA-N 2 1 349.435 -0.832 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001160197717 831824570 /nfs/dbraw/zinc/82/45/70/831824570.db2.gz DPEGABOWQPQFCX-AWEZNQCLSA-N 2 1 349.435 -0.832 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H](O)COCCOC ZINC001160209799 831824818 /nfs/dbraw/zinc/82/48/18/831824818.db2.gz XFNVFMIELKTHAP-CVEARBPZSA-N 2 1 341.452 -0.796 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H](O)COCCOC ZINC001160209799 831824821 /nfs/dbraw/zinc/82/48/21/831824821.db2.gz XFNVFMIELKTHAP-CVEARBPZSA-N 2 1 341.452 -0.796 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001160209327 831825591 /nfs/dbraw/zinc/82/55/91/831825591.db2.gz HTZTYZVCYPCUQB-STQMWFEESA-N 2 1 337.424 -0.976 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001160209327 831825595 /nfs/dbraw/zinc/82/55/95/831825595.db2.gz HTZTYZVCYPCUQB-STQMWFEESA-N 2 1 337.424 -0.976 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872163 832068732 /nfs/dbraw/zinc/06/87/32/832068732.db2.gz IOBMTXTXBCCBQC-CQDIZWNASA-N 2 1 348.447 -0.917 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001164535676 832194872 /nfs/dbraw/zinc/19/48/72/832194872.db2.gz AFEJAKJCSHUNFE-CABCVRRESA-N 2 1 338.452 -0.671 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001167237213 832319938 /nfs/dbraw/zinc/31/99/38/832319938.db2.gz XHQGIEFWDPUYCT-CABCVRRESA-N 2 1 334.464 -0.190 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+](C)CCC ZINC001171770697 832575773 /nfs/dbraw/zinc/57/57/73/832575773.db2.gz XZCQYDWJTSUBPG-ZDUSSCGKSA-N 2 1 341.456 -0.176 20 30 EBEDMP C[N@H+](CC(=O)NCCC[NH2+]CC(=O)NCC#N)Cc1ccccc1 ZINC001177344755 832776721 /nfs/dbraw/zinc/77/67/21/832776721.db2.gz UBSBNCRMCLJVIV-UHFFFAOYSA-N 2 1 331.420 -0.146 20 30 EBEDMP C[N@@H+](CC(=O)NCCC[NH2+]CC(=O)NCC#N)Cc1ccccc1 ZINC001177344755 832776723 /nfs/dbraw/zinc/77/67/23/832776723.db2.gz UBSBNCRMCLJVIV-UHFFFAOYSA-N 2 1 331.420 -0.146 20 30 EBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191135676 834420576 /nfs/dbraw/zinc/42/05/76/834420576.db2.gz FYXVKPRHDFIPEZ-HNNXBMFYSA-N 2 1 332.448 -0.103 20 30 EBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191135676 834420582 /nfs/dbraw/zinc/42/05/82/834420582.db2.gz FYXVKPRHDFIPEZ-HNNXBMFYSA-N 2 1 332.448 -0.103 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCOCCO)C2)CC1 ZINC001194247289 835058933 /nfs/dbraw/zinc/05/89/33/835058933.db2.gz VVBOKYWBZIUGDK-KRWDZBQOSA-N 2 1 337.464 -0.127 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C2)CC1 ZINC001194247318 835059746 /nfs/dbraw/zinc/05/97/46/835059746.db2.gz WNJXIEXMTIUORN-CQSZACIVSA-N 2 1 349.435 -0.941 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C2)CC1 ZINC001194247318 835059758 /nfs/dbraw/zinc/05/97/58/835059758.db2.gz WNJXIEXMTIUORN-CQSZACIVSA-N 2 1 349.435 -0.941 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001200976391 836076516 /nfs/dbraw/zinc/07/65/16/836076516.db2.gz RYKFFDRZJPBFGS-CQSZACIVSA-N 2 1 348.407 -0.962 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCCO1 ZINC001201800261 836193395 /nfs/dbraw/zinc/19/33/95/836193395.db2.gz IEHFYAVCLIKTQP-OAHLLOKOSA-N 2 1 340.468 -0.163 20 30 EBEDMP CC[N@@H+](C)CCC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001201801194 836194519 /nfs/dbraw/zinc/19/45/19/836194519.db2.gz UUNCBGXWXJVHPC-AWEZNQCLSA-N 2 1 339.440 -0.825 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001203709659 836465785 /nfs/dbraw/zinc/46/57/85/836465785.db2.gz VWVVZITYUSEUMN-ZDUSSCGKSA-N 2 1 331.420 -0.090 20 30 EBEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203794211 836478375 /nfs/dbraw/zinc/47/83/75/836478375.db2.gz VNJHVOSZUUHQAC-ZIAGYGMSSA-N 2 1 335.452 -0.017 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208410875 837025679 /nfs/dbraw/zinc/02/56/79/837025679.db2.gz GWPXFSIMQUCGCG-RBSFLKMASA-N 2 1 336.436 -0.965 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208410875 837025689 /nfs/dbraw/zinc/02/56/89/837025689.db2.gz GWPXFSIMQUCGCG-RBSFLKMASA-N 2 1 336.436 -0.965 20 30 EBEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730607 837854734 /nfs/dbraw/zinc/85/47/34/837854734.db2.gz SIPAWEFPVVEFAM-HUUCEWRRSA-N 2 1 329.441 -0.417 20 30 EBEDMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]([NH2+]CC(=O)NCC#N)C(C)C)C1 ZINC001319968735 838202971 /nfs/dbraw/zinc/20/29/71/838202971.db2.gz QLKOXQKAXCQPIX-ZIAGYGMSSA-N 2 1 339.440 -0.923 20 30 EBEDMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]([NH2+]CC(=O)NCC#N)C(C)C)C1 ZINC001319968735 838202981 /nfs/dbraw/zinc/20/29/81/838202981.db2.gz QLKOXQKAXCQPIX-ZIAGYGMSSA-N 2 1 339.440 -0.923 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001325425746 839863642 /nfs/dbraw/zinc/86/36/42/839863642.db2.gz CBWVPQNFVQXPHT-ZIAGYGMSSA-N 2 1 332.408 -0.342 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]Cc1cnn(C)c1 ZINC001326042304 840012615 /nfs/dbraw/zinc/01/26/15/840012615.db2.gz SOQNQJDQIOQIIT-INIZCTEOSA-N 2 1 333.436 -0.572 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]Cc1cnn(C)c1 ZINC001326042304 840012624 /nfs/dbraw/zinc/01/26/24/840012624.db2.gz SOQNQJDQIOQIIT-INIZCTEOSA-N 2 1 333.436 -0.572 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001332282674 841604976 /nfs/dbraw/zinc/60/49/76/841604976.db2.gz QGQFVXRRJPRPRW-LSDHHAIUSA-N 2 1 331.420 -0.185 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC001332378489 841628965 /nfs/dbraw/zinc/62/89/65/841628965.db2.gz AVYSXFMZJKDGTH-RBSFLKMASA-N 2 1 334.464 -0.097 20 30 EBEDMP C=CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001332646058 841702866 /nfs/dbraw/zinc/70/28/66/841702866.db2.gz CFZCFZJIFSDFGN-CABCVRRESA-N 2 1 340.468 -0.476 20 30 EBEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001332646058 841702872 /nfs/dbraw/zinc/70/28/72/841702872.db2.gz CFZCFZJIFSDFGN-CABCVRRESA-N 2 1 340.468 -0.476 20 30 EBEDMP C=CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001332646058 841702877 /nfs/dbraw/zinc/70/28/77/841702877.db2.gz CFZCFZJIFSDFGN-CABCVRRESA-N 2 1 340.468 -0.476 20 30 EBEDMP C=CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001332646058 841702887 /nfs/dbraw/zinc/70/28/87/841702887.db2.gz CFZCFZJIFSDFGN-CABCVRRESA-N 2 1 340.468 -0.476 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NCC=C)C1 ZINC001691149045 1125838017 /nfs/dbraw/zinc/83/80/17/1125838017.db2.gz KMYLCZSCBNSPMF-JYJNAYRXSA-N 2 1 332.448 -0.129 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NCC=C)C1 ZINC001691149045 1125838019 /nfs/dbraw/zinc/83/80/19/1125838019.db2.gz KMYLCZSCBNSPMF-JYJNAYRXSA-N 2 1 332.448 -0.129 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001480947122 1125889354 /nfs/dbraw/zinc/88/93/54/1125889354.db2.gz JAKVAKAOPVZCSF-OLZOCXBDSA-N 2 1 339.440 -0.614 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001480947122 1125889355 /nfs/dbraw/zinc/88/93/55/1125889355.db2.gz JAKVAKAOPVZCSF-OLZOCXBDSA-N 2 1 339.440 -0.614 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001480947122 1125889356 /nfs/dbraw/zinc/88/93/56/1125889356.db2.gz JAKVAKAOPVZCSF-OLZOCXBDSA-N 2 1 339.440 -0.614 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001480947122 1125889357 /nfs/dbraw/zinc/88/93/57/1125889357.db2.gz JAKVAKAOPVZCSF-OLZOCXBDSA-N 2 1 339.440 -0.614 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001481092875 1125919998 /nfs/dbraw/zinc/91/99/98/1125919998.db2.gz QLIJWJMRBJECMF-GDBMZVCRSA-N 2 1 332.448 -0.484 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001481092877 1125920087 /nfs/dbraw/zinc/92/00/87/1125920087.db2.gz QLIJWJMRBJECMF-HOCLYGCPSA-N 2 1 332.448 -0.484 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC001482663762 1126248352 /nfs/dbraw/zinc/24/83/52/1126248352.db2.gz BXAWTMGLMKJJSE-CABCVRRESA-N 2 1 345.447 -0.355 20 30 EBEDMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001482796646 1126293551 /nfs/dbraw/zinc/29/35/51/1126293551.db2.gz BGVODUOEJQNAKC-DLBZAZTESA-N 2 1 346.431 -0.154 20 30 EBEDMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001482796646 1126293553 /nfs/dbraw/zinc/29/35/53/1126293553.db2.gz BGVODUOEJQNAKC-DLBZAZTESA-N 2 1 346.431 -0.154 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCn1cncn1)C1CC1 ZINC001483567649 1126435464 /nfs/dbraw/zinc/43/54/64/1126435464.db2.gz QFOCMWJLECPPGS-HOTGVXAUSA-N 2 1 330.436 -0.140 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCn1cncn1)C1CC1 ZINC001483567649 1126435465 /nfs/dbraw/zinc/43/54/65/1126435465.db2.gz QFOCMWJLECPPGS-HOTGVXAUSA-N 2 1 330.436 -0.140 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001484414836 1126571971 /nfs/dbraw/zinc/57/19/71/1126571971.db2.gz DHHMGWWQHXZSCH-XUWVNRHRSA-N 2 1 332.448 -0.534 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001484414836 1126571974 /nfs/dbraw/zinc/57/19/74/1126571974.db2.gz DHHMGWWQHXZSCH-XUWVNRHRSA-N 2 1 332.448 -0.534 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001484414836 1126571975 /nfs/dbraw/zinc/57/19/75/1126571975.db2.gz DHHMGWWQHXZSCH-XUWVNRHRSA-N 2 1 332.448 -0.534 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCn2cccn2)C1 ZINC001484680633 1126616496 /nfs/dbraw/zinc/61/64/96/1126616496.db2.gz OJHJFAURNIANNU-SJORKVTESA-N 2 1 345.447 -0.202 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCn2cccn2)C1 ZINC001484680633 1126616497 /nfs/dbraw/zinc/61/64/97/1126616497.db2.gz OJHJFAURNIANNU-SJORKVTESA-N 2 1 345.447 -0.202 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC001485783870 1126837214 /nfs/dbraw/zinc/83/72/14/1126837214.db2.gz WAAOAHIZBCKPRF-CABCVRRESA-N 2 1 338.452 -0.813 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC001485783870 1126837217 /nfs/dbraw/zinc/83/72/17/1126837217.db2.gz WAAOAHIZBCKPRF-CABCVRRESA-N 2 1 338.452 -0.813 20 30 EBEDMP C[NH+](C)CCCC(=O)N[C@@H]1CC12CC[NH+](CC(=O)NCC#N)CC2 ZINC001490598033 1129232532 /nfs/dbraw/zinc/23/25/32/1129232532.db2.gz DNWWGYHSJWGZSM-CQSZACIVSA-N 2 1 335.452 -0.061 20 30 EBEDMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001491047326 1130305363 /nfs/dbraw/zinc/30/53/63/1130305363.db2.gz JPMJLOZUZWXLOJ-SOUVJXGZSA-N 2 1 335.452 -0.015 20 30 EBEDMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001491047325 1130305620 /nfs/dbraw/zinc/30/56/20/1130305620.db2.gz JPMJLOZUZWXLOJ-KFWWJZLASA-N 2 1 335.452 -0.015 20 30 EBEDMP C[N@H+]1CC[C@H](CC(=O)NC2CCC([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001491370819 1130418326 /nfs/dbraw/zinc/41/83/26/1130418326.db2.gz BNDPEYBSFISNMM-WLYUNCDWSA-N 2 1 335.452 -0.015 20 30 EBEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCN(c2ncccn2)CC1 ZINC000088686541 377008771 /nfs/dbraw/zinc/00/87/71/377008771.db2.gz KTAMECUTRPGPMJ-OAHLLOKOSA-N 2 1 346.483 -0.580 20 30 EBEDMP C[N@H+]1CCCN(CCNC(=[NH2+])NCCCN2CCOCC2)CC1 ZINC000303892544 380774751 /nfs/dbraw/zinc/77/47/51/380774751.db2.gz RHIQEYYHBWEAKM-UHFFFAOYSA-N 2 1 326.489 -0.750 20 30 EBEDMP C[N@@H+]1CCCN(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000303892544 380774758 /nfs/dbraw/zinc/77/47/58/380774758.db2.gz RHIQEYYHBWEAKM-UHFFFAOYSA-N 3 1 326.489 -0.750 20 30 EBEDMP C[N@H+]1CCCN(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000303892544 380774765 /nfs/dbraw/zinc/77/47/65/380774765.db2.gz RHIQEYYHBWEAKM-UHFFFAOYSA-N 3 1 326.489 -0.750 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000734466808 582873117 /nfs/dbraw/zinc/87/31/17/582873117.db2.gz NGWJEYXVJHCIIH-SFHVURJKSA-N 2 1 348.491 -0.146 20 30 EBEDMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC1=O ZINC000844195015 584091150 /nfs/dbraw/zinc/09/11/50/584091150.db2.gz PATUMPGERDBJBJ-LXTVHRRPSA-N 2 1 333.436 -0.453 20 30 EBEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000889434376 584686732 /nfs/dbraw/zinc/68/67/32/584686732.db2.gz QJICKZZEXZJGSM-GJZGRUSLSA-N 2 1 335.452 -0.277 20 30 EBEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000889434376 584686734 /nfs/dbraw/zinc/68/67/34/584686734.db2.gz QJICKZZEXZJGSM-GJZGRUSLSA-N 2 1 335.452 -0.277 20 30 EBEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000889434376 584686736 /nfs/dbraw/zinc/68/67/36/584686736.db2.gz QJICKZZEXZJGSM-GJZGRUSLSA-N 2 1 335.452 -0.277 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000889434376 584686737 /nfs/dbraw/zinc/68/67/37/584686737.db2.gz QJICKZZEXZJGSM-GJZGRUSLSA-N 2 1 335.452 -0.277 20 30 EBEDMP C[NH+]=C(NC[C@@H]1COCCO1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261626259 649984354 /nfs/dbraw/zinc/98/43/54/649984354.db2.gz BWKKUTURLPNFBY-HUUCEWRRSA-N 2 1 326.441 -0.369 20 30 EBEDMP C[NH+]=C(NC[C@@H]1COCCO1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261626260 649984371 /nfs/dbraw/zinc/98/43/71/649984371.db2.gz BWKKUTURLPNFBY-LSDHHAIUSA-N 2 1 326.441 -0.369 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000954324971 719669502 /nfs/dbraw/zinc/66/95/02/719669502.db2.gz ZIROKNGQYRHCDF-ZBFHGGJFSA-N 2 1 332.448 -0.295 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000954324971 719669504 /nfs/dbraw/zinc/66/95/04/719669504.db2.gz ZIROKNGQYRHCDF-ZBFHGGJFSA-N 2 1 332.448 -0.295 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000954324971 719669507 /nfs/dbraw/zinc/66/95/07/719669507.db2.gz ZIROKNGQYRHCDF-ZBFHGGJFSA-N 2 1 332.448 -0.295 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954324971 719669508 /nfs/dbraw/zinc/66/95/08/719669508.db2.gz ZIROKNGQYRHCDF-ZBFHGGJFSA-N 2 1 332.448 -0.295 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000954631280 719803352 /nfs/dbraw/zinc/80/33/52/719803352.db2.gz UREGWOJVZFHAIU-HOTGVXAUSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000954631280 719803359 /nfs/dbraw/zinc/80/33/59/719803359.db2.gz UREGWOJVZFHAIU-HOTGVXAUSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000954631280 719803365 /nfs/dbraw/zinc/80/33/65/719803365.db2.gz UREGWOJVZFHAIU-HOTGVXAUSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000954631280 719803373 /nfs/dbraw/zinc/80/33/73/719803373.db2.gz UREGWOJVZFHAIU-HOTGVXAUSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC000960344398 722821675 /nfs/dbraw/zinc/82/16/75/722821675.db2.gz GYFQEHBKSGSKGT-UIBIWLFHSA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC000960344398 722821676 /nfs/dbraw/zinc/82/16/76/722821676.db2.gz GYFQEHBKSGSKGT-UIBIWLFHSA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3CCCC3=O)C[C@H]21 ZINC000960344398 722821677 /nfs/dbraw/zinc/82/16/77/722821677.db2.gz GYFQEHBKSGSKGT-UIBIWLFHSA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3CCCC3=O)C[C@H]21 ZINC000960344398 722821678 /nfs/dbraw/zinc/82/16/78/722821678.db2.gz GYFQEHBKSGSKGT-UIBIWLFHSA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@H](C)C(N)=O)C2 ZINC000963960796 723511764 /nfs/dbraw/zinc/51/17/64/723511764.db2.gz IKWAQYQUWWJQRH-AKTUJNGQSA-N 2 1 332.448 -0.025 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@H](C)C(N)=O)C2 ZINC000963960796 723511766 /nfs/dbraw/zinc/51/17/66/723511766.db2.gz IKWAQYQUWWJQRH-AKTUJNGQSA-N 2 1 332.448 -0.025 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+]([C@H](C)C(=O)NC)C2)CC1 ZINC000970921711 725342286 /nfs/dbraw/zinc/34/22/86/725342286.db2.gz RQUDURZMPBSMDM-ZIAGYGMSSA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+]([C@H](C)C(N)=O)CC2)CC1 ZINC001001466652 726607644 /nfs/dbraw/zinc/60/76/44/726607644.db2.gz CEFIWTWGUTVQBT-CQSZACIVSA-N 2 1 332.448 -0.046 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+]([C@H](C)C(N)=O)CC2)CC1 ZINC001001466652 726607645 /nfs/dbraw/zinc/60/76/45/726607645.db2.gz CEFIWTWGUTVQBT-CQSZACIVSA-N 2 1 332.448 -0.046 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001011162770 727480071 /nfs/dbraw/zinc/48/00/71/727480071.db2.gz WANCHFHZVLXAFD-CVEARBPZSA-N 2 1 332.448 -0.294 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001011162770 727480072 /nfs/dbraw/zinc/48/00/72/727480072.db2.gz WANCHFHZVLXAFD-CVEARBPZSA-N 2 1 332.448 -0.294 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001011162770 727480074 /nfs/dbraw/zinc/48/00/74/727480074.db2.gz WANCHFHZVLXAFD-CVEARBPZSA-N 2 1 332.448 -0.294 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001011162770 727480076 /nfs/dbraw/zinc/48/00/76/727480076.db2.gz WANCHFHZVLXAFD-CVEARBPZSA-N 2 1 332.448 -0.294 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001020250413 729114829 /nfs/dbraw/zinc/11/48/29/729114829.db2.gz FPMFHPDIWQFEJA-VGWMRTNUSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001020250413 729114831 /nfs/dbraw/zinc/11/48/31/729114831.db2.gz FPMFHPDIWQFEJA-VGWMRTNUSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001022220972 729468375 /nfs/dbraw/zinc/46/83/75/729468375.db2.gz VDXVUDRNZSEIOZ-CRWXNKLISA-N 2 1 332.404 -0.874 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001022220972 729468376 /nfs/dbraw/zinc/46/83/76/729468376.db2.gz VDXVUDRNZSEIOZ-CRWXNKLISA-N 2 1 332.404 -0.874 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)c3nnnn3C)C2)CC1 ZINC001023127944 729614685 /nfs/dbraw/zinc/61/46/85/729614685.db2.gz KERQSGFEZYQAEB-YUELXQCFSA-N 2 1 345.451 -0.147 20 30 EBEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001025814017 730095214 /nfs/dbraw/zinc/09/52/14/730095214.db2.gz BNWAWBQYKDOXMG-BQJWPVKWSA-N 2 1 344.459 -0.249 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001025814017 730095217 /nfs/dbraw/zinc/09/52/17/730095217.db2.gz BNWAWBQYKDOXMG-BQJWPVKWSA-N 2 1 344.459 -0.249 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001025814017 730095221 /nfs/dbraw/zinc/09/52/21/730095221.db2.gz BNWAWBQYKDOXMG-BQJWPVKWSA-N 2 1 344.459 -0.249 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001025814017 730095223 /nfs/dbraw/zinc/09/52/23/730095223.db2.gz BNWAWBQYKDOXMG-BQJWPVKWSA-N 2 1 344.459 -0.249 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001025814017 730095226 /nfs/dbraw/zinc/09/52/26/730095226.db2.gz BNWAWBQYKDOXMG-BQJWPVKWSA-N 2 1 344.459 -0.249 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nncn2C)C1 ZINC001026893727 730168405 /nfs/dbraw/zinc/16/84/05/730168405.db2.gz MEJVIFOTXKQOTM-CABCVRRESA-N 2 1 330.436 -0.149 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nncn2C)C1 ZINC001026893727 730168407 /nfs/dbraw/zinc/16/84/07/730168407.db2.gz MEJVIFOTXKQOTM-CABCVRRESA-N 2 1 330.436 -0.149 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]Cc3nnn(C)n3)C2)CC1 ZINC001027233617 730202145 /nfs/dbraw/zinc/20/21/45/730202145.db2.gz GQJDCWSAPXAYAR-AWEZNQCLSA-N 2 1 345.451 -0.507 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046037425 733821559 /nfs/dbraw/zinc/82/15/59/733821559.db2.gz ZYVJBNJXXQSIJJ-SJORKVTESA-N 2 1 334.464 -0.705 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046037425 733821561 /nfs/dbraw/zinc/82/15/61/733821561.db2.gz ZYVJBNJXXQSIJJ-SJORKVTESA-N 2 1 334.464 -0.705 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH+](CCO)C2)CC1 ZINC001046037425 733821562 /nfs/dbraw/zinc/82/15/62/733821562.db2.gz ZYVJBNJXXQSIJJ-SJORKVTESA-N 2 1 334.464 -0.705 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH+](CCO)C2)CC1 ZINC001046037425 733821565 /nfs/dbraw/zinc/82/15/65/733821565.db2.gz ZYVJBNJXXQSIJJ-SJORKVTESA-N 2 1 334.464 -0.705 20 30 EBEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)CC2)C1 ZINC001046056877 733835706 /nfs/dbraw/zinc/83/57/06/733835706.db2.gz VMKUILBNNJPKEF-ZWKOTPCHSA-N 2 1 348.491 -0.053 20 30 EBEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)CC2)C1 ZINC001046056877 733835707 /nfs/dbraw/zinc/83/57/07/733835707.db2.gz VMKUILBNNJPKEF-ZWKOTPCHSA-N 2 1 348.491 -0.053 20 30 EBEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)CC2)C1 ZINC001046056877 733835709 /nfs/dbraw/zinc/83/57/09/733835709.db2.gz VMKUILBNNJPKEF-ZWKOTPCHSA-N 2 1 348.491 -0.053 20 30 EBEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)CC2)C1 ZINC001046056877 733835712 /nfs/dbraw/zinc/83/57/12/733835712.db2.gz VMKUILBNNJPKEF-ZWKOTPCHSA-N 2 1 348.491 -0.053 20 30 EBEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001047384296 734167457 /nfs/dbraw/zinc/16/74/57/734167457.db2.gz RUTDCDCMXJQNMZ-HOTGVXAUSA-N 2 1 333.436 -0.415 20 30 EBEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001047384296 734167459 /nfs/dbraw/zinc/16/74/59/734167459.db2.gz RUTDCDCMXJQNMZ-HOTGVXAUSA-N 2 1 333.436 -0.415 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048868539 734545560 /nfs/dbraw/zinc/54/55/60/734545560.db2.gz CRNOYPVRHHRNON-QXSJWSMHSA-N 2 1 330.432 -0.637 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048868539 734545563 /nfs/dbraw/zinc/54/55/63/734545563.db2.gz CRNOYPVRHHRNON-QXSJWSMHSA-N 2 1 330.432 -0.637 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048868539 734545566 /nfs/dbraw/zinc/54/55/66/734545566.db2.gz CRNOYPVRHHRNON-QXSJWSMHSA-N 2 1 330.432 -0.637 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048868539 734545569 /nfs/dbraw/zinc/54/55/69/734545569.db2.gz CRNOYPVRHHRNON-QXSJWSMHSA-N 2 1 330.432 -0.637 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H]1CCNC1=O)CC2 ZINC001050551490 734923901 /nfs/dbraw/zinc/92/39/01/734923901.db2.gz YFYAORJYIVDWOV-CVEARBPZSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H]1CCNC1=O)CC2 ZINC001050551490 734923903 /nfs/dbraw/zinc/92/39/03/734923903.db2.gz YFYAORJYIVDWOV-CVEARBPZSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001054296174 736187415 /nfs/dbraw/zinc/18/74/15/736187415.db2.gz IRENFBKRFAVTKP-KFWWJZLASA-N 2 1 346.431 -0.530 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001054296174 736187419 /nfs/dbraw/zinc/18/74/19/736187419.db2.gz IRENFBKRFAVTKP-KFWWJZLASA-N 2 1 346.431 -0.530 20 30 EBEDMP C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001055542862 736376446 /nfs/dbraw/zinc/37/64/46/736376446.db2.gz LRMZIQKHBMFTOJ-ZFWWWQNUSA-N 2 1 335.452 -0.063 20 30 EBEDMP C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001055542862 736376447 /nfs/dbraw/zinc/37/64/47/736376447.db2.gz LRMZIQKHBMFTOJ-ZFWWWQNUSA-N 2 1 335.452 -0.063 20 30 EBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2cncc2C)[C@@H](n2ccnn2)C1 ZINC001069980220 740644748 /nfs/dbraw/zinc/64/47/48/740644748.db2.gz IUFFPYWARSITCC-CABCVRRESA-N 2 1 327.392 -0.152 20 30 EBEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100680 740697984 /nfs/dbraw/zinc/69/79/84/740697984.db2.gz ZNLHIPXTGCESNR-PMPSAXMXSA-N 2 1 348.451 -0.084 20 30 EBEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100680 740697989 /nfs/dbraw/zinc/69/79/89/740697989.db2.gz ZNLHIPXTGCESNR-PMPSAXMXSA-N 2 1 348.451 -0.084 20 30 EBEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100680 740697993 /nfs/dbraw/zinc/69/79/93/740697993.db2.gz ZNLHIPXTGCESNR-PMPSAXMXSA-N 2 1 348.451 -0.084 20 30 EBEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100680 740697999 /nfs/dbraw/zinc/69/79/99/740697999.db2.gz ZNLHIPXTGCESNR-PMPSAXMXSA-N 2 1 348.451 -0.084 20 30 EBEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001070275505 740776353 /nfs/dbraw/zinc/77/63/53/740776353.db2.gz PQAOOYKUXIUIMT-CABCVRRESA-N 2 1 330.436 -0.015 20 30 EBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001077015310 742696345 /nfs/dbraw/zinc/69/63/45/742696345.db2.gz NMDFEYJDMDVHCP-TVFCKZIOSA-N 2 1 349.475 -0.082 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]2O)CC1 ZINC001078228639 743547921 /nfs/dbraw/zinc/54/79/21/743547921.db2.gz YSDJFMGLYRYBRW-KBAYOESNSA-N 2 1 349.475 -0.081 20 30 EBEDMP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001223605318 811717435 /nfs/dbraw/zinc/71/74/35/811717435.db2.gz UQFWVVGQUUYSKG-OAHLLOKOSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001223605318 811717439 /nfs/dbraw/zinc/71/74/39/811717439.db2.gz UQFWVVGQUUYSKG-OAHLLOKOSA-N 2 1 335.452 -0.061 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001225168172 811797467 /nfs/dbraw/zinc/79/74/67/811797467.db2.gz OTGSDTSCXYHWCF-INIZCTEOSA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2C)CC1 ZINC001080998152 812434312 /nfs/dbraw/zinc/43/43/12/812434312.db2.gz VBFLXNKJGDLSAS-BMFZPTHFSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2C)CC1 ZINC001080998152 812434317 /nfs/dbraw/zinc/43/43/17/812434317.db2.gz VBFLXNKJGDLSAS-BMFZPTHFSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2C)CC1 ZINC001080998247 812434596 /nfs/dbraw/zinc/43/45/96/812434596.db2.gz WRLDHEHFKQZUBA-GDBMZVCRSA-N 2 1 334.464 -0.144 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2C)CC1 ZINC001080998247 812434601 /nfs/dbraw/zinc/43/46/01/812434601.db2.gz WRLDHEHFKQZUBA-GDBMZVCRSA-N 2 1 334.464 -0.144 20 30 EBEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001264080713 813147735 /nfs/dbraw/zinc/14/77/35/813147735.db2.gz UNAHMDMJWOXYNB-IAGOWNOFSA-N 2 1 337.464 -0.127 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC(=O)NC(N)=O)C1CC1 ZINC001266142620 813464420 /nfs/dbraw/zinc/46/44/20/813464420.db2.gz COTWBXFGYLQTIJ-AWEZNQCLSA-N 2 1 349.435 -0.750 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC(=O)NC(N)=O)C1CC1 ZINC001266142620 813464425 /nfs/dbraw/zinc/46/44/25/813464425.db2.gz COTWBXFGYLQTIJ-AWEZNQCLSA-N 2 1 349.435 -0.750 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC(=O)NC(N)=O)C1CC1 ZINC001266142620 813464427 /nfs/dbraw/zinc/46/44/27/813464427.db2.gz COTWBXFGYLQTIJ-AWEZNQCLSA-N 2 1 349.435 -0.750 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC(=O)NC(N)=O)C1CC1 ZINC001266142620 813464433 /nfs/dbraw/zinc/46/44/33/813464433.db2.gz COTWBXFGYLQTIJ-AWEZNQCLSA-N 2 1 349.435 -0.750 20 30 EBEDMP C[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)NCC#N ZINC001266645659 813631006 /nfs/dbraw/zinc/63/10/06/813631006.db2.gz FESVSPGFADBINI-DKUMPPAJSA-N 2 1 333.436 -0.168 20 30 EBEDMP C[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCC#N ZINC001266645659 813631010 /nfs/dbraw/zinc/63/10/10/813631010.db2.gz FESVSPGFADBINI-DKUMPPAJSA-N 2 1 333.436 -0.168 20 30 EBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001081959683 813691783 /nfs/dbraw/zinc/69/17/83/813691783.db2.gz SHJSKAOJJBGOQP-DSZOFWSKSA-N 2 1 333.432 -0.312 20 30 EBEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001081959683 813691788 /nfs/dbraw/zinc/69/17/88/813691788.db2.gz SHJSKAOJJBGOQP-DSZOFWSKSA-N 2 1 333.432 -0.312 20 30 EBEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001081959683 813691794 /nfs/dbraw/zinc/69/17/94/813691794.db2.gz SHJSKAOJJBGOQP-DSZOFWSKSA-N 2 1 333.432 -0.312 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001267494316 813916435 /nfs/dbraw/zinc/91/64/35/813916435.db2.gz RLQHREUYTAXQRR-ZBFHGGJFSA-N 2 1 334.464 -0.096 20 30 EBEDMP C[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001267557280 813929457 /nfs/dbraw/zinc/92/94/57/813929457.db2.gz BJZCXAMNYRBIDK-CABCVRRESA-N 2 1 335.452 -0.061 20 30 EBEDMP C[NH+]1CCCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267557280 813929462 /nfs/dbraw/zinc/92/94/62/813929462.db2.gz BJZCXAMNYRBIDK-CABCVRRESA-N 2 1 335.452 -0.061 20 30 EBEDMP C[NH+]1CCCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267557280 813929467 /nfs/dbraw/zinc/92/94/67/813929467.db2.gz BJZCXAMNYRBIDK-CABCVRRESA-N 2 1 335.452 -0.061 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCN1CCNC1=O ZINC001268069283 814115447 /nfs/dbraw/zinc/11/54/47/814115447.db2.gz VMIRHIUCTOKCSL-GJZGRUSLSA-N 2 1 335.452 -0.454 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCN1CCNC1=O ZINC001268069283 814115451 /nfs/dbraw/zinc/11/54/51/814115451.db2.gz VMIRHIUCTOKCSL-GJZGRUSLSA-N 2 1 335.452 -0.454 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@H](O)Cn1cccn1 ZINC001268691038 814352719 /nfs/dbraw/zinc/35/27/19/814352719.db2.gz ZJVZYJTZBPHCEY-JYJNAYRXSA-N 2 1 333.436 -0.564 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@H](O)Cn1cccn1 ZINC001268691038 814352728 /nfs/dbraw/zinc/35/27/28/814352728.db2.gz ZJVZYJTZBPHCEY-JYJNAYRXSA-N 2 1 333.436 -0.564 20 30 EBEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001269148438 814553274 /nfs/dbraw/zinc/55/32/74/814553274.db2.gz CKSXEPQRGZKLNF-LSDHHAIUSA-N 2 1 335.452 -0.015 20 30 EBEDMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001269475981 814707083 /nfs/dbraw/zinc/70/70/83/814707083.db2.gz VZZVWJWTYTXOCL-CQSZACIVSA-N 2 1 335.452 -0.013 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001271854369 816230128 /nfs/dbraw/zinc/23/01/28/816230128.db2.gz SGWFWBABCCBKQC-IXDOHACOSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001271854369 816230136 /nfs/dbraw/zinc/23/01/36/816230136.db2.gz SGWFWBABCCBKQC-IXDOHACOSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001271854369 816230141 /nfs/dbraw/zinc/23/01/41/816230141.db2.gz SGWFWBABCCBKQC-IXDOHACOSA-N 2 1 346.475 -0.001 20 30 EBEDMP CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H](C[NH2+]CC#CCOC)C2)C1 ZINC001273359113 816653545 /nfs/dbraw/zinc/65/35/45/816653545.db2.gz SKPRPOAUUFMHGX-HOTGVXAUSA-N 2 1 339.436 -0.826 20 30 EBEDMP CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H](C[NH2+]CC#CCOC)C2)C1 ZINC001273359113 816653548 /nfs/dbraw/zinc/65/35/48/816653548.db2.gz SKPRPOAUUFMHGX-HOTGVXAUSA-N 2 1 339.436 -0.826 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001274267375 816914087 /nfs/dbraw/zinc/91/40/87/816914087.db2.gz ADHPDBKTPJXGJH-CABCVRRESA-N 2 1 338.452 -0.553 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCN(C)S(C)(=O)=O ZINC001274791418 817087609 /nfs/dbraw/zinc/08/76/09/817087609.db2.gz JDAMRPVATSIJNZ-KGLIPLIRSA-N 2 1 344.481 -0.930 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCN(C)S(C)(=O)=O ZINC001274791418 817087615 /nfs/dbraw/zinc/08/76/15/817087615.db2.gz JDAMRPVATSIJNZ-KGLIPLIRSA-N 2 1 344.481 -0.930 20 30 EBEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](O)C1 ZINC001090275057 817215453 /nfs/dbraw/zinc/21/54/53/817215453.db2.gz XXDFLZCYFLIDBQ-GDBMZVCRSA-N 2 1 333.436 -0.367 20 30 EBEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](O)C1 ZINC001090275057 817215458 /nfs/dbraw/zinc/21/54/58/817215458.db2.gz XXDFLZCYFLIDBQ-GDBMZVCRSA-N 2 1 333.436 -0.367 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)C[C@@H](O)COC)CC1 ZINC001276011133 817338232 /nfs/dbraw/zinc/33/82/32/817338232.db2.gz MADJNDGERNDWGI-GDBMZVCRSA-N 2 1 325.453 -0.225 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CCOCC1 ZINC001278728222 817799585 /nfs/dbraw/zinc/79/95/85/817799585.db2.gz GTRBFENKKVENFD-UHFFFAOYSA-N 2 1 347.419 -0.804 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001279687052 817970949 /nfs/dbraw/zinc/97/09/49/817970949.db2.gz DKSILJBLHAIJAU-OAHLLOKOSA-N 2 1 332.448 -0.032 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001279687052 817970958 /nfs/dbraw/zinc/97/09/58/817970958.db2.gz DKSILJBLHAIJAU-OAHLLOKOSA-N 2 1 332.448 -0.032 20 30 EBEDMP C[N@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CC(=O)NCC#N)CCCCC2)C1 ZINC001282627776 818469270 /nfs/dbraw/zinc/46/92/70/818469270.db2.gz XIMMUQJRVOXCEB-CQSZACIVSA-N 2 1 335.452 -0.013 20 30 EBEDMP C#CCC[NH+]1CC(N2C[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2=O)C1 ZINC001094806128 818494633 /nfs/dbraw/zinc/49/46/33/818494633.db2.gz IDFKIOJQEDJWKW-CQSZACIVSA-N 2 1 330.432 -0.493 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001283712808 818914192 /nfs/dbraw/zinc/91/41/92/818914192.db2.gz CSGNVRDZBNCQEW-OLZOCXBDSA-N 2 1 339.440 -0.614 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001283913083 819027803 /nfs/dbraw/zinc/02/78/03/819027803.db2.gz HYWMNJNAAPHVQH-LSDHHAIUSA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001098391850 819166216 /nfs/dbraw/zinc/16/62/16/819166216.db2.gz IJPGLLAJERHJOJ-KRWDZBQOSA-N 2 1 347.463 -0.268 20 30 EBEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001098391850 819166220 /nfs/dbraw/zinc/16/62/20/819166220.db2.gz IJPGLLAJERHJOJ-KRWDZBQOSA-N 2 1 347.463 -0.268 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1(C)C ZINC001284292878 819171860 /nfs/dbraw/zinc/17/18/60/819171860.db2.gz XNJLVDUZWUDVHX-HOTGVXAUSA-N 2 1 344.459 -0.340 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1(C)C ZINC001284292878 819171865 /nfs/dbraw/zinc/17/18/65/819171865.db2.gz XNJLVDUZWUDVHX-HOTGVXAUSA-N 2 1 344.459 -0.340 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NC(=O)NC)C1 ZINC001100415153 820410677 /nfs/dbraw/zinc/41/06/77/820410677.db2.gz AOTDQPPFZIHPOP-RUXDESIVSA-N 2 1 349.435 -0.976 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NC(=O)NC)C1 ZINC001100415153 820410680 /nfs/dbraw/zinc/41/06/80/820410680.db2.gz AOTDQPPFZIHPOP-RUXDESIVSA-N 2 1 349.435 -0.976 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267564 820742617 /nfs/dbraw/zinc/74/26/17/820742617.db2.gz JWGFTCJAVWGVGQ-SUMDDJOVSA-N 2 1 346.475 -0.144 20 30 EBEDMP C[NH+](C)CC1(C(=O)N2C[C@H]3C[N@H+](CC(=O)NCC#N)C[C@@]3(C)C2)CC1 ZINC001101343031 820759282 /nfs/dbraw/zinc/75/92/82/820759282.db2.gz ZOSNJKVWNMLPEL-PBHICJAKSA-N 2 1 347.463 -0.252 20 30 EBEDMP C[NH+](C)CC1(C(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@@]3(C)C2)CC1 ZINC001101343031 820759287 /nfs/dbraw/zinc/75/92/87/820759287.db2.gz ZOSNJKVWNMLPEL-PBHICJAKSA-N 2 1 347.463 -0.252 20 30 EBEDMP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101477297 820803760 /nfs/dbraw/zinc/80/37/60/820803760.db2.gz MWBMMOTUOHOFSB-PBHICJAKSA-N 2 1 335.452 -0.253 20 30 EBEDMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101477297 820803774 /nfs/dbraw/zinc/80/37/74/820803774.db2.gz MWBMMOTUOHOFSB-PBHICJAKSA-N 2 1 335.452 -0.253 20 30 EBEDMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101477297 820803785 /nfs/dbraw/zinc/80/37/85/820803785.db2.gz MWBMMOTUOHOFSB-PBHICJAKSA-N 2 1 335.452 -0.253 20 30 EBEDMP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101477297 820803796 /nfs/dbraw/zinc/80/37/96/820803796.db2.gz MWBMMOTUOHOFSB-PBHICJAKSA-N 2 1 335.452 -0.253 20 30 EBEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001105244279 821643463 /nfs/dbraw/zinc/64/34/63/821643463.db2.gz UOAQSCZUGFVYNB-ZBFHGGJFSA-N 2 1 346.435 -0.200 20 30 EBEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001105244279 821643469 /nfs/dbraw/zinc/64/34/69/821643469.db2.gz UOAQSCZUGFVYNB-ZBFHGGJFSA-N 2 1 346.435 -0.200 20 30 EBEDMP C[NH+]1CCC(OCC(=O)NCCC[NH+]2CCN(CC#N)CC2)CC1 ZINC001316960553 821941518 /nfs/dbraw/zinc/94/15/18/821941518.db2.gz RVUIGTMOOIIVEM-UHFFFAOYSA-N 2 1 337.468 -0.255 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001317059969 821989055 /nfs/dbraw/zinc/98/90/55/821989055.db2.gz SWKGEKNYRWGMGG-HOTGVXAUSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001317059969 821989059 /nfs/dbraw/zinc/98/90/59/821989059.db2.gz SWKGEKNYRWGMGG-HOTGVXAUSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001317097343 822001600 /nfs/dbraw/zinc/00/16/00/822001600.db2.gz SPEDURLJRJAUFF-TUVASFSCSA-N 2 1 336.436 -0.918 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001317097343 822001606 /nfs/dbraw/zinc/00/16/06/822001606.db2.gz SPEDURLJRJAUFF-TUVASFSCSA-N 2 1 336.436 -0.918 20 30 EBEDMP C#CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001317294899 822071390 /nfs/dbraw/zinc/07/13/90/822071390.db2.gz APCVWKODLJJAQK-JKSUJKDBSA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001317341605 822088158 /nfs/dbraw/zinc/08/81/58/822088158.db2.gz BDSOHIZFNQKRIX-DZGCQCFKSA-N 2 1 331.420 -0.232 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001317663249 822197130 /nfs/dbraw/zinc/19/71/30/822197130.db2.gz DMHDGNVKTDVFSR-KGLIPLIRSA-N 2 1 326.441 -0.554 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001317663249 822197133 /nfs/dbraw/zinc/19/71/33/822197133.db2.gz DMHDGNVKTDVFSR-KGLIPLIRSA-N 2 1 326.441 -0.554 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106321930 822246914 /nfs/dbraw/zinc/24/69/14/822246914.db2.gz HUNJHUWBTVESHK-BZUAXINKSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106874438 822345781 /nfs/dbraw/zinc/34/57/81/822345781.db2.gz IGMBFHNQTCMCBS-BZUAXINKSA-N 2 1 334.464 -0.238 20 30 EBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385069 828610015 /nfs/dbraw/zinc/61/00/15/828610015.db2.gz GKISMMZKPMDRAT-CABCVRRESA-N 2 1 334.424 -0.779 20 30 EBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1=O ZINC001129386925 828610756 /nfs/dbraw/zinc/61/07/56/828610756.db2.gz QUJHBEQHPWYBHB-HUUCEWRRSA-N 2 1 348.451 -0.694 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCNS(=O)(=O)CC ZINC001129770574 828666386 /nfs/dbraw/zinc/66/63/86/828666386.db2.gz JDMMORDJXYPFHX-AWEZNQCLSA-N 2 1 344.481 -0.881 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCNS(=O)(=O)CC ZINC001129770574 828666391 /nfs/dbraw/zinc/66/63/91/828666391.db2.gz JDMMORDJXYPFHX-AWEZNQCLSA-N 2 1 344.481 -0.881 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001129770843 828667386 /nfs/dbraw/zinc/66/73/86/828667386.db2.gz LOOKZZNXJSEVRF-CABCVRRESA-N 2 1 336.436 -0.915 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001129770843 828667389 /nfs/dbraw/zinc/66/73/89/828667389.db2.gz LOOKZZNXJSEVRF-CABCVRRESA-N 2 1 336.436 -0.915 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112160137 825394836 /nfs/dbraw/zinc/39/48/36/825394836.db2.gz UKVZEMJZNBTIMA-VXGBXAGGSA-N 2 1 348.369 -0.334 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115123660 826427892 /nfs/dbraw/zinc/42/78/92/826427892.db2.gz UDONFHOBKPZSMK-BYNSBNAKSA-N 2 1 330.432 -0.734 20 30 EBEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241093 826465902 /nfs/dbraw/zinc/46/59/02/826465902.db2.gz BLFQKTSHODIPKL-HWWDLCQESA-N 2 1 347.463 -0.109 20 30 EBEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241093 826465910 /nfs/dbraw/zinc/46/59/10/826465910.db2.gz BLFQKTSHODIPKL-HWWDLCQESA-N 2 1 347.463 -0.109 20 30 EBEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001115245432 826471062 /nfs/dbraw/zinc/47/10/62/826471062.db2.gz QQNQVBMMFFVKMC-MWDXBVQZSA-N 2 1 335.448 -0.349 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCCC)C[C@H]32)CC1 ZINC001115290675 826496165 /nfs/dbraw/zinc/49/61/65/826496165.db2.gz YNFNGTPKSAPMOI-VQFNDLOPSA-N 2 1 346.475 -0.096 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCCC)C[C@H]32)CC1 ZINC001115290675 826496172 /nfs/dbraw/zinc/49/61/72/826496172.db2.gz YNFNGTPKSAPMOI-VQFNDLOPSA-N 2 1 346.475 -0.096 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N(C)CC)C[C@H]32)CC1 ZINC001115290496 826496401 /nfs/dbraw/zinc/49/64/01/826496401.db2.gz VBQPHRDAESSEBN-VQFNDLOPSA-N 2 1 346.475 -0.144 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001122178083 827537728 /nfs/dbraw/zinc/53/77/28/827537728.db2.gz UIAAISUUSQYYNV-UHFFFAOYSA-N 2 1 343.431 -0.042 20 30 EBEDMP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[N@H+](C)C3)n2)O1 ZINC001130817528 828946641 /nfs/dbraw/zinc/94/66/41/828946641.db2.gz RERCJUDXOJVJST-MELADBBJSA-N 2 1 346.435 -0.185 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001185199732 833349728 /nfs/dbraw/zinc/34/97/28/833349728.db2.gz OGILSHOKWIKNNO-LSDHHAIUSA-N 2 1 343.431 -0.306 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132852143 829536253 /nfs/dbraw/zinc/53/62/53/829536253.db2.gz IKVMYUDHXBFOAJ-ZIAGYGMSSA-N 2 1 326.441 -0.508 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133833972 829681389 /nfs/dbraw/zinc/68/13/89/829681389.db2.gz KWISKDULUSBGLW-STQMWFEESA-N 2 1 339.440 -0.423 20 30 EBEDMP C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CC[NH+]1CCOCC1 ZINC001135676142 830004156 /nfs/dbraw/zinc/00/41/56/830004156.db2.gz QXNANULVQBNLPH-UONOGXRCSA-N 2 1 339.440 -0.779 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147225698 830304618 /nfs/dbraw/zinc/30/46/18/830304618.db2.gz SWMBDGIXFLPSPH-CABCVRRESA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001147225698 830304628 /nfs/dbraw/zinc/30/46/28/830304628.db2.gz SWMBDGIXFLPSPH-CABCVRRESA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001147225698 830304636 /nfs/dbraw/zinc/30/46/36/830304636.db2.gz SWMBDGIXFLPSPH-CABCVRRESA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147724231 830401066 /nfs/dbraw/zinc/40/10/66/830401066.db2.gz ICJBCLIYDTVBHG-HOCLYGCPSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@@H](O)COC)C2 ZINC001147737374 830403943 /nfs/dbraw/zinc/40/39/43/830403943.db2.gz VZMUKZWKVFTENH-CVEARBPZSA-N 2 1 335.448 -0.374 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@@H](O)COC)C2 ZINC001147737374 830403946 /nfs/dbraw/zinc/40/39/46/830403946.db2.gz VZMUKZWKVFTENH-CVEARBPZSA-N 2 1 335.448 -0.374 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](O)COC)C2 ZINC001147737374 830403948 /nfs/dbraw/zinc/40/39/48/830403948.db2.gz VZMUKZWKVFTENH-CVEARBPZSA-N 2 1 335.448 -0.374 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](O)COC)C2 ZINC001147737374 830403953 /nfs/dbraw/zinc/40/39/53/830403953.db2.gz VZMUKZWKVFTENH-CVEARBPZSA-N 2 1 335.448 -0.374 20 30 EBEDMP C[NH+]1CCC(CC(=O)N2CC3(C2)CC[N@H+](CC(=O)NCC#N)C3)CC1 ZINC001148386278 830479582 /nfs/dbraw/zinc/47/95/82/830479582.db2.gz UBUIXLCKUFVCKB-UHFFFAOYSA-N 2 1 347.463 -0.108 20 30 EBEDMP C[NH+]1CCC(CC(=O)N2CC3(C2)CC[N@@H+](CC(=O)NCC#N)C3)CC1 ZINC001148386278 830479586 /nfs/dbraw/zinc/47/95/86/830479586.db2.gz UBUIXLCKUFVCKB-UHFFFAOYSA-N 2 1 347.463 -0.108 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148748426 830535979 /nfs/dbraw/zinc/53/59/79/830535979.db2.gz SCOPMQCTRAFPAE-GJZGRUSLSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001148748426 830535985 /nfs/dbraw/zinc/53/59/85/830535985.db2.gz SCOPMQCTRAFPAE-GJZGRUSLSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148748426 830535993 /nfs/dbraw/zinc/53/59/93/830535993.db2.gz SCOPMQCTRAFPAE-GJZGRUSLSA-N 2 1 332.448 -0.390 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240284 830845367 /nfs/dbraw/zinc/84/53/67/830845367.db2.gz DTXHFXMUHRDBQC-HUUCEWRRSA-N 2 1 340.468 -0.164 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240284 830845374 /nfs/dbraw/zinc/84/53/74/830845374.db2.gz DTXHFXMUHRDBQC-HUUCEWRRSA-N 2 1 340.468 -0.164 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC#Cc2ccccc2)C1 ZINC001151048726 831015118 /nfs/dbraw/zinc/01/51/18/831015118.db2.gz DXBNKAFCHZUVGY-KRWDZBQOSA-N 2 1 342.443 -0.188 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151073930 831022066 /nfs/dbraw/zinc/02/20/66/831022066.db2.gz SPTANQJNEAPSMR-RYUDHWBXSA-N 2 1 325.413 -0.956 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001159627767 831767836 /nfs/dbraw/zinc/76/78/36/831767836.db2.gz AGVPWBAYRKQEIM-INIZCTEOSA-N 2 1 332.448 -0.032 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001159627767 831767840 /nfs/dbraw/zinc/76/78/40/831767840.db2.gz AGVPWBAYRKQEIM-INIZCTEOSA-N 2 1 332.448 -0.032 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001159627767 831767848 /nfs/dbraw/zinc/76/78/48/831767848.db2.gz AGVPWBAYRKQEIM-INIZCTEOSA-N 2 1 332.448 -0.032 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001159627767 831767858 /nfs/dbraw/zinc/76/78/58/831767858.db2.gz AGVPWBAYRKQEIM-INIZCTEOSA-N 2 1 332.448 -0.032 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161041826 831916133 /nfs/dbraw/zinc/91/61/33/831916133.db2.gz MPIRICKGJQZFKH-ZDUSSCGKSA-N 2 1 339.440 -0.422 20 30 EBEDMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC1=CC[NH+](CC(=O)NCC#N)CC1 ZINC001161205829 831937830 /nfs/dbraw/zinc/93/78/30/831937830.db2.gz HGLUYEHWESMVGB-HOCLYGCPSA-N 2 1 347.463 -0.038 20 30 EBEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC1=CC[NH+](CC(=O)NCC#N)CC1 ZINC001161205829 831937834 /nfs/dbraw/zinc/93/78/34/831937834.db2.gz HGLUYEHWESMVGB-HOCLYGCPSA-N 2 1 347.463 -0.038 20 30 EBEDMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)NCCC1=CC[N@H+](CC(=O)NCC#N)CC1 ZINC001161205829 831937838 /nfs/dbraw/zinc/93/78/38/831937838.db2.gz HGLUYEHWESMVGB-HOCLYGCPSA-N 2 1 347.463 -0.038 20 30 EBEDMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)NCCC1=CC[N@@H+](CC(=O)NCC#N)CC1 ZINC001161205829 831937842 /nfs/dbraw/zinc/93/78/42/831937842.db2.gz HGLUYEHWESMVGB-HOCLYGCPSA-N 2 1 347.463 -0.038 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC=C(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001161716767 831986668 /nfs/dbraw/zinc/98/66/68/831986668.db2.gz YGKSNPQLXLUNGI-UHFFFAOYSA-N 2 1 344.459 -0.030 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC=C(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001161716767 831986672 /nfs/dbraw/zinc/98/66/72/831986672.db2.gz YGKSNPQLXLUNGI-UHFFFAOYSA-N 2 1 344.459 -0.030 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cn1c[nH+]cc1C ZINC001162627909 832057029 /nfs/dbraw/zinc/05/70/29/832057029.db2.gz NDCSIVLMEFEWMW-UHFFFAOYSA-N 2 1 336.396 -0.701 20 30 EBEDMP Cc1[nH+]cc2n1C[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)CC2 ZINC001165270846 832209871 /nfs/dbraw/zinc/20/98/71/832209871.db2.gz HXHCGMREHVCKQO-CYBMUJFWSA-N 2 1 332.408 -0.510 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001165278803 832210969 /nfs/dbraw/zinc/21/09/69/832210969.db2.gz XCEBXIJZTSQWLG-HIFRSBDPSA-N 2 1 345.447 -0.012 20 30 EBEDMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001166687012 832279819 /nfs/dbraw/zinc/27/98/19/832279819.db2.gz GUYOWMZAVLJJIM-INIZCTEOSA-N 2 1 341.431 -0.065 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001167237215 832319159 /nfs/dbraw/zinc/31/91/59/832319159.db2.gz XHQGIEFWDPUYCT-HUUCEWRRSA-N 2 1 334.464 -0.190 20 30 EBEDMP C[N@H+]1CC[C@H](CC(=O)NCCC2(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001167736738 832369354 /nfs/dbraw/zinc/36/93/54/832369354.db2.gz IIRBNWNBESRHCR-CQSZACIVSA-N 2 1 335.452 -0.156 20 30 EBEDMP C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001169982496 832487362 /nfs/dbraw/zinc/48/73/62/832487362.db2.gz LPPMAEMEZNBDHM-KGLIPLIRSA-N 2 1 339.440 -0.779 20 30 EBEDMP C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001169982496 832487367 /nfs/dbraw/zinc/48/73/67/832487367.db2.gz LPPMAEMEZNBDHM-KGLIPLIRSA-N 2 1 339.440 -0.779 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001354470779 832490785 /nfs/dbraw/zinc/49/07/85/832490785.db2.gz IGPBDYGHAILZTL-ZBFHGGJFSA-N 2 1 334.464 -0.096 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176096542 832657365 /nfs/dbraw/zinc/65/73/65/832657365.db2.gz UXZVVSZIFSGWRZ-QWHCGFSZSA-N 2 1 339.440 -0.566 20 30 EBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190435519 834268059 /nfs/dbraw/zinc/26/80/59/834268059.db2.gz FYQDKELXRWGPQX-LSDHHAIUSA-N 2 1 340.443 -0.052 20 30 EBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190435519 834268066 /nfs/dbraw/zinc/26/80/66/834268066.db2.gz FYQDKELXRWGPQX-LSDHHAIUSA-N 2 1 340.443 -0.052 20 30 EBEDMP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190643462 834308541 /nfs/dbraw/zinc/30/85/41/834308541.db2.gz BXUGJQGOMBZHOD-IAGOWNOFSA-N 2 1 347.463 -0.004 20 30 EBEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190643462 834308551 /nfs/dbraw/zinc/30/85/51/834308551.db2.gz BXUGJQGOMBZHOD-IAGOWNOFSA-N 2 1 347.463 -0.004 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488508 834889803 /nfs/dbraw/zinc/88/98/03/834889803.db2.gz OFIDZXJVDKFDJS-GJZGRUSLSA-N 2 1 338.452 -0.765 20 30 EBEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200182340 835926325 /nfs/dbraw/zinc/92/63/25/835926325.db2.gz QECHSDVCFDOZDD-CVEARBPZSA-N 2 1 341.452 -0.273 20 30 EBEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200182340 835926328 /nfs/dbraw/zinc/92/63/28/835926328.db2.gz QECHSDVCFDOZDD-CVEARBPZSA-N 2 1 341.452 -0.273 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NCC=C)CC1 ZINC001201093913 836092765 /nfs/dbraw/zinc/09/27/65/836092765.db2.gz IYXOIKPODPJOQE-INIZCTEOSA-N 2 1 332.448 -0.033 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NCC=C)CC1 ZINC001201093913 836092771 /nfs/dbraw/zinc/09/27/71/836092771.db2.gz IYXOIKPODPJOQE-INIZCTEOSA-N 2 1 332.448 -0.033 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001203168067 836403662 /nfs/dbraw/zinc/40/36/62/836403662.db2.gz JGPWFWRHOVROID-LSDHHAIUSA-N 2 1 343.431 -0.042 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001206928915 836715341 /nfs/dbraw/zinc/71/53/41/836715341.db2.gz MZENMHIEINLSMP-GDBMZVCRSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001206928918 836715593 /nfs/dbraw/zinc/71/55/93/836715593.db2.gz MZENMHIEINLSMP-ZBFHGGJFSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCC1CCOCC1 ZINC001320233877 838718702 /nfs/dbraw/zinc/71/87/02/838718702.db2.gz JCINDLLJFBRHIL-IRXDYDNUSA-N 2 1 337.464 -0.033 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCC1CCOCC1 ZINC001320233877 838718709 /nfs/dbraw/zinc/71/87/09/838718709.db2.gz JCINDLLJFBRHIL-IRXDYDNUSA-N 2 1 337.464 -0.033 20 30 EBEDMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N)CC2 ZINC001321211795 838937204 /nfs/dbraw/zinc/93/72/04/838937204.db2.gz SAHKMDPQJPQTDL-SFAKSCPVSA-N 2 1 344.419 -0.344 20 30 EBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001322947847 839303753 /nfs/dbraw/zinc/30/37/53/839303753.db2.gz ZHMRXYAIAHPMAM-HNNXBMFYSA-N 2 1 337.468 -0.885 20 30 EBEDMP C#CCC[NH2+]C1CCN(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001325819421 839945362 /nfs/dbraw/zinc/94/53/62/839945362.db2.gz VRRVNYFGOUOGLQ-KRWDZBQOSA-N 2 1 336.480 -0.099 20 30 EBEDMP C#CCC[NH2+]C1CCN(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001325819421 839945370 /nfs/dbraw/zinc/94/53/70/839945370.db2.gz VRRVNYFGOUOGLQ-KRWDZBQOSA-N 2 1 336.480 -0.099 20 30 EBEDMP COCC#CC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001327593685 840468697 /nfs/dbraw/zinc/46/86/97/840468697.db2.gz YZYNLWQIRCKUPR-WMZOPIPTSA-N 2 1 337.464 -0.079 20 30 EBEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001330605648 841244722 /nfs/dbraw/zinc/24/47/22/841244722.db2.gz SBTZEUSGHOIVGJ-KKUMJFAQSA-N 2 1 335.452 -0.015 20 30 EBEDMP COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001331802905 841503776 /nfs/dbraw/zinc/50/37/76/841503776.db2.gz FLEHVZNUMBXVSR-CVEARBPZSA-N 2 1 325.453 -0.034 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(NC(=O)Cc3cncn3C)CCC[C@@H]12 ZINC001332109701 841575487 /nfs/dbraw/zinc/57/54/87/841575487.db2.gz GUEDTYWGXXWXIA-QAPCUYQASA-N 2 1 343.431 -0.175 20 30 EBEDMP C#CCNC(=O)CN1CC[C@@]2(NC(=O)Cc3cncn3C)CCC[C@@H]12 ZINC001332109701 841575494 /nfs/dbraw/zinc/57/54/94/841575494.db2.gz GUEDTYWGXXWXIA-QAPCUYQASA-N 2 1 343.431 -0.175 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)[C@@H](CC)[NH+](C)C ZINC001337701972 842670046 /nfs/dbraw/zinc/67/00/46/842670046.db2.gz CPJQWLLATFVJMK-KFWWJZLASA-N 2 1 338.452 -0.983 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)[C@@H](CC)[NH+](C)C ZINC001337701972 842670055 /nfs/dbraw/zinc/67/00/55/842670055.db2.gz CPJQWLLATFVJMK-KFWWJZLASA-N 2 1 338.452 -0.983 20 30 EBEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(=O)NCC#N)CC2)CC1 ZINC001346469307 843521550 /nfs/dbraw/zinc/52/15/50/843521550.db2.gz KEHLTUWCCOULFR-UHFFFAOYSA-N 2 1 335.452 -0.061 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001480947124 1125889107 /nfs/dbraw/zinc/88/91/07/1125889107.db2.gz JAKVAKAOPVZCSF-STQMWFEESA-N 2 1 339.440 -0.614 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001480947124 1125889108 /nfs/dbraw/zinc/88/91/08/1125889108.db2.gz JAKVAKAOPVZCSF-STQMWFEESA-N 2 1 339.440 -0.614 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001480947124 1125889109 /nfs/dbraw/zinc/88/91/09/1125889109.db2.gz JAKVAKAOPVZCSF-STQMWFEESA-N 2 1 339.440 -0.614 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001480947124 1125889110 /nfs/dbraw/zinc/88/91/10/1125889110.db2.gz JAKVAKAOPVZCSF-STQMWFEESA-N 2 1 339.440 -0.614 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)[C@@H]2CCC(=O)NC2=O)CC1 ZINC001480951284 1125891719 /nfs/dbraw/zinc/89/17/19/1125891719.db2.gz VOLLVAKLIGKLCG-CQSZACIVSA-N 2 1 334.420 -0.815 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)[C@@H]2CCC(=O)NC2=O)CC1 ZINC001480951284 1125891721 /nfs/dbraw/zinc/89/17/21/1125891721.db2.gz VOLLVAKLIGKLCG-CQSZACIVSA-N 2 1 334.420 -0.815 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001481092878 1125920019 /nfs/dbraw/zinc/92/00/19/1125920019.db2.gz QLIJWJMRBJECMF-ZBFHGGJFSA-N 2 1 332.448 -0.484 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001482246336 1126112284 /nfs/dbraw/zinc/11/22/84/1126112284.db2.gz IUGZLGUVXZZTCX-OAHLLOKOSA-N 2 1 332.448 -0.388 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001482246336 1126112285 /nfs/dbraw/zinc/11/22/85/1126112285.db2.gz IUGZLGUVXZZTCX-OAHLLOKOSA-N 2 1 332.448 -0.388 20 30 EBEDMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[NH+](CC(=O)NCC#N)C[C@@H]3C2)C1 ZINC001484413987 1126571612 /nfs/dbraw/zinc/57/16/12/1126571612.db2.gz YLIVLLXLONOJOI-KFWWJZLASA-N 2 1 333.436 -0.642 20 30 EBEDMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[N@@H+](CC(=O)NCC#N)C[C@@H]3C2)C1 ZINC001484413987 1126571613 /nfs/dbraw/zinc/57/16/13/1126571613.db2.gz YLIVLLXLONOJOI-KFWWJZLASA-N 2 1 333.436 -0.642 20 30 EBEDMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[N@H+](CC(=O)NCC#N)C[C@@H]3C2)C1 ZINC001484413987 1126571614 /nfs/dbraw/zinc/57/16/14/1126571614.db2.gz YLIVLLXLONOJOI-KFWWJZLASA-N 2 1 333.436 -0.642 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001484414837 1126571799 /nfs/dbraw/zinc/57/17/99/1126571799.db2.gz DHHMGWWQHXZSCH-YHUYYLMFSA-N 2 1 332.448 -0.534 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001484414837 1126571801 /nfs/dbraw/zinc/57/18/01/1126571801.db2.gz DHHMGWWQHXZSCH-YHUYYLMFSA-N 2 1 332.448 -0.534 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001484414837 1126571803 /nfs/dbraw/zinc/57/18/03/1126571803.db2.gz DHHMGWWQHXZSCH-YHUYYLMFSA-N 2 1 332.448 -0.534 20 30 EBEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001484512279 1126600327 /nfs/dbraw/zinc/60/03/27/1126600327.db2.gz QZBIBKCRPWHOMA-HUUCEWRRSA-N 2 1 338.452 -0.553 20 30 EBEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001484512279 1126600329 /nfs/dbraw/zinc/60/03/29/1126600329.db2.gz QZBIBKCRPWHOMA-HUUCEWRRSA-N 2 1 338.452 -0.553 20 30 EBEDMP COCC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001484704866 1126623864 /nfs/dbraw/zinc/62/38/64/1126623864.db2.gz QUSTWRSOOHYDKR-MSOLQXFVSA-N 2 1 348.491 -0.194 20 30 EBEDMP COCC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001484704866 1126623867 /nfs/dbraw/zinc/62/38/67/1126623867.db2.gz QUSTWRSOOHYDKR-MSOLQXFVSA-N 2 1 348.491 -0.194 20 30 EBEDMP C[N@@H+](CC(=O)NCC#N)C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001485079416 1126671953 /nfs/dbraw/zinc/67/19/53/1126671953.db2.gz YOLBXPAGXOKMPA-CQSZACIVSA-N 2 1 333.436 -0.355 20 30 EBEDMP C[N@H+](CC(=O)NCC#N)C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001485079416 1126671954 /nfs/dbraw/zinc/67/19/54/1126671954.db2.gz YOLBXPAGXOKMPA-CQSZACIVSA-N 2 1 333.436 -0.355 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001485648814 1126777051 /nfs/dbraw/zinc/77/70/51/1126777051.db2.gz CESZEXBCQBPDFO-HUUCEWRRSA-N 2 1 338.452 -0.719 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCc1ccnn1C ZINC001486004040 1126977817 /nfs/dbraw/zinc/97/78/17/1126977817.db2.gz DWFLAQPWORTQAM-ZBFHGGJFSA-N 2 1 333.436 -0.873 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCc1ccnn1C ZINC001486004040 1126977822 /nfs/dbraw/zinc/97/78/22/1126977822.db2.gz DWFLAQPWORTQAM-ZBFHGGJFSA-N 2 1 333.436 -0.873 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001091748213 1128151991 /nfs/dbraw/zinc/15/19/91/1128151991.db2.gz FZXUBERABBIENE-GJYPPUQNSA-N 2 1 346.475 -0.048 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001091748213 1128151992 /nfs/dbraw/zinc/15/19/92/1128151992.db2.gz FZXUBERABBIENE-GJYPPUQNSA-N 2 1 346.475 -0.048 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001091748213 1128151994 /nfs/dbraw/zinc/15/19/94/1128151994.db2.gz FZXUBERABBIENE-GJYPPUQNSA-N 2 1 346.475 -0.048 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001091748213 1128151995 /nfs/dbraw/zinc/15/19/95/1128151995.db2.gz FZXUBERABBIENE-GJYPPUQNSA-N 2 1 346.475 -0.048 20 30 EBEDMP COCC#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[N@H+](C)C(C)C)n1 ZINC001489083140 1128908737 /nfs/dbraw/zinc/90/87/37/1128908737.db2.gz ZSFABHSZAQERIT-UHFFFAOYSA-N 2 1 349.435 -0.122 20 30 EBEDMP COCC#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001489083140 1128908741 /nfs/dbraw/zinc/90/87/41/1128908741.db2.gz ZSFABHSZAQERIT-UHFFFAOYSA-N 2 1 349.435 -0.122 20 30 EBEDMP N#CCNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001490605308 1129234993 /nfs/dbraw/zinc/23/49/93/1129234993.db2.gz AVQJKVDIKPHWAT-CQSZACIVSA-N 2 1 345.447 -0.307 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001490852663 1129685346 /nfs/dbraw/zinc/68/53/46/1129685346.db2.gz SADASUYYFAHKJW-ZDUSSCGKSA-N 2 1 339.440 -0.470 20 30 EBEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[C@](O)(CC#N)C2)C1 ZINC000592148682 377798604 /nfs/dbraw/zinc/79/86/04/377798604.db2.gz ZCRXQYKSKBBYQX-DOTOQJQBSA-N 2 1 338.452 -0.190 20 30 EBEDMP CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[C@](O)(CC#N)C2)C1 ZINC000592148682 377798614 /nfs/dbraw/zinc/79/86/14/377798614.db2.gz ZCRXQYKSKBBYQX-DOTOQJQBSA-N 2 1 338.452 -0.190 20 30 EBEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000262537640 379235695 /nfs/dbraw/zinc/23/56/95/379235695.db2.gz QDRSAVYTTBZFDS-CQSZACIVSA-N 2 1 332.456 -0.841 20 30 EBEDMP CC[NH+]=C(NC[C@@H](C)[NH+](C)C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261861475 379223631 /nfs/dbraw/zinc/22/36/31/379223631.db2.gz YLZCWZHVFKWFNG-CYBMUJFWSA-N 2 1 335.456 -0.016 20 30 EBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCn2ncc(C(N)=O)c2C1 ZINC000280043905 379968668 /nfs/dbraw/zinc/96/86/68/379968668.db2.gz RANYTWVTDLKBNO-STQMWFEESA-N 2 1 347.467 -0.067 20 30 EBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCn2ncc(C(N)=O)c2C1 ZINC000280043902 379969031 /nfs/dbraw/zinc/96/90/31/379969031.db2.gz RANYTWVTDLKBNO-OLZOCXBDSA-N 2 1 347.467 -0.067 20 30 EBEDMP COCC1(O)CC[NH+](CC#CC[NH+]2CCC(O)(COC)CC2)CC1 ZINC000341910028 380743781 /nfs/dbraw/zinc/74/37/81/380743781.db2.gz QDKLWIWSGCKQNL-UHFFFAOYSA-N 2 1 340.464 -0.064 20 30 EBEDMP C[N@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)N1CC[NH+](C)CC1 ZINC000549136695 583000741 /nfs/dbraw/zinc/00/07/41/583000741.db2.gz CENVHNGJQMBRFE-UHFFFAOYSA-N 2 1 333.440 -0.108 20 30 EBEDMP C[N@@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)N1CC[NH+](C)CC1 ZINC000549136695 583000743 /nfs/dbraw/zinc/00/07/43/583000743.db2.gz CENVHNGJQMBRFE-UHFFFAOYSA-N 2 1 333.440 -0.108 20 30 EBEDMP C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000874382921 584481994 /nfs/dbraw/zinc/48/19/94/584481994.db2.gz NMFDCQHAPXPDAN-HZPDHXFCSA-N 2 1 348.447 -0.867 20 30 EBEDMP C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000874382920 584482284 /nfs/dbraw/zinc/48/22/84/584482284.db2.gz NMFDCQHAPXPDAN-HOTGVXAUSA-N 2 1 348.447 -0.867 20 30 EBEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000876767816 584522768 /nfs/dbraw/zinc/52/27/68/584522768.db2.gz CPVXGGCOLJKPIP-ZIAGYGMSSA-N 2 1 330.860 -0.021 20 30 EBEDMP C#CCN1CCC[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)C1 ZINC000890362623 584694287 /nfs/dbraw/zinc/69/42/87/584694287.db2.gz FUWUARDAMLODQJ-CABCVRRESA-N 2 1 336.436 -0.170 20 30 EBEDMP C#CCN1CCC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)C1 ZINC000890362626 584694346 /nfs/dbraw/zinc/69/43/46/584694346.db2.gz FUWUARDAMLODQJ-HUUCEWRRSA-N 2 1 336.436 -0.170 20 30 EBEDMP C[NH+]=C(NCc1nnc(C)n1C)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000261940160 649985601 /nfs/dbraw/zinc/98/56/01/649985601.db2.gz DKFUPTXFUBYIAX-AWEZNQCLSA-N 2 1 335.456 -0.147 20 30 EBEDMP C[NH+]=C(NCCN1CCCS1(=O)=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261997416 649986176 /nfs/dbraw/zinc/98/61/76/649986176.db2.gz STFJSCRJBANFGW-TZMCWYRMSA-N 2 1 343.497 -0.330 20 30 EBEDMP C[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)C[NH+]1CCOCC1 ZINC000304754441 649994041 /nfs/dbraw/zinc/99/40/41/649994041.db2.gz LWQSJNYOCWRSLB-HNNXBMFYSA-N 2 1 327.473 -0.419 20 30 EBEDMP C#CCN(C(=O)NC1CC[NH+](CC(=O)NC)CC1)C1CC[NH+](C)CC1 ZINC000914116882 650252046 /nfs/dbraw/zinc/25/20/46/650252046.db2.gz YGPDMOPWFQBGQD-UHFFFAOYSA-N 2 1 349.479 -0.064 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC000960353514 722822680 /nfs/dbraw/zinc/82/26/80/722822680.db2.gz WCHYQJCDYFVKJX-XUWVNRHRSA-N 2 1 345.447 -0.844 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC000960353514 722822681 /nfs/dbraw/zinc/82/26/81/722822681.db2.gz WCHYQJCDYFVKJX-XUWVNRHRSA-N 2 1 345.447 -0.844 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC000960353514 722822683 /nfs/dbraw/zinc/82/26/83/722822683.db2.gz WCHYQJCDYFVKJX-XUWVNRHRSA-N 2 1 345.447 -0.844 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC000960353514 722822684 /nfs/dbraw/zinc/82/26/84/722822684.db2.gz WCHYQJCDYFVKJX-XUWVNRHRSA-N 2 1 345.447 -0.844 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2nncn2C)C1 ZINC000961938985 723126136 /nfs/dbraw/zinc/12/61/36/723126136.db2.gz WHHQJIQOYHZKSG-NRXISQOPSA-N 2 1 330.436 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2nncn2C)C1 ZINC000961938985 723126139 /nfs/dbraw/zinc/12/61/39/723126139.db2.gz WHHQJIQOYHZKSG-NRXISQOPSA-N 2 1 330.436 -0.103 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](CC)C(N)=O)C[C@H]32)CC1 ZINC000962759631 723320024 /nfs/dbraw/zinc/32/00/24/723320024.db2.gz CEAVMNNJPBWDQM-QXSJWSMHSA-N 2 1 332.448 -0.358 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000974152217 725888378 /nfs/dbraw/zinc/88/83/78/725888378.db2.gz ZBSPKDOUHVHZNN-JONQDZQNSA-N 2 1 332.448 -0.201 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000974152217 725888379 /nfs/dbraw/zinc/88/83/79/725888379.db2.gz ZBSPKDOUHVHZNN-JONQDZQNSA-N 2 1 332.448 -0.201 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000974152217 725888382 /nfs/dbraw/zinc/88/83/82/725888382.db2.gz ZBSPKDOUHVHZNN-JONQDZQNSA-N 2 1 332.448 -0.201 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000974152217 725888385 /nfs/dbraw/zinc/88/83/85/725888385.db2.gz ZBSPKDOUHVHZNN-JONQDZQNSA-N 2 1 332.448 -0.201 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000974265502 725924311 /nfs/dbraw/zinc/92/43/11/725924311.db2.gz NHBVZOOHIFHXKI-XHSDSOJGSA-N 2 1 344.459 -0.057 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000974265502 725924314 /nfs/dbraw/zinc/92/43/14/725924314.db2.gz NHBVZOOHIFHXKI-XHSDSOJGSA-N 2 1 344.459 -0.057 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000994750356 726071676 /nfs/dbraw/zinc/07/16/76/726071676.db2.gz HWPYGIOTXIXSHH-JKSUJKDBSA-N 2 1 334.464 -0.003 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000994750356 726071678 /nfs/dbraw/zinc/07/16/78/726071678.db2.gz HWPYGIOTXIXSHH-JKSUJKDBSA-N 2 1 334.464 -0.003 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000994752291 726072936 /nfs/dbraw/zinc/07/29/36/726072936.db2.gz QZXBNMVVPCGGQE-INIZCTEOSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000994752291 726072940 /nfs/dbraw/zinc/07/29/40/726072940.db2.gz QZXBNMVVPCGGQE-INIZCTEOSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000994754300 726074170 /nfs/dbraw/zinc/07/41/70/726074170.db2.gz KSWFCGNJCFXBLG-ZBFHGGJFSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000994754300 726074173 /nfs/dbraw/zinc/07/41/73/726074173.db2.gz KSWFCGNJCFXBLG-ZBFHGGJFSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC000994754300 726074175 /nfs/dbraw/zinc/07/41/75/726074175.db2.gz KSWFCGNJCFXBLG-ZBFHGGJFSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC000994754300 726074177 /nfs/dbraw/zinc/07/41/77/726074177.db2.gz KSWFCGNJCFXBLG-ZBFHGGJFSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnnn2C)CC1 ZINC000997830961 726466839 /nfs/dbraw/zinc/46/68/39/726466839.db2.gz FDMOAYLVELWHTR-HNNXBMFYSA-N 2 1 345.451 -0.364 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnnn2C)CC1 ZINC000997830961 726466840 /nfs/dbraw/zinc/46/68/40/726466840.db2.gz FDMOAYLVELWHTR-HNNXBMFYSA-N 2 1 345.451 -0.364 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnnn2C)C1 ZINC000998922067 726501396 /nfs/dbraw/zinc/50/13/96/726501396.db2.gz DXANAKHIFIRVFT-XUJLQICISA-N 2 1 330.436 -0.008 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnnn2C)C1 ZINC000998922067 726501397 /nfs/dbraw/zinc/50/13/97/726501397.db2.gz DXANAKHIFIRVFT-XUJLQICISA-N 2 1 330.436 -0.008 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+]([C@@H](C)C(N)=O)CC2)CC1 ZINC001001466650 726607697 /nfs/dbraw/zinc/60/76/97/726607697.db2.gz CEFIWTWGUTVQBT-AWEZNQCLSA-N 2 1 332.448 -0.046 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+]([C@@H](C)C(N)=O)CC2)CC1 ZINC001001466650 726607698 /nfs/dbraw/zinc/60/76/98/726607698.db2.gz CEFIWTWGUTVQBT-AWEZNQCLSA-N 2 1 332.448 -0.046 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001002835799 726649920 /nfs/dbraw/zinc/64/99/20/726649920.db2.gz PXNVTSVCUZQHSZ-OIISXLGYSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001002835799 726649921 /nfs/dbraw/zinc/64/99/21/726649921.db2.gz PXNVTSVCUZQHSZ-OIISXLGYSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001002835799 726649922 /nfs/dbraw/zinc/64/99/22/726649922.db2.gz PXNVTSVCUZQHSZ-OIISXLGYSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001002835799 726649923 /nfs/dbraw/zinc/64/99/23/726649923.db2.gz PXNVTSVCUZQHSZ-OIISXLGYSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC ZINC001021285455 729303313 /nfs/dbraw/zinc/30/33/13/729303313.db2.gz LUIWJSNIICRYBP-UYTSQGDYSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC ZINC001021285455 729303317 /nfs/dbraw/zinc/30/33/17/729303317.db2.gz LUIWJSNIICRYBP-UYTSQGDYSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)NC ZINC001021285455 729303319 /nfs/dbraw/zinc/30/33/19/729303319.db2.gz LUIWJSNIICRYBP-UYTSQGDYSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)NC ZINC001021285455 729303321 /nfs/dbraw/zinc/30/33/21/729303321.db2.gz LUIWJSNIICRYBP-UYTSQGDYSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001022220743 729468361 /nfs/dbraw/zinc/46/83/61/729468361.db2.gz MKLLTLFTOCWBGC-XHSDSOJGSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001022220743 729468362 /nfs/dbraw/zinc/46/83/62/729468362.db2.gz MKLLTLFTOCWBGC-XHSDSOJGSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCNC2=O)CC1 ZINC001028333049 730285420 /nfs/dbraw/zinc/28/54/20/730285420.db2.gz BWLOPUNBPGTYCM-HOTGVXAUSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCNC2=O)CC1 ZINC001028333049 730285421 /nfs/dbraw/zinc/28/54/21/730285421.db2.gz BWLOPUNBPGTYCM-HOTGVXAUSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001028603925 730321120 /nfs/dbraw/zinc/32/11/20/730321120.db2.gz MCPBXYKUZMFAJL-HOTGVXAUSA-N 2 1 330.436 -0.186 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001028603925 730321122 /nfs/dbraw/zinc/32/11/22/730321122.db2.gz MCPBXYKUZMFAJL-HOTGVXAUSA-N 2 1 330.436 -0.186 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCn2cncn2)C1 ZINC001028603925 730321125 /nfs/dbraw/zinc/32/11/25/730321125.db2.gz MCPBXYKUZMFAJL-HOTGVXAUSA-N 2 1 330.436 -0.186 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCn2cncn2)C1 ZINC001028603925 730321126 /nfs/dbraw/zinc/32/11/26/730321126.db2.gz MCPBXYKUZMFAJL-HOTGVXAUSA-N 2 1 330.436 -0.186 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+]([C@@H](C)C(=O)NC)C2)CC1 ZINC001033684604 731063204 /nfs/dbraw/zinc/06/32/04/731063204.db2.gz OXFPCQQFLUFCJM-HOCLYGCPSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+]([C@@H](C)C(=O)NC)C2)CC1 ZINC001033684604 731063207 /nfs/dbraw/zinc/06/32/07/731063207.db2.gz OXFPCQQFLUFCJM-HOCLYGCPSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CC(N)=O)C2)CC1 ZINC001035194784 731196134 /nfs/dbraw/zinc/19/61/34/731196134.db2.gz CZJOJXRFAVGNLR-HNNXBMFYSA-N 2 1 332.448 -0.116 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](CC(N)=O)C2)CC1 ZINC001035194784 731196135 /nfs/dbraw/zinc/19/61/35/731196135.db2.gz CZJOJXRFAVGNLR-HNNXBMFYSA-N 2 1 332.448 -0.116 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CC(N)=O)C2)CC1 ZINC001035194784 731196138 /nfs/dbraw/zinc/19/61/38/731196138.db2.gz CZJOJXRFAVGNLR-HNNXBMFYSA-N 2 1 332.448 -0.116 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CC(N)=O)C2)CC1 ZINC001035194784 731196139 /nfs/dbraw/zinc/19/61/39/731196139.db2.gz CZJOJXRFAVGNLR-HNNXBMFYSA-N 2 1 332.448 -0.116 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC001046037363 733821790 /nfs/dbraw/zinc/82/17/90/733821790.db2.gz XRUJRFMWKYWVTQ-ROUUACIJSA-N 2 1 348.491 -0.051 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CCOC)C2)CC1 ZINC001046037363 733821795 /nfs/dbraw/zinc/82/17/95/733821795.db2.gz XRUJRFMWKYWVTQ-ROUUACIJSA-N 2 1 348.491 -0.051 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH+](CCOC)C2)CC1 ZINC001046037363 733821799 /nfs/dbraw/zinc/82/17/99/733821799.db2.gz XRUJRFMWKYWVTQ-ROUUACIJSA-N 2 1 348.491 -0.051 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH+](CCOC)C2)CC1 ZINC001046037363 733821803 /nfs/dbraw/zinc/82/18/03/733821803.db2.gz XRUJRFMWKYWVTQ-ROUUACIJSA-N 2 1 348.491 -0.051 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(N)=O)C3)CC1 ZINC001047208480 734110739 /nfs/dbraw/zinc/11/07/39/734110739.db2.gz GOKUSYMFAZMLSA-IMJJTQAJSA-N 2 1 332.448 -0.214 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H](C)OC)C[C@@H]2O)CC1 ZINC001047638461 734294967 /nfs/dbraw/zinc/29/49/67/734294967.db2.gz UBDNSIMAOASMGI-PVAVHDDUSA-N 2 1 337.464 -0.130 20 30 EBEDMP C[NH+]1CCC(OCC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)CC1 ZINC001052101977 735547567 /nfs/dbraw/zinc/54/75/67/735547567.db2.gz BOSKOGRHZDZGQI-INIZCTEOSA-N 2 1 349.479 -0.161 20 30 EBEDMP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001055578920 736391971 /nfs/dbraw/zinc/39/19/71/736391971.db2.gz ZXNUQFMEMJWYGX-KGLIPLIRSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001055629680 736414599 /nfs/dbraw/zinc/41/45/99/736414599.db2.gz HKLRTKZUTINCJH-DZGCQCFKSA-N 2 1 335.452 -0.063 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCNC2=O)C3)CC1 ZINC001073455903 741617200 /nfs/dbraw/zinc/61/72/00/741617200.db2.gz PWLRMMOSZRHENB-MRXNPFEDSA-N 2 1 344.459 -0.246 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000983900767 807115627 /nfs/dbraw/zinc/11/56/27/807115627.db2.gz JQSHLORKPDQXFM-TUVASFSCSA-N 2 1 346.431 -0.626 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000983900767 807115637 /nfs/dbraw/zinc/11/56/37/807115637.db2.gz JQSHLORKPDQXFM-TUVASFSCSA-N 2 1 346.431 -0.626 20 30 EBEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001214780076 810280734 /nfs/dbraw/zinc/28/07/34/810280734.db2.gz JRDFSIOLGMGIJV-RBSFLKMASA-N 2 1 335.452 -0.063 20 30 EBEDMP CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC#N)[C@H]2C1)[NH+](C)C ZINC001222958999 811674002 /nfs/dbraw/zinc/67/40/02/811674002.db2.gz HMQSTSWJFWAHLN-KFWWJZLASA-N 2 1 335.452 -0.111 20 30 EBEDMP CC[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@H]2C1)[NH+](C)C ZINC001222958999 811674007 /nfs/dbraw/zinc/67/40/07/811674007.db2.gz HMQSTSWJFWAHLN-KFWWJZLASA-N 2 1 335.452 -0.111 20 30 EBEDMP C#CCOC[C@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001251844807 812636734 /nfs/dbraw/zinc/63/67/34/812636734.db2.gz WEKMLAGFMTUTLJ-TWMKSMIVSA-N 2 1 333.436 -0.317 20 30 EBEDMP C#CCOC[C@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001251844807 812636736 /nfs/dbraw/zinc/63/67/36/812636736.db2.gz WEKMLAGFMTUTLJ-TWMKSMIVSA-N 2 1 333.436 -0.317 20 30 EBEDMP C#CCOC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001251844807 812636742 /nfs/dbraw/zinc/63/67/42/812636742.db2.gz WEKMLAGFMTUTLJ-TWMKSMIVSA-N 2 1 333.436 -0.317 20 30 EBEDMP C#CCOC[C@H](O)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001251844807 812636748 /nfs/dbraw/zinc/63/67/48/812636748.db2.gz WEKMLAGFMTUTLJ-TWMKSMIVSA-N 2 1 333.436 -0.317 20 30 EBEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001263851666 813129155 /nfs/dbraw/zinc/12/91/55/813129155.db2.gz RXVALMCNRRFFBZ-NMWPEEMBSA-N 2 1 335.452 -0.017 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001263867431 813131127 /nfs/dbraw/zinc/13/11/27/813131127.db2.gz YFLACEWBBROYLQ-RBSFLKMASA-N 2 1 331.420 -0.186 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001265819477 813377812 /nfs/dbraw/zinc/37/78/12/813377812.db2.gz LIWVVBWVOCECRE-KGLIPLIRSA-N 2 1 326.441 -0.554 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001265819477 813377819 /nfs/dbraw/zinc/37/78/19/813377819.db2.gz LIWVVBWVOCECRE-KGLIPLIRSA-N 2 1 326.441 -0.554 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001265819477 813377824 /nfs/dbraw/zinc/37/78/24/813377824.db2.gz LIWVVBWVOCECRE-KGLIPLIRSA-N 2 1 326.441 -0.554 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001265819477 813377831 /nfs/dbraw/zinc/37/78/31/813377831.db2.gz LIWVVBWVOCECRE-KGLIPLIRSA-N 2 1 326.441 -0.554 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001266079046 813452402 /nfs/dbraw/zinc/45/24/02/813452402.db2.gz NGFLCAQEVWVUEO-UONOGXRCSA-N 2 1 332.408 -0.152 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001266626364 813626642 /nfs/dbraw/zinc/62/66/42/813626642.db2.gz HFVDGBYIJAXJSZ-KKUMJFAQSA-N 2 1 338.452 -0.364 20 30 EBEDMP N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001266626402 813626809 /nfs/dbraw/zinc/62/68/09/813626809.db2.gz IISOWOQINUKUGE-ZQDZILKHSA-N 2 1 333.436 -0.120 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001266729119 813653579 /nfs/dbraw/zinc/65/35/79/813653579.db2.gz ZKGZFZZZBCBKDH-GJZGRUSLSA-N 2 1 341.477 -0.433 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001266729119 813653585 /nfs/dbraw/zinc/65/35/85/813653585.db2.gz ZKGZFZZZBCBKDH-GJZGRUSLSA-N 2 1 341.477 -0.433 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267020441 813737134 /nfs/dbraw/zinc/73/71/34/813737134.db2.gz CDXMFASDJJESAJ-AWEZNQCLSA-N 2 1 331.420 -0.054 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001267045865 813745159 /nfs/dbraw/zinc/74/51/59/813745159.db2.gz VRFSGQFWFQBNNT-CABCVRRESA-N 2 1 341.477 -0.433 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001267045865 813745162 /nfs/dbraw/zinc/74/51/62/813745162.db2.gz VRFSGQFWFQBNNT-CABCVRRESA-N 2 1 341.477 -0.433 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001267494315 813916243 /nfs/dbraw/zinc/91/62/43/813916243.db2.gz RLQHREUYTAXQRR-HOCLYGCPSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)C[C@@H](O)COC)C1 ZINC001267584990 813942731 /nfs/dbraw/zinc/94/27/31/813942731.db2.gz MCKVMFVUDZYHTA-ZACQAIPSSA-N 2 1 337.464 -0.128 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)C[C@@H](O)COC)C1 ZINC001267584990 813942734 /nfs/dbraw/zinc/94/27/34/813942734.db2.gz MCKVMFVUDZYHTA-ZACQAIPSSA-N 2 1 337.464 -0.128 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)C[C@@H](O)COC)C1 ZINC001267584990 813942739 /nfs/dbraw/zinc/94/27/39/813942739.db2.gz MCKVMFVUDZYHTA-ZACQAIPSSA-N 2 1 337.464 -0.128 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)C[C@@H](O)COC)C1 ZINC001267584990 813942745 /nfs/dbraw/zinc/94/27/45/813942745.db2.gz MCKVMFVUDZYHTA-ZACQAIPSSA-N 2 1 337.464 -0.128 20 30 EBEDMP C#CCNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001267589279 813944752 /nfs/dbraw/zinc/94/47/52/813944752.db2.gz IMVHLFHOFBVRGY-HZPDHXFCSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267589279 813944757 /nfs/dbraw/zinc/94/47/57/813944757.db2.gz IMVHLFHOFBVRGY-HZPDHXFCSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267589279 813944762 /nfs/dbraw/zinc/94/47/62/813944762.db2.gz IMVHLFHOFBVRGY-HZPDHXFCSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001268143361 814134473 /nfs/dbraw/zinc/13/44/73/814134473.db2.gz UMXVFCXTUCBKRE-UKRRQHHQSA-N 2 1 331.420 -0.232 20 30 EBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083469694 814464655 /nfs/dbraw/zinc/46/46/55/814464655.db2.gz DQRHIWIWNHDDOT-BDXSIMOUSA-N 2 1 349.475 -0.082 20 30 EBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083469694 814464659 /nfs/dbraw/zinc/46/46/59/814464659.db2.gz DQRHIWIWNHDDOT-BDXSIMOUSA-N 2 1 349.475 -0.082 20 30 EBEDMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](CC[NH2+]CC(=O)NCC#N)C2)C1 ZINC001269797840 815609395 /nfs/dbraw/zinc/60/93/95/815609395.db2.gz DBZAKBANUFOIHG-HUUCEWRRSA-N 2 1 335.452 -0.204 20 30 EBEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H](C)CN2CCOCC2)C1 ZINC001271996400 816285643 /nfs/dbraw/zinc/28/56/43/816285643.db2.gz LWGSDDLGOUILPL-SJLPKXTDSA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001271996400 816285646 /nfs/dbraw/zinc/28/56/46/816285646.db2.gz LWGSDDLGOUILPL-SJLPKXTDSA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H](C)CN2CCOCC2)C1 ZINC001271996399 816285712 /nfs/dbraw/zinc/28/57/12/816285712.db2.gz LWGSDDLGOUILPL-FUHWJXTLSA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001271996399 816285713 /nfs/dbraw/zinc/28/57/13/816285713.db2.gz LWGSDDLGOUILPL-FUHWJXTLSA-N 2 1 337.464 -0.079 20 30 EBEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CCN2CC(=O)NCC#N ZINC001272015661 816290795 /nfs/dbraw/zinc/29/07/95/816290795.db2.gz KKRGTXADSYXXSQ-RRFJBIMHSA-N 2 1 333.436 -0.214 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]C[C@@H](O)c1ccccc1 ZINC001272443126 816433314 /nfs/dbraw/zinc/43/33/14/816433314.db2.gz LKKOEIZMWCIKTP-OKZBNKHCSA-N 2 1 345.443 -0.116 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]C[C@@H](O)c1ccccc1 ZINC001272443126 816433318 /nfs/dbraw/zinc/43/33/18/816433318.db2.gz LKKOEIZMWCIKTP-OKZBNKHCSA-N 2 1 345.443 -0.116 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC(=O)NCC)C1 ZINC001273276404 816627608 /nfs/dbraw/zinc/62/76/08/816627608.db2.gz JTLGOAKYLAXVDI-CABCVRRESA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC(=O)NCC)C1 ZINC001273276404 816627612 /nfs/dbraw/zinc/62/76/12/816627612.db2.gz JTLGOAKYLAXVDI-CABCVRRESA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(=O)NCC)C1 ZINC001273276405 816627674 /nfs/dbraw/zinc/62/76/74/816627674.db2.gz JTLGOAKYLAXVDI-GJZGRUSLSA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(=O)NCC)C1 ZINC001273276405 816627678 /nfs/dbraw/zinc/62/76/78/816627678.db2.gz JTLGOAKYLAXVDI-GJZGRUSLSA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001090272102 817214511 /nfs/dbraw/zinc/21/45/11/817214511.db2.gz MEOQJTOTDWBXDD-ZBFHGGJFSA-N 2 1 333.436 -0.367 20 30 EBEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001090275067 817215548 /nfs/dbraw/zinc/21/55/48/817215548.db2.gz XXDFLZCYFLIDBQ-ZBFHGGJFSA-N 2 1 333.436 -0.367 20 30 EBEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001090275067 817215555 /nfs/dbraw/zinc/21/55/55/817215555.db2.gz XXDFLZCYFLIDBQ-ZBFHGGJFSA-N 2 1 333.436 -0.367 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](C[C@@H](O)COC)C[C@H]32)CC1 ZINC001276751573 817467049 /nfs/dbraw/zinc/46/70/49/817467049.db2.gz UCKPKUZFYOPECZ-TVFCKZIOSA-N 2 1 349.475 -0.367 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001277937702 817658787 /nfs/dbraw/zinc/65/87/87/817658787.db2.gz HQRALGPMZHRRDN-UKRRQHHQSA-N 2 1 345.447 -0.060 20 30 EBEDMP C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(C)CCC[NH+](CC(=O)NCC#N)C2)C1 ZINC001278688503 817794351 /nfs/dbraw/zinc/79/43/51/817794351.db2.gz WYQHYADYBSPTQY-PBHICJAKSA-N 2 1 335.452 -0.204 20 30 EBEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@]2(C)CCC[NH+](CC(=O)NCC#N)C2)C1 ZINC001278688503 817794360 /nfs/dbraw/zinc/79/43/60/817794360.db2.gz WYQHYADYBSPTQY-PBHICJAKSA-N 2 1 335.452 -0.204 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)NC[C@]2(C)CCC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001278688503 817794370 /nfs/dbraw/zinc/79/43/70/817794370.db2.gz WYQHYADYBSPTQY-PBHICJAKSA-N 2 1 335.452 -0.204 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)NC[C@]2(C)CCC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001278688503 817794379 /nfs/dbraw/zinc/79/43/79/817794379.db2.gz WYQHYADYBSPTQY-PBHICJAKSA-N 2 1 335.452 -0.204 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001278838051 817858279 /nfs/dbraw/zinc/85/82/79/817858279.db2.gz GHEMOQCTQRLVPI-HUUCEWRRSA-N 2 1 338.452 -0.981 20 30 EBEDMP COCC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001278859619 817870267 /nfs/dbraw/zinc/87/02/67/817870267.db2.gz FJPYPRBOTPXQHU-HNNXBMFYSA-N 2 1 325.453 -0.128 20 30 EBEDMP COCC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001278882609 817882363 /nfs/dbraw/zinc/88/23/63/817882363.db2.gz KOWQKOIYLDNEPQ-HOTGVXAUSA-N 2 1 325.453 -0.271 20 30 EBEDMP COCC#CC[NH+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001278882609 817882369 /nfs/dbraw/zinc/88/23/69/817882369.db2.gz KOWQKOIYLDNEPQ-HOTGVXAUSA-N 2 1 325.453 -0.271 20 30 EBEDMP COCC#CC[NH+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001278882609 817882382 /nfs/dbraw/zinc/88/23/82/817882382.db2.gz KOWQKOIYLDNEPQ-HOTGVXAUSA-N 2 1 325.453 -0.271 20 30 EBEDMP COCC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001278882608 817883036 /nfs/dbraw/zinc/88/30/36/817883036.db2.gz KOWQKOIYLDNEPQ-CVEARBPZSA-N 2 1 325.453 -0.271 20 30 EBEDMP COCC#CC[NH+](C)C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001278882608 817883045 /nfs/dbraw/zinc/88/30/45/817883045.db2.gz KOWQKOIYLDNEPQ-CVEARBPZSA-N 2 1 325.453 -0.271 20 30 EBEDMP COCC#CC[NH+](C)C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001278882608 817883055 /nfs/dbraw/zinc/88/30/55/817883055.db2.gz KOWQKOIYLDNEPQ-CVEARBPZSA-N 2 1 325.453 -0.271 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001279801273 817988039 /nfs/dbraw/zinc/98/80/39/817988039.db2.gz VGZHAQULTGJJFD-GJZGRUSLSA-N 2 1 338.452 -0.981 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001282812394 818497155 /nfs/dbraw/zinc/49/71/55/818497155.db2.gz VOROUQKGUONGQK-KFWWJZLASA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001282812394 818497159 /nfs/dbraw/zinc/49/71/59/818497159.db2.gz VOROUQKGUONGQK-KFWWJZLASA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC001282812394 818497164 /nfs/dbraw/zinc/49/71/64/818497164.db2.gz VOROUQKGUONGQK-KFWWJZLASA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC001282812394 818497170 /nfs/dbraw/zinc/49/71/70/818497170.db2.gz VOROUQKGUONGQK-KFWWJZLASA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCn1cccn1 ZINC001284416467 819220832 /nfs/dbraw/zinc/22/08/32/819220832.db2.gz NKRIOTKWUBDMAV-CVEARBPZSA-N 2 1 333.436 -0.610 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCn1cccn1 ZINC001284416467 819220839 /nfs/dbraw/zinc/22/08/39/819220839.db2.gz NKRIOTKWUBDMAV-CVEARBPZSA-N 2 1 333.436 -0.610 20 30 EBEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001284501884 819258846 /nfs/dbraw/zinc/25/88/46/819258846.db2.gz JXASOXPRGPMXHH-OAHLLOKOSA-N 2 1 325.453 -0.271 20 30 EBEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100080706 820179386 /nfs/dbraw/zinc/17/93/86/820179386.db2.gz LQJIQFYKMUGEGE-HOTGVXAUSA-N 2 1 325.453 -0.081 20 30 EBEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100080706 820179388 /nfs/dbraw/zinc/17/93/88/820179388.db2.gz LQJIQFYKMUGEGE-HOTGVXAUSA-N 2 1 325.453 -0.081 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCOC)C[C@H]2O)CC1 ZINC001100121624 820251073 /nfs/dbraw/zinc/25/10/73/820251073.db2.gz DOELDXBAQFDHFH-DLBZAZTESA-N 2 1 337.464 -0.081 20 30 EBEDMP C[N@H+]1CCC[C@H]1CCC(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100418854 820414076 /nfs/dbraw/zinc/41/40/76/820414076.db2.gz JRUWWJVPEQUTBZ-NRXISQOPSA-N 2 1 335.452 -0.015 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101363872 820768869 /nfs/dbraw/zinc/76/88/69/820768869.db2.gz DAGSXZIUSCXQBT-MDZRGWNJSA-N 2 1 346.475 -0.142 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101363872 820768876 /nfs/dbraw/zinc/76/88/76/820768876.db2.gz DAGSXZIUSCXQBT-MDZRGWNJSA-N 2 1 346.475 -0.142 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101363872 820768881 /nfs/dbraw/zinc/76/88/81/820768881.db2.gz DAGSXZIUSCXQBT-MDZRGWNJSA-N 2 1 346.475 -0.142 20 30 EBEDMP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101418294 820784117 /nfs/dbraw/zinc/78/41/17/820784117.db2.gz KQHNIGDOBSPSIQ-PBHICJAKSA-N 2 1 335.452 -0.252 20 30 EBEDMP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101418294 820784121 /nfs/dbraw/zinc/78/41/21/820784121.db2.gz KQHNIGDOBSPSIQ-PBHICJAKSA-N 2 1 335.452 -0.252 20 30 EBEDMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101418294 820784125 /nfs/dbraw/zinc/78/41/25/820784125.db2.gz KQHNIGDOBSPSIQ-PBHICJAKSA-N 2 1 335.452 -0.252 20 30 EBEDMP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101418294 820784134 /nfs/dbraw/zinc/78/41/34/820784134.db2.gz KQHNIGDOBSPSIQ-PBHICJAKSA-N 2 1 335.452 -0.252 20 30 EBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047946 821010018 /nfs/dbraw/zinc/01/00/18/821010018.db2.gz ZIKRLHJSOBDFRO-XPKDYRNWSA-N 2 1 335.452 -0.350 20 30 EBEDMP C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001105202846 821617804 /nfs/dbraw/zinc/61/78/04/821617804.db2.gz WIHQIPKNLQWOIT-HNNXBMFYSA-N 2 1 334.424 -0.342 20 30 EBEDMP C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001105202846 821617810 /nfs/dbraw/zinc/61/78/10/821617810.db2.gz WIHQIPKNLQWOIT-HNNXBMFYSA-N 2 1 334.424 -0.342 20 30 EBEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001105244276 821643443 /nfs/dbraw/zinc/64/34/43/821643443.db2.gz UOAQSCZUGFVYNB-GDBMZVCRSA-N 2 1 346.435 -0.200 20 30 EBEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001105244276 821643450 /nfs/dbraw/zinc/64/34/50/821643450.db2.gz UOAQSCZUGFVYNB-GDBMZVCRSA-N 2 1 346.435 -0.200 20 30 EBEDMP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CC(=O)NCC#N)CC[C@@H]3C2)C1 ZINC001316756128 821845831 /nfs/dbraw/zinc/84/58/31/821845831.db2.gz APUUSVGFJMRRJP-XHSDSOJGSA-N 2 1 347.463 -0.252 20 30 EBEDMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[NH+](CC(=O)NCC#N)CC[C@@H]3C2)C1 ZINC001316756128 821845836 /nfs/dbraw/zinc/84/58/36/821845836.db2.gz APUUSVGFJMRRJP-XHSDSOJGSA-N 2 1 347.463 -0.252 20 30 EBEDMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](CC(=O)NCC#N)CC[C@@H]3C2)C1 ZINC001316756128 821845842 /nfs/dbraw/zinc/84/58/42/821845842.db2.gz APUUSVGFJMRRJP-XHSDSOJGSA-N 2 1 347.463 -0.252 20 30 EBEDMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](CC(=O)NCC#N)CC[C@@H]3C2)C1 ZINC001316756128 821845849 /nfs/dbraw/zinc/84/58/49/821845849.db2.gz APUUSVGFJMRRJP-XHSDSOJGSA-N 2 1 347.463 -0.252 20 30 EBEDMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CC23CC[NH+](CC(=O)NCC#N)CC3)C1 ZINC001317007748 821971373 /nfs/dbraw/zinc/97/13/73/821971373.db2.gz QHAMBBQASPUKPJ-LSDHHAIUSA-N 2 1 347.463 -0.061 20 30 EBEDMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CC23CC[NH+](CC(=O)NCC#N)CC3)C1 ZINC001317007748 821971378 /nfs/dbraw/zinc/97/13/78/821971378.db2.gz QHAMBBQASPUKPJ-LSDHHAIUSA-N 2 1 347.463 -0.061 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001317062921 821989984 /nfs/dbraw/zinc/98/99/84/821989984.db2.gz OGILSHOKWIKNNO-CABCVRRESA-N 2 1 343.431 -0.306 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001317213581 822038555 /nfs/dbraw/zinc/03/85/55/822038555.db2.gz DUBDPAHEEQTBQQ-NBFUAULTSA-N 2 1 332.448 -0.488 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317213581 822038565 /nfs/dbraw/zinc/03/85/65/822038565.db2.gz DUBDPAHEEQTBQQ-NBFUAULTSA-N 2 1 332.448 -0.488 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001317213581 822038568 /nfs/dbraw/zinc/03/85/68/822038568.db2.gz DUBDPAHEEQTBQQ-NBFUAULTSA-N 2 1 332.448 -0.488 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001317310621 822079057 /nfs/dbraw/zinc/07/90/57/822079057.db2.gz UPVXLUUZFZOPAZ-ZDUSSCGKSA-N 2 1 339.440 -0.471 20 30 EBEDMP C[NH+](C)C1(C(=O)N2CC[C@@H](C[N@H+](C)CC(=O)NCC#N)C2)CCC1 ZINC001317840794 822222969 /nfs/dbraw/zinc/22/29/69/822222969.db2.gz VFYPCYKDURXVLD-AWEZNQCLSA-N 2 1 335.452 -0.109 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CCOCCO)C2)CC1 ZINC001318445375 822316392 /nfs/dbraw/zinc/31/63/92/822316392.db2.gz MDYJOHFUEZIWSN-KRWDZBQOSA-N 2 1 337.464 -0.127 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001129771050 828667334 /nfs/dbraw/zinc/66/73/34/828667334.db2.gz OWNGYBFJZFVUCR-GJZGRUSLSA-N 2 1 341.477 -0.385 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001129771050 828667335 /nfs/dbraw/zinc/66/73/35/828667335.db2.gz OWNGYBFJZFVUCR-GJZGRUSLSA-N 2 1 341.477 -0.385 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130298152 828777412 /nfs/dbraw/zinc/77/74/12/828777412.db2.gz XDSHJEKLKHZPQC-LBPRGKRZSA-N 2 1 325.413 -0.812 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001114263458 826185761 /nfs/dbraw/zinc/18/57/61/826185761.db2.gz VTXRFKXKJQOUSJ-DLTWYDFYSA-N 2 1 332.448 -0.345 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001114263458 826185762 /nfs/dbraw/zinc/18/57/62/826185762.db2.gz VTXRFKXKJQOUSJ-DLTWYDFYSA-N 2 1 332.448 -0.345 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001114263458 826185765 /nfs/dbraw/zinc/18/57/65/826185765.db2.gz VTXRFKXKJQOUSJ-DLTWYDFYSA-N 2 1 332.448 -0.345 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001114263458 826185766 /nfs/dbraw/zinc/18/57/66/826185766.db2.gz VTXRFKXKJQOUSJ-DLTWYDFYSA-N 2 1 332.448 -0.345 20 30 EBEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001114590690 826293880 /nfs/dbraw/zinc/29/38/80/826293880.db2.gz XACUKROEDIPISJ-ITBUKVITSA-N 2 1 345.443 -0.454 20 30 EBEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001114590690 826293884 /nfs/dbraw/zinc/29/38/84/826293884.db2.gz XACUKROEDIPISJ-ITBUKVITSA-N 2 1 345.443 -0.454 20 30 EBEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001114590690 826293889 /nfs/dbraw/zinc/29/38/89/826293889.db2.gz XACUKROEDIPISJ-ITBUKVITSA-N 2 1 345.443 -0.454 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001115057464 826411524 /nfs/dbraw/zinc/41/15/24/826411524.db2.gz CSHOLGZZTANGHE-VQFNDLOPSA-N 2 1 346.475 -0.097 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001115057464 826411527 /nfs/dbraw/zinc/41/15/27/826411527.db2.gz CSHOLGZZTANGHE-VQFNDLOPSA-N 2 1 346.475 -0.097 20 30 EBEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001115242056 826467744 /nfs/dbraw/zinc/46/77/44/826467744.db2.gz UTNUUZNRMVYJLS-AIANPOQGSA-N 2 1 347.463 -0.253 20 30 EBEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001115242056 826467751 /nfs/dbraw/zinc/46/77/51/826467751.db2.gz UTNUUZNRMVYJLS-AIANPOQGSA-N 2 1 347.463 -0.253 20 30 EBEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001115242056 826467756 /nfs/dbraw/zinc/46/77/56/826467756.db2.gz UTNUUZNRMVYJLS-AIANPOQGSA-N 2 1 347.463 -0.253 20 30 EBEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001115242056 826467760 /nfs/dbraw/zinc/46/77/60/826467760.db2.gz UTNUUZNRMVYJLS-AIANPOQGSA-N 2 1 347.463 -0.253 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(C)C)C[C@H]32)CC1 ZINC001115289738 826495044 /nfs/dbraw/zinc/49/50/44/826495044.db2.gz GOAGXLXRJJYQEW-VQFNDLOPSA-N 2 1 346.475 -0.097 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(C)C)C[C@H]32)CC1 ZINC001115289738 826495049 /nfs/dbraw/zinc/49/50/49/826495049.db2.gz GOAGXLXRJJYQEW-VQFNDLOPSA-N 2 1 346.475 -0.097 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001115302738 826503105 /nfs/dbraw/zinc/50/31/05/826503105.db2.gz URVRNDVXGVFLDH-IDCNUPLLSA-N 2 1 346.475 -0.097 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001115302738 826503108 /nfs/dbraw/zinc/50/31/08/826503108.db2.gz URVRNDVXGVFLDH-IDCNUPLLSA-N 2 1 346.475 -0.097 20 30 EBEDMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001183241038 833284658 /nfs/dbraw/zinc/28/46/58/833284658.db2.gz ZTTRHTCJQHINNG-HUUCEWRRSA-N 2 1 335.452 -0.205 20 30 EBEDMP N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001183256445 833285333 /nfs/dbraw/zinc/28/53/33/833285333.db2.gz WSUIODIILCIMMC-OLZOCXBDSA-N 2 1 330.392 -0.409 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001183361137 833288183 /nfs/dbraw/zinc/28/81/83/833288183.db2.gz HQPAVNDPFSQCCO-OAGGEKHMSA-N 2 1 330.432 -0.588 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001183361137 833288185 /nfs/dbraw/zinc/28/81/85/833288185.db2.gz HQPAVNDPFSQCCO-OAGGEKHMSA-N 2 1 330.432 -0.588 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131525840 829153932 /nfs/dbraw/zinc/15/39/32/829153932.db2.gz NAUNTURLFKUFPE-ZBUZPQQSSA-N 2 1 336.436 -0.754 20 30 EBEDMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001133850092 829687091 /nfs/dbraw/zinc/68/70/91/829687091.db2.gz IWRGAOYVZLMGTM-OAHLLOKOSA-N 2 1 327.404 -0.456 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001135325730 829945885 /nfs/dbraw/zinc/94/58/85/829945885.db2.gz GDDKJONDXKZMFH-HNNXBMFYSA-N 2 1 338.452 -0.667 20 30 EBEDMP C[C@H](C[C@H](C)NC(=O)CC[NH+]1CCOCC1)[NH2+]CC(=O)NCC#N ZINC001135676141 830004699 /nfs/dbraw/zinc/00/46/99/830004699.db2.gz QXNANULVQBNLPH-KGLIPLIRSA-N 2 1 339.440 -0.779 20 30 EBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135892661 830038128 /nfs/dbraw/zinc/03/81/28/830038128.db2.gz UAOWFSMDDSKCKF-UHFFFAOYSA-N 2 1 328.376 -0.111 20 30 EBEDMP C[NH+](C)C1(C(=O)N2CC3(C2)CC[N@H+](CC(=O)NCC#N)C3)CCC1 ZINC001147725212 830402565 /nfs/dbraw/zinc/40/25/65/830402565.db2.gz VOTDXFPXTSSMNT-UHFFFAOYSA-N 2 1 333.436 -0.355 20 30 EBEDMP C[NH+](C)C1(C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NCC#N)C3)CCC1 ZINC001147725212 830402569 /nfs/dbraw/zinc/40/25/69/830402569.db2.gz VOTDXFPXTSSMNT-UHFFFAOYSA-N 2 1 333.436 -0.355 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001159627776 831767927 /nfs/dbraw/zinc/76/79/27/831767927.db2.gz AGVPWBAYRKQEIM-MRXNPFEDSA-N 2 1 332.448 -0.032 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001159627776 831767934 /nfs/dbraw/zinc/76/79/34/831767934.db2.gz AGVPWBAYRKQEIM-MRXNPFEDSA-N 2 1 332.448 -0.032 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001159627776 831767941 /nfs/dbraw/zinc/76/79/41/831767941.db2.gz AGVPWBAYRKQEIM-MRXNPFEDSA-N 2 1 332.448 -0.032 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001159627776 831767943 /nfs/dbraw/zinc/76/79/43/831767943.db2.gz AGVPWBAYRKQEIM-MRXNPFEDSA-N 2 1 332.448 -0.032 20 30 EBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001159877632 831792143 /nfs/dbraw/zinc/79/21/43/831792143.db2.gz QMMJZTFQHOUHPT-CQSZACIVSA-N 2 1 336.440 -0.789 20 30 EBEDMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC1=CC[NH+](CC(=O)NCC#N)CC1 ZINC001161205819 831937687 /nfs/dbraw/zinc/93/76/87/831937687.db2.gz HGLUYEHWESMVGB-GDBMZVCRSA-N 2 1 347.463 -0.038 20 30 EBEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC1=CC[NH+](CC(=O)NCC#N)CC1 ZINC001161205819 831937690 /nfs/dbraw/zinc/93/76/90/831937690.db2.gz HGLUYEHWESMVGB-GDBMZVCRSA-N 2 1 347.463 -0.038 20 30 EBEDMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NCCC1=CC[N@H+](CC(=O)NCC#N)CC1 ZINC001161205819 831937694 /nfs/dbraw/zinc/93/76/94/831937694.db2.gz HGLUYEHWESMVGB-GDBMZVCRSA-N 2 1 347.463 -0.038 20 30 EBEDMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NCCC1=CC[N@@H+](CC(=O)NCC#N)CC1 ZINC001161205819 831937696 /nfs/dbraw/zinc/93/76/96/831937696.db2.gz HGLUYEHWESMVGB-GDBMZVCRSA-N 2 1 347.463 -0.038 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001161251532 831941689 /nfs/dbraw/zinc/94/16/89/831941689.db2.gz ROHYNQMVUROUJW-UHFFFAOYSA-N 2 1 341.456 -0.176 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872164 832068526 /nfs/dbraw/zinc/06/85/26/832068526.db2.gz IOBMTXTXBCCBQC-GBRKPNRJSA-N 2 1 348.447 -0.917 20 30 EBEDMP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001163939498 832160616 /nfs/dbraw/zinc/16/06/16/832160616.db2.gz BCLXFTGWWQWIRD-CQSZACIVSA-N 2 1 338.452 -0.505 20 30 EBEDMP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001163939498 832160622 /nfs/dbraw/zinc/16/06/22/832160622.db2.gz BCLXFTGWWQWIRD-CQSZACIVSA-N 2 1 338.452 -0.505 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001164535807 832194723 /nfs/dbraw/zinc/19/47/23/832194723.db2.gz GNDSJQYMBVJWKT-CABCVRRESA-N 2 1 340.468 -0.118 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[N@H+](C)CC ZINC001170233435 832493731 /nfs/dbraw/zinc/49/37/31/832493731.db2.gz OHHKPPLFGXTMIT-CYBMUJFWSA-N 2 1 341.456 -0.176 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1C ZINC001176125412 832658887 /nfs/dbraw/zinc/65/88/87/832658887.db2.gz BBZVKKVDTQKSSC-UHFFFAOYSA-N 2 1 336.396 -0.701 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001176636670 832684703 /nfs/dbraw/zinc/68/47/03/832684703.db2.gz SIEQLUKGHIROBJ-KGLIPLIRSA-N 2 1 326.441 -0.506 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001176636670 832684704 /nfs/dbraw/zinc/68/47/04/832684704.db2.gz SIEQLUKGHIROBJ-KGLIPLIRSA-N 2 1 326.441 -0.506 20 30 EBEDMP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001190445732 834270042 /nfs/dbraw/zinc/27/00/42/834270042.db2.gz ZXKPDASZLJMGCQ-KBPBESRZSA-N 2 1 341.431 -0.161 20 30 EBEDMP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001190445732 834270051 /nfs/dbraw/zinc/27/00/51/834270051.db2.gz ZXKPDASZLJMGCQ-KBPBESRZSA-N 2 1 341.431 -0.161 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200115517 835910489 /nfs/dbraw/zinc/91/04/89/835910489.db2.gz NAPJNEKIRRPVDV-HUUCEWRRSA-N 2 1 336.436 -0.963 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203170191 836403483 /nfs/dbraw/zinc/40/34/83/836403483.db2.gz ZDNDSCLDLRHIPG-ZIAGYGMSSA-N 2 1 344.419 -0.152 20 30 EBEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1 ZINC001206281350 836635817 /nfs/dbraw/zinc/63/58/17/836635817.db2.gz JPNSLJVRGIKXTB-HIFRSBDPSA-N 2 1 335.452 -0.348 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001208073142 836940905 /nfs/dbraw/zinc/94/09/05/836940905.db2.gz DCUXTNBULXDQNU-SOUVJXGZSA-N 2 1 335.452 -0.063 20 30 EBEDMP N#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001208334000 837000177 /nfs/dbraw/zinc/00/01/77/837000177.db2.gz CKAZJDWFEMZJKG-UONOGXRCSA-N 2 1 344.419 -0.019 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001208352627 837003963 /nfs/dbraw/zinc/00/39/63/837003963.db2.gz KALHCDRZRHMWTP-HOTGVXAUSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001208352627 837003971 /nfs/dbraw/zinc/00/39/71/837003971.db2.gz KALHCDRZRHMWTP-HOTGVXAUSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208410874 837023794 /nfs/dbraw/zinc/02/37/94/837023794.db2.gz GWPXFSIMQUCGCG-QLFBSQMISA-N 2 1 336.436 -0.965 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208410874 837023798 /nfs/dbraw/zinc/02/37/98/837023798.db2.gz GWPXFSIMQUCGCG-QLFBSQMISA-N 2 1 336.436 -0.965 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001321875058 839092479 /nfs/dbraw/zinc/09/24/79/839092479.db2.gz CNQWECNAWPCBJZ-ZNMIVQPWSA-N 2 1 341.477 -0.387 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001321875058 839092492 /nfs/dbraw/zinc/09/24/92/839092492.db2.gz CNQWECNAWPCBJZ-ZNMIVQPWSA-N 2 1 341.477 -0.387 20 30 EBEDMP COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001331802909 841503736 /nfs/dbraw/zinc/50/37/36/841503736.db2.gz FLEHVZNUMBXVSR-HZPDHXFCSA-N 2 1 325.453 -0.034 20 30 EBEDMP C=CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001332617230 841690113 /nfs/dbraw/zinc/69/01/13/841690113.db2.gz CPJHWNSQXRVEBM-KBPBESRZSA-N 2 1 326.441 -0.866 20 30 EBEDMP C=CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001332617230 841690117 /nfs/dbraw/zinc/69/01/17/841690117.db2.gz CPJHWNSQXRVEBM-KBPBESRZSA-N 2 1 326.441 -0.866 20 30 EBEDMP C=CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001332617230 841690121 /nfs/dbraw/zinc/69/01/21/841690121.db2.gz CPJHWNSQXRVEBM-KBPBESRZSA-N 2 1 326.441 -0.866 20 30 EBEDMP C=CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001332617230 841690124 /nfs/dbraw/zinc/69/01/24/841690124.db2.gz CPJHWNSQXRVEBM-KBPBESRZSA-N 2 1 326.441 -0.866 20 30 EBEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)C1 ZINC001333679543 841925460 /nfs/dbraw/zinc/92/54/60/841925460.db2.gz ZCTFKHMVFLWUCE-CABCVRRESA-N 2 1 335.452 -0.155 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)C1 ZINC001333679543 841925472 /nfs/dbraw/zinc/92/54/72/841925472.db2.gz ZCTFKHMVFLWUCE-CABCVRRESA-N 2 1 335.452 -0.155 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001690988080 1125796519 /nfs/dbraw/zinc/79/65/19/1125796519.db2.gz AIXVOUMSXBHLOW-UHFFFAOYSA-N 2 1 337.424 -0.858 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001690988080 1125796520 /nfs/dbraw/zinc/79/65/20/1125796520.db2.gz AIXVOUMSXBHLOW-UHFFFAOYSA-N 2 1 337.424 -0.858 20 30 EBEDMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001691263486 1125846428 /nfs/dbraw/zinc/84/64/28/1125846428.db2.gz TVGLOHGMQSYSMC-RRFJBIMHSA-N 2 1 335.452 -0.158 20 30 EBEDMP C=CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001691415112 1125858859 /nfs/dbraw/zinc/85/88/59/1125858859.db2.gz SEVPYNBSWCOQHK-CYBMUJFWSA-N 2 1 335.408 -0.205 20 30 EBEDMP C=CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001691415112 1125858860 /nfs/dbraw/zinc/85/88/60/1125858860.db2.gz SEVPYNBSWCOQHK-CYBMUJFWSA-N 2 1 335.408 -0.205 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001481109297 1125923618 /nfs/dbraw/zinc/92/36/18/1125923618.db2.gz PBVRZJGGLPKGJF-CYBMUJFWSA-N 2 1 339.440 -0.612 20 30 EBEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001481124333 1125927382 /nfs/dbraw/zinc/92/73/82/1125927382.db2.gz OTKAGOURNKBALX-HUUCEWRRSA-N 2 1 338.452 -0.553 20 30 EBEDMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001482797235 1126293853 /nfs/dbraw/zinc/29/38/53/1126293853.db2.gz MLPCGAPIDFNCPW-IAGOWNOFSA-N 2 1 346.431 -0.154 20 30 EBEDMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001482797235 1126293854 /nfs/dbraw/zinc/29/38/54/1126293854.db2.gz MLPCGAPIDFNCPW-IAGOWNOFSA-N 2 1 346.431 -0.154 20 30 EBEDMP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CC(=O)NCC#N)C3)C1 ZINC001483832370 1126480445 /nfs/dbraw/zinc/48/04/45/1126480445.db2.gz HSIUGRGQYZVFLB-QAPCUYQASA-N 2 1 347.463 -0.108 20 30 EBEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CC(=O)NCC#N)C3)C1 ZINC001483832370 1126480447 /nfs/dbraw/zinc/48/04/47/1126480447.db2.gz HSIUGRGQYZVFLB-QAPCUYQASA-N 2 1 347.463 -0.108 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC(=O)NCC#N)C3)C1 ZINC001483832370 1126480449 /nfs/dbraw/zinc/48/04/49/1126480449.db2.gz HSIUGRGQYZVFLB-QAPCUYQASA-N 2 1 347.463 -0.108 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC(=O)NCC#N)C3)C1 ZINC001483832370 1126480451 /nfs/dbraw/zinc/48/04/51/1126480451.db2.gz HSIUGRGQYZVFLB-QAPCUYQASA-N 2 1 347.463 -0.108 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(CCO)CC[NH2+]Cc2nncn2C)CC1 ZINC001484501532 1126599613 /nfs/dbraw/zinc/59/96/13/1126599613.db2.gz ZDLZYMVPNFKVAW-UHFFFAOYSA-N 2 1 348.451 -0.929 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCn2ccnc2)CC1 ZINC001484718514 1126626153 /nfs/dbraw/zinc/62/61/53/1126626153.db2.gz MIHXFPYMHJHODV-AWEZNQCLSA-N 2 1 332.408 -0.116 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCn2ccnc2)CC1 ZINC001484718514 1126626155 /nfs/dbraw/zinc/62/61/55/1126626155.db2.gz MIHXFPYMHJHODV-AWEZNQCLSA-N 2 1 332.408 -0.116 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001484916001 1126651760 /nfs/dbraw/zinc/65/17/60/1126651760.db2.gz UXHGIJMWCVVGNI-CQSZACIVSA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001484916001 1126651761 /nfs/dbraw/zinc/65/17/61/1126651761.db2.gz UXHGIJMWCVVGNI-CQSZACIVSA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001484998808 1126661984 /nfs/dbraw/zinc/66/19/84/1126661984.db2.gz JXWFOAJWOYXDOQ-DZGCQCFKSA-N 2 1 345.447 -0.012 20 30 EBEDMP C#CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001485387736 1126698518 /nfs/dbraw/zinc/69/85/18/1126698518.db2.gz IAIYZDDHXUBVJX-OAHLLOKOSA-N 2 1 332.448 -0.483 20 30 EBEDMP C#CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001485387736 1126698520 /nfs/dbraw/zinc/69/85/20/1126698520.db2.gz IAIYZDDHXUBVJX-OAHLLOKOSA-N 2 1 332.448 -0.483 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC001485568876 1126761155 /nfs/dbraw/zinc/76/11/55/1126761155.db2.gz GWEZNKBVDRUDDX-JKSUJKDBSA-N 2 1 346.475 -0.096 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC001485568876 1126761160 /nfs/dbraw/zinc/76/11/60/1126761160.db2.gz GWEZNKBVDRUDDX-JKSUJKDBSA-N 2 1 346.475 -0.096 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001486505871 1127191062 /nfs/dbraw/zinc/19/10/62/1127191062.db2.gz HEJJISZCNAHGBV-GDBMZVCRSA-N 2 1 332.448 -0.176 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001486505871 1127191065 /nfs/dbraw/zinc/19/10/65/1127191065.db2.gz HEJJISZCNAHGBV-GDBMZVCRSA-N 2 1 332.448 -0.176 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001486505871 1127191068 /nfs/dbraw/zinc/19/10/68/1127191068.db2.gz HEJJISZCNAHGBV-GDBMZVCRSA-N 2 1 332.448 -0.176 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001486505871 1127191071 /nfs/dbraw/zinc/19/10/71/1127191071.db2.gz HEJJISZCNAHGBV-GDBMZVCRSA-N 2 1 332.448 -0.176 20 30 EBEDMP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001489202367 1128931221 /nfs/dbraw/zinc/93/12/21/1128931221.db2.gz HHRPUBPCSWREII-CABCVRRESA-N 2 1 335.452 -0.252 20 30 EBEDMP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001489202367 1128931224 /nfs/dbraw/zinc/93/12/24/1128931224.db2.gz HHRPUBPCSWREII-CABCVRRESA-N 2 1 335.452 -0.252 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCOCCO)C1 ZINC001491112024 1130328772 /nfs/dbraw/zinc/32/87/72/1130328772.db2.gz XQXRNCIAFRONNG-IRXDYDNUSA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCOCCO)C1 ZINC001491112024 1130328779 /nfs/dbraw/zinc/32/87/79/1130328779.db2.gz XQXRNCIAFRONNG-IRXDYDNUSA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCOCCO)C1 ZINC001491112024 1130328785 /nfs/dbraw/zinc/32/87/85/1130328785.db2.gz XQXRNCIAFRONNG-IRXDYDNUSA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCOCCO)C1 ZINC001491112024 1130328790 /nfs/dbraw/zinc/32/87/90/1130328790.db2.gz XQXRNCIAFRONNG-IRXDYDNUSA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CCN1CCN(C(=O)CN2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000490761917 377318013 /nfs/dbraw/zinc/31/80/13/377318013.db2.gz YBSDTUWNLHJRRC-UHFFFAOYSA-N 2 1 336.480 -0.458 20 30 EBEDMP COC[C@H](C)NC(=[NH2+])NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000264147215 379244433 /nfs/dbraw/zinc/24/44/33/379244433.db2.gz YCXMPOXENRMAIH-AWEZNQCLSA-N 2 1 335.456 -0.072 20 30 EBEDMP C=CCNC(=O)NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903511114 582809500 /nfs/dbraw/zinc/80/95/00/582809500.db2.gz PDRULDKIZPSDQD-GASCZTMLSA-N 2 1 335.452 -0.101 20 30 EBEDMP C[NH+]=C(NCC[N@@H+](C)C(C)C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261723713 649984768 /nfs/dbraw/zinc/98/47/68/649984768.db2.gz KYNWQHWZRVIGEB-UHFFFAOYSA-N 2 1 335.456 -0.016 20 30 EBEDMP CC(C)[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)N1CCOCC1 ZINC000303787104 649992868 /nfs/dbraw/zinc/99/28/68/649992868.db2.gz SCCFFMUHHJMQSL-MRXNPFEDSA-N 2 1 341.500 -0.030 20 30 EBEDMP CN(C)C(=O)[C@H]1CC[C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)O1 ZINC000305773773 649993899 /nfs/dbraw/zinc/99/38/99/649993899.db2.gz LZLKFYZVVQNWDJ-UONOGXRCSA-N 2 1 341.456 -0.751 20 30 EBEDMP C#CC[NH+]1CCC(NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000917816130 650285346 /nfs/dbraw/zinc/28/53/46/650285346.db2.gz MLVWKKDNPRQKID-UHFFFAOYSA-N 2 1 349.479 -0.064 20 30 EBEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000941414722 652723793 /nfs/dbraw/zinc/72/37/93/652723793.db2.gz YJYMVTJAVLNWJB-NVXWUHKLSA-N 2 1 334.464 -0.136 20 30 EBEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000941414722 652723802 /nfs/dbraw/zinc/72/38/02/652723802.db2.gz YJYMVTJAVLNWJB-NVXWUHKLSA-N 2 1 334.464 -0.136 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000941694230 652885840 /nfs/dbraw/zinc/88/58/40/652885840.db2.gz JRHSHFZFHHIPLX-CVEARBPZSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000941694230 652885843 /nfs/dbraw/zinc/88/58/43/652885843.db2.gz JRHSHFZFHHIPLX-CVEARBPZSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000950755142 654247799 /nfs/dbraw/zinc/24/77/99/654247799.db2.gz FBELVDGVLNIZQQ-OWCLPIDISA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000950755142 654247804 /nfs/dbraw/zinc/24/78/04/654247804.db2.gz FBELVDGVLNIZQQ-OWCLPIDISA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000950755142 654247810 /nfs/dbraw/zinc/24/78/10/654247810.db2.gz FBELVDGVLNIZQQ-OWCLPIDISA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000950755142 654247816 /nfs/dbraw/zinc/24/78/16/654247816.db2.gz FBELVDGVLNIZQQ-OWCLPIDISA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000950755617 654248810 /nfs/dbraw/zinc/24/88/10/654248810.db2.gz QCIFNHXQKBYHAN-CVEARBPZSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000950755617 654248817 /nfs/dbraw/zinc/24/88/17/654248817.db2.gz QCIFNHXQKBYHAN-CVEARBPZSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC000968956512 725134451 /nfs/dbraw/zinc/13/44/51/725134451.db2.gz PFVFJOPUKORXQB-CVEARBPZSA-N 2 1 332.448 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC000968956512 725134452 /nfs/dbraw/zinc/13/44/52/725134452.db2.gz PFVFJOPUKORXQB-CVEARBPZSA-N 2 1 332.448 -0.103 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+]([C@@H]3CCNC3=O)C2)CC1 ZINC000970923950 725342474 /nfs/dbraw/zinc/34/24/74/725342474.db2.gz IQRVIUFTHGLMEN-CZUORRHYSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000974152219 725888350 /nfs/dbraw/zinc/88/83/50/725888350.db2.gz ZBSPKDOUHVHZNN-WCVJEAGWSA-N 2 1 332.448 -0.201 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000974152219 725888352 /nfs/dbraw/zinc/88/83/52/725888352.db2.gz ZBSPKDOUHVHZNN-WCVJEAGWSA-N 2 1 332.448 -0.201 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000974152219 725888354 /nfs/dbraw/zinc/88/83/54/725888354.db2.gz ZBSPKDOUHVHZNN-WCVJEAGWSA-N 2 1 332.448 -0.201 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000974152219 725888355 /nfs/dbraw/zinc/88/83/55/725888355.db2.gz ZBSPKDOUHVHZNN-WCVJEAGWSA-N 2 1 332.448 -0.201 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000996475277 726402678 /nfs/dbraw/zinc/40/26/78/726402678.db2.gz MCIIFEPLTNVFOA-HNNXBMFYSA-N 2 1 330.432 -0.493 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000996475277 726402679 /nfs/dbraw/zinc/40/26/79/726402679.db2.gz MCIIFEPLTNVFOA-HNNXBMFYSA-N 2 1 330.432 -0.493 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC000996683494 726422192 /nfs/dbraw/zinc/42/21/92/726422192.db2.gz CZBIWJHKTUAMJU-HOTGVXAUSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC000996683494 726422193 /nfs/dbraw/zinc/42/21/93/726422193.db2.gz CZBIWJHKTUAMJU-HOTGVXAUSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[N@H+](C)CCO3)nn2)C1 ZINC000999976292 726546289 /nfs/dbraw/zinc/54/62/89/726546289.db2.gz SZLAXWPSUABWOR-CVEARBPZSA-N 2 1 346.435 -0.505 20 30 EBEDMP C#CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)nn2)C1 ZINC000999976292 726546290 /nfs/dbraw/zinc/54/62/90/726546290.db2.gz SZLAXWPSUABWOR-CVEARBPZSA-N 2 1 346.435 -0.505 20 30 EBEDMP C#CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[NH+](C)CCO3)nn2)C1 ZINC000999976292 726546291 /nfs/dbraw/zinc/54/62/91/726546291.db2.gz SZLAXWPSUABWOR-CVEARBPZSA-N 2 1 346.435 -0.505 20 30 EBEDMP C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[NH+](C)CCO3)nn2)C1 ZINC000999976292 726546292 /nfs/dbraw/zinc/54/62/92/726546292.db2.gz SZLAXWPSUABWOR-CVEARBPZSA-N 2 1 346.435 -0.505 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(=O)N(C)C)C2)CC1 ZINC001016336944 728458380 /nfs/dbraw/zinc/45/83/80/728458380.db2.gz OXTIRLZJNGVGFK-GDBMZVCRSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(=O)N(C)C)C2)CC1 ZINC001016336944 728458382 /nfs/dbraw/zinc/45/83/82/728458382.db2.gz OXTIRLZJNGVGFK-GDBMZVCRSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)CC1 ZINC001016336948 728458414 /nfs/dbraw/zinc/45/84/14/728458414.db2.gz OXTIRLZJNGVGFK-GOEBONIOSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)CC1 ZINC001016336948 728458415 /nfs/dbraw/zinc/45/84/15/728458415.db2.gz OXTIRLZJNGVGFK-GOEBONIOSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001022220909 729468414 /nfs/dbraw/zinc/46/84/14/729468414.db2.gz UDKLDEIGKFNXFG-QXSJWSMHSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001022220909 729468415 /nfs/dbraw/zinc/46/84/15/729468415.db2.gz UDKLDEIGKFNXFG-QXSJWSMHSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](CC(=O)NC)C2)CC1 ZINC001023761678 729794160 /nfs/dbraw/zinc/79/41/60/729794160.db2.gz GPSJAHPKLAOAAJ-OAHLLOKOSA-N 2 1 334.464 -0.094 20 30 EBEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001025719391 730078577 /nfs/dbraw/zinc/07/85/77/730078577.db2.gz QDPMPDMGOSBMBZ-ZVDSWSACSA-N 2 1 348.447 -0.850 20 30 EBEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001025719391 730078580 /nfs/dbraw/zinc/07/85/80/730078580.db2.gz QDPMPDMGOSBMBZ-ZVDSWSACSA-N 2 1 348.447 -0.850 20 30 EBEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)CCO2)C1=O ZINC001025719391 730078582 /nfs/dbraw/zinc/07/85/82/730078582.db2.gz QDPMPDMGOSBMBZ-ZVDSWSACSA-N 2 1 348.447 -0.850 20 30 EBEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)CCO2)C1=O ZINC001025719391 730078584 /nfs/dbraw/zinc/07/85/84/730078584.db2.gz QDPMPDMGOSBMBZ-ZVDSWSACSA-N 2 1 348.447 -0.850 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCNC2=O)CC1 ZINC001028333051 730285361 /nfs/dbraw/zinc/28/53/61/730285361.db2.gz BWLOPUNBPGTYCM-JKSUJKDBSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCNC2=O)CC1 ZINC001028333051 730285362 /nfs/dbraw/zinc/28/53/62/730285362.db2.gz BWLOPUNBPGTYCM-JKSUJKDBSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCNC2=O)CC1 ZINC001029596296 730412504 /nfs/dbraw/zinc/41/25/04/730412504.db2.gz ITGMGHQYDZOKMF-BBWFWOEESA-N 2 1 344.459 -0.105 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001033684728 731063257 /nfs/dbraw/zinc/06/32/57/731063257.db2.gz IERBZPMJLHVRAI-MRXNPFEDSA-N 2 1 334.464 -0.048 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001033684728 731063260 /nfs/dbraw/zinc/06/32/60/731063260.db2.gz IERBZPMJLHVRAI-MRXNPFEDSA-N 2 1 334.464 -0.048 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@@H]3C2)CC1 ZINC001042368399 732418848 /nfs/dbraw/zinc/41/88/48/732418848.db2.gz QCFLXTOZFZDJPQ-GDBMZVCRSA-N 2 1 332.448 -0.260 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@@H]3C2)CC1 ZINC001042368399 732418852 /nfs/dbraw/zinc/41/88/52/732418852.db2.gz QCFLXTOZFZDJPQ-GDBMZVCRSA-N 2 1 332.448 -0.260 20 30 EBEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001046013744 733802522 /nfs/dbraw/zinc/80/25/22/733802522.db2.gz IVLLXDWYGBFXPG-SJORKVTESA-N 2 1 334.464 -0.441 20 30 EBEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001046013744 733802527 /nfs/dbraw/zinc/80/25/27/733802527.db2.gz IVLLXDWYGBFXPG-SJORKVTESA-N 2 1 334.464 -0.441 20 30 EBEDMP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046013744 733802534 /nfs/dbraw/zinc/80/25/34/733802534.db2.gz IVLLXDWYGBFXPG-SJORKVTESA-N 2 1 334.464 -0.441 20 30 EBEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046013744 733802537 /nfs/dbraw/zinc/80/25/37/733802537.db2.gz IVLLXDWYGBFXPG-SJORKVTESA-N 2 1 334.464 -0.441 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@@H]2C1 ZINC001048869615 734547265 /nfs/dbraw/zinc/54/72/65/734547265.db2.gz AYIOTCFYWRBHIG-NCOADZHNSA-N 2 1 346.475 -0.049 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]2C1 ZINC001048869615 734547266 /nfs/dbraw/zinc/54/72/66/734547266.db2.gz AYIOTCFYWRBHIG-NCOADZHNSA-N 2 1 346.475 -0.049 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@H](C)C(=O)N(C)C)C[C@@H]2C1 ZINC001048869615 734547268 /nfs/dbraw/zinc/54/72/68/734547268.db2.gz AYIOTCFYWRBHIG-NCOADZHNSA-N 2 1 346.475 -0.049 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@H](C)C(=O)N(C)C)C[C@@H]2C1 ZINC001048869615 734547269 /nfs/dbraw/zinc/54/72/69/734547269.db2.gz AYIOTCFYWRBHIG-NCOADZHNSA-N 2 1 346.475 -0.049 20 30 EBEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930651 740623019 /nfs/dbraw/zinc/62/30/19/740623019.db2.gz WHWNDDNJOQZJIV-FPCVCCKLSA-N 2 1 330.436 -0.017 20 30 EBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930651 740623021 /nfs/dbraw/zinc/62/30/21/740623021.db2.gz WHWNDDNJOQZJIV-FPCVCCKLSA-N 2 1 330.436 -0.017 20 30 EBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930651 740623024 /nfs/dbraw/zinc/62/30/24/740623024.db2.gz WHWNDDNJOQZJIV-FPCVCCKLSA-N 2 1 330.436 -0.017 20 30 EBEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028806 740666123 /nfs/dbraw/zinc/66/61/23/740666123.db2.gz FJYHZRIPVIOUOJ-OAGGEKHMSA-N 2 1 330.436 -0.015 20 30 EBEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028806 740666126 /nfs/dbraw/zinc/66/61/26/740666126.db2.gz FJYHZRIPVIOUOJ-OAGGEKHMSA-N 2 1 330.436 -0.015 20 30 EBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028806 740666129 /nfs/dbraw/zinc/66/61/29/740666129.db2.gz FJYHZRIPVIOUOJ-OAGGEKHMSA-N 2 1 330.436 -0.015 20 30 EBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028806 740666131 /nfs/dbraw/zinc/66/61/31/740666131.db2.gz FJYHZRIPVIOUOJ-OAGGEKHMSA-N 2 1 330.436 -0.015 20 30 EBEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100678 740698029 /nfs/dbraw/zinc/69/80/29/740698029.db2.gz ZNLHIPXTGCESNR-OWCLPIDISA-N 2 1 348.451 -0.084 20 30 EBEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100678 740698032 /nfs/dbraw/zinc/69/80/32/740698032.db2.gz ZNLHIPXTGCESNR-OWCLPIDISA-N 2 1 348.451 -0.084 20 30 EBEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100678 740698035 /nfs/dbraw/zinc/69/80/35/740698035.db2.gz ZNLHIPXTGCESNR-OWCLPIDISA-N 2 1 348.451 -0.084 20 30 EBEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100678 740698038 /nfs/dbraw/zinc/69/80/38/740698038.db2.gz ZNLHIPXTGCESNR-OWCLPIDISA-N 2 1 348.451 -0.084 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@@H](CC)C(N)=O)C2 ZINC001072822890 741494407 /nfs/dbraw/zinc/49/44/07/741494407.db2.gz WFLJQDSJQSOQED-GJZGRUSLSA-N 2 1 332.448 -0.118 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H](CC)C(N)=O)C2 ZINC001072822890 741494409 /nfs/dbraw/zinc/49/44/09/741494409.db2.gz WFLJQDSJQSOQED-GJZGRUSLSA-N 2 1 332.448 -0.118 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H](CC)C(N)=O)C2 ZINC001072822890 741494413 /nfs/dbraw/zinc/49/44/13/741494413.db2.gz WFLJQDSJQSOQED-GJZGRUSLSA-N 2 1 332.448 -0.118 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H](CC)C(N)=O)C2 ZINC001072822890 741494415 /nfs/dbraw/zinc/49/44/15/741494415.db2.gz WFLJQDSJQSOQED-GJZGRUSLSA-N 2 1 332.448 -0.118 20 30 EBEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073709572 741717854 /nfs/dbraw/zinc/71/78/54/741717854.db2.gz AADSAKLOZIRGJF-GARNVTTQSA-N 2 1 333.432 -0.310 20 30 EBEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073709572 741717856 /nfs/dbraw/zinc/71/78/56/741717856.db2.gz AADSAKLOZIRGJF-GARNVTTQSA-N 2 1 333.432 -0.310 20 30 EBEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073709572 741717859 /nfs/dbraw/zinc/71/78/59/741717859.db2.gz AADSAKLOZIRGJF-GARNVTTQSA-N 2 1 333.432 -0.310 20 30 EBEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073709572 741717861 /nfs/dbraw/zinc/71/78/61/741717861.db2.gz AADSAKLOZIRGJF-GARNVTTQSA-N 2 1 333.432 -0.310 20 30 EBEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073709573 741717933 /nfs/dbraw/zinc/71/79/33/741717933.db2.gz AADSAKLOZIRGJF-LPMVOBIJSA-N 2 1 333.432 -0.310 20 30 EBEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073709573 741717937 /nfs/dbraw/zinc/71/79/37/741717937.db2.gz AADSAKLOZIRGJF-LPMVOBIJSA-N 2 1 333.432 -0.310 20 30 EBEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073709573 741717940 /nfs/dbraw/zinc/71/79/40/741717940.db2.gz AADSAKLOZIRGJF-LPMVOBIJSA-N 2 1 333.432 -0.310 20 30 EBEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073709573 741717941 /nfs/dbraw/zinc/71/79/41/741717941.db2.gz AADSAKLOZIRGJF-LPMVOBIJSA-N 2 1 333.432 -0.310 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](C[C@H](C)O)CCCO2)CC1 ZINC001073899556 741780967 /nfs/dbraw/zinc/78/09/67/741780967.db2.gz WVZJROSPDYIQJH-DOTOQJQBSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCCO)CCCO2)CC1 ZINC001073898771 741781134 /nfs/dbraw/zinc/78/11/34/741781134.db2.gz BNDQEQAHKGITRA-QGZVFWFLSA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000978285041 804767436 /nfs/dbraw/zinc/76/74/36/804767436.db2.gz UZYATRFPOYQRGG-NXOAAHMSSA-N 2 1 344.459 -0.390 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000978285041 804767440 /nfs/dbraw/zinc/76/74/40/804767440.db2.gz UZYATRFPOYQRGG-NXOAAHMSSA-N 2 1 344.459 -0.390 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(=O)N3CCC3)C[C@H]21 ZINC000978285041 804767445 /nfs/dbraw/zinc/76/74/45/804767445.db2.gz UZYATRFPOYQRGG-NXOAAHMSSA-N 2 1 344.459 -0.390 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(=O)N3CCC3)C[C@H]21 ZINC000978285041 804767450 /nfs/dbraw/zinc/76/74/50/804767450.db2.gz UZYATRFPOYQRGG-NXOAAHMSSA-N 2 1 344.459 -0.390 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)CC1 ZINC000979084284 805126792 /nfs/dbraw/zinc/12/67/92/805126792.db2.gz DMWLIQZFOMOHJZ-MIGQKNRLSA-N 2 1 332.448 -0.501 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)[C@H]2C)CC1 ZINC000987577380 807960963 /nfs/dbraw/zinc/96/09/63/807960963.db2.gz UJLPCQHHGACQEN-UKRRQHHQSA-N 2 1 345.451 -0.366 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3nnnn3C)C[C@H]2C)CC1 ZINC000989829735 808605670 /nfs/dbraw/zinc/60/56/70/808605670.db2.gz VPTFZIPAHCWNJK-HIFRSBDPSA-N 2 1 345.451 -0.366 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001002248810 809690193 /nfs/dbraw/zinc/69/01/93/809690193.db2.gz SCBFPBXSLVIJQG-OIISXLGYSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001002248810 809690194 /nfs/dbraw/zinc/69/01/94/809690194.db2.gz SCBFPBXSLVIJQG-OIISXLGYSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001002248810 809690196 /nfs/dbraw/zinc/69/01/96/809690196.db2.gz SCBFPBXSLVIJQG-OIISXLGYSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001002248810 809690198 /nfs/dbraw/zinc/69/01/98/809690198.db2.gz SCBFPBXSLVIJQG-OIISXLGYSA-N 2 1 346.475 -0.001 20 30 EBEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001214852866 810286848 /nfs/dbraw/zinc/28/68/48/810286848.db2.gz MMCQKTHKBZDRCM-BRWVUGGUSA-N 2 1 347.463 -0.100 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215396802 810326000 /nfs/dbraw/zinc/32/60/00/810326000.db2.gz CRQSRIWYGUZMJD-FXUDXRNXSA-N 2 1 334.464 -0.097 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215929173 810351783 /nfs/dbraw/zinc/35/17/83/810351783.db2.gz ADHPDBKTPJXGJH-HUUCEWRRSA-N 2 1 338.452 -0.553 20 30 EBEDMP N#Cc1ccccc1C[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764934 810831292 /nfs/dbraw/zinc/83/12/92/810831292.db2.gz POOZRQRICBHUHZ-COXVUDFISA-N 2 1 327.432 -0.162 20 30 EBEDMP N#Cc1ccccc1C[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764934 810831300 /nfs/dbraw/zinc/83/13/00/810831300.db2.gz POOZRQRICBHUHZ-COXVUDFISA-N 2 1 327.432 -0.162 20 30 EBEDMP C[NH+](C)[C@H](C(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1)C1CC1 ZINC001223467081 811708077 /nfs/dbraw/zinc/70/80/77/811708077.db2.gz WYVWGTHKHHPKFJ-INIZCTEOSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[NH+](C)[C@@H](C(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1)C1CC1 ZINC001223467082 811708496 /nfs/dbraw/zinc/70/84/96/811708496.db2.gz WYVWGTHKHHPKFJ-MRXNPFEDSA-N 2 1 335.452 -0.205 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001224546131 811764567 /nfs/dbraw/zinc/76/45/67/811764567.db2.gz INZMJFYKJZYKTN-ZBFHGGJFSA-N 2 1 334.464 -0.238 20 30 EBEDMP N#CCNC(=O)C[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001225154713 811796372 /nfs/dbraw/zinc/79/63/72/811796372.db2.gz GHCVPDFOGOBCBJ-UHFFFAOYSA-N 2 1 333.436 -0.450 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC(NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001227619622 811930891 /nfs/dbraw/zinc/93/08/91/811930891.db2.gz SMSHDJGADYEXCG-OAHLLOKOSA-N 2 1 340.443 -0.004 20 30 EBEDMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC#N)C1 ZINC001229691771 812048636 /nfs/dbraw/zinc/04/86/36/812048636.db2.gz AIENTRVTXYYWBX-RRFJBIMHSA-N 2 1 335.452 -0.015 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC)C[C@H]2C)CC1 ZINC001080998121 812434254 /nfs/dbraw/zinc/43/42/54/812434254.db2.gz TWADCLRAZAVGTR-IIAWOOMASA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@H]2C)CC1 ZINC001080998121 812434257 /nfs/dbraw/zinc/43/42/57/812434257.db2.gz TWADCLRAZAVGTR-IIAWOOMASA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001264080928 813149266 /nfs/dbraw/zinc/14/92/66/813149266.db2.gz ZVFJXAZLCVTXGV-QGZVFWFLSA-N 2 1 347.463 -0.023 20 30 EBEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001264391299 813170203 /nfs/dbraw/zinc/17/02/03/813170203.db2.gz RYGXZJXNZMRPIZ-QLFBSQMISA-N 2 1 335.452 -0.017 20 30 EBEDMP C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001264566608 813181860 /nfs/dbraw/zinc/18/18/60/813181860.db2.gz AIVXQMUDVXOSCC-KFWWJZLASA-N 2 1 335.452 -0.205 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001266079047 813452745 /nfs/dbraw/zinc/45/27/45/813452745.db2.gz NGFLCAQEVWVUEO-ZIAGYGMSSA-N 2 1 332.408 -0.152 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001266901821 813695769 /nfs/dbraw/zinc/69/57/69/813695769.db2.gz AGSARVPFMYWHCB-RNGZQALNSA-N 2 1 344.459 -0.201 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001266901821 813695773 /nfs/dbraw/zinc/69/57/73/813695773.db2.gz AGSARVPFMYWHCB-RNGZQALNSA-N 2 1 344.459 -0.201 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001266901821 813695781 /nfs/dbraw/zinc/69/57/81/813695781.db2.gz AGSARVPFMYWHCB-RNGZQALNSA-N 2 1 344.459 -0.201 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001266901821 813695786 /nfs/dbraw/zinc/69/57/86/813695786.db2.gz AGSARVPFMYWHCB-RNGZQALNSA-N 2 1 344.459 -0.201 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001267297994 813832480 /nfs/dbraw/zinc/83/24/80/813832480.db2.gz LQCGIZHMMWGAPY-AWEZNQCLSA-N 2 1 333.436 -0.307 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001267297994 813832491 /nfs/dbraw/zinc/83/24/91/813832491.db2.gz LQCGIZHMMWGAPY-AWEZNQCLSA-N 2 1 333.436 -0.307 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CCOCCO)C2)CC1 ZINC001267309688 813840350 /nfs/dbraw/zinc/84/03/50/813840350.db2.gz NTVXLYXSMYJBFM-MRXNPFEDSA-N 2 1 337.464 -0.221 20 30 EBEDMP C[N@H+]1CCCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001267557281 813930383 /nfs/dbraw/zinc/93/03/83/813930383.db2.gz BJZCXAMNYRBIDK-GJZGRUSLSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[NH+]1CCCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267557281 813930387 /nfs/dbraw/zinc/93/03/87/813930387.db2.gz BJZCXAMNYRBIDK-GJZGRUSLSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[NH+]1CCCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267557281 813930392 /nfs/dbraw/zinc/93/03/92/813930392.db2.gz BJZCXAMNYRBIDK-GJZGRUSLSA-N 2 1 335.452 -0.061 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001268143362 814134026 /nfs/dbraw/zinc/13/40/26/814134026.db2.gz UMXVFCXTUCBKRE-ZFWWWQNUSA-N 2 1 331.420 -0.232 20 30 EBEDMP C[NH+](C)CCCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC(=O)NCC#N)C1 ZINC001268269114 814168589 /nfs/dbraw/zinc/16/85/89/814168589.db2.gz SYBKJZKKACYDGY-CABCVRRESA-N 2 1 335.452 -0.109 20 30 EBEDMP C[NH+](C)CCCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC(=O)NCC#N)C1 ZINC001268269127 814168934 /nfs/dbraw/zinc/16/89/34/814168934.db2.gz SYBKJZKKACYDGY-LSDHHAIUSA-N 2 1 335.452 -0.109 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001268291506 814173941 /nfs/dbraw/zinc/17/39/41/814173941.db2.gz MWDRBVKSZXTXGS-HUUCEWRRSA-N 2 1 331.420 -0.185 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)CC1 ZINC001268333383 814212534 /nfs/dbraw/zinc/21/25/34/814212534.db2.gz DHLLGCYOAYZFJN-OAHLLOKOSA-N 2 1 331.420 -0.612 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@@H](O)Cn1cccn1 ZINC001268691039 814353587 /nfs/dbraw/zinc/35/35/87/814353587.db2.gz ZJVZYJTZBPHCEY-XHSDSOJGSA-N 2 1 333.436 -0.564 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@@H](O)Cn1cccn1 ZINC001268691039 814353595 /nfs/dbraw/zinc/35/35/95/814353595.db2.gz ZJVZYJTZBPHCEY-XHSDSOJGSA-N 2 1 333.436 -0.564 20 30 EBEDMP CCC[N@H+]1CCC[C@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001269475979 814707429 /nfs/dbraw/zinc/70/74/29/814707429.db2.gz VZZVWJWTYTXOCL-AWEZNQCLSA-N 2 1 335.452 -0.013 20 30 EBEDMP C[N@H+]1CC[C@@H](CC(=O)N[C@](C)(C[NH2+]CC(=O)NCC#N)C2CC2)C1 ZINC001269644446 814755195 /nfs/dbraw/zinc/75/51/95/814755195.db2.gz FUZVERWYEALIMZ-SUMWQHHRSA-N 2 1 335.452 -0.158 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001269980379 815655577 /nfs/dbraw/zinc/65/55/77/815655577.db2.gz GHHZKTTVGDSEGV-JSGCOSHPSA-N 2 1 332.408 -0.200 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)CC1 ZINC001084087856 815825448 /nfs/dbraw/zinc/82/54/48/815825448.db2.gz DKJNLHUBNDSMNN-SJORKVTESA-N 2 1 345.447 -0.610 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)CC1 ZINC001084087856 815825455 /nfs/dbraw/zinc/82/54/55/815825455.db2.gz DKJNLHUBNDSMNN-SJORKVTESA-N 2 1 345.447 -0.610 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](CC)OC)C[C@@H]2O)CC1 ZINC001084090245 815827311 /nfs/dbraw/zinc/82/73/11/815827311.db2.gz QSDDMKKHLORASA-ZACQAIPSSA-N 2 1 337.464 -0.082 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](C[C@@H](O)COC)C2)CC1 ZINC001270658825 815846062 /nfs/dbraw/zinc/84/60/62/815846062.db2.gz QIAVPPRMWMWORV-SJLPKXTDSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001271629090 816169360 /nfs/dbraw/zinc/16/93/60/816169360.db2.gz LZLKDBNQQNUUMD-CABCVRRESA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001086390194 816315877 /nfs/dbraw/zinc/31/58/77/816315877.db2.gz GNJIBKMSMCSLCI-DZKIICNBSA-N 2 1 330.436 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001086390194 816315884 /nfs/dbraw/zinc/31/58/84/816315884.db2.gz GNJIBKMSMCSLCI-DZKIICNBSA-N 2 1 330.436 -0.103 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]C[C@@H](O)c1ccccc1 ZINC001272443125 816433200 /nfs/dbraw/zinc/43/32/00/816433200.db2.gz LKKOEIZMWCIKTP-FGTMMUONSA-N 2 1 345.443 -0.116 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]C[C@@H](O)c1ccccc1 ZINC001272443125 816433201 /nfs/dbraw/zinc/43/32/01/816433201.db2.gz LKKOEIZMWCIKTP-FGTMMUONSA-N 2 1 345.443 -0.116 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001273176333 816600342 /nfs/dbraw/zinc/60/03/42/816600342.db2.gz SPBPOEJOOXWJRZ-QWHCGFSZSA-N 2 1 339.440 -0.566 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC001273276945 816628682 /nfs/dbraw/zinc/62/86/82/816628682.db2.gz OFQJMALDSGJYID-LSDHHAIUSA-N 2 1 338.452 -0.410 20 30 EBEDMP C#CCN1C(=O)C[C@@]2(CCC[N@H+](CC(=O)N3CCN(C)CC3)C2)C1=O ZINC001273836641 816780910 /nfs/dbraw/zinc/78/09/10/816780910.db2.gz SPKIAYMPGDHKQA-GOSISDBHSA-N 2 1 346.431 -0.765 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@H]1CCCN(C)C1=O ZINC001274096898 816867394 /nfs/dbraw/zinc/86/73/94/816867394.db2.gz LBGCSPWGIBUDNV-UDLYIEAKSA-N 2 1 332.448 -0.033 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@H]1CCCN(C)C1=O ZINC001274096898 816867397 /nfs/dbraw/zinc/86/73/97/816867397.db2.gz LBGCSPWGIBUDNV-UDLYIEAKSA-N 2 1 332.448 -0.033 20 30 EBEDMP C#CCNC(=O)CNC1(CNC(=O)[C@@H]2CCn3cncc3C2)CC1 ZINC001277094097 817520301 /nfs/dbraw/zinc/52/03/01/817520301.db2.gz LAQUTYGWTTXWSC-CYBMUJFWSA-N 2 1 329.404 -0.567 20 30 EBEDMP C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(C)CCC[NH+](CC(=O)NCC#N)C2)C1 ZINC001278688507 817794142 /nfs/dbraw/zinc/79/41/42/817794142.db2.gz WYQHYADYBSPTQY-WMLDXEAASA-N 2 1 335.452 -0.204 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)NC[C@@]2(C)CCC[NH+](CC(=O)NCC#N)C2)C1 ZINC001278688507 817794145 /nfs/dbraw/zinc/79/41/45/817794145.db2.gz WYQHYADYBSPTQY-WMLDXEAASA-N 2 1 335.452 -0.204 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)NC[C@@]2(C)CCC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001278688507 817794148 /nfs/dbraw/zinc/79/41/48/817794148.db2.gz WYQHYADYBSPTQY-WMLDXEAASA-N 2 1 335.452 -0.204 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)NC[C@@]2(C)CCC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001278688507 817794150 /nfs/dbraw/zinc/79/41/50/817794150.db2.gz WYQHYADYBSPTQY-WMLDXEAASA-N 2 1 335.452 -0.204 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCN1CCNC1=O ZINC001281722317 818270691 /nfs/dbraw/zinc/27/06/91/818270691.db2.gz SIQKYVOMVPAVSX-GJZGRUSLSA-N 2 1 335.452 -0.406 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCN1CCNC1=O ZINC001281722317 818270696 /nfs/dbraw/zinc/27/06/96/818270696.db2.gz SIQKYVOMVPAVSX-GJZGRUSLSA-N 2 1 335.452 -0.406 20 30 EBEDMP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2=O)C1 ZINC001094736212 818390207 /nfs/dbraw/zinc/39/02/07/818390207.db2.gz FRNKAJCLDWKHLV-RDJZCZTQSA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC001282497390 818441414 /nfs/dbraw/zinc/44/14/14/818441414.db2.gz NOTQEJGQQRVVDP-GOEBONIOSA-N 2 1 334.464 -0.001 20 30 EBEDMP C[N@H+](CC(=O)NC[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21)C1CCC1 ZINC001282862642 818506038 /nfs/dbraw/zinc/50/60/38/818506038.db2.gz XCOXFAREUXVOPZ-QKDCVEJESA-N 2 1 333.436 -0.596 20 30 EBEDMP C[N@@H+](CC(=O)NC[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21)C1CCC1 ZINC001282862642 818506042 /nfs/dbraw/zinc/50/60/42/818506042.db2.gz XCOXFAREUXVOPZ-QKDCVEJESA-N 2 1 333.436 -0.596 20 30 EBEDMP C[NH+](CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21)C1CCC1 ZINC001282862642 818506049 /nfs/dbraw/zinc/50/60/49/818506049.db2.gz XCOXFAREUXVOPZ-QKDCVEJESA-N 2 1 333.436 -0.596 20 30 EBEDMP C[NH+](CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21)C1CCC1 ZINC001282862642 818506055 /nfs/dbraw/zinc/50/60/55/818506055.db2.gz XCOXFAREUXVOPZ-QKDCVEJESA-N 2 1 333.436 -0.596 20 30 EBEDMP C[NH+](C)CC1(C(=O)N2CCC([N@@H+](C)CC(=O)NCC#N)CC2)CC1 ZINC001283324739 818759582 /nfs/dbraw/zinc/75/95/82/818759582.db2.gz CUZAISOGNJAMCP-UHFFFAOYSA-N 2 1 335.452 -0.109 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001283520071 818837770 /nfs/dbraw/zinc/83/77/70/818837770.db2.gz FWFQWMPIJUMHSQ-AWEZNQCLSA-N 2 1 332.408 -0.342 20 30 EBEDMP COCC#CC[N@@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098467494 819203939 /nfs/dbraw/zinc/20/39/39/819203939.db2.gz GMFRIQGNWGGSCJ-UHFFFAOYSA-N 2 1 325.453 -0.127 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099529728 819477689 /nfs/dbraw/zinc/47/76/89/819477689.db2.gz VJFUWXBACZAAPP-NXOAAHMSSA-N 2 1 346.475 -0.144 20 30 EBEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](O)C1 ZINC001099892628 819846165 /nfs/dbraw/zinc/84/61/65/819846165.db2.gz MNNIHPMTDCCLDJ-HZPDHXFCSA-N 2 1 337.464 -0.081 20 30 EBEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100037183 820096085 /nfs/dbraw/zinc/09/60/85/820096085.db2.gz VLDMKOBVUKDDDN-JKSUJKDBSA-N 2 1 341.452 -0.537 20 30 EBEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100037183 820096095 /nfs/dbraw/zinc/09/60/95/820096095.db2.gz VLDMKOBVUKDDDN-JKSUJKDBSA-N 2 1 341.452 -0.537 20 30 EBEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100037181 820096455 /nfs/dbraw/zinc/09/64/55/820096455.db2.gz VLDMKOBVUKDDDN-HOTGVXAUSA-N 2 1 341.452 -0.537 20 30 EBEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100037181 820096466 /nfs/dbraw/zinc/09/64/66/820096466.db2.gz VLDMKOBVUKDDDN-HOTGVXAUSA-N 2 1 341.452 -0.537 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102156407 821038801 /nfs/dbraw/zinc/03/88/01/821038801.db2.gz SBGPDXWYKHZNSP-UKRRQHHQSA-N 2 1 331.420 -0.375 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102156407 821038806 /nfs/dbraw/zinc/03/88/06/821038806.db2.gz SBGPDXWYKHZNSP-UKRRQHHQSA-N 2 1 331.420 -0.375 20 30 EBEDMP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C)[NH+](C)C ZINC001102337564 821072248 /nfs/dbraw/zinc/07/22/48/821072248.db2.gz IRGHYDUYLWIJHH-IIAWOOMASA-N 2 1 337.468 -0.104 20 30 EBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001102515090 821137110 /nfs/dbraw/zinc/13/71/10/821137110.db2.gz CMIDRAFMBIYZSS-ZIAGYGMSSA-N 2 1 333.436 -0.594 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579410 821160883 /nfs/dbraw/zinc/16/08/83/821160883.db2.gz WFIKGZKDNDFVFV-OWCLPIDISA-N 2 1 334.464 -0.096 20 30 EBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103718680 821345556 /nfs/dbraw/zinc/34/55/56/821345556.db2.gz ASEWPOZTGFNWFO-RBSFLKMASA-N 2 1 335.452 -0.348 20 30 EBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001103718680 821345560 /nfs/dbraw/zinc/34/55/60/821345560.db2.gz ASEWPOZTGFNWFO-RBSFLKMASA-N 2 1 335.452 -0.348 20 30 EBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001103718680 821345569 /nfs/dbraw/zinc/34/55/69/821345569.db2.gz ASEWPOZTGFNWFO-RBSFLKMASA-N 2 1 335.452 -0.348 20 30 EBEDMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104000172 821385667 /nfs/dbraw/zinc/38/56/67/821385667.db2.gz XWDPACUPTFKGLY-KFWWJZLASA-N 2 1 335.452 -0.205 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001103999811 821385698 /nfs/dbraw/zinc/38/56/98/821385698.db2.gz LLBKGSDUBXGVRX-OAGGEKHMSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001316652937 821826039 /nfs/dbraw/zinc/82/60/39/821826039.db2.gz RGDJGELYFQBOOK-MJBXVCDLSA-N 2 1 349.435 -0.847 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001316652937 821826048 /nfs/dbraw/zinc/82/60/48/821826048.db2.gz RGDJGELYFQBOOK-MJBXVCDLSA-N 2 1 349.435 -0.847 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](C[C@@H](O)COC)C1 ZINC001317133037 822014197 /nfs/dbraw/zinc/01/41/97/822014197.db2.gz UYZZSIVSYWXZSY-ZACQAIPSSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)COC)C1 ZINC001317133037 822014205 /nfs/dbraw/zinc/01/42/05/822014205.db2.gz UYZZSIVSYWXZSY-ZACQAIPSSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](C[C@@H](O)COC)C1 ZINC001317133037 822014212 /nfs/dbraw/zinc/01/42/12/822014212.db2.gz UYZZSIVSYWXZSY-ZACQAIPSSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](C[C@@H](O)COC)C1 ZINC001317133037 822014219 /nfs/dbraw/zinc/01/42/19/822014219.db2.gz UYZZSIVSYWXZSY-ZACQAIPSSA-N 2 1 337.464 -0.081 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317287363 822064418 /nfs/dbraw/zinc/06/44/18/822064418.db2.gz AVVLYFAWCKJPFO-RYUDHWBXSA-N 2 1 325.413 -0.956 20 30 EBEDMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106322388 822246781 /nfs/dbraw/zinc/24/67/81/822246781.db2.gz NCXAIGDVTLRNIT-KFWWJZLASA-N 2 1 335.452 -0.205 20 30 EBEDMP CC[C@@H](CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)[NH2+]CC(=O)NCC#N ZINC001318568723 822337446 /nfs/dbraw/zinc/33/74/46/822337446.db2.gz CFHQXXVCDXIBCG-KBPBESRZSA-N 2 1 346.435 -0.122 20 30 EBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129362580 828604364 /nfs/dbraw/zinc/60/43/64/828604364.db2.gz AGWLLSXKWSSNDH-OAHLLOKOSA-N 2 1 338.452 -0.362 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129535712 828632185 /nfs/dbraw/zinc/63/21/85/828632185.db2.gz ZDVKPJBBESDPFQ-LBPRGKRZSA-N 2 1 339.440 -0.423 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@]2(C)C[N@H+](C[C@@H](C)O)CCO2)CC1 ZINC001108419427 824275859 /nfs/dbraw/zinc/27/58/59/824275859.db2.gz LBKWOSCWTLHCMD-CRAIPNDOSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@]2(C)C[N@@H+](C[C@@H](C)O)CCO2)CC1 ZINC001108419427 824275867 /nfs/dbraw/zinc/27/58/67/824275867.db2.gz LBKWOSCWTLHCMD-CRAIPNDOSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NCC=C ZINC001129790666 828670061 /nfs/dbraw/zinc/67/00/61/828670061.db2.gz GJRVDFDKTWVDFU-KGLIPLIRSA-N 2 1 349.435 -0.810 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NCC=C ZINC001129790666 828670063 /nfs/dbraw/zinc/67/00/63/828670063.db2.gz GJRVDFDKTWVDFU-KGLIPLIRSA-N 2 1 349.435 -0.810 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NCC=C ZINC001129790665 828670530 /nfs/dbraw/zinc/67/05/30/828670530.db2.gz GJRVDFDKTWVDFU-KBPBESRZSA-N 2 1 349.435 -0.810 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NCC=C ZINC001129790665 828670533 /nfs/dbraw/zinc/67/05/33/828670533.db2.gz GJRVDFDKTWVDFU-KBPBESRZSA-N 2 1 349.435 -0.810 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC#CC)[C@@H](n2ccnn2)C1 ZINC001129897842 828690316 /nfs/dbraw/zinc/69/03/16/828690316.db2.gz JXGCOYWJGUKZHO-IKGGRYGDSA-N 2 1 340.431 -0.260 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC#CC)[C@@H](n2ccnn2)C1 ZINC001129897842 828690318 /nfs/dbraw/zinc/69/03/18/828690318.db2.gz JXGCOYWJGUKZHO-IKGGRYGDSA-N 2 1 340.431 -0.260 20 30 EBEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129858087 828682482 /nfs/dbraw/zinc/68/24/82/828682482.db2.gz OTSFLNJRZRPURJ-FPCVCCKLSA-N 2 1 330.436 -0.017 20 30 EBEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001130040939 828719596 /nfs/dbraw/zinc/71/95/96/828719596.db2.gz UETCLMGVTPWNCP-CVEARBPZSA-N 2 1 346.435 -0.635 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130421948 828827358 /nfs/dbraw/zinc/82/73/58/828827358.db2.gz QKZMTHKWQQTOJV-GFCCVEGCSA-N 2 1 341.456 -0.177 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@H+](C)CC ZINC001114483823 826262796 /nfs/dbraw/zinc/26/27/96/826262796.db2.gz NCKISRVXSSZIAX-BYNSBNAKSA-N 2 1 334.464 -0.099 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)CC ZINC001114483823 826262798 /nfs/dbraw/zinc/26/27/98/826262798.db2.gz NCKISRVXSSZIAX-BYNSBNAKSA-N 2 1 334.464 -0.099 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)CC ZINC001114483823 826262799 /nfs/dbraw/zinc/26/27/99/826262799.db2.gz NCKISRVXSSZIAX-BYNSBNAKSA-N 2 1 334.464 -0.099 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115144264 826433109 /nfs/dbraw/zinc/43/31/09/826433109.db2.gz UKCCFYUXZWVDQS-AIANPOQGSA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001121772885 827446863 /nfs/dbraw/zinc/44/68/63/827446863.db2.gz JTRJFSBMYWXSMU-VICYEXPPSA-N 2 1 346.475 -0.050 20 30 EBEDMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001183241039 833284568 /nfs/dbraw/zinc/28/45/68/833284568.db2.gz ZTTRHTCJQHINNG-LSDHHAIUSA-N 2 1 335.452 -0.205 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127660262 828312899 /nfs/dbraw/zinc/31/28/99/828312899.db2.gz SZJJHGFSUKXRPI-YNEHKIRRSA-N 2 1 339.440 -0.567 20 30 EBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1cncn1C ZINC001130946073 829000807 /nfs/dbraw/zinc/00/08/07/829000807.db2.gz IXTDFIBHKJRKHU-BFYDXBDKSA-N 2 1 345.447 -0.342 20 30 EBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1cncn1C ZINC001130946073 829000814 /nfs/dbraw/zinc/00/08/14/829000814.db2.gz IXTDFIBHKJRKHU-BFYDXBDKSA-N 2 1 345.447 -0.342 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001131423853 829137779 /nfs/dbraw/zinc/13/77/79/829137779.db2.gz AKIWFUKHXJQBFX-CYBMUJFWSA-N 2 1 331.420 -0.394 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001185669504 833366639 /nfs/dbraw/zinc/36/66/39/833366639.db2.gz RRNUOSGYFVYNTL-HUUCEWRRSA-N 2 1 343.431 -0.306 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133833895 829680972 /nfs/dbraw/zinc/68/09/72/829680972.db2.gz IXAHUROHZQBTBJ-LBPRGKRZSA-N 2 1 325.413 -0.812 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133850598 829686472 /nfs/dbraw/zinc/68/64/72/829686472.db2.gz NWPPWDOKGYLLFY-CHWSQXEVSA-N 2 1 339.440 -0.566 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)NCC)C[C@H]2C)CC1 ZINC001211306497 837425931 /nfs/dbraw/zinc/42/59/31/837425931.db2.gz CSAVZMFYEJPNPQ-GDBMZVCRSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)NCC)C[C@H]2C)CC1 ZINC001211306497 837425938 /nfs/dbraw/zinc/42/59/38/837425938.db2.gz CSAVZMFYEJPNPQ-GDBMZVCRSA-N 2 1 334.464 -0.096 20 30 EBEDMP C[N@@H+](CC(=O)N1CC2(C1)CCN(CC(=O)NCC#N)C2)C1CCC1 ZINC001147723466 830401714 /nfs/dbraw/zinc/40/17/14/830401714.db2.gz BIZUBQSEPWMROD-UHFFFAOYSA-N 2 1 333.436 -0.355 20 30 EBEDMP C[N@@H+](CC(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)C2)C1CCC1 ZINC001147723466 830401726 /nfs/dbraw/zinc/40/17/26/830401726.db2.gz BIZUBQSEPWMROD-UHFFFAOYSA-N 2 1 333.436 -0.355 20 30 EBEDMP C[NH+](CC(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC#N)C2)C1CCC1 ZINC001147723466 830401730 /nfs/dbraw/zinc/40/17/30/830401730.db2.gz BIZUBQSEPWMROD-UHFFFAOYSA-N 2 1 333.436 -0.355 20 30 EBEDMP C[NH+](CC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC#N)C2)C1CCC1 ZINC001147723466 830401734 /nfs/dbraw/zinc/40/17/34/830401734.db2.gz BIZUBQSEPWMROD-UHFFFAOYSA-N 2 1 333.436 -0.355 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147900507 830428209 /nfs/dbraw/zinc/42/82/09/830428209.db2.gz OXHANMCSOWIRQU-STQMWFEESA-N 2 1 339.440 -0.566 20 30 EBEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001151748719 831108254 /nfs/dbraw/zinc/10/82/54/831108254.db2.gz JCMIGKIOXIEQST-OAHLLOKOSA-N 2 1 340.468 -0.163 20 30 EBEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001151748719 831108255 /nfs/dbraw/zinc/10/82/55/831108255.db2.gz JCMIGKIOXIEQST-OAHLLOKOSA-N 2 1 340.468 -0.163 20 30 EBEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001157091808 831533291 /nfs/dbraw/zinc/53/32/91/831533291.db2.gz CLCSFEOOMLFPQT-MRXNPFEDSA-N 2 1 346.475 -0.092 20 30 EBEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001157091808 831533298 /nfs/dbraw/zinc/53/32/98/831533298.db2.gz CLCSFEOOMLFPQT-MRXNPFEDSA-N 2 1 346.475 -0.092 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H](O)COCCOC ZINC001160209800 831824652 /nfs/dbraw/zinc/82/46/52/831824652.db2.gz XFNVFMIELKTHAP-HOTGVXAUSA-N 2 1 341.452 -0.796 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H](O)COCCOC ZINC001160209800 831824659 /nfs/dbraw/zinc/82/46/59/831824659.db2.gz XFNVFMIELKTHAP-HOTGVXAUSA-N 2 1 341.452 -0.796 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)Nc1cnccn1 ZINC001160198085 831824829 /nfs/dbraw/zinc/82/48/29/831824829.db2.gz QWXCPEYFGVITBE-AWEZNQCLSA-N 2 1 344.419 -0.391 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)Nc1cnccn1 ZINC001160198085 831824831 /nfs/dbraw/zinc/82/48/31/831824831.db2.gz QWXCPEYFGVITBE-AWEZNQCLSA-N 2 1 344.419 -0.391 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001165545964 832226512 /nfs/dbraw/zinc/22/65/12/832226512.db2.gz UUKJNJOMVVUWQT-CABCVRRESA-N 2 1 332.448 -0.151 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001165545964 832226514 /nfs/dbraw/zinc/22/65/14/832226514.db2.gz UUKJNJOMVVUWQT-CABCVRRESA-N 2 1 332.448 -0.151 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001167733048 832368060 /nfs/dbraw/zinc/36/80/60/832368060.db2.gz SSKKBEHTAHRQDJ-OAHLLOKOSA-N 2 1 334.464 -0.046 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001176636672 832684562 /nfs/dbraw/zinc/68/45/62/832684562.db2.gz SIEQLUKGHIROBJ-ZIAGYGMSSA-N 2 1 326.441 -0.506 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001176636672 832684563 /nfs/dbraw/zinc/68/45/63/832684563.db2.gz SIEQLUKGHIROBJ-ZIAGYGMSSA-N 2 1 326.441 -0.506 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188931809 834106862 /nfs/dbraw/zinc/10/68/62/834106862.db2.gz KBIALAWPAZTNNF-LUKYLMHMSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188931809 834106865 /nfs/dbraw/zinc/10/68/65/834106865.db2.gz KBIALAWPAZTNNF-LUKYLMHMSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188931809 834106870 /nfs/dbraw/zinc/10/68/70/834106870.db2.gz KBIALAWPAZTNNF-LUKYLMHMSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188931809 834106875 /nfs/dbraw/zinc/10/68/75/834106875.db2.gz KBIALAWPAZTNNF-LUKYLMHMSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001189788218 834191934 /nfs/dbraw/zinc/19/19/34/834191934.db2.gz VJWDOTPPTGAJSW-OWCLPIDISA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189788218 834191937 /nfs/dbraw/zinc/19/19/37/834191937.db2.gz VJWDOTPPTGAJSW-OWCLPIDISA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189788218 834191944 /nfs/dbraw/zinc/19/19/44/834191944.db2.gz VJWDOTPPTGAJSW-OWCLPIDISA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189788218 834191946 /nfs/dbraw/zinc/19/19/46/834191946.db2.gz VJWDOTPPTGAJSW-OWCLPIDISA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190177499 834238455 /nfs/dbraw/zinc/23/84/55/834238455.db2.gz NPWXNWAMMWZYGB-HRCADAONSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190177499 834238464 /nfs/dbraw/zinc/23/84/64/834238464.db2.gz NPWXNWAMMWZYGB-HRCADAONSA-N 2 1 332.448 -0.247 20 30 EBEDMP C[N@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191136608 834420454 /nfs/dbraw/zinc/42/04/54/834420454.db2.gz MPBLEPISBZWDEF-CQSZACIVSA-N 2 1 333.436 -0.213 20 30 EBEDMP C[N@@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191136608 834420458 /nfs/dbraw/zinc/42/04/58/834420458.db2.gz MPBLEPISBZWDEF-CQSZACIVSA-N 2 1 333.436 -0.213 20 30 EBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001191967048 834580285 /nfs/dbraw/zinc/58/02/85/834580285.db2.gz CPPFKLUCLRMNBG-JYJNAYRXSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001191967048 834580294 /nfs/dbraw/zinc/58/02/94/834580294.db2.gz CPPFKLUCLRMNBG-JYJNAYRXSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001191967048 834580301 /nfs/dbraw/zinc/58/03/01/834580301.db2.gz CPPFKLUCLRMNBG-JYJNAYRXSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001191967048 834580311 /nfs/dbraw/zinc/58/03/11/834580311.db2.gz CPPFKLUCLRMNBG-JYJNAYRXSA-N 2 1 334.464 -0.001 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488060 834887925 /nfs/dbraw/zinc/88/79/25/834887925.db2.gz LMIORPVXZMWSEX-HUUCEWRRSA-N 2 1 340.468 -0.212 20 30 EBEDMP C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001193695090 834927684 /nfs/dbraw/zinc/92/76/84/834927684.db2.gz GAFBTTUJYKDYRU-UONOGXRCSA-N 2 1 331.420 -0.069 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)C[C@H](O)COC)C2)CC1 ZINC001194247328 835058851 /nfs/dbraw/zinc/05/88/51/835058851.db2.gz WPHNZEUKNIGOMY-SJORKVTESA-N 2 1 337.464 -0.128 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)[C@@H](C)C(=O)NC)C2)CC1 ZINC001194246334 835058888 /nfs/dbraw/zinc/05/88/88/835058888.db2.gz LEKYBISKQNUYNE-HOCLYGCPSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001194245829 835058977 /nfs/dbraw/zinc/05/89/77/835058977.db2.gz GHVIYKKHMZMKLE-KRWDZBQOSA-N 2 1 344.459 -0.386 20 30 EBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001194245829 835058985 /nfs/dbraw/zinc/05/89/85/835058985.db2.gz GHVIYKKHMZMKLE-KRWDZBQOSA-N 2 1 344.459 -0.386 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001199943685 835882196 /nfs/dbraw/zinc/88/21/96/835882196.db2.gz OYDSCXORYOHTTM-DZGCQCFKSA-N 2 1 336.436 -0.965 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943685 835882201 /nfs/dbraw/zinc/88/22/01/835882201.db2.gz OYDSCXORYOHTTM-DZGCQCFKSA-N 2 1 336.436 -0.965 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001200721106 836023938 /nfs/dbraw/zinc/02/39/38/836023938.db2.gz GZMVYYGVALPPQM-GJZGRUSLSA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001200721106 836023946 /nfs/dbraw/zinc/02/39/46/836023946.db2.gz GZMVYYGVALPPQM-GJZGRUSLSA-N 2 1 336.436 -0.963 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203170180 836403425 /nfs/dbraw/zinc/40/34/25/836403425.db2.gz ZDNDSCLDLRHIPG-KGLIPLIRSA-N 2 1 344.419 -0.152 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203732467 836469052 /nfs/dbraw/zinc/46/90/52/836469052.db2.gz YWARPWQPJGAAGJ-CABCVRRESA-N 2 1 343.431 -0.042 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203732470 836469542 /nfs/dbraw/zinc/46/95/42/836469542.db2.gz YWARPWQPJGAAGJ-LSDHHAIUSA-N 2 1 343.431 -0.042 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001206281119 836635608 /nfs/dbraw/zinc/63/56/08/836635608.db2.gz BHXXLYOHNZIFBR-ZBFHGGJFSA-N 2 1 334.464 -0.238 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001206928916 836716054 /nfs/dbraw/zinc/71/60/54/836716054.db2.gz MZENMHIEINLSMP-GOEBONIOSA-N 2 1 334.464 -0.096 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001208073141 836940380 /nfs/dbraw/zinc/94/03/80/836940380.db2.gz DCUXTNBULXDQNU-QLFBSQMISA-N 2 1 335.452 -0.063 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001208352626 837003891 /nfs/dbraw/zinc/00/38/91/837003891.db2.gz KALHCDRZRHMWTP-CVEARBPZSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001208352626 837003901 /nfs/dbraw/zinc/00/39/01/837003901.db2.gz KALHCDRZRHMWTP-CVEARBPZSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]Cc2nnnn2C)CC1 ZINC001319588176 838155060 /nfs/dbraw/zinc/15/50/60/838155060.db2.gz CJIOALVBYXZLLD-ZDUSSCGKSA-N 2 1 333.440 -0.508 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001325916797 839974939 /nfs/dbraw/zinc/97/49/39/839974939.db2.gz AHPAHJNYTYKTEB-CABCVRRESA-N 2 1 345.447 -0.213 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001325916797 839974944 /nfs/dbraw/zinc/97/49/44/839974944.db2.gz AHPAHJNYTYKTEB-CABCVRRESA-N 2 1 345.447 -0.213 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001325916807 839975492 /nfs/dbraw/zinc/97/54/92/839975492.db2.gz AHPAHJNYTYKTEB-GJZGRUSLSA-N 2 1 345.447 -0.213 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001325916807 839975499 /nfs/dbraw/zinc/97/54/99/839975499.db2.gz AHPAHJNYTYKTEB-GJZGRUSLSA-N 2 1 345.447 -0.213 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001325916810 839975710 /nfs/dbraw/zinc/97/57/10/839975710.db2.gz AHPAHJNYTYKTEB-HUUCEWRRSA-N 2 1 345.447 -0.213 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001325916810 839975719 /nfs/dbraw/zinc/97/57/19/839975719.db2.gz AHPAHJNYTYKTEB-HUUCEWRRSA-N 2 1 345.447 -0.213 20 30 EBEDMP COCC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001326578992 840138767 /nfs/dbraw/zinc/13/87/67/840138767.db2.gz GRGPNMCAGHFMTR-INIZCTEOSA-N 2 1 335.448 -0.109 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001331755984 841484563 /nfs/dbraw/zinc/48/45/63/841484563.db2.gz FXNZXNCYKXKVTL-ZIAGYGMSSA-N 2 1 338.452 -0.935 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(NC(=O)Cc3cncn3C)CCC[C@H]12 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/nfs/dbraw/zinc/57/63/52/841576352.db2.gz DBAOYWLGYFHELD-HDMKZQKVSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001332115432 841576358 /nfs/dbraw/zinc/57/63/58/841576358.db2.gz DBAOYWLGYFHELD-HDMKZQKVSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C(C)(C)C1 ZINC001332389165 841632104 /nfs/dbraw/zinc/63/21/04/841632104.db2.gz WSSZICXNHDUQBQ-LSDHHAIUSA-N 2 1 345.447 -0.450 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C(C)(C)C1 ZINC001332389165 841632117 /nfs/dbraw/zinc/63/21/17/841632117.db2.gz WSSZICXNHDUQBQ-LSDHHAIUSA-N 2 1 345.447 -0.450 20 30 EBEDMP C#CCOCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001345927030 843463728 /nfs/dbraw/zinc/46/37/28/843463728.db2.gz OSQVNVFNUWGIOG-IYBDPMFKSA-N 2 1 348.447 -0.820 20 30 EBEDMP C#CCOCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001345927030 843463736 /nfs/dbraw/zinc/46/37/36/843463736.db2.gz 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EBEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001026145745 730125142 /nfs/dbraw/zinc/12/51/42/730125142.db2.gz CIDWOHBXMYRKTE-LJIZCISZSA-N 2 1 332.448 -0.229 20 30 EBEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001026145745 730125143 /nfs/dbraw/zinc/12/51/43/730125143.db2.gz CIDWOHBXMYRKTE-LJIZCISZSA-N 2 1 332.448 -0.229 20 30 EBEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001026145745 730125145 /nfs/dbraw/zinc/12/51/45/730125145.db2.gz CIDWOHBXMYRKTE-LJIZCISZSA-N 2 1 332.448 -0.229 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001026893909 730168509 /nfs/dbraw/zinc/16/85/09/730168509.db2.gz QIVAJMQUMCOBLU-ZBFHGGJFSA-N 2 1 330.436 -0.149 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001026893909 730168512 /nfs/dbraw/zinc/16/85/12/730168512.db2.gz QIVAJMQUMCOBLU-ZBFHGGJFSA-N 2 1 330.436 -0.149 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001033684726 731063458 /nfs/dbraw/zinc/06/34/58/731063458.db2.gz IERBZPMJLHVRAI-INIZCTEOSA-N 2 1 334.464 -0.048 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001033684726 731063462 /nfs/dbraw/zinc/06/34/62/731063462.db2.gz IERBZPMJLHVRAI-INIZCTEOSA-N 2 1 334.464 -0.048 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001034962282 731169019 /nfs/dbraw/zinc/16/90/19/731169019.db2.gz HXASNSYGIIYGNR-OAGGEKHMSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001034962282 731169020 /nfs/dbraw/zinc/16/90/20/731169020.db2.gz HXASNSYGIIYGNR-OAGGEKHMSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001046036673 733821056 /nfs/dbraw/zinc/82/10/56/733821056.db2.gz NOQPXYNVHUCFNJ-MSOLQXFVSA-N 2 1 348.491 -0.315 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046036673 733821058 /nfs/dbraw/zinc/82/10/58/733821058.db2.gz NOQPXYNVHUCFNJ-MSOLQXFVSA-N 2 1 348.491 -0.315 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH+](CCCO)C2)CC1 ZINC001046036673 733821061 /nfs/dbraw/zinc/82/10/61/733821061.db2.gz NOQPXYNVHUCFNJ-MSOLQXFVSA-N 2 1 348.491 -0.315 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH+](CCCO)C2)CC1 ZINC001046036673 733821063 /nfs/dbraw/zinc/82/10/63/733821063.db2.gz NOQPXYNVHUCFNJ-MSOLQXFVSA-N 2 1 348.491 -0.315 20 30 EBEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001047463802 734207907 /nfs/dbraw/zinc/20/79/07/734207907.db2.gz SZEQANCQIBAZAN-XJADACSNSA-N 2 1 335.448 -0.071 20 30 EBEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001047463802 734207908 /nfs/dbraw/zinc/20/79/08/734207908.db2.gz SZEQANCQIBAZAN-XJADACSNSA-N 2 1 335.448 -0.071 20 30 EBEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001047463802 734207910 /nfs/dbraw/zinc/20/79/10/734207910.db2.gz SZEQANCQIBAZAN-XJADACSNSA-N 2 1 335.448 -0.071 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2C1 ZINC001048869674 734547007 /nfs/dbraw/zinc/54/70/07/734547007.db2.gz CQUBTECLFJZUAL-BBWFWOEESA-N 2 1 342.447 -0.234 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2C1 ZINC001048869674 734547008 /nfs/dbraw/zinc/54/70/08/734547008.db2.gz CQUBTECLFJZUAL-BBWFWOEESA-N 2 1 342.447 -0.234 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2C1 ZINC001048869674 734547014 /nfs/dbraw/zinc/54/70/14/734547014.db2.gz CQUBTECLFJZUAL-BBWFWOEESA-N 2 1 342.447 -0.234 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001048869674 734547018 /nfs/dbraw/zinc/54/70/18/734547018.db2.gz CQUBTECLFJZUAL-BBWFWOEESA-N 2 1 342.447 -0.234 20 30 EBEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001070165116 740730376 /nfs/dbraw/zinc/73/03/76/740730376.db2.gz DCDCHKXZGOYMQV-QLFBSQMISA-N 2 1 334.424 -0.474 20 30 EBEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001070165116 740730378 /nfs/dbraw/zinc/73/03/78/740730378.db2.gz DCDCHKXZGOYMQV-QLFBSQMISA-N 2 1 334.424 -0.474 20 30 EBEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001070330119 740788854 /nfs/dbraw/zinc/78/88/54/740788854.db2.gz VWFFVIDSQFBYEB-QLFBSQMISA-N 2 1 334.424 -0.474 20 30 EBEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001070330119 740788855 /nfs/dbraw/zinc/78/88/55/740788855.db2.gz VWFFVIDSQFBYEB-QLFBSQMISA-N 2 1 334.424 -0.474 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001070502234 740850598 /nfs/dbraw/zinc/85/05/98/740850598.db2.gz CYZZIMFVKQZVEZ-UAGQMJEPSA-N 2 1 345.447 -0.606 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001070502234 740850600 /nfs/dbraw/zinc/85/06/00/740850600.db2.gz CYZZIMFVKQZVEZ-UAGQMJEPSA-N 2 1 345.447 -0.606 20 30 EBEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001071046948 741049029 /nfs/dbraw/zinc/04/90/29/741049029.db2.gz UEBYMUAVSXNJKG-ZACQAIPSSA-N 2 1 335.448 -0.064 20 30 EBEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001071046948 741049032 /nfs/dbraw/zinc/04/90/32/741049032.db2.gz UEBYMUAVSXNJKG-ZACQAIPSSA-N 2 1 335.448 -0.064 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NC)C3)CC1 ZINC001073457529 741617133 /nfs/dbraw/zinc/61/71/33/741617133.db2.gz UIPKQSOGQJTZOO-UHFFFAOYSA-N 2 1 332.448 -0.388 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CC(=O)NC)C3)CC1 ZINC001073457529 741617135 /nfs/dbraw/zinc/61/71/35/741617135.db2.gz UIPKQSOGQJTZOO-UHFFFAOYSA-N 2 1 332.448 -0.388 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC)C[C@H]32)CC1 ZINC001076604701 742509773 /nfs/dbraw/zinc/50/97/73/742509773.db2.gz RYSPUYSLMXASON-JKSUJKDBSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC)C[C@H]32)CC1 ZINC001076604701 742509777 /nfs/dbraw/zinc/50/97/77/742509777.db2.gz RYSPUYSLMXASON-JKSUJKDBSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC000983904009 807116952 /nfs/dbraw/zinc/11/69/52/807116952.db2.gz JQOUZZYRZGQMJA-KKUMJFAQSA-N 2 1 330.436 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC000983904009 807116957 /nfs/dbraw/zinc/11/69/57/807116957.db2.gz JQOUZZYRZGQMJA-KKUMJFAQSA-N 2 1 330.436 -0.103 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001221974055 811570864 /nfs/dbraw/zinc/57/08/64/811570864.db2.gz XSQLATGFFKLUFS-ARFHVFGLSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001221974055 811570874 /nfs/dbraw/zinc/57/08/74/811570874.db2.gz XSQLATGFFKLUFS-ARFHVFGLSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001221974055 811570883 /nfs/dbraw/zinc/57/08/83/811570883.db2.gz XSQLATGFFKLUFS-ARFHVFGLSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001221974055 811570887 /nfs/dbraw/zinc/57/08/87/811570887.db2.gz XSQLATGFFKLUFS-ARFHVFGLSA-N 2 1 334.464 -0.001 20 30 EBEDMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](CC(=O)NCC#N)CC2)CC[N@@H+]1C ZINC001223250449 811692616 /nfs/dbraw/zinc/69/26/16/811692616.db2.gz ZRZJXABJKWYLIX-UKRRQHHQSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](CC(=O)NCC#N)CC2)CC[N@H+]1C ZINC001223250449 811692618 /nfs/dbraw/zinc/69/26/18/811692618.db2.gz ZRZJXABJKWYLIX-UKRRQHHQSA-N 2 1 335.452 -0.205 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@@H](O)COC)CC1 ZINC001223494853 811709449 /nfs/dbraw/zinc/70/94/49/811709449.db2.gz CRUFKUBALZAVSW-SJORKVTESA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@@H](O)COC)CC1 ZINC001223494853 811709455 /nfs/dbraw/zinc/70/94/55/811709455.db2.gz CRUFKUBALZAVSW-SJORKVTESA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]2C)CC1 ZINC001080998104 812434567 /nfs/dbraw/zinc/43/45/67/812434567.db2.gz SLQDLYDOKCONAI-OIISXLGYSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001264080715 813147929 /nfs/dbraw/zinc/14/79/29/813147929.db2.gz UNAHMDMJWOXYNB-SJORKVTESA-N 2 1 337.464 -0.127 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001265435500 813323278 /nfs/dbraw/zinc/32/32/78/813323278.db2.gz HQPAVNDPFSQCCO-PMPSAXMXSA-N 2 1 330.432 -0.588 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001265435500 813323285 /nfs/dbraw/zinc/32/32/85/813323285.db2.gz HQPAVNDPFSQCCO-PMPSAXMXSA-N 2 1 330.432 -0.588 20 30 EBEDMP N#CCNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001266382103 813556617 /nfs/dbraw/zinc/55/66/17/813556617.db2.gz GYWBLCANQKQQHW-CQSZACIVSA-N 2 1 333.436 -0.307 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC001266902403 813697199 /nfs/dbraw/zinc/69/71/99/813697199.db2.gz VLANXUUFCPUSNI-ARKGTOAJSA-N 2 1 332.448 -0.345 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266902403 813697204 /nfs/dbraw/zinc/69/72/04/813697204.db2.gz VLANXUUFCPUSNI-ARKGTOAJSA-N 2 1 332.448 -0.345 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001266902403 813697208 /nfs/dbraw/zinc/69/72/08/813697208.db2.gz VLANXUUFCPUSNI-ARKGTOAJSA-N 2 1 332.448 -0.345 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)NCC[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267552538 813927417 /nfs/dbraw/zinc/92/74/17/813927417.db2.gz OOCKFUDOWJBDQF-AWEZNQCLSA-N 2 1 332.408 -0.341 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)NCC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267552538 813927422 /nfs/dbraw/zinc/92/74/22/813927422.db2.gz OOCKFUDOWJBDQF-AWEZNQCLSA-N 2 1 332.408 -0.341 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN1CC[NH+](C[C@H](C)O)CC1 ZINC001267607644 813951037 /nfs/dbraw/zinc/95/10/37/813951037.db2.gz PFYLDNJJDYEFEV-IRXDYDNUSA-N 2 1 336.480 -0.459 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN1CC[NH+](C[C@H](C)O)CC1 ZINC001267607644 813951042 /nfs/dbraw/zinc/95/10/42/813951042.db2.gz PFYLDNJJDYEFEV-IRXDYDNUSA-N 2 1 336.480 -0.459 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C[C@H](O)COC)C2)CC1 ZINC001267622152 813956928 /nfs/dbraw/zinc/95/69/28/813956928.db2.gz NYTZUWNZQCKSIK-SJORKVTESA-N 2 1 337.464 -0.081 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)NC1(C[NH2+]CC(=O)NCC#N)CCCC1 ZINC001267840163 814054350 /nfs/dbraw/zinc/05/43/50/814054350.db2.gz BNBRQXWXSBTRRW-UHFFFAOYSA-N 2 1 332.408 -0.150 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001268143360 814134243 /nfs/dbraw/zinc/13/42/43/814134243.db2.gz UMXVFCXTUCBKRE-HIFRSBDPSA-N 2 1 331.420 -0.232 20 30 EBEDMP CN(CC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C#N)n(C)c3)C[C@H]21)C(N)=[NH2+] ZINC001268996176 814467706 /nfs/dbraw/zinc/46/77/06/814467706.db2.gz JHGRSBLKLCNYRR-DZGCQCFKSA-N 2 1 343.435 -0.245 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](C[C@@H](O)COC)C2)CC1 ZINC001270658823 815846835 /nfs/dbraw/zinc/84/68/35/815846835.db2.gz QIAVPPRMWMWORV-AEFFLSMTSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001090635935 817601042 /nfs/dbraw/zinc/60/10/42/817601042.db2.gz AEHVUGRAVIOECC-HOTGVXAUSA-N 2 1 333.436 -0.367 20 30 EBEDMP CN(C)C(=O)C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCCC#N)CC3)[C@@H]2C1 ZINC001277943569 817660391 /nfs/dbraw/zinc/66/03/91/817660391.db2.gz YYSIUXFERFNKGP-HUUCEWRRSA-N 2 1 347.463 -0.109 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCC1CCOCC1 ZINC001278093398 817694309 /nfs/dbraw/zinc/69/43/09/817694309.db2.gz JQBNCHBOSFATRG-SJORKVTESA-N 2 1 337.464 -0.033 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCC1CCOCC1 ZINC001278093398 817694316 /nfs/dbraw/zinc/69/43/16/817694316.db2.gz JQBNCHBOSFATRG-SJORKVTESA-N 2 1 337.464 -0.033 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCC1CCOCC1 ZINC001278093397 817694980 /nfs/dbraw/zinc/69/49/80/817694980.db2.gz JQBNCHBOSFATRG-IRXDYDNUSA-N 2 1 337.464 -0.033 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCC1CCOCC1 ZINC001278093397 817694983 /nfs/dbraw/zinc/69/49/83/817694983.db2.gz JQBNCHBOSFATRG-IRXDYDNUSA-N 2 1 337.464 -0.033 20 30 EBEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001278728667 817799782 /nfs/dbraw/zinc/79/97/82/817799782.db2.gz RSEICNXXLOXJEP-AWEZNQCLSA-N 2 1 338.452 -0.505 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@@H+](C[C@H]3CCOC3)C2)CC1 ZINC001278828556 817855445 /nfs/dbraw/zinc/85/54/45/817855445.db2.gz OQENQZHLXAJNOT-VQIMIIECSA-N 2 1 349.475 -0.079 20 30 EBEDMP COCC#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001279393115 817924793 /nfs/dbraw/zinc/92/47/93/817924793.db2.gz QMMDZDUCRXRTTG-HNNXBMFYSA-N 2 1 327.425 -0.969 20 30 EBEDMP COCC#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001279393115 817924799 /nfs/dbraw/zinc/92/47/99/817924799.db2.gz QMMDZDUCRXRTTG-HNNXBMFYSA-N 2 1 327.425 -0.969 20 30 EBEDMP COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001283804550 818961345 /nfs/dbraw/zinc/96/13/45/818961345.db2.gz MNQVIAQHKJKJBV-PBHICJAKSA-N 2 1 343.443 -0.085 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](CCO)CCCO)CC1 ZINC001098396275 819169304 /nfs/dbraw/zinc/16/93/04/819169304.db2.gz ZPVYEDPFSHWSRF-KRWDZBQOSA-N 2 1 337.464 -0.248 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](CCO)CCCO)CC1 ZINC001098396275 819169308 /nfs/dbraw/zinc/16/93/08/819169308.db2.gz ZPVYEDPFSHWSRF-KRWDZBQOSA-N 2 1 337.464 -0.248 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CCO)CCCO)CC1 ZINC001098396275 819169312 /nfs/dbraw/zinc/16/93/12/819169312.db2.gz ZPVYEDPFSHWSRF-KRWDZBQOSA-N 2 1 337.464 -0.248 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CCO)CCCO)CC1 ZINC001098396275 819169314 /nfs/dbraw/zinc/16/93/14/819169314.db2.gz ZPVYEDPFSHWSRF-KRWDZBQOSA-N 2 1 337.464 -0.248 20 30 EBEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)COCC[NH+](C)C)C2)nn1 ZINC001098767389 819359649 /nfs/dbraw/zinc/35/96/49/819359649.db2.gz LRYGFGGGIDSFCJ-HNNXBMFYSA-N 2 1 336.440 -0.095 20 30 EBEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001100758968 820540566 /nfs/dbraw/zinc/54/05/66/820540566.db2.gz XKSRJZYWCVAHLQ-UHFFFAOYSA-N 2 1 338.452 -0.505 20 30 EBEDMP CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1)[NH+](C)C ZINC001101272227 820741884 /nfs/dbraw/zinc/74/18/84/820741884.db2.gz BCCVPUSPCSEKPW-HFTRVMKXSA-N 2 1 349.479 -0.007 20 30 EBEDMP CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1)[NH+](C)C ZINC001101272227 820741891 /nfs/dbraw/zinc/74/18/91/820741891.db2.gz BCCVPUSPCSEKPW-HFTRVMKXSA-N 2 1 349.479 -0.007 20 30 EBEDMP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101279053 820744121 /nfs/dbraw/zinc/74/41/21/820744121.db2.gz DUJQDBYKWAEXHE-VKJFTORMSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101279053 820744125 /nfs/dbraw/zinc/74/41/25/820744125.db2.gz DUJQDBYKWAEXHE-VKJFTORMSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101279053 820744130 /nfs/dbraw/zinc/74/41/30/820744130.db2.gz DUJQDBYKWAEXHE-VKJFTORMSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101279053 820744135 /nfs/dbraw/zinc/74/41/35/820744135.db2.gz DUJQDBYKWAEXHE-VKJFTORMSA-N 2 1 347.463 -0.109 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001101365932 820768841 /nfs/dbraw/zinc/76/88/41/820768841.db2.gz RBBWWYVOEZATFO-VKJFTORMSA-N 2 1 334.464 -0.144 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461754 820798631 /nfs/dbraw/zinc/79/86/31/820798631.db2.gz RREPOGFFVWKBRN-QAPCUYQASA-N 2 1 332.448 -0.388 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@H]1C ZINC001102056240 821015558 /nfs/dbraw/zinc/01/55/58/821015558.db2.gz XNTVPLLGQYJBQZ-VQHPVUNQSA-N 2 1 337.464 -0.225 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1C ZINC001102056240 821015568 /nfs/dbraw/zinc/01/55/68/821015568.db2.gz XNTVPLLGQYJBQZ-VQHPVUNQSA-N 2 1 337.464 -0.225 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](C[C@@H](O)COC)C[C@H]1C ZINC001102056240 821015577 /nfs/dbraw/zinc/01/55/77/821015577.db2.gz XNTVPLLGQYJBQZ-VQHPVUNQSA-N 2 1 337.464 -0.225 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](C[C@@H](O)COC)C[C@H]1C ZINC001102056240 821015586 /nfs/dbraw/zinc/01/55/86/821015586.db2.gz XNTVPLLGQYJBQZ-VQHPVUNQSA-N 2 1 337.464 -0.225 20 30 EBEDMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CC(=O)NCC#N ZINC001316738296 821838793 /nfs/dbraw/zinc/83/87/93/821838793.db2.gz BWLFLSWUTLBJHQ-UONOGXRCSA-N 2 1 333.436 -0.309 20 30 EBEDMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CC(=O)NCC#N ZINC001316738296 821838800 /nfs/dbraw/zinc/83/88/00/821838800.db2.gz BWLFLSWUTLBJHQ-UONOGXRCSA-N 2 1 333.436 -0.309 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001317083127 821997605 /nfs/dbraw/zinc/99/76/05/821997605.db2.gz XDZMXXMYUQOTIE-JYJNAYRXSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001317083127 821997615 /nfs/dbraw/zinc/99/76/15/821997615.db2.gz XDZMXXMYUQOTIE-JYJNAYRXSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001317323166 822083212 /nfs/dbraw/zinc/08/32/12/822083212.db2.gz SYFDAOUTXGZUER-OWCLPIDISA-N 2 1 334.464 -0.096 20 30 EBEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)NCC#N)C2 ZINC001317407093 822101989 /nfs/dbraw/zinc/10/19/89/822101989.db2.gz VTSJEORQYUNPAS-OCCSQVGLSA-N 2 1 346.435 -0.122 20 30 EBEDMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)NCC#N)C2 ZINC001317407094 822102255 /nfs/dbraw/zinc/10/22/55/822102255.db2.gz VTSJEORQYUNPAS-TZMCWYRMSA-N 2 1 346.435 -0.122 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001106432591 822268010 /nfs/dbraw/zinc/26/80/10/822268010.db2.gz ZOOJOOVAYBTUHF-UKRRQHHQSA-N 2 1 331.420 -0.375 20 30 EBEDMP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107530905 823876137 /nfs/dbraw/zinc/87/61/37/823876137.db2.gz RWFXUIUWJQNMFP-RHSMWYFYSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NCC#N)CC3)C1 ZINC001107631796 823893780 /nfs/dbraw/zinc/89/37/80/823893780.db2.gz FUIJLRASVFVZEW-IIDMSEBBSA-N 2 1 347.463 -0.061 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)C1 ZINC001107631796 823893790 /nfs/dbraw/zinc/89/37/90/823893790.db2.gz FUIJLRASVFVZEW-IIDMSEBBSA-N 2 1 347.463 -0.061 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NCC#N)CC3)C1 ZINC001107631796 823893799 /nfs/dbraw/zinc/89/37/99/823893799.db2.gz FUIJLRASVFVZEW-IIDMSEBBSA-N 2 1 347.463 -0.061 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@]2(C)C[N@H+](CCCO)CCO2)CC1 ZINC001108419551 824276098 /nfs/dbraw/zinc/27/60/98/824276098.db2.gz NYTDFYRDNUKHDW-GOSISDBHSA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@]2(C)C[N@@H+](CCCO)CCO2)CC1 ZINC001108419551 824276101 /nfs/dbraw/zinc/27/61/01/824276101.db2.gz NYTDFYRDNUKHDW-GOSISDBHSA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001129770616 828666464 /nfs/dbraw/zinc/66/64/64/828666464.db2.gz JUQUQBVMISMKGA-AWEZNQCLSA-N 2 1 344.481 -0.929 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001129770616 828666466 /nfs/dbraw/zinc/66/64/66/828666466.db2.gz JUQUQBVMISMKGA-AWEZNQCLSA-N 2 1 344.481 -0.929 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001129770890 828667003 /nfs/dbraw/zinc/66/70/03/828667003.db2.gz MUUGCKIURGVLMG-AWEZNQCLSA-N 2 1 341.477 -0.385 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001129770890 828667012 /nfs/dbraw/zinc/66/70/12/828667012.db2.gz MUUGCKIURGVLMG-AWEZNQCLSA-N 2 1 341.477 -0.385 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001129771337 828667180 /nfs/dbraw/zinc/66/71/80/828667180.db2.gz WAWGWRSEJWKLSA-KGLIPLIRSA-N 2 1 327.450 -0.776 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001129771337 828667185 /nfs/dbraw/zinc/66/71/85/828667185.db2.gz WAWGWRSEJWKLSA-KGLIPLIRSA-N 2 1 327.450 -0.776 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001129771049 828667496 /nfs/dbraw/zinc/66/74/96/828667496.db2.gz OWNGYBFJZFVUCR-CABCVRRESA-N 2 1 341.477 -0.385 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001129771049 828667503 /nfs/dbraw/zinc/66/75/03/828667503.db2.gz OWNGYBFJZFVUCR-CABCVRRESA-N 2 1 341.477 -0.385 20 30 EBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001130123389 828736421 /nfs/dbraw/zinc/73/64/21/828736421.db2.gz PLHBIKKQAVYTAZ-CABCVRRESA-N 2 1 327.392 -0.152 20 30 EBEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001130132772 828737991 /nfs/dbraw/zinc/73/79/91/828737991.db2.gz ONACQNDDVNSZFH-OWCLPIDISA-N 2 1 346.435 -0.636 20 30 EBEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001130132772 828737997 /nfs/dbraw/zinc/73/79/97/828737997.db2.gz ONACQNDDVNSZFH-OWCLPIDISA-N 2 1 346.435 -0.636 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111937987 825349713 /nfs/dbraw/zinc/34/97/13/825349713.db2.gz GHTVKVNFFGYGFQ-KSSFIOAISA-N 2 1 345.447 -0.307 20 30 EBEDMP N#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111937987 825349720 /nfs/dbraw/zinc/34/97/20/825349720.db2.gz GHTVKVNFFGYGFQ-KSSFIOAISA-N 2 1 345.447 -0.307 20 30 EBEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001112578495 825458314 /nfs/dbraw/zinc/45/83/14/825458314.db2.gz RGYMPDUVLOQIRT-VKJFTORMSA-N 2 1 347.463 -0.204 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114417207 826240525 /nfs/dbraw/zinc/24/05/25/826240525.db2.gz VMUFQNBJAHAELD-UTXMOHQDSA-N 2 1 332.448 -0.345 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C1CCC1 ZINC001114417207 826240528 /nfs/dbraw/zinc/24/05/28/826240528.db2.gz VMUFQNBJAHAELD-UTXMOHQDSA-N 2 1 332.448 -0.345 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C1CCC1 ZINC001114417207 826240534 /nfs/dbraw/zinc/24/05/34/826240534.db2.gz VMUFQNBJAHAELD-UTXMOHQDSA-N 2 1 332.448 -0.345 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001114926984 826373367 /nfs/dbraw/zinc/37/33/67/826373367.db2.gz FXZFFMAQZPYGGI-KMANFZQXSA-N 2 1 346.475 -0.097 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001121772884 827447119 /nfs/dbraw/zinc/44/71/19/827447119.db2.gz JTRJFSBMYWXSMU-QHQILCNVSA-N 2 1 346.475 -0.050 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001183361544 833288076 /nfs/dbraw/zinc/28/80/76/833288076.db2.gz ZPQYOEYVCTVJNL-MCIONIFRSA-N 2 1 349.435 -0.881 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001183361544 833288078 /nfs/dbraw/zinc/28/80/78/833288078.db2.gz ZPQYOEYVCTVJNL-MCIONIFRSA-N 2 1 349.435 -0.881 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NCC#N)C1 ZINC001183398786 833289158 /nfs/dbraw/zinc/28/91/58/833289158.db2.gz HODGVIWFTHAQAN-CXAGYDPISA-N 2 1 346.435 -0.095 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186410196 833400668 /nfs/dbraw/zinc/40/06/68/833400668.db2.gz PQUUTGOWYIJLRZ-IRXDYDNUSA-N 2 1 349.475 -0.079 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186410196 833400669 /nfs/dbraw/zinc/40/06/69/833400669.db2.gz PQUUTGOWYIJLRZ-IRXDYDNUSA-N 2 1 349.475 -0.079 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001133001329 829571447 /nfs/dbraw/zinc/57/14/47/829571447.db2.gz XWQVCJXYNWEFBX-TZMCWYRMSA-N 2 1 331.420 -0.402 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001133001326 829571954 /nfs/dbraw/zinc/57/19/54/829571954.db2.gz XWQVCJXYNWEFBX-GXTWGEPZSA-N 2 1 331.420 -0.402 20 30 EBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001133886174 829692990 /nfs/dbraw/zinc/69/29/90/829692990.db2.gz IRLSQTKMRRIRQP-UHFFFAOYSA-N 2 1 335.408 -0.108 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001211176677 837404093 /nfs/dbraw/zinc/40/40/93/837404093.db2.gz NAXZIIRAAHMZPN-CABCVRRESA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001211176677 837404098 /nfs/dbraw/zinc/40/40/98/837404098.db2.gz NAXZIIRAAHMZPN-CABCVRRESA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001147225700 830303297 /nfs/dbraw/zinc/30/32/97/830303297.db2.gz SWMBDGIXFLPSPH-HUUCEWRRSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001147225700 830303300 /nfs/dbraw/zinc/30/33/00/830303300.db2.gz SWMBDGIXFLPSPH-HUUCEWRRSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001147225700 830303305 /nfs/dbraw/zinc/30/33/05/830303305.db2.gz SWMBDGIXFLPSPH-HUUCEWRRSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582954 830367452 /nfs/dbraw/zinc/36/74/52/830367452.db2.gz KAEWISUPXWTGSD-OWCLPIDISA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001147582954 830367458 /nfs/dbraw/zinc/36/74/58/830367458.db2.gz KAEWISUPXWTGSD-OWCLPIDISA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001147582954 830367464 /nfs/dbraw/zinc/36/74/64/830367464.db2.gz KAEWISUPXWTGSD-OWCLPIDISA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150241230 830845854 /nfs/dbraw/zinc/84/58/54/830845854.db2.gz NJJQTIKTDKRPJR-HUUCEWRRSA-N 2 1 338.452 -0.717 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150241230 830845860 /nfs/dbraw/zinc/84/58/60/830845860.db2.gz NJJQTIKTDKRPJR-HUUCEWRRSA-N 2 1 338.452 -0.717 20 30 EBEDMP CC[N@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001153388272 831232795 /nfs/dbraw/zinc/23/27/95/831232795.db2.gz ZBVIGZXFJQUCMZ-HIFRSBDPSA-N 2 1 335.452 -0.205 20 30 EBEDMP CC[N@@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001153388272 831232807 /nfs/dbraw/zinc/23/28/07/831232807.db2.gz ZBVIGZXFJQUCMZ-HIFRSBDPSA-N 2 1 335.452 -0.205 20 30 EBEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156146287 831459506 /nfs/dbraw/zinc/45/95/06/831459506.db2.gz VFWBSKTYBXMNOQ-OAHLLOKOSA-N 2 1 340.468 -0.163 20 30 EBEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156146287 831459508 /nfs/dbraw/zinc/45/95/08/831459508.db2.gz VFWBSKTYBXMNOQ-OAHLLOKOSA-N 2 1 340.468 -0.163 20 30 EBEDMP C[N@@H+](CC(=O)NCC#N)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158865569 831692792 /nfs/dbraw/zinc/69/27/92/831692792.db2.gz FGDAIVWLNXVGHJ-LSDHHAIUSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[N@H+](CC(=O)NCC#N)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158865569 831692793 /nfs/dbraw/zinc/69/27/93/831692793.db2.gz FGDAIVWLNXVGHJ-LSDHHAIUSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[NH+](CC(=O)NCC#N)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001158865569 831692795 /nfs/dbraw/zinc/69/27/95/831692795.db2.gz FGDAIVWLNXVGHJ-LSDHHAIUSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[NH+](CC(=O)NCC#N)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001158865569 831692796 /nfs/dbraw/zinc/69/27/96/831692796.db2.gz FGDAIVWLNXVGHJ-LSDHHAIUSA-N 2 1 335.452 -0.109 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001159917582 831797248 /nfs/dbraw/zinc/79/72/48/831797248.db2.gz ZZOCSMBQUABHNY-KGLIPLIRSA-N 2 1 331.420 -0.006 20 30 EBEDMP C[N@@H+](CC(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1)C1CCC1 ZINC001165509161 832224689 /nfs/dbraw/zinc/22/46/89/832224689.db2.gz MJBAONFYCTXFFE-UHFFFAOYSA-N 2 1 335.452 -0.013 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001167237214 832319718 /nfs/dbraw/zinc/31/97/18/832319718.db2.gz XHQGIEFWDPUYCT-GJZGRUSLSA-N 2 1 334.464 -0.190 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CC[N@H+](C)CC ZINC001170211442 832492051 /nfs/dbraw/zinc/49/20/51/832492051.db2.gz LARJNPDFRPMLAM-UHFFFAOYSA-N 2 1 327.429 -0.564 20 30 EBEDMP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001179409689 832975410 /nfs/dbraw/zinc/97/54/10/832975410.db2.gz QTLSZEWBFCSRMD-AJNGGQMLSA-N 2 1 335.452 -0.065 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187945406 833987366 /nfs/dbraw/zinc/98/73/66/833987366.db2.gz XYNHOJQWNGLUMK-GVDBMIGSSA-N 2 1 344.459 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187945406 833987377 /nfs/dbraw/zinc/98/73/77/833987377.db2.gz XYNHOJQWNGLUMK-GVDBMIGSSA-N 2 1 344.459 -0.390 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190177501 834239237 /nfs/dbraw/zinc/23/92/37/834239237.db2.gz NPWXNWAMMWZYGB-OWCLPIDISA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190177501 834239243 /nfs/dbraw/zinc/23/92/43/834239243.db2.gz NPWXNWAMMWZYGB-OWCLPIDISA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190370333 834262402 /nfs/dbraw/zinc/26/24/02/834262402.db2.gz BLNWVPBABHHZOM-HRCADAONSA-N 2 1 334.464 -0.003 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190370333 834262412 /nfs/dbraw/zinc/26/24/12/834262412.db2.gz BLNWVPBABHHZOM-HRCADAONSA-N 2 1 334.464 -0.003 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190370333 834262420 /nfs/dbraw/zinc/26/24/20/834262420.db2.gz BLNWVPBABHHZOM-HRCADAONSA-N 2 1 334.464 -0.003 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190370333 834262429 /nfs/dbraw/zinc/26/24/29/834262429.db2.gz BLNWVPBABHHZOM-HRCADAONSA-N 2 1 334.464 -0.003 20 30 EBEDMP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001190445733 834269465 /nfs/dbraw/zinc/26/94/65/834269465.db2.gz ZXKPDASZLJMGCQ-KGLIPLIRSA-N 2 1 341.431 -0.161 20 30 EBEDMP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001190445733 834269466 /nfs/dbraw/zinc/26/94/66/834269466.db2.gz ZXKPDASZLJMGCQ-KGLIPLIRSA-N 2 1 341.431 -0.161 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CCOCCO)CC2)CC1 ZINC001198236515 835656837 /nfs/dbraw/zinc/65/68/37/835656837.db2.gz NBPPCEQFNKQWSQ-UHFFFAOYSA-N 2 1 337.464 -0.125 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001200976390 836076364 /nfs/dbraw/zinc/07/63/64/836076364.db2.gz RYKFFDRZJPBFGS-AWEZNQCLSA-N 2 1 348.407 -0.962 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202059895 836244512 /nfs/dbraw/zinc/24/45/12/836244512.db2.gz SKXXCVJWVYAZNQ-GJZGRUSLSA-N 2 1 338.452 -0.553 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCCO1 ZINC001202067985 836246707 /nfs/dbraw/zinc/24/67/07/836246707.db2.gz HOKPJUMZCURMOO-HNNXBMFYSA-N 2 1 347.419 -0.852 20 30 EBEDMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203794204 836478123 /nfs/dbraw/zinc/47/81/23/836478123.db2.gz VNJHVOSZUUHQAC-KBPBESRZSA-N 2 1 335.452 -0.017 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCOCCO)CC1 ZINC001205479131 836569228 /nfs/dbraw/zinc/56/92/28/836569228.db2.gz AXYLOFACPPEZBL-KRWDZBQOSA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCOCCO)CC1 ZINC001205479131 836569235 /nfs/dbraw/zinc/56/92/35/836569235.db2.gz AXYLOFACPPEZBL-KRWDZBQOSA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC=C)C1 ZINC001208352826 837005391 /nfs/dbraw/zinc/00/53/91/837005391.db2.gz 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20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224128999 811746073 /nfs/dbraw/zinc/74/60/73/811746073.db2.gz CEDYXEAMDKKULX-CVEARBPZSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224128999 811746081 /nfs/dbraw/zinc/74/60/81/811746081.db2.gz CEDYXEAMDKKULX-CVEARBPZSA-N 2 1 332.448 -0.246 20 30 EBEDMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001224546644 811764851 /nfs/dbraw/zinc/76/48/51/811764851.db2.gz PEZCXUCQNKNRDH-ZFWWWQNUSA-N 2 1 335.452 -0.348 20 30 EBEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001224546644 811764856 /nfs/dbraw/zinc/76/48/56/811764856.db2.gz PEZCXUCQNKNRDH-ZFWWWQNUSA-N 2 1 335.452 -0.348 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001225426531 811808630 /nfs/dbraw/zinc/80/86/30/811808630.db2.gz BJIQLURQRJLQDY-HOCLYGCPSA-N 2 1 334.464 -0.096 20 30 EBEDMP 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C#CCOC[C@@H](O)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001251844806 812637087 /nfs/dbraw/zinc/63/70/87/812637087.db2.gz WEKMLAGFMTUTLJ-QZWWFDLISA-N 2 1 333.436 -0.317 20 30 EBEDMP C#CCOC[C@@H](O)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001251844806 812637091 /nfs/dbraw/zinc/63/70/91/812637091.db2.gz WEKMLAGFMTUTLJ-QZWWFDLISA-N 2 1 333.436 -0.317 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001263878073 813132664 /nfs/dbraw/zinc/13/26/64/813132664.db2.gz KRPJUOAGYLTCGJ-KLHDSHLOSA-N 2 1 334.464 -0.050 20 30 EBEDMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NCC#N)CC[C@@H]3C2)CC1 ZINC001264096861 813149137 /nfs/dbraw/zinc/14/91/37/813149137.db2.gz USUTVPSAYZSDGZ-CVEARBPZSA-N 2 1 347.463 -0.252 20 30 EBEDMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CC(=O)NCC#N)CC[C@@H]3C2)CC1 ZINC001264096861 813149142 /nfs/dbraw/zinc/14/91/42/813149142.db2.gz USUTVPSAYZSDGZ-CVEARBPZSA-N 2 1 347.463 -0.252 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001265718302 813363942 /nfs/dbraw/zinc/36/39/42/813363942.db2.gz JGDKUJXTFQPNIC-RBZJEDDUSA-N 2 1 334.464 -0.243 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001266626501 813626774 /nfs/dbraw/zinc/62/67/74/813626774.db2.gz MHFKFAIMKQTWBP-VGWMRTNUSA-N 2 1 332.448 -0.011 20 30 EBEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001267557282 813929585 /nfs/dbraw/zinc/92/95/85/813929585.db2.gz BJZCXAMNYRBIDK-HUUCEWRRSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267557282 813929593 /nfs/dbraw/zinc/92/95/93/813929593.db2.gz BJZCXAMNYRBIDK-HUUCEWRRSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267557282 813929601 /nfs/dbraw/zinc/92/96/01/813929601.db2.gz BJZCXAMNYRBIDK-HUUCEWRRSA-N 2 1 335.452 -0.061 20 30 EBEDMP 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ZINC001268372967 814225208 /nfs/dbraw/zinc/22/52/08/814225208.db2.gz JDIYDBIIHZTXOO-GJZGRUSLSA-N 2 1 335.452 -0.406 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CCOC)C[C@@H]32)CC1 ZINC001083283793 814261859 /nfs/dbraw/zinc/26/18/59/814261859.db2.gz UIBHPFPZFNSDAQ-DLBZAZTESA-N 2 1 335.448 -0.110 20 30 EBEDMP N#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001268555434 814291088 /nfs/dbraw/zinc/29/10/88/814291088.db2.gz ITCIABUXLOFWOX-VIOGHGGCSA-N 2 1 333.436 -0.095 20 30 EBEDMP C=CCNC(=O)[C@H](C)N1CC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001268911218 814438630 /nfs/dbraw/zinc/43/86/30/814438630.db2.gz JUKSRIVVUOZYQG-DZGCQCFKSA-N 2 1 338.452 -0.554 20 30 EBEDMP C=CCNC(=O)[C@H](C)N1CC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001268911218 814438635 /nfs/dbraw/zinc/43/86/35/814438635.db2.gz JUKSRIVVUOZYQG-DZGCQCFKSA-N 2 1 338.452 -0.554 20 30 EBEDMP CN(CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)n(C)c1)C(N)=[NH2+] ZINC001268997291 814468238 /nfs/dbraw/zinc/46/82/38/814468238.db2.gz YSCUDIUJZNEIHS-OKILXGFUSA-N 2 1 343.435 -0.103 20 30 EBEDMP CN(CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)n(C)c1)C(N)=[NH2+] ZINC001268997291 814468244 /nfs/dbraw/zinc/46/82/44/814468244.db2.gz YSCUDIUJZNEIHS-OKILXGFUSA-N 2 1 343.435 -0.103 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001084088014 815825651 /nfs/dbraw/zinc/82/56/51/815825651.db2.gz LXIYTNOWTDXTAI-OIISXLGYSA-N 2 1 335.448 -0.471 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001271629092 816169460 /nfs/dbraw/zinc/16/94/60/816169460.db2.gz LZLKDBNQQNUUMD-LSDHHAIUSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001086110177 816233995 /nfs/dbraw/zinc/23/39/95/816233995.db2.gz XAORQOZTPHFLCC-FZKCQIBNSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001086110177 816234001 /nfs/dbraw/zinc/23/40/01/816234001.db2.gz XAORQOZTPHFLCC-FZKCQIBNSA-N 2 1 332.448 -0.153 20 30 EBEDMP Cc1nc[nH]c1CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001271892338 816244965 /nfs/dbraw/zinc/24/49/65/816244965.db2.gz RZJVPHFBPONTRS-BETUJISGSA-N 2 1 330.392 -0.709 20 30 EBEDMP Cc1nc[nH]c1CC(=O)N1C[C@H]2CN(CC(=O)NCC#N)C[C@H]2C1 ZINC001271892338 816244970 /nfs/dbraw/zinc/24/49/70/816244970.db2.gz RZJVPHFBPONTRS-BETUJISGSA-N 2 1 330.392 -0.709 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(CCO)CC[NH2+]Cc2ccn(C)n2)CC1 ZINC001272315498 816396421 /nfs/dbraw/zinc/39/64/21/816396421.db2.gz OLANHPMXEUQBGT-UHFFFAOYSA-N 2 1 347.463 -0.324 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001273017806 816567713 /nfs/dbraw/zinc/56/77/13/816567713.db2.gz SIDRNVFGNODQIJ-OAHLLOKOSA-N 2 1 331.420 -0.088 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)N2CCC2)CCC1 ZINC001273100040 816585877 /nfs/dbraw/zinc/58/58/77/816585877.db2.gz KQYQXQMBVIWLDF-HNNXBMFYSA-N 2 1 332.448 -0.055 20 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ZINC001278004380 817673322 /nfs/dbraw/zinc/67/33/22/817673322.db2.gz AXNWAWYCAZZYRG-HUUCEWRRSA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001278004380 817673323 /nfs/dbraw/zinc/67/33/23/817673323.db2.gz AXNWAWYCAZZYRG-HUUCEWRRSA-N 2 1 336.436 -0.963 20 30 EBEDMP COCC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001278350523 817746517 /nfs/dbraw/zinc/74/65/17/817746517.db2.gz XZZOPLPYGUDSOG-ZWKOTPCHSA-N 2 1 348.491 -0.051 20 30 EBEDMP COCC#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001278350523 817746522 /nfs/dbraw/zinc/74/65/22/817746522.db2.gz XZZOPLPYGUDSOG-ZWKOTPCHSA-N 2 1 348.491 -0.051 20 30 EBEDMP COCC#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001278350523 817746525 /nfs/dbraw/zinc/74/65/25/817746525.db2.gz XZZOPLPYGUDSOG-ZWKOTPCHSA-N 2 1 348.491 -0.051 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001278685934 817794194 /nfs/dbraw/zinc/79/41/94/817794194.db2.gz FVHVDFIQHRBBOJ-MAUKXSAKSA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001278685934 817794196 /nfs/dbraw/zinc/79/41/96/817794196.db2.gz FVHVDFIQHRBBOJ-MAUKXSAKSA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001278685934 817794200 /nfs/dbraw/zinc/79/42/00/817794200.db2.gz FVHVDFIQHRBBOJ-MAUKXSAKSA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001278685934 817794204 /nfs/dbraw/zinc/79/42/04/817794204.db2.gz FVHVDFIQHRBBOJ-MAUKXSAKSA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC001279372615 817921466 /nfs/dbraw/zinc/92/14/66/817921466.db2.gz YYAMWXVSQZKYGO-OWCLPIDISA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001279372615 817921473 /nfs/dbraw/zinc/92/14/73/817921473.db2.gz YYAMWXVSQZKYGO-OWCLPIDISA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001279372615 817921479 /nfs/dbraw/zinc/92/14/79/817921479.db2.gz YYAMWXVSQZKYGO-OWCLPIDISA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001279668551 817967146 /nfs/dbraw/zinc/96/71/46/817967146.db2.gz BNFGPFNIZHPUMG-UHFFFAOYSA-N 2 1 330.432 -0.420 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001279668551 817967152 /nfs/dbraw/zinc/96/71/52/817967152.db2.gz BNFGPFNIZHPUMG-UHFFFAOYSA-N 2 1 330.432 -0.420 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@H]1CCC(=O)NC1=O ZINC001281721645 818271063 /nfs/dbraw/zinc/27/10/63/818271063.db2.gz DQKDKRVBOZNEPR-IHRRRGAJSA-N 2 1 334.420 -0.626 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@H]1CCC(=O)NC1=O ZINC001281721645 818271068 /nfs/dbraw/zinc/27/10/68/818271068.db2.gz DQKDKRVBOZNEPR-IHRRRGAJSA-N 2 1 334.420 -0.626 20 30 EBEDMP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001282870633 818510736 /nfs/dbraw/zinc/51/07/36/818510736.db2.gz GJIPVWPGWFBUGB-XQLPTFJDSA-N 2 1 333.436 -0.596 20 30 EBEDMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001282870633 818510745 /nfs/dbraw/zinc/51/07/45/818510745.db2.gz GJIPVWPGWFBUGB-XQLPTFJDSA-N 2 1 333.436 -0.596 20 30 EBEDMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001282870633 818510754 /nfs/dbraw/zinc/51/07/54/818510754.db2.gz GJIPVWPGWFBUGB-XQLPTFJDSA-N 2 1 333.436 -0.596 20 30 EBEDMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001282870633 818510762 /nfs/dbraw/zinc/51/07/62/818510762.db2.gz GJIPVWPGWFBUGB-XQLPTFJDSA-N 2 1 333.436 -0.596 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001282956330 818547497 /nfs/dbraw/zinc/54/74/97/818547497.db2.gz FTEDLNKSIAKHKU-HNNXBMFYSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001282956330 818547502 /nfs/dbraw/zinc/54/75/02/818547502.db2.gz FTEDLNKSIAKHKU-HNNXBMFYSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001282956330 818547506 /nfs/dbraw/zinc/54/75/06/818547506.db2.gz FTEDLNKSIAKHKU-HNNXBMFYSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001282956330 818547511 /nfs/dbraw/zinc/54/75/11/818547511.db2.gz FTEDLNKSIAKHKU-HNNXBMFYSA-N 2 1 332.448 -0.246 20 30 EBEDMP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]2C1 ZINC001282960053 818550375 /nfs/dbraw/zinc/55/03/75/818550375.db2.gz XNDHYIHULZHRTD-RBSFLKMASA-N 2 1 335.452 -0.205 20 30 EBEDMP C[N@@H+](CC(=O)NCC#N)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001283341317 818764698 /nfs/dbraw/zinc/76/46/98/818764698.db2.gz YDCFDRXOZQLQFF-UHFFFAOYSA-N 2 1 333.436 -0.355 20 30 EBEDMP COCC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001098560865 819245053 /nfs/dbraw/zinc/24/50/53/819245053.db2.gz FLYWAKKTOTXJSC-MRXNPFEDSA-N 2 1 337.464 -0.127 20 30 EBEDMP COCC#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001098560865 819245060 /nfs/dbraw/zinc/24/50/60/819245060.db2.gz FLYWAKKTOTXJSC-MRXNPFEDSA-N 2 1 337.464 -0.127 20 30 EBEDMP COCC#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001098560865 819245068 /nfs/dbraw/zinc/24/50/68/819245068.db2.gz FLYWAKKTOTXJSC-MRXNPFEDSA-N 2 1 337.464 -0.127 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099529730 819477562 /nfs/dbraw/zinc/47/75/62/819477562.db2.gz VJFUWXBACZAAPP-YVSFHVDLSA-N 2 1 346.475 -0.144 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)C)C1 ZINC001099529729 819477575 /nfs/dbraw/zinc/47/75/75/819477575.db2.gz VJFUWXBACZAAPP-QAETUUGQSA-N 2 1 346.475 -0.144 20 30 EBEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001099892625 819845590 /nfs/dbraw/zinc/84/55/90/819845590.db2.gz MNNIHPMTDCCLDJ-HOTGVXAUSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001100344940 820368984 /nfs/dbraw/zinc/36/89/84/820368984.db2.gz JVFMCXGUOCXZFP-SSHXOBKSSA-N 2 1 334.464 -0.050 20 30 EBEDMP C[NH+](C)[C@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1)C1CC1 ZINC001101267773 820742014 /nfs/dbraw/zinc/74/20/14/820742014.db2.gz RRECKWNYNDKWBI-HFTRVMKXSA-N 2 1 347.463 -0.253 20 30 EBEDMP C[NH+](C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1)C1CC1 ZINC001101267773 820742023 /nfs/dbraw/zinc/74/20/23/820742023.db2.gz RRECKWNYNDKWBI-HFTRVMKXSA-N 2 1 347.463 -0.253 20 30 EBEDMP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101459707 820796897 /nfs/dbraw/zinc/79/68/97/820796897.db2.gz QOTAICJNQOKGKA-VBQJREDUSA-N 2 1 333.436 -0.642 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101459707 820796902 /nfs/dbraw/zinc/79/69/02/820796902.db2.gz QOTAICJNQOKGKA-VBQJREDUSA-N 2 1 333.436 -0.642 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101459707 820796910 /nfs/dbraw/zinc/79/69/10/820796910.db2.gz QOTAICJNQOKGKA-VBQJREDUSA-N 2 1 333.436 -0.642 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101459707 820796916 /nfs/dbraw/zinc/79/69/16/820796916.db2.gz QOTAICJNQOKGKA-VBQJREDUSA-N 2 1 333.436 -0.642 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101477270 820804808 /nfs/dbraw/zinc/80/48/08/820804808.db2.gz LSSIJVIQWKXBHI-QAPCUYQASA-N 2 1 334.464 -0.144 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101477270 820804815 /nfs/dbraw/zinc/80/48/15/820804815.db2.gz LSSIJVIQWKXBHI-QAPCUYQASA-N 2 1 334.464 -0.144 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101477270 820804825 /nfs/dbraw/zinc/80/48/25/820804825.db2.gz LSSIJVIQWKXBHI-QAPCUYQASA-N 2 1 334.464 -0.144 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)CC1 ZINC001103751775 821349833 /nfs/dbraw/zinc/34/98/33/821349833.db2.gz QRYCPYOUMDGUTC-GDBMZVCRSA-N 2 1 334.464 -0.109 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCC)[C@H]1CCC(=O)NC1=O ZINC001317540053 822151941 /nfs/dbraw/zinc/15/19/41/822151941.db2.gz BTXDSVIPEOQNPJ-GJZGRUSLSA-N 2 1 348.447 -0.283 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCC)[C@H]1CCC(=O)NC1=O ZINC001317540053 822151948 /nfs/dbraw/zinc/15/19/48/822151948.db2.gz BTXDSVIPEOQNPJ-GJZGRUSLSA-N 2 1 348.447 -0.283 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)[C@H]1CCC(=O)NC1=O ZINC001317540053 822151950 /nfs/dbraw/zinc/15/19/50/822151950.db2.gz BTXDSVIPEOQNPJ-GJZGRUSLSA-N 2 1 348.447 -0.283 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)[C@H]1CCC(=O)NC1=O ZINC001317540053 822151954 /nfs/dbraw/zinc/15/19/54/822151954.db2.gz BTXDSVIPEOQNPJ-GJZGRUSLSA-N 2 1 348.447 -0.283 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COC)[C@H](C)C1 ZINC001106266547 822239254 /nfs/dbraw/zinc/23/92/54/822239254.db2.gz PTYIDOYSGXLLSX-VQHPVUNQSA-N 2 1 337.464 -0.225 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COC)[C@H](C)C1 ZINC001106266547 822239263 /nfs/dbraw/zinc/23/92/63/822239263.db2.gz PTYIDOYSGXLLSX-VQHPVUNQSA-N 2 1 337.464 -0.225 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106874439 822345395 /nfs/dbraw/zinc/34/53/95/822345395.db2.gz IGMBFHNQTCMCBS-OWCLPIDISA-N 2 1 334.464 -0.238 20 30 EBEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685316 828656176 /nfs/dbraw/zinc/65/61/76/828656176.db2.gz QKQIXAWKYPERHO-OAGGEKHMSA-N 2 1 348.451 -0.084 20 30 EBEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717427 828658742 /nfs/dbraw/zinc/65/87/42/828658742.db2.gz KSNOFWPWJFNFEF-OWCLPIDISA-N 2 1 348.451 -0.084 20 30 EBEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717427 828658743 /nfs/dbraw/zinc/65/87/43/828658743.db2.gz KSNOFWPWJFNFEF-OWCLPIDISA-N 2 1 348.451 -0.084 20 30 EBEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717429 828659031 /nfs/dbraw/zinc/65/90/31/828659031.db2.gz KSNOFWPWJFNFEF-PMPSAXMXSA-N 2 1 348.451 -0.084 20 30 EBEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717429 828659034 /nfs/dbraw/zinc/65/90/34/828659034.db2.gz KSNOFWPWJFNFEF-PMPSAXMXSA-N 2 1 348.451 -0.084 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001129790748 828670037 /nfs/dbraw/zinc/67/00/37/828670037.db2.gz HLCSIXYPTUSXBE-JSGCOSHPSA-N 2 1 349.435 -0.834 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001129790748 828670038 /nfs/dbraw/zinc/67/00/38/828670038.db2.gz HLCSIXYPTUSXBE-JSGCOSHPSA-N 2 1 349.435 -0.834 20 30 EBEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130005645 828712799 /nfs/dbraw/zinc/71/27/99/828712799.db2.gz BAEAJSVYSKWHBM-OAGGEKHMSA-N 2 1 330.436 -0.015 20 30 EBEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[NH+](CC)CC)[nH]1 ZINC001130244684 828764780 /nfs/dbraw/zinc/76/47/80/828764780.db2.gz NLANRRFHODWKFL-KBPBESRZSA-N 2 1 348.451 -0.142 20 30 EBEDMP C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NCC#N)C3)CC1 ZINC001111859962 825329885 /nfs/dbraw/zinc/32/98/85/825329885.db2.gz JDLKGRCREWZKKN-YJBOKZPZSA-N 2 1 347.463 -0.061 20 30 EBEDMP C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NCC#N)C3)CC1 ZINC001111859962 825329898 /nfs/dbraw/zinc/32/98/98/825329898.db2.gz JDLKGRCREWZKKN-YJBOKZPZSA-N 2 1 347.463 -0.061 20 30 EBEDMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001114402992 826235744 /nfs/dbraw/zinc/23/57/44/826235744.db2.gz LPPXATYDFGQDDW-BSXFFOKHSA-N 2 1 347.463 -0.065 20 30 EBEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001114402992 826235745 /nfs/dbraw/zinc/23/57/45/826235745.db2.gz LPPXATYDFGQDDW-BSXFFOKHSA-N 2 1 347.463 -0.065 20 30 EBEDMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114402992 826235747 /nfs/dbraw/zinc/23/57/47/826235747.db2.gz LPPXATYDFGQDDW-BSXFFOKHSA-N 2 1 347.463 -0.065 20 30 EBEDMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114402992 826235748 /nfs/dbraw/zinc/23/57/48/826235748.db2.gz LPPXATYDFGQDDW-BSXFFOKHSA-N 2 1 347.463 -0.065 20 30 EBEDMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001114426685 826244600 /nfs/dbraw/zinc/24/46/00/826244600.db2.gz QVOWIPPKGKYKEM-SZOQZIPDSA-N 2 1 333.436 -0.453 20 30 EBEDMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001114426685 826244604 /nfs/dbraw/zinc/24/46/04/826244604.db2.gz QVOWIPPKGKYKEM-SZOQZIPDSA-N 2 1 333.436 -0.453 20 30 EBEDMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114426685 826244610 /nfs/dbraw/zinc/24/46/10/826244610.db2.gz QVOWIPPKGKYKEM-SZOQZIPDSA-N 2 1 333.436 -0.453 20 30 EBEDMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114426685 826244615 /nfs/dbraw/zinc/24/46/15/826244615.db2.gz QVOWIPPKGKYKEM-SZOQZIPDSA-N 2 1 333.436 -0.453 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC001114519434 826275399 /nfs/dbraw/zinc/27/53/99/826275399.db2.gz XRNARVXQKHKZNA-WCVJEAGWSA-N 2 1 344.459 -0.201 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001114607036 826296555 /nfs/dbraw/zinc/29/65/55/826296555.db2.gz LFKNLFHRPYLCLL-YQFWSFKMSA-N 2 1 345.447 -0.453 20 30 EBEDMP N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001114607036 826296557 /nfs/dbraw/zinc/29/65/57/826296557.db2.gz LFKNLFHRPYLCLL-YQFWSFKMSA-N 2 1 345.447 -0.453 20 30 EBEDMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001114724870 826324565 /nfs/dbraw/zinc/32/45/65/826324565.db2.gz UWCPMJKPIMTTSU-AIANPOQGSA-N 2 1 347.463 -0.205 20 30 EBEDMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001114724870 826324569 /nfs/dbraw/zinc/32/45/69/826324569.db2.gz UWCPMJKPIMTTSU-AIANPOQGSA-N 2 1 347.463 -0.205 20 30 EBEDMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001114724870 826324574 /nfs/dbraw/zinc/32/45/74/826324574.db2.gz UWCPMJKPIMTTSU-AIANPOQGSA-N 2 1 347.463 -0.205 20 30 EBEDMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001114724870 826324580 /nfs/dbraw/zinc/32/45/80/826324580.db2.gz UWCPMJKPIMTTSU-AIANPOQGSA-N 2 1 347.463 -0.205 20 30 EBEDMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001114921678 826372537 /nfs/dbraw/zinc/37/25/37/826372537.db2.gz QSEWNVMIAOXZRF-DLTWYDFYSA-N 2 1 347.463 -0.065 20 30 EBEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001114921678 826372544 /nfs/dbraw/zinc/37/25/44/826372544.db2.gz QSEWNVMIAOXZRF-DLTWYDFYSA-N 2 1 347.463 -0.065 20 30 EBEDMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114921678 826372549 /nfs/dbraw/zinc/37/25/49/826372549.db2.gz QSEWNVMIAOXZRF-DLTWYDFYSA-N 2 1 347.463 -0.065 20 30 EBEDMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114921678 826372556 /nfs/dbraw/zinc/37/25/56/826372556.db2.gz QSEWNVMIAOXZRF-DLTWYDFYSA-N 2 1 347.463 -0.065 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115123140 826427400 /nfs/dbraw/zinc/42/74/00/826427400.db2.gz KNPIKJIAVWGYMI-KBXIAJHMSA-N 2 1 332.448 -0.181 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001115302740 826503128 /nfs/dbraw/zinc/50/31/28/826503128.db2.gz URVRNDVXGVFLDH-MXSMSXNCSA-N 2 1 346.475 -0.097 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001115302740 826503130 /nfs/dbraw/zinc/50/31/30/826503130.db2.gz URVRNDVXGVFLDH-MXSMSXNCSA-N 2 1 346.475 -0.097 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001120833930 827264550 /nfs/dbraw/zinc/26/45/50/827264550.db2.gz CJHDQZUBVTXUAU-CRIYYSNOSA-N 2 1 332.448 -0.153 20 30 EBEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001183868509 833310241 /nfs/dbraw/zinc/31/02/41/833310241.db2.gz MRFZKRXDVIFXQT-HUUCEWRRSA-N 2 1 335.452 -0.063 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001184434411 833330158 /nfs/dbraw/zinc/33/01/58/833330158.db2.gz XQIKGZLXCTVXKF-NWPKHEMWSA-N 2 1 348.447 -0.658 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001185137006 833347760 /nfs/dbraw/zinc/34/77/60/833347760.db2.gz PFCGPQVUTJHVBZ-HUUCEWRRSA-N 2 1 336.436 -0.965 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001185137006 833347764 /nfs/dbraw/zinc/34/77/64/833347764.db2.gz PFCGPQVUTJHVBZ-HUUCEWRRSA-N 2 1 336.436 -0.965 20 30 EBEDMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001186362666 833398757 /nfs/dbraw/zinc/39/87/57/833398757.db2.gz PBRVATRJZUVOGQ-CQSZACIVSA-N 2 1 332.408 -0.198 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001211176678 837404536 /nfs/dbraw/zinc/40/45/36/837404536.db2.gz NAXZIIRAAHMZPN-GJZGRUSLSA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001211176678 837404540 /nfs/dbraw/zinc/40/45/40/837404540.db2.gz NAXZIIRAAHMZPN-GJZGRUSLSA-N 2 1 336.436 -0.963 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147900505 830428636 /nfs/dbraw/zinc/42/86/36/830428636.db2.gz OXHANMCSOWIRQU-OLZOCXBDSA-N 2 1 339.440 -0.566 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001148226620 830458935 /nfs/dbraw/zinc/45/89/35/830458935.db2.gz LNCPDNUOLLXZLN-MRXNPFEDSA-N 2 1 334.464 -0.144 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001148226620 830458937 /nfs/dbraw/zinc/45/89/37/830458937.db2.gz LNCPDNUOLLXZLN-MRXNPFEDSA-N 2 1 334.464 -0.144 20 30 EBEDMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)C2 ZINC001148284721 830464871 /nfs/dbraw/zinc/46/48/71/830464871.db2.gz BDGWPMOHKLYZFG-UONOGXRCSA-N 2 1 333.436 -0.642 20 30 EBEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)C2 ZINC001148284721 830464875 /nfs/dbraw/zinc/46/48/75/830464875.db2.gz BDGWPMOHKLYZFG-UONOGXRCSA-N 2 1 333.436 -0.642 20 30 EBEDMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC#N)C2 ZINC001148284721 830464880 /nfs/dbraw/zinc/46/48/80/830464880.db2.gz BDGWPMOHKLYZFG-UONOGXRCSA-N 2 1 333.436 -0.642 20 30 EBEDMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC#N)C2 ZINC001148284721 830464886 /nfs/dbraw/zinc/46/48/86/830464886.db2.gz BDGWPMOHKLYZFG-UONOGXRCSA-N 2 1 333.436 -0.642 20 30 EBEDMP C[NH+](C)CCCCC(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC#N)C2 ZINC001148635325 830521085 /nfs/dbraw/zinc/52/10/85/830521085.db2.gz FWHGYESQMLOETK-UHFFFAOYSA-N 2 1 335.452 -0.108 20 30 EBEDMP C[NH+](C)CCCCC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC#N)C2 ZINC001148635325 830521089 /nfs/dbraw/zinc/52/10/89/830521089.db2.gz FWHGYESQMLOETK-UHFFFAOYSA-N 2 1 335.452 -0.108 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999531 831379496 /nfs/dbraw/zinc/37/94/96/831379496.db2.gz JIEBTBJSPSPQNU-CYBMUJFWSA-N 2 1 341.456 -0.224 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999531 831379503 /nfs/dbraw/zinc/37/95/03/831379503.db2.gz JIEBTBJSPSPQNU-CYBMUJFWSA-N 2 1 341.456 -0.224 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)Nc1ccon1 ZINC001160209563 831825511 /nfs/dbraw/zinc/82/55/11/831825511.db2.gz QQLDXNFRXUIVPV-ZDUSSCGKSA-N 2 1 333.392 -0.193 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)Nc1ccon1 ZINC001160209563 831825518 /nfs/dbraw/zinc/82/55/18/831825518.db2.gz QQLDXNFRXUIVPV-ZDUSSCGKSA-N 2 1 333.392 -0.193 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001161551978 831970957 /nfs/dbraw/zinc/97/09/57/831970957.db2.gz NNHZLLVDUHZSPN-GFCCVEGCSA-N 2 1 335.408 -0.416 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001165271234 832209907 /nfs/dbraw/zinc/20/99/07/832209907.db2.gz KZIGUAMTRNJCPK-AWEZNQCLSA-N 2 1 331.420 -0.401 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@@H](O)COC)CC1 ZINC001165546191 832226520 /nfs/dbraw/zinc/22/65/20/832226520.db2.gz YUVPKNQYOWKUSX-CVEARBPZSA-N 2 1 337.464 -0.033 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@@H](O)COC)CC1 ZINC001165546191 832226524 /nfs/dbraw/zinc/22/65/24/832226524.db2.gz YUVPKNQYOWKUSX-CVEARBPZSA-N 2 1 337.464 -0.033 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001168145937 832399345 /nfs/dbraw/zinc/39/93/45/832399345.db2.gz BPRRFBPYOXNKMC-GJZGRUSLSA-N 2 1 334.464 -0.048 20 30 EBEDMP C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001169981997 832487104 /nfs/dbraw/zinc/48/71/04/832487104.db2.gz JBCUZPMRFOQETN-GJZGRUSLSA-N 2 1 340.468 -0.116 20 30 EBEDMP C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001169981997 832487105 /nfs/dbraw/zinc/48/71/05/832487105.db2.gz JBCUZPMRFOQETN-GJZGRUSLSA-N 2 1 340.468 -0.116 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001169990897 832488201 /nfs/dbraw/zinc/48/82/01/832488201.db2.gz KBEJSHZAWGMGSD-GJZGRUSLSA-N 2 1 338.452 -0.669 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001169990897 832488202 /nfs/dbraw/zinc/48/82/02/832488202.db2.gz KBEJSHZAWGMGSD-GJZGRUSLSA-N 2 1 338.452 -0.669 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176972240 832722597 /nfs/dbraw/zinc/72/25/97/832722597.db2.gz RYGULBBIYNZJKN-UHFFFAOYSA-N 2 1 327.429 -0.566 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189034898 834117935 /nfs/dbraw/zinc/11/79/35/834117935.db2.gz QQHMXMREBGOHPO-HYVNUMGLSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189034898 834117940 /nfs/dbraw/zinc/11/79/40/834117940.db2.gz QQHMXMREBGOHPO-HYVNUMGLSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001189788216 834191785 /nfs/dbraw/zinc/19/17/85/834191785.db2.gz VJWDOTPPTGAJSW-HRCADAONSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189788216 834191789 /nfs/dbraw/zinc/19/17/89/834191789.db2.gz VJWDOTPPTGAJSW-HRCADAONSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189788216 834191793 /nfs/dbraw/zinc/19/17/93/834191793.db2.gz VJWDOTPPTGAJSW-HRCADAONSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189788216 834191797 /nfs/dbraw/zinc/19/17/97/834191797.db2.gz VJWDOTPPTGAJSW-HRCADAONSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192028169 834593899 /nfs/dbraw/zinc/59/38/99/834593899.db2.gz CWDFNGXISVDQHJ-CABCVRRESA-N 2 1 334.464 -0.001 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192151629 834617934 /nfs/dbraw/zinc/61/79/34/834617934.db2.gz AQQCMIMDIFFZRH-ZDUSSCGKSA-N 2 1 339.440 -0.517 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192151629 834617940 /nfs/dbraw/zinc/61/79/40/834617940.db2.gz AQQCMIMDIFFZRH-ZDUSSCGKSA-N 2 1 339.440 -0.517 20 30 EBEDMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)C1 ZINC001195548968 835242952 /nfs/dbraw/zinc/24/29/52/835242952.db2.gz MKRUCDFMXNDQJN-BRWVUGGUSA-N 2 1 337.464 -0.081 20 30 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C[NH+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001483845129 1126481407 /nfs/dbraw/zinc/48/14/07/1126481407.db2.gz GXUPVWLQUZRBAL-RHSMWYFYSA-N 2 1 333.436 -0.355 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC001484407632 1126568591 /nfs/dbraw/zinc/56/85/91/1126568591.db2.gz ICAIHQKLBUMWCO-GASCZTMLSA-N 2 1 345.447 -0.355 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001484414834 1126571710 /nfs/dbraw/zinc/57/17/10/1126571710.db2.gz DHHMGWWQHXZSCH-FPCVCCKLSA-N 2 1 332.448 -0.534 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001484414834 1126571711 /nfs/dbraw/zinc/57/17/11/1126571711.db2.gz DHHMGWWQHXZSCH-FPCVCCKLSA-N 2 1 332.448 -0.534 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001484414834 1126571714 /nfs/dbraw/zinc/57/17/14/1126571714.db2.gz DHHMGWWQHXZSCH-FPCVCCKLSA-N 2 1 332.448 -0.534 20 30 EBEDMP COCC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001484444007 1126581176 /nfs/dbraw/zinc/58/11/76/1126581176.db2.gz PNLCTUOFPLFCNG-GOSISDBHSA-N 2 1 337.464 -0.079 20 30 EBEDMP COCC#CC[N@H+]1CCC[C@@](CO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001484444007 1126581178 /nfs/dbraw/zinc/58/11/78/1126581178.db2.gz PNLCTUOFPLFCNG-GOSISDBHSA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001484448253 1126585858 /nfs/dbraw/zinc/58/58/58/1126585858.db2.gz VDOLBHQAOXJLFA-QGZVFWFLSA-N 2 1 333.436 -0.365 20 30 EBEDMP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001484448253 1126585860 /nfs/dbraw/zinc/58/58/60/1126585860.db2.gz VDOLBHQAOXJLFA-QGZVFWFLSA-N 2 1 333.436 -0.365 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001486159293 1127051696 /nfs/dbraw/zinc/05/16/96/1127051696.db2.gz FRCPKQOAXGEJIC-RDTXWAMCSA-N 2 1 345.447 -0.165 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001486159293 1127051701 /nfs/dbraw/zinc/05/17/01/1127051701.db2.gz FRCPKQOAXGEJIC-RDTXWAMCSA-N 2 1 345.447 -0.165 20 30 EBEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001486359512 1127153586 /nfs/dbraw/zinc/15/35/86/1127153586.db2.gz YEPWCVCOGJEISC-CVEARBPZSA-N 2 1 325.453 -0.271 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001487189039 1127428147 /nfs/dbraw/zinc/42/81/47/1127428147.db2.gz FZNJKSOCICVOQO-ZBFHGGJFSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001487189039 1127428148 /nfs/dbraw/zinc/42/81/48/1127428148.db2.gz FZNJKSOCICVOQO-ZBFHGGJFSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)C[C@H]2C)CC1 ZINC001093223187 1128308983 /nfs/dbraw/zinc/30/89/83/1128308983.db2.gz VQCWWKALWZNMIJ-GDBMZVCRSA-N 2 1 334.464 -0.238 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001691709225 1128667170 /nfs/dbraw/zinc/66/71/70/1128667170.db2.gz UUHSRLYIWBHXPV-ZNMIVQPWSA-N 2 1 331.420 -0.792 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001691709225 1128667172 /nfs/dbraw/zinc/66/71/72/1128667172.db2.gz UUHSRLYIWBHXPV-ZNMIVQPWSA-N 2 1 331.420 -0.792 20 30 EBEDMP COCC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001489174120 1128917694 /nfs/dbraw/zinc/91/76/94/1128917694.db2.gz NZQUZKXIYBOQTR-DLBZAZTESA-N 2 1 337.464 -0.127 20 30 EBEDMP COCC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001489174120 1128917696 /nfs/dbraw/zinc/91/76/96/1128917696.db2.gz NZQUZKXIYBOQTR-DLBZAZTESA-N 2 1 337.464 -0.127 20 30 EBEDMP COCC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001489174120 1128917698 /nfs/dbraw/zinc/91/76/98/1128917698.db2.gz NZQUZKXIYBOQTR-DLBZAZTESA-N 2 1 337.464 -0.127 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCN(C)S(C)(=O)=O ZINC001491486437 1130466350 /nfs/dbraw/zinc/46/63/50/1130466350.db2.gz IJUOUBBNKBTVOO-KGLIPLIRSA-N 2 1 344.481 -0.930 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCN(C)S(C)(=O)=O ZINC001491486437 1130466353 /nfs/dbraw/zinc/46/63/53/1130466353.db2.gz IJUOUBBNKBTVOO-KGLIPLIRSA-N 2 1 344.481 -0.930 20 30 EBEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000262537635 379235456 /nfs/dbraw/zinc/23/54/56/379235456.db2.gz QDRSAVYTTBZFDS-AWEZNQCLSA-N 2 1 332.456 -0.841 20 30 EBEDMP C[N@H+]1CCCN(CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1 ZINC000264063802 379243610 /nfs/dbraw/zinc/24/36/10/379243610.db2.gz AIPUIUZPZDASIK-UHFFFAOYSA-N 2 1 346.483 -0.449 20 30 EBEDMP CC[N@H+]1CC[C@@H](CNC(=[NH+]C)N2CCN(c3cnn(C)c3)C(=O)C2)C1 ZINC000261704409 379223782 /nfs/dbraw/zinc/22/37/82/379223782.db2.gz JKWQAUJHPFVVGV-AWEZNQCLSA-N 2 1 347.467 -0.014 20 30 EBEDMP C[NH+]=C(NC[C@H]1CCC[N@H+]1C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261860511 379224447 /nfs/dbraw/zinc/22/44/47/379224447.db2.gz YIEPURPWHCWKRO-CYBMUJFWSA-N 2 1 333.440 -0.262 20 30 EBEDMP COC[C@@H](C)NC(=[NH2+])NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000264147216 379244850 /nfs/dbraw/zinc/24/48/50/379244850.db2.gz YCXMPOXENRMAIH-CQSZACIVSA-N 2 1 335.456 -0.072 20 30 EBEDMP CN1CCC([N@H+]2CC[C@H](Nc3c(C#N)c(=O)n(C)c(=O)n3C)C2)CC1 ZINC000369244136 379378670 /nfs/dbraw/zinc/37/86/70/379378670.db2.gz PXJFVMFBQIMTPH-LBPRGKRZSA-N 2 1 346.435 -0.464 20 30 EBEDMP C#CCN1CCN(C(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C)CC1 ZINC000491780269 379626652 /nfs/dbraw/zinc/62/66/52/379626652.db2.gz JZTYPQHSQQWXQZ-UHFFFAOYSA-N 3 1 337.512 -0.421 20 30 EBEDMP C[NH+](CC#CC[N@H+](C)CC1(O)CCOCC1)CC1(O)CCOCC1 ZINC000342132678 380756158 /nfs/dbraw/zinc/75/61/58/380756158.db2.gz PZUORDFLJRKKMH-UHFFFAOYSA-N 2 1 340.464 -0.064 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430651114 380840390 /nfs/dbraw/zinc/84/03/90/380840390.db2.gz KWKUWKNTYNQMOV-ZDUSSCGKSA-N 2 1 337.424 -0.858 20 30 EBEDMP C[C@@H]1[C@H](C(=O)NCC#CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000648858051 420746070 /nfs/dbraw/zinc/74/60/70/420746070.db2.gz DCVGSBKZDAEUGN-KLHDSHLOSA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000815860389 583712426 /nfs/dbraw/zinc/71/24/26/583712426.db2.gz JAQNHLDJNPYYQT-UHFFFAOYSA-N 2 1 334.424 -0.546 20 30 EBEDMP C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000874382919 584482239 /nfs/dbraw/zinc/48/22/39/584482239.db2.gz NMFDCQHAPXPDAN-CVEARBPZSA-N 2 1 348.447 -0.867 20 30 EBEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000876767809 584522900 /nfs/dbraw/zinc/52/29/00/584522900.db2.gz CPVXGGCOLJKPIP-KBPBESRZSA-N 2 1 330.860 -0.021 20 30 EBEDMP C#CCN(C(=O)NCCC(=O)N1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000914064173 650250980 /nfs/dbraw/zinc/25/09/80/650250980.db2.gz GQLKGAZTOGGONW-UHFFFAOYSA-N 2 1 349.479 -0.111 20 30 EBEDMP C#CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000919517385 650302496 /nfs/dbraw/zinc/30/24/96/650302496.db2.gz QDSJUZABEANHLL-OAHLLOKOSA-N 2 1 349.479 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C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000999391514 726517884 /nfs/dbraw/zinc/51/78/84/726517884.db2.gz LNAFQEOHVCNTST-CVEARBPZSA-N 2 1 330.436 -0.044 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC000999903478 726540771 /nfs/dbraw/zinc/54/07/71/726540771.db2.gz MCEBNHAMUMLPRR-PBHICJAKSA-N 2 1 346.475 -0.144 20 30 EBEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1=O ZINC001021928387 729347239 /nfs/dbraw/zinc/34/72/39/729347239.db2.gz PHFUSCKFEPAHKH-LXTVHRRPSA-N 2 1 336.436 -0.659 20 30 EBEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC001021928387 729347240 /nfs/dbraw/zinc/34/72/40/729347240.db2.gz PHFUSCKFEPAHKH-LXTVHRRPSA-N 2 1 336.436 -0.659 20 30 EBEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001025708575 730077288 /nfs/dbraw/zinc/07/72/88/730077288.db2.gz YYWJHMJXRTYEBM-LEOABGAYSA-N 2 1 332.448 -0.086 20 30 EBEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001025708575 730077290 /nfs/dbraw/zinc/07/72/90/730077290.db2.gz YYWJHMJXRTYEBM-LEOABGAYSA-N 2 1 332.448 -0.086 20 30 EBEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001025708575 730077292 /nfs/dbraw/zinc/07/72/92/730077292.db2.gz YYWJHMJXRTYEBM-LEOABGAYSA-N 2 1 332.448 -0.086 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001029003586 730382948 /nfs/dbraw/zinc/38/29/48/730382948.db2.gz NXXLHVWSNXLZQA-GOEBONIOSA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CCc3ncnn32)C1 ZINC001031742927 730761005 /nfs/dbraw/zinc/76/10/05/730761005.db2.gz XCDQJFPHQKSXHQ-HOTGVXAUSA-N 2 1 342.447 -0.089 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CCc3ncnn32)C1 ZINC001031742927 730761008 /nfs/dbraw/zinc/76/10/08/730761008.db2.gz XCDQJFPHQKSXHQ-HOTGVXAUSA-N 2 1 342.447 -0.089 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCn2cncn2)CC1 ZINC001039042527 731409800 /nfs/dbraw/zinc/40/98/00/731409800.db2.gz SIZDGEAYDFDEKA-INIZCTEOSA-N 2 1 330.436 -0.186 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCn2cncn2)CC1 ZINC001039042527 731409802 /nfs/dbraw/zinc/40/98/02/731409802.db2.gz SIZDGEAYDFDEKA-INIZCTEOSA-N 2 1 330.436 -0.186 20 30 EBEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC#C)CC2)C1 ZINC001046036461 733820247 /nfs/dbraw/zinc/82/02/47/733820247.db2.gz KUBDGZOCPYTZDL-ROUUACIJSA-N 2 1 328.460 -0.064 20 30 EBEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@H+]3CC#C)CC2)C1 ZINC001046036461 733820250 /nfs/dbraw/zinc/82/02/50/733820250.db2.gz KUBDGZOCPYTZDL-ROUUACIJSA-N 2 1 328.460 -0.064 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CC#C)C2)CC1 ZINC001046036461 733820252 /nfs/dbraw/zinc/82/02/52/733820252.db2.gz KUBDGZOCPYTZDL-ROUUACIJSA-N 2 1 328.460 -0.064 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@@H+](CC#C)C2)CC1 ZINC001046036461 733820255 /nfs/dbraw/zinc/82/02/55/733820255.db2.gz KUBDGZOCPYTZDL-ROUUACIJSA-N 2 1 328.460 -0.064 20 30 EBEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC001046087753 733859144 /nfs/dbraw/zinc/85/91/44/733859144.db2.gz ZSMRYFUGULYYNQ-MSOLQXFVSA-N 2 1 348.491 -0.051 20 30 EBEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC001046087753 733859150 /nfs/dbraw/zinc/85/91/50/733859150.db2.gz ZSMRYFUGULYYNQ-MSOLQXFVSA-N 2 1 348.491 -0.051 20 30 EBEDMP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)CC2)C1 ZINC001046087753 733859154 /nfs/dbraw/zinc/85/91/54/733859154.db2.gz ZSMRYFUGULYYNQ-MSOLQXFVSA-N 2 1 348.491 -0.051 20 30 EBEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)CC2)C1 ZINC001046087753 733859161 /nfs/dbraw/zinc/85/91/61/733859161.db2.gz ZSMRYFUGULYYNQ-MSOLQXFVSA-N 2 1 348.491 -0.051 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048868538 734545835 /nfs/dbraw/zinc/54/58/35/734545835.db2.gz CRNOYPVRHHRNON-FZKCQIBNSA-N 2 1 330.432 -0.637 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048868538 734545839 /nfs/dbraw/zinc/54/58/39/734545839.db2.gz CRNOYPVRHHRNON-FZKCQIBNSA-N 2 1 330.432 -0.637 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048868538 734545842 /nfs/dbraw/zinc/54/58/42/734545842.db2.gz CRNOYPVRHHRNON-FZKCQIBNSA-N 2 1 330.432 -0.637 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048868538 734545844 /nfs/dbraw/zinc/54/58/44/734545844.db2.gz CRNOYPVRHHRNON-FZKCQIBNSA-N 2 1 330.432 -0.637 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCO)C1 ZINC001070412774 740816582 /nfs/dbraw/zinc/81/65/82/740816582.db2.gz KACLKZMYMGPHIJ-ZBFHGGJFSA-N 2 1 345.447 -0.095 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[N@H+](CCO)C1 ZINC001070412774 740816583 /nfs/dbraw/zinc/81/65/83/740816583.db2.gz KACLKZMYMGPHIJ-ZBFHGGJFSA-N 2 1 345.447 -0.095 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[NH+](CCO)C1 ZINC001070412774 740816585 /nfs/dbraw/zinc/81/65/85/740816585.db2.gz KACLKZMYMGPHIJ-ZBFHGGJFSA-N 2 1 345.447 -0.095 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[NH+](CCO)C1 ZINC001070412774 740816589 /nfs/dbraw/zinc/81/65/89/740816589.db2.gz KACLKZMYMGPHIJ-ZBFHGGJFSA-N 2 1 345.447 -0.095 20 30 EBEDMP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001070999814 741027175 /nfs/dbraw/zinc/02/71/75/741027175.db2.gz BMSSAKAEDVDCHQ-JKSUJKDBSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001070999814 741027178 /nfs/dbraw/zinc/02/71/78/741027178.db2.gz BMSSAKAEDVDCHQ-JKSUJKDBSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001070999814 741027180 /nfs/dbraw/zinc/02/71/80/741027180.db2.gz BMSSAKAEDVDCHQ-JKSUJKDBSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001070999814 741027183 /nfs/dbraw/zinc/02/71/83/741027183.db2.gz BMSSAKAEDVDCHQ-JKSUJKDBSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCNC2=O)C3)CC1 ZINC001073455902 741617313 /nfs/dbraw/zinc/61/73/13/741617313.db2.gz PWLRMMOSZRHENB-INIZCTEOSA-N 2 1 344.459 -0.246 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](C[C@H](C)O)CCCO2)CC1 ZINC001073899558 741781004 /nfs/dbraw/zinc/78/10/04/741781004.db2.gz WVZJROSPDYIQJH-RDJZCZTQSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](C[C@@H](C)O)CCCO2)CC1 ZINC001073899559 741781127 /nfs/dbraw/zinc/78/11/27/741781127.db2.gz WVZJROSPDYIQJH-WBVHZDCISA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)[C@@H]3CCNC3=O)C2)CC1 ZINC000980477703 805909875 /nfs/dbraw/zinc/90/98/75/805909875.db2.gz JGDNXUSTLQYVRA-HZPDHXFCSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)[C@@H]2C)CC1 ZINC000987577371 807961188 /nfs/dbraw/zinc/96/11/88/807961188.db2.gz UJLPCQHHGACQEN-DZGCQCFKSA-N 2 1 345.451 -0.366 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001002473189 809723570 /nfs/dbraw/zinc/72/35/70/809723570.db2.gz JFAJDWWFLZAIEO-KRWDZBQOSA-N 2 1 346.475 -0.142 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C[C@H]1C ZINC001214878972 810287160 /nfs/dbraw/zinc/28/71/60/810287160.db2.gz LMAVOSMUZDNQEJ-OAGGEKHMSA-N 2 1 330.432 -0.730 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C[C@H]1C ZINC001214878972 810287164 /nfs/dbraw/zinc/28/71/64/810287164.db2.gz LMAVOSMUZDNQEJ-OAGGEKHMSA-N 2 1 330.432 -0.730 20 30 EBEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001216854045 810396199 /nfs/dbraw/zinc/39/61/99/810396199.db2.gz RMQFTNVKLMIMKO-KFWWJZLASA-N 2 1 335.452 -0.063 20 30 EBEDMP COCC#CCN1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001218965517 810549725 /nfs/dbraw/zinc/54/97/25/810549725.db2.gz MUOJCEXCFISLEF-IXDOHACOSA-N 2 1 335.448 -0.110 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]21 ZINC001222959065 811674493 /nfs/dbraw/zinc/67/44/93/811674493.db2.gz KFSGOFOHSLKHHL-OAGGEKHMSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]21 ZINC001222959065 811674496 /nfs/dbraw/zinc/67/44/96/811674496.db2.gz KFSGOFOHSLKHHL-OAGGEKHMSA-N 2 1 334.464 -0.001 20 30 EBEDMP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NCC#N)[C@H]3C2)C1 ZINC001224131245 811745668 /nfs/dbraw/zinc/74/56/68/811745668.db2.gz YCZAMQZNOYCWEF-ILXRZTDVSA-N 2 1 333.436 -0.499 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NCC#N)[C@H]3C2)C1 ZINC001224131245 811745674 /nfs/dbraw/zinc/74/56/74/811745674.db2.gz YCZAMQZNOYCWEF-ILXRZTDVSA-N 2 1 333.436 -0.499 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NCC#N)[C@H]3C2)C1 ZINC001224131245 811745681 /nfs/dbraw/zinc/74/56/81/811745681.db2.gz YCZAMQZNOYCWEF-ILXRZTDVSA-N 2 1 333.436 -0.499 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NCC#N)[C@H]3C2)C1 ZINC001224131245 811745689 /nfs/dbraw/zinc/74/56/89/811745689.db2.gz YCZAMQZNOYCWEF-ILXRZTDVSA-N 2 1 333.436 -0.499 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001224245927 811750766 /nfs/dbraw/zinc/75/07/66/811750766.db2.gz LVVXYIDSXDAARS-CVEARBPZSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224245927 811750772 /nfs/dbraw/zinc/75/07/72/811750772.db2.gz LVVXYIDSXDAARS-CVEARBPZSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224245927 811750777 /nfs/dbraw/zinc/75/07/77/811750777.db2.gz LVVXYIDSXDAARS-CVEARBPZSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001224546129 811764496 /nfs/dbraw/zinc/76/44/96/811764496.db2.gz INZMJFYKJZYKTN-HOCLYGCPSA-N 2 1 334.464 -0.238 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001227408577 811921626 /nfs/dbraw/zinc/92/16/26/811921626.db2.gz NVUHHZMPEBTKQR-INIZCTEOSA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001228156633 811967013 /nfs/dbraw/zinc/96/70/13/811967013.db2.gz PYIXTCRMTKZOCF-UHFFFAOYSA-N 2 1 332.448 -0.055 20 30 EBEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246005156 812558460 /nfs/dbraw/zinc/55/84/60/812558460.db2.gz YLPORLIKVMRJHD-GJZGRUSLSA-N 3 1 343.468 -0.332 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001265673422 813357453 /nfs/dbraw/zinc/35/74/53/813357453.db2.gz FPOADCPGQISBKS-CVEARBPZSA-N 2 1 345.447 -0.306 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001265673422 813357460 /nfs/dbraw/zinc/35/74/60/813357460.db2.gz FPOADCPGQISBKS-CVEARBPZSA-N 2 1 345.447 -0.306 20 30 EBEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001265819476 813377993 /nfs/dbraw/zinc/37/79/93/813377993.db2.gz LIWVVBWVOCECRE-KBPBESRZSA-N 2 1 326.441 -0.554 20 30 EBEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001265819476 813377995 /nfs/dbraw/zinc/37/79/95/813377995.db2.gz LIWVVBWVOCECRE-KBPBESRZSA-N 2 1 326.441 -0.554 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001265819476 813378001 /nfs/dbraw/zinc/37/80/01/813378001.db2.gz LIWVVBWVOCECRE-KBPBESRZSA-N 2 1 326.441 -0.554 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001265819476 813378009 /nfs/dbraw/zinc/37/80/09/813378009.db2.gz LIWVVBWVOCECRE-KBPBESRZSA-N 2 1 326.441 -0.554 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001265936164 813419275 /nfs/dbraw/zinc/41/92/75/813419275.db2.gz GFOLFVBLENZTQL-CABCVRRESA-N 2 1 338.452 -0.410 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C[C@H](O)COC)CC1 ZINC001266494916 813584301 /nfs/dbraw/zinc/58/43/01/813584301.db2.gz CNLRRDRJXLROCE-SJORKVTESA-N 2 1 337.464 -0.081 20 30 EBEDMP N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001266626399 813626980 /nfs/dbraw/zinc/62/69/80/813626980.db2.gz IISOWOQINUKUGE-AJNGGQMLSA-N 2 1 333.436 -0.120 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001266823703 813678790 /nfs/dbraw/zinc/67/87/90/813678790.db2.gz UFWZRIHBRCKJPF-AWEZNQCLSA-N 2 1 332.408 -0.341 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266901120 813695546 /nfs/dbraw/zinc/69/55/46/813695546.db2.gz RPRQJDBDXAMVJR-ZZTPXLKCSA-N 2 1 344.459 -0.488 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001267557794 813929885 /nfs/dbraw/zinc/92/98/85/813929885.db2.gz MRWITLBZUZFKKW-IKGGRYGDSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](C[C@H](O)COC)C1 ZINC001267557794 813929890 /nfs/dbraw/zinc/92/98/90/813929890.db2.gz MRWITLBZUZFKKW-IKGGRYGDSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](C[C@H](O)COC)C1 ZINC001267557794 813929897 /nfs/dbraw/zinc/92/98/97/813929897.db2.gz MRWITLBZUZFKKW-IKGGRYGDSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](C[C@H](O)COC)C1 ZINC001267557794 813929902 /nfs/dbraw/zinc/92/99/02/813929902.db2.gz MRWITLBZUZFKKW-IKGGRYGDSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCOCC1 ZINC001268690985 814353512 /nfs/dbraw/zinc/35/35/12/814353512.db2.gz XMUWJSIVIIWXAO-GJZGRUSLSA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCOCC1 ZINC001268690985 814353519 /nfs/dbraw/zinc/35/35/19/814353519.db2.gz XMUWJSIVIIWXAO-GJZGRUSLSA-N 2 1 336.436 -0.963 20 30 EBEDMP C=CCN1CC[C@@H]([NH2+]CCCN(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001268785478 814385025 /nfs/dbraw/zinc/38/50/25/814385025.db2.gz AUPNXQLPLRNRRS-HUUCEWRRSA-N 2 1 338.452 -0.458 20 30 EBEDMP C=CCN1CC[C@@H]([NH2+]CCCN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001268785478 814385034 /nfs/dbraw/zinc/38/50/34/814385034.db2.gz AUPNXQLPLRNRRS-HUUCEWRRSA-N 2 1 338.452 -0.458 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](CC[NH2+]CC(=O)NCC#N)C2)C1 ZINC001269797839 815609287 /nfs/dbraw/zinc/60/92/87/815609287.db2.gz DBZAKBANUFOIHG-GJZGRUSLSA-N 2 1 335.452 -0.204 20 30 EBEDMP C=CCNC(=O)C[NH+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001271208757 816035720 /nfs/dbraw/zinc/03/57/20/816035720.db2.gz JUFLYKGOFGMTBU-YOEHRIQHSA-N 2 1 338.452 -0.817 20 30 EBEDMP C=CCNC(=O)C[NH+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001271208757 816035727 /nfs/dbraw/zinc/03/57/27/816035727.db2.gz JUFLYKGOFGMTBU-YOEHRIQHSA-N 2 1 338.452 -0.817 20 30 EBEDMP C=CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001271208757 816035733 /nfs/dbraw/zinc/03/57/33/816035733.db2.gz JUFLYKGOFGMTBU-YOEHRIQHSA-N 2 1 338.452 -0.817 20 30 EBEDMP C=CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001271208757 816035740 /nfs/dbraw/zinc/03/57/40/816035740.db2.gz JUFLYKGOFGMTBU-YOEHRIQHSA-N 2 1 338.452 -0.817 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001271217147 816039390 /nfs/dbraw/zinc/03/93/90/816039390.db2.gz SMHQFJYSBACFEB-ZIAGYGMSSA-N 2 1 326.441 -0.554 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001271217147 816039398 /nfs/dbraw/zinc/03/93/98/816039398.db2.gz SMHQFJYSBACFEB-ZIAGYGMSSA-N 2 1 326.441 -0.554 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001086109839 816232812 /nfs/dbraw/zinc/23/28/12/816232812.db2.gz GSJSVFGLBMJEMK-BARDWOONSA-N 2 1 346.431 -0.626 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001086109839 816232818 /nfs/dbraw/zinc/23/28/18/816232818.db2.gz GSJSVFGLBMJEMK-BARDWOONSA-N 2 1 346.431 -0.626 20 30 EBEDMP CC[C@@H](C(=O)N[C@@]1(CO)CCC[N@H+](CC#CCOC)C1)[NH+](C)C ZINC001271987242 816283823 /nfs/dbraw/zinc/28/38/23/816283823.db2.gz GEUNGIZATRUWPH-RDJZCZTQSA-N 2 1 325.453 -0.081 20 30 EBEDMP CC[C@@H](C(=O)N[C@@]1(CO)CCC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001271987242 816283827 /nfs/dbraw/zinc/28/38/27/816283827.db2.gz GEUNGIZATRUWPH-RDJZCZTQSA-N 2 1 325.453 -0.081 20 30 EBEDMP C#CCN1C[C@]2(CC[N@H+](CCCN3CC[NH+](C)CC3)C2)OCC1=O ZINC001273728731 816742661 /nfs/dbraw/zinc/74/26/61/816742661.db2.gz YMIGPJNIJWVQEH-GOSISDBHSA-N 2 1 334.464 -0.440 20 30 EBEDMP CN1CCN(C(=O)C[N@H+]2CC[C@@]3(CCN(CCCC#N)C3=O)C2)CC1 ZINC001273836067 816779138 /nfs/dbraw/zinc/77/91/38/816779138.db2.gz MSPVDETUJCHXQQ-GOSISDBHSA-N 2 1 347.463 -0.011 20 30 EBEDMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)NCC#N)CC2(C)C)C1 ZINC001274460083 816968408 /nfs/dbraw/zinc/96/84/08/816968408.db2.gz LAYJKJOYDBMMMY-KGLIPLIRSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)NCC#N)CC2(C)C)C1 ZINC001274460083 816968413 /nfs/dbraw/zinc/96/84/13/816968413.db2.gz LAYJKJOYDBMMMY-KGLIPLIRSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)CC2(C)C)C1 ZINC001274460083 816968415 /nfs/dbraw/zinc/96/84/15/816968415.db2.gz LAYJKJOYDBMMMY-KGLIPLIRSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)CC2(C)C)C1 ZINC001274460083 816968417 /nfs/dbraw/zinc/96/84/17/816968417.db2.gz LAYJKJOYDBMMMY-KGLIPLIRSA-N 2 1 335.452 -0.205 20 30 EBEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N)C2 ZINC001275309999 817194990 /nfs/dbraw/zinc/19/49/90/817194990.db2.gz VBQBMZUBWDYAHV-AAEUAGOBSA-N 2 1 332.408 -0.512 20 30 EBEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](O)C1 ZINC001090636573 817601648 /nfs/dbraw/zinc/60/16/48/817601648.db2.gz GACXZKRHSZAUOA-JKSUJKDBSA-N 2 1 333.436 -0.367 20 30 EBEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](O)C1 ZINC001090636573 817601652 /nfs/dbraw/zinc/60/16/52/817601652.db2.gz GACXZKRHSZAUOA-JKSUJKDBSA-N 2 1 333.436 -0.367 20 30 EBEDMP COCC#CC[NH2+][C@H](CO)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001278179012 817718246 /nfs/dbraw/zinc/71/82/46/817718246.db2.gz NFACGTVQWKDRFF-HNNXBMFYSA-N 2 1 343.387 -0.403 20 30 EBEDMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]CC(=O)NCC#N)C(C)(C)C2)C1 ZINC001278684890 817793721 /nfs/dbraw/zinc/79/37/21/817793721.db2.gz NOSDGTIOOMCCEA-ZIAGYGMSSA-N 2 1 335.452 -0.205 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001278685935 817794058 /nfs/dbraw/zinc/79/40/58/817794058.db2.gz FVHVDFIQHRBBOJ-QAPCUYQASA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001278685935 817794060 /nfs/dbraw/zinc/79/40/60/817794060.db2.gz FVHVDFIQHRBBOJ-QAPCUYQASA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001278685935 817794062 /nfs/dbraw/zinc/79/40/62/817794062.db2.gz FVHVDFIQHRBBOJ-QAPCUYQASA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001278685935 817794064 /nfs/dbraw/zinc/79/40/64/817794064.db2.gz FVHVDFIQHRBBOJ-QAPCUYQASA-N 2 1 334.464 -0.094 20 30 EBEDMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001279416447 817928981 /nfs/dbraw/zinc/92/89/81/817928981.db2.gz SEUAKVMTQHRWFD-YHUYYLMFSA-N 2 1 347.463 -0.111 20 30 EBEDMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001279416443 817929107 /nfs/dbraw/zinc/92/91/07/817929107.db2.gz SEUAKVMTQHRWFD-FPCVCCKLSA-N 2 1 347.463 -0.111 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC=C(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001279668709 817966270 /nfs/dbraw/zinc/96/62/70/817966270.db2.gz FCNKWARAEAVSKJ-INIZCTEOSA-N 2 1 332.448 -0.174 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC=C(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001279668709 817966276 /nfs/dbraw/zinc/96/62/76/817966276.db2.gz FCNKWARAEAVSKJ-INIZCTEOSA-N 2 1 332.448 -0.174 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC=C(CNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001279668709 817966282 /nfs/dbraw/zinc/96/62/82/817966282.db2.gz FCNKWARAEAVSKJ-INIZCTEOSA-N 2 1 332.448 -0.174 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC=C(CNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001279668709 817966286 /nfs/dbraw/zinc/96/62/86/817966286.db2.gz FCNKWARAEAVSKJ-INIZCTEOSA-N 2 1 332.448 -0.174 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001281185742 818069950 /nfs/dbraw/zinc/06/99/50/818069950.db2.gz XFKXALAIILHYKV-QGZVFWFLSA-N 2 1 338.452 -0.979 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC2(CCO)C[NH+](C[C@@H]3CCOC3)C2)CC1 ZINC001282545437 818451277 /nfs/dbraw/zinc/45/12/77/818451277.db2.gz QMYXPRRGNPJLKG-INIZCTEOSA-N 2 1 349.475 -0.079 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001282876333 818513308 /nfs/dbraw/zinc/51/33/08/818513308.db2.gz UWCKAELPCJQOSP-FPCVCCKLSA-N 2 1 346.475 -0.240 20 30 EBEDMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001282929043 818535173 /nfs/dbraw/zinc/53/51/73/818535173.db2.gz NTZRORWTXILGKG-UONOGXRCSA-N 2 1 339.440 -0.827 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001282956331 818547572 /nfs/dbraw/zinc/54/75/72/818547572.db2.gz FTEDLNKSIAKHKU-OAHLLOKOSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001282956331 818547573 /nfs/dbraw/zinc/54/75/73/818547573.db2.gz FTEDLNKSIAKHKU-OAHLLOKOSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001282956331 818547575 /nfs/dbraw/zinc/54/75/75/818547575.db2.gz FTEDLNKSIAKHKU-OAHLLOKOSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001282956331 818547578 /nfs/dbraw/zinc/54/75/78/818547578.db2.gz FTEDLNKSIAKHKU-OAHLLOKOSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001283505872 818831958 /nfs/dbraw/zinc/83/19/58/818831958.db2.gz CQOMDIJOPKQREA-IRXDYDNUSA-N 2 1 344.459 -0.340 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001283505872 818831964 /nfs/dbraw/zinc/83/19/64/818831964.db2.gz CQOMDIJOPKQREA-IRXDYDNUSA-N 2 1 344.459 -0.340 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]Cc2cc(C)ncn2)CC1 ZINC001283832557 818991696 /nfs/dbraw/zinc/99/16/96/818991696.db2.gz UUQDMCJQNFXSKK-KRWDZBQOSA-N 2 1 345.447 -0.303 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCNC2=O)CC1 ZINC001098462847 819200359 /nfs/dbraw/zinc/20/03/59/819200359.db2.gz QHAJVJLMLJUICS-NCOADZHNSA-N 2 1 344.459 -0.058 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCNC2=O)CC1 ZINC001098462847 819200363 /nfs/dbraw/zinc/20/03/63/819200363.db2.gz QHAJVJLMLJUICS-NCOADZHNSA-N 2 1 344.459 -0.058 20 30 EBEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001098532722 819234076 /nfs/dbraw/zinc/23/40/76/819234076.db2.gz BKGQPSCEGOQSHZ-UHFFFAOYSA-N 2 1 325.453 -0.127 20 30 EBEDMP COCC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001284501894 819258680 /nfs/dbraw/zinc/25/86/80/819258680.db2.gz KFABEAFEDIMZSP-HOTGVXAUSA-N 2 1 325.453 -0.128 20 30 EBEDMP COCC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001284501894 819258685 /nfs/dbraw/zinc/25/86/85/819258685.db2.gz KFABEAFEDIMZSP-HOTGVXAUSA-N 2 1 325.453 -0.128 20 30 EBEDMP COCC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001284501894 819258691 /nfs/dbraw/zinc/25/86/91/819258691.db2.gz KFABEAFEDIMZSP-HOTGVXAUSA-N 2 1 325.453 -0.128 20 30 EBEDMP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001284713186 819335382 /nfs/dbraw/zinc/33/53/82/819335382.db2.gz VIZFQMVFMLMJFJ-ZFWWWQNUSA-N 2 1 335.452 -0.063 20 30 EBEDMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001284713186 819335389 /nfs/dbraw/zinc/33/53/89/819335389.db2.gz VIZFQMVFMLMJFJ-ZFWWWQNUSA-N 2 1 335.452 -0.063 20 30 EBEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100080705 820178637 /nfs/dbraw/zinc/17/86/37/820178637.db2.gz LQJIQFYKMUGEGE-CVEARBPZSA-N 2 1 325.453 -0.081 20 30 EBEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100080705 820178641 /nfs/dbraw/zinc/17/86/41/820178641.db2.gz LQJIQFYKMUGEGE-CVEARBPZSA-N 2 1 325.453 -0.081 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001100405982 820405679 /nfs/dbraw/zinc/40/56/79/820405679.db2.gz WDUOCPUHBFEUBW-NRXISQOPSA-N 2 1 343.431 -0.006 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](C[C@H](O)COC)C[C@@]2(C)C1 ZINC001101270683 820742463 /nfs/dbraw/zinc/74/24/63/820742463.db2.gz VZDSWQSJWWXSHY-DFEOGRTESA-N 2 1 349.475 -0.128 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](C[C@H](O)COC)C[C@@]2(C)C1 ZINC001101270683 820742468 /nfs/dbraw/zinc/74/24/68/820742468.db2.gz VZDSWQSJWWXSHY-DFEOGRTESA-N 2 1 349.475 -0.128 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](C[C@H](O)COC)C[C@@]2(C)C1 ZINC001101270683 820742472 /nfs/dbraw/zinc/74/24/72/820742472.db2.gz VZDSWQSJWWXSHY-DFEOGRTESA-N 2 1 349.475 -0.128 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](C[C@H](O)COC)C[C@@]2(C)C1 ZINC001101270683 820742474 /nfs/dbraw/zinc/74/24/74/820742474.db2.gz VZDSWQSJWWXSHY-DFEOGRTESA-N 2 1 349.475 -0.128 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101460681 820796637 /nfs/dbraw/zinc/79/66/37/820796637.db2.gz RSKPOEADPIPMME-DAYGRLMNSA-N 2 1 332.448 -0.532 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460681 820796645 /nfs/dbraw/zinc/79/66/45/820796645.db2.gz RSKPOEADPIPMME-DAYGRLMNSA-N 2 1 332.448 -0.532 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460681 820796651 /nfs/dbraw/zinc/79/66/51/820796651.db2.gz RSKPOEADPIPMME-DAYGRLMNSA-N 2 1 332.448 -0.532 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101976263 820979934 /nfs/dbraw/zinc/97/99/34/820979934.db2.gz SJWOSBRTQUJNDJ-DJIMGWMZSA-N 2 1 346.475 -0.238 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C[C@H](O)COC)C[C@H]1C ZINC001102056239 821015464 /nfs/dbraw/zinc/01/54/64/821015464.db2.gz XNTVPLLGQYJBQZ-NCOADZHNSA-N 2 1 337.464 -0.225 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1C ZINC001102056239 821015474 /nfs/dbraw/zinc/01/54/74/821015474.db2.gz XNTVPLLGQYJBQZ-NCOADZHNSA-N 2 1 337.464 -0.225 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](C[C@H](O)COC)C[C@H]1C ZINC001102056239 821015484 /nfs/dbraw/zinc/01/54/84/821015484.db2.gz XNTVPLLGQYJBQZ-NCOADZHNSA-N 2 1 337.464 -0.225 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](C[C@H](O)COC)C[C@H]1C ZINC001102056239 821015495 /nfs/dbraw/zinc/01/54/95/821015495.db2.gz XNTVPLLGQYJBQZ-NCOADZHNSA-N 2 1 337.464 -0.225 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001103723301 821345022 /nfs/dbraw/zinc/34/50/22/821345022.db2.gz CZVCVABWGJYSFU-UKRRQHHQSA-N 2 1 346.435 -0.095 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001103723301 821345031 /nfs/dbraw/zinc/34/50/31/821345031.db2.gz CZVCVABWGJYSFU-UKRRQHHQSA-N 2 1 346.435 -0.095 20 30 EBEDMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001105008302 821570829 /nfs/dbraw/zinc/57/08/29/821570829.db2.gz XHPBINWBZQXEFM-KFWWJZLASA-N 2 1 335.452 -0.348 20 30 EBEDMP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001317207223 822035788 /nfs/dbraw/zinc/03/57/88/822035788.db2.gz UQRWYTPCIUIZBS-HUUCEWRRSA-N 2 1 347.463 -0.061 20 30 EBEDMP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001317207223 822035796 /nfs/dbraw/zinc/03/57/96/822035796.db2.gz UQRWYTPCIUIZBS-HUUCEWRRSA-N 2 1 347.463 -0.061 20 30 EBEDMP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001317207225 822035811 /nfs/dbraw/zinc/03/58/11/822035811.db2.gz UQRWYTPCIUIZBS-LSDHHAIUSA-N 2 1 347.463 -0.061 20 30 EBEDMP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001317207225 822035819 /nfs/dbraw/zinc/03/58/19/822035819.db2.gz UQRWYTPCIUIZBS-LSDHHAIUSA-N 2 1 347.463 -0.061 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CCN1C(=O)CCC1=O ZINC001317479750 822126383 /nfs/dbraw/zinc/12/63/83/822126383.db2.gz MBXLEEGKADWFPC-HNNXBMFYSA-N 2 1 348.447 -0.329 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CCN1C(=O)CCC1=O ZINC001317479750 822126387 /nfs/dbraw/zinc/12/63/87/822126387.db2.gz MBXLEEGKADWFPC-HNNXBMFYSA-N 2 1 348.447 -0.329 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CCN1C(=O)CCC1=O ZINC001317479750 822126394 /nfs/dbraw/zinc/12/63/94/822126394.db2.gz MBXLEEGKADWFPC-HNNXBMFYSA-N 2 1 348.447 -0.329 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CCN1C(=O)CCC1=O ZINC001317479750 822126400 /nfs/dbraw/zinc/12/64/00/822126400.db2.gz MBXLEEGKADWFPC-HNNXBMFYSA-N 2 1 348.447 -0.329 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317627660 822183466 /nfs/dbraw/zinc/18/34/66/822183466.db2.gz VUVJWRHDBPWXAH-ZDUSSCGKSA-N 2 1 339.440 -0.612 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129363488 828604507 /nfs/dbraw/zinc/60/45/07/828604507.db2.gz HUQVJJYXVCPZQA-HNNXBMFYSA-N 2 1 336.436 -0.915 20 30 EBEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129683848 828655846 /nfs/dbraw/zinc/65/58/46/828655846.db2.gz BQYZNVRIXOYZKF-OAGGEKHMSA-N 2 1 346.435 -0.636 20 30 EBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129855592 828681495 /nfs/dbraw/zinc/68/14/95/828681495.db2.gz OJSXPSPXFKHJOG-FPCVCCKLSA-N 2 1 330.436 -0.017 20 30 EBEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC#CCOC)[C@@H](n2ccnn2)C1 ZINC001130107411 828733135 /nfs/dbraw/zinc/73/31/35/828733135.db2.gz PDQBTQJLFHHCBO-CVEARBPZSA-N 2 1 348.451 -0.389 20 30 EBEDMP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[NH+](C)C)[nH]1 ZINC001130234656 828763566 /nfs/dbraw/zinc/76/35/66/828763566.db2.gz GQOSXOPKJSQODO-KBPBESRZSA-N 2 1 348.451 -0.142 20 30 EBEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCC[NH+](C)C)[nH]1 ZINC001130232864 828762563 /nfs/dbraw/zinc/76/25/63/828762563.db2.gz QTUIXGMGFLEKPY-KBPBESRZSA-N 2 1 348.451 -0.142 20 30 EBEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001130249189 828766393 /nfs/dbraw/zinc/76/63/93/828766393.db2.gz OBROFPYKAHHMCJ-RDBSUJKOSA-N 2 1 346.435 -0.532 20 30 EBEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001130249189 828766398 /nfs/dbraw/zinc/76/63/98/828766398.db2.gz OBROFPYKAHHMCJ-RDBSUJKOSA-N 2 1 346.435 -0.532 20 30 EBEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001130249189 828766401 /nfs/dbraw/zinc/76/64/01/828766401.db2.gz OBROFPYKAHHMCJ-RDBSUJKOSA-N 2 1 346.435 -0.532 20 30 EBEDMP C[N@@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NCC#N)C3)C1 ZINC001111939559 825349319 /nfs/dbraw/zinc/34/93/19/825349319.db2.gz HGBLCSXFFRRMMX-VKJFTORMSA-N 2 1 347.463 -0.061 20 30 EBEDMP C[N@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NCC#N)C3)C1 ZINC001111939559 825349329 /nfs/dbraw/zinc/34/93/29/825349329.db2.gz HGBLCSXFFRRMMX-VKJFTORMSA-N 2 1 347.463 -0.061 20 30 EBEDMP C[NH+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NCC#N)C3)C1 ZINC001111939559 825349338 /nfs/dbraw/zinc/34/93/38/825349338.db2.gz HGBLCSXFFRRMMX-VKJFTORMSA-N 2 1 347.463 -0.061 20 30 EBEDMP C[NH+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NCC#N)C3)C1 ZINC001111939559 825349345 /nfs/dbraw/zinc/34/93/45/825349345.db2.gz HGBLCSXFFRRMMX-VKJFTORMSA-N 2 1 347.463 -0.061 20 30 EBEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(CC(=O)NCC#N)C[C@H]21 ZINC001114263556 826186188 /nfs/dbraw/zinc/18/61/88/826186188.db2.gz XDDZNMSUEKVYIW-KNCOVGOOSA-N 2 1 333.436 -0.455 20 30 EBEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001114263556 826186191 /nfs/dbraw/zinc/18/61/91/826186191.db2.gz XDDZNMSUEKVYIW-KNCOVGOOSA-N 2 1 333.436 -0.455 20 30 EBEDMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114263556 826186192 /nfs/dbraw/zinc/18/61/92/826186192.db2.gz XDDZNMSUEKVYIW-KNCOVGOOSA-N 2 1 333.436 -0.455 20 30 EBEDMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114263556 826186193 /nfs/dbraw/zinc/18/61/93/826186193.db2.gz XDDZNMSUEKVYIW-KNCOVGOOSA-N 2 1 333.436 -0.455 20 30 EBEDMP C[N@H+]1CC[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CC(=O)NCC#N)C3)C1 ZINC001122178129 827537799 /nfs/dbraw/zinc/53/77/99/827537799.db2.gz WJEBMMLAERXXJN-VZHDMLGISA-N 2 1 333.436 -0.405 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183410989 833289775 /nfs/dbraw/zinc/28/97/75/833289775.db2.gz VGHYTPZBUIRCIB-RVKKMQEKSA-N 2 1 334.464 -0.238 20 30 EBEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125203175 828072499 /nfs/dbraw/zinc/07/24/99/828072499.db2.gz JUJLKRWVJQUHJY-CABCVRRESA-N 2 1 340.468 -0.164 20 30 EBEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125203175 828072509 /nfs/dbraw/zinc/07/25/09/828072509.db2.gz JUJLKRWVJQUHJY-CABCVRRESA-N 2 1 340.468 -0.164 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NCC=C)C1 ZINC001183361376 833288082 /nfs/dbraw/zinc/28/80/82/833288082.db2.gz RVECZYGBOIVATI-XHSDSOJGSA-N 2 1 332.448 -0.035 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NCC=C)C1 ZINC001183361376 833288083 /nfs/dbraw/zinc/28/80/83/833288083.db2.gz RVECZYGBOIVATI-XHSDSOJGSA-N 2 1 332.448 -0.035 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001183361029 833288383 /nfs/dbraw/zinc/28/83/83/833288383.db2.gz CWFBMAULFHZQLV-BMFZPTHFSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001183361029 833288384 /nfs/dbraw/zinc/28/83/84/833288384.db2.gz CWFBMAULFHZQLV-BMFZPTHFSA-N 2 1 332.448 -0.058 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001185137146 833347719 /nfs/dbraw/zinc/34/77/19/833347719.db2.gz RLMOAPONJZPDFH-CABCVRRESA-N 2 1 338.452 -0.412 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001185137146 833347722 /nfs/dbraw/zinc/34/77/22/833347722.db2.gz RLMOAPONJZPDFH-CABCVRRESA-N 2 1 338.452 -0.412 20 30 EBEDMP C=CCOCC[N@@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131381134 829121314 /nfs/dbraw/zinc/12/13/14/829121314.db2.gz IMBAQJPDDKISIX-UHFFFAOYSA-N 2 1 340.468 -0.209 20 30 EBEDMP C=CCOCC[N@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131381134 829121321 /nfs/dbraw/zinc/12/13/21/829121321.db2.gz IMBAQJPDDKISIX-UHFFFAOYSA-N 2 1 340.468 -0.209 20 30 EBEDMP C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132426130 829454007 /nfs/dbraw/zinc/45/40/07/829454007.db2.gz SECYWOATBLIEFJ-HUUCEWRRSA-N 2 1 340.468 -0.164 20 30 EBEDMP C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132426130 829454011 /nfs/dbraw/zinc/45/40/11/829454011.db2.gz SECYWOATBLIEFJ-HUUCEWRRSA-N 2 1 340.468 -0.164 20 30 EBEDMP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132426129 829454306 /nfs/dbraw/zinc/45/43/06/829454306.db2.gz SECYWOATBLIEFJ-GJZGRUSLSA-N 2 1 340.468 -0.164 20 30 EBEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132426129 829454312 /nfs/dbraw/zinc/45/43/12/829454312.db2.gz SECYWOATBLIEFJ-GJZGRUSLSA-N 2 1 340.468 -0.164 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133849947 829686852 /nfs/dbraw/zinc/68/68/52/829686852.db2.gz IAZXTEHECFDZEK-INIZCTEOSA-N 2 1 326.416 -0.346 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2C)CC1 ZINC001211307667 837426100 /nfs/dbraw/zinc/42/61/00/837426100.db2.gz VTZLBGDDGATTDU-NVXWUHKLSA-N 2 1 337.464 -0.223 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@H](O)COC)C2 ZINC001147737375 830404243 /nfs/dbraw/zinc/40/42/43/830404243.db2.gz VZMUKZWKVFTENH-HOTGVXAUSA-N 2 1 335.448 -0.374 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@H](O)COC)C2 ZINC001147737375 830404247 /nfs/dbraw/zinc/40/42/47/830404247.db2.gz VZMUKZWKVFTENH-HOTGVXAUSA-N 2 1 335.448 -0.374 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](O)COC)C2 ZINC001147737375 830404249 /nfs/dbraw/zinc/40/42/49/830404249.db2.gz VZMUKZWKVFTENH-HOTGVXAUSA-N 2 1 335.448 -0.374 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](O)COC)C2 ZINC001147737375 830404252 /nfs/dbraw/zinc/40/42/52/830404252.db2.gz VZMUKZWKVFTENH-HOTGVXAUSA-N 2 1 335.448 -0.374 20 30 EBEDMP CC(C)[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC#N)C2)[NH+](C)C ZINC001147749513 830405272 /nfs/dbraw/zinc/40/52/72/830405272.db2.gz WJXPBSLKCAETKB-HNNXBMFYSA-N 2 1 335.452 -0.253 20 30 EBEDMP CC(C)[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC#N)C2)[NH+](C)C ZINC001147749513 830405274 /nfs/dbraw/zinc/40/52/74/830405274.db2.gz WJXPBSLKCAETKB-HNNXBMFYSA-N 2 1 335.452 -0.253 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148604519 830516506 /nfs/dbraw/zinc/51/65/06/830516506.db2.gz HWGRPQZGVCPECF-OAHLLOKOSA-N 2 1 332.448 -0.388 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001148604519 830516517 /nfs/dbraw/zinc/51/65/17/830516517.db2.gz HWGRPQZGVCPECF-OAHLLOKOSA-N 2 1 332.448 -0.388 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148604519 830516527 /nfs/dbraw/zinc/51/65/27/830516527.db2.gz HWGRPQZGVCPECF-OAHLLOKOSA-N 2 1 332.448 -0.388 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148604519 830516536 /nfs/dbraw/zinc/51/65/36/830516536.db2.gz HWGRPQZGVCPECF-OAHLLOKOSA-N 2 1 332.448 -0.388 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001148611919 830518132 /nfs/dbraw/zinc/51/81/32/830518132.db2.gz RWCPOFSPDILNFY-HNNXBMFYSA-N 2 1 344.459 -0.246 20 30 EBEDMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#Cc2ccccc2)C1 ZINC001151048727 831015064 /nfs/dbraw/zinc/01/50/64/831015064.db2.gz DXBNKAFCHZUVGY-QGZVFWFLSA-N 2 1 342.443 -0.188 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)C[C@H](O)COC ZINC001153864595 831280778 /nfs/dbraw/zinc/28/07/78/831280778.db2.gz ZQJBYZTYZQKRGQ-PMPSAXMXSA-N 2 1 325.453 -0.082 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)C[C@H](O)COC ZINC001153864595 831280788 /nfs/dbraw/zinc/28/07/88/831280788.db2.gz ZQJBYZTYZQKRGQ-PMPSAXMXSA-N 2 1 325.453 -0.082 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C[C@H](O)COC ZINC001153864595 831280794 /nfs/dbraw/zinc/28/07/94/831280794.db2.gz ZQJBYZTYZQKRGQ-PMPSAXMXSA-N 2 1 325.453 -0.082 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C[C@H](O)COC ZINC001153864595 831280802 /nfs/dbraw/zinc/28/08/02/831280802.db2.gz ZQJBYZTYZQKRGQ-PMPSAXMXSA-N 2 1 325.453 -0.082 20 30 EBEDMP C#C[C@](C)(N)C(=O)N1CC[C@H](N2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001159075260 831706335 /nfs/dbraw/zinc/70/63/35/831706335.db2.gz FLCULKMOTORULG-JQFCIGGWSA-N 2 1 337.420 -0.408 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCOCCNC(C)=O ZINC001160209177 831825538 /nfs/dbraw/zinc/82/55/38/831825538.db2.gz BNNHQGROTZZFSO-INIZCTEOSA-N 2 1 338.452 -0.667 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCOCCNC(C)=O ZINC001160209177 831825544 /nfs/dbraw/zinc/82/55/44/831825544.db2.gz BNNHQGROTZZFSO-INIZCTEOSA-N 2 1 338.452 -0.667 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001164535808 832195165 /nfs/dbraw/zinc/19/51/65/832195165.db2.gz GNDSJQYMBVJWKT-GJZGRUSLSA-N 2 1 340.468 -0.118 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001165278793 832210656 /nfs/dbraw/zinc/21/06/56/832210656.db2.gz XCEBXIJZTSQWLG-DZGCQCFKSA-N 2 1 345.447 -0.012 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001168145938 832399741 /nfs/dbraw/zinc/39/97/41/832399741.db2.gz BPRRFBPYOXNKMC-HUUCEWRRSA-N 2 1 334.464 -0.048 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176986079 832725953 /nfs/dbraw/zinc/72/59/53/832725953.db2.gz DFLRULOONWUVDQ-ZDUSSCGKSA-N 2 1 341.456 -0.177 20 30 EBEDMP C[NH+]1CCC(CC(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)CC1 ZINC001189317159 834143350 /nfs/dbraw/zinc/14/33/50/834143350.db2.gz HIWXNIBIIXTAKN-JKSUJKDBSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[NH+]1CCC(CC(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)CC1 ZINC001189317159 834143353 /nfs/dbraw/zinc/14/33/53/834143353.db2.gz HIWXNIBIIXTAKN-JKSUJKDBSA-N 2 1 347.463 -0.109 20 30 EBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190195565 834242887 /nfs/dbraw/zinc/24/28/87/834242887.db2.gz HQXGVBJDKVHDJR-JKSUJKDBSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190195565 834242894 /nfs/dbraw/zinc/24/28/94/834242894.db2.gz HQXGVBJDKVHDJR-JKSUJKDBSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190195507 834243554 /nfs/dbraw/zinc/24/35/54/834243554.db2.gz HQXGVBJDKVHDJR-CVEARBPZSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190195507 834243562 /nfs/dbraw/zinc/24/35/62/834243562.db2.gz HQXGVBJDKVHDJR-CVEARBPZSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190435518 834268566 /nfs/dbraw/zinc/26/85/66/834268566.db2.gz FYQDKELXRWGPQX-HUUCEWRRSA-N 2 1 340.443 -0.052 20 30 EBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190435518 834268574 /nfs/dbraw/zinc/26/85/74/834268574.db2.gz FYQDKELXRWGPQX-HUUCEWRRSA-N 2 1 340.443 -0.052 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)C[C@H](O)COC)C2)CC1 ZINC001194247327 835059605 /nfs/dbraw/zinc/05/96/05/835059605.db2.gz WPHNZEUKNIGOMY-IRXDYDNUSA-N 2 1 337.464 -0.128 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001199943806 835883255 /nfs/dbraw/zinc/88/32/55/835883255.db2.gz QVUFPIYZIDLZQR-ZFWWWQNUSA-N 2 1 338.452 -0.412 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943806 835883261 /nfs/dbraw/zinc/88/32/61/835883261.db2.gz QVUFPIYZIDLZQR-ZFWWWQNUSA-N 2 1 338.452 -0.412 20 30 EBEDMP COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200183433 835926175 /nfs/dbraw/zinc/92/61/75/835926175.db2.gz XONLLDUFGCOULS-HOTGVXAUSA-N 2 1 339.436 -0.826 20 30 EBEDMP COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200183433 835926182 /nfs/dbraw/zinc/92/61/82/835926182.db2.gz XONLLDUFGCOULS-HOTGVXAUSA-N 2 1 339.436 -0.826 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001202947253 836371882 /nfs/dbraw/zinc/37/18/82/836371882.db2.gz LSJMORHWXACZEN-UHFFFAOYSA-N 2 1 336.436 -0.961 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203732469 836468929 /nfs/dbraw/zinc/46/89/29/836468929.db2.gz YWARPWQPJGAAGJ-HUUCEWRRSA-N 2 1 343.431 -0.042 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1 ZINC001205479323 836568941 /nfs/dbraw/zinc/56/89/41/836568941.db2.gz GNIMQJWZCLQGLX-INIZCTEOSA-N 2 1 345.447 -0.448 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1 ZINC001205479323 836568946 /nfs/dbraw/zinc/56/89/46/836568946.db2.gz GNIMQJWZCLQGLX-INIZCTEOSA-N 2 1 345.447 -0.448 20 30 EBEDMP C[N@H+]1CC[C@H](CC(=O)N2CCC(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001206872578 836685761 /nfs/dbraw/zinc/68/57/61/836685761.db2.gz 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TXBUKMQLCDISAP-QGZUEGPWSA-N 2 1 332.448 -0.032 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCN1CCCC1=O ZINC001321098138 838907324 /nfs/dbraw/zinc/90/73/24/838907324.db2.gz TXBUKMQLCDISAP-QGZUEGPWSA-N 2 1 332.448 -0.032 20 30 EBEDMP C[NH+](C)CC1(C(=O)N2CC[C@@]3(CC[N@H+](CC(=O)NCC#N)C3)C2)CC1 ZINC001323858409 839544034 /nfs/dbraw/zinc/54/40/34/839544034.db2.gz CHIWLSDPXRZVCH-QGZVFWFLSA-N 2 1 347.463 -0.108 20 30 EBEDMP C[NH+](C)CC1(C(=O)N2CC[C@@]3(CC[N@@H+](CC(=O)NCC#N)C3)C2)CC1 ZINC001323858409 839544041 /nfs/dbraw/zinc/54/40/41/839544041.db2.gz CHIWLSDPXRZVCH-QGZVFWFLSA-N 2 1 347.463 -0.108 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001326992563 840262647 /nfs/dbraw/zinc/26/26/47/840262647.db2.gz WDNZFULHXLLECD-CVEARBPZSA-N 2 1 346.435 -0.807 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001326992563 840262658 /nfs/dbraw/zinc/26/26/58/840262658.db2.gz WDNZFULHXLLECD-CVEARBPZSA-N 2 1 346.435 -0.807 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001332282672 841604890 /nfs/dbraw/zinc/60/48/90/841604890.db2.gz QGQFVXRRJPRPRW-GJZGRUSLSA-N 2 1 331.420 -0.185 20 30 EBEDMP COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001332566916 841673810 /nfs/dbraw/zinc/67/38/10/841673810.db2.gz RYLUGZKXJXTMAF-NVXWUHKLSA-N 2 1 348.447 -0.187 20 30 EBEDMP COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001332566914 841674053 /nfs/dbraw/zinc/67/40/53/841674053.db2.gz RYLUGZKXJXTMAF-DOTOQJQBSA-N 2 1 348.447 -0.187 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC#CCOC)CC1 ZINC001332677537 841717068 /nfs/dbraw/zinc/71/70/68/841717068.db2.gz STWQTFLRWVQZPV-SFHVURJKSA-N 2 1 349.475 -0.268 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C(C)(C)C ZINC001332899315 841760505 /nfs/dbraw/zinc/76/05/05/841760505.db2.gz PBVRYRHFOVBAET-ZDUSSCGKSA-N 2 1 334.424 -0.048 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC001482435487 1126149499 /nfs/dbraw/zinc/14/94/99/1126149499.db2.gz FXCUWYOQVTZVFZ-JSGCOSHPSA-N 2 1 332.408 -0.342 20 30 EBEDMP C[N@@H+](CC(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]2C1)C1CCC1 ZINC001691557689 1126321418 /nfs/dbraw/zinc/32/14/18/1126321418.db2.gz CRQKPYYOWLYMIV-CABCVRRESA-N 2 1 347.463 -0.109 20 30 EBEDMP C[N@H+](CC(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)CC[C@@H]2C1)C1CCC1 ZINC001691557689 1126321420 /nfs/dbraw/zinc/32/14/20/1126321420.db2.gz CRQKPYYOWLYMIV-CABCVRRESA-N 2 1 347.463 -0.109 20 30 EBEDMP C[N@@H+](CC(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)CC[C@@H]2C1)C1CCC1 ZINC001691557689 1126321422 /nfs/dbraw/zinc/32/14/22/1126321422.db2.gz CRQKPYYOWLYMIV-CABCVRRESA-N 2 1 347.463 -0.109 20 30 EBEDMP C[NH+](CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]2C1)C1CCC1 ZINC001691557689 1126321424 /nfs/dbraw/zinc/32/14/24/1126321424.db2.gz CRQKPYYOWLYMIV-CABCVRRESA-N 2 1 347.463 -0.109 20 30 EBEDMP COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001486294539 1127102889 /nfs/dbraw/zinc/10/28/89/1127102889.db2.gz IPJNPWAVQONGNG-WBVHZDCISA-N 2 1 348.447 -0.187 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](OCC)C1 ZINC001489011272 1128897936 /nfs/dbraw/zinc/89/79/36/1128897936.db2.gz RZVYZOSJZFDROT-QLFBSQMISA-N 2 1 336.436 -0.978 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](OCC)C1 ZINC001489011272 1128897940 /nfs/dbraw/zinc/89/79/40/1128897940.db2.gz RZVYZOSJZFDROT-QLFBSQMISA-N 2 1 336.436 -0.978 20 30 EBEDMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001491338304 1130405059 /nfs/dbraw/zinc/40/50/59/1130405059.db2.gz ZEFAHAXAQWJEJS-MAKQCAJESA-N 2 1 333.436 -0.455 20 30 EBEDMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001491338304 1130405060 /nfs/dbraw/zinc/40/50/60/1130405060.db2.gz ZEFAHAXAQWJEJS-MAKQCAJESA-N 2 1 333.436 -0.455 20 30 EBEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[C@@](O)(CC#N)C2)C1 ZINC000592148684 377798143 /nfs/dbraw/zinc/79/81/43/377798143.db2.gz ZCRXQYKSKBBYQX-RDJZCZTQSA-N 2 1 338.452 -0.190 20 30 EBEDMP CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[C@@](O)(CC#N)C2)C1 ZINC000592148684 377798150 /nfs/dbraw/zinc/79/81/50/377798150.db2.gz ZCRXQYKSKBBYQX-RDJZCZTQSA-N 2 1 338.452 -0.190 20 30 EBEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000491743666 379622308 /nfs/dbraw/zinc/62/23/08/379622308.db2.gz HTQBIZJNNVKTIL-HNNXBMFYSA-N 2 1 335.452 -0.453 20 30 EBEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000491743666 379622316 /nfs/dbraw/zinc/62/23/16/379622316.db2.gz HTQBIZJNNVKTIL-HNNXBMFYSA-N 2 1 335.452 -0.453 20 30 EBEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)CCOC)CC1 ZINC000358563131 380235857 /nfs/dbraw/zinc/23/58/57/380235857.db2.gz QFZRIIHJGSBZEP-UHFFFAOYSA-N 2 1 340.468 -0.163 20 30 EBEDMP C[NH+]=C(NCCC(=O)N1CC[NH+](C)CC1)N1CC[C@@]2(CCOC2)C1 ZINC000179196135 649979695 /nfs/dbraw/zinc/97/96/95/649979695.db2.gz SQKZHKRNXVKZNT-QGZVFWFLSA-N 2 1 337.468 -0.162 20 30 EBEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCO[C@H](COC)C1 ZINC000261778102 649984872 /nfs/dbraw/zinc/98/48/72/649984872.db2.gz FGYQGTZPHNNXIP-CABCVRRESA-N 2 1 327.473 -0.455 20 30 EBEDMP C[NH+]=C(NC[C@H](C)[NH+](C)C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261816553 649985532 /nfs/dbraw/zinc/98/55/32/649985532.db2.gz UBFGQWALNFNOME-MEDUHNTESA-N 2 1 338.456 -0.178 20 30 EBEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000304743161 649993721 /nfs/dbraw/zinc/99/37/21/649993721.db2.gz DAOLFLOKBBBAOV-OAHLLOKOSA-N 2 1 327.473 -0.548 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000938170034 652115165 /nfs/dbraw/zinc/11/51/65/652115165.db2.gz BMXHLRHGJHZOGA-JYJNAYRXSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000938170034 652115167 /nfs/dbraw/zinc/11/51/67/652115167.db2.gz BMXHLRHGJHZOGA-JYJNAYRXSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000938170034 652115170 /nfs/dbraw/zinc/11/51/70/652115170.db2.gz BMXHLRHGJHZOGA-JYJNAYRXSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000938170034 652115181 /nfs/dbraw/zinc/11/51/81/652115181.db2.gz BMXHLRHGJHZOGA-JYJNAYRXSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3nnnn3C)C2)CC1 ZINC000939813363 653052935 /nfs/dbraw/zinc/05/29/35/653052935.db2.gz ZUJKDKXAKSHOBM-HIFRSBDPSA-N 2 1 345.451 -0.508 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)C[C@H]2C)CC1 ZINC000945183649 653360116 /nfs/dbraw/zinc/36/01/16/653360116.db2.gz RMSPLQYSFCFAIJ-ZBFHGGJFSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000954631621 719803186 /nfs/dbraw/zinc/80/31/86/719803186.db2.gz HSQLXHKUQWCJSZ-HOCLYGCPSA-N 2 1 332.448 -0.295 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000954631621 719803195 /nfs/dbraw/zinc/80/31/95/719803195.db2.gz HSQLXHKUQWCJSZ-HOCLYGCPSA-N 2 1 332.448 -0.295 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000954631621 719803203 /nfs/dbraw/zinc/80/32/03/719803203.db2.gz HSQLXHKUQWCJSZ-HOCLYGCPSA-N 2 1 332.448 -0.295 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000954631621 719803210 /nfs/dbraw/zinc/80/32/10/719803210.db2.gz HSQLXHKUQWCJSZ-HOCLYGCPSA-N 2 1 332.448 -0.295 20 30 EBEDMP C#CC[N@H+]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](O)C1 ZINC000958247535 722333229 /nfs/dbraw/zinc/33/32/29/722333229.db2.gz AKDSKKVYEGBGGQ-CZUORRHYSA-N 2 1 325.372 -0.077 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001018985738 728763928 /nfs/dbraw/zinc/76/39/28/728763928.db2.gz BZUCAXRZGIDAHS-JYJNAYRXSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001018985738 728763930 /nfs/dbraw/zinc/76/39/30/728763930.db2.gz BZUCAXRZGIDAHS-JYJNAYRXSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(=O)NC)C[C@H]32)CC1 ZINC000962777487 723322328 /nfs/dbraw/zinc/32/23/28/723322328.db2.gz ORIKHMZIOUFDDX-ARLBYUKCSA-N 2 1 332.448 -0.488 20 30 EBEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2ccnc2)C1=O ZINC000963022765 723366436 /nfs/dbraw/zinc/36/64/36/723366436.db2.gz RRTZVGKTAWCLQY-KNCOVGOOSA-N 2 1 329.404 -0.284 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC000968954184 725134122 /nfs/dbraw/zinc/13/41/22/725134122.db2.gz BUCLWKPHCXITQN-PMPSAXMXSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC000968954184 725134124 /nfs/dbraw/zinc/13/41/24/725134124.db2.gz BUCLWKPHCXITQN-PMPSAXMXSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC000993855348 725954254 /nfs/dbraw/zinc/95/42/54/725954254.db2.gz OPFPQYJYSFNHRI-RHSMWYFYSA-N 2 1 346.475 -0.144 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000994754920 726074186 /nfs/dbraw/zinc/07/41/86/726074186.db2.gz OFKJTOLPZHGBIQ-HOTGVXAUSA-N 2 1 332.448 -0.249 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000994754920 726074187 /nfs/dbraw/zinc/07/41/87/726074187.db2.gz OFKJTOLPZHGBIQ-HOTGVXAUSA-N 2 1 332.448 -0.249 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000996444095 726394830 /nfs/dbraw/zinc/39/48/30/726394830.db2.gz RHLWXTBOFXSNAF-ZBFHGGJFSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000996444095 726394833 /nfs/dbraw/zinc/39/48/33/726394833.db2.gz RHLWXTBOFXSNAF-ZBFHGGJFSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000996444095 726394836 /nfs/dbraw/zinc/39/48/36/726394836.db2.gz RHLWXTBOFXSNAF-ZBFHGGJFSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000996444095 726394838 /nfs/dbraw/zinc/39/48/38/726394838.db2.gz RHLWXTBOFXSNAF-ZBFHGGJFSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@H]2CCNC2=O)CC1 ZINC000997830967 726466951 /nfs/dbraw/zinc/46/69/51/726466951.db2.gz FHLWENUOBUFEGR-HOTGVXAUSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@H]2CCNC2=O)CC1 ZINC000997830967 726466952 /nfs/dbraw/zinc/46/69/52/726466952.db2.gz FHLWENUOBUFEGR-HOTGVXAUSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC000999903484 726540731 /nfs/dbraw/zinc/54/07/31/726540731.db2.gz MCEBNHAMUMLPRR-YOEHRIQHSA-N 2 1 346.475 -0.144 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCn2cncn2)CC1 ZINC001003054926 726660472 /nfs/dbraw/zinc/66/04/72/726660472.db2.gz CPCCXCUMFXRJBM-INIZCTEOSA-N 2 1 330.436 -0.044 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCn2cncn2)CC1 ZINC001003054926 726660473 /nfs/dbraw/zinc/66/04/73/726660473.db2.gz CPCCXCUMFXRJBM-INIZCTEOSA-N 2 1 330.436 -0.044 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCCNC3=O)C2)CC1 ZINC001016338243 728458901 /nfs/dbraw/zinc/45/89/01/728458901.db2.gz XSKUXFIHGRHXRX-CVEARBPZSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)CC1 ZINC001016338243 728458902 /nfs/dbraw/zinc/45/89/02/728458902.db2.gz XSKUXFIHGRHXRX-CVEARBPZSA-N 2 1 332.448 -0.199 20 30 EBEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1=O ZINC001020045912 729061969 /nfs/dbraw/zinc/06/19/69/729061969.db2.gz PHFUSCKFEPAHKH-ZQDZILKHSA-N 2 1 336.436 -0.659 20 30 EBEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC001020045912 729061972 /nfs/dbraw/zinc/06/19/72/729061972.db2.gz PHFUSCKFEPAHKH-ZQDZILKHSA-N 2 1 336.436 -0.659 20 30 EBEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1=O ZINC001020045909 729062310 /nfs/dbraw/zinc/06/23/10/729062310.db2.gz PHFUSCKFEPAHKH-AJNGGQMLSA-N 2 1 336.436 -0.659 20 30 EBEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC001020045909 729062312 /nfs/dbraw/zinc/06/23/12/729062312.db2.gz PHFUSCKFEPAHKH-AJNGGQMLSA-N 2 1 336.436 -0.659 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001020250864 729114747 /nfs/dbraw/zinc/11/47/47/729114747.db2.gz VDXVUDRNZSEIOZ-SYQHCUMBSA-N 2 1 332.404 -0.874 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001020250864 729114749 /nfs/dbraw/zinc/11/47/49/729114749.db2.gz VDXVUDRNZSEIOZ-SYQHCUMBSA-N 2 1 332.404 -0.874 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnn(C)n3)C2)CC1 ZINC001021090461 729281894 /nfs/dbraw/zinc/28/18/94/729281894.db2.gz WIDWPUTYTPYOIN-SHTZXODSSA-N 2 1 330.436 -0.103 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001031742350 730760667 /nfs/dbraw/zinc/76/06/67/730760667.db2.gz BRNNGWSSJHHTDY-IRXDYDNUSA-N 2 1 345.447 -0.610 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001031742350 730760670 /nfs/dbraw/zinc/76/06/70/730760670.db2.gz BRNNGWSSJHHTDY-IRXDYDNUSA-N 2 1 345.447 -0.610 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001034963272 731169331 /nfs/dbraw/zinc/16/93/31/731169331.db2.gz VFPWXKDISDOKBN-ILXRZTDVSA-N 2 1 346.431 -0.530 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001034963272 731169332 /nfs/dbraw/zinc/16/93/32/731169332.db2.gz VFPWXKDISDOKBN-ILXRZTDVSA-N 2 1 346.431 -0.530 20 30 EBEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC001046070751 733845135 /nfs/dbraw/zinc/84/51/35/733845135.db2.gz BHRCNQSNSPBCMC-KRWDZBQOSA-N 2 1 334.464 -0.440 20 30 EBEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC001046070751 733845137 /nfs/dbraw/zinc/84/51/37/733845137.db2.gz BHRCNQSNSPBCMC-KRWDZBQOSA-N 2 1 334.464 -0.440 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001054296208 736187603 /nfs/dbraw/zinc/18/76/03/736187603.db2.gz YMFCRSHMBFADKA-OAGGEKHMSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001054296208 736187605 /nfs/dbraw/zinc/18/76/05/736187605.db2.gz YMFCRSHMBFADKA-OAGGEKHMSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076018 740685385 /nfs/dbraw/zinc/68/53/85/740685385.db2.gz GPSGDTVTLCHEND-XHSDSOJGSA-N 2 1 330.436 -0.015 20 30 EBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076018 740685387 /nfs/dbraw/zinc/68/53/87/740685387.db2.gz GPSGDTVTLCHEND-XHSDSOJGSA-N 2 1 330.436 -0.015 20 30 EBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076018 740685389 /nfs/dbraw/zinc/68/53/89/740685389.db2.gz GPSGDTVTLCHEND-XHSDSOJGSA-N 2 1 330.436 -0.015 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+]([C@H](C)C(N)=O)C3)CC1 ZINC001073455456 741617154 /nfs/dbraw/zinc/61/71/54/741617154.db2.gz ILAAZLKLPKUNIK-CQSZACIVSA-N 2 1 332.448 -0.260 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)CC1 ZINC001078227071 743545979 /nfs/dbraw/zinc/54/59/79/743545979.db2.gz HQQXEJYFKFUKQD-QZTJIDSGSA-N 2 1 349.475 -0.081 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)[C@@H]3CCNC3=O)C2)CC1 ZINC000980477704 805909852 /nfs/dbraw/zinc/90/98/52/805909852.db2.gz JGDNXUSTLQYVRA-JKSUJKDBSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001215551673 810336586 /nfs/dbraw/zinc/33/65/86/810336586.db2.gz WKOITEGFUWKCJC-HUUCEWRRSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CC(N)=O)C2)CC1 ZINC001036902387 811308257 /nfs/dbraw/zinc/30/82/57/811308257.db2.gz JXNZHSLLYWWJLN-CVEARBPZSA-N 2 1 332.448 -0.260 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCCOC)C[C@@H]2O)CC1 ZINC001221066212 811360386 /nfs/dbraw/zinc/36/03/86/811360386.db2.gz LGQXLNCSXNRTGX-SJORKVTESA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221776914 811533140 /nfs/dbraw/zinc/53/31/40/811533140.db2.gz KCAFSNMDYXDYEH-BZUAXINKSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221776914 811533143 /nfs/dbraw/zinc/53/31/43/811533143.db2.gz KCAFSNMDYXDYEH-BZUAXINKSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787085 811534931 /nfs/dbraw/zinc/53/49/31/811534931.db2.gz JBZKFYVVYFJHKP-DJIMGWMZSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787085 811534932 /nfs/dbraw/zinc/53/49/32/811534932.db2.gz JBZKFYVVYFJHKP-DJIMGWMZSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001227454889 811923862 /nfs/dbraw/zinc/92/38/62/811923862.db2.gz XEOWVERRPRMVBN-CVEARBPZSA-N 2 1 348.447 -0.820 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001227454889 811923869 /nfs/dbraw/zinc/92/38/69/811923869.db2.gz XEOWVERRPRMVBN-CVEARBPZSA-N 2 1 348.447 -0.820 20 30 EBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001081686185 813401782 /nfs/dbraw/zinc/40/17/82/813401782.db2.gz JQJRBNSFQRFNBM-HZPDHXFCSA-N 2 1 333.436 -0.103 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](C[C@@H](O)COC)C2)CC1 ZINC001266252156 813491184 /nfs/dbraw/zinc/49/11/84/813491184.db2.gz NYTZUWNZQCKSIK-DLBZAZTESA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CC[N@H+](CC(=O)NC)C2)CC1 ZINC001267605551 813949389 /nfs/dbraw/zinc/94/93/89/813949389.db2.gz XBSCMLVXWCANES-OAHLLOKOSA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001267823059 814048911 /nfs/dbraw/zinc/04/89/11/814048911.db2.gz XRFBVMHWMGTJQX-IHRRRGAJSA-N 2 1 349.435 -0.752 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001267823059 814048917 /nfs/dbraw/zinc/04/89/17/814048917.db2.gz XRFBVMHWMGTJQX-IHRRRGAJSA-N 2 1 349.435 -0.752 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001268399688 814232942 /nfs/dbraw/zinc/23/29/42/814232942.db2.gz JEYFQSTVVLFILA-DZGCQCFKSA-N 2 1 345.447 -0.012 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCN1CCNC1=O ZINC001268459643 814250489 /nfs/dbraw/zinc/25/04/89/814250489.db2.gz YPASULAFQDFJFY-HNNXBMFYSA-N 2 1 335.452 -0.453 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCN1CCNC1=O ZINC001268459643 814250497 /nfs/dbraw/zinc/25/04/97/814250497.db2.gz YPASULAFQDFJFY-HNNXBMFYSA-N 2 1 335.452 -0.453 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CC#CCOC)C2)CC[N@H+]1C ZINC001271145567 816002206 /nfs/dbraw/zinc/00/22/06/816002206.db2.gz NDHSVLPXERIVQT-JZXOWHBKSA-N 2 1 337.464 -0.081 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC(=O)NCC#N)C1 ZINC001272222766 816358399 /nfs/dbraw/zinc/35/83/99/816358399.db2.gz AEONRORUNRWVDX-LSDHHAIUSA-N 2 1 344.419 -0.246 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC(=O)NCC#N)C1 ZINC001272222766 816358407 /nfs/dbraw/zinc/35/84/07/816358407.db2.gz AEONRORUNRWVDX-LSDHHAIUSA-N 2 1 344.419 -0.246 20 30 EBEDMP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NCC#N)CC3)C1 ZINC001272825861 816531344 /nfs/dbraw/zinc/53/13/44/816531344.db2.gz KJXFKFLLQAHLNH-AWEZNQCLSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NCC#N)CC3)C1 ZINC001272825861 816531348 /nfs/dbraw/zinc/53/13/48/816531348.db2.gz KJXFKFLLQAHLNH-AWEZNQCLSA-N 2 1 333.436 -0.498 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)C(N)=O)CC[C@@H]3C2)CC1 ZINC001088211950 816649776 /nfs/dbraw/zinc/64/97/76/816649776.db2.gz HVGVYDNZRRLNFH-OIISXLGYSA-N 2 1 346.475 -0.014 20 30 EBEDMP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001273576664 816701314 /nfs/dbraw/zinc/70/13/14/816701314.db2.gz TVARQMTWQSXQOJ-AWEZNQCLSA-N 2 1 346.435 -0.168 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)C[C@H](O)COC)CC1 ZINC001276011138 817338710 /nfs/dbraw/zinc/33/87/10/817338710.db2.gz MADJNDGERNDWGI-HOCLYGCPSA-N 2 1 325.453 -0.225 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CC(=O)NCC#N)CC1 ZINC001276011724 817339513 /nfs/dbraw/zinc/33/95/13/817339513.db2.gz NONRVCYQPOLECO-AWEZNQCLSA-N 2 1 333.436 -0.592 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NCC#N)CC1 ZINC001276011724 817339522 /nfs/dbraw/zinc/33/95/22/817339522.db2.gz NONRVCYQPOLECO-AWEZNQCLSA-N 2 1 333.436 -0.592 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ccnc3)C[C@H]2C1 ZINC001276839572 817481694 /nfs/dbraw/zinc/48/16/94/817481694.db2.gz KLWBMFUHMIVUAT-HRCADAONSA-N 2 1 343.431 -0.151 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NCC=C)C1 ZINC001276995661 817507579 /nfs/dbraw/zinc/50/75/79/817507579.db2.gz LUUDTWCIGBMTTK-JYJNAYRXSA-N 2 1 332.448 -0.129 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NCC=C)C1 ZINC001276995661 817507586 /nfs/dbraw/zinc/50/75/86/817507586.db2.gz LUUDTWCIGBMTTK-JYJNAYRXSA-N 2 1 332.448 -0.129 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001277157711 817525377 /nfs/dbraw/zinc/52/53/77/817525377.db2.gz INFDEGZSYFGRTE-AWEZNQCLSA-N 2 1 343.431 -0.258 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001277252842 817538560 /nfs/dbraw/zinc/53/85/60/817538560.db2.gz QBJNGHKFEABTFX-ZIAGYGMSSA-N 2 1 336.436 -0.917 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001277252842 817538566 /nfs/dbraw/zinc/53/85/66/817538566.db2.gz QBJNGHKFEABTFX-ZIAGYGMSSA-N 2 1 336.436 -0.917 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001278004379 817673251 /nfs/dbraw/zinc/67/32/51/817673251.db2.gz AXNWAWYCAZZYRG-GJZGRUSLSA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001278004379 817673254 /nfs/dbraw/zinc/67/32/54/817673254.db2.gz AXNWAWYCAZZYRG-GJZGRUSLSA-N 2 1 336.436 -0.963 20 30 EBEDMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CC(=O)NCC#N)C(C)(C)C2)CC[N@H+]1C ZINC001278644527 817787893 /nfs/dbraw/zinc/78/78/93/817787893.db2.gz HBBJUDOHBMOTCO-MGPQQGTHSA-N 2 1 335.452 -0.207 20 30 EBEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001278728670 817799737 /nfs/dbraw/zinc/79/97/37/817799737.db2.gz RSEICNXXLOXJEP-CQSZACIVSA-N 2 1 338.452 -0.505 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001278820835 817850451 /nfs/dbraw/zinc/85/04/51/817850451.db2.gz GKJQEEWFLNYYEL-RHSMWYFYSA-N 2 1 338.452 -0.981 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@](O)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001278820835 817850458 /nfs/dbraw/zinc/85/04/58/817850458.db2.gz GKJQEEWFLNYYEL-RHSMWYFYSA-N 2 1 338.452 -0.981 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)CCC)C1 ZINC001278820835 817850468 /nfs/dbraw/zinc/85/04/68/817850468.db2.gz GKJQEEWFLNYYEL-RHSMWYFYSA-N 2 1 338.452 -0.981 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)CCC)C1 ZINC001278820835 817850475 /nfs/dbraw/zinc/85/04/75/817850475.db2.gz GKJQEEWFLNYYEL-RHSMWYFYSA-N 2 1 338.452 -0.981 20 30 EBEDMP COCC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001278882611 817882530 /nfs/dbraw/zinc/88/25/30/817882530.db2.gz KOWQKOIYLDNEPQ-JKSUJKDBSA-N 2 1 325.453 -0.271 20 30 EBEDMP COCC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001278882611 817882534 /nfs/dbraw/zinc/88/25/34/817882534.db2.gz KOWQKOIYLDNEPQ-JKSUJKDBSA-N 2 1 325.453 -0.271 20 30 EBEDMP COCC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001278882611 817882539 /nfs/dbraw/zinc/88/25/39/817882539.db2.gz KOWQKOIYLDNEPQ-JKSUJKDBSA-N 2 1 325.453 -0.271 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC001279372618 817922279 /nfs/dbraw/zinc/92/22/79/817922279.db2.gz YYAMWXVSQZKYGO-XHSDSOJGSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001279372618 817922282 /nfs/dbraw/zinc/92/22/82/817922282.db2.gz YYAMWXVSQZKYGO-XHSDSOJGSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001279372618 817922286 /nfs/dbraw/zinc/92/22/86/817922286.db2.gz YYAMWXVSQZKYGO-XHSDSOJGSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC001282497391 818441871 /nfs/dbraw/zinc/44/18/71/818441871.db2.gz NOTQEJGQQRVVDP-HOCLYGCPSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2=O)C1 ZINC001094808157 818498739 /nfs/dbraw/zinc/49/87/39/818498739.db2.gz IENLZYBCPYFSOS-GJZGRUSLSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC001094808157 818498745 /nfs/dbraw/zinc/49/87/45/818498745.db2.gz IENLZYBCPYFSOS-GJZGRUSLSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001282958560 818549136 /nfs/dbraw/zinc/54/91/36/818549136.db2.gz PHGCNCGWXPRDPK-ARFHVFGLSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001283765695 818938708 /nfs/dbraw/zinc/93/87/08/818938708.db2.gz VQPSGOGRSRRPJQ-HOTGVXAUSA-N 2 1 346.431 -0.950 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001283765695 818938716 /nfs/dbraw/zinc/93/87/16/818938716.db2.gz VQPSGOGRSRRPJQ-HOTGVXAUSA-N 2 1 346.431 -0.950 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](CCO)C[C@@H](C)O)CC1 ZINC001098396151 819168715 /nfs/dbraw/zinc/16/87/15/819168715.db2.gz SHAIZRZNQQWZME-WBVHZDCISA-N 2 1 337.464 -0.250 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](CCO)C[C@@H](C)O)CC1 ZINC001098396151 819168718 /nfs/dbraw/zinc/16/87/18/819168718.db2.gz SHAIZRZNQQWZME-WBVHZDCISA-N 2 1 337.464 -0.250 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CCO)C[C@@H](C)O)CC1 ZINC001098396151 819168721 /nfs/dbraw/zinc/16/87/21/819168721.db2.gz SHAIZRZNQQWZME-WBVHZDCISA-N 2 1 337.464 -0.250 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CCO)C[C@@H](C)O)CC1 ZINC001098396151 819168726 /nfs/dbraw/zinc/16/87/26/819168726.db2.gz SHAIZRZNQQWZME-WBVHZDCISA-N 2 1 337.464 -0.250 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCNC2=O)CC1 ZINC001098462848 819199803 /nfs/dbraw/zinc/19/98/03/819199803.db2.gz QHAJVJLMLJUICS-WCXIOVBPSA-N 2 1 344.459 -0.058 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCNC2=O)CC1 ZINC001098462848 819199807 /nfs/dbraw/zinc/19/98/07/819199807.db2.gz QHAJVJLMLJUICS-WCXIOVBPSA-N 2 1 344.459 -0.058 20 30 EBEDMP C=CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098466775 819204736 /nfs/dbraw/zinc/20/47/36/819204736.db2.gz XZDYLRVTAOPMHR-UHFFFAOYSA-N 2 1 340.468 -0.474 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001285371764 819558655 /nfs/dbraw/zinc/55/86/55/819558655.db2.gz NYUOSEJEZIMIIR-HOTGVXAUSA-N 2 1 334.464 -0.048 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001285371764 819558659 /nfs/dbraw/zinc/55/86/59/819558659.db2.gz NYUOSEJEZIMIIR-HOTGVXAUSA-N 2 1 334.464 -0.048 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001285371764 819558663 /nfs/dbraw/zinc/55/86/63/819558663.db2.gz NYUOSEJEZIMIIR-HOTGVXAUSA-N 2 1 334.464 -0.048 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001285371764 819558666 /nfs/dbraw/zinc/55/86/66/819558666.db2.gz NYUOSEJEZIMIIR-HOTGVXAUSA-N 2 1 334.464 -0.048 20 30 EBEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](O)C1 ZINC001099892629 819845520 /nfs/dbraw/zinc/84/55/20/819845520.db2.gz MNNIHPMTDCCLDJ-JKSUJKDBSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001099893093 819847785 /nfs/dbraw/zinc/84/77/85/819847785.db2.gz UMEUKVMEKKENIL-CVEARBPZSA-N 2 1 337.464 -0.081 20 30 EBEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001099903209 819882778 /nfs/dbraw/zinc/88/27/78/819882778.db2.gz CCZCREPLZWENEA-CVEARBPZSA-N 2 1 335.448 -0.184 20 30 EBEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001099903209 819882787 /nfs/dbraw/zinc/88/27/87/819882787.db2.gz CCZCREPLZWENEA-CVEARBPZSA-N 2 1 335.448 -0.184 20 30 EBEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001100008509 820020747 /nfs/dbraw/zinc/02/07/47/820020747.db2.gz JKOMZUHBXZFXIS-CVEARBPZSA-N 2 1 337.464 -0.081 20 30 EBEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001100008509 820020757 /nfs/dbraw/zinc/02/07/57/820020757.db2.gz JKOMZUHBXZFXIS-CVEARBPZSA-N 2 1 337.464 -0.081 20 30 EBEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001100008509 820020766 /nfs/dbraw/zinc/02/07/66/820020766.db2.gz JKOMZUHBXZFXIS-CVEARBPZSA-N 2 1 337.464 -0.081 20 30 EBEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001100008509 820020776 /nfs/dbraw/zinc/02/07/76/820020776.db2.gz JKOMZUHBXZFXIS-CVEARBPZSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCOCC)C[C@H]2O)CC1 ZINC001100122001 820251781 /nfs/dbraw/zinc/25/17/81/820251781.db2.gz JYKAIBUFKFRWDW-IAGOWNOFSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102287017 821059829 /nfs/dbraw/zinc/05/98/29/821059829.db2.gz IWWAMWNTXPRWRN-HUUCEWRRSA-N 2 1 334.464 -0.238 20 30 EBEDMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102366939 821080209 /nfs/dbraw/zinc/08/02/09/821080209.db2.gz VVYBSWYZYPMOEX-RBSFLKMASA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C ZINC001102366939 821080217 /nfs/dbraw/zinc/08/02/17/821080217.db2.gz VVYBSWYZYPMOEX-RBSFLKMASA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C ZINC001102366939 821080226 /nfs/dbraw/zinc/08/02/26/821080226.db2.gz VVYBSWYZYPMOEX-RBSFLKMASA-N 2 1 335.452 -0.205 20 30 EBEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513214 821134329 /nfs/dbraw/zinc/13/43/29/821134329.db2.gz AJMDAEJMXVYONR-HZPDHXFCSA-N 2 1 325.453 -0.102 20 30 EBEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511486 821134823 /nfs/dbraw/zinc/13/48/23/821134823.db2.gz YYXCHRXORYBMHR-HUUCEWRRSA-N 2 1 340.468 -0.449 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514079 821135349 /nfs/dbraw/zinc/13/53/49/821135349.db2.gz LSHXYQMRIJDTRY-BZUAXINKSA-N 2 1 334.464 -0.238 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102514079 821135353 /nfs/dbraw/zinc/13/53/53/821135353.db2.gz LSHXYQMRIJDTRY-BZUAXINKSA-N 2 1 334.464 -0.238 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102514079 821135361 /nfs/dbraw/zinc/13/53/61/821135361.db2.gz LSHXYQMRIJDTRY-BZUAXINKSA-N 2 1 334.464 -0.238 20 30 EBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102782964 821210893 /nfs/dbraw/zinc/21/08/93/821210893.db2.gz RURUFOXROLCGKS-KFWWJZLASA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001102782964 821210903 /nfs/dbraw/zinc/21/09/03/821210903.db2.gz RURUFOXROLCGKS-KFWWJZLASA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001102782964 821210910 /nfs/dbraw/zinc/21/09/10/821210910.db2.gz RURUFOXROLCGKS-KFWWJZLASA-N 2 1 335.452 -0.205 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001105013361 821570335 /nfs/dbraw/zinc/57/03/35/821570335.db2.gz ITOYSDASKFOECI-UKRRQHHQSA-N 2 1 346.435 -0.095 20 30 EBEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001316615961 821816769 /nfs/dbraw/zinc/81/67/69/821816769.db2.gz JJPOWYCTODUJBL-ZNMIVQPWSA-N 2 1 335.452 -0.015 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001317081801 821997781 /nfs/dbraw/zinc/99/77/81/821997781.db2.gz GKAUVKNTOFZILW-IHRRRGAJSA-N 2 1 345.403 -0.053 20 30 EBEDMP C=CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001317292711 822069908 /nfs/dbraw/zinc/06/99/08/822069908.db2.gz WNWMRFHBNICROT-HUUCEWRRSA-N 2 1 338.452 -0.553 20 30 EBEDMP C=CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001317292711 822069914 /nfs/dbraw/zinc/06/99/14/822069914.db2.gz WNWMRFHBNICROT-HUUCEWRRSA-N 2 1 338.452 -0.553 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)Cn2ccnc2)C1 ZINC001317536305 822149798 /nfs/dbraw/zinc/14/97/98/822149798.db2.gz NCAJQTSKIWXZNX-CYBMUJFWSA-N 2 1 348.407 -0.667 20 30 EBEDMP C=CCNC(=O)NC(=O)CN1CC[C@H](CNC(=O)Cn2ccnc2)C1 ZINC001317536305 822149803 /nfs/dbraw/zinc/14/98/03/822149803.db2.gz NCAJQTSKIWXZNX-CYBMUJFWSA-N 2 1 348.407 -0.667 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC(=O)NCC#N)C2CC2)CC[N@@H+]1C ZINC001317552738 822154712 /nfs/dbraw/zinc/15/47/12/822154712.db2.gz MEJOFWVUKDGHEI-LSDHHAIUSA-N 2 1 335.452 -0.063 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC(=O)NCC#N)C2CC2)CC[N@H+]1C ZINC001317552738 822154713 /nfs/dbraw/zinc/15/47/13/822154713.db2.gz MEJOFWVUKDGHEI-LSDHHAIUSA-N 2 1 335.452 -0.063 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](CC(=O)NCC#N)C2CC2)CC[NH+]1C ZINC001317552738 822154714 /nfs/dbraw/zinc/15/47/14/822154714.db2.gz MEJOFWVUKDGHEI-LSDHHAIUSA-N 2 1 335.452 -0.063 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](CC(=O)NCC#N)C2CC2)CC[NH+]1C ZINC001317552738 822154715 /nfs/dbraw/zinc/15/47/15/822154715.db2.gz MEJOFWVUKDGHEI-LSDHHAIUSA-N 2 1 335.452 -0.063 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001317611587 822177363 /nfs/dbraw/zinc/17/73/63/822177363.db2.gz WWELSMHZRSAQNA-UHFFFAOYSA-N 2 1 336.396 -0.749 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106266323 822239175 /nfs/dbraw/zinc/23/91/75/822239175.db2.gz CLAXOMXWGZIIBQ-ZACQAIPSSA-N 2 1 337.464 -0.223 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106266323 822239177 /nfs/dbraw/zinc/23/91/77/822239177.db2.gz CLAXOMXWGZIIBQ-ZACQAIPSSA-N 2 1 337.464 -0.223 20 30 EBEDMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106322389 822247184 /nfs/dbraw/zinc/24/71/84/822247184.db2.gz NCXAIGDVTLRNIT-RBSFLKMASA-N 2 1 335.452 -0.205 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001129770889 828667128 /nfs/dbraw/zinc/66/71/28/828667128.db2.gz MUTQNIHBAPLVLO-GJZGRUSLSA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001129770889 828667131 /nfs/dbraw/zinc/66/71/31/828667131.db2.gz MUTQNIHBAPLVLO-GJZGRUSLSA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCc1ccco1 ZINC001129770799 828667199 /nfs/dbraw/zinc/66/71/99/828667199.db2.gz LCDSTGMHWRWYPX-HNNXBMFYSA-N 2 1 332.404 -0.301 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCc1ccco1 ZINC001129770799 828667200 /nfs/dbraw/zinc/66/72/00/828667200.db2.gz LCDSTGMHWRWYPX-HNNXBMFYSA-N 2 1 332.404 -0.301 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001129771086 828667287 /nfs/dbraw/zinc/66/72/87/828667287.db2.gz QMHTXDPGMGANJS-AWEZNQCLSA-N 2 1 347.467 -0.226 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001129771086 828667288 /nfs/dbraw/zinc/66/72/88/828667288.db2.gz QMHTXDPGMGANJS-AWEZNQCLSA-N 2 1 347.467 -0.226 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001129770844 828667407 /nfs/dbraw/zinc/66/74/07/828667407.db2.gz LOOKZZNXJSEVRF-GJZGRUSLSA-N 2 1 336.436 -0.915 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001129770844 828667411 /nfs/dbraw/zinc/66/74/11/828667411.db2.gz LOOKZZNXJSEVRF-GJZGRUSLSA-N 2 1 336.436 -0.915 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001129770888 828667434 /nfs/dbraw/zinc/66/74/34/828667434.db2.gz MUTQNIHBAPLVLO-CABCVRRESA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001129770888 828667439 /nfs/dbraw/zinc/66/74/39/828667439.db2.gz MUTQNIHBAPLVLO-CABCVRRESA-N 2 1 336.436 -0.963 20 30 EBEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123692 828736563 /nfs/dbraw/zinc/73/65/63/828736563.db2.gz YTFDNWBMSJRDMX-XHSDSOJGSA-N 2 1 346.435 -0.779 20 30 EBEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123299 828736626 /nfs/dbraw/zinc/73/66/26/828736626.db2.gz MUSWUZPBQPOTFJ-XHSDSOJGSA-N 2 1 348.451 -0.226 20 30 EBEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001130132709 828737780 /nfs/dbraw/zinc/73/77/80/828737780.db2.gz LPWQHESXDMINBM-PMPSAXMXSA-N 2 1 348.451 -0.084 20 30 EBEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001130132709 828737785 /nfs/dbraw/zinc/73/77/85/828737785.db2.gz LPWQHESXDMINBM-PMPSAXMXSA-N 2 1 348.451 -0.084 20 30 EBEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184487 828749688 /nfs/dbraw/zinc/74/96/88/828749688.db2.gz SFHWLBWKOZAHPF-HUUCEWRRSA-N 2 1 338.452 -0.388 20 30 EBEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184487 828749690 /nfs/dbraw/zinc/74/96/90/828749690.db2.gz SFHWLBWKOZAHPF-HUUCEWRRSA-N 2 1 338.452 -0.388 20 30 EBEDMP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NCC#N)C3)CC1 ZINC001111856049 825328845 /nfs/dbraw/zinc/32/88/45/825328845.db2.gz ZFPQLWXYRDILPC-KSSFIOAISA-N 2 1 347.463 -0.061 20 30 EBEDMP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NCC#N)C3)CC1 ZINC001111856049 825328853 /nfs/dbraw/zinc/32/88/53/825328853.db2.gz ZFPQLWXYRDILPC-KSSFIOAISA-N 2 1 347.463 -0.061 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114417204 826240364 /nfs/dbraw/zinc/24/03/64/826240364.db2.gz VMUFQNBJAHAELD-MKVSYHDVSA-N 2 1 332.448 -0.345 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C1CCC1 ZINC001114417204 826240369 /nfs/dbraw/zinc/24/03/69/826240369.db2.gz VMUFQNBJAHAELD-MKVSYHDVSA-N 2 1 332.448 -0.345 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C1CCC1 ZINC001114417204 826240375 /nfs/dbraw/zinc/24/03/75/826240375.db2.gz VMUFQNBJAHAELD-MKVSYHDVSA-N 2 1 332.448 -0.345 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001114841313 826353969 /nfs/dbraw/zinc/35/39/69/826353969.db2.gz TUUKAWYFFIXAGD-LJIGWXMPSA-N 2 1 346.475 -0.097 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001114841313 826353974 /nfs/dbraw/zinc/35/39/74/826353974.db2.gz TUUKAWYFFIXAGD-LJIGWXMPSA-N 2 1 346.475 -0.097 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC001115013728 826400122 /nfs/dbraw/zinc/40/01/22/826400122.db2.gz RYUGQWFRZSENHW-LISAXSMJSA-N 2 1 346.475 -0.097 20 30 EBEDMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)CC1 ZINC001115057808 826411786 /nfs/dbraw/zinc/41/17/86/826411786.db2.gz KBFGPUMNUCTCPP-QLPKVWCKSA-N 2 1 347.463 -0.207 20 30 EBEDMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)CC1 ZINC001115057808 826411787 /nfs/dbraw/zinc/41/17/87/826411787.db2.gz KBFGPUMNUCTCPP-QLPKVWCKSA-N 2 1 347.463 -0.207 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241500 826466799 /nfs/dbraw/zinc/46/67/99/826466799.db2.gz IYNMZNCAJVTUDA-VIKVFOODSA-N 2 1 349.435 -0.860 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241500 826466804 /nfs/dbraw/zinc/46/68/04/826466804.db2.gz IYNMZNCAJVTUDA-VIKVFOODSA-N 2 1 349.435 -0.860 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001115300401 826502466 /nfs/dbraw/zinc/50/24/66/826502466.db2.gz RDUQEIALEOXLAE-QSJFSLAZSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001115300401 826502470 /nfs/dbraw/zinc/50/24/70/826502470.db2.gz RDUQEIALEOXLAE-QSJFSLAZSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CC ZINC001115300401 826502472 /nfs/dbraw/zinc/50/24/72/826502472.db2.gz RDUQEIALEOXLAE-QSJFSLAZSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CC ZINC001115300401 826502475 /nfs/dbraw/zinc/50/24/75/826502475.db2.gz RDUQEIALEOXLAE-QSJFSLAZSA-N 2 1 332.448 -0.343 20 30 EBEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NCC#N)C2 ZINC001121772862 827446910 /nfs/dbraw/zinc/44/69/10/827446910.db2.gz IZUXCNZCMRJDFY-WJHSJWBRSA-N 2 1 347.463 -0.159 20 30 EBEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NCC#N)C2 ZINC001121772863 827447141 /nfs/dbraw/zinc/44/71/41/827447141.db2.gz IZUXCNZCMRJDFY-WWUZRQTISA-N 2 1 347.463 -0.159 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131387459 829125342 /nfs/dbraw/zinc/12/53/42/829125342.db2.gz QAUUPHYHFMVAFL-GFCCVEGCSA-N 2 1 336.396 -0.702 20 30 EBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1=O ZINC001131520423 829152846 /nfs/dbraw/zinc/15/28/46/829152846.db2.gz XSIRAUCOWYXCDU-NWPKHEMWSA-N 2 1 348.447 -0.658 20 30 EBEDMP C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132426131 829454625 /nfs/dbraw/zinc/45/46/25/829454625.db2.gz SECYWOATBLIEFJ-LSDHHAIUSA-N 2 1 340.468 -0.164 20 30 EBEDMP C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132426131 829454627 /nfs/dbraw/zinc/45/46/27/829454627.db2.gz SECYWOATBLIEFJ-LSDHHAIUSA-N 2 1 340.468 -0.164 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133899585 829696051 /nfs/dbraw/zinc/69/60/51/829696051.db2.gz NKORSQHWUJLYLW-UHFFFAOYSA-N 2 1 341.456 -0.318 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134126291 829729235 /nfs/dbraw/zinc/72/92/35/829729235.db2.gz JNUUEXHEDDJFQS-SJORKVTESA-N 2 1 342.443 -0.213 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134804858 829849465 /nfs/dbraw/zinc/84/94/65/829849465.db2.gz LZSYSQNRAHLYMK-QWHCGFSZSA-N 2 1 349.435 -0.028 20 30 EBEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135350402 829953383 /nfs/dbraw/zinc/95/33/83/829953383.db2.gz VXTJTARXGQZJGC-UHFFFAOYSA-N 2 1 340.468 -0.161 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)CCC ZINC001148655319 830524986 /nfs/dbraw/zinc/52/49/86/830524986.db2.gz MDUMIJXIEGHAPJ-GFCCVEGCSA-N 2 1 327.429 -0.566 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001148754995 830537465 /nfs/dbraw/zinc/53/74/65/830537465.db2.gz MGEIUIWYYFCJFU-OAHLLOKOSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150241226 830844984 /nfs/dbraw/zinc/84/49/84/830844984.db2.gz NJJQTIKTDKRPJR-CABCVRRESA-N 2 1 338.452 -0.717 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150241226 830844990 /nfs/dbraw/zinc/84/49/90/830844990.db2.gz NJJQTIKTDKRPJR-CABCVRRESA-N 2 1 338.452 -0.717 20 30 EBEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001151748490 831108812 /nfs/dbraw/zinc/10/88/12/831108812.db2.gz FRAAETXQWXOSCT-CQSZACIVSA-N 2 1 339.440 -0.825 20 30 EBEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001151748490 831108816 /nfs/dbraw/zinc/10/88/16/831108816.db2.gz FRAAETXQWXOSCT-CQSZACIVSA-N 2 1 339.440 -0.825 20 30 EBEDMP C#C[C@](C)(N)C(=O)N1CC[C@@H](N2CCOCC2)C[C@]1(C)C(=O)OC ZINC001159075264 831706796 /nfs/dbraw/zinc/70/67/96/831706796.db2.gz FLCULKMOTORULG-XOKHGSTOSA-N 2 1 337.420 -0.408 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCN(CC=C)C1=O ZINC001160209273 831824421 /nfs/dbraw/zinc/82/44/21/831824421.db2.gz GJGBPNHNWUJKBT-CVEARBPZSA-N 2 1 332.448 -0.033 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCN(CC=C)C1=O ZINC001160209273 831824429 /nfs/dbraw/zinc/82/44/29/831824429.db2.gz GJGBPNHNWUJKBT-CVEARBPZSA-N 2 1 332.448 -0.033 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160858153 831897480 /nfs/dbraw/zinc/89/74/80/831897480.db2.gz YGGQSTQPTWHPFE-HZSPNIEDSA-N 2 1 326.441 -0.508 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160858153 831897487 /nfs/dbraw/zinc/89/74/87/831897487.db2.gz YGGQSTQPTWHPFE-HZSPNIEDSA-N 2 1 326.441 -0.508 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001162663223 832059253 /nfs/dbraw/zinc/05/92/53/832059253.db2.gz NSUTUTADQVWORJ-UHFFFAOYSA-N 2 1 331.420 -0.393 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001167733047 832368479 /nfs/dbraw/zinc/36/84/79/832368479.db2.gz SSKKBEHTAHRQDJ-HNNXBMFYSA-N 2 1 334.464 -0.046 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001168145939 832399308 /nfs/dbraw/zinc/39/93/08/832399308.db2.gz BPRRFBPYOXNKMC-LSDHHAIUSA-N 2 1 334.464 -0.048 20 30 EBEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1=O ZINC001176644266 832686031 /nfs/dbraw/zinc/68/60/31/832686031.db2.gz NQECEDJSGDUMFW-HUUCEWRRSA-N 2 1 338.452 -0.410 20 30 EBEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1=O ZINC001176644266 832686034 /nfs/dbraw/zinc/68/60/34/832686034.db2.gz NQECEDJSGDUMFW-HUUCEWRRSA-N 2 1 338.452 -0.410 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190370334 834262124 /nfs/dbraw/zinc/26/21/24/834262124.db2.gz BLNWVPBABHHZOM-OWCLPIDISA-N 2 1 334.464 -0.003 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190370334 834262130 /nfs/dbraw/zinc/26/21/30/834262130.db2.gz BLNWVPBABHHZOM-OWCLPIDISA-N 2 1 334.464 -0.003 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190370334 834262137 /nfs/dbraw/zinc/26/21/37/834262137.db2.gz BLNWVPBABHHZOM-OWCLPIDISA-N 2 1 334.464 -0.003 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190370334 834262144 /nfs/dbraw/zinc/26/21/44/834262144.db2.gz BLNWVPBABHHZOM-OWCLPIDISA-N 2 1 334.464 -0.003 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193498559 834891963 /nfs/dbraw/zinc/89/19/63/834891963.db2.gz FMJCTXGZEFVJLN-HUUCEWRRSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001199943694 835882692 /nfs/dbraw/zinc/88/26/92/835882692.db2.gz OYDSCXORYOHTTM-ZFWWWQNUSA-N 2 1 336.436 -0.965 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943694 835882698 /nfs/dbraw/zinc/88/26/98/835882698.db2.gz OYDSCXORYOHTTM-ZFWWWQNUSA-N 2 1 336.436 -0.965 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200115515 835911210 /nfs/dbraw/zinc/91/12/10/835911210.db2.gz NAPJNEKIRRPVDV-CABCVRRESA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CCCO1 ZINC001200688320 836015951 /nfs/dbraw/zinc/01/59/51/836015951.db2.gz NGYFXCMQVJEAEA-HZPDHXFCSA-N 2 1 333.436 -0.346 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001201093517 836091591 /nfs/dbraw/zinc/09/15/91/836091591.db2.gz BNPKYTRNYZNCHG-RDJZCZTQSA-N 2 1 344.459 -0.198 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001201093517 836091601 /nfs/dbraw/zinc/09/16/01/836091601.db2.gz BNPKYTRNYZNCHG-RDJZCZTQSA-N 2 1 344.459 -0.198 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CCCO1 ZINC001201800164 836193809 /nfs/dbraw/zinc/19/38/09/836193809.db2.gz FDNYDFVOMNCABJ-HNNXBMFYSA-N 2 1 338.452 -0.715 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203728712 836469282 /nfs/dbraw/zinc/46/92/82/836469282.db2.gz BASCSCJWEAXATG-ZIAGYGMSSA-N 2 1 344.419 -0.152 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@H](O)COC)CC1 ZINC001205479689 836570732 /nfs/dbraw/zinc/57/07/32/836570732.db2.gz SNNACTYTKOFTTB-IRXDYDNUSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@H](O)COC)CC1 ZINC001205479689 836570741 /nfs/dbraw/zinc/57/07/41/836570741.db2.gz SNNACTYTKOFTTB-IRXDYDNUSA-N 2 1 337.464 -0.081 20 30 EBEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1 ZINC001206281351 836635200 /nfs/dbraw/zinc/63/52/00/836635200.db2.gz JPNSLJVRGIKXTB-UKRRQHHQSA-N 2 1 335.452 -0.348 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001206872726 836686236 /nfs/dbraw/zinc/68/62/36/836686236.db2.gz RBWDDUOLDXHQMV-MRXNPFEDSA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485522 837061929 /nfs/dbraw/zinc/06/19/29/837061929.db2.gz NFKRHWXZXXNKIV-IJEWVQPXSA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485522 837061932 /nfs/dbraw/zinc/06/19/32/837061932.db2.gz NFKRHWXZXXNKIV-IJEWVQPXSA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329850 837271774 /nfs/dbraw/zinc/27/17/74/837271774.db2.gz HYOKNKDVQMNCBJ-QLFBSQMISA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329850 837271786 /nfs/dbraw/zinc/27/17/86/837271786.db2.gz HYOKNKDVQMNCBJ-QLFBSQMISA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329851 837272126 /nfs/dbraw/zinc/27/21/26/837272126.db2.gz HYOKNKDVQMNCBJ-RBSFLKMASA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329851 837272133 /nfs/dbraw/zinc/27/21/33/837272133.db2.gz HYOKNKDVQMNCBJ-RBSFLKMASA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]Cc2nnnn2C)CC1 ZINC001319588175 838154904 /nfs/dbraw/zinc/15/49/04/838154904.db2.gz CJIOALVBYXZLLD-CYBMUJFWSA-N 2 1 333.440 -0.508 20 30 EBEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](CC(=O)NCC#N)CC1 ZINC001324880130 839729607 /nfs/dbraw/zinc/72/96/07/839729607.db2.gz KMAHWQQLYOYTQF-CQSZACIVSA-N 2 1 335.452 -0.061 20 30 EBEDMP CC[C@H](C(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)CC2)[NH+](C)C ZINC001326586498 840142195 /nfs/dbraw/zinc/14/21/95/840142195.db2.gz WNIXFMWWQVSHOY-CQSZACIVSA-N 2 1 335.452 -0.109 20 30 EBEDMP N#CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001330300204 841158683 /nfs/dbraw/zinc/15/86/83/841158683.db2.gz WMWOKUFFLRLSNI-YHUYYLMFSA-N 2 1 345.447 -0.738 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001330300204 841158689 /nfs/dbraw/zinc/15/86/89/841158689.db2.gz WMWOKUFFLRLSNI-YHUYYLMFSA-N 2 1 345.447 -0.738 20 30 EBEDMP N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001331427701 841406709 /nfs/dbraw/zinc/40/67/09/841406709.db2.gz VPDNSGILFYJJDO-JKSUJKDBSA-N 2 1 337.468 -0.080 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C(C)(C)C ZINC001332899314 841760131 /nfs/dbraw/zinc/76/01/31/841760131.db2.gz PBVRYRHFOVBAET-CYBMUJFWSA-N 2 1 334.424 -0.048 20 30 EBEDMP C[NH+]=C(NCC1(O)CCOCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001339431116 842915508 /nfs/dbraw/zinc/91/55/08/842915508.db2.gz MBDKXSNNWVMHPP-HNNXBMFYSA-N 2 1 340.468 -0.243 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001691350256 1125853122 /nfs/dbraw/zinc/85/31/22/1125853122.db2.gz UCIPYGLPTAGDEU-GJZGRUSLSA-N 2 1 343.493 -0.187 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001691350256 1125853124 /nfs/dbraw/zinc/85/31/24/1125853124.db2.gz UCIPYGLPTAGDEU-GJZGRUSLSA-N 2 1 343.493 -0.187 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001481117644 1125925616 /nfs/dbraw/zinc/92/56/16/1125925616.db2.gz CJOWEYXPIXWSCX-LSDHHAIUSA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001481122462 1125926740 /nfs/dbraw/zinc/92/67/40/1125926740.db2.gz AVECJWRGDKFXSN-HIFRSBDPSA-N 2 1 331.420 -0.232 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001481122462 1125926741 /nfs/dbraw/zinc/92/67/41/1125926741.db2.gz AVECJWRGDKFXSN-HIFRSBDPSA-N 2 1 331.420 -0.232 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN1CC[NH+](CCCO)CC1 ZINC001481469085 1125997535 /nfs/dbraw/zinc/99/75/35/1125997535.db2.gz OPQSITUGNCMOFB-KRWDZBQOSA-N 2 1 336.480 -0.458 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN1CC[NH+](CCCO)CC1 ZINC001481469085 1125997537 /nfs/dbraw/zinc/99/75/37/1125997537.db2.gz OPQSITUGNCMOFB-KRWDZBQOSA-N 2 1 336.480 -0.458 20 30 EBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001481504671 1126005126 /nfs/dbraw/zinc/00/51/26/1126005126.db2.gz NQCJLDBFPRUGFD-OAHLLOKOSA-N 2 1 332.448 -0.388 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001482066736 1126075285 /nfs/dbraw/zinc/07/52/85/1126075285.db2.gz IRCPGDBEKAWFSS-UKRRQHHQSA-N 2 1 331.420 -0.090 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001482435491 1126149654 /nfs/dbraw/zinc/14/96/54/1126149654.db2.gz FXCUWYOQVTZVFZ-TZMCWYRMSA-N 2 1 332.408 -0.342 20 30 EBEDMP CC[C@@H](C(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)CC2)[NH+](C)C ZINC001280392283 1126178248 /nfs/dbraw/zinc/17/82/48/1126178248.db2.gz WNIXFMWWQVSHOY-AWEZNQCLSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001691601939 1126324845 /nfs/dbraw/zinc/32/48/45/1126324845.db2.gz OEMGDZUBCQTGNW-RRFJBIMHSA-N 2 1 335.452 -0.015 20 30 EBEDMP COCC#CC[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001691606857 1126325224 /nfs/dbraw/zinc/32/52/24/1126325224.db2.gz VSVRKAQOYZQUJB-MRXNPFEDSA-N 2 1 325.453 -0.005 20 30 EBEDMP COCC#CC[NH+](C)CCOCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001691606857 1126325226 /nfs/dbraw/zinc/32/52/26/1126325226.db2.gz VSVRKAQOYZQUJB-MRXNPFEDSA-N 2 1 325.453 -0.005 20 30 EBEDMP COCC#CC[NH+](C)CCOCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001691606857 1126325228 /nfs/dbraw/zinc/32/52/28/1126325228.db2.gz VSVRKAQOYZQUJB-MRXNPFEDSA-N 2 1 325.453 -0.005 20 30 EBEDMP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001484436466 1126578243 /nfs/dbraw/zinc/57/82/43/1126578243.db2.gz WRAUVLVQTAQZHV-QGZVFWFLSA-N 2 1 333.436 -0.365 20 30 EBEDMP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001484436466 1126578244 /nfs/dbraw/zinc/57/82/44/1126578244.db2.gz WRAUVLVQTAQZHV-QGZVFWFLSA-N 2 1 333.436 -0.365 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001484916000 1126651821 /nfs/dbraw/zinc/65/18/21/1126651821.db2.gz UXHGIJMWCVVGNI-AWEZNQCLSA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001484916000 1126651822 /nfs/dbraw/zinc/65/18/22/1126651822.db2.gz UXHGIJMWCVVGNI-AWEZNQCLSA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001484998809 1126661913 /nfs/dbraw/zinc/66/19/13/1126661913.db2.gz JXWFOAJWOYXDOQ-ZFWWWQNUSA-N 2 1 345.447 -0.012 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC(=O)NCC=C)C1 ZINC001485093852 1126674294 /nfs/dbraw/zinc/67/42/94/1126674294.db2.gz LUUDTWCIGBMTTK-GPANFISMSA-N 2 1 332.448 -0.129 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC(=O)NCC=C)C1 ZINC001485093852 1126674295 /nfs/dbraw/zinc/67/42/95/1126674295.db2.gz LUUDTWCIGBMTTK-GPANFISMSA-N 2 1 332.448 -0.129 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001485518953 1126741128 /nfs/dbraw/zinc/74/11/28/1126741128.db2.gz YVNYZCKCTNUJIH-KBPBESRZSA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001485523489 1126741718 /nfs/dbraw/zinc/74/17/18/1126741718.db2.gz SXTAAHDAIZIPJN-KGLIPLIRSA-N 2 1 334.464 -0.097 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001485649427 1126777419 /nfs/dbraw/zinc/77/74/19/1126777419.db2.gz OWMHKSCNONGLIX-TZMCWYRMSA-N 2 1 348.407 -0.963 20 30 EBEDMP CC[N@H+](C)CCC(=O)N1CC2(C1)CCC[NH+](CC(=O)NCC#N)C2 ZINC001485666752 1126793850 /nfs/dbraw/zinc/79/38/50/1126793850.db2.gz SGMYXRQNQMDRAP-UHFFFAOYSA-N 2 1 335.452 -0.108 20 30 EBEDMP CC[N@@H+](C)CCC(=O)N1CC2(C1)CCC[NH+](CC(=O)NCC#N)C2 ZINC001485666752 1126793856 /nfs/dbraw/zinc/79/38/56/1126793856.db2.gz SGMYXRQNQMDRAP-UHFFFAOYSA-N 2 1 335.452 -0.108 20 30 EBEDMP CC[NH+](C)CCC(=O)N1CC2(C1)CCC[N@H+](CC(=O)NCC#N)C2 ZINC001485666752 1126793860 /nfs/dbraw/zinc/79/38/60/1126793860.db2.gz SGMYXRQNQMDRAP-UHFFFAOYSA-N 2 1 335.452 -0.108 20 30 EBEDMP CC[NH+](C)CCC(=O)N1CC2(C1)CCC[N@@H+](CC(=O)NCC#N)C2 ZINC001485666752 1126793862 /nfs/dbraw/zinc/79/38/62/1126793862.db2.gz SGMYXRQNQMDRAP-UHFFFAOYSA-N 2 1 335.452 -0.108 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cn1c[nH+]cc1C ZINC001485816675 1126849555 /nfs/dbraw/zinc/84/95/55/1126849555.db2.gz JDMMYZCNUGMHFA-HNNXBMFYSA-N 2 1 331.420 -0.232 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001486159291 1127052160 /nfs/dbraw/zinc/05/21/60/1127052160.db2.gz FRCPKQOAXGEJIC-KDOFPFPSSA-N 2 1 345.447 -0.165 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001486159291 1127052161 /nfs/dbraw/zinc/05/21/61/1127052161.db2.gz FRCPKQOAXGEJIC-KDOFPFPSSA-N 2 1 345.447 -0.165 20 30 EBEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001486359515 1127153699 /nfs/dbraw/zinc/15/36/99/1127153699.db2.gz YEPWCVCOGJEISC-JKSUJKDBSA-N 2 1 325.453 -0.271 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001691673882 1127506519 /nfs/dbraw/zinc/50/65/19/1127506519.db2.gz SCPWNCPLOFGJHV-KBMXLJTQSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001691673882 1127506521 /nfs/dbraw/zinc/50/65/21/1127506521.db2.gz SCPWNCPLOFGJHV-KBMXLJTQSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1CC#C ZINC001490208461 1129127010 /nfs/dbraw/zinc/12/70/10/1129127010.db2.gz JJBQYGXKXBCLEO-CVEARBPZSA-N 2 1 332.448 -0.340 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1CC#C ZINC001490208461 1129127014 /nfs/dbraw/zinc/12/70/14/1129127014.db2.gz JJBQYGXKXBCLEO-CVEARBPZSA-N 2 1 332.448 -0.340 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001490208461 1129127017 /nfs/dbraw/zinc/12/70/17/1129127017.db2.gz JJBQYGXKXBCLEO-CVEARBPZSA-N 2 1 332.448 -0.340 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001490208461 1129127021 /nfs/dbraw/zinc/12/70/21/1129127021.db2.gz JJBQYGXKXBCLEO-CVEARBPZSA-N 2 1 332.448 -0.340 20 30 EBEDMP C[N@H+]1CC[C@@H](CC(=O)NC2CCC([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001491370818 1130418123 /nfs/dbraw/zinc/41/81/23/1130418123.db2.gz BNDPEYBSFISNMM-NFOMZHRRSA-N 2 1 335.452 -0.015 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001492257770 1130610418 /nfs/dbraw/zinc/61/04/18/1130610418.db2.gz VLMNHVSXPLIZEJ-CHWSQXEVSA-N 2 1 339.440 -0.614 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001492257770 1130610421 /nfs/dbraw/zinc/61/04/21/1130610421.db2.gz VLMNHVSXPLIZEJ-CHWSQXEVSA-N 2 1 339.440 -0.614 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001492257770 1130610423 /nfs/dbraw/zinc/61/04/23/1130610423.db2.gz VLMNHVSXPLIZEJ-CHWSQXEVSA-N 2 1 339.440 -0.614 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001492257770 1130610426 /nfs/dbraw/zinc/61/04/26/1130610426.db2.gz VLMNHVSXPLIZEJ-CHWSQXEVSA-N 2 1 339.440 -0.614 20 30 EBEDMP O=C1C[C@@]2(CC[NH+](CC#CC[N@@H+]3CC[C@]4(CNC(=O)C4)C3)C2)CN1 ZINC000375329232 380837768 /nfs/dbraw/zinc/83/77/68/380837768.db2.gz YHIKFKBLORRKSR-ROUUACIJSA-N 2 1 330.432 -0.586 20 30 EBEDMP Cn1cc(CN2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)cn1 ZINC000329344513 381595878 /nfs/dbraw/zinc/59/58/78/381595878.db2.gz CLLBUISSECPTJY-MRXNPFEDSA-N 2 1 349.483 -0.303 20 30 EBEDMP Cn1cc(CN2CCN(C(=O)NC[C@@H]3CN(C)CCN3C)CC2)cn1 ZINC000329344513 381595882 /nfs/dbraw/zinc/59/58/82/381595882.db2.gz CLLBUISSECPTJY-MRXNPFEDSA-N 2 1 349.483 -0.303 20 30 EBEDMP C=C1[C@H](C(=O)NC[C@H]2CC[N@H+](C)C2)[C@H]1C(=O)NC[C@@H]1CC[NH+](C)C1 ZINC000900306228 582766355 /nfs/dbraw/zinc/76/63/55/582766355.db2.gz PRWPTUPGRIKVTF-FZKCQIBNSA-N 2 1 334.464 -0.076 20 30 EBEDMP C=C1[C@H](C(=O)NC[C@H]2CC[NH+](C)C2)[C@H]1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000900306228 582766356 /nfs/dbraw/zinc/76/63/56/582766356.db2.gz PRWPTUPGRIKVTF-FZKCQIBNSA-N 2 1 334.464 -0.076 20 30 EBEDMP C=C1[C@H](C(=O)NC[C@H]2CC[NH+](C)C2)[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000900306228 582766361 /nfs/dbraw/zinc/76/63/61/582766361.db2.gz PRWPTUPGRIKVTF-FZKCQIBNSA-N 2 1 334.464 -0.076 20 30 EBEDMP C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC000733148630 582856385 /nfs/dbraw/zinc/85/63/85/582856385.db2.gz FVPAQQQQIQEFGW-INIZCTEOSA-N 2 1 330.432 -0.632 20 30 EBEDMP C[NH+]=C(NCCC[N@H+]1CCCO[C@@H](C)C1)NCCN1CCOCC1 ZINC000849104419 584166022 /nfs/dbraw/zinc/16/60/22/584166022.db2.gz PNUIUGYPRIPUNM-INIZCTEOSA-N 2 1 341.500 -0.016 20 30 EBEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@]1([NH+](C)C)CCSC1 ZINC000849096888 584166072 /nfs/dbraw/zinc/16/60/72/584166072.db2.gz GSJVGMCAUNCXDW-OAHLLOKOSA-N 2 1 329.514 -0.079 20 30 EBEDMP C#CCN1CCC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)C1 ZINC000890362627 584694189 /nfs/dbraw/zinc/69/41/89/584694189.db2.gz FUWUARDAMLODQJ-LSDHHAIUSA-N 2 1 336.436 -0.170 20 30 EBEDMP C[NH+]=C(NCCN1CCCS1(=O)=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083167493 649971985 /nfs/dbraw/zinc/97/19/85/649971985.db2.gz ABLCOZBAMTVBIU-LBPRGKRZSA-N 2 1 329.470 -0.576 20 30 EBEDMP C[NH+]=C(NCCN1CCCS1(=O)=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083167493 649971989 /nfs/dbraw/zinc/97/19/89/649971989.db2.gz ABLCOZBAMTVBIU-LBPRGKRZSA-N 2 1 329.470 -0.576 20 30 EBEDMP C[NH+]=C(NCCN1CCOCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261780096 649984954 /nfs/dbraw/zinc/98/49/54/649984954.db2.gz PYUWLHCRVIHUJR-INIZCTEOSA-N 2 1 339.484 -0.452 20 30 EBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000261931396 649985475 /nfs/dbraw/zinc/98/54/75/649985475.db2.gz WIKKCCDLPATCPY-OLZOCXBDSA-N 2 1 331.486 -0.344 20 30 EBEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)NCC(C)(C)N1CCOCC1 ZINC000262907901 649988168 /nfs/dbraw/zinc/98/81/68/649988168.db2.gz RKLHCNAJLJLQJY-OAHLLOKOSA-N 2 1 340.516 -0.492 20 30 EBEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000303903639 649993185 /nfs/dbraw/zinc/99/31/85/649993185.db2.gz YMIBCMQZIZKIPI-INIZCTEOSA-N 2 1 340.516 -0.633 20 30 EBEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000303903645 649993304 /nfs/dbraw/zinc/99/33/04/649993304.db2.gz YMIBCMQZIZKIPI-MRXNPFEDSA-N 2 1 340.516 -0.633 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000951241690 654431114 /nfs/dbraw/zinc/43/11/14/654431114.db2.gz TUNIPLOWSYQJKI-CVEARBPZSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000951241690 654431119 /nfs/dbraw/zinc/43/11/19/654431119.db2.gz TUNIPLOWSYQJKI-CVEARBPZSA-N 2 1 344.459 -0.103 20 30 EBEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCCC2)C1=O ZINC000962552229 723283075 /nfs/dbraw/zinc/28/30/75/723283075.db2.gz CVHNODIUEOPJME-DLTWYDFYSA-N 2 1 332.448 -0.085 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](CC)C(N)=O)C[C@H]32)CC1 ZINC000962759641 723320015 /nfs/dbraw/zinc/32/00/15/723320015.db2.gz CEAVMNNJPBWDQM-XUWVNRHRSA-N 2 1 332.448 -0.358 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000993856790 725954901 /nfs/dbraw/zinc/95/49/01/725954901.db2.gz CCPDVGNWQZNWSJ-OAHLLOKOSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000994750352 726071434 /nfs/dbraw/zinc/07/14/34/726071434.db2.gz HWPYGIOTXIXSHH-HOTGVXAUSA-N 2 1 334.464 -0.003 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000994750352 726071439 /nfs/dbraw/zinc/07/14/39/726071439.db2.gz HWPYGIOTXIXSHH-HOTGVXAUSA-N 2 1 334.464 -0.003 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nncn2C)CC1 ZINC000996683305 726422096 /nfs/dbraw/zinc/42/20/96/726422096.db2.gz BPTAKYDAUCNQHF-HNNXBMFYSA-N 2 1 330.436 -0.007 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nncn2C)CC1 ZINC000996683305 726422097 /nfs/dbraw/zinc/42/20/97/726422097.db2.gz BPTAKYDAUCNQHF-HNNXBMFYSA-N 2 1 330.436 -0.007 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001022220907 729468444 /nfs/dbraw/zinc/46/84/44/729468444.db2.gz UDKLDEIGKFNXFG-FZKCQIBNSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001022220907 729468445 /nfs/dbraw/zinc/46/84/45/729468445.db2.gz UDKLDEIGKFNXFG-FZKCQIBNSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)c3nnnn3C)C2)CC1 ZINC001023127943 729614749 /nfs/dbraw/zinc/61/47/49/729614749.db2.gz KERQSGFEZYQAEB-AEGPPILISA-N 2 1 345.451 -0.147 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001030019227 730535812 /nfs/dbraw/zinc/53/58/12/730535812.db2.gz YMFCRSHMBFADKA-JYJNAYRXSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001030019227 730535815 /nfs/dbraw/zinc/53/58/15/730535815.db2.gz YMFCRSHMBFADKA-JYJNAYRXSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnnn1C ZINC001034962746 731169014 /nfs/dbraw/zinc/16/90/14/731169014.db2.gz OOQSHMJJFCCVHJ-ZBFHGGJFSA-N 2 1 330.436 -0.007 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnnn1C ZINC001034962746 731169016 /nfs/dbraw/zinc/16/90/16/731169016.db2.gz OOQSHMJJFCCVHJ-ZBFHGGJFSA-N 2 1 330.436 -0.007 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001034963274 731169348 /nfs/dbraw/zinc/16/93/48/731169348.db2.gz VFPWXKDISDOKBN-KFWWJZLASA-N 2 1 346.431 -0.530 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001034963274 731169349 /nfs/dbraw/zinc/16/93/49/731169349.db2.gz VFPWXKDISDOKBN-KFWWJZLASA-N 2 1 346.431 -0.530 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046037424 733821436 /nfs/dbraw/zinc/82/14/36/733821436.db2.gz ZYVJBNJXXQSIJJ-IRXDYDNUSA-N 2 1 334.464 -0.705 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046037424 733821440 /nfs/dbraw/zinc/82/14/40/733821440.db2.gz ZYVJBNJXXQSIJJ-IRXDYDNUSA-N 2 1 334.464 -0.705 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH+](CCO)C2)CC1 ZINC001046037424 733821443 /nfs/dbraw/zinc/82/14/43/733821443.db2.gz ZYVJBNJXXQSIJJ-IRXDYDNUSA-N 2 1 334.464 -0.705 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH+](CCO)C2)CC1 ZINC001046037424 733821445 /nfs/dbraw/zinc/82/14/45/733821445.db2.gz ZYVJBNJXXQSIJJ-IRXDYDNUSA-N 2 1 334.464 -0.705 20 30 EBEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039433 733823731 /nfs/dbraw/zinc/82/37/31/733823731.db2.gz YDISGZFOLVAXHF-KZNAEPCWSA-N 2 1 348.491 -0.053 20 30 EBEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039433 733823733 /nfs/dbraw/zinc/82/37/33/733823733.db2.gz YDISGZFOLVAXHF-KZNAEPCWSA-N 2 1 348.491 -0.053 20 30 EBEDMP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039433 733823734 /nfs/dbraw/zinc/82/37/34/733823734.db2.gz YDISGZFOLVAXHF-KZNAEPCWSA-N 2 1 348.491 -0.053 20 30 EBEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039433 733823735 /nfs/dbraw/zinc/82/37/35/733823735.db2.gz YDISGZFOLVAXHF-KZNAEPCWSA-N 2 1 348.491 -0.053 20 30 EBEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC001046085990 733858030 /nfs/dbraw/zinc/85/80/30/733858030.db2.gz LHERUFKEPBWFTK-SJORKVTESA-N 2 1 334.464 -0.441 20 30 EBEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC001046085990 733858032 /nfs/dbraw/zinc/85/80/32/733858032.db2.gz LHERUFKEPBWFTK-SJORKVTESA-N 2 1 334.464 -0.441 20 30 EBEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)CC2)C1 ZINC001046085990 733858035 /nfs/dbraw/zinc/85/80/35/733858035.db2.gz LHERUFKEPBWFTK-SJORKVTESA-N 2 1 334.464 -0.441 20 30 EBEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)CC2)C1 ZINC001046085990 733858038 /nfs/dbraw/zinc/85/80/38/733858038.db2.gz LHERUFKEPBWFTK-SJORKVTESA-N 2 1 334.464 -0.441 20 30 EBEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001047463712 734207762 /nfs/dbraw/zinc/20/77/62/734207762.db2.gz OIQNLPZBTNHBDN-XJADACSNSA-N 2 1 335.448 -0.071 20 30 EBEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001047463712 734207765 /nfs/dbraw/zinc/20/77/65/734207765.db2.gz OIQNLPZBTNHBDN-XJADACSNSA-N 2 1 335.448 -0.071 20 30 EBEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001047463712 734207768 /nfs/dbraw/zinc/20/77/68/734207768.db2.gz OIQNLPZBTNHBDN-XJADACSNSA-N 2 1 335.448 -0.071 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@H](CC)C(N)=O)C[C@@H]2C1 ZINC001048870343 734547765 /nfs/dbraw/zinc/54/77/65/734547765.db2.gz YTUDBNQILRXYPO-QXSJWSMHSA-N 2 1 332.448 -0.262 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H](CC)C(N)=O)C[C@@H]2C1 ZINC001048870343 734547767 /nfs/dbraw/zinc/54/77/67/734547767.db2.gz YTUDBNQILRXYPO-QXSJWSMHSA-N 2 1 332.448 -0.262 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@H](CC)C(N)=O)C[C@@H]2C1 ZINC001048870343 734547768 /nfs/dbraw/zinc/54/77/68/734547768.db2.gz YTUDBNQILRXYPO-QXSJWSMHSA-N 2 1 332.448 -0.262 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@H](CC)C(N)=O)C[C@@H]2C1 ZINC001048870343 734547770 /nfs/dbraw/zinc/54/77/70/734547770.db2.gz YTUDBNQILRXYPO-QXSJWSMHSA-N 2 1 332.448 -0.262 20 30 EBEDMP C[NH+]1CCC(OCC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)CC1 ZINC001052101978 735547833 /nfs/dbraw/zinc/54/78/33/735547833.db2.gz BOSKOGRHZDZGQI-MRXNPFEDSA-N 2 1 349.479 -0.161 20 30 EBEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070296316 740780022 /nfs/dbraw/zinc/78/00/22/740780022.db2.gz GWRQZLZJVKQGCP-CABCVRRESA-N 2 1 334.424 -0.472 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001070657476 740911982 /nfs/dbraw/zinc/91/19/82/740911982.db2.gz BZGRDJGPVRGHKV-OAGGEKHMSA-N 2 1 345.447 -0.606 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001070657476 740911986 /nfs/dbraw/zinc/91/19/86/740911986.db2.gz BZGRDJGPVRGHKV-OAGGEKHMSA-N 2 1 345.447 -0.606 20 30 EBEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001073603421 741681821 /nfs/dbraw/zinc/68/18/21/741681821.db2.gz GKPORWQHPGBQGZ-HNNXBMFYSA-N 2 1 333.436 -0.101 20 30 EBEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001073603421 741681822 /nfs/dbraw/zinc/68/18/22/741681822.db2.gz GKPORWQHPGBQGZ-HNNXBMFYSA-N 2 1 333.436 -0.101 20 30 EBEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073709574 741717967 /nfs/dbraw/zinc/71/79/67/741717967.db2.gz AADSAKLOZIRGJF-NDUQDZPOSA-N 2 1 333.432 -0.310 20 30 EBEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073709574 741717971 /nfs/dbraw/zinc/71/79/71/741717971.db2.gz AADSAKLOZIRGJF-NDUQDZPOSA-N 2 1 333.432 -0.310 20 30 EBEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073709574 741717973 /nfs/dbraw/zinc/71/79/73/741717973.db2.gz AADSAKLOZIRGJF-NDUQDZPOSA-N 2 1 333.432 -0.310 20 30 EBEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073709574 741717974 /nfs/dbraw/zinc/71/79/74/741717974.db2.gz AADSAKLOZIRGJF-NDUQDZPOSA-N 2 1 333.432 -0.310 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC000978285893 804769182 /nfs/dbraw/zinc/76/91/82/804769182.db2.gz WDMFERRUMFAJAV-JONQDZQNSA-N 2 1 332.448 -0.534 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC000978285893 804769188 /nfs/dbraw/zinc/76/91/88/804769188.db2.gz WDMFERRUMFAJAV-JONQDZQNSA-N 2 1 332.448 -0.534 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(=O)N(C)C)C[C@H]21 ZINC000978285893 804769196 /nfs/dbraw/zinc/76/91/96/804769196.db2.gz WDMFERRUMFAJAV-JONQDZQNSA-N 2 1 332.448 -0.534 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(=O)N(C)C)C[C@H]21 ZINC000978285893 804769200 /nfs/dbraw/zinc/76/92/00/804769200.db2.gz WDMFERRUMFAJAV-JONQDZQNSA-N 2 1 332.448 -0.534 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)c2nnnn2C)C1 ZINC000983900754 807115934 /nfs/dbraw/zinc/11/59/34/807115934.db2.gz JIPUXQJEMZQFEY-AJNGGQMLSA-N 2 1 345.451 -0.147 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)c2nnnn2C)C1 ZINC000983900754 807115939 /nfs/dbraw/zinc/11/59/39/807115939.db2.gz JIPUXQJEMZQFEY-AJNGGQMLSA-N 2 1 345.451 -0.147 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)[C@H]2C)CC1 ZINC000987577379 807960845 /nfs/dbraw/zinc/96/08/45/807960845.db2.gz UJLPCQHHGACQEN-HIFRSBDPSA-N 2 1 345.451 -0.366 20 30 EBEDMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001214780075 810280597 /nfs/dbraw/zinc/28/05/97/810280597.db2.gz JRDFSIOLGMGIJV-KFWWJZLASA-N 2 1 335.452 -0.063 20 30 EBEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184560 810312882 /nfs/dbraw/zinc/31/28/82/810312882.db2.gz JMPPGNVLPZJHEM-LDBBTLTOSA-N 2 1 347.459 -0.064 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001216801391 810391617 /nfs/dbraw/zinc/39/16/17/810391617.db2.gz MAXQXWJIKRKDLA-RBSFLKMASA-N 2 1 338.452 -0.554 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001216801391 810391622 /nfs/dbraw/zinc/39/16/22/810391622.db2.gz MAXQXWJIKRKDLA-RBSFLKMASA-N 2 1 338.452 -0.554 20 30 EBEDMP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)NCCN1CC[NH2+]CC1=O ZINC001220874346 811277294 /nfs/dbraw/zinc/27/72/94/811277294.db2.gz GGXRDHBTWCSOCQ-CVEARBPZSA-N 2 1 341.415 -0.591 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCOCCO)CC1 ZINC001223494877 811709708 /nfs/dbraw/zinc/70/97/08/811709708.db2.gz FCZDKNOPPQOIMX-KRWDZBQOSA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCOCCO)CC1 ZINC001223494877 811709711 /nfs/dbraw/zinc/70/97/11/811709711.db2.gz FCZDKNOPPQOIMX-KRWDZBQOSA-N 2 1 337.464 -0.079 20 30 EBEDMP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001224536174 811763825 /nfs/dbraw/zinc/76/38/25/811763825.db2.gz JKHVHQCWIHFZTJ-CQSZACIVSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[C@@H]1CCC[N@H+]1CC(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001224536174 811763831 /nfs/dbraw/zinc/76/38/31/811763831.db2.gz JKHVHQCWIHFZTJ-CQSZACIVSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[C@@H]1CC[N@H+](CC(=O)NCC2CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001224558579 811766169 /nfs/dbraw/zinc/76/61/69/811766169.db2.gz HMZRBANYLJAKAE-CQSZACIVSA-N 2 1 335.452 -0.204 20 30 EBEDMP C[C@@H]1CC[N@@H+](CC(=O)NCC2CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001224558579 811766175 /nfs/dbraw/zinc/76/61/75/811766175.db2.gz HMZRBANYLJAKAE-CQSZACIVSA-N 2 1 335.452 -0.204 20 30 EBEDMP C[NH+](C)CCOCC(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001225154815 811796119 /nfs/dbraw/zinc/79/61/19/811796119.db2.gz JKFBFSAMDUPFLD-UHFFFAOYSA-N 2 1 339.440 -0.967 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001225426530 811808755 /nfs/dbraw/zinc/80/87/55/811808755.db2.gz BJIQLURQRJLQDY-GOEBONIOSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001265449429 813326676 /nfs/dbraw/zinc/32/66/76/813326676.db2.gz NAEIIGIQGCRXLQ-HNNXBMFYSA-N 2 1 331.420 -0.088 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001266495633 813586433 /nfs/dbraw/zinc/58/64/33/813586433.db2.gz QEAOQICBGXIZJP-QGZVFWFLSA-N 2 1 344.459 -0.338 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001266495633 813586435 /nfs/dbraw/zinc/58/64/35/813586435.db2.gz QEAOQICBGXIZJP-QGZVFWFLSA-N 2 1 344.459 -0.338 20 30 EBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001082222394 813830113 /nfs/dbraw/zinc/83/01/13/813830113.db2.gz XZHLNLZMDBGKGV-HZPDHXFCSA-N 2 1 333.436 -0.103 20 30 EBEDMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001267300207 813832127 /nfs/dbraw/zinc/83/21/27/813832127.db2.gz LUJSACWKMYEKQJ-KKUMJFAQSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001267300207 813832137 /nfs/dbraw/zinc/83/21/37/813832137.db2.gz LUJSACWKMYEKQJ-KKUMJFAQSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)CC[NH+]1C ZINC001267300207 813832143 /nfs/dbraw/zinc/83/21/43/813832143.db2.gz LUJSACWKMYEKQJ-KKUMJFAQSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)CC[NH+]1C ZINC001267300207 813832151 /nfs/dbraw/zinc/83/21/51/813832151.db2.gz LUJSACWKMYEKQJ-KKUMJFAQSA-N 2 1 335.452 -0.205 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001267530931 813922750 /nfs/dbraw/zinc/92/27/50/813922750.db2.gz HXOGRMUAJHYAHP-HOCLYGCPSA-N 2 1 347.463 -0.204 20 30 EBEDMP C[NH+](C)CC1(C(=O)N2CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C2)CC1 ZINC001267587666 813942791 /nfs/dbraw/zinc/94/27/91/813942791.db2.gz BOJOEPCKSYPRGM-CQSZACIVSA-N 2 1 335.452 -0.252 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001268399689 814232530 /nfs/dbraw/zinc/23/25/30/814232530.db2.gz JEYFQSTVVLFILA-HIFRSBDPSA-N 2 1 345.447 -0.012 20 30 EBEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001269148435 814552768 /nfs/dbraw/zinc/55/27/68/814552768.db2.gz CKSXEPQRGZKLNF-CABCVRRESA-N 2 1 335.452 -0.015 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001269468119 814704311 /nfs/dbraw/zinc/70/43/11/814704311.db2.gz GXTGALLTCBZEIW-GFCCVEGCSA-N 2 1 337.424 -0.669 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001269646584 814755829 /nfs/dbraw/zinc/75/58/29/814755829.db2.gz YYPACDVWEYINQF-KBXCAEBGSA-N 2 1 334.464 -0.048 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]Cc2nncs2)CC1 ZINC001272582915 816484813 /nfs/dbraw/zinc/48/48/13/816484813.db2.gz DALZGNFZAQZGLZ-ZDUSSCGKSA-N 2 1 337.449 -0.550 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001273176332 816600577 /nfs/dbraw/zinc/60/05/77/816600577.db2.gz SPBPOEJOOXWJRZ-OLZOCXBDSA-N 2 1 339.440 -0.566 20 30 EBEDMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NCC#N)CC2(C)C)C1 ZINC001274460082 816968453 /nfs/dbraw/zinc/96/84/53/816968453.db2.gz LAYJKJOYDBMMMY-KBPBESRZSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NCC#N)CC2(C)C)C1 ZINC001274460082 816968456 /nfs/dbraw/zinc/96/84/56/816968456.db2.gz LAYJKJOYDBMMMY-KBPBESRZSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)CC2(C)C)C1 ZINC001274460082 816968458 /nfs/dbraw/zinc/96/84/58/816968458.db2.gz LAYJKJOYDBMMMY-KBPBESRZSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)CC2(C)C)C1 ZINC001274460082 816968460 /nfs/dbraw/zinc/96/84/60/816968460.db2.gz LAYJKJOYDBMMMY-KBPBESRZSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[NH+](C)CC1(C(=O)NC2(C)CC[NH+](CC(=O)NCC#N)CC2)CC1 ZINC001278070886 817691111 /nfs/dbraw/zinc/69/11/11/817691111.db2.gz DMAGUEULHMJLOD-UHFFFAOYSA-N 2 1 335.452 -0.061 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001279624133 817958795 /nfs/dbraw/zinc/95/87/95/817958795.db2.gz BJUDTDLYCVJVLJ-JKSUJKDBSA-N 2 1 344.459 -0.246 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001279624133 817958800 /nfs/dbraw/zinc/95/88/00/817958800.db2.gz BJUDTDLYCVJVLJ-JKSUJKDBSA-N 2 1 344.459 -0.246 20 30 EBEDMP COCC#CC[NH2+][C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001281191918 818072351 /nfs/dbraw/zinc/07/23/51/818072351.db2.gz JJHZQPQYUREGGW-QGZVFWFLSA-N 2 1 334.420 -0.216 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001281721646 818270804 /nfs/dbraw/zinc/27/08/04/818270804.db2.gz DQKDKRVBOZNEPR-MJBXVCDLSA-N 2 1 334.420 -0.626 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001281721646 818270809 /nfs/dbraw/zinc/27/08/09/818270809.db2.gz DQKDKRVBOZNEPR-MJBXVCDLSA-N 2 1 334.420 -0.626 20 30 EBEDMP C[NH+](C)CCC(=O)NCCC[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001096259277 818759952 /nfs/dbraw/zinc/75/99/52/818759952.db2.gz VFYXECZXTHQNRW-UHFFFAOYSA-N 2 1 345.451 -0.072 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001283712810 818913759 /nfs/dbraw/zinc/91/37/59/818913759.db2.gz CSGNVRDZBNCQEW-QWHCGFSZSA-N 2 1 339.440 -0.614 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]Cc2cc(C)ncn2)CC1 ZINC001283832562 818991935 /nfs/dbraw/zinc/99/19/35/818991935.db2.gz UUQDMCJQNFXSKK-QGZVFWFLSA-N 2 1 345.447 -0.303 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC001283913082 819027913 /nfs/dbraw/zinc/02/79/13/819027913.db2.gz HYWMNJNAAPHVQH-HUUCEWRRSA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1(C)C ZINC001284321666 819184308 /nfs/dbraw/zinc/18/43/08/819184308.db2.gz CDYSJISQTOAXBV-LSDHHAIUSA-N 2 1 334.464 -0.096 20 30 EBEDMP COCC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001284501896 819258764 /nfs/dbraw/zinc/25/87/64/819258764.db2.gz KFABEAFEDIMZSP-JKSUJKDBSA-N 2 1 325.453 -0.128 20 30 EBEDMP COCC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001284501896 819258767 /nfs/dbraw/zinc/25/87/67/819258767.db2.gz KFABEAFEDIMZSP-JKSUJKDBSA-N 2 1 325.453 -0.128 20 30 EBEDMP COCC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001284501896 819258773 /nfs/dbraw/zinc/25/87/73/819258773.db2.gz KFABEAFEDIMZSP-JKSUJKDBSA-N 2 1 325.453 -0.128 20 30 EBEDMP COCC#CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001100522823 820454595 /nfs/dbraw/zinc/45/45/95/820454595.db2.gz IDUUQPFDUKXVBS-WCWCZOKXSA-N 2 1 347.459 -0.016 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001100681097 820510269 /nfs/dbraw/zinc/51/02/69/820510269.db2.gz VZAVAUVCTWBRRZ-UHFFFAOYSA-N 2 1 334.464 -0.048 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312518 821068438 /nfs/dbraw/zinc/06/84/38/821068438.db2.gz BERGCFMVZMYSSY-GDBMZVCRSA-N 2 1 334.464 -0.238 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366734 821079726 /nfs/dbraw/zinc/07/97/26/821079726.db2.gz OQIFNXYSUFCKGT-BZUAXINKSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366734 821079738 /nfs/dbraw/zinc/07/97/38/821079738.db2.gz OQIFNXYSUFCKGT-BZUAXINKSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366734 821079748 /nfs/dbraw/zinc/07/97/48/821079748.db2.gz OQIFNXYSUFCKGT-BZUAXINKSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001296161540 821219299 /nfs/dbraw/zinc/21/92/99/821219299.db2.gz QNYVPFOPWQBSPI-HNNXBMFYSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001296161540 821219304 /nfs/dbraw/zinc/21/93/04/821219304.db2.gz QNYVPFOPWQBSPI-HNNXBMFYSA-N 2 1 332.448 -0.246 20 30 EBEDMP C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372493 821726473 /nfs/dbraw/zinc/72/64/73/821726473.db2.gz JYMZOKOEPWIBBS-AWEZNQCLSA-N 2 1 348.451 -0.095 20 30 EBEDMP C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372493 821726481 /nfs/dbraw/zinc/72/64/81/821726481.db2.gz JYMZOKOEPWIBBS-AWEZNQCLSA-N 2 1 348.451 -0.095 20 30 EBEDMP C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1)Cc1ccccc1 ZINC001317093752 822001728 /nfs/dbraw/zinc/00/17/28/822001728.db2.gz UMKAUTLMYKVQNN-WKILWMFISA-N 2 1 343.431 -0.005 20 30 EBEDMP C[N@@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1)Cc1ccccc1 ZINC001317093752 822001738 /nfs/dbraw/zinc/00/17/38/822001738.db2.gz UMKAUTLMYKVQNN-WKILWMFISA-N 2 1 343.431 -0.005 20 30 EBEDMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)C1 ZINC001106666571 822308001 /nfs/dbraw/zinc/30/80/01/822308001.db2.gz PCGLTQUPVJQVGS-RRFJBIMHSA-N 2 1 335.452 -0.348 20 30 EBEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385959 828609654 /nfs/dbraw/zinc/60/96/54/828609654.db2.gz UHFPRVDWPLLXCH-CABCVRRESA-N 2 1 336.440 -0.226 20 30 EBEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385959 828609658 /nfs/dbraw/zinc/60/96/58/828609658.db2.gz UHFPRVDWPLLXCH-CABCVRRESA-N 2 1 336.440 -0.226 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129387352 828610605 /nfs/dbraw/zinc/61/06/05/828610605.db2.gz ULJPRSQJIRPEGT-KGLIPLIRSA-N 2 1 336.440 -0.790 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129531619 828630926 /nfs/dbraw/zinc/63/09/26/828630926.db2.gz BTLVDLSMBNDPSZ-UHFFFAOYSA-N 2 1 325.413 -0.812 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C)C2 ZINC001108821955 824441922 /nfs/dbraw/zinc/44/19/22/824441922.db2.gz UQFHOKTXCWZZNP-JYJNAYRXSA-N 2 1 343.431 -0.090 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(CC=C)CC=C ZINC001129790900 828670032 /nfs/dbraw/zinc/67/00/32/828670032.db2.gz NDZKNOZZGBCKLD-INIZCTEOSA-N 2 1 332.448 -0.010 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(CC=C)CC=C ZINC001129790900 828670034 /nfs/dbraw/zinc/67/00/34/828670034.db2.gz NDZKNOZZGBCKLD-INIZCTEOSA-N 2 1 332.448 -0.010 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001129790749 828670145 /nfs/dbraw/zinc/67/01/45/828670145.db2.gz HLCSIXYPTUSXBE-OCCSQVGLSA-N 2 1 349.435 -0.834 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001129790749 828670149 /nfs/dbraw/zinc/67/01/49/828670149.db2.gz HLCSIXYPTUSXBE-OCCSQVGLSA-N 2 1 349.435 -0.834 20 30 EBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912577 828693260 /nfs/dbraw/zinc/69/32/60/828693260.db2.gz PSUPCMKAJHXPFO-LVQVYYBASA-N 2 1 346.435 -0.638 20 30 EBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912577 828693265 /nfs/dbraw/zinc/69/32/65/828693265.db2.gz PSUPCMKAJHXPFO-LVQVYYBASA-N 2 1 346.435 -0.638 20 30 EBEDMP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[NH+](C)C)n1 ZINC001130234727 828763114 /nfs/dbraw/zinc/76/31/14/828763114.db2.gz JDBMDEPYBFOHQY-KBPBESRZSA-N 2 1 348.451 -0.142 20 30 EBEDMP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[NH+](C)C)n[nH]1 ZINC001130234727 828763118 /nfs/dbraw/zinc/76/31/18/828763118.db2.gz JDBMDEPYBFOHQY-KBPBESRZSA-N 2 1 348.451 -0.142 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001179719492 833003844 /nfs/dbraw/zinc/00/38/44/833003844.db2.gz HYWMNJNAAPHVQH-GJZGRUSLSA-N 2 1 336.436 -0.963 20 30 EBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001114291253 826196226 /nfs/dbraw/zinc/19/62/26/826196226.db2.gz UUSVAGMKCHEELM-AIANPOQGSA-N 2 1 332.448 -0.323 20 30 EBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001114291253 826196230 /nfs/dbraw/zinc/19/62/30/826196230.db2.gz UUSVAGMKCHEELM-AIANPOQGSA-N 2 1 332.448 -0.323 20 30 EBEDMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001114501744 826267128 /nfs/dbraw/zinc/26/71/28/826267128.db2.gz HPLYJQXLPJLKNU-DLTWYDFYSA-N 2 1 347.463 -0.207 20 30 EBEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001114501744 826267132 /nfs/dbraw/zinc/26/71/32/826267132.db2.gz HPLYJQXLPJLKNU-DLTWYDFYSA-N 2 1 347.463 -0.207 20 30 EBEDMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114501744 826267135 /nfs/dbraw/zinc/26/71/35/826267135.db2.gz HPLYJQXLPJLKNU-DLTWYDFYSA-N 2 1 347.463 -0.207 20 30 EBEDMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114501744 826267140 /nfs/dbraw/zinc/26/71/40/826267140.db2.gz HPLYJQXLPJLKNU-DLTWYDFYSA-N 2 1 347.463 -0.207 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC001114518815 826275265 /nfs/dbraw/zinc/27/52/65/826275265.db2.gz QVLYBCUTMDBUOJ-NHAGDIPZSA-N 2 1 331.420 -0.699 20 30 EBEDMP N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC001114518815 826275268 /nfs/dbraw/zinc/27/52/68/826275268.db2.gz QVLYBCUTMDBUOJ-NHAGDIPZSA-N 2 1 331.420 -0.699 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1 ZINC001114562885 826287926 /nfs/dbraw/zinc/28/79/26/826287926.db2.gz PCGSHUGAHLRNTL-QLPKVWCKSA-N 2 1 337.383 -0.256 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1 ZINC001114562885 826287928 /nfs/dbraw/zinc/28/79/28/826287928.db2.gz PCGSHUGAHLRNTL-QLPKVWCKSA-N 2 1 337.383 -0.256 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125781 826427765 /nfs/dbraw/zinc/42/77/65/826427765.db2.gz BWPDDDNGAYZTTO-NYTXWWLZSA-N 2 1 338.452 -0.698 20 30 EBEDMP N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCCC1 ZINC001115249531 826474804 /nfs/dbraw/zinc/47/48/04/826474804.db2.gz GJOPENPFTOOMET-HWWDLCQESA-N 2 1 347.463 -0.061 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCCC1 ZINC001115249531 826474805 /nfs/dbraw/zinc/47/48/05/826474805.db2.gz GJOPENPFTOOMET-HWWDLCQESA-N 2 1 347.463 -0.061 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](CC#C)CC1 ZINC001115290268 826495576 /nfs/dbraw/zinc/49/55/76/826495576.db2.gz QHYLXPKDCXPFDP-VQFNDLOPSA-N 2 1 342.443 -0.873 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](CC#C)CC1 ZINC001115290268 826495579 /nfs/dbraw/zinc/49/55/79/826495579.db2.gz QHYLXPKDCXPFDP-VQFNDLOPSA-N 2 1 342.443 -0.873 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001115300399 826502335 /nfs/dbraw/zinc/50/23/35/826502335.db2.gz RDUQEIALEOXLAE-DLTWYDFYSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001115300399 826502341 /nfs/dbraw/zinc/50/23/41/826502341.db2.gz RDUQEIALEOXLAE-DLTWYDFYSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CC ZINC001115300399 826502345 /nfs/dbraw/zinc/50/23/45/826502345.db2.gz RDUQEIALEOXLAE-DLTWYDFYSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CC ZINC001115300399 826502349 /nfs/dbraw/zinc/50/23/49/826502349.db2.gz RDUQEIALEOXLAE-DLTWYDFYSA-N 2 1 332.448 -0.343 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)NC1CC2(C1)CC([NH2+]CC(=O)NCC#N)C2 ZINC001121402469 827364614 /nfs/dbraw/zinc/36/46/14/827364614.db2.gz OOLSOSCWLDKIIO-UHFFFAOYSA-N 2 1 344.419 -0.152 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NCC#N)C1 ZINC001182125222 833205184 /nfs/dbraw/zinc/20/51/84/833205184.db2.gz UDJRDLBZPQRMOE-CXAGYDPISA-N 2 1 346.435 -0.095 20 30 EBEDMP CC[N@@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CC(=O)NCC#N)C2 ZINC001122021619 827505297 /nfs/dbraw/zinc/50/52/97/827505297.db2.gz BQVKNGCPCMGVLT-UHFFFAOYSA-N 2 1 335.452 -0.015 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](C[NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC001184810343 833340793 /nfs/dbraw/zinc/34/07/93/833340793.db2.gz NRHJWGJNORJDKR-DZGCQCFKSA-N 2 1 346.435 -0.095 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131525839 829154790 /nfs/dbraw/zinc/15/47/90/829154790.db2.gz NAUNTURLFKUFPE-XCCIUEIHSA-N 2 1 336.436 -0.754 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001133865430 829689197 /nfs/dbraw/zinc/68/91/97/829689197.db2.gz CTESAPUVNCZVSQ-JSGCOSHPSA-N 2 1 331.420 -0.402 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001211307714 837425775 /nfs/dbraw/zinc/42/57/75/837425775.db2.gz WSCSXRIRDJRLFR-NVXWUHKLSA-N 2 1 344.459 -0.483 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001211307714 837425780 /nfs/dbraw/zinc/42/57/80/837425780.db2.gz WSCSXRIRDJRLFR-NVXWUHKLSA-N 2 1 344.459 -0.483 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001147773990 830410368 /nfs/dbraw/zinc/41/03/68/830410368.db2.gz OLNOBANNRDKOKD-LSDHHAIUSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001148206454 830456909 /nfs/dbraw/zinc/45/69/09/830456909.db2.gz ZTALZKBYAGBCFO-UHFFFAOYSA-N 2 1 332.448 -0.388 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001148206454 830456912 /nfs/dbraw/zinc/45/69/12/830456912.db2.gz ZTALZKBYAGBCFO-UHFFFAOYSA-N 2 1 332.448 -0.388 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[N@H+](C)CCC ZINC001148577869 830512416 /nfs/dbraw/zinc/51/24/16/830512416.db2.gz HEXYTZDIPYUJBN-CYBMUJFWSA-N 2 1 341.456 -0.176 20 30 EBEDMP C=CCOCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001149439951 830666048 /nfs/dbraw/zinc/66/60/48/830666048.db2.gz RLTPXFKZWUNUHF-HOTGVXAUSA-N 2 1 341.452 -0.273 20 30 EBEDMP C=CCOCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001149439951 830666052 /nfs/dbraw/zinc/66/60/52/830666052.db2.gz RLTPXFKZWUNUHF-HOTGVXAUSA-N 2 1 341.452 -0.273 20 30 EBEDMP C=CCOCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001149439951 830666053 /nfs/dbraw/zinc/66/60/53/830666053.db2.gz RLTPXFKZWUNUHF-HOTGVXAUSA-N 2 1 341.452 -0.273 20 30 EBEDMP C=CCOCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001149439951 830666058 /nfs/dbraw/zinc/66/60/58/830666058.db2.gz RLTPXFKZWUNUHF-HOTGVXAUSA-N 2 1 341.452 -0.273 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155791303 831430434 /nfs/dbraw/zinc/43/04/34/831430434.db2.gz VQQYPLZYMXVBPZ-LBPRGKRZSA-N 2 1 325.413 -0.812 20 30 EBEDMP C[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC(=O)NCC#N)CC1 ZINC001159629178 831768048 /nfs/dbraw/zinc/76/80/48/831768048.db2.gz WVCSVHJPWYAOBC-HNNXBMFYSA-N 2 1 333.436 -0.141 20 30 EBEDMP C[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC(=O)NCC#N)CC1 ZINC001159629178 831768051 /nfs/dbraw/zinc/76/80/51/831768051.db2.gz WVCSVHJPWYAOBC-HNNXBMFYSA-N 2 1 333.436 -0.141 20 30 EBEDMP C[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CC(=O)NCC#N)CC1 ZINC001159629178 831768055 /nfs/dbraw/zinc/76/80/55/831768055.db2.gz WVCSVHJPWYAOBC-HNNXBMFYSA-N 2 1 333.436 -0.141 20 30 EBEDMP C[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC(=O)NCC#N)CC1 ZINC001159629178 831768058 /nfs/dbraw/zinc/76/80/58/831768058.db2.gz WVCSVHJPWYAOBC-HNNXBMFYSA-N 2 1 333.436 -0.141 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001162679542 832059828 /nfs/dbraw/zinc/05/98/28/832059828.db2.gz YQWCWXVOGKLFPC-AWEZNQCLSA-N 2 1 345.447 -0.004 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001166707847 832282589 /nfs/dbraw/zinc/28/25/89/832282589.db2.gz JQNFATFTTQFBSZ-UKRRQHHQSA-N 2 1 345.447 -0.012 20 30 EBEDMP C[N@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190195375 834243437 /nfs/dbraw/zinc/24/34/37/834243437.db2.gz FXAJGGUSMLBGLL-GJZGRUSLSA-N 2 1 333.436 -0.499 20 30 EBEDMP C[N@@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190195375 834243444 /nfs/dbraw/zinc/24/34/44/834243444.db2.gz FXAJGGUSMLBGLL-GJZGRUSLSA-N 2 1 333.436 -0.499 20 30 EBEDMP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001190445734 834270375 /nfs/dbraw/zinc/27/03/75/834270375.db2.gz ZXKPDASZLJMGCQ-UONOGXRCSA-N 2 1 341.431 -0.161 20 30 EBEDMP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001190445734 834270381 /nfs/dbraw/zinc/27/03/81/834270381.db2.gz ZXKPDASZLJMGCQ-UONOGXRCSA-N 2 1 341.431 -0.161 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192028170 834594134 /nfs/dbraw/zinc/59/41/34/834594134.db2.gz CWDFNGXISVDQHJ-GJZGRUSLSA-N 2 1 334.464 -0.001 20 30 EBEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193461251 834880287 /nfs/dbraw/zinc/88/02/87/834880287.db2.gz GZSOBRLLYZWAKY-CQSZACIVSA-N 2 1 326.441 -0.601 20 30 EBEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193461251 834880303 /nfs/dbraw/zinc/88/03/03/834880303.db2.gz GZSOBRLLYZWAKY-CQSZACIVSA-N 2 1 326.441 -0.601 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193498563 834891317 /nfs/dbraw/zinc/89/13/17/834891317.db2.gz FMJCTXGZEFVJLN-LSDHHAIUSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001193695088 834927968 /nfs/dbraw/zinc/92/79/68/834927968.db2.gz GAFBTTUJYKDYRU-KGLIPLIRSA-N 2 1 331.420 -0.069 20 30 EBEDMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001197783921 835609090 /nfs/dbraw/zinc/60/90/90/835609090.db2.gz RVCRDPSDHIUIRL-IAGOWNOFSA-N 2 1 346.431 -0.202 20 30 EBEDMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001197783921 835609091 /nfs/dbraw/zinc/60/90/91/835609091.db2.gz RVCRDPSDHIUIRL-IAGOWNOFSA-N 2 1 346.431 -0.202 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001199943803 835882723 /nfs/dbraw/zinc/88/27/23/835882723.db2.gz QVUFPIYZIDLZQR-DZGCQCFKSA-N 2 1 338.452 -0.412 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943803 835882726 /nfs/dbraw/zinc/88/27/26/835882726.db2.gz QVUFPIYZIDLZQR-DZGCQCFKSA-N 2 1 338.452 -0.412 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200116069 835911269 /nfs/dbraw/zinc/91/12/69/835911269.db2.gz SLCYSPCXISNBID-GJZGRUSLSA-N 2 1 338.452 -0.410 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001200657767 836010976 /nfs/dbraw/zinc/01/09/76/836010976.db2.gz AVCJSLHKBQDZEE-HOTGVXAUSA-N 2 1 348.447 -0.820 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC#CCOC)C1 ZINC001200722348 836022923 /nfs/dbraw/zinc/02/29/23/836022923.db2.gz VLEKNMHWOAQLET-MSOLQXFVSA-N 2 1 347.459 -0.059 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC#CCOC)C1 ZINC001200722348 836022928 /nfs/dbraw/zinc/02/29/28/836022928.db2.gz VLEKNMHWOAQLET-MSOLQXFVSA-N 2 1 347.459 -0.059 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201230348 836114148 /nfs/dbraw/zinc/11/41/48/836114148.db2.gz NXKSJQZSFXJPSE-UKRRQHHQSA-N 2 1 336.436 -0.965 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201230348 836114153 /nfs/dbraw/zinc/11/41/53/836114153.db2.gz NXKSJQZSFXJPSE-UKRRQHHQSA-N 2 1 336.436 -0.965 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203170174 836403059 /nfs/dbraw/zinc/40/30/59/836403059.db2.gz ZDNDSCLDLRHIPG-KBPBESRZSA-N 2 1 344.419 -0.152 20 30 EBEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203576951 836448808 /nfs/dbraw/zinc/44/88/08/836448808.db2.gz LTQQITRYLKJHLW-ZIAGYGMSSA-N 2 1 335.452 -0.015 20 30 EBEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203641018 836456938 /nfs/dbraw/zinc/45/69/38/836456938.db2.gz MBIDHJOELQMIBX-UONOGXRCSA-N 2 1 335.452 -0.015 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208492824 837064700 /nfs/dbraw/zinc/06/47/00/837064700.db2.gz QPBGXTCPIQMFBH-CHWSQXEVSA-N 2 1 339.440 -0.614 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208492824 837064707 /nfs/dbraw/zinc/06/47/07/837064707.db2.gz QPBGXTCPIQMFBH-CHWSQXEVSA-N 2 1 339.440 -0.614 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209149902 837138015 /nfs/dbraw/zinc/13/80/15/837138015.db2.gz IZCLOTIVZBWFKH-GDBMZVCRSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209149902 837138023 /nfs/dbraw/zinc/13/80/23/837138023.db2.gz IZCLOTIVZBWFKH-GDBMZVCRSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)NC(N)=O)CC1 ZINC001318955580 838053369 /nfs/dbraw/zinc/05/33/69/838053369.db2.gz CVKXCWGZUVPDPX-IHRRRGAJSA-N 2 1 349.435 -0.704 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)NC(N)=O)CC1 ZINC001318955580 838053382 /nfs/dbraw/zinc/05/33/82/838053382.db2.gz CVKXCWGZUVPDPX-IHRRRGAJSA-N 2 1 349.435 -0.704 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC(=O)NCC#N)C1 ZINC001320104013 838230272 /nfs/dbraw/zinc/23/02/72/838230272.db2.gz ORBLQUVZPLVREM-CABCVRRESA-N 2 1 344.419 -0.246 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC(=O)NCC#N)C1 ZINC001320104013 838230283 /nfs/dbraw/zinc/23/02/83/838230283.db2.gz ORBLQUVZPLVREM-CABCVRRESA-N 2 1 344.419 -0.246 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)C[C@@H](O)COC)CC1 ZINC001322307211 839170399 /nfs/dbraw/zinc/17/03/99/839170399.db2.gz OZZIVUFTWGAKJQ-GDBMZVCRSA-N 2 1 325.453 -0.225 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CCN1CCNC1=O ZINC001322549590 839198958 /nfs/dbraw/zinc/19/89/58/839198958.db2.gz PUJAHTSTZIVTTB-HNNXBMFYSA-N 2 1 335.452 -0.453 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CCN1CCNC1=O ZINC001322549590 839198960 /nfs/dbraw/zinc/19/89/60/839198960.db2.gz PUJAHTSTZIVTTB-HNNXBMFYSA-N 2 1 335.452 -0.453 20 30 EBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001322947849 839304299 /nfs/dbraw/zinc/30/42/99/839304299.db2.gz ZHMRXYAIAHPMAM-OAHLLOKOSA-N 2 1 337.468 -0.885 20 30 EBEDMP COCC#CC[N@H+]1CC[C@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001325138635 839795784 /nfs/dbraw/zinc/79/57/84/839795784.db2.gz UPKRSMOCYPJOKY-SFHVURJKSA-N 2 1 337.464 -0.079 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001325425744 839863688 /nfs/dbraw/zinc/86/36/88/839863688.db2.gz CBWVPQNFVQXPHT-KGLIPLIRSA-N 2 1 332.408 -0.342 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3CC(=O)NCC#N)C1 ZINC001325914568 839974226 /nfs/dbraw/zinc/97/42/26/839974226.db2.gz BHKGKKXAJIVGOI-KKUMJFAQSA-N 2 1 333.436 -0.357 20 30 EBEDMP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CC(=O)NCC#N)C1 ZINC001325914568 839974232 /nfs/dbraw/zinc/97/42/32/839974232.db2.gz BHKGKKXAJIVGOI-KKUMJFAQSA-N 2 1 333.436 -0.357 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CC(=O)NCC#N)C1 ZINC001325914568 839974239 /nfs/dbraw/zinc/97/42/39/839974239.db2.gz BHKGKKXAJIVGOI-KKUMJFAQSA-N 2 1 333.436 -0.357 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(=O)NCC#N)C1 ZINC001325914568 839974246 /nfs/dbraw/zinc/97/42/46/839974246.db2.gz BHKGKKXAJIVGOI-KKUMJFAQSA-N 2 1 333.436 -0.357 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(=O)NCC#N)C1 ZINC001325914568 839974252 /nfs/dbraw/zinc/97/42/52/839974252.db2.gz BHKGKKXAJIVGOI-KKUMJFAQSA-N 2 1 333.436 -0.357 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(CCO)CC[NH2+]Cc2ccon2)CC1 ZINC001326147458 840047613 /nfs/dbraw/zinc/04/76/13/840047613.db2.gz CYEZUKBDYMYJSL-UHFFFAOYSA-N 2 1 334.420 -0.070 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001330363789 841175701 /nfs/dbraw/zinc/17/57/01/841175701.db2.gz KGHMATGPWOOPCA-PHZGNYQRSA-N 2 1 347.463 -0.204 20 30 EBEDMP N#CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001330363789 841175707 /nfs/dbraw/zinc/17/57/07/841175707.db2.gz KGHMATGPWOOPCA-PHZGNYQRSA-N 2 1 347.463 -0.204 20 30 EBEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001335570621 842306018 /nfs/dbraw/zinc/30/60/18/842306018.db2.gz PRUQHZMRIJJEOZ-AWEZNQCLSA-N 2 1 336.436 -0.074 20 30 EBEDMP C=C(C)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001691414706 1125858332 /nfs/dbraw/zinc/85/83/32/1125858332.db2.gz BUADEEQPLGRVHO-CYBMUJFWSA-N 2 1 335.408 -0.205 20 30 EBEDMP C=C(C)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001691414706 1125858334 /nfs/dbraw/zinc/85/83/34/1125858334.db2.gz BUADEEQPLGRVHO-CYBMUJFWSA-N 2 1 335.408 -0.205 20 30 EBEDMP C#CCNC(=O)C[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001481170298 1125933309 /nfs/dbraw/zinc/93/33/09/1125933309.db2.gz LKSPMSYLAZYAEW-MRXNPFEDSA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CCNC(=O)C[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001481170298 1125933310 /nfs/dbraw/zinc/93/33/10/1125933310.db2.gz LKSPMSYLAZYAEW-MRXNPFEDSA-N 2 1 332.448 -0.342 20 30 EBEDMP C=CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)Cn2cc[nH+]c2C)C1=O ZINC001482793487 1126292621 /nfs/dbraw/zinc/29/26/21/1126292621.db2.gz PYSYAYSEESVKCS-UONOGXRCSA-N 2 1 335.408 -0.955 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001483136495 1126344708 /nfs/dbraw/zinc/34/47/08/1126344708.db2.gz UUTXYWYLRNJVBB-ILXRZTDVSA-N 2 1 330.436 -0.043 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001483136495 1126344709 /nfs/dbraw/zinc/34/47/09/1126344709.db2.gz UUTXYWYLRNJVBB-ILXRZTDVSA-N 2 1 330.436 -0.043 20 30 EBEDMP C=CCN1CC[C@@H]([NH2+]C2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1=O ZINC001483724733 1126464363 /nfs/dbraw/zinc/46/43/63/1126464363.db2.gz RLIGPQWHGUITAY-KGLIPLIRSA-N 2 1 336.436 -0.658 20 30 EBEDMP C=CCN1CC[C@@H]([NH2+]C2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1=O ZINC001483724733 1126464364 /nfs/dbraw/zinc/46/43/64/1126464364.db2.gz RLIGPQWHGUITAY-KGLIPLIRSA-N 2 1 336.436 -0.658 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001483948630 1126492689 /nfs/dbraw/zinc/49/26/89/1126492689.db2.gz JRMVJVFTVKMWBB-HNNXBMFYSA-N 2 1 336.436 -0.961 20 30 EBEDMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@]1(O)CC[N@@H+](CC#CCOC)C1 ZINC001484220953 1126530643 /nfs/dbraw/zinc/53/06/43/1126530643.db2.gz GMLUGLCKHXRZLR-RDJZCZTQSA-N 2 1 343.443 -0.131 20 30 EBEDMP COCC#CC[N@@H+]1CCC[C@](CO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001484444009 1126581108 /nfs/dbraw/zinc/58/11/08/1126581108.db2.gz PNLCTUOFPLFCNG-SFHVURJKSA-N 2 1 337.464 -0.079 20 30 EBEDMP COCC#CC[N@H+]1CCC[C@](CO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001484444009 1126581109 /nfs/dbraw/zinc/58/11/09/1126581109.db2.gz PNLCTUOFPLFCNG-SFHVURJKSA-N 2 1 337.464 -0.079 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001484531491 1126602005 /nfs/dbraw/zinc/60/20/05/1126602005.db2.gz VVSUNXLYHUYIEL-AWEZNQCLSA-N 2 1 332.408 -0.341 20 30 EBEDMP COCC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001484704873 1126623965 /nfs/dbraw/zinc/62/39/65/1126623965.db2.gz QUSTWRSOOHYDKR-ZWKOTPCHSA-N 2 1 348.491 -0.194 20 30 EBEDMP COCC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001484704873 1126623966 /nfs/dbraw/zinc/62/39/66/1126623966.db2.gz QUSTWRSOOHYDKR-ZWKOTPCHSA-N 2 1 348.491 -0.194 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2cncc2C)CC1 ZINC001484718360 1126625923 /nfs/dbraw/zinc/62/59/23/1126625923.db2.gz OVSSTSVJZWMNKQ-HNNXBMFYSA-N 2 1 331.420 -0.088 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC001485568874 1126754379 /nfs/dbraw/zinc/75/43/79/1126754379.db2.gz GWEZNKBVDRUDDX-HOTGVXAUSA-N 2 1 346.475 -0.096 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC001485568874 1126754413 /nfs/dbraw/zinc/75/44/13/1126754413.db2.gz GWEZNKBVDRUDDX-HOTGVXAUSA-N 2 1 346.475 -0.096 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC001486159292 1127051981 /nfs/dbraw/zinc/05/19/81/1127051981.db2.gz FRCPKQOAXGEJIC-KSSFIOAISA-N 2 1 345.447 -0.165 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC001486159292 1127051986 /nfs/dbraw/zinc/05/19/86/1127051986.db2.gz FRCPKQOAXGEJIC-KSSFIOAISA-N 2 1 345.447 -0.165 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1CC#C ZINC001490208463 1129127230 /nfs/dbraw/zinc/12/72/30/1129127230.db2.gz JJBQYGXKXBCLEO-HOTGVXAUSA-N 2 1 332.448 -0.340 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1CC#C ZINC001490208463 1129127232 /nfs/dbraw/zinc/12/72/32/1129127232.db2.gz JJBQYGXKXBCLEO-HOTGVXAUSA-N 2 1 332.448 -0.340 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001490208463 1129127234 /nfs/dbraw/zinc/12/72/34/1129127234.db2.gz JJBQYGXKXBCLEO-HOTGVXAUSA-N 2 1 332.448 -0.340 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001490208463 1129127235 /nfs/dbraw/zinc/12/72/35/1129127235.db2.gz JJBQYGXKXBCLEO-HOTGVXAUSA-N 2 1 332.448 -0.340 20 30 EBEDMP COCC#CCN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001490476240 1129185771 /nfs/dbraw/zinc/18/57/71/1129185771.db2.gz CTCPFMLLRZJJKH-QGZVFWFLSA-N 2 1 336.480 -0.288 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001490664764 1129243050 /nfs/dbraw/zinc/24/30/50/1129243050.db2.gz MKFLCFURHRAZFH-HRCADAONSA-N 2 1 334.464 -0.050 20 30 EBEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCNC(=O)c1ccc(O)cc1 ZINC000264108517 379244729 /nfs/dbraw/zinc/24/47/29/379244729.db2.gz QCFAEMBQYXNIBJ-UHFFFAOYSA-N 2 1 349.435 -0.251 20 30 EBEDMP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000491166763 415370461 /nfs/dbraw/zinc/37/04/61/415370461.db2.gz UJPQMRFRGNBXQH-UHFFFAOYSA-N 2 1 334.424 -0.546 20 30 EBEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000867966772 584420813 /nfs/dbraw/zinc/42/08/13/584420813.db2.gz UFBZSMYBUWBOKJ-INIZCTEOSA-N 2 1 327.388 -0.707 20 30 EBEDMP CC1(C)COCCN1CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000170914933 649978693 /nfs/dbraw/zinc/97/86/93/649978693.db2.gz JVZPPICSMYCDSN-UHFFFAOYSA-N 2 1 327.473 -0.276 20 30 EBEDMP C[NH+]=C(NCC[N@H+](C)C1CC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262580634 649987804 /nfs/dbraw/zinc/98/78/04/649987804.db2.gz QJPUWXWNOVLWPR-HNNXBMFYSA-N 2 1 337.468 -0.021 20 30 EBEDMP C[NH+]=C(NCC[N@@H+](C)C1CC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262580634 649987806 /nfs/dbraw/zinc/98/78/06/649987806.db2.gz QJPUWXWNOVLWPR-HNNXBMFYSA-N 2 1 337.468 -0.021 20 30 EBEDMP CC[NH+]1CCN(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000303886649 649992853 /nfs/dbraw/zinc/99/28/53/649992853.db2.gz KLIXAVDCNXRYPL-UHFFFAOYSA-N 3 1 326.489 -0.750 20 30 EBEDMP C[C@H](CNC(=[NH2+])NCCCN1CCOCC1)C[NH+]1CCOCC1 ZINC000304754443 649994147 /nfs/dbraw/zinc/99/41/47/649994147.db2.gz LWQSJNYOCWRSLB-OAHLLOKOSA-N 2 1 327.473 -0.419 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C#N)C1 ZINC000912535970 650207009 /nfs/dbraw/zinc/20/70/09/650207009.db2.gz PRVYXVGCMVCPFL-KKUMJFAQSA-N 2 1 333.436 -0.547 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H](C#N)C2)C1 ZINC000912535970 650207010 /nfs/dbraw/zinc/20/70/10/650207010.db2.gz PRVYXVGCMVCPFL-KKUMJFAQSA-N 2 1 333.436 -0.547 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](C#N)C2)C1 ZINC000912535970 650207012 /nfs/dbraw/zinc/20/70/12/650207012.db2.gz PRVYXVGCMVCPFL-KKUMJFAQSA-N 2 1 333.436 -0.547 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000938170794 652116007 /nfs/dbraw/zinc/11/60/07/652116007.db2.gz MVWYWJMPHNLBMC-HOTGVXAUSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000938170794 652116011 /nfs/dbraw/zinc/11/60/11/652116011.db2.gz MVWYWJMPHNLBMC-HOTGVXAUSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000941413875 652723100 /nfs/dbraw/zinc/72/31/00/652723100.db2.gz IDORWMQTPHFZLE-FUHWJXTLSA-N 2 1 346.475 -0.299 20 30 EBEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000941413875 652723102 /nfs/dbraw/zinc/72/31/02/652723102.db2.gz IDORWMQTPHFZLE-FUHWJXTLSA-N 2 1 346.475 -0.299 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000940543486 653208258 /nfs/dbraw/zinc/20/82/58/653208258.db2.gz LWFCVUUICBIBOQ-CVEARBPZSA-N 2 1 332.448 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000940543486 653208269 /nfs/dbraw/zinc/20/82/69/653208269.db2.gz LWFCVUUICBIBOQ-CVEARBPZSA-N 2 1 332.448 -0.103 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000954317852 719665045 /nfs/dbraw/zinc/66/50/45/719665045.db2.gz AQLFXBPTSTUMLO-INIZCTEOSA-N 2 1 346.475 -0.048 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+]([C@@H]3CCN(C)C3=O)C2)CC1 ZINC000970920060 725342104 /nfs/dbraw/zinc/34/21/04/725342104.db2.gz IORVJYFLTRDBHD-WMLDXEAASA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+]([C@H](C)C(=O)NC)C2)CC1 ZINC000970921710 725342220 /nfs/dbraw/zinc/34/22/20/725342220.db2.gz RQUDURZMPBSMDM-UONOGXRCSA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cncn2C)C1 ZINC001051660132 735299464 /nfs/dbraw/zinc/29/94/64/735299464.db2.gz MCUSFJWVXZJYBL-IRXDYDNUSA-N 2 1 345.447 -0.165 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cncn2C)C1 ZINC001051660132 735299466 /nfs/dbraw/zinc/29/94/66/735299466.db2.gz MCUSFJWVXZJYBL-IRXDYDNUSA-N 2 1 345.447 -0.165 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)CC1 ZINC000992508166 725805537 /nfs/dbraw/zinc/80/55/37/725805537.db2.gz LLTFRBMKKQRBPO-CRAIPNDOSA-N 2 1 332.448 -0.070 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000996444093 726394859 /nfs/dbraw/zinc/39/48/59/726394859.db2.gz RHLWXTBOFXSNAF-HOCLYGCPSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000996444093 726394863 /nfs/dbraw/zinc/39/48/63/726394863.db2.gz RHLWXTBOFXSNAF-HOCLYGCPSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000996444093 726394866 /nfs/dbraw/zinc/39/48/66/726394866.db2.gz RHLWXTBOFXSNAF-HOCLYGCPSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000996444093 726394869 /nfs/dbraw/zinc/39/48/69/726394869.db2.gz RHLWXTBOFXSNAF-HOCLYGCPSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001001217211 726597132 /nfs/dbraw/zinc/59/71/32/726597132.db2.gz AHAJMHGKUBHYBY-HOTGVXAUSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001001217211 726597133 /nfs/dbraw/zinc/59/71/33/726597133.db2.gz AHAJMHGKUBHYBY-HOTGVXAUSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001001217211 726597134 /nfs/dbraw/zinc/59/71/34/726597134.db2.gz AHAJMHGKUBHYBY-HOTGVXAUSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001001217211 726597135 /nfs/dbraw/zinc/59/71/35/726597135.db2.gz AHAJMHGKUBHYBY-HOTGVXAUSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2cncn2C)CC1 ZINC001011314155 727513419 /nfs/dbraw/zinc/51/34/19/727513419.db2.gz FYXYFBLLDCQYOG-INIZCTEOSA-N 2 1 343.431 -0.269 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001016337330 728458539 /nfs/dbraw/zinc/45/85/39/728458539.db2.gz QZTZLCLXUKSVIH-LSDHHAIUSA-N 2 1 346.431 -0.673 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001016337330 728458541 /nfs/dbraw/zinc/45/85/41/728458541.db2.gz QZTZLCLXUKSVIH-LSDHHAIUSA-N 2 1 346.431 -0.673 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001020250865 729114684 /nfs/dbraw/zinc/11/46/84/729114684.db2.gz VDXVUDRNZSEIOZ-XUXIUFHCSA-N 2 1 332.404 -0.874 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001020250865 729114686 /nfs/dbraw/zinc/11/46/86/729114686.db2.gz VDXVUDRNZSEIOZ-XUXIUFHCSA-N 2 1 332.404 -0.874 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)CC1 ZINC001021092073 729282110 /nfs/dbraw/zinc/28/21/10/729282110.db2.gz DOGBDRHZKBRNPD-HDJSIYSDSA-N 2 1 331.424 -0.708 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001022220464 729468406 /nfs/dbraw/zinc/46/84/06/729468406.db2.gz FPMFHPDIWQFEJA-FZKCQIBNSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001022220464 729468407 /nfs/dbraw/zinc/46/84/07/729468407.db2.gz FPMFHPDIWQFEJA-FZKCQIBNSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001026893908 730168612 /nfs/dbraw/zinc/16/86/12/730168612.db2.gz QIVAJMQUMCOBLU-HOCLYGCPSA-N 2 1 330.436 -0.149 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001026893908 730168613 /nfs/dbraw/zinc/16/86/13/730168613.db2.gz QIVAJMQUMCOBLU-HOCLYGCPSA-N 2 1 330.436 -0.149 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)CC1 ZINC001032206444 730829683 /nfs/dbraw/zinc/82/96/83/730829683.db2.gz BIJGGTCMDVXAFN-INIZCTEOSA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+](CC(N)=O)C3)C2)CC1 ZINC001041845445 732237631 /nfs/dbraw/zinc/23/76/31/732237631.db2.gz ZMMQYPSVHVLZCJ-SFHVURJKSA-N 2 1 332.448 -0.259 20 30 EBEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001047383946 734167398 /nfs/dbraw/zinc/16/73/98/734167398.db2.gz MAQJMSACBZUXHZ-HOTGVXAUSA-N 2 1 333.436 -0.415 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001047638069 734294758 /nfs/dbraw/zinc/29/47/58/734294758.db2.gz AIOIVIFLSXDUPG-SZMVWBNQSA-N 2 1 349.475 -0.128 20 30 EBEDMP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001055542860 736376293 /nfs/dbraw/zinc/37/62/93/736376293.db2.gz LRMZIQKHBMFTOJ-HIFRSBDPSA-N 2 1 335.452 -0.063 20 30 EBEDMP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001055542860 736376296 /nfs/dbraw/zinc/37/62/96/736376296.db2.gz LRMZIQKHBMFTOJ-HIFRSBDPSA-N 2 1 335.452 -0.063 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC)C[C@@H]2n2ccnn2)CC1 ZINC001070102369 740699907 /nfs/dbraw/zinc/69/99/07/740699907.db2.gz GOMFJCFXOJZDLU-CVEARBPZSA-N 2 1 330.436 -0.015 20 30 EBEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001070217824 740753855 /nfs/dbraw/zinc/75/38/55/740753855.db2.gz ULQCJVMOACSALT-LVQVYYBASA-N 2 1 348.451 -0.085 20 30 EBEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001070217824 740753856 /nfs/dbraw/zinc/75/38/56/740753856.db2.gz ULQCJVMOACSALT-LVQVYYBASA-N 2 1 348.451 -0.085 20 30 EBEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070478278 740843256 /nfs/dbraw/zinc/84/32/56/740843256.db2.gz SGXCUHBFQRULSI-IMJJTQAJSA-N 2 1 333.436 -0.179 20 30 EBEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070478278 740843261 /nfs/dbraw/zinc/84/32/61/740843261.db2.gz SGXCUHBFQRULSI-IMJJTQAJSA-N 2 1 333.436 -0.179 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC000983902116 807115878 /nfs/dbraw/zinc/11/58/78/807115878.db2.gz RGQCNPLFIOZGBH-DZKIICNBSA-N 2 1 330.436 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC000983902116 807115882 /nfs/dbraw/zinc/11/58/82/807115882.db2.gz RGQCNPLFIOZGBH-DZKIICNBSA-N 2 1 330.436 -0.103 20 30 EBEDMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214888829 810288616 /nfs/dbraw/zinc/28/86/16/810288616.db2.gz CWCBUQTVRHUSTF-RBSFLKMASA-N 2 1 335.452 -0.063 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CC(N)=O)C2)CC1 ZINC001036902390 811307153 /nfs/dbraw/zinc/30/71/53/811307153.db2.gz JXNZHSLLYWWJLN-JKSUJKDBSA-N 2 1 332.448 -0.260 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](C[C@@H](O)COC)C[C@H]32)CC1 ZINC001222044376 811586124 /nfs/dbraw/zinc/58/61/24/811586124.db2.gz ZRKNVOHTLJMIRR-KZNAEPCWSA-N 2 1 349.475 -0.128 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224130183 811746337 /nfs/dbraw/zinc/74/63/37/811746337.db2.gz PRKCTZDPGPKURT-OAGGEKHMSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224130183 811746344 /nfs/dbraw/zinc/74/63/44/811746344.db2.gz PRKCTZDPGPKURT-OAGGEKHMSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130183 811746350 /nfs/dbraw/zinc/74/63/50/811746350.db2.gz PRKCTZDPGPKURT-OAGGEKHMSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130183 811746355 /nfs/dbraw/zinc/74/63/55/811746355.db2.gz PRKCTZDPGPKURT-OAGGEKHMSA-N 2 1 332.448 -0.390 20 30 EBEDMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC#N)[C@H]2C1 ZINC001224245801 811750638 /nfs/dbraw/zinc/75/06/38/811750638.db2.gz FXVKSZMBMQSFIF-CABCVRRESA-N 2 1 335.452 -0.111 20 30 EBEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC#N)[C@H]2C1 ZINC001224245801 811750642 /nfs/dbraw/zinc/75/06/42/811750642.db2.gz FXVKSZMBMQSFIF-CABCVRRESA-N 2 1 335.452 -0.111 20 30 EBEDMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001224245801 811750646 /nfs/dbraw/zinc/75/06/46/811750646.db2.gz FXVKSZMBMQSFIF-CABCVRRESA-N 2 1 335.452 -0.111 20 30 EBEDMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001224245801 811750652 /nfs/dbraw/zinc/75/06/52/811750652.db2.gz FXVKSZMBMQSFIF-CABCVRRESA-N 2 1 335.452 -0.111 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228992450 812009071 /nfs/dbraw/zinc/00/90/71/812009071.db2.gz SQGHPQBWLREIRA-UHFFFAOYSA-N 2 1 339.440 -0.470 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001230046573 812070694 /nfs/dbraw/zinc/07/06/94/812070694.db2.gz DUTRYRDCOIDARN-CQSZACIVSA-N 2 1 332.448 -0.199 20 30 EBEDMP C=CCNC(=O)C[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230048621 812070798 /nfs/dbraw/zinc/07/07/98/812070798.db2.gz KKIBGJNRFMSDIS-UHFFFAOYSA-N 2 1 326.441 -0.553 20 30 EBEDMP C[NH+](C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@H+](CC(=O)NCC#N)C1 ZINC001264032354 813142737 /nfs/dbraw/zinc/14/27/37/813142737.db2.gz KLVDCNYUSNPUMA-VGWMRTNUSA-N 2 1 347.463 -0.253 20 30 EBEDMP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001264085529 813149770 /nfs/dbraw/zinc/14/97/70/813149770.db2.gz QJTHTHPRXUSOBB-ILXRZTDVSA-N 2 1 333.436 -0.499 20 30 EBEDMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001264085529 813149773 /nfs/dbraw/zinc/14/97/73/813149773.db2.gz QJTHTHPRXUSOBB-ILXRZTDVSA-N 2 1 333.436 -0.499 20 30 EBEDMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001264085529 813149779 /nfs/dbraw/zinc/14/97/79/813149779.db2.gz QJTHTHPRXUSOBB-ILXRZTDVSA-N 2 1 333.436 -0.499 20 30 EBEDMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001264085529 813149784 /nfs/dbraw/zinc/14/97/84/813149784.db2.gz QJTHTHPRXUSOBB-ILXRZTDVSA-N 2 1 333.436 -0.499 20 30 EBEDMP N#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001267067712 813751395 /nfs/dbraw/zinc/75/13/95/813751395.db2.gz RMGKWQZZCDBXBU-PBHICJAKSA-N 2 1 333.436 -0.450 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001267494314 813916079 /nfs/dbraw/zinc/91/60/79/813916079.db2.gz RLQHREUYTAXQRR-GOEBONIOSA-N 2 1 334.464 -0.096 20 30 EBEDMP N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001268555435 814291501 /nfs/dbraw/zinc/29/15/01/814291501.db2.gz ITCIABUXLOFWOX-ZHAXYTGKSA-N 2 1 333.436 -0.095 20 30 EBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522902 814520057 /nfs/dbraw/zinc/52/00/57/814520057.db2.gz CFZYKFLTTVKZOT-ZACQAIPSSA-N 2 1 335.448 -0.186 20 30 EBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522902 814520065 /nfs/dbraw/zinc/52/00/65/814520065.db2.gz CFZYKFLTTVKZOT-ZACQAIPSSA-N 2 1 335.448 -0.186 20 30 EBEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522902 814520070 /nfs/dbraw/zinc/52/00/70/814520070.db2.gz CFZYKFLTTVKZOT-ZACQAIPSSA-N 2 1 335.448 -0.186 20 30 EBEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522902 814520076 /nfs/dbraw/zinc/52/00/76/814520076.db2.gz CFZYKFLTTVKZOT-ZACQAIPSSA-N 2 1 335.448 -0.186 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC2(O)C[NH+](CCCCOC)C2)CC1 ZINC001271392599 816095626 /nfs/dbraw/zinc/09/56/26/816095626.db2.gz BZJUHQGBQWQEJY-UHFFFAOYSA-N 2 1 337.464 -0.079 20 30 EBEDMP CC[C@H](C(=O)N[C@]1(CO)CCC[N@H+](CC#CCOC)C1)[NH+](C)C ZINC001271987241 816283442 /nfs/dbraw/zinc/28/34/42/816283442.db2.gz GEUNGIZATRUWPH-NVXWUHKLSA-N 2 1 325.453 -0.081 20 30 EBEDMP CC[C@H](C(=O)N[C@]1(CO)CCC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001271987241 816283447 /nfs/dbraw/zinc/28/34/47/816283447.db2.gz GEUNGIZATRUWPH-NVXWUHKLSA-N 2 1 325.453 -0.081 20 30 EBEDMP CC[C@@H](C(=O)N[C@]1(CO)CCC[N@H+](CC#CCOC)C1)[NH+](C)C ZINC001271987240 816284101 /nfs/dbraw/zinc/28/41/01/816284101.db2.gz GEUNGIZATRUWPH-DOTOQJQBSA-N 2 1 325.453 -0.081 20 30 EBEDMP CC[C@@H](C(=O)N[C@]1(CO)CCC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001271987240 816284106 /nfs/dbraw/zinc/28/41/06/816284106.db2.gz GEUNGIZATRUWPH-DOTOQJQBSA-N 2 1 325.453 -0.081 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001272216761 816356017 /nfs/dbraw/zinc/35/60/17/816356017.db2.gz XISXWCGVMXFDFN-HZPDHXFCSA-N 2 1 343.431 -0.136 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001272216761 816356026 /nfs/dbraw/zinc/35/60/26/816356026.db2.gz XISXWCGVMXFDFN-HZPDHXFCSA-N 2 1 343.431 -0.136 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC001273276942 816629119 /nfs/dbraw/zinc/62/91/19/816629119.db2.gz OFQJMALDSGJYID-CABCVRRESA-N 2 1 338.452 -0.410 20 30 EBEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@H](C[NH2+]CC#CCOC)C2)C1 ZINC001273359114 816653639 /nfs/dbraw/zinc/65/36/39/816653639.db2.gz SKPRPOAUUFMHGX-HZPDHXFCSA-N 2 1 339.436 -0.826 20 30 EBEDMP CC[N@H+]1CCO[C@@H](C(=O)N2CCO[C@H](C[NH2+]CC#CCOC)C2)C1 ZINC001273359114 816653642 /nfs/dbraw/zinc/65/36/42/816653642.db2.gz SKPRPOAUUFMHGX-HZPDHXFCSA-N 2 1 339.436 -0.826 20 30 EBEDMP C[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CC(=O)NCC#N ZINC001274654389 817060284 /nfs/dbraw/zinc/06/02/84/817060284.db2.gz OCCZAFXAIDGASN-KBPBESRZSA-N 2 1 333.436 -0.309 20 30 EBEDMP C[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CC(=O)NCC#N ZINC001274654389 817060289 /nfs/dbraw/zinc/06/02/89/817060289.db2.gz OCCZAFXAIDGASN-KBPBESRZSA-N 2 1 333.436 -0.309 20 30 EBEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCNS(C)(=O)=O ZINC001275573646 817252956 /nfs/dbraw/zinc/25/29/56/817252956.db2.gz FVQFXXSTCJKGGV-KBPBESRZSA-N 2 1 344.481 -0.930 20 30 EBEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCNS(C)(=O)=O ZINC001275573646 817252961 /nfs/dbraw/zinc/25/29/61/817252961.db2.gz FVQFXXSTCJKGGV-KBPBESRZSA-N 2 1 344.481 -0.930 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NCC#N)CC1 ZINC001276011726 817339176 /nfs/dbraw/zinc/33/91/76/817339176.db2.gz NONRVCYQPOLECO-CQSZACIVSA-N 2 1 333.436 -0.592 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NCC#N)CC1 ZINC001276011726 817339183 /nfs/dbraw/zinc/33/91/83/817339183.db2.gz NONRVCYQPOLECO-CQSZACIVSA-N 2 1 333.436 -0.592 20 30 EBEDMP C[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](CC(=O)NCC#N)C3)CC1 ZINC001276877578 817488844 /nfs/dbraw/zinc/48/88/44/817488844.db2.gz KVHXNTWXABCVMT-UHFFFAOYSA-N 2 1 347.463 -0.108 20 30 EBEDMP C[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@@H+](CC(=O)NCC#N)C3)CC1 ZINC001276877578 817488849 /nfs/dbraw/zinc/48/88/49/817488849.db2.gz KVHXNTWXABCVMT-UHFFFAOYSA-N 2 1 347.463 -0.108 20 30 EBEDMP C[N@@H+]1CC[C@H](C(=O)N2CC[C@]3(CC[NH+](CC(=O)NCC#N)C3)C2)C1 ZINC001277537568 817595950 /nfs/dbraw/zinc/59/59/50/817595950.db2.gz HIECXAWFWKAMAE-YOEHRIQHSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@]3(CC[NH+](CC(=O)NCC#N)C3)C2)C1 ZINC001277537568 817595959 /nfs/dbraw/zinc/59/59/59/817595959.db2.gz HIECXAWFWKAMAE-YOEHRIQHSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@]3(CC[N@H+](CC(=O)NCC#N)C3)C2)C1 ZINC001277537568 817595966 /nfs/dbraw/zinc/59/59/66/817595966.db2.gz HIECXAWFWKAMAE-YOEHRIQHSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@]3(CC[N@@H+](CC(=O)NCC#N)C3)C2)C1 ZINC001277537568 817595974 /nfs/dbraw/zinc/59/59/74/817595974.db2.gz HIECXAWFWKAMAE-YOEHRIQHSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@]3(CC[NH+](CC(=O)NCC#N)C3)C2)C1 ZINC001277537565 817596390 /nfs/dbraw/zinc/59/63/90/817596390.db2.gz HIECXAWFWKAMAE-PBHICJAKSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@]3(CC[NH+](CC(=O)NCC#N)C3)C2)C1 ZINC001277537565 817596397 /nfs/dbraw/zinc/59/63/97/817596397.db2.gz HIECXAWFWKAMAE-PBHICJAKSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@]3(CC[N@H+](CC(=O)NCC#N)C3)C2)C1 ZINC001277537565 817596403 /nfs/dbraw/zinc/59/64/03/817596403.db2.gz HIECXAWFWKAMAE-PBHICJAKSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@]3(CC[N@@H+](CC(=O)NCC#N)C3)C2)C1 ZINC001277537565 817596410 /nfs/dbraw/zinc/59/64/10/817596410.db2.gz HIECXAWFWKAMAE-PBHICJAKSA-N 2 1 333.436 -0.498 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001278139474 817708186 /nfs/dbraw/zinc/70/81/86/817708186.db2.gz SNGYGTDOXWEJGK-MELADBBJSA-N 2 1 326.441 -0.914 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001278756374 817809739 /nfs/dbraw/zinc/80/97/39/817809739.db2.gz OPYJAYHGAXVYHA-HUUCEWRRSA-N 2 1 338.452 -0.983 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001278756376 817810838 /nfs/dbraw/zinc/81/08/38/817810838.db2.gz OPYJAYHGAXVYHA-LSDHHAIUSA-N 2 1 338.452 -0.983 20 30 EBEDMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC#CCOC ZINC001278840696 817859498 /nfs/dbraw/zinc/85/94/98/817859498.db2.gz ZGAVYHJJZDQJSR-CVEARBPZSA-N 2 1 325.453 -0.081 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001279372778 817921388 /nfs/dbraw/zinc/92/13/88/817921388.db2.gz ZYCZSVDZQZCOEN-WCXIOVBPSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC001279372778 817921395 /nfs/dbraw/zinc/92/13/95/817921395.db2.gz ZYCZSVDZQZCOEN-WCXIOVBPSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001279372778 817921401 /nfs/dbraw/zinc/92/14/01/817921401.db2.gz ZYCZSVDZQZCOEN-WCXIOVBPSA-N 2 1 346.475 -0.001 20 30 EBEDMP COCC#CC[NH2+]CCOCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001279393116 817924343 /nfs/dbraw/zinc/92/43/43/817924343.db2.gz QMMDZDUCRXRTTG-OAHLLOKOSA-N 2 1 327.425 -0.969 20 30 EBEDMP COCC#CC[NH2+]CCOCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001279393116 817924348 /nfs/dbraw/zinc/92/43/48/817924348.db2.gz QMMDZDUCRXRTTG-OAHLLOKOSA-N 2 1 327.425 -0.969 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001279687050 817971249 /nfs/dbraw/zinc/97/12/49/817971249.db2.gz DKSILJBLHAIJAU-HNNXBMFYSA-N 2 1 332.448 -0.032 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001279687050 817971252 /nfs/dbraw/zinc/97/12/52/817971252.db2.gz DKSILJBLHAIJAU-HNNXBMFYSA-N 2 1 332.448 -0.032 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001279801272 817987772 /nfs/dbraw/zinc/98/77/72/817987772.db2.gz VGZHAQULTGJJFD-CABCVRRESA-N 2 1 338.452 -0.981 20 30 EBEDMP C[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC(=O)NCC#N ZINC001281674676 818258051 /nfs/dbraw/zinc/25/80/51/818258051.db2.gz IMOXKSAWRZHFJH-KBPBESRZSA-N 2 1 335.452 -0.063 20 30 EBEDMP C[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CC(=O)NCC#N ZINC001281674676 818258060 /nfs/dbraw/zinc/25/80/60/818258060.db2.gz IMOXKSAWRZHFJH-KBPBESRZSA-N 2 1 335.452 -0.063 20 30 EBEDMP C[NH+](C)CCC(=O)NCCC[NH+]1CCN(c2cncc(C#N)n2)CC1 ZINC001096258589 818758949 /nfs/dbraw/zinc/75/89/49/818758949.db2.gz APIWETIWXPLITQ-UHFFFAOYSA-N 2 1 345.451 -0.072 20 30 EBEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076298 820171019 /nfs/dbraw/zinc/17/10/19/820171019.db2.gz JDUUCQWYHGKPHF-GJZGRUSLSA-N 2 1 329.441 -0.681 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCOCC)C[C@@H]2O)CC1 ZINC001100122003 820251464 /nfs/dbraw/zinc/25/14/64/820251464.db2.gz JYKAIBUFKFRWDW-SJORKVTESA-N 2 1 337.464 -0.081 20 30 EBEDMP COCC#CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001100522824 820454719 /nfs/dbraw/zinc/45/47/19/820454719.db2.gz IDUUQPFDUKXVBS-YMVOSSCXSA-N 2 1 347.459 -0.016 20 30 EBEDMP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101172023 820708873 /nfs/dbraw/zinc/70/88/73/820708873.db2.gz SQZLBOZWPBARHI-CPUCHLNUSA-N 2 1 333.436 -0.499 20 30 EBEDMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101172023 820708876 /nfs/dbraw/zinc/70/88/76/820708876.db2.gz SQZLBOZWPBARHI-CPUCHLNUSA-N 2 1 333.436 -0.499 20 30 EBEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101172023 820708882 /nfs/dbraw/zinc/70/88/82/820708882.db2.gz SQZLBOZWPBARHI-CPUCHLNUSA-N 2 1 333.436 -0.499 20 30 EBEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101172023 820708884 /nfs/dbraw/zinc/70/88/84/820708884.db2.gz SQZLBOZWPBARHI-CPUCHLNUSA-N 2 1 333.436 -0.499 20 30 EBEDMP C[NH+](C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1)C1CC1 ZINC001101267774 820742186 /nfs/dbraw/zinc/74/21/86/820742186.db2.gz RRECKWNYNDKWBI-KYJSFNMBSA-N 2 1 347.463 -0.253 20 30 EBEDMP C[NH+](C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1)C1CC1 ZINC001101267774 820742188 /nfs/dbraw/zinc/74/21/88/820742188.db2.gz RRECKWNYNDKWBI-KYJSFNMBSA-N 2 1 347.463 -0.253 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345045 820760051 /nfs/dbraw/zinc/76/00/51/820760051.db2.gz QWBRAZZVPHWCLN-QAPCUYQASA-N 2 1 334.464 -0.142 20 30 EBEDMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101459706 820796990 /nfs/dbraw/zinc/79/69/90/820796990.db2.gz QOTAICJNQOKGKA-CPUCHLNUSA-N 2 1 333.436 -0.642 20 30 EBEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101459706 820796996 /nfs/dbraw/zinc/79/69/96/820796996.db2.gz QOTAICJNQOKGKA-CPUCHLNUSA-N 2 1 333.436 -0.642 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101459706 820797003 /nfs/dbraw/zinc/79/70/03/820797003.db2.gz QOTAICJNQOKGKA-CPUCHLNUSA-N 2 1 333.436 -0.642 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101459706 820797010 /nfs/dbraw/zinc/79/70/10/820797010.db2.gz QOTAICJNQOKGKA-CPUCHLNUSA-N 2 1 333.436 -0.642 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2C[C@H](O)COC)CC1 ZINC001316609680 821814667 /nfs/dbraw/zinc/81/46/67/821814667.db2.gz FHSRQZHDDYAAKI-IRXDYDNUSA-N 2 1 337.464 -0.128 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001317082194 821997889 /nfs/dbraw/zinc/99/78/89/821997889.db2.gz XLSZZTKNFCKFPG-JHJVBQTASA-N 2 1 347.419 -0.276 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001317200618 822033777 /nfs/dbraw/zinc/03/37/77/822033777.db2.gz SIDRNVFGNODQIJ-HNNXBMFYSA-N 2 1 331.420 -0.088 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001106148404 822193011 /nfs/dbraw/zinc/19/30/11/822193011.db2.gz NTHGSAVAAOMUPA-KLHDSHLOSA-N 2 1 334.464 -0.240 20 30 EBEDMP C#CC[NH+]1CCN(CCN(C)C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001317822980 822219406 /nfs/dbraw/zinc/21/94/06/822219406.db2.gz NXXZFAMMSAHRJL-UHFFFAOYSA-N 2 1 336.480 -0.194 20 30 EBEDMP CC[C@H](CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)[NH2+]CC(=O)NCC#N ZINC001318568734 822337517 /nfs/dbraw/zinc/33/75/17/822337517.db2.gz CFHQXXVCDXIBCG-ZIAGYGMSSA-N 2 1 346.435 -0.122 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NCC(F)(F)F ZINC001129790577 828670245 /nfs/dbraw/zinc/67/02/45/828670245.db2.gz BYWZMPMUQTVNGI-RYUDHWBXSA-N 2 1 348.369 -0.143 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NCC(F)(F)F ZINC001129790577 828670252 /nfs/dbraw/zinc/67/02/52/828670252.db2.gz BYWZMPMUQTVNGI-RYUDHWBXSA-N 2 1 348.369 -0.143 20 30 EBEDMP C[N@@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NCC#N)C3)C1 ZINC001111983665 825367421 /nfs/dbraw/zinc/36/74/21/825367421.db2.gz ODNZGUYAYUAQPJ-KEYYUXOJSA-N 2 1 333.436 -0.451 20 30 EBEDMP C[N@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NCC#N)C3)C1 ZINC001111983665 825367428 /nfs/dbraw/zinc/36/74/28/825367428.db2.gz ODNZGUYAYUAQPJ-KEYYUXOJSA-N 2 1 333.436 -0.451 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NCC#N)C3)C1 ZINC001111983665 825367440 /nfs/dbraw/zinc/36/74/40/825367440.db2.gz ODNZGUYAYUAQPJ-KEYYUXOJSA-N 2 1 333.436 -0.451 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NCC#N)C3)C1 ZINC001111983665 825367446 /nfs/dbraw/zinc/36/74/46/825367446.db2.gz ODNZGUYAYUAQPJ-KEYYUXOJSA-N 2 1 333.436 -0.451 20 30 EBEDMP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC#N)C2 ZINC001112008026 825370811 /nfs/dbraw/zinc/37/08/11/825370811.db2.gz PFPVJTXXWAYEKZ-YOEHRIQHSA-N 2 1 335.452 -0.063 20 30 EBEDMP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC#N)C2 ZINC001112008026 825370801 /nfs/dbraw/zinc/37/08/01/825370801.db2.gz PFPVJTXXWAYEKZ-YOEHRIQHSA-N 2 1 335.452 -0.063 20 30 EBEDMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001112008026 825370819 /nfs/dbraw/zinc/37/08/19/825370819.db2.gz PFPVJTXXWAYEKZ-YOEHRIQHSA-N 2 1 335.452 -0.063 20 30 EBEDMP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001112008026 825370829 /nfs/dbraw/zinc/37/08/29/825370829.db2.gz PFPVJTXXWAYEKZ-YOEHRIQHSA-N 2 1 335.452 -0.063 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001179719671 833004474 /nfs/dbraw/zinc/00/44/74/833004474.db2.gz NOZAJMDVLOPNMK-GJZGRUSLSA-N 2 1 338.452 -0.410 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001114041445 826121530 /nfs/dbraw/zinc/12/15/30/826121530.db2.gz LELCLZRZLAHAPC-COMQUAJESA-N 2 1 349.435 -0.861 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC001114041445 826121531 /nfs/dbraw/zinc/12/15/31/826121531.db2.gz LELCLZRZLAHAPC-COMQUAJESA-N 2 1 349.435 -0.861 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001114041445 826121532 /nfs/dbraw/zinc/12/15/32/826121532.db2.gz LELCLZRZLAHAPC-COMQUAJESA-N 2 1 349.435 -0.861 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001114041445 826121533 /nfs/dbraw/zinc/12/15/33/826121533.db2.gz LELCLZRZLAHAPC-COMQUAJESA-N 2 1 349.435 -0.861 20 30 EBEDMP CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21)[NH+]1CCCCC1 ZINC001114287905 826195561 /nfs/dbraw/zinc/19/55/61/826195561.db2.gz RORQSNRZMQNGKE-FOLVSLTJSA-N 2 1 347.463 -0.063 20 30 EBEDMP CC(C)(C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21)[NH+]1CCCCC1 ZINC001114287905 826195565 /nfs/dbraw/zinc/19/55/65/826195565.db2.gz RORQSNRZMQNGKE-FOLVSLTJSA-N 2 1 347.463 -0.063 20 30 EBEDMP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21)[NH+](CC)CC ZINC001114826182 826349050 /nfs/dbraw/zinc/34/90/50/826349050.db2.gz FMESAYFIGZZQLZ-CTASWTNQSA-N 2 1 335.452 -0.207 20 30 EBEDMP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21)[NH+](CC)CC ZINC001114826182 826349055 /nfs/dbraw/zinc/34/90/55/826349055.db2.gz FMESAYFIGZZQLZ-CTASWTNQSA-N 2 1 335.452 -0.207 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001114841311 826353637 /nfs/dbraw/zinc/35/36/37/826353637.db2.gz TUUKAWYFFIXAGD-AIANPOQGSA-N 2 1 346.475 -0.097 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001114841311 826353643 /nfs/dbraw/zinc/35/36/43/826353643.db2.gz TUUKAWYFFIXAGD-AIANPOQGSA-N 2 1 346.475 -0.097 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001114841311 826353651 /nfs/dbraw/zinc/35/36/51/826353651.db2.gz TUUKAWYFFIXAGD-AIANPOQGSA-N 2 1 346.475 -0.097 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CCC ZINC001115156421 826434460 /nfs/dbraw/zinc/43/44/60/826434460.db2.gz NUGQHJSNTZBLJW-AIANPOQGSA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CCC ZINC001115156421 826434462 /nfs/dbraw/zinc/43/44/62/826434462.db2.gz NUGQHJSNTZBLJW-AIANPOQGSA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CCC ZINC001115156421 826434463 /nfs/dbraw/zinc/43/44/63/826434463.db2.gz NUGQHJSNTZBLJW-AIANPOQGSA-N 2 1 334.464 -0.097 20 30 EBEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001115245433 826471453 /nfs/dbraw/zinc/47/14/53/826471453.db2.gz QQNQVBMMFFVKMC-NCOADZHNSA-N 2 1 335.448 -0.349 20 30 EBEDMP CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21)[NH+]1CCCC1 ZINC001115306400 826504160 /nfs/dbraw/zinc/50/41/60/826504160.db2.gz NXYIXUMGCVGQHM-ABFRBSLYSA-N 2 1 347.463 -0.207 20 30 EBEDMP CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21)[NH+]1CCCC1 ZINC001115306400 826504163 /nfs/dbraw/zinc/50/41/63/826504163.db2.gz NXYIXUMGCVGQHM-ABFRBSLYSA-N 2 1 347.463 -0.207 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)CC1 ZINC001124025725 827746400 /nfs/dbraw/zinc/74/64/00/827746400.db2.gz PDXDIKPQEDTTCX-FUHWJXTLSA-N 2 1 335.448 -0.327 20 30 EBEDMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001185993666 833382363 /nfs/dbraw/zinc/38/23/63/833382363.db2.gz MEGFALXSENHIBK-CYBMUJFWSA-N 2 1 332.408 -0.163 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001211175920 837403356 /nfs/dbraw/zinc/40/33/56/837403356.db2.gz DSYRYYLDUVJUDY-CABCVRRESA-N 2 1 338.452 -0.410 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001211175920 837403359 /nfs/dbraw/zinc/40/33/59/837403359.db2.gz DSYRYYLDUVJUDY-CABCVRRESA-N 2 1 338.452 -0.410 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001147567451 830364524 /nfs/dbraw/zinc/36/45/24/830364524.db2.gz ZMQLRINMTJPZKX-OAHLLOKOSA-N 2 1 345.447 -0.498 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001147567451 830364531 /nfs/dbraw/zinc/36/45/31/830364531.db2.gz ZMQLRINMTJPZKX-OAHLLOKOSA-N 2 1 345.447 -0.498 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001147582901 830366848 /nfs/dbraw/zinc/36/68/48/830366848.db2.gz ILHABIWXXWEAHK-HUUCEWRRSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001147582901 830366853 /nfs/dbraw/zinc/36/68/53/830366853.db2.gz ILHABIWXXWEAHK-HUUCEWRRSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582901 830366861 /nfs/dbraw/zinc/36/68/61/830366861.db2.gz ILHABIWXXWEAHK-HUUCEWRRSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582901 830366869 /nfs/dbraw/zinc/36/68/69/830366869.db2.gz ILHABIWXXWEAHK-HUUCEWRRSA-N 2 1 332.448 -0.390 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147877557 830425042 /nfs/dbraw/zinc/42/50/42/830425042.db2.gz LKSRMEVFZYQCAZ-LBPRGKRZSA-N 2 1 325.413 -0.954 20 30 EBEDMP COCC#CC[N@@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150589719 830940126 /nfs/dbraw/zinc/94/01/26/830940126.db2.gz VSDXPKNVWFIRAA-INIZCTEOSA-N 2 1 341.452 -0.579 20 30 EBEDMP COCC#CC[N@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150589719 830940129 /nfs/dbraw/zinc/94/01/29/830940129.db2.gz VSDXPKNVWFIRAA-INIZCTEOSA-N 2 1 341.452 -0.579 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151073928 831022444 /nfs/dbraw/zinc/02/24/44/831022444.db2.gz SPTANQJNEAPSMR-NEPJUHHUSA-N 2 1 325.413 -0.956 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NCC ZINC001160197957 831824671 /nfs/dbraw/zinc/82/46/71/831824671.db2.gz PMWPQBOBTZXFRG-ZDUSSCGKSA-N 2 1 337.424 -0.974 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NCC ZINC001160197957 831824675 /nfs/dbraw/zinc/82/46/75/831824675.db2.gz PMWPQBOBTZXFRG-ZDUSSCGKSA-N 2 1 337.424 -0.974 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001160209566 831824988 /nfs/dbraw/zinc/82/49/88/831824988.db2.gz QRQJLZCKXWUZBD-GJZGRUSLSA-N 2 1 330.436 -0.041 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001160209566 831824994 /nfs/dbraw/zinc/82/49/94/831824994.db2.gz QRQJLZCKXWUZBD-GJZGRUSLSA-N 2 1 330.436 -0.041 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161041825 831916143 /nfs/dbraw/zinc/91/61/43/831916143.db2.gz MPIRICKGJQZFKH-CYBMUJFWSA-N 2 1 339.440 -0.422 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161858013 831997308 /nfs/dbraw/zinc/99/73/08/831997308.db2.gz UZKYXEJSJXQZSF-MRXNPFEDSA-N 2 1 332.448 -0.174 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001161858013 831997311 /nfs/dbraw/zinc/99/73/11/831997311.db2.gz UZKYXEJSJXQZSF-MRXNPFEDSA-N 2 1 332.448 -0.174 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001161858013 831997315 /nfs/dbraw/zinc/99/73/15/831997315.db2.gz UZKYXEJSJXQZSF-MRXNPFEDSA-N 2 1 332.448 -0.174 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001161858013 831997319 /nfs/dbraw/zinc/99/73/19/831997319.db2.gz UZKYXEJSJXQZSF-MRXNPFEDSA-N 2 1 332.448 -0.174 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@H+](CC(N)=O)CC2)CC1 ZINC001161946839 832005703 /nfs/dbraw/zinc/00/57/03/832005703.db2.gz HRCMUSLFAHYDOD-UHFFFAOYSA-N 2 1 332.448 -0.045 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](CC(N)=O)CC2)CC1 ZINC001161946839 832005711 /nfs/dbraw/zinc/00/57/11/832005711.db2.gz HRCMUSLFAHYDOD-UHFFFAOYSA-N 2 1 332.448 -0.045 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001166727611 832285696 /nfs/dbraw/zinc/28/56/96/832285696.db2.gz CFPXKMKHHROKLO-UHFFFAOYSA-N 2 1 347.419 -0.271 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001167237216 832318919 /nfs/dbraw/zinc/31/89/19/832318919.db2.gz XHQGIEFWDPUYCT-LSDHHAIUSA-N 2 1 334.464 -0.190 20 30 EBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)CCCC[NH+]1CCOCC1 ZINC001168390378 832418395 /nfs/dbraw/zinc/41/83/95/832418395.db2.gz CNNCYLQUGOPRND-UHFFFAOYSA-N 2 1 340.468 -0.113 20 30 EBEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)CC[NH+]2CCOCC2)C1=O ZINC001168417565 832419378 /nfs/dbraw/zinc/41/93/78/832419378.db2.gz UYKVUUPZLQJBMI-HNNXBMFYSA-N 2 1 338.452 -0.409 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168441073 832420055 /nfs/dbraw/zinc/42/00/55/832420055.db2.gz AGTMAWXUWUATCV-CQSZACIVSA-N 2 1 326.441 -0.505 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001354470775 832490728 /nfs/dbraw/zinc/49/07/28/832490728.db2.gz IGPBDYGHAILZTL-GOEBONIOSA-N 2 1 334.464 -0.096 20 30 EBEDMP C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001178107262 832827353 /nfs/dbraw/zinc/82/73/53/832827353.db2.gz NVJJFIQWYDRRBV-OAHLLOKOSA-N 2 1 340.468 -0.115 20 30 EBEDMP C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001178107262 832827362 /nfs/dbraw/zinc/82/73/62/832827362.db2.gz NVJJFIQWYDRRBV-OAHLLOKOSA-N 2 1 340.468 -0.115 20 30 EBEDMP N#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001201053080 836086332 /nfs/dbraw/zinc/08/63/32/836086332.db2.gz KGZHMRCCGMPDOA-AWEZNQCLSA-N 2 1 344.419 -0.019 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001201093518 836092463 /nfs/dbraw/zinc/09/24/63/836092463.db2.gz BNPKYTRNYZNCHG-WBVHZDCISA-N 2 1 344.459 -0.198 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001201093518 836092475 /nfs/dbraw/zinc/09/24/75/836092475.db2.gz BNPKYTRNYZNCHG-WBVHZDCISA-N 2 1 344.459 -0.198 20 30 EBEDMP CC[N@@H+](C)CCC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001201801195 836194487 /nfs/dbraw/zinc/19/44/87/836194487.db2.gz UUNCBGXWXJVHPC-CQSZACIVSA-N 2 1 339.440 -0.825 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)CCCO1 ZINC001201924422 836217038 /nfs/dbraw/zinc/21/70/38/836217038.db2.gz LFCQWFAZHOZZGL-HNNXBMFYSA-N 2 1 340.468 -0.163 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCCO1 ZINC001202067986 836246310 /nfs/dbraw/zinc/24/63/10/836246310.db2.gz HOKPJUMZCURMOO-OAHLLOKOSA-N 2 1 347.419 -0.852 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCCO1 ZINC001202070861 836249103 /nfs/dbraw/zinc/24/91/03/836249103.db2.gz WIVZIAURNWBFCL-HNNXBMFYSA-N 2 1 349.435 -0.299 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001205335234 836559430 /nfs/dbraw/zinc/55/94/30/836559430.db2.gz WBHUGOGGZBKLOM-GDBMZVCRSA-N 2 1 334.464 -0.096 20 30 EBEDMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001206274999 836634945 /nfs/dbraw/zinc/63/49/45/836634945.db2.gz NSUQEDBCIWXKPW-CQSZACIVSA-N 2 1 335.452 -0.204 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208435207 837038706 /nfs/dbraw/zinc/03/87/06/837038706.db2.gz XBDZRSLYSBFERZ-QLFBSQMISA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208435207 837038720 /nfs/dbraw/zinc/03/87/20/837038720.db2.gz XBDZRSLYSBFERZ-QLFBSQMISA-N 2 1 334.464 -0.097 20 30 EBEDMP C[C@H]1C[C@@H](C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C2CC2)CC[N@H+]1C ZINC001323068163 839340980 /nfs/dbraw/zinc/34/09/80/839340980.db2.gz UKVKFAQNWDMVIV-QEJZJMRPSA-N 2 1 335.452 -0.159 20 30 EBEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](C[C@@H](O)COC)CC1 ZINC001324440030 839657848 /nfs/dbraw/zinc/65/78/48/839657848.db2.gz QDVZJPMKROIZQY-NVXWUHKLSA-N 2 1 337.464 -0.128 20 30 EBEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NCC#N)C1 ZINC001324769654 839713010 /nfs/dbraw/zinc/71/30/10/839713010.db2.gz GAWIGCTWKFLVDT-YOEHRIQHSA-N 2 1 335.452 -0.061 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001325466815 839870982 /nfs/dbraw/zinc/87/09/82/839870982.db2.gz OMFOLHUFFMCTHQ-GXTWGEPZSA-N 2 1 332.408 -0.342 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001326989379 840262208 /nfs/dbraw/zinc/26/22/08/840262208.db2.gz IQZFNSSORYAFRA-CVEARBPZSA-N 2 1 348.447 -0.820 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001326989379 840262216 /nfs/dbraw/zinc/26/22/16/840262216.db2.gz IQZFNSSORYAFRA-CVEARBPZSA-N 2 1 348.447 -0.820 20 30 EBEDMP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001331427698 841406486 /nfs/dbraw/zinc/40/64/86/841406486.db2.gz VPDNSGILFYJJDO-HZPDHXFCSA-N 2 1 337.468 -0.080 20 30 EBEDMP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001331427696 841406689 /nfs/dbraw/zinc/40/66/89/841406689.db2.gz VPDNSGILFYJJDO-HOTGVXAUSA-N 2 1 337.468 -0.080 20 30 EBEDMP COCC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001331802911 841502882 /nfs/dbraw/zinc/50/28/82/841502882.db2.gz FLEHVZNUMBXVSR-JKSUJKDBSA-N 2 1 325.453 -0.034 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC001691350255 1125853195 /nfs/dbraw/zinc/85/31/95/1125853195.db2.gz UCIPYGLPTAGDEU-CABCVRRESA-N 2 1 343.493 -0.187 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC001691350255 1125853196 /nfs/dbraw/zinc/85/31/96/1125853196.db2.gz UCIPYGLPTAGDEU-CABCVRRESA-N 2 1 343.493 -0.187 20 30 EBEDMP Cc1[nH+]cc2n1C[C@H](C(=O)N(C)CC[NH2+]CC(=O)NCC#N)CC2 ZINC001691450906 1125881022 /nfs/dbraw/zinc/88/10/22/1125881022.db2.gz JVDQCUMYDUWWTI-CYBMUJFWSA-N 2 1 332.408 -0.558 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001691478421 1125885642 /nfs/dbraw/zinc/88/56/42/1125885642.db2.gz CUDLUWJJMJSJEA-AEGPPILISA-N 2 1 331.420 -0.186 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001481109298 1125923351 /nfs/dbraw/zinc/92/33/51/1125923351.db2.gz PBVRZJGGLPKGJF-ZDUSSCGKSA-N 2 1 339.440 -0.612 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001482760612 1126279824 /nfs/dbraw/zinc/27/98/24/1126279824.db2.gz CSNWVJQZVCQOTB-IHRRRGAJSA-N 2 1 326.441 -0.914 20 30 EBEDMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001482796647 1126293651 /nfs/dbraw/zinc/29/36/51/1126293651.db2.gz BGVODUOEJQNAKC-IAGOWNOFSA-N 2 1 346.431 -0.154 20 30 EBEDMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001482796647 1126293653 /nfs/dbraw/zinc/29/36/53/1126293653.db2.gz BGVODUOEJQNAKC-IAGOWNOFSA-N 2 1 346.431 -0.154 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001691570396 1126321949 /nfs/dbraw/zinc/32/19/49/1126321949.db2.gz DVTFMHMYPKXVQX-CVEARBPZSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)CCN2CCNC2=O)CC1 ZINC001483420315 1126426054 /nfs/dbraw/zinc/42/60/54/1126426054.db2.gz HSALZFYAVOIAAJ-OAHLLOKOSA-N 2 1 349.479 -0.207 20 30 EBEDMP CC[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CC(=O)NCC#N)C2)C1)[NH+](C)C ZINC001483843457 1126481511 /nfs/dbraw/zinc/48/15/11/1126481511.db2.gz UTBABDDKPQROGA-PBHICJAKSA-N 2 1 335.452 -0.109 20 30 EBEDMP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCOCCO)CC1 ZINC001483989534 1126495838 /nfs/dbraw/zinc/49/58/38/1126495838.db2.gz NGDMLQNAANKCOE-INIZCTEOSA-N 2 1 337.464 -0.127 20 30 EBEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C1CCCC1 ZINC001483997803 1126496224 /nfs/dbraw/zinc/49/62/24/1126496224.db2.gz YRCRESFBOXXHHQ-GJZGRUSLSA-N 2 1 335.452 -0.015 20 30 EBEDMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@]1(O)CC[N@@H+](CC#CCOC)C1 ZINC001484220951 1126530291 /nfs/dbraw/zinc/53/02/91/1126530291.db2.gz GMLUGLCKHXRZLR-DOTOQJQBSA-N 2 1 343.443 -0.131 20 30 EBEDMP COCC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001484704868 1126623898 /nfs/dbraw/zinc/62/38/98/1126623898.db2.gz QUSTWRSOOHYDKR-QZTJIDSGSA-N 2 1 348.491 -0.194 20 30 EBEDMP COCC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001484704868 1126623900 /nfs/dbraw/zinc/62/39/00/1126623900.db2.gz QUSTWRSOOHYDKR-QZTJIDSGSA-N 2 1 348.491 -0.194 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1CC(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001485098305 1126673670 /nfs/dbraw/zinc/67/36/70/1126673670.db2.gz UEWHTDNVPYFEGM-UHFFFAOYSA-N 2 1 347.419 -0.416 20 30 EBEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001485627305 1126769389 /nfs/dbraw/zinc/76/93/89/1126769389.db2.gz MSGKHAJVFXDDPH-QKDCVEJESA-N 2 1 331.420 -0.212 20 30 EBEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001485627305 1126769444 /nfs/dbraw/zinc/76/94/44/1126769444.db2.gz MSGKHAJVFXDDPH-QKDCVEJESA-N 2 1 331.420 -0.212 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001485997620 1126960638 /nfs/dbraw/zinc/96/06/38/1126960638.db2.gz PNFGTRIFWVLRSO-CQSZACIVSA-N 2 1 338.452 -0.933 20 30 EBEDMP N#CCNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001490605307 1129235128 /nfs/dbraw/zinc/23/51/28/1129235128.db2.gz AVQJKVDIKPHWAT-AWEZNQCLSA-N 2 1 345.447 -0.307 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001491043215 1130303379 /nfs/dbraw/zinc/30/33/79/1130303379.db2.gz IKLBJMQBAHKAOG-FRRDWIJNSA-N 2 1 337.424 -0.671 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001166707843 1130516357 /nfs/dbraw/zinc/51/63/57/1130516357.db2.gz JQNFATFTTQFBSZ-DZGCQCFKSA-N 2 1 345.447 -0.012 20 30 EBEDMP CN(C)C(=O)[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C(=O)N(C)C)C2)C1 ZINC000411946147 379125409 /nfs/dbraw/zinc/12/54/09/379125409.db2.gz KZWROUNXHRKPRU-HOTGVXAUSA-N 2 1 334.464 -0.190 20 30 EBEDMP C[C@@H]1CC[NH+](CC(=O)NCC#CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000654991819 420847412 /nfs/dbraw/zinc/84/74/12/420847412.db2.gz JTYCPLGQCFBNHA-IYBDPMFKSA-N 2 1 334.464 -0.094 20 30 EBEDMP C[C@@H]1CC[N@@H+](CC(=O)NCC#CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000654991819 420847417 /nfs/dbraw/zinc/84/74/17/420847417.db2.gz JTYCPLGQCFBNHA-IYBDPMFKSA-N 2 1 334.464 -0.094 20 30 EBEDMP C[C@@H]1CC[N@H+](CC(=O)NCC#CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000654991819 420847421 /nfs/dbraw/zinc/84/74/21/420847421.db2.gz JTYCPLGQCFBNHA-IYBDPMFKSA-N 2 1 334.464 -0.094 20 30 EBEDMP C[NH+]=C(NCCN1CCCS1(=O)=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083167492 649971973 /nfs/dbraw/zinc/97/19/73/649971973.db2.gz ABLCOZBAMTVBIU-GFCCVEGCSA-N 2 1 329.470 -0.576 20 30 EBEDMP C[NH+]=C(NCCN1CCCS1(=O)=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083167492 649971977 /nfs/dbraw/zinc/97/19/77/649971977.db2.gz ABLCOZBAMTVBIU-GFCCVEGCSA-N 2 1 329.470 -0.576 20 30 EBEDMP C[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N1CCO[C@H](COC)C1 ZINC000179269729 649979952 /nfs/dbraw/zinc/97/99/52/649979952.db2.gz KWDHECNBDJJRRK-HNNXBMFYSA-N 2 1 327.473 -0.454 20 30 EBEDMP C[NH+]=C(NCc1nnc(C)n1C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261712506 649984776 /nfs/dbraw/zinc/98/47/76/649984776.db2.gz KDQCVJXCCAXEHZ-CQSZACIVSA-N 2 1 335.456 -0.147 20 30 EBEDMP C[NH+]=C(NCc1nnc2n1CCC2)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261872141 649985606 /nfs/dbraw/zinc/98/56/06/649985606.db2.gz ZUPQPEBPJBRGJN-CQSZACIVSA-N 2 1 347.467 -0.046 20 30 EBEDMP CN(C)C(=O)CNC(=[NH+]C1CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000262282139 649986881 /nfs/dbraw/zinc/98/68/81/649986881.db2.gz JIONSHVARXGEKB-CQSZACIVSA-N 2 1 337.468 -0.163 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000937980701 652021907 /nfs/dbraw/zinc/02/19/07/652021907.db2.gz PTHRQRZDDSVCDO-PMPSAXMXSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000937980701 652021911 /nfs/dbraw/zinc/02/19/11/652021911.db2.gz PTHRQRZDDSVCDO-PMPSAXMXSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000937980701 652021917 /nfs/dbraw/zinc/02/19/17/652021917.db2.gz PTHRQRZDDSVCDO-PMPSAXMXSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000937980701 652021920 /nfs/dbraw/zinc/02/19/20/652021920.db2.gz PTHRQRZDDSVCDO-PMPSAXMXSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000938170033 652115389 /nfs/dbraw/zinc/11/53/89/652115389.db2.gz BMXHLRHGJHZOGA-HRCADAONSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000938170033 652115392 /nfs/dbraw/zinc/11/53/92/652115392.db2.gz BMXHLRHGJHZOGA-HRCADAONSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000938170033 652115395 /nfs/dbraw/zinc/11/53/95/652115395.db2.gz BMXHLRHGJHZOGA-HRCADAONSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000938170033 652115399 /nfs/dbraw/zinc/11/53/99/652115399.db2.gz BMXHLRHGJHZOGA-HRCADAONSA-N 2 1 332.448 -0.105 20 30 EBEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000941414724 652723958 /nfs/dbraw/zinc/72/39/58/652723958.db2.gz YJYMVTJAVLNWJB-WBVHZDCISA-N 2 1 334.464 -0.136 20 30 EBEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000941414724 652723960 /nfs/dbraw/zinc/72/39/60/652723960.db2.gz YJYMVTJAVLNWJB-WBVHZDCISA-N 2 1 334.464 -0.136 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]3CC2)CC1 ZINC000946902201 653258856 /nfs/dbraw/zinc/25/88/56/653258856.db2.gz LDWKHNWMGDJOHT-CALCHBBNSA-N 2 1 346.475 -0.013 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C[NH+]1CCCC1 ZINC000950755356 654247594 /nfs/dbraw/zinc/24/75/94/654247594.db2.gz KBWRHZYHWVHKAQ-HOTGVXAUSA-N 2 1 332.448 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C[NH+]1CCCC1 ZINC000950755356 654247596 /nfs/dbraw/zinc/24/75/96/654247596.db2.gz KBWRHZYHWVHKAQ-HOTGVXAUSA-N 2 1 332.448 -0.103 20 30 EBEDMP C#CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000958468486 722371763 /nfs/dbraw/zinc/37/17/63/722371763.db2.gz YKTHISCVORQICN-GOEBONIOSA-N 2 1 333.436 -0.510 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]32)CC1 ZINC000962773840 723321418 /nfs/dbraw/zinc/32/14/18/723321418.db2.gz KWILUKWYPSOFFG-QLPKVWCKSA-N 2 1 332.448 -0.534 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccnn2C)C1 ZINC001051659950 735299441 /nfs/dbraw/zinc/29/94/41/735299441.db2.gz HIGDOHPLCSERCF-IRXDYDNUSA-N 2 1 345.447 -0.165 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccnn2C)C1 ZINC001051659950 735299443 /nfs/dbraw/zinc/29/94/43/735299443.db2.gz HIGDOHPLCSERCF-IRXDYDNUSA-N 2 1 345.447 -0.165 20 30 EBEDMP C#CCN1CC[NH+](C2CCC(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000996764147 726426035 /nfs/dbraw/zinc/42/60/35/726426035.db2.gz IUADSGUYWRPHBP-DAWZGUTISA-N 2 1 348.491 -0.005 20 30 EBEDMP C#CCN1CC[NH+](C2CCC(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000996764147 726426036 /nfs/dbraw/zinc/42/60/36/726426036.db2.gz IUADSGUYWRPHBP-DAWZGUTISA-N 2 1 348.491 -0.005 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC000999401481 726518582 /nfs/dbraw/zinc/51/85/82/726518582.db2.gz XVKGENMKGZGQOK-HOTGVXAUSA-N 2 1 332.448 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC000999401481 726518583 /nfs/dbraw/zinc/51/85/83/726518583.db2.gz XVKGENMKGZGQOK-HOTGVXAUSA-N 2 1 332.448 -0.103 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001002830039 726649411 /nfs/dbraw/zinc/64/94/11/726649411.db2.gz PXULWFAKVRQLNH-JKSUJKDBSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001002830039 726649412 /nfs/dbraw/zinc/64/94/12/726649412.db2.gz PXULWFAKVRQLNH-JKSUJKDBSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001002830039 726649413 /nfs/dbraw/zinc/64/94/13/726649413.db2.gz PXULWFAKVRQLNH-JKSUJKDBSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001002830039 726649414 /nfs/dbraw/zinc/64/94/14/726649414.db2.gz PXULWFAKVRQLNH-JKSUJKDBSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001011314208 727513461 /nfs/dbraw/zinc/51/34/61/727513461.db2.gz JKJKBDAWYCZHCR-INIZCTEOSA-N 2 1 344.459 -0.149 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001011314208 727513464 /nfs/dbraw/zinc/51/34/64/727513464.db2.gz JKJKBDAWYCZHCR-INIZCTEOSA-N 2 1 344.459 -0.149 20 30 EBEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001025708574 730077092 /nfs/dbraw/zinc/07/70/92/730077092.db2.gz YYWJHMJXRTYEBM-JKJDWNRSSA-N 2 1 332.448 -0.086 20 30 EBEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001025708574 730077094 /nfs/dbraw/zinc/07/70/94/730077094.db2.gz YYWJHMJXRTYEBM-JKJDWNRSSA-N 2 1 332.448 -0.086 20 30 EBEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001025708574 730077097 /nfs/dbraw/zinc/07/70/97/730077097.db2.gz YYWJHMJXRTYEBM-JKJDWNRSSA-N 2 1 332.448 -0.086 20 30 EBEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001025708576 730077491 /nfs/dbraw/zinc/07/74/91/730077491.db2.gz YYWJHMJXRTYEBM-XFIYOXNOSA-N 2 1 332.448 -0.086 20 30 EBEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001025708576 730077492 /nfs/dbraw/zinc/07/74/92/730077492.db2.gz YYWJHMJXRTYEBM-XFIYOXNOSA-N 2 1 332.448 -0.086 20 30 EBEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001025708576 730077494 /nfs/dbraw/zinc/07/74/94/730077494.db2.gz YYWJHMJXRTYEBM-XFIYOXNOSA-N 2 1 332.448 -0.086 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]Cc3nnn(C)n3)C2)CC1 ZINC001027233618 730202287 /nfs/dbraw/zinc/20/22/87/730202287.db2.gz GQJDCWSAPXAYAR-CQSZACIVSA-N 2 1 345.451 -0.507 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001028601429 730320780 /nfs/dbraw/zinc/32/07/80/730320780.db2.gz OCHHMQUQCSKMEJ-CVEARBPZSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001028601429 730320783 /nfs/dbraw/zinc/32/07/83/730320783.db2.gz OCHHMQUQCSKMEJ-CVEARBPZSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC001028601429 730320786 /nfs/dbraw/zinc/32/07/86/730320786.db2.gz OCHHMQUQCSKMEJ-CVEARBPZSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC001028601429 730320789 /nfs/dbraw/zinc/32/07/89/730320789.db2.gz OCHHMQUQCSKMEJ-CVEARBPZSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001034962018 731169001 /nfs/dbraw/zinc/16/90/01/731169001.db2.gz DJGNHKMLNHAGCT-OAGGEKHMSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001034962018 731169002 /nfs/dbraw/zinc/16/90/02/731169002.db2.gz DJGNHKMLNHAGCT-OAGGEKHMSA-N 2 1 332.448 -0.057 20 30 EBEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001047463630 734207850 /nfs/dbraw/zinc/20/78/50/734207850.db2.gz LJRLGNYRCUWPID-BFKWJSRZSA-N 2 1 333.432 -0.624 20 30 EBEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001047463630 734207852 /nfs/dbraw/zinc/20/78/52/734207852.db2.gz LJRLGNYRCUWPID-BFKWJSRZSA-N 2 1 333.432 -0.624 20 30 EBEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001047463630 734207853 /nfs/dbraw/zinc/20/78/53/734207853.db2.gz LJRLGNYRCUWPID-BFKWJSRZSA-N 2 1 333.432 -0.624 20 30 EBEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001047463630 734207855 /nfs/dbraw/zinc/20/78/55/734207855.db2.gz LJRLGNYRCUWPID-BFKWJSRZSA-N 2 1 333.432 -0.624 20 30 EBEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001047559119 734253490 /nfs/dbraw/zinc/25/34/90/734253490.db2.gz RGOZFJGCUAJNML-HOTGVXAUSA-N 2 1 333.436 -0.415 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](CC)C(N)=O)C[C@@H]3C2)CC1 ZINC001049235170 734695003 /nfs/dbraw/zinc/69/50/03/734695003.db2.gz LLHAJLOCJIJSOB-BBWFWOEESA-N 2 1 346.475 -0.014 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@H](C)C(N)=O)CC2 ZINC001050549903 734923515 /nfs/dbraw/zinc/92/35/15/734923515.db2.gz GDPUGIOIHIPMRM-CABCVRRESA-N 2 1 332.448 -0.118 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@H](C)C(N)=O)CC2 ZINC001050549903 734923516 /nfs/dbraw/zinc/92/35/16/734923516.db2.gz GDPUGIOIHIPMRM-CABCVRRESA-N 2 1 332.448 -0.118 20 30 EBEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1cncn1C ZINC001070702127 740922835 /nfs/dbraw/zinc/92/28/35/740922835.db2.gz NSJSOYZDJQLITL-HZPDHXFCSA-N 2 1 345.447 -0.340 20 30 EBEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001073816272 741749658 /nfs/dbraw/zinc/74/96/58/741749658.db2.gz YWMZHIRJFKGVAG-MRXNPFEDSA-N 2 1 333.436 -0.101 20 30 EBEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001073816272 741749661 /nfs/dbraw/zinc/74/96/61/741749661.db2.gz YWMZHIRJFKGVAG-MRXNPFEDSA-N 2 1 333.436 -0.101 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)CC1 ZINC001076604717 742509732 /nfs/dbraw/zinc/50/97/32/742509732.db2.gz SNNPBPQCNWPFMJ-VNQPRFMTSA-N 2 1 332.448 -0.262 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)CC1 ZINC001076604717 742509737 /nfs/dbraw/zinc/50/97/37/742509737.db2.gz SNNPBPQCNWPFMJ-VNQPRFMTSA-N 2 1 332.448 -0.262 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nncn2C)C1 ZINC000983907099 807118024 /nfs/dbraw/zinc/11/80/24/807118024.db2.gz WHHQJIQOYHZKSG-KKUMJFAQSA-N 2 1 330.436 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nncn2C)C1 ZINC000983907099 807118026 /nfs/dbraw/zinc/11/80/26/807118026.db2.gz WHHQJIQOYHZKSG-KKUMJFAQSA-N 2 1 330.436 -0.103 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3nnnn3C)C[C@@H]2C)CC1 ZINC000989829734 808605752 /nfs/dbraw/zinc/60/57/52/808605752.db2.gz VPTFZIPAHCWNJK-DZGCQCFKSA-N 2 1 345.451 -0.366 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3nnnn3C)C[C@H]2C)CC1 ZINC000989829736 808605964 /nfs/dbraw/zinc/60/59/64/808605964.db2.gz VPTFZIPAHCWNJK-UKRRQHHQSA-N 2 1 345.451 -0.366 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC)C1 ZINC001214880694 810287737 /nfs/dbraw/zinc/28/77/37/810287737.db2.gz QJZPZSPZUUQWNS-OAGGEKHMSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC)C1 ZINC001214880694 810287740 /nfs/dbraw/zinc/28/77/40/810287740.db2.gz QJZPZSPZUUQWNS-OAGGEKHMSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001216758126 810386307 /nfs/dbraw/zinc/38/63/07/810386307.db2.gz XQAOSDJLKXHGKF-VNHYZAJKSA-N 2 1 331.420 -0.234 20 30 EBEDMP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CN(C)CCO3)[C@H]2C1 ZINC001217595355 810444002 /nfs/dbraw/zinc/44/40/02/810444002.db2.gz NSSWQSRBZRPJQW-ARFHVFGLSA-N 2 1 339.436 -0.569 20 30 EBEDMP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CN(C)CCO3)[C@H]2C1 ZINC001217595355 810444003 /nfs/dbraw/zinc/44/40/03/810444003.db2.gz NSSWQSRBZRPJQW-ARFHVFGLSA-N 2 1 339.436 -0.569 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]2O)CC1 ZINC001221079142 811366670 /nfs/dbraw/zinc/36/66/70/811366670.db2.gz KPYXXWNINNZKGA-MSOLQXFVSA-N 2 1 349.475 -0.081 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]2O)CC1 ZINC001221079142 811366679 /nfs/dbraw/zinc/36/66/79/811366679.db2.gz KPYXXWNINNZKGA-MSOLQXFVSA-N 2 1 349.475 -0.081 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001221974061 811573737 /nfs/dbraw/zinc/57/37/37/811573737.db2.gz XSQLATGFFKLUFS-BZUAXINKSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001221974061 811573744 /nfs/dbraw/zinc/57/37/44/811573744.db2.gz XSQLATGFFKLUFS-BZUAXINKSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001221974061 811573750 /nfs/dbraw/zinc/57/37/50/811573750.db2.gz XSQLATGFFKLUFS-BZUAXINKSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001221974061 811573754 /nfs/dbraw/zinc/57/37/54/811573754.db2.gz XSQLATGFFKLUFS-BZUAXINKSA-N 2 1 334.464 -0.001 20 30 EBEDMP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)NCC#N)[C@H]3C2)C1 ZINC001223912071 811736289 /nfs/dbraw/zinc/73/62/89/811736289.db2.gz MVCZXULFSWKWHF-OAGGEKHMSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)NCC#N)[C@H]3C2)C1 ZINC001223912071 811736295 /nfs/dbraw/zinc/73/62/95/811736295.db2.gz MVCZXULFSWKWHF-OAGGEKHMSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3CC[N@H+](CC(=O)NCC#N)[C@H]3C2)C1 ZINC001223912071 811736304 /nfs/dbraw/zinc/73/63/04/811736304.db2.gz MVCZXULFSWKWHF-OAGGEKHMSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NCC#N)[C@H]3C2)C1 ZINC001223912071 811736314 /nfs/dbraw/zinc/73/63/14/811736314.db2.gz MVCZXULFSWKWHF-OAGGEKHMSA-N 2 1 347.463 -0.109 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001225426533 811809038 /nfs/dbraw/zinc/80/90/38/811809038.db2.gz BJIQLURQRJLQDY-ZBFHGGJFSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001225526067 811815513 /nfs/dbraw/zinc/81/55/13/811815513.db2.gz WVSGELHXHVWDCF-RBSFLKMASA-N 2 1 336.436 -0.917 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001225526067 811815523 /nfs/dbraw/zinc/81/55/23/811815523.db2.gz WVSGELHXHVWDCF-RBSFLKMASA-N 2 1 336.436 -0.917 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001263851420 813128700 /nfs/dbraw/zinc/12/87/00/813128700.db2.gz JCHLUKQIWPEBOW-QLFBSQMISA-N 2 1 338.452 -0.506 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001263851420 813128708 /nfs/dbraw/zinc/12/87/08/813128708.db2.gz JCHLUKQIWPEBOW-QLFBSQMISA-N 2 1 338.452 -0.506 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001263878072 813132864 /nfs/dbraw/zinc/13/28/64/813132864.db2.gz KRPJUOAGYLTCGJ-FZKCQIBNSA-N 2 1 334.464 -0.050 20 30 EBEDMP C[NH+](C)CCC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CC(=O)NCC#N ZINC001264032351 813143122 /nfs/dbraw/zinc/14/31/22/813143122.db2.gz KLVDCNYUSNPUMA-FZKCQIBNSA-N 2 1 347.463 -0.253 20 30 EBEDMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001264393737 813169987 /nfs/dbraw/zinc/16/99/87/813169987.db2.gz JRUWWJVPEQUTBZ-ZNMIVQPWSA-N 2 1 335.452 -0.015 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001265608711 813350195 /nfs/dbraw/zinc/35/01/95/813350195.db2.gz BQEPNFSPIHALDL-BZUAXINKSA-N 2 1 334.464 -0.096 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001266823704 813678627 /nfs/dbraw/zinc/67/86/27/813678627.db2.gz UFWZRIHBRCKJPF-CQSZACIVSA-N 2 1 332.408 -0.341 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001267530930 813922619 /nfs/dbraw/zinc/92/26/19/813922619.db2.gz HXOGRMUAJHYAHP-GOEBONIOSA-N 2 1 347.463 -0.204 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1C ZINC001268291505 814174249 /nfs/dbraw/zinc/17/42/49/814174249.db2.gz MWDRBVKSZXTXGS-GJZGRUSLSA-N 2 1 331.420 -0.185 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(=O)NCC ZINC001268691048 814352981 /nfs/dbraw/zinc/35/29/81/814352981.db2.gz ZSRZBZKZNCJXML-STQMWFEESA-N 2 1 337.424 -0.976 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(=O)NCC ZINC001268691048 814352990 /nfs/dbraw/zinc/35/29/90/814352990.db2.gz ZSRZBZKZNCJXML-STQMWFEESA-N 2 1 337.424 -0.976 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H](O)COC)CC1 ZINC001268988633 814465124 /nfs/dbraw/zinc/46/51/24/814465124.db2.gz SOTYAANIFASSNR-YESZJQIVSA-N 2 1 335.448 -0.376 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001086109829 816232767 /nfs/dbraw/zinc/23/27/67/816232767.db2.gz GNJIBKMSMCSLCI-LZWOXQAQSA-N 2 1 330.436 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001086109829 816232774 /nfs/dbraw/zinc/23/27/74/816232774.db2.gz GNJIBKMSMCSLCI-LZWOXQAQSA-N 2 1 330.436 -0.103 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001086109840 816232842 /nfs/dbraw/zinc/23/28/42/816232842.db2.gz GSJSVFGLBMJEMK-XGUBFFRZSA-N 2 1 346.431 -0.626 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001086109840 816232847 /nfs/dbraw/zinc/23/28/47/816232847.db2.gz GSJSVFGLBMJEMK-XGUBFFRZSA-N 2 1 346.431 -0.626 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001274918655 817121271 /nfs/dbraw/zinc/12/12/71/817121271.db2.gz BGBGRYAIUOUJCP-OCCSQVGLSA-N 2 1 331.420 -0.402 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)[C@H]2CCC(=O)NC2=O)CC1 ZINC001275729734 817284375 /nfs/dbraw/zinc/28/43/75/817284375.db2.gz OQFLHSZJXSWFSI-HIFRSBDPSA-N 2 1 348.447 -0.427 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1CC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001277537342 817596328 /nfs/dbraw/zinc/59/63/28/817596328.db2.gz AMFYKSSGSHCAJF-KRWDZBQOSA-N 2 1 345.447 -0.354 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001277537342 817596334 /nfs/dbraw/zinc/59/63/34/817596334.db2.gz AMFYKSSGSHCAJF-KRWDZBQOSA-N 2 1 345.447 -0.354 20 30 EBEDMP COCC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001278154825 817711718 /nfs/dbraw/zinc/71/17/18/817711718.db2.gz ICRGKPNYEAXQOY-CABCVRRESA-N 2 1 334.420 -0.530 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001278685936 817794302 /nfs/dbraw/zinc/79/43/02/817794302.db2.gz FVHVDFIQHRBBOJ-YJBOKZPZSA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001278685936 817794307 /nfs/dbraw/zinc/79/43/07/817794307.db2.gz FVHVDFIQHRBBOJ-YJBOKZPZSA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001278685936 817794313 /nfs/dbraw/zinc/79/43/13/817794313.db2.gz FVHVDFIQHRBBOJ-YJBOKZPZSA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001278685936 817794320 /nfs/dbraw/zinc/79/43/20/817794320.db2.gz FVHVDFIQHRBBOJ-YJBOKZPZSA-N 2 1 334.464 -0.094 20 30 EBEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC#CCOC ZINC001278840703 817859346 /nfs/dbraw/zinc/85/93/46/817859346.db2.gz ZGAVYHJJZDQJSR-JKSUJKDBSA-N 2 1 325.453 -0.081 20 30 EBEDMP COCC#CC[NH2+][C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001281191910 818071824 /nfs/dbraw/zinc/07/18/24/818071824.db2.gz JJHZQPQYUREGGW-KRWDZBQOSA-N 2 1 334.420 -0.216 20 30 EBEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CC(=O)NCC#N)C1 ZINC001282014993 818332726 /nfs/dbraw/zinc/33/27/26/818332726.db2.gz SBTZEUSGHOIVGJ-YMAMQOFZSA-N 2 1 335.452 -0.015 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC001282497389 818441844 /nfs/dbraw/zinc/44/18/44/818441844.db2.gz NOTQEJGQQRVVDP-GDBMZVCRSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001282887297 818516156 /nfs/dbraw/zinc/51/61/56/818516156.db2.gz WDGLBAXZOBXYJZ-OSYLJGHBSA-N 2 1 346.475 -0.094 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001282888924 818516170 /nfs/dbraw/zinc/51/61/70/818516170.db2.gz NIGKEHHCBLBVPV-QKDCVEJESA-N 2 1 330.432 -0.874 20 30 EBEDMP COCC#CC[NH2+][C@H](CO)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001283804552 818961591 /nfs/dbraw/zinc/96/15/91/818961591.db2.gz MNQVIAQHKJKJBV-WMLDXEAASA-N 2 1 343.443 -0.085 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC001283913081 819027652 /nfs/dbraw/zinc/02/76/52/819027652.db2.gz HYWMNJNAAPHVQH-CABCVRRESA-N 2 1 336.436 -0.963 20 30 EBEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001100008510 820020649 /nfs/dbraw/zinc/02/06/49/820020649.db2.gz JKOMZUHBXZFXIS-HOTGVXAUSA-N 2 1 337.464 -0.081 20 30 EBEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001100008510 820020659 /nfs/dbraw/zinc/02/06/59/820020659.db2.gz JKOMZUHBXZFXIS-HOTGVXAUSA-N 2 1 337.464 -0.081 20 30 EBEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001100008510 820020664 /nfs/dbraw/zinc/02/06/64/820020664.db2.gz JKOMZUHBXZFXIS-HOTGVXAUSA-N 2 1 337.464 -0.081 20 30 EBEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001100008510 820020672 /nfs/dbraw/zinc/02/06/72/820020672.db2.gz JKOMZUHBXZFXIS-HOTGVXAUSA-N 2 1 337.464 -0.081 20 30 EBEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076297 820170931 /nfs/dbraw/zinc/17/09/31/820170931.db2.gz JDUUCQWYHGKPHF-CABCVRRESA-N 2 1 329.441 -0.681 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCOC)C[C@@H]2O)CC1 ZINC001100121627 820250725 /nfs/dbraw/zinc/25/07/25/820250725.db2.gz DOELDXBAQFDHFH-SJORKVTESA-N 2 1 337.464 -0.081 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001100345137 820369913 /nfs/dbraw/zinc/36/99/13/820369913.db2.gz RCPDREVPPBJVQV-PFSRBDOWSA-N 2 1 335.452 -0.159 20 30 EBEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100383063 820391799 /nfs/dbraw/zinc/39/17/99/820391799.db2.gz JJPOWYCTODUJBL-NRXISQOPSA-N 2 1 335.452 -0.015 20 30 EBEDMP COCC#CC[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432746 820790317 /nfs/dbraw/zinc/79/03/17/820790317.db2.gz YKZIFLKHUMTWHA-AEFFLSMTSA-N 2 1 337.464 -0.005 20 30 EBEDMP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001101461458 820797386 /nfs/dbraw/zinc/79/73/86/820797386.db2.gz CECOEPWOLUWUSK-PBHICJAKSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001101461458 820797390 /nfs/dbraw/zinc/79/73/90/820797390.db2.gz CECOEPWOLUWUSK-PBHICJAKSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102045944 821011519 /nfs/dbraw/zinc/01/15/19/821011519.db2.gz DGQZMHQDGNVJGU-ZIAGYGMSSA-N 2 1 335.452 -0.205 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102091209 821022887 /nfs/dbraw/zinc/02/28/87/821022887.db2.gz XHVGVKKWYHLANW-OAGGEKHMSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001102091209 821022889 /nfs/dbraw/zinc/02/28/89/821022889.db2.gz XHVGVKKWYHLANW-OAGGEKHMSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001102091209 821022899 /nfs/dbraw/zinc/02/28/99/821022899.db2.gz XHVGVKKWYHLANW-OAGGEKHMSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370057 821081378 /nfs/dbraw/zinc/08/13/78/821081378.db2.gz PJQCKHJYERFZFM-ARFHVFGLSA-N 2 1 334.464 -0.238 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370057 821081386 /nfs/dbraw/zinc/08/13/86/821081386.db2.gz PJQCKHJYERFZFM-ARFHVFGLSA-N 2 1 334.464 -0.238 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370057 821081392 /nfs/dbraw/zinc/08/13/92/821081392.db2.gz PJQCKHJYERFZFM-ARFHVFGLSA-N 2 1 334.464 -0.238 20 30 EBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102514036 821134565 /nfs/dbraw/zinc/13/45/65/821134565.db2.gz KDQKTFFFLIVLPM-QLFBSQMISA-N 2 1 335.452 -0.348 20 30 EBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001102514036 821134570 /nfs/dbraw/zinc/13/45/70/821134570.db2.gz KDQKTFFFLIVLPM-QLFBSQMISA-N 2 1 335.452 -0.348 20 30 EBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001102514036 821134573 /nfs/dbraw/zinc/13/45/73/821134573.db2.gz KDQKTFFFLIVLPM-QLFBSQMISA-N 2 1 335.452 -0.348 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1C ZINC001103099752 821258077 /nfs/dbraw/zinc/25/80/77/821258077.db2.gz XGADGNMTJYONKL-OAGGEKHMSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1C ZINC001103099752 821258081 /nfs/dbraw/zinc/25/80/81/821258081.db2.gz XGADGNMTJYONKL-OAGGEKHMSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NC)C[C@H]1C ZINC001103099752 821258086 /nfs/dbraw/zinc/25/80/86/821258086.db2.gz XGADGNMTJYONKL-OAGGEKHMSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NC)C[C@H]1C ZINC001103099752 821258096 /nfs/dbraw/zinc/25/80/96/821258096.db2.gz XGADGNMTJYONKL-OAGGEKHMSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326904 821693935 /nfs/dbraw/zinc/69/39/35/821693935.db2.gz LHNVVBHEKKGDEW-BBRMVZONSA-N 2 1 330.436 -0.028 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+]([C@@H](C)COC)CC1 ZINC001316965024 821946483 /nfs/dbraw/zinc/94/64/83/821946483.db2.gz NQHLPEJLROJTLA-IRXDYDNUSA-N 2 1 336.480 -0.147 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+]([C@@H](C)COC)CC1 ZINC001316965024 821946487 /nfs/dbraw/zinc/94/64/87/821946487.db2.gz NQHLPEJLROJTLA-IRXDYDNUSA-N 2 1 336.480 -0.147 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317287357 822064863 /nfs/dbraw/zinc/06/48/63/822064863.db2.gz AVVLYFAWCKJPFO-NEPJUHHUSA-N 2 1 325.413 -0.956 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001317663252 822196849 /nfs/dbraw/zinc/19/68/49/822196849.db2.gz DMHDGNVKTDVFSR-ZIAGYGMSSA-N 2 1 326.441 -0.554 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001317663252 822196851 /nfs/dbraw/zinc/19/68/51/822196851.db2.gz DMHDGNVKTDVFSR-ZIAGYGMSSA-N 2 1 326.441 -0.554 20 30 EBEDMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106662928 822309007 /nfs/dbraw/zinc/30/90/07/822309007.db2.gz KIBRSZXMTOWRAP-QLFBSQMISA-N 2 1 335.452 -0.205 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001106986296 823713185 /nfs/dbraw/zinc/71/31/85/823713185.db2.gz JISHQHCNGWYQTG-UKRRQHHQSA-N 2 1 331.420 -0.375 20 30 EBEDMP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)CC2=O)C1 ZINC001108566835 824377580 /nfs/dbraw/zinc/37/75/80/824377580.db2.gz OSPYYPSDGPVJJX-AWEZNQCLSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982465 824638567 /nfs/dbraw/zinc/63/85/67/824638567.db2.gz FEHXFKBMUPCWEN-FZKCQIBNSA-N 2 1 344.459 -0.058 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982465 824638577 /nfs/dbraw/zinc/63/85/77/824638577.db2.gz FEHXFKBMUPCWEN-FZKCQIBNSA-N 2 1 344.459 -0.058 20 30 EBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C[C@@H]1n1ccnn1 ZINC001129898433 828689836 /nfs/dbraw/zinc/68/98/36/828689836.db2.gz VKHKPHJZXDYFCJ-IKGGRYGDSA-N 2 1 340.431 -0.260 20 30 EBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C[C@@H]1n1ccnn1 ZINC001129898433 828689838 /nfs/dbraw/zinc/68/98/38/828689838.db2.gz VKHKPHJZXDYFCJ-IKGGRYGDSA-N 2 1 340.431 -0.260 20 30 EBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130005793 828713206 /nfs/dbraw/zinc/71/32/06/828713206.db2.gz HJAIPOOBZYMNLM-XHSDSOJGSA-N 2 1 330.436 -0.015 20 30 EBEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123690 828736133 /nfs/dbraw/zinc/73/61/33/828736133.db2.gz YTFDNWBMSJRDMX-OAGGEKHMSA-N 2 1 346.435 -0.779 20 30 EBEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130186151 828749390 /nfs/dbraw/zinc/74/93/90/828749390.db2.gz BQDMUAIYJYVQHT-ZIAGYGMSSA-N 2 1 339.440 -0.827 20 30 EBEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130186151 828749395 /nfs/dbraw/zinc/74/93/95/828749395.db2.gz BQDMUAIYJYVQHT-ZIAGYGMSSA-N 2 1 339.440 -0.827 20 30 EBEDMP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001111856724 825329503 /nfs/dbraw/zinc/32/95/03/825329503.db2.gz DPFOYTCHCUFGQR-YOEHRIQHSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001111856724 825329512 /nfs/dbraw/zinc/32/95/12/825329512.db2.gz DPFOYTCHCUFGQR-YOEHRIQHSA-N 2 1 335.452 -0.061 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001114291003 826196032 /nfs/dbraw/zinc/19/60/32/826196032.db2.gz QSWIBAARACJSAP-TTZDDIAXSA-N 2 1 331.420 -0.986 20 30 EBEDMP N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001114291003 826196039 /nfs/dbraw/zinc/19/60/39/826196039.db2.gz QSWIBAARACJSAP-TTZDDIAXSA-N 2 1 331.420 -0.986 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001114291002 826196371 /nfs/dbraw/zinc/19/63/71/826196371.db2.gz QSWIBAARACJSAP-NYTXWWLZSA-N 2 1 331.420 -0.986 20 30 EBEDMP N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001114291002 826196372 /nfs/dbraw/zinc/19/63/72/826196372.db2.gz QSWIBAARACJSAP-NYTXWWLZSA-N 2 1 331.420 -0.986 20 30 EBEDMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21)[NH+](CC)CC ZINC001114826183 826348639 /nfs/dbraw/zinc/34/86/39/826348639.db2.gz FMESAYFIGZZQLZ-KNCOVGOOSA-N 2 1 335.452 -0.207 20 30 EBEDMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21)[NH+](CC)CC ZINC001114826183 826348644 /nfs/dbraw/zinc/34/86/44/826348644.db2.gz FMESAYFIGZZQLZ-KNCOVGOOSA-N 2 1 335.452 -0.207 20 30 EBEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CC[NH+](C)CC1 ZINC001115038059 826405667 /nfs/dbraw/zinc/40/56/67/826405667.db2.gz HATFKBXBSZROKE-VQFNDLOPSA-N 2 1 335.448 -0.207 20 30 EBEDMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CCCCC2)C1 ZINC001120129124 827176091 /nfs/dbraw/zinc/17/60/91/827176091.db2.gz DJZNSLDERSUNNR-CQSZACIVSA-N 2 1 335.452 -0.013 20 30 EBEDMP CCC[N@@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CC(=O)NCC#N)C2 ZINC001122106488 827522842 /nfs/dbraw/zinc/52/28/42/827522842.db2.gz JJBJNBSNBMZBOM-UHFFFAOYSA-N 2 1 335.452 -0.015 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124867047 827969352 /nfs/dbraw/zinc/96/93/52/827969352.db2.gz QSARTVJVSWTRQP-RYUDHWBXSA-N 2 1 325.413 -0.813 20 30 EBEDMP N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356454 828283187 /nfs/dbraw/zinc/28/31/87/828283187.db2.gz CXNWSOFEGSYAMN-CQSZACIVSA-N 2 1 335.452 -0.013 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001185199587 833349741 /nfs/dbraw/zinc/34/97/41/833349741.db2.gz OGILSHOKWIKNNO-HUUCEWRRSA-N 2 1 343.431 -0.306 20 30 EBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1=O ZINC001132848287 829533718 /nfs/dbraw/zinc/53/37/18/829533718.db2.gz DASAIFIFNLQWSU-LSDHHAIUSA-N 2 1 338.452 -0.412 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132852140 829536561 /nfs/dbraw/zinc/53/65/61/829536561.db2.gz IKVMYUDHXBFOAJ-KBPBESRZSA-N 2 1 326.441 -0.508 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133850600 829687401 /nfs/dbraw/zinc/68/74/01/829687401.db2.gz NWPPWDOKGYLLFY-QWHCGFSZSA-N 2 1 339.440 -0.566 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001211175921 837402703 /nfs/dbraw/zinc/40/27/03/837402703.db2.gz DSYRYYLDUVJUDY-GJZGRUSLSA-N 2 1 338.452 -0.410 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001211175921 837402710 /nfs/dbraw/zinc/40/27/10/837402710.db2.gz DSYRYYLDUVJUDY-GJZGRUSLSA-N 2 1 338.452 -0.410 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135675440 830004247 /nfs/dbraw/zinc/00/42/47/830004247.db2.gz FZIIEBBCTIVPHV-CABCVRRESA-N 2 1 340.468 -0.116 20 30 EBEDMP CC[N@H+](C)C(C)(C)C(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)C2 ZINC001147835836 830418545 /nfs/dbraw/zinc/41/85/45/830418545.db2.gz NJVONTACZARAHF-UHFFFAOYSA-N 2 1 335.452 -0.109 20 30 EBEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)C2 ZINC001147835836 830418549 /nfs/dbraw/zinc/41/85/49/830418549.db2.gz NJVONTACZARAHF-UHFFFAOYSA-N 2 1 335.452 -0.109 20 30 EBEDMP CC[NH+](C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC#N)C2 ZINC001147835836 830418552 /nfs/dbraw/zinc/41/85/52/830418552.db2.gz NJVONTACZARAHF-UHFFFAOYSA-N 2 1 335.452 -0.109 20 30 EBEDMP CC[NH+](C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC#N)C2 ZINC001147835836 830418556 /nfs/dbraw/zinc/41/85/56/830418556.db2.gz NJVONTACZARAHF-UHFFFAOYSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)C2 ZINC001148277684 830463230 /nfs/dbraw/zinc/46/32/30/830463230.db2.gz KPPVXZFEJISAKV-CQSZACIVSA-N 2 1 333.436 -0.355 20 30 EBEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)C2 ZINC001148277684 830463233 /nfs/dbraw/zinc/46/32/33/830463233.db2.gz KPPVXZFEJISAKV-CQSZACIVSA-N 2 1 333.436 -0.355 20 30 EBEDMP C[C@@H]1CCC[NH+]1CC(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC#N)C2 ZINC001148277684 830463237 /nfs/dbraw/zinc/46/32/37/830463237.db2.gz KPPVXZFEJISAKV-CQSZACIVSA-N 2 1 333.436 -0.355 20 30 EBEDMP C[C@@H]1CCC[NH+]1CC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC#N)C2 ZINC001148277684 830463239 /nfs/dbraw/zinc/46/32/39/830463239.db2.gz KPPVXZFEJISAKV-CQSZACIVSA-N 2 1 333.436 -0.355 20 30 EBEDMP C[N@@H+]1CC[C@@H](CC(=O)N2CC3(C2)CC[NH+](CC(=O)NCC#N)C3)C1 ZINC001148611750 830516934 /nfs/dbraw/zinc/51/69/34/830516934.db2.gz MBIZJFNBRKLUPN-AWEZNQCLSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[N@H+]1CC[C@@H](CC(=O)N2CC3(C2)CC[NH+](CC(=O)NCC#N)C3)C1 ZINC001148611750 830516944 /nfs/dbraw/zinc/51/69/44/830516944.db2.gz MBIZJFNBRKLUPN-AWEZNQCLSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[NH+]1CC[C@@H](CC(=O)N2CC3(C2)CC[N@H+](CC(=O)NCC#N)C3)C1 ZINC001148611750 830516954 /nfs/dbraw/zinc/51/69/54/830516954.db2.gz MBIZJFNBRKLUPN-AWEZNQCLSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[NH+]1CC[C@@H](CC(=O)N2CC3(C2)CC[N@@H+](CC(=O)NCC#N)C3)C1 ZINC001148611750 830516963 /nfs/dbraw/zinc/51/69/63/830516963.db2.gz MBIZJFNBRKLUPN-AWEZNQCLSA-N 2 1 333.436 -0.498 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151147815 831030682 /nfs/dbraw/zinc/03/06/82/831030682.db2.gz YGRIDUDFAMOPGS-LLVKDONJSA-N 2 1 336.396 -0.702 20 30 EBEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001151739905 831107557 /nfs/dbraw/zinc/10/75/57/831107557.db2.gz OZOBNTUJZKPRJC-OAHLLOKOSA-N 2 1 338.452 -0.387 20 30 EBEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001151739905 831107560 /nfs/dbraw/zinc/10/75/60/831107560.db2.gz OZOBNTUJZKPRJC-OAHLLOKOSA-N 2 1 338.452 -0.387 20 30 EBEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001151748718 831108658 /nfs/dbraw/zinc/10/86/58/831108658.db2.gz JCMIGKIOXIEQST-HNNXBMFYSA-N 2 1 340.468 -0.163 20 30 EBEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001151748718 831108662 /nfs/dbraw/zinc/10/86/62/831108662.db2.gz JCMIGKIOXIEQST-HNNXBMFYSA-N 2 1 340.468 -0.163 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152444878 831163222 /nfs/dbraw/zinc/16/32/22/831163222.db2.gz ARRFWSWEVZDOEJ-LBPRGKRZSA-N 2 1 327.429 -0.567 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155822111 831433261 /nfs/dbraw/zinc/43/32/61/831433261.db2.gz ITRRYCVXSZSCPH-QWHCGFSZSA-N 2 1 339.440 -0.423 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001159883210 831791934 /nfs/dbraw/zinc/79/19/34/831791934.db2.gz PZNGTHHDKSPALL-CABCVRRESA-N 2 1 348.451 -0.953 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001160209516 831825395 /nfs/dbraw/zinc/82/53/95/831825395.db2.gz OBYAGDNQLQPXOQ-CVEARBPZSA-N 2 1 333.436 -0.563 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001160209516 831825399 /nfs/dbraw/zinc/82/53/99/831825399.db2.gz OBYAGDNQLQPXOQ-CVEARBPZSA-N 2 1 333.436 -0.563 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161858012 831997462 /nfs/dbraw/zinc/99/74/62/831997462.db2.gz UZKYXEJSJXQZSF-INIZCTEOSA-N 2 1 332.448 -0.174 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001161858012 831997469 /nfs/dbraw/zinc/99/74/69/831997469.db2.gz UZKYXEJSJXQZSF-INIZCTEOSA-N 2 1 332.448 -0.174 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001161858012 831997476 /nfs/dbraw/zinc/99/74/76/831997476.db2.gz UZKYXEJSJXQZSF-INIZCTEOSA-N 2 1 332.448 -0.174 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001161858012 831997480 /nfs/dbraw/zinc/99/74/80/831997480.db2.gz UZKYXEJSJXQZSF-INIZCTEOSA-N 2 1 332.448 -0.174 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CC=C(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001161879920 832000339 /nfs/dbraw/zinc/00/03/39/832000339.db2.gz ZYWUEQVOLMOWTL-UHFFFAOYSA-N 2 1 333.436 -0.140 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001161879920 832000341 /nfs/dbraw/zinc/00/03/41/832000341.db2.gz ZYWUEQVOLMOWTL-UHFFFAOYSA-N 2 1 333.436 -0.140 20 30 EBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872089 832069006 /nfs/dbraw/zinc/06/90/06/832069006.db2.gz GJJXYSIGZOBTHT-XOYHFGRZSA-N 2 1 336.436 -0.752 20 30 EBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001164538927 832195971 /nfs/dbraw/zinc/19/59/71/832195971.db2.gz PYHNMYJMJRMBNG-CQSZACIVSA-N 2 1 326.441 -0.506 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001165278807 832210340 /nfs/dbraw/zinc/21/03/40/832210340.db2.gz XCEBXIJZTSQWLG-ZFWWWQNUSA-N 2 1 345.447 -0.012 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001165545275 832226357 /nfs/dbraw/zinc/22/63/57/832226357.db2.gz KAGPJOVNBWCIJS-ZDUSSCGKSA-N 2 1 349.435 -0.845 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001165545275 832226364 /nfs/dbraw/zinc/22/63/64/832226364.db2.gz KAGPJOVNBWCIJS-ZDUSSCGKSA-N 2 1 349.435 -0.845 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001166699328 832281463 /nfs/dbraw/zinc/28/14/63/832281463.db2.gz LPRFHFDJBCZKIO-CQSZACIVSA-N 2 1 331.420 -0.401 20 30 EBEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C2 ZINC001166699734 832281890 /nfs/dbraw/zinc/28/18/90/832281890.db2.gz SZXXSKFLPCYZJV-ZDUSSCGKSA-N 2 1 332.408 -0.510 20 30 EBEDMP N#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001167917246 832383103 /nfs/dbraw/zinc/38/31/03/832383103.db2.gz XBODEJLUAGEHRN-SFHVURJKSA-N 2 1 347.463 -0.012 20 30 EBEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)CC[NH+]2CCOCC2)C1=O ZINC001168417567 832419148 /nfs/dbraw/zinc/41/91/48/832419148.db2.gz UYKVUUPZLQJBMI-OAHLLOKOSA-N 2 1 338.452 -0.409 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001354174546 832470805 /nfs/dbraw/zinc/47/08/05/832470805.db2.gz VMIZEJLRKZNEFN-BQJWPVKWSA-N 2 1 346.475 -0.003 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001354174546 832470808 /nfs/dbraw/zinc/47/08/08/832470808.db2.gz VMIZEJLRKZNEFN-BQJWPVKWSA-N 2 1 346.475 -0.003 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001354470777 832491078 /nfs/dbraw/zinc/49/10/78/832491078.db2.gz IGPBDYGHAILZTL-HOCLYGCPSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001178106261 832828594 /nfs/dbraw/zinc/82/85/94/832828594.db2.gz BIKMGUXTLQGEPA-OAHLLOKOSA-N 2 1 338.452 -0.667 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001178106261 832828603 /nfs/dbraw/zinc/82/86/03/832828603.db2.gz BIKMGUXTLQGEPA-OAHLLOKOSA-N 2 1 338.452 -0.667 20 30 EBEDMP C[N@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192679877 834715520 /nfs/dbraw/zinc/71/55/20/834715520.db2.gz HINRHVXTKUEZEQ-OAHLLOKOSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[N@@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192679877 834715526 /nfs/dbraw/zinc/71/55/26/834715526.db2.gz HINRHVXTKUEZEQ-OAHLLOKOSA-N 2 1 335.452 -0.109 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CC(=O)NCC#N)C2)CC1 ZINC001194247657 835060121 /nfs/dbraw/zinc/06/01/21/835060121.db2.gz ZADUNJUYQOBOFW-INIZCTEOSA-N 2 1 345.447 -0.496 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NCC#N)C2)CC1 ZINC001194247657 835060130 /nfs/dbraw/zinc/06/01/30/835060130.db2.gz ZADUNJUYQOBOFW-INIZCTEOSA-N 2 1 345.447 -0.496 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C2)CC1 ZINC001194247317 835058791 /nfs/dbraw/zinc/05/87/91/835058791.db2.gz WNJXIEXMTIUORN-AWEZNQCLSA-N 2 1 349.435 -0.941 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C2)CC1 ZINC001194247317 835058802 /nfs/dbraw/zinc/05/88/02/835058802.db2.gz WNJXIEXMTIUORN-AWEZNQCLSA-N 2 1 349.435 -0.941 20 30 EBEDMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001197783892 835607642 /nfs/dbraw/zinc/60/76/42/835607642.db2.gz RGPACSZKOLDPDU-IAGOWNOFSA-N 2 1 346.431 -0.202 20 30 EBEDMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001197783892 835607645 /nfs/dbraw/zinc/60/76/45/835607645.db2.gz RGPACSZKOLDPDU-IAGOWNOFSA-N 2 1 346.431 -0.202 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200116068 835911443 /nfs/dbraw/zinc/91/14/43/835911443.db2.gz SLCYSPCXISNBID-CABCVRRESA-N 2 1 338.452 -0.410 20 30 EBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CCCO1 ZINC001200688321 836015143 /nfs/dbraw/zinc/01/51/43/836015143.db2.gz NGYFXCMQVJEAEA-JKSUJKDBSA-N 2 1 333.436 -0.346 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCCO1 ZINC001200976612 836077604 /nfs/dbraw/zinc/07/76/04/836077604.db2.gz VUHDLXURZLOYJT-HNNXBMFYSA-N 2 1 347.419 -0.852 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203728710 836469320 /nfs/dbraw/zinc/46/93/20/836469320.db2.gz BASCSCJWEAXATG-KGLIPLIRSA-N 2 1 344.419 -0.152 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001210134676 837243676 /nfs/dbraw/zinc/24/36/76/837243676.db2.gz XXUODBGPXRPCTI-HNNXBMFYSA-N 2 1 338.452 -0.409 20 30 EBEDMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC#CCOC)C1 ZINC001320261918 838734566 /nfs/dbraw/zinc/73/45/66/838734566.db2.gz FSCNYGOOHDJXKT-HZPDHXFCSA-N 2 1 325.453 -0.175 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001321875057 839092628 /nfs/dbraw/zinc/09/26/28/839092628.db2.gz CNQWECNAWPCBJZ-KKUMJFAQSA-N 2 1 341.477 -0.387 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001321875057 839092636 /nfs/dbraw/zinc/09/26/36/839092636.db2.gz CNQWECNAWPCBJZ-KKUMJFAQSA-N 2 1 341.477 -0.387 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCN2CCCC2=O)CC1 ZINC001323468516 839450313 /nfs/dbraw/zinc/45/03/13/839450313.db2.gz NVTVVHKOQMHLBM-HNNXBMFYSA-N 2 1 332.448 -0.055 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCN2CCCC2=O)CC1 ZINC001323468516 839450320 /nfs/dbraw/zinc/45/03/20/839450320.db2.gz NVTVVHKOQMHLBM-HNNXBMFYSA-N 2 1 332.448 -0.055 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001324660069 839697118 /nfs/dbraw/zinc/69/71/18/839697118.db2.gz DTYZLYYZESTYLZ-RHSMWYFYSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001324660069 839697124 /nfs/dbraw/zinc/69/71/24/839697124.db2.gz DTYZLYYZESTYLZ-RHSMWYFYSA-N 2 1 332.448 -0.199 20 30 EBEDMP N#CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001330300203 841158700 /nfs/dbraw/zinc/15/87/00/841158700.db2.gz WMWOKUFFLRLSNI-FPCVCCKLSA-N 2 1 345.447 -0.738 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001330300203 841158705 /nfs/dbraw/zinc/15/87/05/841158705.db2.gz WMWOKUFFLRLSNI-FPCVCCKLSA-N 2 1 345.447 -0.738 20 30 EBEDMP C[NH+](C)CCCC(=O)N1CC2(C1)CCC[N@H+](CC(=O)NCC#N)C2 ZINC001330502375 841222294 /nfs/dbraw/zinc/22/22/94/841222294.db2.gz QPBJPOAJZNTTLF-UHFFFAOYSA-N 2 1 335.452 -0.108 20 30 EBEDMP C[NH+](C)CCCC(=O)N1CC2(C1)CCC[N@@H+](CC(=O)NCC#N)C2 ZINC001330502375 841222302 /nfs/dbraw/zinc/22/23/02/841222302.db2.gz QPBJPOAJZNTTLF-UHFFFAOYSA-N 2 1 335.452 -0.108 20 30 EBEDMP C[C@@H]1CC[NH+](CC(=O)N2CCC([N@H+](C)CC(=O)NCC#N)CC2)C1 ZINC001331053248 841323638 /nfs/dbraw/zinc/32/36/38/841323638.db2.gz FPPYFEKQLDUTQV-CQSZACIVSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[C@@H]1CC[NH+](CC(=O)N2CCC([N@@H+](C)CC(=O)NCC#N)CC2)C1 ZINC001331053248 841323649 /nfs/dbraw/zinc/32/36/49/841323649.db2.gz FPPYFEKQLDUTQV-CQSZACIVSA-N 2 1 335.452 -0.109 20 30 EBEDMP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001335568840 842306357 /nfs/dbraw/zinc/30/63/57/842306357.db2.gz BGNRYIZUHYTRKV-VBQJREDUSA-N 2 1 336.436 -0.137 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001691101108 1125833535 /nfs/dbraw/zinc/83/35/35/1125833535.db2.gz PIFHRAKXMJZQRU-IMJJTQAJSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001691101108 1125833536 /nfs/dbraw/zinc/83/35/36/1125833536.db2.gz PIFHRAKXMJZQRU-IMJJTQAJSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2C[N@H+](CC)CCO2)n1 ZINC001691424150 1125859990 /nfs/dbraw/zinc/85/99/90/1125859990.db2.gz CIJWDJNRAKTVRJ-CQSZACIVSA-N 2 1 347.419 -0.368 20 30 EBEDMP C#CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)n1 ZINC001691424150 1125859992 /nfs/dbraw/zinc/85/99/92/1125859992.db2.gz CIJWDJNRAKTVRJ-CQSZACIVSA-N 2 1 347.419 -0.368 20 30 EBEDMP CC1CC[NH+](CC(=O)NC[C@H]2CC[N@H+](CC(=O)NCC#N)C2)CC1 ZINC001481117542 1125925551 /nfs/dbraw/zinc/92/55/51/1125925551.db2.gz VSJSJQJHAJXVLK-OAHLLOKOSA-N 2 1 335.452 -0.204 20 30 EBEDMP CC1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)CC1 ZINC001481117542 1125925552 /nfs/dbraw/zinc/92/55/52/1125925552.db2.gz VSJSJQJHAJXVLK-OAHLLOKOSA-N 2 1 335.452 -0.204 20 30 EBEDMP CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001481319806 1125974025 /nfs/dbraw/zinc/97/40/25/1125974025.db2.gz OREMNDMAVBTWCT-INIZCTEOSA-N 2 1 331.420 -0.023 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001482055806 1126074358 /nfs/dbraw/zinc/07/43/58/1126074358.db2.gz HBOGBMNUSLANFQ-QLFBSQMISA-N 2 1 335.452 -0.063 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001482058871 1126074532 /nfs/dbraw/zinc/07/45/32/1126074532.db2.gz LVMDWOSNRQADBL-MJBXVCDLSA-N 2 1 349.435 -0.752 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001482058871 1126074534 /nfs/dbraw/zinc/07/45/34/1126074534.db2.gz LVMDWOSNRQADBL-MJBXVCDLSA-N 2 1 349.435 -0.752 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCCC1 ZINC001482224581 1126108295 /nfs/dbraw/zinc/10/82/95/1126108295.db2.gz OPTSSAHJGHMPQY-UHFFFAOYSA-N 2 1 331.420 -0.040 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001483160988 1126348426 /nfs/dbraw/zinc/34/84/26/1126348426.db2.gz QQZQDOQGXDPYQC-OCCSQVGLSA-N 2 1 331.420 -0.402 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CCN2CCNC2=O)CC1 ZINC001483420314 1126426325 /nfs/dbraw/zinc/42/63/25/1126426325.db2.gz HSALZFYAVOIAAJ-HNNXBMFYSA-N 2 1 349.479 -0.207 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NC)CCOCC1 ZINC001484184577 1126513677 /nfs/dbraw/zinc/51/36/77/1126513677.db2.gz XLGVHETVTHXLFB-AWEZNQCLSA-N 2 1 336.436 -0.915 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NC)CCOCC1 ZINC001484184577 1126513679 /nfs/dbraw/zinc/51/36/79/1126513679.db2.gz XLGVHETVTHXLFB-AWEZNQCLSA-N 2 1 336.436 -0.915 20 30 EBEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001484238566 1126536300 /nfs/dbraw/zinc/53/63/00/1126536300.db2.gz JGVPMQNWGTXNKQ-PBHICJAKSA-N 2 1 338.452 -0.722 20 30 EBEDMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[NH+](CC(=O)NCC#N)C[C@@H]3C2)C1 ZINC001484413990 1126571643 /nfs/dbraw/zinc/57/16/43/1126571643.db2.gz YLIVLLXLONOJOI-SOUVJXGZSA-N 2 1 333.436 -0.642 20 30 EBEDMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[N@@H+](CC(=O)NCC#N)C[C@@H]3C2)C1 ZINC001484413990 1126571644 /nfs/dbraw/zinc/57/16/44/1126571644.db2.gz YLIVLLXLONOJOI-SOUVJXGZSA-N 2 1 333.436 -0.642 20 30 EBEDMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[N@H+](CC(=O)NCC#N)C[C@@H]3C2)C1 ZINC001484413990 1126571645 /nfs/dbraw/zinc/57/16/45/1126571645.db2.gz YLIVLLXLONOJOI-SOUVJXGZSA-N 2 1 333.436 -0.642 20 30 EBEDMP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NCC#N)CC2)CC1 ZINC001484722187 1126627416 /nfs/dbraw/zinc/62/74/16/1126627416.db2.gz FSRRDNZXMNNOJV-OAHLLOKOSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NCC#N)CC2)CC1 ZINC001484722187 1126627418 /nfs/dbraw/zinc/62/74/18/1126627418.db2.gz FSRRDNZXMNNOJV-OAHLLOKOSA-N 2 1 335.452 -0.061 20 30 EBEDMP COCC#CC[NH2+]CC1(O)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001484963767 1126657132 /nfs/dbraw/zinc/65/71/32/1126657132.db2.gz UUXAKIFBZNXYBS-INIZCTEOSA-N 2 1 337.464 -0.079 20 30 EBEDMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC(=O)NCC#N)C1 ZINC001485485761 1126731226 /nfs/dbraw/zinc/73/12/26/1126731226.db2.gz SZGLXMJFDRUGSY-CABCVRRESA-N 2 1 335.452 -0.061 20 30 EBEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC(=O)NCC#N)C1 ZINC001485485761 1126731232 /nfs/dbraw/zinc/73/12/32/1126731232.db2.gz SZGLXMJFDRUGSY-CABCVRRESA-N 2 1 335.452 -0.061 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CC(=O)NCC#N)C1 ZINC001485485761 1126731237 /nfs/dbraw/zinc/73/12/37/1126731237.db2.gz SZGLXMJFDRUGSY-CABCVRRESA-N 2 1 335.452 -0.061 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CC(=O)NCC#N)C1 ZINC001485485761 1126731240 /nfs/dbraw/zinc/73/12/40/1126731240.db2.gz SZGLXMJFDRUGSY-CABCVRRESA-N 2 1 335.452 -0.061 20 30 EBEDMP C[N@@H+](CC(=O)NCC#N)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001485766726 1126828354 /nfs/dbraw/zinc/82/83/54/1126828354.db2.gz POUKSNMYFNVVKB-CQSZACIVSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[NH+](CC(=O)NCC#N)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001485766726 1126828355 /nfs/dbraw/zinc/82/83/55/1126828355.db2.gz POUKSNMYFNVVKB-CQSZACIVSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[NH+](CC(=O)NCC#N)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001485766726 1126828357 /nfs/dbraw/zinc/82/83/57/1126828357.db2.gz POUKSNMYFNVVKB-CQSZACIVSA-N 2 1 335.452 -0.109 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001489181130 1128926596 /nfs/dbraw/zinc/92/65/96/1128926596.db2.gz GORTZKMMXUTWPB-OWCLPIDISA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001489181130 1128926600 /nfs/dbraw/zinc/92/66/00/1128926600.db2.gz GORTZKMMXUTWPB-OWCLPIDISA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001489181130 1128926602 /nfs/dbraw/zinc/92/66/02/1128926602.db2.gz GORTZKMMXUTWPB-OWCLPIDISA-N 2 1 332.448 -0.390 20 30 EBEDMP COCC#CCN1CC[NH+](CCCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001490476238 1129185680 /nfs/dbraw/zinc/18/56/80/1129185680.db2.gz CTCPFMLLRZJJKH-KRWDZBQOSA-N 2 1 336.480 -0.288 20 30 EBEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC(=O)NCC#N)CC1 ZINC001280371901 1130562332 /nfs/dbraw/zinc/56/23/32/1130562332.db2.gz LSVJSSJBILTFTL-RBSFLKMASA-N 2 1 335.452 -0.015 20 30 EBEDMP OCCO[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@@H](OCCO)C2)C1 ZINC000341871576 380739513 /nfs/dbraw/zinc/73/95/13/380739513.db2.gz DKYQCHMNDXHHQV-QZTJIDSGSA-N 2 1 340.464 -0.064 20 30 EBEDMP OCCO[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H](OCCO)C2)C1 ZINC000341871576 380739521 /nfs/dbraw/zinc/73/95/21/380739521.db2.gz DKYQCHMNDXHHQV-QZTJIDSGSA-N 2 1 340.464 -0.064 20 30 EBEDMP CNC(=O)[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](C(=O)NC)C2)C1 ZINC000341894062 380745060 /nfs/dbraw/zinc/74/50/60/380745060.db2.gz JCAPLTQWNTWGMT-IYBDPMFKSA-N 2 1 334.464 -0.094 20 30 EBEDMP CNC(=O)[C@@H]1CCC[N@@H+](CC#CC[NH+]2CCC[C@H](C(=O)NC)C2)C1 ZINC000341894062 380745064 /nfs/dbraw/zinc/74/50/64/380745064.db2.gz JCAPLTQWNTWGMT-IYBDPMFKSA-N 2 1 334.464 -0.094 20 30 EBEDMP CNC(=O)[C@@H]1CCC[N@H+](CC#CC[NH+]2CCC[C@H](C(=O)NC)C2)C1 ZINC000341894062 380745068 /nfs/dbraw/zinc/74/50/68/380745068.db2.gz JCAPLTQWNTWGMT-IYBDPMFKSA-N 2 1 334.464 -0.094 20 30 EBEDMP CNC(=O)[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H](C(=O)NC)C2)C1 ZINC000341894061 380745177 /nfs/dbraw/zinc/74/51/77/380745177.db2.gz JCAPLTQWNTWGMT-HZPDHXFCSA-N 2 1 334.464 -0.094 20 30 EBEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cn2cnc(C#N)n2)CC1 ZINC000581346415 381071190 /nfs/dbraw/zinc/07/11/90/381071190.db2.gz XVMFHVPKXTUFJS-UHFFFAOYSA-N 2 1 326.364 -0.065 20 30 EBEDMP C[NH2+]CCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000419887971 267347865 /nfs/dbraw/zinc/34/78/65/267347865.db2.gz FMADLFXYUIBUGF-UHFFFAOYSA-N 2 1 343.431 -0.072 20 30 EBEDMP C[NH2+]CCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000419887971 267347868 /nfs/dbraw/zinc/34/78/68/267347868.db2.gz FMADLFXYUIBUGF-UHFFFAOYSA-N 2 1 343.431 -0.072 20 30 EBEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000884127637 584614650 /nfs/dbraw/zinc/61/46/50/584614650.db2.gz JHQREEWSSCAZQN-HOTGVXAUSA-N 2 1 349.479 -0.029 20 30 EBEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000884127637 584614652 /nfs/dbraw/zinc/61/46/52/584614652.db2.gz JHQREEWSSCAZQN-HOTGVXAUSA-N 2 1 349.479 -0.029 20 30 EBEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000884127637 584614653 /nfs/dbraw/zinc/61/46/53/584614653.db2.gz JHQREEWSSCAZQN-HOTGVXAUSA-N 2 1 349.479 -0.029 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000884127637 584614656 /nfs/dbraw/zinc/61/46/56/584614656.db2.gz JHQREEWSSCAZQN-HOTGVXAUSA-N 2 1 349.479 -0.029 20 30 EBEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCO[C@@H](COC)C1 ZINC000261778104 649985041 /nfs/dbraw/zinc/98/50/41/649985041.db2.gz FGYQGTZPHNNXIP-HUUCEWRRSA-N 2 1 327.473 -0.455 20 30 EBEDMP CN1CC[NH+](CCCCNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000303869395 649992921 /nfs/dbraw/zinc/99/29/21/649992921.db2.gz AVZLHTLQRFIVCC-UHFFFAOYSA-N 3 1 340.516 -0.359 20 30 EBEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000303769881 649992960 /nfs/dbraw/zinc/99/29/60/649992960.db2.gz BHPOVEVFDNODQY-INIZCTEOSA-N 2 1 341.500 -0.030 20 30 EBEDMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCN1CCOCC1 ZINC000303988968 649993065 /nfs/dbraw/zinc/99/30/65/649993065.db2.gz XBTUAZXOSWQEQJ-OAHLLOKOSA-N 2 1 327.473 -0.276 20 30 EBEDMP C#CCN(C(=O)C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)C1CC[NH+](C)CC1 ZINC000910887749 650136085 /nfs/dbraw/zinc/13/60/85/650136085.db2.gz UBHPWPDNFGXIOJ-BEFAXECRSA-N 2 1 346.475 -0.048 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C#N)C1 ZINC000912535972 650206913 /nfs/dbraw/zinc/20/69/13/650206913.db2.gz PRVYXVGCMVCPFL-SOUVJXGZSA-N 2 1 333.436 -0.547 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H](C#N)C2)C1 ZINC000912535972 650206915 /nfs/dbraw/zinc/20/69/15/650206915.db2.gz PRVYXVGCMVCPFL-SOUVJXGZSA-N 2 1 333.436 -0.547 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H](C#N)C2)C1 ZINC000912535972 650206919 /nfs/dbraw/zinc/20/69/19/650206919.db2.gz PRVYXVGCMVCPFL-SOUVJXGZSA-N 2 1 333.436 -0.547 20 30 EBEDMP C#CCN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000929749931 651563125 /nfs/dbraw/zinc/56/31/25/651563125.db2.gz UGDNQMMSPHYYPZ-AWEZNQCLSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000954631622 719802943 /nfs/dbraw/zinc/80/29/43/719802943.db2.gz HSQLXHKUQWCJSZ-ZBFHGGJFSA-N 2 1 332.448 -0.295 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954631622 719802949 /nfs/dbraw/zinc/80/29/49/719802949.db2.gz HSQLXHKUQWCJSZ-ZBFHGGJFSA-N 2 1 332.448 -0.295 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000954631622 719802957 /nfs/dbraw/zinc/80/29/57/719802957.db2.gz HSQLXHKUQWCJSZ-ZBFHGGJFSA-N 2 1 332.448 -0.295 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000954631622 719802964 /nfs/dbraw/zinc/80/29/64/719802964.db2.gz HSQLXHKUQWCJSZ-ZBFHGGJFSA-N 2 1 332.448 -0.295 20 30 EBEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](O)C1 ZINC000958076625 722301421 /nfs/dbraw/zinc/30/14/21/722301421.db2.gz ITMGCBGSJVAQOA-GDBMZVCRSA-N 2 1 333.436 -0.510 20 30 EBEDMP CC#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000958468180 722371557 /nfs/dbraw/zinc/37/15/57/722371557.db2.gz SULREFSRZQKARW-ZBFHGGJFSA-N 2 1 333.436 -0.510 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cn(C)nn2)C1 ZINC000961939985 723126702 /nfs/dbraw/zinc/12/67/02/723126702.db2.gz LJTJGPPSCGFKBA-XUJLQICISA-N 2 1 330.436 -0.103 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)CC1 ZINC000962772337 723321516 /nfs/dbraw/zinc/32/15/16/723321516.db2.gz IKQFJKBDCQNOMH-XUWVNRHRSA-N 2 1 330.432 -0.734 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCN(C)C4=O)C[C@H]32)CC1 ZINC000962777231 723322321 /nfs/dbraw/zinc/32/23/21/723322321.db2.gz OCCHLSZILKEYJO-VVLHAWIVSA-N 2 1 344.459 -0.391 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC000968954188 725134036 /nfs/dbraw/zinc/13/40/36/725134036.db2.gz BZUCAXRZGIDAHS-OAGGEKHMSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC000968954188 725134039 /nfs/dbraw/zinc/13/40/39/725134039.db2.gz BZUCAXRZGIDAHS-OAGGEKHMSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+]([C@@H](C)C(=O)NC)C2)CC1 ZINC000970921708 725342261 /nfs/dbraw/zinc/34/22/61/725342261.db2.gz RQUDURZMPBSMDM-KBPBESRZSA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC000991759175 725608530 /nfs/dbraw/zinc/60/85/30/725608530.db2.gz CQUFFVWJVMWZJC-UHFFFAOYSA-N 2 1 343.431 -0.136 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000973102713 725638992 /nfs/dbraw/zinc/63/89/92/725638992.db2.gz KBUTWNTYPGGMIO-FPCVCCKLSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000973102713 725638996 /nfs/dbraw/zinc/63/89/96/725638996.db2.gz KBUTWNTYPGGMIO-FPCVCCKLSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000973102713 725638998 /nfs/dbraw/zinc/63/89/98/725638998.db2.gz KBUTWNTYPGGMIO-FPCVCCKLSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000973102713 725638999 /nfs/dbraw/zinc/63/89/99/725638999.db2.gz KBUTWNTYPGGMIO-FPCVCCKLSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC000993855554 725954450 /nfs/dbraw/zinc/95/44/50/725954450.db2.gz RMYMWZSSLRXFLL-INIZCTEOSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000994753440 726073448 /nfs/dbraw/zinc/07/34/48/726073448.db2.gz FTIAASVAFNWVNX-INIZCTEOSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000994753440 726073452 /nfs/dbraw/zinc/07/34/52/726073452.db2.gz FTIAASVAFNWVNX-INIZCTEOSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000994753440 726073455 /nfs/dbraw/zinc/07/34/55/726073455.db2.gz FTIAASVAFNWVNX-INIZCTEOSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000994753440 726073459 /nfs/dbraw/zinc/07/34/59/726073459.db2.gz FTIAASVAFNWVNX-INIZCTEOSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000994755078 726074094 /nfs/dbraw/zinc/07/40/94/726074094.db2.gz PWFDWQMAVMCKOP-HOCLYGCPSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000994755078 726074099 /nfs/dbraw/zinc/07/40/99/726074099.db2.gz PWFDWQMAVMCKOP-HOCLYGCPSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000994755078 726074102 /nfs/dbraw/zinc/07/41/02/726074102.db2.gz PWFDWQMAVMCKOP-HOCLYGCPSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000994755078 726074107 /nfs/dbraw/zinc/07/41/07/726074107.db2.gz PWFDWQMAVMCKOP-HOCLYGCPSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]21 ZINC000976735789 726401903 /nfs/dbraw/zinc/40/19/03/726401903.db2.gz LOBNLKUUSMYCID-DMRKSPOLSA-N 2 1 344.459 -0.249 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]21 ZINC000976735789 726401906 /nfs/dbraw/zinc/40/19/06/726401906.db2.gz LOBNLKUUSMYCID-DMRKSPOLSA-N 2 1 344.459 -0.249 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]21 ZINC000976735789 726401908 /nfs/dbraw/zinc/40/19/08/726401908.db2.gz LOBNLKUUSMYCID-DMRKSPOLSA-N 2 1 344.459 -0.249 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]21 ZINC000976735789 726401910 /nfs/dbraw/zinc/40/19/10/726401910.db2.gz LOBNLKUUSMYCID-DMRKSPOLSA-N 2 1 344.459 -0.249 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001011160219 727478511 /nfs/dbraw/zinc/47/85/11/727478511.db2.gz QIPXNTDJHGWDPU-QGZVFWFLSA-N 2 1 346.475 -0.046 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001016337328 728458457 /nfs/dbraw/zinc/45/84/57/728458457.db2.gz QZTZLCLXUKSVIH-HUUCEWRRSA-N 2 1 346.431 -0.673 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001016337328 728458458 /nfs/dbraw/zinc/45/84/58/728458458.db2.gz QZTZLCLXUKSVIH-HUUCEWRRSA-N 2 1 346.431 -0.673 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)CC1 ZINC001019813399 728998227 /nfs/dbraw/zinc/99/82/27/728998227.db2.gz CYQRVDIBFZDZED-AWEZNQCLSA-N 2 1 331.424 -0.754 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001020250804 729114954 /nfs/dbraw/zinc/11/49/54/729114954.db2.gz RNJQYAYTQRKGDP-JYJNAYRXSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001020250804 729114959 /nfs/dbraw/zinc/11/49/59/729114959.db2.gz RNJQYAYTQRKGDP-JYJNAYRXSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001025814083 730095659 /nfs/dbraw/zinc/09/56/59/730095659.db2.gz PBQDRHZMCURNPD-ZVDSWSACSA-N 2 1 330.432 -0.639 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001025814083 730095663 /nfs/dbraw/zinc/09/56/63/730095663.db2.gz PBQDRHZMCURNPD-ZVDSWSACSA-N 2 1 330.432 -0.639 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001025814083 730095664 /nfs/dbraw/zinc/09/56/64/730095664.db2.gz PBQDRHZMCURNPD-ZVDSWSACSA-N 2 1 330.432 -0.639 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001025814083 730095666 /nfs/dbraw/zinc/09/56/66/730095666.db2.gz PBQDRHZMCURNPD-ZVDSWSACSA-N 2 1 330.432 -0.639 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC001026893872 730168524 /nfs/dbraw/zinc/16/85/24/730168524.db2.gz PKNLGIPSIKTWNT-CABCVRRESA-N 2 1 330.436 -0.149 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC001026893872 730168525 /nfs/dbraw/zinc/16/85/25/730168525.db2.gz PKNLGIPSIKTWNT-CABCVRRESA-N 2 1 330.436 -0.149 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001031742351 730760512 /nfs/dbraw/zinc/76/05/12/730760512.db2.gz BRNNGWSSJHHTDY-SJORKVTESA-N 2 1 345.447 -0.610 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001031742351 730760513 /nfs/dbraw/zinc/76/05/13/730760513.db2.gz BRNNGWSSJHHTDY-SJORKVTESA-N 2 1 345.447 -0.610 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+]([C@H](C)C(=O)NC)C2)CC1 ZINC001033684602 731063129 /nfs/dbraw/zinc/06/31/29/731063129.db2.gz OXFPCQQFLUFCJM-GDBMZVCRSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+]([C@H](C)C(=O)NC)C2)CC1 ZINC001033684602 731063132 /nfs/dbraw/zinc/06/31/32/731063132.db2.gz OXFPCQQFLUFCJM-GDBMZVCRSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCCNC1=O ZINC001034962022 731168870 /nfs/dbraw/zinc/16/88/70/731168870.db2.gz DJGNHKMLNHAGCT-PMPSAXMXSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCCNC1=O ZINC001034962022 731168874 /nfs/dbraw/zinc/16/88/74/731168874.db2.gz DJGNHKMLNHAGCT-PMPSAXMXSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001046036675 733820720 /nfs/dbraw/zinc/82/07/20/733820720.db2.gz NOQPXYNVHUCFNJ-ROUUACIJSA-N 2 1 348.491 -0.315 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046036675 733820721 /nfs/dbraw/zinc/82/07/21/733820721.db2.gz NOQPXYNVHUCFNJ-ROUUACIJSA-N 2 1 348.491 -0.315 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH+](CCCO)C2)CC1 ZINC001046036675 733820724 /nfs/dbraw/zinc/82/07/24/733820724.db2.gz NOQPXYNVHUCFNJ-ROUUACIJSA-N 2 1 348.491 -0.315 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH+](CCCO)C2)CC1 ZINC001046036675 733820727 /nfs/dbraw/zinc/82/07/27/733820727.db2.gz NOQPXYNVHUCFNJ-ROUUACIJSA-N 2 1 348.491 -0.315 20 30 EBEDMP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC001046072352 733846453 /nfs/dbraw/zinc/84/64/53/733846453.db2.gz YLKWPALFMIKRIC-SFHVURJKSA-N 2 1 348.491 -0.050 20 30 EBEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC001046072352 733846457 /nfs/dbraw/zinc/84/64/57/733846457.db2.gz YLKWPALFMIKRIC-SFHVURJKSA-N 2 1 348.491 -0.050 20 30 EBEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)CC2)C1 ZINC001046083996 733856039 /nfs/dbraw/zinc/85/60/39/733856039.db2.gz GVMLLZUGLALKJW-QZTJIDSGSA-N 2 1 348.491 -0.194 20 30 EBEDMP C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001055632697 736416690 /nfs/dbraw/zinc/41/66/90/736416690.db2.gz ZASLVPDVPPMYAI-KBPBESRZSA-N 2 1 335.452 -0.205 20 30 EBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069929111 740622202 /nfs/dbraw/zinc/62/22/02/740622202.db2.gz VLDJGITVWKXZTD-ZACQAIPSSA-N 2 1 342.447 -0.015 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCC=C)C[C@@H]2O)CC1 ZINC001221066020 811359637 /nfs/dbraw/zinc/35/96/37/811359637.db2.gz ATZKVCWTPHNDKN-SJORKVTESA-N 2 1 335.448 -0.305 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001221883677 811556521 /nfs/dbraw/zinc/55/65/21/811556521.db2.gz PZYVHFWEXOBLGJ-BZUAXINKSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001221883677 811556525 /nfs/dbraw/zinc/55/65/25/811556525.db2.gz PZYVHFWEXOBLGJ-BZUAXINKSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2C)CC1 ZINC001080998153 812434211 /nfs/dbraw/zinc/43/42/11/812434211.db2.gz VBFLXNKJGDLSAS-FVQBIDKESA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2C)CC1 ZINC001080998153 812434215 /nfs/dbraw/zinc/43/42/15/812434215.db2.gz VBFLXNKJGDLSAS-FVQBIDKESA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC)C[C@H]2C)CC1 ZINC001080998122 812434752 /nfs/dbraw/zinc/43/47/52/812434752.db2.gz TWADCLRAZAVGTR-IJEWVQPXSA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]2C)CC1 ZINC001080998122 812434754 /nfs/dbraw/zinc/43/47/54/812434754.db2.gz TWADCLRAZAVGTR-IJEWVQPXSA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001263867430 813131231 /nfs/dbraw/zinc/13/12/31/813131231.db2.gz YFLACEWBBROYLQ-KKUMJFAQSA-N 2 1 331.420 -0.186 20 30 EBEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001264080714 813147542 /nfs/dbraw/zinc/14/75/42/813147542.db2.gz UNAHMDMJWOXYNB-IRXDYDNUSA-N 2 1 337.464 -0.127 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001264408518 813172306 /nfs/dbraw/zinc/17/23/06/813172306.db2.gz KRPJUOAGYLTCGJ-FPCVCCKLSA-N 2 1 334.464 -0.050 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001265435499 813323306 /nfs/dbraw/zinc/32/33/06/813323306.db2.gz HQPAVNDPFSQCCO-JYJNAYRXSA-N 2 1 330.432 -0.588 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001265435499 813323313 /nfs/dbraw/zinc/32/33/13/813323313.db2.gz HQPAVNDPFSQCCO-JYJNAYRXSA-N 2 1 330.432 -0.588 20 30 EBEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001265609648 813349842 /nfs/dbraw/zinc/34/98/42/813349842.db2.gz UOEZYHAWYIVAND-RBSFLKMASA-N 2 1 335.452 -0.205 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2C[C@@H](O)COC)CC1 ZINC001266494913 813584195 /nfs/dbraw/zinc/58/41/95/813584195.db2.gz CNLRRDRJXLROCE-DLBZAZTESA-N 2 1 337.464 -0.081 20 30 EBEDMP N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001266626400 813626944 /nfs/dbraw/zinc/62/69/44/813626944.db2.gz IISOWOQINUKUGE-KBUPBQIOSA-N 2 1 333.436 -0.120 20 30 EBEDMP C[N@H+](CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1)Cc1ccccc1 ZINC001267026383 813738573 /nfs/dbraw/zinc/73/85/73/813738573.db2.gz DWLHVSWPLGNSHT-INIZCTEOSA-N 2 1 343.431 -0.051 20 30 EBEDMP C[N@@H+](CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1)Cc1ccccc1 ZINC001267026383 813738579 /nfs/dbraw/zinc/73/85/79/813738579.db2.gz DWLHVSWPLGNSHT-INIZCTEOSA-N 2 1 343.431 -0.051 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001267297995 813831704 /nfs/dbraw/zinc/83/17/04/813831704.db2.gz LQCGIZHMMWGAPY-CQSZACIVSA-N 2 1 333.436 -0.307 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001267297995 813831713 /nfs/dbraw/zinc/83/17/13/813831713.db2.gz LQCGIZHMMWGAPY-CQSZACIVSA-N 2 1 333.436 -0.307 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)C[C@H](O)COC)C1 ZINC001267584989 813942757 /nfs/dbraw/zinc/94/27/57/813942757.db2.gz MCKVMFVUDZYHTA-ULQDDVLXSA-N 2 1 337.464 -0.128 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)C[C@H](O)COC)C1 ZINC001267584989 813942760 /nfs/dbraw/zinc/94/27/60/813942760.db2.gz MCKVMFVUDZYHTA-ULQDDVLXSA-N 2 1 337.464 -0.128 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)C[C@H](O)COC)C1 ZINC001267584989 813942763 /nfs/dbraw/zinc/94/27/63/813942763.db2.gz MCKVMFVUDZYHTA-ULQDDVLXSA-N 2 1 337.464 -0.128 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)C[C@H](O)COC)C1 ZINC001267584989 813942769 /nfs/dbraw/zinc/94/27/69/813942769.db2.gz MCKVMFVUDZYHTA-ULQDDVLXSA-N 2 1 337.464 -0.128 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)C[C@@H](O)COC)C1 ZINC001267584987 813943551 /nfs/dbraw/zinc/94/35/51/813943551.db2.gz MCKVMFVUDZYHTA-BBWFWOEESA-N 2 1 337.464 -0.128 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)C[C@@H](O)COC)C1 ZINC001267584987 813943559 /nfs/dbraw/zinc/94/35/59/813943559.db2.gz MCKVMFVUDZYHTA-BBWFWOEESA-N 2 1 337.464 -0.128 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)C[C@@H](O)COC)C1 ZINC001267584987 813943565 /nfs/dbraw/zinc/94/35/65/813943565.db2.gz MCKVMFVUDZYHTA-BBWFWOEESA-N 2 1 337.464 -0.128 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)C[C@@H](O)COC)C1 ZINC001267584987 813943573 /nfs/dbraw/zinc/94/35/73/813943573.db2.gz MCKVMFVUDZYHTA-BBWFWOEESA-N 2 1 337.464 -0.128 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cncn2)C1 ZINC001082568883 813969748 /nfs/dbraw/zinc/96/97/48/813969748.db2.gz WWMDIKSAFAVVCK-OAGGEKHMSA-N 2 1 330.436 -0.188 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cncn2)C1 ZINC001082568883 813969755 /nfs/dbraw/zinc/96/97/55/813969755.db2.gz WWMDIKSAFAVVCK-OAGGEKHMSA-N 2 1 330.436 -0.188 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082568590 813970128 /nfs/dbraw/zinc/97/01/28/813970128.db2.gz GDIMVABAPSBFOU-OAGGEKHMSA-N 2 1 347.463 -0.454 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082568590 813970131 /nfs/dbraw/zinc/97/01/31/813970131.db2.gz GDIMVABAPSBFOU-OAGGEKHMSA-N 2 1 347.463 -0.454 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C1 ZINC001267659217 813976276 /nfs/dbraw/zinc/97/62/76/813976276.db2.gz XEWBMYKMNYXGRY-HOTGVXAUSA-N 2 1 345.447 -0.496 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NCC#N)C1 ZINC001267659217 813976280 /nfs/dbraw/zinc/97/62/80/813976280.db2.gz XEWBMYKMNYXGRY-HOTGVXAUSA-N 2 1 345.447 -0.496 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC(=O)NCC#N)C1 ZINC001267659217 813976285 /nfs/dbraw/zinc/97/62/85/813976285.db2.gz XEWBMYKMNYXGRY-HOTGVXAUSA-N 2 1 345.447 -0.496 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC(=O)NCC#N)C1 ZINC001267659217 813976289 /nfs/dbraw/zinc/97/62/89/813976289.db2.gz XEWBMYKMNYXGRY-HOTGVXAUSA-N 2 1 345.447 -0.496 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCOCCO)C2)CC1 ZINC001268151277 814135196 /nfs/dbraw/zinc/13/51/96/814135196.db2.gz SNKQULPKJASSSE-QGZVFWFLSA-N 2 1 337.464 -0.079 20 30 EBEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001269148437 814552791 /nfs/dbraw/zinc/55/27/91/814552791.db2.gz CKSXEPQRGZKLNF-HUUCEWRRSA-N 2 1 335.452 -0.015 20 30 EBEDMP C[N@H+]1CC[C@@H](C(=O)NCc2ccc(C[NH2+]CC(=O)NCC#N)cc2)C1 ZINC001270082400 815684256 /nfs/dbraw/zinc/68/42/56/815684256.db2.gz WPQUFIUSPPRMIW-MRXNPFEDSA-N 2 1 343.431 -0.016 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001271217146 816039741 /nfs/dbraw/zinc/03/97/41/816039741.db2.gz SMHQFJYSBACFEB-UONOGXRCSA-N 2 1 326.441 -0.554 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001271217146 816039748 /nfs/dbraw/zinc/03/97/48/816039748.db2.gz SMHQFJYSBACFEB-UONOGXRCSA-N 2 1 326.441 -0.554 20 30 EBEDMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NCC#N)CC2(C)C)C1 ZINC001274460084 816968587 /nfs/dbraw/zinc/96/85/87/816968587.db2.gz LAYJKJOYDBMMMY-UONOGXRCSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NCC#N)CC2(C)C)C1 ZINC001274460084 816968595 /nfs/dbraw/zinc/96/85/95/816968595.db2.gz LAYJKJOYDBMMMY-UONOGXRCSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)CC2(C)C)C1 ZINC001274460084 816968599 /nfs/dbraw/zinc/96/85/99/816968599.db2.gz LAYJKJOYDBMMMY-UONOGXRCSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)CC2(C)C)C1 ZINC001274460084 816968606 /nfs/dbraw/zinc/96/86/06/816968606.db2.gz LAYJKJOYDBMMMY-UONOGXRCSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CC(=O)NCC#N ZINC001274654393 817059845 /nfs/dbraw/zinc/05/98/45/817059845.db2.gz OCCZAFXAIDGASN-KGLIPLIRSA-N 2 1 333.436 -0.309 20 30 EBEDMP C[C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CC(=O)NCC#N ZINC001274654393 817059856 /nfs/dbraw/zinc/05/98/56/817059856.db2.gz OCCZAFXAIDGASN-KGLIPLIRSA-N 2 1 333.436 -0.309 20 30 EBEDMP C[C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CC(=O)NCC#N ZINC001274654399 817060172 /nfs/dbraw/zinc/06/01/72/817060172.db2.gz OCCZAFXAIDGASN-ZIAGYGMSSA-N 2 1 333.436 -0.309 20 30 EBEDMP C[C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CC(=O)NCC#N ZINC001274654399 817060180 /nfs/dbraw/zinc/06/01/80/817060180.db2.gz OCCZAFXAIDGASN-ZIAGYGMSSA-N 2 1 333.436 -0.309 20 30 EBEDMP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CC(=O)NCC#N)C3)C2)C1 ZINC001277537566 817596586 /nfs/dbraw/zinc/59/65/86/817596586.db2.gz HIECXAWFWKAMAE-RHSMWYFYSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CC(=O)NCC#N)C3)C2)C1 ZINC001277537566 817596593 /nfs/dbraw/zinc/59/65/93/817596593.db2.gz HIECXAWFWKAMAE-RHSMWYFYSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@@]3(CC[N@H+](CC(=O)NCC#N)C3)C2)C1 ZINC001277537566 817596596 /nfs/dbraw/zinc/59/65/96/817596596.db2.gz HIECXAWFWKAMAE-RHSMWYFYSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@@]3(CC[N@@H+](CC(=O)NCC#N)C3)C2)C1 ZINC001277537566 817596599 /nfs/dbraw/zinc/59/65/99/817596599.db2.gz HIECXAWFWKAMAE-RHSMWYFYSA-N 2 1 333.436 -0.498 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCn1nc(C)nc1C ZINC001278094596 817695808 /nfs/dbraw/zinc/69/58/08/817695808.db2.gz YBDOILDYPCDFEN-HOTGVXAUSA-N 2 1 348.451 -0.941 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCn1nc(C)nc1C ZINC001278094596 817695814 /nfs/dbraw/zinc/69/58/14/817695814.db2.gz YBDOILDYPCDFEN-HOTGVXAUSA-N 2 1 348.451 -0.941 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001279585456 817955955 /nfs/dbraw/zinc/95/59/55/817955955.db2.gz BNUSTIJACQKEOF-HOTGVXAUSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001279585456 817955960 /nfs/dbraw/zinc/95/59/60/817955960.db2.gz BNUSTIJACQKEOF-HOTGVXAUSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001279631468 817961384 /nfs/dbraw/zinc/96/13/84/817961384.db2.gz WTQHAHPYMBCZHU-JKSUJKDBSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001279631468 817961385 /nfs/dbraw/zinc/96/13/85/817961385.db2.gz WTQHAHPYMBCZHU-JKSUJKDBSA-N 2 1 332.448 -0.246 20 30 EBEDMP C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC(=O)NCC#N ZINC001281674678 818258240 /nfs/dbraw/zinc/25/82/40/818258240.db2.gz IMOXKSAWRZHFJH-UONOGXRCSA-N 2 1 335.452 -0.063 20 30 EBEDMP C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CC(=O)NCC#N ZINC001281674678 818258244 /nfs/dbraw/zinc/25/82/44/818258244.db2.gz IMOXKSAWRZHFJH-UONOGXRCSA-N 2 1 335.452 -0.063 20 30 EBEDMP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2=O)C1 ZINC001094738818 818394239 /nfs/dbraw/zinc/39/42/39/818394239.db2.gz OKUQAHKOAHEDIX-IJEWVQPXSA-N 2 1 332.448 -0.249 20 30 EBEDMP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2=O)C1 ZINC001094738818 818394245 /nfs/dbraw/zinc/39/42/45/818394245.db2.gz OKUQAHKOAHEDIX-IJEWVQPXSA-N 2 1 332.448 -0.249 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001282876335 818513667 /nfs/dbraw/zinc/51/36/67/818513667.db2.gz UWCKAELPCJQOSP-YHUYYLMFSA-N 2 1 346.475 -0.240 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CC)C3)C2)CC1 ZINC001094818743 818514428 /nfs/dbraw/zinc/51/44/28/818514428.db2.gz GNSVSAAPTCTLKZ-OAHLLOKOSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1C ZINC001283553655 818853897 /nfs/dbraw/zinc/85/38/97/818853897.db2.gz AGMYCBALOITPIZ-OAHLLOKOSA-N 2 1 331.420 -0.232 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001283712811 818914141 /nfs/dbraw/zinc/91/41/41/818914141.db2.gz CSGNVRDZBNCQEW-STQMWFEESA-N 2 1 339.440 -0.614 20 30 EBEDMP COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001283804551 818961513 /nfs/dbraw/zinc/96/15/13/818961513.db2.gz MNQVIAQHKJKJBV-RHSMWYFYSA-N 2 1 343.443 -0.085 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)C(C)(C)C1 ZINC001284310247 819178563 /nfs/dbraw/zinc/17/85/63/819178563.db2.gz PBOUBGZFNUHANA-ZDUSSCGKSA-N 2 1 332.408 -0.342 20 30 EBEDMP COCC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001284501893 819258030 /nfs/dbraw/zinc/25/80/30/819258030.db2.gz KFABEAFEDIMZSP-CVEARBPZSA-N 2 1 325.453 -0.128 20 30 EBEDMP COCC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001284501893 819258039 /nfs/dbraw/zinc/25/80/39/819258039.db2.gz KFABEAFEDIMZSP-CVEARBPZSA-N 2 1 325.453 -0.128 20 30 EBEDMP COCC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001284501893 819258046 /nfs/dbraw/zinc/25/80/46/819258046.db2.gz KFABEAFEDIMZSP-CVEARBPZSA-N 2 1 325.453 -0.128 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001284527234 819273471 /nfs/dbraw/zinc/27/34/71/819273471.db2.gz MJAUNAKXGHXIIK-MRXNPFEDSA-N 2 1 334.464 -0.142 20 30 EBEDMP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001284819155 819360811 /nfs/dbraw/zinc/36/08/11/819360811.db2.gz UBCWDYNDQBBELS-NRXISQOPSA-N 2 1 338.452 -0.412 20 30 EBEDMP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001284819155 819360816 /nfs/dbraw/zinc/36/08/16/819360816.db2.gz UBCWDYNDQBBELS-NRXISQOPSA-N 2 1 338.452 -0.412 20 30 EBEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001099892624 819845312 /nfs/dbraw/zinc/84/53/12/819845312.db2.gz MNNIHPMTDCCLDJ-CVEARBPZSA-N 2 1 337.464 -0.081 20 30 EBEDMP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC#CCOC)C[C@H]1O ZINC001100083070 820182011 /nfs/dbraw/zinc/18/20/11/820182011.db2.gz MQMJTWQSNWNVLE-HZPDHXFCSA-N 2 1 325.453 -0.081 20 30 EBEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC#CCOC)C[C@H]1O ZINC001100083070 820182015 /nfs/dbraw/zinc/18/20/15/820182015.db2.gz MQMJTWQSNWNVLE-HZPDHXFCSA-N 2 1 325.453 -0.081 20 30 EBEDMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC#CCOC)C[C@H]1O ZINC001100083070 820182017 /nfs/dbraw/zinc/18/20/17/820182017.db2.gz MQMJTWQSNWNVLE-HZPDHXFCSA-N 2 1 325.453 -0.081 20 30 EBEDMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC#CCOC)C[C@H]1O ZINC001100083070 820182023 /nfs/dbraw/zinc/18/20/23/820182023.db2.gz MQMJTWQSNWNVLE-HZPDHXFCSA-N 2 1 325.453 -0.081 20 30 EBEDMP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3C[NH+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101432373 820789974 /nfs/dbraw/zinc/78/99/74/820789974.db2.gz OWUBNMCAOYVXSH-RKVPGOIHSA-N 2 1 347.463 -0.252 20 30 EBEDMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3C[NH+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101432373 820789981 /nfs/dbraw/zinc/78/99/81/820789981.db2.gz OWUBNMCAOYVXSH-RKVPGOIHSA-N 2 1 347.463 -0.252 20 30 EBEDMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3C[N@H+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101432373 820789988 /nfs/dbraw/zinc/78/99/88/820789988.db2.gz OWUBNMCAOYVXSH-RKVPGOIHSA-N 2 1 347.463 -0.252 20 30 EBEDMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101432373 820789992 /nfs/dbraw/zinc/78/99/92/820789992.db2.gz OWUBNMCAOYVXSH-RKVPGOIHSA-N 2 1 347.463 -0.252 20 30 EBEDMP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101438645 820791769 /nfs/dbraw/zinc/79/17/69/820791769.db2.gz LQONFDKPIHYDCT-PBHICJAKSA-N 2 1 335.452 -0.252 20 30 EBEDMP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101438645 820791771 /nfs/dbraw/zinc/79/17/71/820791771.db2.gz LQONFDKPIHYDCT-PBHICJAKSA-N 2 1 335.452 -0.252 20 30 EBEDMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101438645 820791773 /nfs/dbraw/zinc/79/17/73/820791773.db2.gz LQONFDKPIHYDCT-PBHICJAKSA-N 2 1 335.452 -0.252 20 30 EBEDMP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101438645 820791777 /nfs/dbraw/zinc/79/17/77/820791777.db2.gz LQONFDKPIHYDCT-PBHICJAKSA-N 2 1 335.452 -0.252 20 30 EBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001102119235 821032129 /nfs/dbraw/zinc/03/21/29/821032129.db2.gz CBZYYHOJGAWPIN-HUUCEWRRSA-N 2 1 347.463 -0.061 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514487 821135076 /nfs/dbraw/zinc/13/50/76/821135076.db2.gz YSQSSHRZZPLGAV-OWCLPIDISA-N 2 1 346.475 -0.096 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001297072099 821313010 /nfs/dbraw/zinc/31/30/10/821313010.db2.gz FOIGWPIVWPQWIH-UHFFFAOYSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001103999810 821385510 /nfs/dbraw/zinc/38/55/10/821385510.db2.gz LLBKGSDUBXGVRX-BZUAXINKSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105007953 821570919 /nfs/dbraw/zinc/57/09/19/821570919.db2.gz JRMQSCYRRVRJBI-OAGGEKHMSA-N 2 1 334.464 -0.238 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2C[C@@H](O)COC)CC1 ZINC001316609679 821814195 /nfs/dbraw/zinc/81/41/95/821814195.db2.gz FHSRQZHDDYAAKI-IAGOWNOFSA-N 2 1 337.464 -0.128 20 30 EBEDMP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CC(=O)NCC#N)CC[C@@H]3C2)C1 ZINC001316756126 821846451 /nfs/dbraw/zinc/84/64/51/821846451.db2.gz APUUSVGFJMRRJP-OAGGEKHMSA-N 2 1 347.463 -0.252 20 30 EBEDMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[NH+](CC(=O)NCC#N)CC[C@@H]3C2)C1 ZINC001316756126 821846456 /nfs/dbraw/zinc/84/64/56/821846456.db2.gz APUUSVGFJMRRJP-OAGGEKHMSA-N 2 1 347.463 -0.252 20 30 EBEDMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](CC(=O)NCC#N)CC[C@@H]3C2)C1 ZINC001316756126 821846464 /nfs/dbraw/zinc/84/64/64/821846464.db2.gz APUUSVGFJMRRJP-OAGGEKHMSA-N 2 1 347.463 -0.252 20 30 EBEDMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](CC(=O)NCC#N)CC[C@@H]3C2)C1 ZINC001316756126 821846465 /nfs/dbraw/zinc/84/64/65/821846465.db2.gz APUUSVGFJMRRJP-OAGGEKHMSA-N 2 1 347.463 -0.252 20 30 EBEDMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1)CC2 ZINC001317117710 822007766 /nfs/dbraw/zinc/00/77/66/822007766.db2.gz XWMRDPXFYZDPIT-MCIONIFRSA-N 2 1 344.419 -0.370 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317287364 822065295 /nfs/dbraw/zinc/06/52/95/822065295.db2.gz AVVLYFAWCKJPFO-VXGBXAGGSA-N 2 1 325.413 -0.956 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317287361 822065404 /nfs/dbraw/zinc/06/54/04/822065404.db2.gz AVVLYFAWCKJPFO-NWDGAFQWSA-N 2 1 325.413 -0.956 20 30 EBEDMP C=CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001317292709 822069668 /nfs/dbraw/zinc/06/96/68/822069668.db2.gz WNWMRFHBNICROT-GJZGRUSLSA-N 2 1 338.452 -0.553 20 30 EBEDMP C=CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001317292709 822069675 /nfs/dbraw/zinc/06/96/75/822069675.db2.gz WNWMRFHBNICROT-GJZGRUSLSA-N 2 1 338.452 -0.553 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCN1CCNC1=O ZINC001317397076 822100188 /nfs/dbraw/zinc/10/01/88/822100188.db2.gz SIQKYVOMVPAVSX-CABCVRRESA-N 2 1 335.452 -0.406 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCN1CCNC1=O ZINC001317397076 822100194 /nfs/dbraw/zinc/10/01/94/822100194.db2.gz SIQKYVOMVPAVSX-CABCVRRESA-N 2 1 335.452 -0.406 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106321931 822247125 /nfs/dbraw/zinc/24/71/25/822247125.db2.gz HUNJHUWBTVESHK-OAGGEKHMSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106663225 822308391 /nfs/dbraw/zinc/30/83/91/822308391.db2.gz WZZKWTUQBNUSEY-BZUAXINKSA-N 2 1 334.464 -0.096 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129535711 828632276 /nfs/dbraw/zinc/63/22/76/828632276.db2.gz ZDVKPJBBESDPFQ-GFCCVEGCSA-N 2 1 339.440 -0.423 20 30 EBEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717498 828658989 /nfs/dbraw/zinc/65/89/89/828658989.db2.gz LRUJITISXDHRKI-PMPSAXMXSA-N 2 1 348.451 -0.084 20 30 EBEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717498 828658992 /nfs/dbraw/zinc/65/89/92/828658992.db2.gz LRUJITISXDHRKI-PMPSAXMXSA-N 2 1 348.451 -0.084 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001129791097 828670647 /nfs/dbraw/zinc/67/06/47/828670647.db2.gz RMSOCCFTUWXHSV-ZDUSSCGKSA-N 2 1 349.435 -0.880 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001129791097 828670650 /nfs/dbraw/zinc/67/06/50/828670650.db2.gz RMSOCCFTUWXHSV-ZDUSSCGKSA-N 2 1 349.435 -0.880 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129855600 828681485 /nfs/dbraw/zinc/68/14/85/828681485.db2.gz HKXCEFDEPIJFCV-ZDUSSCGKSA-N 2 1 339.440 -0.422 20 30 EBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001130041050 828720148 /nfs/dbraw/zinc/72/01/48/828720148.db2.gz ZHDWLJAUSGWFLV-CVEARBPZSA-N 2 1 346.435 -0.635 20 30 EBEDMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC#N)C2)[NH+](C)C ZINC001111875360 825332212 /nfs/dbraw/zinc/33/22/12/825332212.db2.gz YGVYSEDLDZEWIA-ZQIUZPCESA-N 2 1 335.452 -0.063 20 30 EBEDMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC#N)C2)[NH+](C)C ZINC001111875360 825332217 /nfs/dbraw/zinc/33/22/17/825332217.db2.gz YGVYSEDLDZEWIA-ZQIUZPCESA-N 2 1 335.452 -0.063 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC001114519169 826275437 /nfs/dbraw/zinc/27/54/37/826275437.db2.gz VIFWHWFKWLMXIG-FOLVSLTJSA-N 2 1 330.432 -0.589 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC001114519169 826275440 /nfs/dbraw/zinc/27/54/40/826275440.db2.gz VIFWHWFKWLMXIG-FOLVSLTJSA-N 2 1 330.432 -0.589 20 30 EBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC001114519256 826275574 /nfs/dbraw/zinc/27/55/74/826275574.db2.gz WDVZWTQDIAIVNB-FOLVSLTJSA-N 2 1 332.448 -0.037 20 30 EBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC001114519256 826275581 /nfs/dbraw/zinc/27/55/81/826275581.db2.gz WDVZWTQDIAIVNB-FOLVSLTJSA-N 2 1 332.448 -0.037 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001114838085 826352139 /nfs/dbraw/zinc/35/21/39/826352139.db2.gz QPKVPMUIDQJMRF-HALDLXJZSA-N 2 1 332.448 -0.486 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001114838085 826352147 /nfs/dbraw/zinc/35/21/47/826352147.db2.gz QPKVPMUIDQJMRF-HALDLXJZSA-N 2 1 332.448 -0.486 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001114838085 826352152 /nfs/dbraw/zinc/35/21/52/826352152.db2.gz QPKVPMUIDQJMRF-HALDLXJZSA-N 2 1 332.448 -0.486 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001114838085 826352160 /nfs/dbraw/zinc/35/21/60/826352160.db2.gz QPKVPMUIDQJMRF-HALDLXJZSA-N 2 1 332.448 -0.486 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CCOCCO)C[C@H]32)CC1 ZINC001115289974 826495482 /nfs/dbraw/zinc/49/54/82/826495482.db2.gz LKTWFJSLYMWNBM-FVQHAEBGSA-N 2 1 335.448 -0.613 20 30 EBEDMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NCC#N)C2 ZINC001120847875 827265262 /nfs/dbraw/zinc/26/52/62/827265262.db2.gz PHAXVZUSGVIWNT-OPFKTAGGSA-N 2 1 333.436 -0.263 20 30 EBEDMP C[N@H+]1CC[C@H](CC(=O)NC2CC3(C2)CC([NH2+]CC(=O)NCC#N)C3)C1 ZINC001122055647 827512345 /nfs/dbraw/zinc/51/23/45/827512345.db2.gz DWDKIMKWZQDIPW-OQDWRCPYSA-N 2 1 347.463 -0.015 20 30 EBEDMP CC(C)[N@@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CC(=O)NCC#N)C2 ZINC001122249806 827556721 /nfs/dbraw/zinc/55/67/21/827556721.db2.gz XOAMMZUXVXLIOQ-UHFFFAOYSA-N 2 1 335.452 -0.017 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001183240559 833284820 /nfs/dbraw/zinc/28/48/20/833284820.db2.gz KJFBBYLTTHKZSG-JKSUJKDBSA-N 2 1 334.464 -0.096 20 30 EBEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125203177 828071979 /nfs/dbraw/zinc/07/19/79/828071979.db2.gz JUJLKRWVJQUHJY-HUUCEWRRSA-N 2 1 340.468 -0.164 20 30 EBEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125203177 828071986 /nfs/dbraw/zinc/07/19/86/828071986.db2.gz JUJLKRWVJQUHJY-HUUCEWRRSA-N 2 1 340.468 -0.164 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127660261 828313410 /nfs/dbraw/zinc/31/34/10/828313410.db2.gz SZJJHGFSUKXRPI-JHJVBQTASA-N 2 1 339.440 -0.567 20 30 EBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC12CCOCC2 ZINC001186318808 833396647 /nfs/dbraw/zinc/39/66/47/833396647.db2.gz ABAVOFXNDBNKTL-CVEARBPZSA-N 2 1 335.448 -0.205 20 30 EBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC12CCOCC2 ZINC001186318808 833396650 /nfs/dbraw/zinc/39/66/50/833396650.db2.gz ABAVOFXNDBNKTL-CVEARBPZSA-N 2 1 335.448 -0.205 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001133313237 829620266 /nfs/dbraw/zinc/62/02/66/829620266.db2.gz BUYNANFETQYAPS-HIFRSBDPSA-N 2 1 346.435 -0.095 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133833894 829680772 /nfs/dbraw/zinc/68/07/72/829680772.db2.gz IXAHUROHZQBTBJ-GFCCVEGCSA-N 2 1 325.413 -0.812 20 30 EBEDMP N#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001133886814 829693348 /nfs/dbraw/zinc/69/33/48/829693348.db2.gz ZGTKHBIWUVDIPT-UHFFFAOYSA-N 2 1 334.380 -0.770 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134804857 829849590 /nfs/dbraw/zinc/84/95/90/829849590.db2.gz LZSYSQNRAHLYMK-OLZOCXBDSA-N 2 1 349.435 -0.028 20 30 EBEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135349857 829952436 /nfs/dbraw/zinc/95/24/36/829952436.db2.gz GFUYXIHFXAMMOS-UHFFFAOYSA-N 2 1 339.440 -0.823 20 30 EBEDMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)C2 ZINC001148284720 830464837 /nfs/dbraw/zinc/46/48/37/830464837.db2.gz BDGWPMOHKLYZFG-KGLIPLIRSA-N 2 1 333.436 -0.642 20 30 EBEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)C2 ZINC001148284720 830464841 /nfs/dbraw/zinc/46/48/41/830464841.db2.gz BDGWPMOHKLYZFG-KGLIPLIRSA-N 2 1 333.436 -0.642 20 30 EBEDMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC#N)C2 ZINC001148284720 830464846 /nfs/dbraw/zinc/46/48/46/830464846.db2.gz BDGWPMOHKLYZFG-KGLIPLIRSA-N 2 1 333.436 -0.642 20 30 EBEDMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC#N)C2 ZINC001148284720 830464852 /nfs/dbraw/zinc/46/48/52/830464852.db2.gz BDGWPMOHKLYZFG-KGLIPLIRSA-N 2 1 333.436 -0.642 20 30 EBEDMP CC1(C)CC[N@H+](CC(=O)N2CC3(C2)CC[NH+](CC(=O)NCC#N)C3)C1 ZINC001148292534 830465031 /nfs/dbraw/zinc/46/50/31/830465031.db2.gz KBCCPKKWOUMHRO-UHFFFAOYSA-N 2 1 347.463 -0.108 20 30 EBEDMP CC1(C)CC[N@@H+](CC(=O)N2CC3(C2)CC[NH+](CC(=O)NCC#N)C3)C1 ZINC001148292534 830465034 /nfs/dbraw/zinc/46/50/34/830465034.db2.gz KBCCPKKWOUMHRO-UHFFFAOYSA-N 2 1 347.463 -0.108 20 30 EBEDMP CC1(C)CC[NH+](CC(=O)N2CC3(C2)CC[N@H+](CC(=O)NCC#N)C3)C1 ZINC001148292534 830465038 /nfs/dbraw/zinc/46/50/38/830465038.db2.gz KBCCPKKWOUMHRO-UHFFFAOYSA-N 2 1 347.463 -0.108 20 30 EBEDMP CC1(C)CC[NH+](CC(=O)N2CC3(C2)CC[N@@H+](CC(=O)NCC#N)C3)C1 ZINC001148292534 830465043 /nfs/dbraw/zinc/46/50/43/830465043.db2.gz KBCCPKKWOUMHRO-UHFFFAOYSA-N 2 1 347.463 -0.108 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148604518 830516572 /nfs/dbraw/zinc/51/65/72/830516572.db2.gz HWGRPQZGVCPECF-HNNXBMFYSA-N 2 1 332.448 -0.388 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001148604518 830516581 /nfs/dbraw/zinc/51/65/81/830516581.db2.gz HWGRPQZGVCPECF-HNNXBMFYSA-N 2 1 332.448 -0.388 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148604518 830516588 /nfs/dbraw/zinc/51/65/88/830516588.db2.gz HWGRPQZGVCPECF-HNNXBMFYSA-N 2 1 332.448 -0.388 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148604518 830516598 /nfs/dbraw/zinc/51/65/98/830516598.db2.gz HWGRPQZGVCPECF-HNNXBMFYSA-N 2 1 332.448 -0.388 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155822109 831433709 /nfs/dbraw/zinc/43/37/09/831433709.db2.gz ITRRYCVXSZSCPH-CHWSQXEVSA-N 2 1 339.440 -0.423 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCCCOC ZINC001160198321 831824692 /nfs/dbraw/zinc/82/46/92/831824692.db2.gz ZYOWEJNUABZKKH-HNNXBMFYSA-N 2 1 338.452 -0.667 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCCCOC ZINC001160198321 831824697 /nfs/dbraw/zinc/82/46/97/831824697.db2.gz ZYOWEJNUABZKKH-HNNXBMFYSA-N 2 1 338.452 -0.667 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001165271237 832209956 /nfs/dbraw/zinc/20/99/56/832209956.db2.gz KZIGUAMTRNJCPK-CQSZACIVSA-N 2 1 331.420 -0.401 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001165545265 832226012 /nfs/dbraw/zinc/22/60/12/832226012.db2.gz JHPIKQJDLRZQDT-HNNXBMFYSA-N 2 1 345.447 -0.400 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001165545265 832226016 /nfs/dbraw/zinc/22/60/16/832226016.db2.gz JHPIKQJDLRZQDT-HNNXBMFYSA-N 2 1 345.447 -0.400 20 30 EBEDMP N#CCNC(=O)C[NH2+]CCCNC(=O)CCCC[NH+]1CCOCC1 ZINC001168390439 832418400 /nfs/dbraw/zinc/41/84/00/832418400.db2.gz DWIQUAXOLPOWGX-UHFFFAOYSA-N 2 1 339.440 -0.775 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171219172 832552211 /nfs/dbraw/zinc/55/22/11/832552211.db2.gz UXPQMUFEHVNAJA-CYBMUJFWSA-N 2 1 339.440 -0.564 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176096540 832657553 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IRGXOLGJWWBJLV-KKUMJFAQSA-N 2 1 335.452 -0.111 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192143076 834617035 /nfs/dbraw/zinc/61/70/35/834617035.db2.gz KYUDXHPUHQUFCP-GOEBONIOSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001193695085 834927898 /nfs/dbraw/zinc/92/78/98/834927898.db2.gz GAFBTTUJYKDYRU-KBPBESRZSA-N 2 1 331.420 -0.069 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)[C@@H](C)C(=O)NC)C2)CC1 ZINC001194246332 835058697 /nfs/dbraw/zinc/05/86/97/835058697.db2.gz LEKYBISKQNUYNE-GOEBONIOSA-N 2 1 334.464 -0.001 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001199943805 835882342 /nfs/dbraw/zinc/88/23/42/835882342.db2.gz QVUFPIYZIDLZQR-UKRRQHHQSA-N 2 1 338.452 -0.412 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943805 835882346 /nfs/dbraw/zinc/88/23/46/835882346.db2.gz QVUFPIYZIDLZQR-UKRRQHHQSA-N 2 1 338.452 -0.412 20 30 EBEDMP C=CCOCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200182554 835926467 /nfs/dbraw/zinc/92/64/67/835926467.db2.gz QECHSDVCFDOZDD-JKSUJKDBSA-N 2 1 341.452 -0.273 20 30 EBEDMP C=CCOCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200182554 835926472 /nfs/dbraw/zinc/92/64/72/835926472.db2.gz QECHSDVCFDOZDD-JKSUJKDBSA-N 2 1 341.452 -0.273 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CCCO1 ZINC001201800260 836193628 /nfs/dbraw/zinc/19/36/28/836193628.db2.gz IEHFYAVCLIKTQP-HNNXBMFYSA-N 2 1 340.468 -0.163 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCCO1 ZINC001202162876 836264118 /nfs/dbraw/zinc/26/41/18/836264118.db2.gz BAQNXYOOVBZONW-HNNXBMFYSA-N 2 1 340.468 -0.164 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203728709 836469497 /nfs/dbraw/zinc/46/94/97/836469497.db2.gz BASCSCJWEAXATG-KBPBESRZSA-N 2 1 344.419 -0.152 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 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/nfs/dbraw/zinc/14/93/14/731149314.db2.gz MPPCSOOWECWAFG-VGWMRTNUSA-N 2 1 332.448 -0.011 20 30 EBEDMP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001046013743 733801947 /nfs/dbraw/zinc/80/19/47/733801947.db2.gz IVLLXDWYGBFXPG-IRXDYDNUSA-N 2 1 334.464 -0.441 20 30 EBEDMP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001046013743 733801950 /nfs/dbraw/zinc/80/19/50/733801950.db2.gz IVLLXDWYGBFXPG-IRXDYDNUSA-N 2 1 334.464 -0.441 20 30 EBEDMP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046013743 733801953 /nfs/dbraw/zinc/80/19/53/733801953.db2.gz IVLLXDWYGBFXPG-IRXDYDNUSA-N 2 1 334.464 -0.441 20 30 EBEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046013743 733801954 /nfs/dbraw/zinc/80/19/54/733801954.db2.gz IVLLXDWYGBFXPG-IRXDYDNUSA-N 2 1 334.464 -0.441 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(=O)NC)C[C@@H]2C1 ZINC001048870269 734547423 /nfs/dbraw/zinc/54/74/23/734547423.db2.gz VPAJXCMOBZLLPB-WCVJEAGWSA-N 2 1 332.448 -0.391 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@@H]2C1 ZINC001048870269 734547428 /nfs/dbraw/zinc/54/74/28/734547428.db2.gz VPAJXCMOBZLLPB-WCVJEAGWSA-N 2 1 332.448 -0.391 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@H](C)C(=O)NC)C[C@@H]2C1 ZINC001048870269 734547434 /nfs/dbraw/zinc/54/74/34/734547434.db2.gz VPAJXCMOBZLLPB-WCVJEAGWSA-N 2 1 332.448 -0.391 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@H](C)C(=O)NC)C[C@@H]2C1 ZINC001048870269 734547437 /nfs/dbraw/zinc/54/74/37/734547437.db2.gz VPAJXCMOBZLLPB-WCVJEAGWSA-N 2 1 332.448 -0.391 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)NC)C[C@@H]2C1 ZINC001048870268 734547604 /nfs/dbraw/zinc/54/76/04/734547604.db2.gz VPAJXCMOBZLLPB-JONQDZQNSA-N 2 1 332.448 -0.391 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@@H]2C1 ZINC001048870268 734547605 /nfs/dbraw/zinc/54/76/05/734547605.db2.gz VPAJXCMOBZLLPB-JONQDZQNSA-N 2 1 332.448 -0.391 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@@H](C)C(=O)NC)C[C@@H]2C1 ZINC001048870268 734547608 /nfs/dbraw/zinc/54/76/08/734547608.db2.gz VPAJXCMOBZLLPB-JONQDZQNSA-N 2 1 332.448 -0.391 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@@H](C)C(=O)NC)C[C@@H]2C1 ZINC001048870268 734547611 /nfs/dbraw/zinc/54/76/11/734547611.db2.gz VPAJXCMOBZLLPB-JONQDZQNSA-N 2 1 332.448 -0.391 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(N)=O)CC1 ZINC001049913571 734807003 /nfs/dbraw/zinc/80/70/03/734807003.db2.gz CTNXNFXQLJQGRR-CVEARBPZSA-N 2 1 332.448 -0.118 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(N)=O)CC1 ZINC001049913571 734807006 /nfs/dbraw/zinc/80/70/06/734807006.db2.gz CTNXNFXQLJQGRR-CVEARBPZSA-N 2 1 332.448 -0.118 20 30 EBEDMP C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001055632698 736416735 /nfs/dbraw/zinc/41/67/35/736416735.db2.gz ZASLVPDVPPMYAI-KGLIPLIRSA-N 2 1 335.452 -0.205 20 30 EBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070566412 740865155 /nfs/dbraw/zinc/86/51/55/740865155.db2.gz ODQJEPAZVAPFHH-USXIJHARSA-N 2 1 345.447 -0.342 20 30 EBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070566412 740865160 /nfs/dbraw/zinc/86/51/60/740865160.db2.gz ODQJEPAZVAPFHH-USXIJHARSA-N 2 1 345.447 -0.342 20 30 EBEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001073816271 741749464 /nfs/dbraw/zinc/74/94/64/741749464.db2.gz YWMZHIRJFKGVAG-INIZCTEOSA-N 2 1 333.436 -0.101 20 30 EBEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001073816271 741749466 /nfs/dbraw/zinc/74/94/66/741749466.db2.gz YWMZHIRJFKGVAG-INIZCTEOSA-N 2 1 333.436 -0.101 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@]3(C)C[N@@H+](CC(N)=O)C[C@]3(C)C2)CC1 ZINC000982831227 806727393 /nfs/dbraw/zinc/72/73/93/806727393.db2.gz JLQLPEAFIDGEPB-KDURUIRLSA-N 2 1 346.475 -0.013 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@]3(C)C[N@H+](CC(N)=O)C[C@]3(C)C2)CC1 ZINC000982831227 806727396 /nfs/dbraw/zinc/72/73/96/806727396.db2.gz JLQLPEAFIDGEPB-KDURUIRLSA-N 2 1 346.475 -0.013 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H](CC)C(N)=O)C[C@H]32)CC1 ZINC000979086993 805127543 /nfs/dbraw/zinc/12/75/43/805127543.db2.gz JVIQCMQVQHDDQA-WCXIOVBPSA-N 2 1 346.475 -0.111 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)NC)C[C@H]32)CC1 ZINC000979086061 805127955 /nfs/dbraw/zinc/12/79/55/805127955.db2.gz HGMZMEGAETVOCE-PHZGNYQRSA-N 2 1 332.448 -0.628 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001214666092 810270032 /nfs/dbraw/zinc/27/00/32/810270032.db2.gz UHIKSDIZLAGBQM-QKPAOTATSA-N 2 1 334.464 -0.097 20 30 EBEDMP N#Cc1c(NC(=O)[C@@H](N)CN2CCC([NH3+])CC2)sc2c1CC[NH2+]C2 ZINC001218552557 810501590 /nfs/dbraw/zinc/50/15/90/810501590.db2.gz JESYLICGHIUVDJ-ZDUSSCGKSA-N 2 1 348.476 -0.046 20 30 EBEDMP Cc1[nH+]c(N)ccc1CNC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)C[NH2+]1 ZINC001220071430 810970641 /nfs/dbraw/zinc/97/06/41/810970641.db2.gz CVSUTQVIJAQFDF-MNOVXSKESA-N 2 1 328.394 -0.705 20 30 EBEDMP C[N@@H+]1CC[C@H](CC(=O)NCC2CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001225168177 811797079 /nfs/dbraw/zinc/79/70/79/811797079.db2.gz OUBFTYNLUNZMCJ-OAHLLOKOSA-N 2 1 335.452 -0.204 20 30 EBEDMP C[N@H+]1CC[C@H](CC(=O)NCC2CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001225168177 811797084 /nfs/dbraw/zinc/79/70/84/811797084.db2.gz OUBFTYNLUNZMCJ-OAHLLOKOSA-N 2 1 335.452 -0.204 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001225526060 811815766 /nfs/dbraw/zinc/81/57/66/811815766.db2.gz WVSGELHXHVWDCF-KFWWJZLASA-N 2 1 336.436 -0.917 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001225526060 811815773 /nfs/dbraw/zinc/81/57/73/811815773.db2.gz WVSGELHXHVWDCF-KFWWJZLASA-N 2 1 336.436 -0.917 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001263851421 813129098 /nfs/dbraw/zinc/12/90/98/813129098.db2.gz JCHLUKQIWPEBOW-ZNMIVQPWSA-N 2 1 338.452 -0.506 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001263851421 813129103 /nfs/dbraw/zinc/12/91/03/813129103.db2.gz JCHLUKQIWPEBOW-ZNMIVQPWSA-N 2 1 338.452 -0.506 20 30 EBEDMP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)n1 ZINC001264584522 813184986 /nfs/dbraw/zinc/18/49/86/813184986.db2.gz XNKDZYLBKURIFG-ZDUSSCGKSA-N 2 1 335.408 -0.205 20 30 EBEDMP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)n1 ZINC001264584522 813184989 /nfs/dbraw/zinc/18/49/89/813184989.db2.gz XNKDZYLBKURIFG-ZDUSSCGKSA-N 2 1 335.408 -0.205 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001265608712 813350028 /nfs/dbraw/zinc/35/00/28/813350028.db2.gz BQEPNFSPIHALDL-OWCLPIDISA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CC[NH+]1CCN(CCNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001266295054 813517844 /nfs/dbraw/zinc/51/78/44/813517844.db2.gz VFESFAHTYYTDCB-UHFFFAOYSA-N 2 1 332.452 -0.575 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001266901818 813696484 /nfs/dbraw/zinc/69/64/84/813696484.db2.gz AGSARVPFMYWHCB-QFXBJFAPSA-N 2 1 344.459 -0.201 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001266901818 813696486 /nfs/dbraw/zinc/69/64/86/813696486.db2.gz AGSARVPFMYWHCB-QFXBJFAPSA-N 2 1 344.459 -0.201 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001266901818 813696491 /nfs/dbraw/zinc/69/64/91/813696491.db2.gz AGSARVPFMYWHCB-QFXBJFAPSA-N 2 1 344.459 -0.201 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001266901818 813696495 /nfs/dbraw/zinc/69/64/95/813696495.db2.gz AGSARVPFMYWHCB-QFXBJFAPSA-N 2 1 344.459 -0.201 20 30 EBEDMP C#CCNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001267589278 813945413 /nfs/dbraw/zinc/94/54/13/813945413.db2.gz IMVHLFHOFBVRGY-HOTGVXAUSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267589278 813945418 /nfs/dbraw/zinc/94/54/18/813945418.db2.gz IMVHLFHOFBVRGY-HOTGVXAUSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267589278 813945422 /nfs/dbraw/zinc/94/54/22/813945422.db2.gz IMVHLFHOFBVRGY-HOTGVXAUSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC(=O)NC(=O)NC ZINC001267807345 814046713 /nfs/dbraw/zinc/04/67/13/814046713.db2.gz UUUKNLCPFLUELX-OLZOCXBDSA-N 2 1 337.424 -0.976 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC(=O)NC(=O)NC ZINC001267807345 814046718 /nfs/dbraw/zinc/04/67/18/814046718.db2.gz UUUKNLCPFLUELX-OLZOCXBDSA-N 2 1 337.424 -0.976 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001268399690 814232368 /nfs/dbraw/zinc/23/23/68/814232368.db2.gz JEYFQSTVVLFILA-UKRRQHHQSA-N 2 1 345.447 -0.012 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268658962 814340985 /nfs/dbraw/zinc/34/09/85/814340985.db2.gz IOUZGMNZBPSHRC-VXGBXAGGSA-N 2 1 325.413 -0.813 20 30 EBEDMP CN(CC(=O)N1CC2(C1)CC[N@@H+](Cc1cc(C#N)n(C)c1)C2)C(N)=[NH2+] ZINC001268996713 814467641 /nfs/dbraw/zinc/46/76/41/814467641.db2.gz OZFGWGRSZOVAON-UHFFFAOYSA-N 2 1 343.435 -0.244 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(=O)NC1CC1)C1CC1 ZINC001269079308 814518883 /nfs/dbraw/zinc/51/88/83/814518883.db2.gz IGDGGFPVPRBGLA-HOTGVXAUSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(=O)NC1CC1)C1CC1 ZINC001269079308 814518890 /nfs/dbraw/zinc/51/88/90/814518890.db2.gz IGDGGFPVPRBGLA-HOTGVXAUSA-N 2 1 332.448 -0.153 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001269378003 814669545 /nfs/dbraw/zinc/66/95/45/814669545.db2.gz MCBRSRMZOIPXQJ-OLZOCXBDSA-N 2 1 339.440 -0.423 20 30 EBEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001269442237 814694227 /nfs/dbraw/zinc/69/42/27/814694227.db2.gz CIAWEIJZVNNJEV-CQSZACIVSA-N 2 1 335.452 -0.015 20 30 EBEDMP C[N@H+]1CC[C@H](CC(=O)N[C@@](C)(C[NH2+]CC(=O)NCC#N)C2CC2)C1 ZINC001269644442 814755026 /nfs/dbraw/zinc/75/50/26/814755026.db2.gz FUZVERWYEALIMZ-DYVFJYSZSA-N 2 1 335.452 -0.158 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C(C)C ZINC001271854346 816230254 /nfs/dbraw/zinc/23/02/54/816230254.db2.gz OKYSQGJRTYBRKU-STQMWFEESA-N 2 1 337.424 -0.991 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C(C)C ZINC001271854346 816230259 /nfs/dbraw/zinc/23/02/59/816230259.db2.gz OKYSQGJRTYBRKU-STQMWFEESA-N 2 1 337.424 -0.991 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001086109749 816232481 /nfs/dbraw/zinc/23/24/81/816232481.db2.gz CGMQIWHDOQFEIO-QXSJWSMHSA-N 2 1 332.448 -0.201 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001086109749 816232487 /nfs/dbraw/zinc/23/24/87/816232487.db2.gz CGMQIWHDOQFEIO-QXSJWSMHSA-N 2 1 332.448 -0.201 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001086390409 816316628 /nfs/dbraw/zinc/31/66/28/816316628.db2.gz SGARQBKIWQZWQJ-JYJNAYRXSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001086390409 816316636 /nfs/dbraw/zinc/31/66/36/816316636.db2.gz SGARQBKIWQZWQJ-JYJNAYRXSA-N 2 1 332.448 -0.199 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC(=O)NCC#N)C1 ZINC001272222764 816358046 /nfs/dbraw/zinc/35/80/46/816358046.db2.gz AEONRORUNRWVDX-HUUCEWRRSA-N 2 1 344.419 -0.246 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC(=O)NCC#N)C1 ZINC001272222764 816358053 /nfs/dbraw/zinc/35/80/53/816358053.db2.gz AEONRORUNRWVDX-HUUCEWRRSA-N 2 1 344.419 -0.246 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001273365328 816654606 /nfs/dbraw/zinc/65/46/06/816654606.db2.gz FVVRKTVKFMOAMX-LSDHHAIUSA-N 2 1 340.468 -0.166 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001273365327 816654685 /nfs/dbraw/zinc/65/46/85/816654685.db2.gz FVVRKTVKFMOAMX-HUUCEWRRSA-N 2 1 340.468 -0.166 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001273575345 816700023 /nfs/dbraw/zinc/70/00/23/816700023.db2.gz DCQIMYRXIGQGHZ-HNNXBMFYSA-N 2 1 345.447 -0.059 20 30 EBEDMP C#CCN1C[C@@]2(CC[N@H+](CCCN3CC[NH+](C)CC3)C2)OCC1=O ZINC001273728732 816743142 /nfs/dbraw/zinc/74/31/42/816743142.db2.gz YMIGPJNIJWVQEH-SFHVURJKSA-N 2 1 334.464 -0.440 20 30 EBEDMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N)C2 ZINC001275310000 817195477 /nfs/dbraw/zinc/19/54/77/817195477.db2.gz VBQBMZUBWDYAHV-WCQYABFASA-N 2 1 332.408 -0.512 20 30 EBEDMP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CC(=O)NC)CC1 ZINC001278150783 817710246 /nfs/dbraw/zinc/71/02/46/817710246.db2.gz BGZKSSIXLIEYPG-GDBMZVCRSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CC(=O)NC)CC1 ZINC001278150783 817710253 /nfs/dbraw/zinc/71/02/53/817710253.db2.gz BGZKSSIXLIEYPG-GDBMZVCRSA-N 2 1 334.464 -0.001 20 30 EBEDMP COCC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001278154826 817711635 /nfs/dbraw/zinc/71/16/35/817711635.db2.gz ICRGKPNYEAXQOY-GJZGRUSLSA-N 2 1 334.420 -0.530 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCn2cncn2)C1 ZINC001091076284 817862834 /nfs/dbraw/zinc/86/28/34/817862834.db2.gz WGHJROPVVNOFCK-GPANFISMSA-N 2 1 330.436 -0.140 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCn2cncn2)C1 ZINC001091076284 817862845 /nfs/dbraw/zinc/86/28/45/817862845.db2.gz WGHJROPVVNOFCK-GPANFISMSA-N 2 1 330.436 -0.140 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCN2CCNC2=O)C1 ZINC001091076106 817862999 /nfs/dbraw/zinc/86/29/99/817862999.db2.gz NJLWFPODZHFSIL-GPANFISMSA-N 2 1 347.463 -0.406 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCN2CCNC2=O)C1 ZINC001091076106 817863009 /nfs/dbraw/zinc/86/30/09/817863009.db2.gz NJLWFPODZHFSIL-GPANFISMSA-N 2 1 347.463 -0.406 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NCC)C[C@@H]3C2)CC1 ZINC001279416284 817929015 /nfs/dbraw/zinc/92/90/15/817929015.db2.gz PLWRRHPNYAPLBV-CALCHBBNSA-N 2 1 346.475 -0.142 20 30 EBEDMP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)CC2=O)C1 ZINC001094806127 818494863 /nfs/dbraw/zinc/49/48/63/818494863.db2.gz IDFKIOJQEDJWKW-AWEZNQCLSA-N 2 1 330.432 -0.493 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001282858886 818504656 /nfs/dbraw/zinc/50/46/56/818504656.db2.gz NRHGVLHRFWTXEU-VQHPVUNQSA-N 2 1 344.459 -0.628 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCn2cncn2)C1 ZINC001283051748 818609894 /nfs/dbraw/zinc/60/98/94/818609894.db2.gz RXXBILVVOPBKMB-JYJNAYRXSA-N 2 1 330.436 -0.140 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCn2cncn2)C1 ZINC001283051748 818609897 /nfs/dbraw/zinc/60/98/97/818609897.db2.gz RXXBILVVOPBKMB-JYJNAYRXSA-N 2 1 330.436 -0.140 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001100511947 820451472 /nfs/dbraw/zinc/45/14/72/820451472.db2.gz YFLACEWBBROYLQ-WLYUNCDWSA-N 2 1 331.420 -0.186 20 30 EBEDMP C[NH+](C)C1(C(=O)N2C[C@H]3C[N@H+](CC(=O)NCC#N)C[C@@]3(C)C2)CCC1 ZINC001101266795 820741078 /nfs/dbraw/zinc/74/10/78/820741078.db2.gz WAHORQMZKGUTPN-PBHICJAKSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[NH+](C)C1(C(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@@]3(C)C2)CCC1 ZINC001101266795 820741082 /nfs/dbraw/zinc/74/10/82/820741082.db2.gz WAHORQMZKGUTPN-PBHICJAKSA-N 2 1 347.463 -0.109 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101460682 820797711 /nfs/dbraw/zinc/79/77/11/820797711.db2.gz RSKPOEADPIPMME-RKVPGOIHSA-N 2 1 332.448 -0.532 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460682 820797717 /nfs/dbraw/zinc/79/77/17/820797717.db2.gz RSKPOEADPIPMME-RKVPGOIHSA-N 2 1 332.448 -0.532 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460682 820797726 /nfs/dbraw/zinc/79/77/26/820797726.db2.gz RSKPOEADPIPMME-RKVPGOIHSA-N 2 1 332.448 -0.532 20 30 EBEDMP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C)[NH+](C)C ZINC001102070400 821019547 /nfs/dbraw/zinc/01/95/47/821019547.db2.gz IRGHYDUYLWIJHH-FMKPAKJESA-N 2 1 337.468 -0.104 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001103234370 821277622 /nfs/dbraw/zinc/27/76/22/821277622.db2.gz OBEWTHVGYHLMOI-UKRRQHHQSA-N 2 1 346.435 -0.095 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001103234370 821277633 /nfs/dbraw/zinc/27/76/33/821277633.db2.gz OBEWTHVGYHLMOI-UKRRQHHQSA-N 2 1 346.435 -0.095 20 30 EBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001103647137 821338370 /nfs/dbraw/zinc/33/83/70/821338370.db2.gz WCECCIDASZZJGR-HUUCEWRRSA-N 2 1 347.463 -0.204 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001316640204 821824726 /nfs/dbraw/zinc/82/47/26/821824726.db2.gz YTPOTXYSSCVMFE-MPGHIAIKSA-N 2 1 332.448 -0.294 20 30 EBEDMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001317186501 822031068 /nfs/dbraw/zinc/03/10/68/822031068.db2.gz QSZKBIFLIJUEKJ-RBSFLKMASA-N 2 1 335.452 -0.063 20 30 EBEDMP C#CCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001317294896 822071595 /nfs/dbraw/zinc/07/15/95/822071595.db2.gz APCVWKODLJJAQK-CVEARBPZSA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](C[C@H](O)COC)C2)CC1 ZINC001317534353 822148946 /nfs/dbraw/zinc/14/89/46/822148946.db2.gz BFFBKKXZRXLBPO-RDJZCZTQSA-N 2 1 337.464 -0.223 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001317898330 822230152 /nfs/dbraw/zinc/23/01/52/822230152.db2.gz AFNQSAXWVSZSEJ-IKGGRYGDSA-N 2 1 344.459 -0.198 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001317898330 822230155 /nfs/dbraw/zinc/23/01/55/822230155.db2.gz AFNQSAXWVSZSEJ-IKGGRYGDSA-N 2 1 344.459 -0.198 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1 ZINC001106266490 822239044 /nfs/dbraw/zinc/23/90/44/822239044.db2.gz MVJCDSRUEUUCLO-OAGGEKHMSA-N 2 1 334.464 -0.144 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1 ZINC001106266490 822239049 /nfs/dbraw/zinc/23/90/49/822239049.db2.gz MVJCDSRUEUUCLO-OAGGEKHMSA-N 2 1 334.464 -0.144 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129387356 828610985 /nfs/dbraw/zinc/61/09/85/828610985.db2.gz ULJPRSQJIRPEGT-ZIAGYGMSSA-N 2 1 336.440 -0.790 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129418580 828616345 /nfs/dbraw/zinc/61/63/45/828616345.db2.gz VDDUPCDZEBDBBQ-GFCCVEGCSA-N 2 1 348.407 -0.522 20 30 EBEDMP C=CCC[NH+]1CC(N2C[C@H](NC(=O)COCC[NH+](C)C)CC2=O)C1 ZINC001108584683 824395869 /nfs/dbraw/zinc/39/58/69/824395869.db2.gz LEFAZMBUTDVHCN-CQSZACIVSA-N 2 1 338.452 -0.458 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NCCC ZINC001129770913 828667242 /nfs/dbraw/zinc/66/72/42/828667242.db2.gz NLSOUUCUSWGGIO-ZDUSSCGKSA-N 2 1 337.424 -0.974 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NCCC ZINC001129770913 828667244 /nfs/dbraw/zinc/66/72/44/828667244.db2.gz NLSOUUCUSWGGIO-ZDUSSCGKSA-N 2 1 337.424 -0.974 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCc1cccnc1 ZINC001129774781 828667306 /nfs/dbraw/zinc/66/73/06/828667306.db2.gz FRRFCGURLXPCFA-INIZCTEOSA-N 2 1 343.431 -0.499 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCc1cccnc1 ZINC001129774781 828667307 /nfs/dbraw/zinc/66/73/07/828667307.db2.gz FRRFCGURLXPCFA-INIZCTEOSA-N 2 1 343.431 -0.499 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NCC ZINC001129775968 828668137 /nfs/dbraw/zinc/66/81/37/828668137.db2.gz XGSOZDPIZSEKBP-STQMWFEESA-N 2 1 337.424 -0.976 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NCC ZINC001129775968 828668144 /nfs/dbraw/zinc/66/81/44/828668144.db2.gz XGSOZDPIZSEKBP-STQMWFEESA-N 2 1 337.424 -0.976 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982466 824638415 /nfs/dbraw/zinc/63/84/15/824638415.db2.gz FEHXFKBMUPCWEN-WCVJEAGWSA-N 2 1 344.459 -0.058 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982466 824638416 /nfs/dbraw/zinc/63/84/16/824638416.db2.gz FEHXFKBMUPCWEN-WCVJEAGWSA-N 2 1 344.459 -0.058 20 30 EBEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001130132773 828737959 /nfs/dbraw/zinc/73/79/59/828737959.db2.gz ONACQNDDVNSZFH-PMPSAXMXSA-N 2 1 346.435 -0.636 20 30 EBEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001130132773 828737961 /nfs/dbraw/zinc/73/79/61/828737961.db2.gz ONACQNDDVNSZFH-PMPSAXMXSA-N 2 1 346.435 -0.636 20 30 EBEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+](C)CCC)n1 ZINC001130251359 828767185 /nfs/dbraw/zinc/76/71/85/828767185.db2.gz PPTUCTRDBJYEQT-KBPBESRZSA-N 2 1 348.451 -0.142 20 30 EBEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)CCC)[nH]1 ZINC001130251359 828767191 /nfs/dbraw/zinc/76/71/91/828767191.db2.gz PPTUCTRDBJYEQT-KBPBESRZSA-N 2 1 348.451 -0.142 20 30 EBEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)CCC)[nH]1 ZINC001130251359 828767196 /nfs/dbraw/zinc/76/71/96/828767196.db2.gz PPTUCTRDBJYEQT-KBPBESRZSA-N 2 1 348.451 -0.142 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130298151 828777033 /nfs/dbraw/zinc/77/70/33/828777033.db2.gz XDSHJEKLKHZPQC-GFCCVEGCSA-N 2 1 325.413 -0.812 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)CC[N@@H+]1C ZINC001114304059 826198530 /nfs/dbraw/zinc/19/85/30/826198530.db2.gz JKFJGKBJOBEBCQ-ZHMBSYLPSA-N 2 1 333.436 -0.597 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)CC[N@H+]1C ZINC001114304059 826198532 /nfs/dbraw/zinc/19/85/32/826198532.db2.gz JKFJGKBJOBEBCQ-ZHMBSYLPSA-N 2 1 333.436 -0.597 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)CC[NH+]1C ZINC001114304059 826198534 /nfs/dbraw/zinc/19/85/34/826198534.db2.gz JKFJGKBJOBEBCQ-ZHMBSYLPSA-N 2 1 333.436 -0.597 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)CC[NH+]1C ZINC001114304059 826198535 /nfs/dbraw/zinc/19/85/35/826198535.db2.gz JKFJGKBJOBEBCQ-ZHMBSYLPSA-N 2 1 333.436 -0.597 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001114426979 826245050 /nfs/dbraw/zinc/24/50/50/826245050.db2.gz WZUSZUHUQVHZSP-OIPACUDHSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001114426979 826245052 /nfs/dbraw/zinc/24/50/52/826245052.db2.gz WZUSZUHUQVHZSP-OIPACUDHSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001114426979 826245054 /nfs/dbraw/zinc/24/50/54/826245054.db2.gz WZUSZUHUQVHZSP-OIPACUDHSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001114426979 826245057 /nfs/dbraw/zinc/24/50/57/826245057.db2.gz WZUSZUHUQVHZSP-OIPACUDHSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001114502217 826267764 /nfs/dbraw/zinc/26/77/64/826267764.db2.gz PYUQGRAHARMWQC-HPFXQQBRSA-N 2 1 346.475 -0.097 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001114502217 826267768 /nfs/dbraw/zinc/26/77/68/826267768.db2.gz PYUQGRAHARMWQC-HPFXQQBRSA-N 2 1 346.475 -0.097 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001114502217 826267771 /nfs/dbraw/zinc/26/77/71/826267771.db2.gz PYUQGRAHARMWQC-HPFXQQBRSA-N 2 1 346.475 -0.097 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001114502217 826267774 /nfs/dbraw/zinc/26/77/74/826267774.db2.gz PYUQGRAHARMWQC-HPFXQQBRSA-N 2 1 346.475 -0.097 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001114607032 826296499 /nfs/dbraw/zinc/29/64/99/826296499.db2.gz LFKNLFHRPYLCLL-ABFRBSLYSA-N 2 1 345.447 -0.453 20 30 EBEDMP N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001114607032 826296500 /nfs/dbraw/zinc/29/65/00/826296500.db2.gz LFKNLFHRPYLCLL-ABFRBSLYSA-N 2 1 345.447 -0.453 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001180182448 833053765 /nfs/dbraw/zinc/05/37/65/833053765.db2.gz CKUATRRPEPQHJY-SOUVJXGZSA-N 2 1 338.452 -0.412 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001180182448 833053772 /nfs/dbraw/zinc/05/37/72/833053772.db2.gz CKUATRRPEPQHJY-SOUVJXGZSA-N 2 1 338.452 -0.412 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H](O)COC)C[C@H]32)CC1 ZINC001115290663 826496462 /nfs/dbraw/zinc/49/64/62/826496462.db2.gz YJUKFJUCNVOWNB-MWDXBVQZSA-N 2 1 335.448 -0.615 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001181653088 833170926 /nfs/dbraw/zinc/17/09/26/833170926.db2.gz VJMRQRJAJHDXHE-OLZOCXBDSA-N 2 1 337.424 -0.717 20 30 EBEDMP C[N@H+]1CC[C@@H](CC(=O)NC2CC3(C2)CC([NH2+]CC(=O)NCC#N)C3)C1 ZINC001122055648 827511950 /nfs/dbraw/zinc/51/19/50/827511950.db2.gz DWDKIMKWZQDIPW-RWQKBRBCSA-N 2 1 347.463 -0.015 20 30 EBEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125203176 828072662 /nfs/dbraw/zinc/07/26/62/828072662.db2.gz JUJLKRWVJQUHJY-GJZGRUSLSA-N 2 1 340.468 -0.164 20 30 EBEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125203176 828072668 /nfs/dbraw/zinc/07/26/68/828072668.db2.gz JUJLKRWVJQUHJY-GJZGRUSLSA-N 2 1 340.468 -0.164 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001133313236 829620737 /nfs/dbraw/zinc/62/07/37/829620737.db2.gz BUYNANFETQYAPS-DZGCQCFKSA-N 2 1 346.435 -0.095 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133845305 829685801 /nfs/dbraw/zinc/68/58/01/829685801.db2.gz AUGOJEQHTJIMJD-LBPRGKRZSA-N 2 1 325.413 -0.954 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001133865432 829689114 /nfs/dbraw/zinc/68/91/14/829689114.db2.gz CTESAPUVNCZVSQ-OCCSQVGLSA-N 2 1 331.420 -0.402 20 30 EBEDMP N#CCNC(=O)C[NH2+]CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135892768 830038706 /nfs/dbraw/zinc/03/87/06/830038706.db2.gz ZCRGLIUNOXQKKG-UHFFFAOYSA-N 2 1 327.348 -0.774 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001147847384 830420391 /nfs/dbraw/zinc/42/03/91/830420391.db2.gz ZMKNCTWUOJFHKQ-UHFFFAOYSA-N 2 1 344.459 -0.102 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001147847384 830420397 /nfs/dbraw/zinc/42/03/97/830420397.db2.gz ZMKNCTWUOJFHKQ-UHFFFAOYSA-N 2 1 344.459 -0.102 20 30 EBEDMP C=CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001148611784 830518303 /nfs/dbraw/zinc/51/83/03/830518303.db2.gz NPBJLXIVTBJGAP-UHFFFAOYSA-N 2 1 332.448 -0.081 20 30 EBEDMP C=CCNC(=O)C[N@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001148611784 830518308 /nfs/dbraw/zinc/51/83/08/830518308.db2.gz NPBJLXIVTBJGAP-UHFFFAOYSA-N 2 1 332.448 -0.081 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001148754994 830535537 /nfs/dbraw/zinc/53/55/37/830535537.db2.gz MGEIUIWYYFCJFU-HNNXBMFYSA-N 2 1 332.448 -0.246 20 30 EBEDMP COCC#CC[N@@H+]1CCCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001150579253 830936720 /nfs/dbraw/zinc/93/67/20/830936720.db2.gz LBCGGWJCRHNUBW-MRXNPFEDSA-N 2 1 335.448 -0.061 20 30 EBEDMP COCC#CC[N@H+]1CCCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001150579253 830936725 /nfs/dbraw/zinc/93/67/25/830936725.db2.gz LBCGGWJCRHNUBW-MRXNPFEDSA-N 2 1 335.448 -0.061 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)CC1 ZINC001152334874 831152868 /nfs/dbraw/zinc/15/28/68/831152868.db2.gz SXKQTKNZQUDUOH-UHFFFAOYSA-N 2 1 346.435 -0.641 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](O)COC ZINC001153864594 831280957 /nfs/dbraw/zinc/28/09/57/831280957.db2.gz ZQJBYZTYZQKRGQ-OAGGEKHMSA-N 2 1 325.453 -0.082 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)C[C@@H](O)COC ZINC001153864594 831280963 /nfs/dbraw/zinc/28/09/63/831280963.db2.gz ZQJBYZTYZQKRGQ-OAGGEKHMSA-N 2 1 325.453 -0.082 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C[C@@H](O)COC ZINC001153864594 831280968 /nfs/dbraw/zinc/28/09/68/831280968.db2.gz ZQJBYZTYZQKRGQ-OAGGEKHMSA-N 2 1 325.453 -0.082 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C[C@@H](O)COC ZINC001153864594 831280975 /nfs/dbraw/zinc/28/09/75/831280975.db2.gz ZQJBYZTYZQKRGQ-OAGGEKHMSA-N 2 1 325.453 -0.082 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC(F)(F)F ZINC001160191898 831823767 /nfs/dbraw/zinc/82/37/67/831823767.db2.gz RXBFSMUJGIRFOB-LBPRGKRZSA-N 2 1 348.369 -0.142 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC(F)(F)F ZINC001160191898 831823772 /nfs/dbraw/zinc/82/37/72/831823772.db2.gz RXBFSMUJGIRFOB-LBPRGKRZSA-N 2 1 348.369 -0.142 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001160209513 831824383 /nfs/dbraw/zinc/82/43/83/831824383.db2.gz NSKQZKOXGNWVKK-GJZGRUSLSA-N 2 1 341.477 -0.385 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001160209513 831824388 /nfs/dbraw/zinc/82/43/88/831824388.db2.gz NSKQZKOXGNWVKK-GJZGRUSLSA-N 2 1 341.477 -0.385 20 30 EBEDMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001167225401 832318798 /nfs/dbraw/zinc/31/87/98/832318798.db2.gz UIFYVVALMOMHHN-CQSZACIVSA-N 2 1 335.452 -0.013 20 30 EBEDMP N#CCNC(=O)C[NH2+]CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001169463816 832464254 /nfs/dbraw/zinc/46/42/54/832464254.db2.gz KEMFBKAKRRSXJN-UHFFFAOYSA-N 2 1 341.375 -0.383 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NCC#N ZINC001171308209 832555914 /nfs/dbraw/zinc/55/59/14/832555914.db2.gz PGDZHGBWCGIDRW-CVEARBPZSA-N 2 1 347.463 -0.012 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NCC#N ZINC001171308209 832555918 /nfs/dbraw/zinc/55/59/18/832555918.db2.gz PGDZHGBWCGIDRW-CVEARBPZSA-N 2 1 347.463 -0.012 20 30 EBEDMP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001189819875 834194744 /nfs/dbraw/zinc/19/47/44/834194744.db2.gz BVSXDFDUOSFNHZ-QLFBSQMISA-N 2 1 333.436 -0.499 20 30 EBEDMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001189819875 834194747 /nfs/dbraw/zinc/19/47/47/834194747.db2.gz BVSXDFDUOSFNHZ-QLFBSQMISA-N 2 1 333.436 -0.499 20 30 EBEDMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001189819875 834194750 /nfs/dbraw/zinc/19/47/50/834194750.db2.gz BVSXDFDUOSFNHZ-QLFBSQMISA-N 2 1 333.436 -0.499 20 30 EBEDMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001189819875 834194752 /nfs/dbraw/zinc/19/47/52/834194752.db2.gz BVSXDFDUOSFNHZ-QLFBSQMISA-N 2 1 333.436 -0.499 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001189923770 834209800 /nfs/dbraw/zinc/20/98/00/834209800.db2.gz YXXTZYIGQTWZRZ-HRCADAONSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001189923770 834209805 /nfs/dbraw/zinc/20/98/05/834209805.db2.gz YXXTZYIGQTWZRZ-HRCADAONSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001189923770 834209811 /nfs/dbraw/zinc/20/98/11/834209811.db2.gz YXXTZYIGQTWZRZ-HRCADAONSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001189923770 834209817 /nfs/dbraw/zinc/20/98/17/834209817.db2.gz YXXTZYIGQTWZRZ-HRCADAONSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192028173 834594324 /nfs/dbraw/zinc/59/43/24/834594324.db2.gz CWDFNGXISVDQHJ-LSDHHAIUSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488512 834888893 /nfs/dbraw/zinc/88/88/93/834888893.db2.gz OFIDZXJVDKFDJS-LSDHHAIUSA-N 2 1 338.452 -0.765 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](C[C@H](O)COC)CC2)CC1 ZINC001198236686 835656958 /nfs/dbraw/zinc/65/69/58/835656958.db2.gz UMTUOIUHFVLGGX-KRWDZBQOSA-N 2 1 337.464 -0.127 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCOCC)C[C@H]2O)CC1 ZINC001199030664 835752973 /nfs/dbraw/zinc/75/29/73/835752973.db2.gz WEOJVRUUZDVOPB-IAGOWNOFSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCCO1 ZINC001202165977 836266181 /nfs/dbraw/zinc/26/61/81/836266181.db2.gz SVYHBMOCLJJXKB-OAHLLOKOSA-N 2 1 338.452 -0.717 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001205479420 836570860 /nfs/dbraw/zinc/57/08/60/836570860.db2.gz LIRPANRWLVWNMW-KRWDZBQOSA-N 2 1 344.459 -0.338 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001205479420 836570863 /nfs/dbraw/zinc/57/08/63/836570863.db2.gz LIRPANRWLVWNMW-KRWDZBQOSA-N 2 1 344.459 -0.338 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCC1CCOCC1 ZINC001320233879 838718319 /nfs/dbraw/zinc/71/83/19/838718319.db2.gz JCINDLLJFBRHIL-SJORKVTESA-N 2 1 337.464 -0.033 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCC1CCOCC1 ZINC001320233879 838718329 /nfs/dbraw/zinc/71/83/29/838718329.db2.gz JCINDLLJFBRHIL-SJORKVTESA-N 2 1 337.464 -0.033 20 30 EBEDMP C=CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001325125711 839792520 /nfs/dbraw/zinc/79/25/20/839792520.db2.gz HURRKRILHKKNAS-NVXWUHKLSA-N 2 1 340.468 -0.572 20 30 EBEDMP C=CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001325125711 839792523 /nfs/dbraw/zinc/79/25/23/839792523.db2.gz HURRKRILHKKNAS-NVXWUHKLSA-N 2 1 340.468 -0.572 20 30 EBEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001327050111 840287070 /nfs/dbraw/zinc/28/70/70/840287070.db2.gz RYFXJRQVZUNIPZ-MRXNPFEDSA-N 2 1 339.436 -0.825 20 30 EBEDMP C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001327968980 840559960 /nfs/dbraw/zinc/55/99/60/840559960.db2.gz FJYZWGBUJQYIKB-AWEZNQCLSA-N 2 1 338.452 -0.410 20 30 EBEDMP C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001327968980 840559971 /nfs/dbraw/zinc/55/99/71/840559971.db2.gz FJYZWGBUJQYIKB-AWEZNQCLSA-N 2 1 338.452 -0.410 20 30 EBEDMP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[N@H+](C)CC(=O)NCC#N)CC1 ZINC001328764251 840743942 /nfs/dbraw/zinc/74/39/42/840743942.db2.gz JNBSQPKYCWVIFO-AWEZNQCLSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[N@@H+](C)CC(=O)NCC#N)CC1 ZINC001328764251 840743950 /nfs/dbraw/zinc/74/39/50/840743950.db2.gz JNBSQPKYCWVIFO-AWEZNQCLSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCCN(CC(=O)NCC#N)C3)C1 ZINC001330511751 841224808 /nfs/dbraw/zinc/22/48/08/841224808.db2.gz GGEROAFPQNHKNS-CQSZACIVSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCC[NH+](CC(=O)NCC#N)C3)C1 ZINC001330511751 841224815 /nfs/dbraw/zinc/22/48/15/841224815.db2.gz GGEROAFPQNHKNS-CQSZACIVSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCC[NH+](CC(=O)NCC#N)C3)C1 ZINC001330511751 841224819 /nfs/dbraw/zinc/22/48/19/841224819.db2.gz GGEROAFPQNHKNS-CQSZACIVSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)N2CC3(C2)CCC[N@H+](CC(=O)NCC#N)C3)C1 ZINC001330511751 841224827 /nfs/dbraw/zinc/22/48/27/841224827.db2.gz GGEROAFPQNHKNS-CQSZACIVSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)N2CC3(C2)CCC[N@@H+](CC(=O)NCC#N)C3)C1 ZINC001330511751 841224832 /nfs/dbraw/zinc/22/48/32/841224832.db2.gz GGEROAFPQNHKNS-CQSZACIVSA-N 2 1 333.436 -0.498 20 30 EBEDMP C#CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)n1 ZINC001691424149 1125860016 /nfs/dbraw/zinc/86/00/16/1125860016.db2.gz CIJWDJNRAKTVRJ-AWEZNQCLSA-N 2 1 347.419 -0.368 20 30 EBEDMP C#CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)n1 ZINC001691424149 1125860018 /nfs/dbraw/zinc/86/00/18/1125860018.db2.gz CIJWDJNRAKTVRJ-AWEZNQCLSA-N 2 1 347.419 -0.368 20 30 EBEDMP Cc1[nH+]cc2n1C[C@@H](C(=O)N(C)CC[NH2+]CC(=O)NCC#N)CC2 ZINC001691450907 1125880960 /nfs/dbraw/zinc/88/09/60/1125880960.db2.gz JVDQCUMYDUWWTI-ZDUSSCGKSA-N 2 1 332.408 -0.558 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1(NC(=O)Cn2c[nH+]cc2C)CCCC1 ZINC001481901477 1126065919 /nfs/dbraw/zinc/06/59/19/1126065919.db2.gz RCMSVXWEUAQDCW-UHFFFAOYSA-N 2 1 331.420 -0.040 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCn1cncn1)C1CC1 ZINC001483567648 1126435325 /nfs/dbraw/zinc/43/53/25/1126435325.db2.gz QFOCMWJLECPPGS-CVEARBPZSA-N 2 1 330.436 -0.140 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCn1cncn1)C1CC1 ZINC001483567648 1126435327 /nfs/dbraw/zinc/43/53/27/1126435327.db2.gz QFOCMWJLECPPGS-CVEARBPZSA-N 2 1 330.436 -0.140 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC#C)C1CC1 ZINC001483566743 1126435491 /nfs/dbraw/zinc/43/54/91/1126435491.db2.gz DCMNKJPLEFVFAJ-CVEARBPZSA-N 2 1 330.432 -0.682 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC#C)C1CC1 ZINC001483566743 1126435492 /nfs/dbraw/zinc/43/54/92/1126435492.db2.gz DCMNKJPLEFVFAJ-CVEARBPZSA-N 2 1 330.432 -0.682 20 30 EBEDMP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CC(=O)NCC#N)C3)C1 ZINC001483832368 1126480669 /nfs/dbraw/zinc/48/06/69/1126480669.db2.gz HSIUGRGQYZVFLB-CRAIPNDOSA-N 2 1 347.463 -0.108 20 30 EBEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CC(=O)NCC#N)C3)C1 ZINC001483832368 1126480670 /nfs/dbraw/zinc/48/06/70/1126480670.db2.gz HSIUGRGQYZVFLB-CRAIPNDOSA-N 2 1 347.463 -0.108 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@]3(C2)CCC[N@H+](CC(=O)NCC#N)C3)C1 ZINC001483832368 1126480671 /nfs/dbraw/zinc/48/06/71/1126480671.db2.gz HSIUGRGQYZVFLB-CRAIPNDOSA-N 2 1 347.463 -0.108 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC(=O)NCC#N)C3)C1 ZINC001483832368 1126480672 /nfs/dbraw/zinc/48/06/72/1126480672.db2.gz HSIUGRGQYZVFLB-CRAIPNDOSA-N 2 1 347.463 -0.108 20 30 EBEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(CCN(CC(=O)NCC#N)C2)C1 ZINC001483845128 1126481605 /nfs/dbraw/zinc/48/16/05/1126481605.db2.gz GXUPVWLQUZRBAL-PBHICJAKSA-N 2 1 333.436 -0.355 20 30 EBEDMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001483845128 1126481606 /nfs/dbraw/zinc/48/16/06/1126481606.db2.gz GXUPVWLQUZRBAL-PBHICJAKSA-N 2 1 333.436 -0.355 20 30 EBEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001483845128 1126481607 /nfs/dbraw/zinc/48/16/07/1126481607.db2.gz GXUPVWLQUZRBAL-PBHICJAKSA-N 2 1 333.436 -0.355 20 30 EBEDMP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001483845128 1126481610 /nfs/dbraw/zinc/48/16/10/1126481610.db2.gz GXUPVWLQUZRBAL-PBHICJAKSA-N 2 1 333.436 -0.355 20 30 EBEDMP CCC1([NH2+]CC(=O)NCC#N)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001484819299 1126638134 /nfs/dbraw/zinc/63/81/34/1126638134.db2.gz LMWFQEXDUJJEFO-AWEZNQCLSA-N 2 1 335.452 -0.061 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001485648812 1126776767 /nfs/dbraw/zinc/77/67/67/1126776767.db2.gz CESZEXBCQBPDFO-CABCVRRESA-N 2 1 338.452 -0.719 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CCOCCO)CC1 ZINC001486510804 1127195175 /nfs/dbraw/zinc/19/51/75/1127195175.db2.gz SIRKRZUSWPJPAJ-KRWDZBQOSA-N 2 1 335.448 -0.159 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CCOCCO)CC1 ZINC001486510804 1127195178 /nfs/dbraw/zinc/19/51/78/1127195178.db2.gz SIRKRZUSWPJPAJ-KRWDZBQOSA-N 2 1 335.448 -0.159 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCOCCO)CC1 ZINC001486510804 1127195181 /nfs/dbraw/zinc/19/51/81/1127195181.db2.gz SIRKRZUSWPJPAJ-KRWDZBQOSA-N 2 1 335.448 -0.159 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCOCCO)CC1 ZINC001486510804 1127195184 /nfs/dbraw/zinc/19/51/84/1127195184.db2.gz SIRKRZUSWPJPAJ-KRWDZBQOSA-N 2 1 335.448 -0.159 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]2C)CC1 ZINC001093224400 1128308778 /nfs/dbraw/zinc/30/87/78/1128308778.db2.gz USGCAZNSQDADGG-IJEWVQPXSA-N 2 1 334.464 -0.111 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001488744562 1128845236 /nfs/dbraw/zinc/84/52/36/1128845236.db2.gz WHBPWEPVJYRBCE-NCOADZHNSA-N 2 1 344.459 -0.294 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001488744562 1128845239 /nfs/dbraw/zinc/84/52/39/1128845239.db2.gz WHBPWEPVJYRBCE-NCOADZHNSA-N 2 1 344.459 -0.294 20 30 EBEDMP COC[C@]1(CO)CC[NH+](CC#CC[N@H+]2CC[C@](CO)(COC)C2)C1 ZINC000625461844 376231351 /nfs/dbraw/zinc/23/13/51/376231351.db2.gz OBDSUBNTQDHTOX-HDICACEKSA-N 2 1 340.464 -0.349 20 30 EBEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000491513310 379602399 /nfs/dbraw/zinc/60/23/99/379602399.db2.gz BLYBGUQZAROWQW-INIZCTEOSA-N 2 1 349.479 -0.205 20 30 EBEDMP OCCO[C@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](OCCO)C2)C1 ZINC000341871577 380740257 /nfs/dbraw/zinc/74/02/57/380740257.db2.gz DKYQCHMNDXHHQV-ROUUACIJSA-N 2 1 340.464 -0.064 20 30 EBEDMP OCCO[C@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](OCCO)C2)C1 ZINC000341871577 380740264 /nfs/dbraw/zinc/74/02/64/380740264.db2.gz DKYQCHMNDXHHQV-ROUUACIJSA-N 2 1 340.464 -0.064 20 30 EBEDMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000330823844 380841245 /nfs/dbraw/zinc/84/12/45/380841245.db2.gz GTBHZWGCCOHTOM-CQSZACIVSA-N 2 1 341.456 -0.627 20 30 EBEDMP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000346985941 381154394 /nfs/dbraw/zinc/15/43/94/381154394.db2.gz CQFQCFUZUFNSBX-UHFFFAOYSA-N 2 1 335.452 -0.061 20 30 EBEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000329631481 381614840 /nfs/dbraw/zinc/61/48/40/381614840.db2.gz VXMKBGPVMGXZGV-JKSUJKDBSA-N 2 1 339.484 -0.057 20 30 EBEDMP C[C@H]([C@H](C)NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)N1CCOCC1 ZINC000329498665 545740972 /nfs/dbraw/zinc/74/09/72/545740972.db2.gz XWMYYLWQEXQOLR-RRFJBIMHSA-N 2 1 327.473 -0.155 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000730285256 582826858 /nfs/dbraw/zinc/82/68/58/582826858.db2.gz YILDKAISVFCKNL-INIZCTEOSA-N 2 1 332.448 -0.149 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000730285256 582826859 /nfs/dbraw/zinc/82/68/59/582826859.db2.gz YILDKAISVFCKNL-INIZCTEOSA-N 2 1 332.448 -0.149 20 30 EBEDMP C[NH+]=C(NCCN1CCN(C(C)=O)CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083096705 649971391 /nfs/dbraw/zinc/97/13/91/649971391.db2.gz URPOTJKZEBJFOY-OAHLLOKOSA-N 2 1 336.484 -0.448 20 30 EBEDMP C[NH+]=C(NCCN1CCN(C(C)=O)CC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083096705 649971393 /nfs/dbraw/zinc/97/13/93/649971393.db2.gz URPOTJKZEBJFOY-OAHLLOKOSA-N 2 1 336.484 -0.448 20 30 EBEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCC(C(=O)OC)CC1 ZINC000088702615 649971476 /nfs/dbraw/zinc/97/14/76/649971476.db2.gz SNRSUUVPDHIRPP-CQSZACIVSA-N 2 1 325.457 -0.307 20 30 EBEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N1CCN(CCC(=O)N(C)C)CC1 ZINC000261956345 649985577 /nfs/dbraw/zinc/98/55/77/649985577.db2.gz IWJISFAFFZGXDS-OAHLLOKOSA-N 2 1 338.500 -0.391 20 30 EBEDMP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000303876444 649992812 /nfs/dbraw/zinc/99/28/12/649992812.db2.gz FATJPVGBZMLLRJ-MRXNPFEDSA-N 3 1 340.516 -0.361 20 30 EBEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000303984503 649992993 /nfs/dbraw/zinc/99/29/93/649992993.db2.gz SBJXDVSNHPPZQI-HNNXBMFYSA-N 2 1 327.473 -0.406 20 30 EBEDMP C#CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000919517384 650302338 /nfs/dbraw/zinc/30/23/38/650302338.db2.gz QDSJUZABEANHLL-HNNXBMFYSA-N 2 1 349.479 -0.029 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000937756568 651906053 /nfs/dbraw/zinc/90/60/53/651906053.db2.gz QLDUAZPTJHEJAU-JYJNAYRXSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000937756568 651906058 /nfs/dbraw/zinc/90/60/58/651906058.db2.gz QLDUAZPTJHEJAU-JYJNAYRXSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000937756568 651906064 /nfs/dbraw/zinc/90/60/64/651906064.db2.gz QLDUAZPTJHEJAU-JYJNAYRXSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000937756568 651906072 /nfs/dbraw/zinc/90/60/72/651906072.db2.gz QLDUAZPTJHEJAU-JYJNAYRXSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000951483326 654157301 /nfs/dbraw/zinc/15/73/01/654157301.db2.gz LEYCQVIHFGSXGB-XHSDSOJGSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000951483326 654157303 /nfs/dbraw/zinc/15/73/03/654157303.db2.gz LEYCQVIHFGSXGB-XHSDSOJGSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000951483326 654157305 /nfs/dbraw/zinc/15/73/05/654157305.db2.gz LEYCQVIHFGSXGB-XHSDSOJGSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000951483326 654157308 /nfs/dbraw/zinc/15/73/08/654157308.db2.gz LEYCQVIHFGSXGB-XHSDSOJGSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ncnn2C)C1 ZINC000961938076 723125698 /nfs/dbraw/zinc/12/56/98/723125698.db2.gz JQOUZZYRZGQMJA-NRXISQOPSA-N 2 1 330.436 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ncnn2C)C1 ZINC000961938076 723125703 /nfs/dbraw/zinc/12/57/03/723125703.db2.gz JQOUZZYRZGQMJA-NRXISQOPSA-N 2 1 330.436 -0.103 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)CC1 ZINC000962769200 723321053 /nfs/dbraw/zinc/32/10/53/723321053.db2.gz DRUWGLMSWRSNLC-VQFNDLOPSA-N 2 1 344.459 -0.390 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC000993860088 725954841 /nfs/dbraw/zinc/95/48/41/725954841.db2.gz NGELNHKSCKFEEK-UHFFFAOYSA-N 2 1 343.431 -0.136 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001002836828 726650017 /nfs/dbraw/zinc/65/00/17/726650017.db2.gz VNVZNYLGQVFWNK-IRXDYDNUSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001002836828 726650018 /nfs/dbraw/zinc/65/00/18/726650018.db2.gz VNVZNYLGQVFWNK-IRXDYDNUSA-N 2 1 346.475 -0.001 20 30 EBEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001026145744 730125354 /nfs/dbraw/zinc/12/53/54/730125354.db2.gz CIDWOHBXMYRKTE-ARKGTOAJSA-N 2 1 332.448 -0.229 20 30 EBEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001026145744 730125355 /nfs/dbraw/zinc/12/53/55/730125355.db2.gz CIDWOHBXMYRKTE-ARKGTOAJSA-N 2 1 332.448 -0.229 20 30 EBEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001026145744 730125356 /nfs/dbraw/zinc/12/53/56/730125356.db2.gz CIDWOHBXMYRKTE-ARKGTOAJSA-N 2 1 332.448 -0.229 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ncnn2C)C1 ZINC001026893873 730168547 /nfs/dbraw/zinc/16/85/47/730168547.db2.gz PKNLGIPSIKTWNT-GJZGRUSLSA-N 2 1 330.436 -0.149 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ncnn2C)C1 ZINC001026893873 730168548 /nfs/dbraw/zinc/16/85/48/730168548.db2.gz PKNLGIPSIKTWNT-GJZGRUSLSA-N 2 1 330.436 -0.149 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001029003577 730382975 /nfs/dbraw/zinc/38/29/75/730382975.db2.gz NXXLHVWSNXLZQA-GDBMZVCRSA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC2C[NH+]([C@@H](C)C(=O)N(C)C)C2)CC1 ZINC001032207310 730830179 /nfs/dbraw/zinc/83/01/79/730830179.db2.gz MCLRZFVNVOBSFW-AWEZNQCLSA-N 2 1 334.464 -0.144 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC2C[NH+]([C@H](C)C(=O)N(C)C)C2)CC1 ZINC001032207311 730830208 /nfs/dbraw/zinc/83/02/08/730830208.db2.gz MCLRZFVNVOBSFW-CQSZACIVSA-N 2 1 334.464 -0.144 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCNC2=O)CC1 ZINC001034663848 731149135 /nfs/dbraw/zinc/14/91/35/731149135.db2.gz MPPCSOOWECWAFG-FPCVCCKLSA-N 2 1 332.448 -0.011 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCNC2=O)CC1 ZINC001034663848 731149137 /nfs/dbraw/zinc/14/91/37/731149137.db2.gz MPPCSOOWECWAFG-FPCVCCKLSA-N 2 1 332.448 -0.011 20 30 EBEDMP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046037948 733822435 /nfs/dbraw/zinc/82/24/35/733822435.db2.gz CPKBIGFQOKGSSR-FGTMMUONSA-N 2 1 348.491 -0.053 20 30 EBEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046037948 733822437 /nfs/dbraw/zinc/82/24/37/733822437.db2.gz CPKBIGFQOKGSSR-FGTMMUONSA-N 2 1 348.491 -0.053 20 30 EBEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046037948 733822439 /nfs/dbraw/zinc/82/24/39/733822439.db2.gz CPKBIGFQOKGSSR-FGTMMUONSA-N 2 1 348.491 -0.053 20 30 EBEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046037948 733822440 /nfs/dbraw/zinc/82/24/40/733822440.db2.gz CPKBIGFQOKGSSR-FGTMMUONSA-N 2 1 348.491 -0.053 20 30 EBEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC001046084639 733857569 /nfs/dbraw/zinc/85/75/69/733857569.db2.gz AONRZLYQIHKXGX-ZWKOTPCHSA-N 2 1 348.491 -0.051 20 30 EBEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC001046084639 733857571 /nfs/dbraw/zinc/85/75/71/733857571.db2.gz AONRZLYQIHKXGX-ZWKOTPCHSA-N 2 1 348.491 -0.051 20 30 EBEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC2)C1 ZINC001046084639 733857574 /nfs/dbraw/zinc/85/75/74/733857574.db2.gz AONRZLYQIHKXGX-ZWKOTPCHSA-N 2 1 348.491 -0.051 20 30 EBEDMP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC2)C1 ZINC001046084639 733857578 /nfs/dbraw/zinc/85/75/78/733857578.db2.gz AONRZLYQIHKXGX-ZWKOTPCHSA-N 2 1 348.491 -0.051 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001046849519 734040911 /nfs/dbraw/zinc/04/09/11/734040911.db2.gz GFPMTDHUJWHVFP-MAUKXSAKSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001046849519 734040912 /nfs/dbraw/zinc/04/09/12/734040912.db2.gz GFPMTDHUJWHVFP-MAUKXSAKSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001047463792 734207556 /nfs/dbraw/zinc/20/75/56/734207556.db2.gz SUEVPTJGOATHPB-BFKWJSRZSA-N 2 1 333.432 -0.624 20 30 EBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001047463792 734207561 /nfs/dbraw/zinc/20/75/61/734207561.db2.gz SUEVPTJGOATHPB-BFKWJSRZSA-N 2 1 333.432 -0.624 20 30 EBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001047463792 734207564 /nfs/dbraw/zinc/20/75/64/734207564.db2.gz SUEVPTJGOATHPB-BFKWJSRZSA-N 2 1 333.432 -0.624 20 30 EBEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001047561403 734253997 /nfs/dbraw/zinc/25/39/97/734253997.db2.gz ILUBZRTWPWMXMD-HOTGVXAUSA-N 2 1 333.436 -0.415 20 30 EBEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001047561403 734253999 /nfs/dbraw/zinc/25/39/99/734253999.db2.gz ILUBZRTWPWMXMD-HOTGVXAUSA-N 2 1 333.436 -0.415 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+]([C@H](C)COC)C[C@@H]2O)CC1 ZINC001047638105 734294598 /nfs/dbraw/zinc/29/45/98/734294598.db2.gz BTCDKDUTXDOJDW-PVAVHDDUSA-N 2 1 337.464 -0.130 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001048533247 734436916 /nfs/dbraw/zinc/43/69/16/734436916.db2.gz WFXBHXQPYFJDBP-FZKCQIBNSA-N 2 1 332.448 -0.072 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001048533247 734436919 /nfs/dbraw/zinc/43/69/19/734436919.db2.gz WFXBHXQPYFJDBP-FZKCQIBNSA-N 2 1 332.448 -0.072 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC(N)=O ZINC001048533247 734436921 /nfs/dbraw/zinc/43/69/21/734436921.db2.gz WFXBHXQPYFJDBP-FZKCQIBNSA-N 2 1 332.448 -0.072 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC(N)=O ZINC001048533247 734436924 /nfs/dbraw/zinc/43/69/24/734436924.db2.gz WFXBHXQPYFJDBP-FZKCQIBNSA-N 2 1 332.448 -0.072 20 30 EBEDMP CC#CCN1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](n2ccnn2)C1 ZINC001069980127 740644929 /nfs/dbraw/zinc/64/49/29/740644929.db2.gz CUKUWBIJLVOGKA-CABCVRRESA-N 2 1 327.392 -0.152 20 30 EBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@@H]1n1ccnn1 ZINC001070261008 740771425 /nfs/dbraw/zinc/77/14/25/740771425.db2.gz YOLDMIYTZXNWQA-OWCLPIDISA-N 2 1 346.435 -0.638 20 30 EBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@@H]1n1ccnn1 ZINC001070261008 740771427 /nfs/dbraw/zinc/77/14/27/740771427.db2.gz YOLDMIYTZXNWQA-OWCLPIDISA-N 2 1 346.435 -0.638 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CCO)C1 ZINC001070412773 740816519 /nfs/dbraw/zinc/81/65/19/740816519.db2.gz KACLKZMYMGPHIJ-HOCLYGCPSA-N 2 1 345.447 -0.095 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[N@H+](CCO)C1 ZINC001070412773 740816523 /nfs/dbraw/zinc/81/65/23/740816523.db2.gz KACLKZMYMGPHIJ-HOCLYGCPSA-N 2 1 345.447 -0.095 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[NH+](CCO)C1 ZINC001070412773 740816528 /nfs/dbraw/zinc/81/65/28/740816528.db2.gz KACLKZMYMGPHIJ-HOCLYGCPSA-N 2 1 345.447 -0.095 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[NH+](CCO)C1 ZINC001070412773 740816535 /nfs/dbraw/zinc/81/65/35/740816535.db2.gz KACLKZMYMGPHIJ-HOCLYGCPSA-N 2 1 345.447 -0.095 20 30 EBEDMP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001070999812 741027083 /nfs/dbraw/zinc/02/70/83/741027083.db2.gz BMSSAKAEDVDCHQ-HOTGVXAUSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001070999812 741027085 /nfs/dbraw/zinc/02/70/85/741027085.db2.gz BMSSAKAEDVDCHQ-HOTGVXAUSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001070999812 741027088 /nfs/dbraw/zinc/02/70/88/741027088.db2.gz BMSSAKAEDVDCHQ-HOTGVXAUSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001070999812 741027092 /nfs/dbraw/zinc/02/70/92/741027092.db2.gz BMSSAKAEDVDCHQ-HOTGVXAUSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001070999811 741027158 /nfs/dbraw/zinc/02/71/58/741027158.db2.gz BMSSAKAEDVDCHQ-CVEARBPZSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001070999811 741027160 /nfs/dbraw/zinc/02/71/60/741027160.db2.gz BMSSAKAEDVDCHQ-CVEARBPZSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001070999811 741027162 /nfs/dbraw/zinc/02/71/62/741027162.db2.gz BMSSAKAEDVDCHQ-CVEARBPZSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001070999811 741027165 /nfs/dbraw/zinc/02/71/65/741027165.db2.gz BMSSAKAEDVDCHQ-CVEARBPZSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001071046946 741049325 /nfs/dbraw/zinc/04/93/25/741049325.db2.gz UEBYMUAVSXNJKG-IKGGRYGDSA-N 2 1 335.448 -0.064 20 30 EBEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001071046946 741049326 /nfs/dbraw/zinc/04/93/26/741049326.db2.gz UEBYMUAVSXNJKG-IKGGRYGDSA-N 2 1 335.448 -0.064 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)CC1 ZINC001076604753 742509510 /nfs/dbraw/zinc/50/95/10/742509510.db2.gz UMTAAORBYLSSKZ-DLBZAZTESA-N 2 1 346.475 -0.048 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]32)CC1 ZINC001076604753 742509511 /nfs/dbraw/zinc/50/95/11/742509511.db2.gz UMTAAORBYLSSKZ-DLBZAZTESA-N 2 1 346.475 -0.048 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)[C@@H]2C)CC1 ZINC000987577382 807961576 /nfs/dbraw/zinc/96/15/76/807961576.db2.gz UJLPCQHHGACQEN-ZFWWWQNUSA-N 2 1 345.451 -0.366 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC000990514648 808820260 /nfs/dbraw/zinc/82/02/60/808820260.db2.gz QZQVRQQQLPHMOD-INIZCTEOSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001001998173 809683387 /nfs/dbraw/zinc/68/33/87/809683387.db2.gz DEJUSGFYJIOFQJ-HOTGVXAUSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001001998173 809683393 /nfs/dbraw/zinc/68/33/93/809683393.db2.gz DEJUSGFYJIOFQJ-HOTGVXAUSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001001998173 809683397 /nfs/dbraw/zinc/68/33/97/809683397.db2.gz DEJUSGFYJIOFQJ-HOTGVXAUSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001001998173 809683400 /nfs/dbraw/zinc/68/34/00/809683400.db2.gz DEJUSGFYJIOFQJ-HOTGVXAUSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC=C)C1 ZINC001214880496 810287263 /nfs/dbraw/zinc/28/72/63/810287263.db2.gz MDFZBXHUSVNBQJ-OAGGEKHMSA-N 2 1 332.448 -0.177 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC=C)C1 ZINC001214880496 810287266 /nfs/dbraw/zinc/28/72/66/810287266.db2.gz MDFZBXHUSVNBQJ-OAGGEKHMSA-N 2 1 332.448 -0.177 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001214880816 810287329 /nfs/dbraw/zinc/28/73/29/810287329.db2.gz WEMRGXFHLBNVHE-BMFZPTHFSA-N 2 1 332.448 -0.201 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001214880816 810287335 /nfs/dbraw/zinc/28/73/35/810287335.db2.gz WEMRGXFHLBNVHE-BMFZPTHFSA-N 2 1 332.448 -0.201 20 30 EBEDMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001215551622 810335861 /nfs/dbraw/zinc/33/58/61/810335861.db2.gz UZSVFTYGQJXDAU-ZIAGYGMSSA-N 2 1 335.452 -0.205 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001216801390 810392364 /nfs/dbraw/zinc/39/23/64/810392364.db2.gz MAXQXWJIKRKDLA-KFWWJZLASA-N 2 1 338.452 -0.554 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001216801390 810392370 /nfs/dbraw/zinc/39/23/70/810392370.db2.gz MAXQXWJIKRKDLA-KFWWJZLASA-N 2 1 338.452 -0.554 20 30 EBEDMP C[NH+](C)CC#CCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001221893580 811558012 /nfs/dbraw/zinc/55/80/12/811558012.db2.gz CJXNRTLDCIWEIP-INIZCTEOSA-N 2 1 337.468 -0.743 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](C[C@H](O)COC)C[C@H]32)CC1 ZINC001222044375 811585295 /nfs/dbraw/zinc/58/52/95/811585295.db2.gz ZRKNVOHTLJMIRR-FGTMMUONSA-N 2 1 349.475 -0.128 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001223240473 811691627 /nfs/dbraw/zinc/69/16/27/811691627.db2.gz YKGUAHHWYNEDOY-GDBMZVCRSA-N 2 1 334.464 -0.096 20 30 EBEDMP C[NH+](C)CC1(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NCC#N)[C@H]3C2)CC1 ZINC001223378893 811700755 /nfs/dbraw/zinc/70/07/55/811700755.db2.gz OOAFBHYWSBHVTM-CABCVRRESA-N 2 1 347.463 -0.109 20 30 EBEDMP C[NH+](C)CC1(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NCC#N)[C@H]3C2)CC1 ZINC001223378893 811700760 /nfs/dbraw/zinc/70/07/60/811700760.db2.gz OOAFBHYWSBHVTM-CABCVRRESA-N 2 1 347.463 -0.109 20 30 EBEDMP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)NCC#N)[C@H]3C2)C1 ZINC001223912074 811736025 /nfs/dbraw/zinc/73/60/25/811736025.db2.gz MVCZXULFSWKWHF-XHSDSOJGSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[NH+](CC(=O)NCC#N)[C@H]3C2)C1 ZINC001223912074 811736032 /nfs/dbraw/zinc/73/60/32/811736032.db2.gz MVCZXULFSWKWHF-XHSDSOJGSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[N@H+](CC(=O)NCC#N)[C@H]3C2)C1 ZINC001223912074 811736039 /nfs/dbraw/zinc/73/60/39/811736039.db2.gz MVCZXULFSWKWHF-XHSDSOJGSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NCC#N)[C@H]3C2)C1 ZINC001223912074 811736045 /nfs/dbraw/zinc/73/60/45/811736045.db2.gz MVCZXULFSWKWHF-XHSDSOJGSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NCC#N)[C@H]3C2)C1 ZINC001224131250 811745714 /nfs/dbraw/zinc/74/57/14/811745714.db2.gz YCZAMQZNOYCWEF-KFWWJZLASA-N 2 1 333.436 -0.499 20 30 EBEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NCC#N)[C@H]3C2)C1 ZINC001224131250 811745718 /nfs/dbraw/zinc/74/57/18/811745718.db2.gz YCZAMQZNOYCWEF-KFWWJZLASA-N 2 1 333.436 -0.499 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NCC#N)[C@H]3C2)C1 ZINC001224131250 811745724 /nfs/dbraw/zinc/74/57/24/811745724.db2.gz YCZAMQZNOYCWEF-KFWWJZLASA-N 2 1 333.436 -0.499 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NCC#N)[C@H]3C2)C1 ZINC001224131250 811745727 /nfs/dbraw/zinc/74/57/27/811745727.db2.gz YCZAMQZNOYCWEF-KFWWJZLASA-N 2 1 333.436 -0.499 20 30 EBEDMP C[NH+]1CCC(C(=O)NCC2CC[NH+](CC(=O)NCC#N)CC2)CC1 ZINC001224326038 811757161 /nfs/dbraw/zinc/75/71/61/811757161.db2.gz MKSPQLTYQZUFTC-UHFFFAOYSA-N 2 1 335.452 -0.204 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001224546126 811764555 /nfs/dbraw/zinc/76/45/55/811764555.db2.gz INZMJFYKJZYKTN-GDBMZVCRSA-N 2 1 334.464 -0.238 20 30 EBEDMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001224546641 811764793 /nfs/dbraw/zinc/76/47/93/811764793.db2.gz PEZCXUCQNKNRDH-DZGCQCFKSA-N 2 1 335.452 -0.348 20 30 EBEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001224546641 811764800 /nfs/dbraw/zinc/76/48/00/811764800.db2.gz PEZCXUCQNKNRDH-DZGCQCFKSA-N 2 1 335.452 -0.348 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001264996355 813215377 /nfs/dbraw/zinc/21/53/77/813215377.db2.gz HHAFBJIWWLNVLN-STQMWFEESA-N 2 1 337.424 -0.895 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001264996355 813215380 /nfs/dbraw/zinc/21/53/80/813215380.db2.gz HHAFBJIWWLNVLN-STQMWFEESA-N 2 1 337.424 -0.895 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@@H](C)C(=O)NC(N)=O ZINC001264996355 813215385 /nfs/dbraw/zinc/21/53/85/813215385.db2.gz HHAFBJIWWLNVLN-STQMWFEESA-N 2 1 337.424 -0.895 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@@H](C)C(=O)NC(N)=O ZINC001264996355 813215405 /nfs/dbraw/zinc/21/54/05/813215405.db2.gz HHAFBJIWWLNVLN-STQMWFEESA-N 2 1 337.424 -0.895 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001265546803 813337972 /nfs/dbraw/zinc/33/79/72/813337972.db2.gz XLSZZTKNFCKFPG-RWMBFGLXSA-N 2 1 347.419 -0.276 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCn1cncn1)C1CC1 ZINC001266412463 813562690 /nfs/dbraw/zinc/56/26/90/813562690.db2.gz UIGCEJZRYAJQMD-CVEARBPZSA-N 2 1 330.436 -0.140 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCn1cncn1)C1CC1 ZINC001266412463 813562694 /nfs/dbraw/zinc/56/26/94/813562694.db2.gz UIGCEJZRYAJQMD-CVEARBPZSA-N 2 1 330.436 -0.140 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001266495632 813585715 /nfs/dbraw/zinc/58/57/15/813585715.db2.gz QEAOQICBGXIZJP-KRWDZBQOSA-N 2 1 344.459 -0.338 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001266495632 813585719 /nfs/dbraw/zinc/58/57/19/813585719.db2.gz QEAOQICBGXIZJP-KRWDZBQOSA-N 2 1 344.459 -0.338 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001266915969 813700565 /nfs/dbraw/zinc/70/05/65/813700565.db2.gz HETMXGFYIMKEGM-UHFFFAOYSA-N 2 1 331.420 -0.042 20 30 EBEDMP N#CCNC(=O)C[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001267325467 813848319 /nfs/dbraw/zinc/84/83/19/813848319.db2.gz IBGQUDSXWLWDBK-OAHLLOKOSA-N 2 1 333.436 -0.451 20 30 EBEDMP N#CCNC(=O)C[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001267325467 813848329 /nfs/dbraw/zinc/84/83/29/813848329.db2.gz IBGQUDSXWLWDBK-OAHLLOKOSA-N 2 1 333.436 -0.451 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001267494313 813916067 /nfs/dbraw/zinc/91/60/67/813916067.db2.gz RLQHREUYTAXQRR-GDBMZVCRSA-N 2 1 334.464 -0.096 20 30 EBEDMP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[NH+](CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001267558586 813929629 /nfs/dbraw/zinc/92/96/29/813929629.db2.gz CAGBQAUPGDUEHR-QLFBSQMISA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[N@H+](CC(=O)NCC#N)C2)CC[NH+]1C ZINC001267558586 813929636 /nfs/dbraw/zinc/92/96/36/813929636.db2.gz CAGBQAUPGDUEHR-QLFBSQMISA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)CC[NH+]1C ZINC001267558586 813929643 /nfs/dbraw/zinc/92/96/43/813929643.db2.gz CAGBQAUPGDUEHR-QLFBSQMISA-N 2 1 335.452 -0.205 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001268291507 814173972 /nfs/dbraw/zinc/17/39/72/814173972.db2.gz MWDRBVKSZXTXGS-LSDHHAIUSA-N 2 1 331.420 -0.185 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)NCc2ccc(C[NH2+]CC(=O)NCC#N)cc2)C1 ZINC001270082395 815683670 /nfs/dbraw/zinc/68/36/70/815683670.db2.gz WPQUFIUSPPRMIW-INIZCTEOSA-N 2 1 343.431 -0.016 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2O)CC1 ZINC001084090049 815826756 /nfs/dbraw/zinc/82/67/56/815826756.db2.gz HQQXEJYFKFUKQD-MSOLQXFVSA-N 2 1 349.475 -0.081 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]2O)CC1 ZINC001084090408 815827273 /nfs/dbraw/zinc/82/72/73/815827273.db2.gz YSDJFMGLYRYBRW-NXHRZFHOSA-N 2 1 349.475 -0.081 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]2C1 ZINC001271880311 816243012 /nfs/dbraw/zinc/24/30/12/816243012.db2.gz LCDQLQWJNHNCLV-MELADBBJSA-N 2 1 329.404 -0.520 20 30 EBEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001086973240 816428863 /nfs/dbraw/zinc/42/88/63/816428863.db2.gz VUZPAKUYMJTEID-XHSDSOJGSA-N 2 1 333.436 -0.179 20 30 EBEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001086973240 816428867 /nfs/dbraw/zinc/42/88/67/816428867.db2.gz VUZPAKUYMJTEID-XHSDSOJGSA-N 2 1 333.436 -0.179 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC)CC[C@@H]3C2)CC1 ZINC001088212080 816649182 /nfs/dbraw/zinc/64/91/82/816649182.db2.gz NYOSZASJCYKQRJ-SJORKVTESA-N 2 1 346.475 -0.142 20 30 EBEDMP C#CCN1C[C@]2(CC1=O)COCC[N@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001273728255 816742915 /nfs/dbraw/zinc/74/29/15/816742915.db2.gz IMVKWAWAGLMHHG-LJQANCHMSA-N 2 1 348.491 -0.192 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]Cc2nccnc2C)CC1 ZINC001278201151 817724299 /nfs/dbraw/zinc/72/42/99/817724299.db2.gz ASCARUYXYXSLGG-INIZCTEOSA-N 2 1 345.447 -0.303 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCOCCO)C(C)(C)C1 ZINC001278650265 817789112 /nfs/dbraw/zinc/78/91/12/817789112.db2.gz DUNAYTPCUMLBQC-JKSUJKDBSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCOCCO)C(C)(C)C1 ZINC001278650265 817789118 /nfs/dbraw/zinc/78/91/18/817789118.db2.gz DUNAYTPCUMLBQC-JKSUJKDBSA-N 2 1 337.464 -0.081 20 30 EBEDMP COCC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001278873129 817876883 /nfs/dbraw/zinc/87/68/83/817876883.db2.gz AQNXQCGALSOLEZ-HOTGVXAUSA-N 2 1 325.453 -0.271 20 30 EBEDMP COCC#CC[NH+](C)C[C@H](O)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001278873129 817876899 /nfs/dbraw/zinc/87/68/99/817876899.db2.gz AQNXQCGALSOLEZ-HOTGVXAUSA-N 2 1 325.453 -0.271 20 30 EBEDMP COCC#CC[NH+](C)C[C@H](O)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001278873129 817876903 /nfs/dbraw/zinc/87/69/03/817876903.db2.gz AQNXQCGALSOLEZ-HOTGVXAUSA-N 2 1 325.453 -0.271 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001279372772 817921322 /nfs/dbraw/zinc/92/13/22/817921322.db2.gz ZYCZSVDZQZCOEN-MWDXBVQZSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC001279372772 817921329 /nfs/dbraw/zinc/92/13/29/817921329.db2.gz ZYCZSVDZQZCOEN-MWDXBVQZSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001279372772 817921337 /nfs/dbraw/zinc/92/13/37/817921337.db2.gz ZYCZSVDZQZCOEN-MWDXBVQZSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001279372776 817921801 /nfs/dbraw/zinc/92/18/01/817921801.db2.gz ZYCZSVDZQZCOEN-NXOAAHMSSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC001279372776 817921808 /nfs/dbraw/zinc/92/18/08/817921808.db2.gz ZYCZSVDZQZCOEN-NXOAAHMSSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001279372776 817921814 /nfs/dbraw/zinc/92/18/14/817921814.db2.gz ZYCZSVDZQZCOEN-NXOAAHMSSA-N 2 1 346.475 -0.001 20 30 EBEDMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001279370738 817921837 /nfs/dbraw/zinc/92/18/37/817921837.db2.gz ITFYAFWLRDFSDY-ZNMIVQPWSA-N 2 1 333.436 -0.499 20 30 EBEDMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001279370738 817921841 /nfs/dbraw/zinc/92/18/41/817921841.db2.gz ITFYAFWLRDFSDY-ZNMIVQPWSA-N 2 1 333.436 -0.499 20 30 EBEDMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001279370738 817921846 /nfs/dbraw/zinc/92/18/46/817921846.db2.gz ITFYAFWLRDFSDY-ZNMIVQPWSA-N 2 1 333.436 -0.499 20 30 EBEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CC#CCOC)C[C@@H]3C2)C1 ZINC001279415806 817926997 /nfs/dbraw/zinc/92/69/97/817926997.db2.gz FDXTWZCOHUSZGO-IXDOHACOSA-N 2 1 335.448 -0.253 20 30 EBEDMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CC#CCOC)C[C@@H]3C2)C1 ZINC001279415806 817927001 /nfs/dbraw/zinc/92/70/01/817927001.db2.gz FDXTWZCOHUSZGO-IXDOHACOSA-N 2 1 335.448 -0.253 20 30 EBEDMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC#CCOC)C[C@@H]3C2)C1 ZINC001279415806 817927005 /nfs/dbraw/zinc/92/70/05/817927005.db2.gz FDXTWZCOHUSZGO-IXDOHACOSA-N 2 1 335.448 -0.253 20 30 EBEDMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC#CCOC)C[C@@H]3C2)C1 ZINC001279415806 817927009 /nfs/dbraw/zinc/92/70/09/817927009.db2.gz FDXTWZCOHUSZGO-IXDOHACOSA-N 2 1 335.448 -0.253 20 30 EBEDMP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001282870625 818510855 /nfs/dbraw/zinc/51/08/55/818510855.db2.gz GJIPVWPGWFBUGB-APIJFGDWSA-N 2 1 333.436 -0.596 20 30 EBEDMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001282870625 818510864 /nfs/dbraw/zinc/51/08/64/818510864.db2.gz GJIPVWPGWFBUGB-APIJFGDWSA-N 2 1 333.436 -0.596 20 30 EBEDMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001282870625 818510873 /nfs/dbraw/zinc/51/08/73/818510873.db2.gz GJIPVWPGWFBUGB-APIJFGDWSA-N 2 1 333.436 -0.596 20 30 EBEDMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001282870625 818510880 /nfs/dbraw/zinc/51/08/80/818510880.db2.gz GJIPVWPGWFBUGB-APIJFGDWSA-N 2 1 333.436 -0.596 20 30 EBEDMP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@]2(C)C[NH+](CC(=O)NCC#N)C[C@]2(C)C1 ZINC001282992084 818568218 /nfs/dbraw/zinc/56/82/18/818568218.db2.gz HCTGLXXGFWJFOF-OLMNPRSZSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@]2(C)C[NH+](CC(=O)NCC#N)C[C@]2(C)C1 ZINC001282992084 818568225 /nfs/dbraw/zinc/56/82/25/818568225.db2.gz HCTGLXXGFWJFOF-OLMNPRSZSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@]2(C)C[N@H+](CC(=O)NCC#N)C[C@]2(C)C1 ZINC001282992084 818568232 /nfs/dbraw/zinc/56/82/32/818568232.db2.gz HCTGLXXGFWJFOF-OLMNPRSZSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+](CC(=O)NCC#N)C[C@]2(C)C1 ZINC001282992084 818568237 /nfs/dbraw/zinc/56/82/37/818568237.db2.gz HCTGLXXGFWJFOF-OLMNPRSZSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[NH+](C)CCC(=O)NCCC[NH+]1CCN(c2ccnc(C#N)n2)CC1 ZINC001096258801 818758843 /nfs/dbraw/zinc/75/88/43/818758843.db2.gz GJCJPKSSJCCSRD-UHFFFAOYSA-N 2 1 345.451 -0.072 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1C ZINC001283553653 818853545 /nfs/dbraw/zinc/85/35/45/818853545.db2.gz AGMYCBALOITPIZ-HNNXBMFYSA-N 2 1 331.420 -0.232 20 30 EBEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001098374052 819156303 /nfs/dbraw/zinc/15/63/03/819156303.db2.gz SWRCXSZASNYGRR-SJORKVTESA-N 2 1 335.448 -0.232 20 30 EBEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001098374052 819156305 /nfs/dbraw/zinc/15/63/05/819156305.db2.gz SWRCXSZASNYGRR-SJORKVTESA-N 2 1 335.448 -0.232 20 30 EBEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001098374052 819156309 /nfs/dbraw/zinc/15/63/09/819156309.db2.gz SWRCXSZASNYGRR-SJORKVTESA-N 2 1 335.448 -0.232 20 30 EBEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001098374050 819156456 /nfs/dbraw/zinc/15/64/56/819156456.db2.gz SWRCXSZASNYGRR-IAGOWNOFSA-N 2 1 335.448 -0.232 20 30 EBEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001098374050 819156461 /nfs/dbraw/zinc/15/64/61/819156461.db2.gz SWRCXSZASNYGRR-IAGOWNOFSA-N 2 1 335.448 -0.232 20 30 EBEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001098374050 819156464 /nfs/dbraw/zinc/15/64/64/819156464.db2.gz SWRCXSZASNYGRR-IAGOWNOFSA-N 2 1 335.448 -0.232 20 30 EBEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)nn1 ZINC001098767391 819360060 /nfs/dbraw/zinc/36/00/60/819360060.db2.gz LRYGFGGGIDSFCJ-OAHLLOKOSA-N 2 1 336.440 -0.095 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101349127 820762624 /nfs/dbraw/zinc/76/26/24/820762624.db2.gz ZBWQZLBPDJERTJ-APWZRJJASA-N 2 1 346.475 -0.142 20 30 EBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001102090980 821023430 /nfs/dbraw/zinc/02/34/30/821023430.db2.gz MPRMAEVXRGETPP-KFWWJZLASA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001102090980 821023438 /nfs/dbraw/zinc/02/34/38/821023438.db2.gz MPRMAEVXRGETPP-KFWWJZLASA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001102090980 821023448 /nfs/dbraw/zinc/02/34/48/821023448.db2.gz MPRMAEVXRGETPP-KFWWJZLASA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)CCn1ccnc1 ZINC001102205071 821045978 /nfs/dbraw/zinc/04/59/78/821045978.db2.gz KBRFLVNCDJNTDF-ZIAGYGMSSA-N 2 1 332.408 -0.403 20 30 EBEDMP C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)CCn1ccnc1 ZINC001102205071 821045987 /nfs/dbraw/zinc/04/59/87/821045987.db2.gz KBRFLVNCDJNTDF-ZIAGYGMSSA-N 2 1 332.408 -0.403 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102780710 821211833 /nfs/dbraw/zinc/21/18/33/821211833.db2.gz LEKROXMRGZXSSE-OAGGEKHMSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001102780710 821211843 /nfs/dbraw/zinc/21/18/43/821211843.db2.gz LEKROXMRGZXSSE-OAGGEKHMSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001102780710 821211854 /nfs/dbraw/zinc/21/18/54/821211854.db2.gz LEKROXMRGZXSSE-OAGGEKHMSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001317214415 822040125 /nfs/dbraw/zinc/04/01/25/822040125.db2.gz MQRIBFZKDDMOTH-RANDSVEQSA-N 2 1 332.448 -0.345 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001317214415 822040134 /nfs/dbraw/zinc/04/01/34/822040134.db2.gz MQRIBFZKDDMOTH-RANDSVEQSA-N 2 1 332.448 -0.345 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001317214415 822040138 /nfs/dbraw/zinc/04/01/38/822040138.db2.gz MQRIBFZKDDMOTH-RANDSVEQSA-N 2 1 332.448 -0.345 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001317214415 822040148 /nfs/dbraw/zinc/04/01/48/822040148.db2.gz MQRIBFZKDDMOTH-RANDSVEQSA-N 2 1 332.448 -0.345 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001317333992 822086792 /nfs/dbraw/zinc/08/67/92/822086792.db2.gz PJOHPZRWPIVLPT-XHSDSOJGSA-N 2 1 334.464 -0.096 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001317483669 822127566 /nfs/dbraw/zinc/12/75/66/822127566.db2.gz GMCRZHUMHXYWKX-CYBMUJFWSA-N 2 1 339.440 -0.470 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001317483669 822127572 /nfs/dbraw/zinc/12/75/72/822127572.db2.gz GMCRZHUMHXYWKX-CYBMUJFWSA-N 2 1 339.440 -0.470 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001317483669 822127579 /nfs/dbraw/zinc/12/75/79/822127579.db2.gz GMCRZHUMHXYWKX-CYBMUJFWSA-N 2 1 339.440 -0.470 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001317483669 822127582 /nfs/dbraw/zinc/12/75/82/822127582.db2.gz GMCRZHUMHXYWKX-CYBMUJFWSA-N 2 1 339.440 -0.470 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106666337 822307892 /nfs/dbraw/zinc/30/78/92/822307892.db2.gz KXWMRJHPTKPNAU-BZUAXINKSA-N 2 1 334.464 -0.238 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106666336 822308206 /nfs/dbraw/zinc/30/82/06/822308206.db2.gz KXWMRJHPTKPNAU-ARFHVFGLSA-N 2 1 334.464 -0.238 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001128773513 828524308 /nfs/dbraw/zinc/52/43/08/828524308.db2.gz AKRHLAJHXYOYPF-CYBMUJFWSA-N 2 1 339.440 -0.422 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129387339 828610946 /nfs/dbraw/zinc/61/09/46/828610946.db2.gz ULJPRSQJIRPEGT-KBPBESRZSA-N 2 1 336.440 -0.790 20 30 EBEDMP C=CCOCC[N@@H+]1CCO[C@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343774 824230407 /nfs/dbraw/zinc/23/04/07/824230407.db2.gz ZRJZNHMRTLPWTP-QGZVFWFLSA-N 2 1 343.468 -0.026 20 30 EBEDMP C=CCOCC[N@H+]1CCO[C@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343774 824230414 /nfs/dbraw/zinc/23/04/14/824230414.db2.gz ZRJZNHMRTLPWTP-QGZVFWFLSA-N 2 1 343.468 -0.026 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129897808 828690224 /nfs/dbraw/zinc/69/02/24/828690224.db2.gz IGWHCDKMWIOSQP-PMPSAXMXSA-N 2 1 346.435 -0.900 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129897808 828690226 /nfs/dbraw/zinc/69/02/26/828690226.db2.gz IGWHCDKMWIOSQP-PMPSAXMXSA-N 2 1 346.435 -0.900 20 30 EBEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130005646 828712717 /nfs/dbraw/zinc/71/27/17/828712717.db2.gz BAEAJSVYSKWHBM-XHSDSOJGSA-N 2 1 330.436 -0.015 20 30 EBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130005792 828712732 /nfs/dbraw/zinc/71/27/32/828712732.db2.gz HJAIPOOBZYMNLM-OAGGEKHMSA-N 2 1 330.436 -0.015 20 30 EBEDMP CC#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001130123120 828736523 /nfs/dbraw/zinc/73/65/23/828736523.db2.gz HJRVJUNQMFIGLU-CABCVRRESA-N 2 1 327.392 -0.152 20 30 EBEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130180275 828746427 /nfs/dbraw/zinc/74/64/27/828746427.db2.gz KIBSVVSMRJDTTF-HUUCEWRRSA-N 2 1 340.468 -0.164 20 30 EBEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130180275 828746431 /nfs/dbraw/zinc/74/64/31/828746431.db2.gz KIBSVVSMRJDTTF-HUUCEWRRSA-N 2 1 340.468 -0.164 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001112578494 825458599 /nfs/dbraw/zinc/45/85/99/825458599.db2.gz RGYMPDUVLOQIRT-MPGHIAIKSA-N 2 1 347.463 -0.204 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001112578322 825458679 /nfs/dbraw/zinc/45/86/79/825458679.db2.gz JMCKDQJMQOELSX-GJYPPUQNSA-N 2 1 346.475 -0.094 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC001114456116 826254853 /nfs/dbraw/zinc/25/48/53/826254853.db2.gz OUGFRTUWFHXEGT-QLPKVWCKSA-N 2 1 344.459 -0.342 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC001114456116 826254858 /nfs/dbraw/zinc/25/48/58/826254858.db2.gz OUGFRTUWFHXEGT-QLPKVWCKSA-N 2 1 344.459 -0.342 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001114925290 826373448 /nfs/dbraw/zinc/37/34/48/826373448.db2.gz RESAQMUGZZUPDG-HWWDLCQESA-N 2 1 332.448 -0.486 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001114925290 826373454 /nfs/dbraw/zinc/37/34/54/826373454.db2.gz RESAQMUGZZUPDG-HWWDLCQESA-N 2 1 332.448 -0.486 20 30 EBEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001183249446 833284709 /nfs/dbraw/zinc/28/47/09/833284709.db2.gz IWQRJSMJHPFZTL-HZPDHXFCSA-N 2 1 333.436 -0.346 20 30 EBEDMP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC[N@H+](C)C3)n2)O1 ZINC001130817527 828946189 /nfs/dbraw/zinc/94/61/89/828946189.db2.gz RERCJUDXOJVJST-HZSPNIEDSA-N 2 1 346.435 -0.185 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC001184810346 833340855 /nfs/dbraw/zinc/34/08/55/833340855.db2.gz NRHJWGJNORJDKR-ZFWWWQNUSA-N 2 1 346.435 -0.095 20 30 EBEDMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)CC2 ZINC001185214263 833350323 /nfs/dbraw/zinc/35/03/23/833350323.db2.gz SGXWUQITWHJHDY-UONOGXRCSA-N 2 1 344.419 -0.416 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001185689165 833367162 /nfs/dbraw/zinc/36/71/62/833367162.db2.gz AJAUMWMYRULIJV-HIFRSBDPSA-N 2 1 346.435 -0.095 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001185689166 833367255 /nfs/dbraw/zinc/36/72/55/833367255.db2.gz AJAUMWMYRULIJV-UKRRQHHQSA-N 2 1 346.435 -0.095 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC001185689167 833367281 /nfs/dbraw/zinc/36/72/81/833367281.db2.gz AJAUMWMYRULIJV-ZFWWWQNUSA-N 2 1 346.435 -0.095 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135675637 830004796 /nfs/dbraw/zinc/00/47/96/830004796.db2.gz JPJOYEOZBSHGKH-GJZGRUSLSA-N 2 1 338.452 -0.669 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582950 830367756 /nfs/dbraw/zinc/36/77/56/830367756.db2.gz KAEWISUPXWTGSD-BZUAXINKSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001147582950 830367764 /nfs/dbraw/zinc/36/77/64/830367764.db2.gz KAEWISUPXWTGSD-BZUAXINKSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001147582950 830367774 /nfs/dbraw/zinc/36/77/74/830367774.db2.gz KAEWISUPXWTGSD-BZUAXINKSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147725069 830400977 /nfs/dbraw/zinc/40/09/77/830400977.db2.gz RHGRCLHGLCWXAA-INIZCTEOSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147725069 830400979 /nfs/dbraw/zinc/40/09/79/830400979.db2.gz RHGRCLHGLCWXAA-INIZCTEOSA-N 2 1 332.448 -0.390 20 30 EBEDMP C[NH+](C)[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC#N)C2)C1CC1 ZINC001147724271 830401130 /nfs/dbraw/zinc/40/11/30/830401130.db2.gz JWKZGSTVLHVDKK-OAHLLOKOSA-N 2 1 333.436 -0.499 20 30 EBEDMP C[NH+](C)[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC#N)C2)C1CC1 ZINC001147724271 830401135 /nfs/dbraw/zinc/40/11/35/830401135.db2.gz JWKZGSTVLHVDKK-OAHLLOKOSA-N 2 1 333.436 -0.499 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147900506 830429004 /nfs/dbraw/zinc/42/90/04/830429004.db2.gz OXHANMCSOWIRQU-QWHCGFSZSA-N 2 1 339.440 -0.566 20 30 EBEDMP C[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CC(=O)NCC#N)C3)CC1 ZINC001148200032 830457084 /nfs/dbraw/zinc/45/70/84/830457084.db2.gz ZDIRBTYMUYTSTD-UHFFFAOYSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NCC#N)C3)CC1 ZINC001148200032 830457088 /nfs/dbraw/zinc/45/70/88/830457088.db2.gz ZDIRBTYMUYTSTD-UHFFFAOYSA-N 2 1 333.436 -0.498 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148748427 830536486 /nfs/dbraw/zinc/53/64/86/830536486.db2.gz SCOPMQCTRAFPAE-HUUCEWRRSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001148748427 830536489 /nfs/dbraw/zinc/53/64/89/830536489.db2.gz SCOPMQCTRAFPAE-HUUCEWRRSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148748427 830536495 /nfs/dbraw/zinc/53/64/95/830536495.db2.gz SCOPMQCTRAFPAE-HUUCEWRRSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148748528 830537428 /nfs/dbraw/zinc/53/74/28/830537428.db2.gz SCOPMQCTRAFPAE-LSDHHAIUSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001148748528 830537436 /nfs/dbraw/zinc/53/74/36/830537436.db2.gz SCOPMQCTRAFPAE-LSDHHAIUSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148748528 830537443 /nfs/dbraw/zinc/53/74/43/830537443.db2.gz SCOPMQCTRAFPAE-LSDHHAIUSA-N 2 1 332.448 -0.390 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151073929 831021471 /nfs/dbraw/zinc/02/14/71/831021471.db2.gz SPTANQJNEAPSMR-NWDGAFQWSA-N 2 1 325.413 -0.956 20 30 EBEDMP C#C[C@](C)([NH3+])C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159403279 831750043 /nfs/dbraw/zinc/75/00/43/831750043.db2.gz PPKQRMWHEDGNLW-ZJOBFFGXSA-N 2 1 329.404 -0.215 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NCC=C ZINC001160197976 831824718 /nfs/dbraw/zinc/82/47/18/831824718.db2.gz QJLHEFZKYDLEMO-AWEZNQCLSA-N 2 1 349.435 -0.808 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NCC=C ZINC001160197976 831824720 /nfs/dbraw/zinc/82/47/20/831824720.db2.gz QJLHEFZKYDLEMO-AWEZNQCLSA-N 2 1 349.435 -0.808 20 30 EBEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1=O ZINC001160851118 831894902 /nfs/dbraw/zinc/89/49/02/831894902.db2.gz RZRFHMIKGZDQQG-QLFBSQMISA-N 2 1 338.452 -0.412 20 30 EBEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1=O ZINC001160851118 831894908 /nfs/dbraw/zinc/89/49/08/831894908.db2.gz RZRFHMIKGZDQQG-QLFBSQMISA-N 2 1 338.452 -0.412 20 30 EBEDMP N#CCNC(=O)C[NH2+]CCCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001162663546 832058991 /nfs/dbraw/zinc/05/89/91/832058991.db2.gz WEUKWXQILNLXJP-UHFFFAOYSA-N 2 1 332.408 -0.502 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001164535679 832194958 /nfs/dbraw/zinc/19/49/58/832194958.db2.gz AFEJAKJCSHUNFE-LSDHHAIUSA-N 2 1 338.452 -0.671 20 30 EBEDMP C[C@H]1CCC[N@H+]1CC(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001167225400 832318239 /nfs/dbraw/zinc/31/82/39/832318239.db2.gz UIFYVVALMOMHHN-AWEZNQCLSA-N 2 1 335.452 -0.013 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001168154900 832400553 /nfs/dbraw/zinc/40/05/53/832400553.db2.gz YIGQFYSPUQNVKF-UHFFFAOYSA-N 2 1 332.408 -0.293 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001177344568 832776590 /nfs/dbraw/zinc/77/65/90/832776590.db2.gz LINGLXVBQLCSFJ-UHFFFAOYSA-N 2 1 330.432 -0.036 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001177344568 832776592 /nfs/dbraw/zinc/77/65/92/832776592.db2.gz LINGLXVBQLCSFJ-UHFFFAOYSA-N 2 1 330.432 -0.036 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801451 834193762 /nfs/dbraw/zinc/19/37/62/834193762.db2.gz GWLQTMGZAQZMBY-HRCADAONSA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801451 834193764 /nfs/dbraw/zinc/19/37/64/834193764.db2.gz GWLQTMGZAQZMBY-HRCADAONSA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190435517 834268485 /nfs/dbraw/zinc/26/84/85/834268485.db2.gz FYQDKELXRWGPQX-GJZGRUSLSA-N 2 1 340.443 -0.052 20 30 EBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190435517 834268491 /nfs/dbraw/zinc/26/84/91/834268491.db2.gz FYQDKELXRWGPQX-GJZGRUSLSA-N 2 1 340.443 -0.052 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC[C@@H](C)O)C[C@H]2O)CC1 ZINC001199030775 835753105 /nfs/dbraw/zinc/75/31/05/835753105.db2.gz YWCQOPBLIMQLFD-DJIMGWMZSA-N 2 1 337.464 -0.346 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200115516 835910903 /nfs/dbraw/zinc/91/09/03/835910903.db2.gz NAPJNEKIRRPVDV-GJZGRUSLSA-N 2 1 336.436 -0.963 20 30 EBEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200182553 835925946 /nfs/dbraw/zinc/92/59/46/835925946.db2.gz QECHSDVCFDOZDD-HZPDHXFCSA-N 2 1 341.452 -0.273 20 30 EBEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200182553 835925951 /nfs/dbraw/zinc/92/59/51/835925951.db2.gz QECHSDVCFDOZDD-HZPDHXFCSA-N 2 1 341.452 -0.273 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCCO1 ZINC001200976621 836077848 /nfs/dbraw/zinc/07/78/48/836077848.db2.gz VXJMBJMRGUOCPL-HNNXBMFYSA-N 2 1 349.435 -0.299 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCCO1 ZINC001201800165 836193274 /nfs/dbraw/zinc/19/32/74/836193274.db2.gz FDNYDFVOMNCABJ-OAHLLOKOSA-N 2 1 338.452 -0.715 20 30 EBEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203576950 836448616 /nfs/dbraw/zinc/44/86/16/836448616.db2.gz LTQQITRYLKJHLW-UONOGXRCSA-N 2 1 335.452 -0.015 20 30 EBEDMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203641017 836456737 /nfs/dbraw/zinc/45/67/37/836456737.db2.gz MBIDHJOELQMIBX-KGLIPLIRSA-N 2 1 335.452 -0.015 20 30 EBEDMP N#CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001206901413 836701171 /nfs/dbraw/zinc/70/11/71/836701171.db2.gz UTOJRKCHHFHUJX-SFHVURJKSA-N 2 1 347.463 -0.060 20 30 EBEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210315571 837269295 /nfs/dbraw/zinc/26/92/95/837269295.db2.gz RQEVGWSGTMOWKI-ZIAGYGMSSA-N 2 1 326.441 -0.697 20 30 EBEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210315571 837269304 /nfs/dbraw/zinc/26/93/04/837269304.db2.gz RQEVGWSGTMOWKI-ZIAGYGMSSA-N 2 1 326.441 -0.697 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001324249554 839616036 /nfs/dbraw/zinc/61/60/36/839616036.db2.gz LNZWJZPIQFYOTL-HNNXBMFYSA-N 2 1 338.452 -0.409 20 30 EBEDMP C#CCN(C(=O)[C@H](C)C[NH+]1CCOCC1)C1CC[NH+](CCO)CC1 ZINC001324439940 839658418 /nfs/dbraw/zinc/65/84/18/839658418.db2.gz MROCMBFUAQKLGS-MRXNPFEDSA-N 2 1 337.464 -0.127 20 30 EBEDMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@](C)(C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001324813498 839718765 /nfs/dbraw/zinc/71/87/65/839718765.db2.gz OAOBPUXVOPTXFB-YOEHRIQHSA-N 2 1 335.452 -0.204 20 30 EBEDMP C[NH+]1CCC(C(=O)N2CC3(C2)CC[NH+](CC(=O)NCC#N)CC3)CC1 ZINC001326599516 840147227 /nfs/dbraw/zinc/14/72/27/840147227.db2.gz SVJPSNZIXGZXMG-UHFFFAOYSA-N 2 1 347.463 -0.108 20 30 EBEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001481124331 1125927570 /nfs/dbraw/zinc/92/75/70/1125927570.db2.gz OTKAGOURNKBALX-GJZGRUSLSA-N 2 1 338.452 -0.553 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCn1cncn1 ZINC001482059000 1126074621 /nfs/dbraw/zinc/07/46/21/1126074621.db2.gz VRVYPFRUJRBVFZ-CVEARBPZSA-N 2 1 330.436 -0.044 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCn1cncn1 ZINC001482059000 1126074623 /nfs/dbraw/zinc/07/46/23/1126074623.db2.gz VRVYPFRUJRBVFZ-CVEARBPZSA-N 2 1 330.436 -0.044 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001482066735 1126075356 /nfs/dbraw/zinc/07/53/56/1126075356.db2.gz IRCPGDBEKAWFSS-DZGCQCFKSA-N 2 1 331.420 -0.090 20 30 EBEDMP COCC#CC[N@@H+](C)CCOCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001691606856 1126325119 /nfs/dbraw/zinc/32/51/19/1126325119.db2.gz VSVRKAQOYZQUJB-INIZCTEOSA-N 2 1 325.453 -0.005 20 30 EBEDMP COCC#CC[NH+](C)CCOCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001691606856 1126325121 /nfs/dbraw/zinc/32/51/21/1126325121.db2.gz VSVRKAQOYZQUJB-INIZCTEOSA-N 2 1 325.453 -0.005 20 30 EBEDMP COCC#CC[NH+](C)CCOCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001691606856 1126325122 /nfs/dbraw/zinc/32/51/22/1126325122.db2.gz VSVRKAQOYZQUJB-INIZCTEOSA-N 2 1 325.453 -0.005 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001484413652 1126571324 /nfs/dbraw/zinc/57/13/24/1126571324.db2.gz SDEIMXGADKEKBW-OKILXGFUSA-N 2 1 331.420 -0.888 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC001484688789 1126622216 /nfs/dbraw/zinc/62/22/16/1126622216.db2.gz MULJVYBPCVCEDQ-GJZGRUSLSA-N 2 1 336.436 -0.963 20 30 EBEDMP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC(=O)NCC#N)CC2)CC1 ZINC001484722186 1126627607 /nfs/dbraw/zinc/62/76/07/1126627607.db2.gz FSRRDNZXMNNOJV-HNNXBMFYSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NCC#N)CC2)CC1 ZINC001484722186 1126627609 /nfs/dbraw/zinc/62/76/09/1126627609.db2.gz FSRRDNZXMNNOJV-HNNXBMFYSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[N@@H+](CC(=O)NCC#N)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001485757609 1126820327 /nfs/dbraw/zinc/82/03/27/1126820327.db2.gz KZBBHICRTFIEEC-INIZCTEOSA-N 2 1 347.463 -0.109 20 30 EBEDMP COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001486294535 1127103142 /nfs/dbraw/zinc/10/31/42/1127103142.db2.gz IPJNPWAVQONGNG-DOTOQJQBSA-N 2 1 348.447 -0.187 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001489208339 1128931795 /nfs/dbraw/zinc/93/17/95/1128931795.db2.gz RTAMWLJYOTXXJJ-CVEARBPZSA-N 2 1 332.448 -0.388 20 30 EBEDMP C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2C[NH2+]CC(=O)NCC#N)C1 ZINC001491264626 1130378324 /nfs/dbraw/zinc/37/83/24/1130378324.db2.gz UEIIPCNFOBIJDH-GJZGRUSLSA-N 2 1 335.452 -0.061 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001491351298 1130409856 /nfs/dbraw/zinc/40/98/56/1130409856.db2.gz CVKXCWGZUVPDPX-RUXDESIVSA-N 2 1 349.435 -0.704 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001491351298 1130409858 /nfs/dbraw/zinc/40/98/58/1130409858.db2.gz CVKXCWGZUVPDPX-RUXDESIVSA-N 2 1 349.435 -0.704 20 30 EBEDMP CC[N@H+]1CC[C@H](CNC(=[NH+]C)N2CCN(c3cnn(C)c3)C(=O)C2)C1 ZINC000261704411 379223698 /nfs/dbraw/zinc/22/36/98/379223698.db2.gz JKWQAUJHPFVVGV-CQSZACIVSA-N 2 1 347.467 -0.014 20 30 EBEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC(=O)NCCc1ccccc1 ZINC000264065540 379244208 /nfs/dbraw/zinc/24/42/08/379244208.db2.gz AYKGCDTUYDSIFH-UHFFFAOYSA-N 2 1 347.463 -0.028 20 30 EBEDMP Cn1cc(CN2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)cn1 ZINC000329344511 381595323 /nfs/dbraw/zinc/59/53/23/381595323.db2.gz CLLBUISSECPTJY-INIZCTEOSA-N 2 1 349.483 -0.303 20 30 EBEDMP Cn1cc(CN2CCN(C(=O)NC[C@H]3CN(C)CCN3C)CC2)cn1 ZINC000329344511 381595332 /nfs/dbraw/zinc/59/53/32/381595332.db2.gz CLLBUISSECPTJY-INIZCTEOSA-N 2 1 349.483 -0.303 20 30 EBEDMP CC[C@@H]1CN(C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC[N@H+]1C[C@H](C)O ZINC000329762502 381692572 /nfs/dbraw/zinc/69/25/72/381692572.db2.gz SSWOGMZUOFZDBI-ARFHVFGLSA-N 2 1 341.500 -0.077 20 30 EBEDMP CC[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC[NH+]1C[C@H](C)O ZINC000329762502 381692583 /nfs/dbraw/zinc/69/25/83/381692583.db2.gz SSWOGMZUOFZDBI-ARFHVFGLSA-N 2 1 341.500 -0.077 20 30 EBEDMP CC[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC[NH+]1C[C@H](C)O ZINC000329762502 381692591 /nfs/dbraw/zinc/69/25/91/381692591.db2.gz SSWOGMZUOFZDBI-ARFHVFGLSA-N 2 1 341.500 -0.077 20 30 EBEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000330008671 381704582 /nfs/dbraw/zinc/70/45/82/381704582.db2.gz FQINRFJHYHDLAU-INIZCTEOSA-N 2 1 339.484 -0.057 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000766336231 583293697 /nfs/dbraw/zinc/29/36/97/583293697.db2.gz QNLUYEUYPPTPRW-CVEARBPZSA-N 2 1 332.448 -0.151 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000766336231 583293700 /nfs/dbraw/zinc/29/37/00/583293700.db2.gz QNLUYEUYPPTPRW-CVEARBPZSA-N 2 1 332.448 -0.151 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000766336231 583293703 /nfs/dbraw/zinc/29/37/03/583293703.db2.gz QNLUYEUYPPTPRW-CVEARBPZSA-N 2 1 332.448 -0.151 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000766336231 583293705 /nfs/dbraw/zinc/29/37/05/583293705.db2.gz QNLUYEUYPPTPRW-CVEARBPZSA-N 2 1 332.448 -0.151 20 30 EBEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC(=O)NCC(F)(F)F ZINC000170907959 649978754 /nfs/dbraw/zinc/97/87/54/649978754.db2.gz AORAZFAGVFNTIU-UHFFFAOYSA-N 2 1 325.335 -0.709 20 30 EBEDMP C[NH+]=C(NCCN1CCOCC1)NCCN1CCC[N@@H+](C)CC1 ZINC000303888285 649993178 /nfs/dbraw/zinc/99/31/78/649993178.db2.gz OVIHTCMTELIKHC-UHFFFAOYSA-N 2 1 326.489 -0.879 20 30 EBEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000303768976 649993332 /nfs/dbraw/zinc/99/33/32/649993332.db2.gz ARICWRCJORGWBK-INIZCTEOSA-N 2 1 341.500 -0.160 20 30 EBEDMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1C#N ZINC000912534968 650206785 /nfs/dbraw/zinc/20/67/85/650206785.db2.gz ILQSTVZGQALRLP-KKUMJFAQSA-N 2 1 333.436 -0.262 20 30 EBEDMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](C#N)C1 ZINC000912534968 650206787 /nfs/dbraw/zinc/20/67/87/650206787.db2.gz ILQSTVZGQALRLP-KKUMJFAQSA-N 2 1 333.436 -0.262 20 30 EBEDMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@@H](C#N)C1 ZINC000912534968 650206790 /nfs/dbraw/zinc/20/67/90/650206790.db2.gz ILQSTVZGQALRLP-KKUMJFAQSA-N 2 1 333.436 -0.262 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C#N)C1 ZINC000912535971 650207073 /nfs/dbraw/zinc/20/70/73/650207073.db2.gz PRVYXVGCMVCPFL-RRFJBIMHSA-N 2 1 333.436 -0.547 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@H](C#N)C2)C1 ZINC000912535971 650207076 /nfs/dbraw/zinc/20/70/76/650207076.db2.gz PRVYXVGCMVCPFL-RRFJBIMHSA-N 2 1 333.436 -0.547 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H](C#N)C2)C1 ZINC000912535971 650207077 /nfs/dbraw/zinc/20/70/77/650207077.db2.gz PRVYXVGCMVCPFL-RRFJBIMHSA-N 2 1 333.436 -0.547 20 30 EBEDMP C#CC[NH+]1CCC(NC(=O)NC2CC[NH+](CC(=O)NC)CC2)CC1 ZINC000914115976 650252283 /nfs/dbraw/zinc/25/22/83/650252283.db2.gz JYOYTESEDDMAKH-UHFFFAOYSA-N 2 1 335.452 -0.406 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)C[C@H]2C)CC1 ZINC000945183641 653360781 /nfs/dbraw/zinc/36/07/81/653360781.db2.gz RMSPLQYSFCFAIJ-GDBMZVCRSA-N 2 1 334.464 -0.096 20 30 EBEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000958076627 722301388 /nfs/dbraw/zinc/30/13/88/722301388.db2.gz ITMGCBGSJVAQOA-HOCLYGCPSA-N 2 1 333.436 -0.510 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+]([C@@H]3CCNC3=O)C2)CC1 ZINC000970923952 725342484 /nfs/dbraw/zinc/34/24/84/725342484.db2.gz IQRVIUFTHGLMEN-XJKSGUPXSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000991881309 725664363 /nfs/dbraw/zinc/66/43/63/725664363.db2.gz QWNBPGUEEPCCIO-IRXDYDNUSA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000991881309 725664368 /nfs/dbraw/zinc/66/43/68/725664368.db2.gz QWNBPGUEEPCCIO-IRXDYDNUSA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2nnnn2C)CC1 ZINC000996687491 726422410 /nfs/dbraw/zinc/42/24/10/726422410.db2.gz XAAWRRUFSMJEKA-HIFRSBDPSA-N 2 1 345.451 -0.051 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2nnnn2C)CC1 ZINC000996687491 726422411 /nfs/dbraw/zinc/42/24/11/726422411.db2.gz XAAWRRUFSMJEKA-HIFRSBDPSA-N 2 1 345.451 -0.051 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+]([C@H]3CCNC3=O)CC2)CC1 ZINC001001466573 726607651 /nfs/dbraw/zinc/60/76/51/726607651.db2.gz ASWUCVCRZVTONG-KRWDZBQOSA-N 2 1 344.459 -0.032 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+]([C@H]3CCNC3=O)CC2)CC1 ZINC001001466573 726607652 /nfs/dbraw/zinc/60/76/52/726607652.db2.gz ASWUCVCRZVTONG-KRWDZBQOSA-N 2 1 344.459 -0.032 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001016337324 728458479 /nfs/dbraw/zinc/45/84/79/728458479.db2.gz QZTZLCLXUKSVIH-CABCVRRESA-N 2 1 346.431 -0.673 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001016337324 728458481 /nfs/dbraw/zinc/45/84/81/728458481.db2.gz QZTZLCLXUKSVIH-CABCVRRESA-N 2 1 346.431 -0.673 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)CC1 ZINC001042368402 732418829 /nfs/dbraw/zinc/41/88/29/732418829.db2.gz QCFLXTOZFZDJPQ-ZBFHGGJFSA-N 2 1 332.448 -0.260 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@H]3C2)CC1 ZINC001042368402 732418832 /nfs/dbraw/zinc/41/88/32/732418832.db2.gz QCFLXTOZFZDJPQ-ZBFHGGJFSA-N 2 1 332.448 -0.260 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+]([C@@H](C)COC)C[C@@H]2O)CC1 ZINC001047638106 734294827 /nfs/dbraw/zinc/29/48/27/734294827.db2.gz BTCDKDUTXDOJDW-XIRDDKMYSA-N 2 1 337.464 -0.130 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC1 ZINC001050208359 734868518 /nfs/dbraw/zinc/86/85/18/734868518.db2.gz HKAVXDUDQKKMHQ-JKSUJKDBSA-N 2 1 332.448 -0.260 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1 ZINC001050208359 734868521 /nfs/dbraw/zinc/86/85/21/734868521.db2.gz HKAVXDUDQKKMHQ-JKSUJKDBSA-N 2 1 332.448 -0.260 20 30 EBEDMP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001055578923 736391985 /nfs/dbraw/zinc/39/19/85/736391985.db2.gz ZXNUQFMEMJWYGX-ZIAGYGMSSA-N 2 1 335.452 -0.205 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)[C@H]3CCNC3=O)C2)CC1 ZINC000980477701 805910002 /nfs/dbraw/zinc/91/00/02/805910002.db2.gz JGDNXUSTLQYVRA-CVEARBPZSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC000983903273 807117168 /nfs/dbraw/zinc/11/71/68/807117168.db2.gz BYGSKGOPBJQULD-DZKIICNBSA-N 2 1 330.436 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC000983903273 807117172 /nfs/dbraw/zinc/11/71/72/807117172.db2.gz BYGSKGOPBJQULD-DZKIICNBSA-N 2 1 330.436 -0.103 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001214856030 810286784 /nfs/dbraw/zinc/28/67/84/810286784.db2.gz VGMASVASWSEUMK-KFWWJZLASA-N 2 1 343.431 -0.054 20 30 EBEDMP C=CCCCCC[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676749 810793457 /nfs/dbraw/zinc/79/34/57/810793457.db2.gz WBKZIFCEMBXKOQ-AWEZNQCLSA-N 2 1 346.497 -0.199 20 30 EBEDMP N#Cc1cccc(C[C@H]([NH3+])C(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)c1 ZINC001219764492 810831206 /nfs/dbraw/zinc/83/12/06/810831206.db2.gz HBGRIVPPFDGFEE-IKGGRYGDSA-N 2 1 327.432 -0.162 20 30 EBEDMP N#Cc1cccc(C[C@H]([NH3+])C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)c1 ZINC001219764492 810831211 /nfs/dbraw/zinc/83/12/11/810831211.db2.gz HBGRIVPPFDGFEE-IKGGRYGDSA-N 2 1 327.432 -0.162 20 30 EBEDMP C#CC[C@]1(C(=O)NCc2cc(=O)n3c(n2)C[NH2+]CCC3)CCC[NH2+]1 ZINC001219806152 810852157 /nfs/dbraw/zinc/85/21/57/810852157.db2.gz LQUODPCACQVHLK-QGZVFWFLSA-N 2 1 329.404 -0.502 20 30 EBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220643217 811186342 /nfs/dbraw/zinc/18/63/42/811186342.db2.gz VWDIOHDGYVXWJE-CVEARBPZSA-N 2 1 341.452 -0.539 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221771960 811531387 /nfs/dbraw/zinc/53/13/87/811531387.db2.gz KEUCZVTZNDSCNF-ARFHVFGLSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221771960 811531393 /nfs/dbraw/zinc/53/13/93/811531393.db2.gz KEUCZVTZNDSCNF-ARFHVFGLSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001221883676 811556889 /nfs/dbraw/zinc/55/68/89/811556889.db2.gz PZYVHFWEXOBLGJ-ARFHVFGLSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001221883676 811556891 /nfs/dbraw/zinc/55/68/91/811556891.db2.gz PZYVHFWEXOBLGJ-ARFHVFGLSA-N 2 1 334.464 -0.001 20 30 EBEDMP C[NH+](C)CC#CCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001221893581 811558518 /nfs/dbraw/zinc/55/85/18/811558518.db2.gz CJXNRTLDCIWEIP-MRXNPFEDSA-N 2 1 337.468 -0.743 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001225525711 811816357 /nfs/dbraw/zinc/81/63/57/811816357.db2.gz UFANKVPCYMWOOS-KFWWJZLASA-N 2 1 338.452 -0.364 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001225525711 811816367 /nfs/dbraw/zinc/81/63/67/811816367.db2.gz UFANKVPCYMWOOS-KFWWJZLASA-N 2 1 338.452 -0.364 20 30 EBEDMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC#N)C1 ZINC001228604187 811991133 /nfs/dbraw/zinc/99/11/33/811991133.db2.gz YKWQJNNQNPOZKF-RBSFLKMASA-N 2 1 335.452 -0.015 20 30 EBEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC001246004720 812558123 /nfs/dbraw/zinc/55/81/23/812558123.db2.gz WURYOVLXSYDHPU-CABCVRRESA-N 2 1 329.441 -0.504 20 30 EBEDMP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001264085530 813149362 /nfs/dbraw/zinc/14/93/62/813149362.db2.gz QJTHTHPRXUSOBB-QLFBSQMISA-N 2 1 333.436 -0.499 20 30 EBEDMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001264085530 813149370 /nfs/dbraw/zinc/14/93/70/813149370.db2.gz QJTHTHPRXUSOBB-QLFBSQMISA-N 2 1 333.436 -0.499 20 30 EBEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001264085530 813149376 /nfs/dbraw/zinc/14/93/76/813149376.db2.gz QJTHTHPRXUSOBB-QLFBSQMISA-N 2 1 333.436 -0.499 20 30 EBEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001264085530 813149381 /nfs/dbraw/zinc/14/93/81/813149381.db2.gz QJTHTHPRXUSOBB-QLFBSQMISA-N 2 1 333.436 -0.499 20 30 EBEDMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001264393736 813170188 /nfs/dbraw/zinc/17/01/88/813170188.db2.gz JRUWWJVPEQUTBZ-QLFBSQMISA-N 2 1 335.452 -0.015 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001264408521 813172208 /nfs/dbraw/zinc/17/22/08/813172208.db2.gz KRPJUOAGYLTCGJ-YHUYYLMFSA-N 2 1 334.464 -0.050 20 30 EBEDMP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2C[N@H+](CC)CCO2)n1 ZINC001264584521 813185409 /nfs/dbraw/zinc/18/54/09/813185409.db2.gz XNKDZYLBKURIFG-CYBMUJFWSA-N 2 1 335.408 -0.205 20 30 EBEDMP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)n1 ZINC001264584521 813185412 /nfs/dbraw/zinc/18/54/12/813185412.db2.gz XNKDZYLBKURIFG-CYBMUJFWSA-N 2 1 335.408 -0.205 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001266599190 813617928 /nfs/dbraw/zinc/61/79/28/813617928.db2.gz AZZXGKMPDOOYPU-FPCVCCKLSA-N 2 1 330.432 -0.541 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001266599190 813617932 /nfs/dbraw/zinc/61/79/32/813617932.db2.gz AZZXGKMPDOOYPU-FPCVCCKLSA-N 2 1 330.432 -0.541 20 30 EBEDMP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266897280 813694929 /nfs/dbraw/zinc/69/49/29/813694929.db2.gz MFCJVLQOPKZZMV-GJZGRUSLSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266897280 813694934 /nfs/dbraw/zinc/69/49/34/813694934.db2.gz MFCJVLQOPKZZMV-GJZGRUSLSA-N 2 1 335.452 -0.061 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001266901816 813695937 /nfs/dbraw/zinc/69/59/37/813695937.db2.gz AGSARVPFMYWHCB-LFRCEIEQSA-N 2 1 344.459 -0.201 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001266901816 813695945 /nfs/dbraw/zinc/69/59/45/813695945.db2.gz AGSARVPFMYWHCB-LFRCEIEQSA-N 2 1 344.459 -0.201 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001266901816 813695950 /nfs/dbraw/zinc/69/59/50/813695950.db2.gz AGSARVPFMYWHCB-LFRCEIEQSA-N 2 1 344.459 -0.201 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001266901816 813695955 /nfs/dbraw/zinc/69/59/55/813695955.db2.gz AGSARVPFMYWHCB-LFRCEIEQSA-N 2 1 344.459 -0.201 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001267042367 813744280 /nfs/dbraw/zinc/74/42/80/813744280.db2.gz YWSIYJCGQYKXFO-QLFBSQMISA-N 2 1 335.452 -0.205 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)C[C@H](O)COC)C1 ZINC001267584988 813942629 /nfs/dbraw/zinc/94/26/29/813942629.db2.gz MCKVMFVUDZYHTA-IKGGRYGDSA-N 2 1 337.464 -0.128 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)C[C@H](O)COC)C1 ZINC001267584988 813942634 /nfs/dbraw/zinc/94/26/34/813942634.db2.gz MCKVMFVUDZYHTA-IKGGRYGDSA-N 2 1 337.464 -0.128 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)C[C@H](O)COC)C1 ZINC001267584988 813942642 /nfs/dbraw/zinc/94/26/42/813942642.db2.gz MCKVMFVUDZYHTA-IKGGRYGDSA-N 2 1 337.464 -0.128 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)C[C@H](O)COC)C1 ZINC001267584988 813942647 /nfs/dbraw/zinc/94/26/47/813942647.db2.gz MCKVMFVUDZYHTA-IKGGRYGDSA-N 2 1 337.464 -0.128 20 30 EBEDMP CC(C)[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C1)[NH+](C)C ZINC001267593304 813944160 /nfs/dbraw/zinc/94/41/60/813944160.db2.gz HWBUDLCFFKGOCY-GDBMZVCRSA-N 2 1 337.468 -0.007 20 30 EBEDMP C#CCNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001267589277 813944294 /nfs/dbraw/zinc/94/42/94/813944294.db2.gz IMVHLFHOFBVRGY-CVEARBPZSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267589277 813944302 /nfs/dbraw/zinc/94/43/02/813944302.db2.gz IMVHLFHOFBVRGY-CVEARBPZSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267589277 813944306 /nfs/dbraw/zinc/94/43/06/813944306.db2.gz IMVHLFHOFBVRGY-CVEARBPZSA-N 2 1 334.464 -0.142 20 30 EBEDMP COCC#CC[NH+]1CC(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001267694564 813990371 /nfs/dbraw/zinc/99/03/71/813990371.db2.gz OWVHRKQENWBAFW-UHFFFAOYSA-N 2 1 333.436 -0.244 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCN1CCNC1=O ZINC001268069282 814115648 /nfs/dbraw/zinc/11/56/48/814115648.db2.gz VMIRHIUCTOKCSL-CABCVRRESA-N 2 1 335.452 -0.454 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCN1CCNC1=O ZINC001268069282 814115652 /nfs/dbraw/zinc/11/56/52/814115652.db2.gz VMIRHIUCTOKCSL-CABCVRRESA-N 2 1 335.452 -0.454 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001268399691 814232752 /nfs/dbraw/zinc/23/27/52/814232752.db2.gz JEYFQSTVVLFILA-ZFWWWQNUSA-N 2 1 345.447 -0.012 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCCN1C(=O)CNC1=O ZINC001268690015 814353772 /nfs/dbraw/zinc/35/37/72/814353772.db2.gz HHFTXJZJNCHOLZ-KBPBESRZSA-N 2 1 349.435 -0.880 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCCN1C(=O)CNC1=O ZINC001268690015 814353779 /nfs/dbraw/zinc/35/37/79/814353779.db2.gz HHFTXJZJNCHOLZ-KBPBESRZSA-N 2 1 349.435 -0.880 20 30 EBEDMP C[N@H+]1CC[C@H](CC(=O)N[C@](C)(C[NH2+]CC(=O)NCC#N)C2CC2)C1 ZINC001269644441 814754569 /nfs/dbraw/zinc/75/45/69/814754569.db2.gz FUZVERWYEALIMZ-CXAGYDPISA-N 2 1 335.452 -0.158 20 30 EBEDMP C[N@H+]1CC[C@H](CC(=O)NCC2([NH2+]CC(=O)NCC#N)CCCC2)C1 ZINC001270812066 815900914 /nfs/dbraw/zinc/90/09/14/815900914.db2.gz KFSMMPYEASGYON-CQSZACIVSA-N 2 1 335.452 -0.013 20 30 EBEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H](C)CN2CCOCC2)C1 ZINC001271996401 816285764 /nfs/dbraw/zinc/28/57/64/816285764.db2.gz LWGSDDLGOUILPL-WMZOPIPTSA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001271996401 816285767 /nfs/dbraw/zinc/28/57/67/816285767.db2.gz LWGSDDLGOUILPL-WMZOPIPTSA-N 2 1 337.464 -0.079 20 30 EBEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CCN2CC(=O)NCC#N ZINC001272015662 816290869 /nfs/dbraw/zinc/29/08/69/816290869.db2.gz KKRGTXADSYXXSQ-SOUVJXGZSA-N 2 1 333.436 -0.214 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001086390200 816316416 /nfs/dbraw/zinc/31/64/16/816316416.db2.gz GSJSVFGLBMJEMK-TUVASFSCSA-N 2 1 346.431 -0.626 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001086390200 816316419 /nfs/dbraw/zinc/31/64/19/816316419.db2.gz GSJSVFGLBMJEMK-TUVASFSCSA-N 2 1 346.431 -0.626 20 30 EBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1c1cnn(C)c1 ZINC001087010233 816444918 /nfs/dbraw/zinc/44/49/18/816444918.db2.gz RJSFQNIPEWAPOL-GVDBMIGSSA-N 2 1 345.447 -0.342 20 30 EBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cnn(C)c1 ZINC001087010233 816444921 /nfs/dbraw/zinc/44/49/21/816444921.db2.gz RJSFQNIPEWAPOL-GVDBMIGSSA-N 2 1 345.447 -0.342 20 30 EBEDMP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NCC#N)CC3)C1 ZINC001272825870 816531823 /nfs/dbraw/zinc/53/18/23/816531823.db2.gz KJXFKFLLQAHLNH-CQSZACIVSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NCC#N)CC3)C1 ZINC001272825870 816531830 /nfs/dbraw/zinc/53/18/30/816531830.db2.gz KJXFKFLLQAHLNH-CQSZACIVSA-N 2 1 333.436 -0.498 20 30 EBEDMP C=CCN1CC[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001273930258 816811612 /nfs/dbraw/zinc/81/16/12/816811612.db2.gz WTOOREQRTXJZQA-VQGNRHNMSA-N 2 1 336.436 -0.634 20 30 EBEDMP C=CCN1CC[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001273930258 816811618 /nfs/dbraw/zinc/81/16/18/816811618.db2.gz WTOOREQRTXJZQA-VQGNRHNMSA-N 2 1 336.436 -0.634 20 30 EBEDMP C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)CC[NH+]2CCOCC2)C1=O ZINC001275369196 817203316 /nfs/dbraw/zinc/20/33/16/817203316.db2.gz SWVFMJFOSKUBQF-LSDHHAIUSA-N 2 1 338.452 -0.410 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)[C@@H]2CCC(=O)NC2=O)CC1 ZINC001275729732 817284433 /nfs/dbraw/zinc/28/44/33/817284433.db2.gz OQFLHSZJXSWFSI-DZGCQCFKSA-N 2 1 348.447 -0.427 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1CCCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001276886744 817488760 /nfs/dbraw/zinc/48/87/60/817488760.db2.gz NYOSCHZBEHLDQI-UHFFFAOYSA-N 2 1 345.447 -0.354 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CCCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001276886744 817488765 /nfs/dbraw/zinc/48/87/65/817488765.db2.gz NYOSCHZBEHLDQI-UHFFFAOYSA-N 2 1 345.447 -0.354 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001277873614 817650251 /nfs/dbraw/zinc/65/02/51/817650251.db2.gz HTFNTIXTUXONAD-GJZGRUSLSA-N 2 1 331.420 -0.696 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001277873614 817650256 /nfs/dbraw/zinc/65/02/56/817650256.db2.gz HTFNTIXTUXONAD-GJZGRUSLSA-N 2 1 331.420 -0.696 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001278820834 817850150 /nfs/dbraw/zinc/85/01/50/817850150.db2.gz GKJQEEWFLNYYEL-PBHICJAKSA-N 2 1 338.452 -0.981 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@](O)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001278820834 817850156 /nfs/dbraw/zinc/85/01/56/817850156.db2.gz GKJQEEWFLNYYEL-PBHICJAKSA-N 2 1 338.452 -0.981 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)CCC)C1 ZINC001278820834 817850161 /nfs/dbraw/zinc/85/01/61/817850161.db2.gz GKJQEEWFLNYYEL-PBHICJAKSA-N 2 1 338.452 -0.981 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)CCC)C1 ZINC001278820834 817850168 /nfs/dbraw/zinc/85/01/68/817850168.db2.gz GKJQEEWFLNYYEL-PBHICJAKSA-N 2 1 338.452 -0.981 20 30 EBEDMP COCC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001278823003 817851673 /nfs/dbraw/zinc/85/16/73/817851673.db2.gz VYLVPQHTNVIWJV-WBVHZDCISA-N 2 1 325.453 -0.225 20 30 EBEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC#CCOC ZINC001278840700 817859137 /nfs/dbraw/zinc/85/91/37/817859137.db2.gz ZGAVYHJJZDQJSR-HZPDHXFCSA-N 2 1 325.453 -0.081 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001281193016 818072166 /nfs/dbraw/zinc/07/21/66/818072166.db2.gz PPGZRPHMVKKWJT-QGZVFWFLSA-N 2 1 338.452 -0.981 20 30 EBEDMP C=CCNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001281820467 818286321 /nfs/dbraw/zinc/28/63/21/818286321.db2.gz FTDDIXHGJUMLEK-CQSZACIVSA-N 2 1 338.452 -0.817 20 30 EBEDMP C=CCNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001281820467 818286323 /nfs/dbraw/zinc/28/63/23/818286323.db2.gz FTDDIXHGJUMLEK-CQSZACIVSA-N 2 1 338.452 -0.817 20 30 EBEDMP C[NH+](C)CCC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC(=O)NCC#N ZINC001281912145 818314989 /nfs/dbraw/zinc/31/49/89/818314989.db2.gz FBNAWDUAFKKTEU-CRAIPNDOSA-N 2 1 343.431 -0.050 20 30 EBEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC(=O)NCC#N)C1 ZINC001282014992 818332405 /nfs/dbraw/zinc/33/24/05/818332405.db2.gz SBTZEUSGHOIVGJ-NRXISQOPSA-N 2 1 335.452 -0.015 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001282914523 818527599 /nfs/dbraw/zinc/52/75/99/818527599.db2.gz VSYUWYOKZUNAOV-GJZGRUSLSA-N 2 1 349.435 -0.301 20 30 EBEDMP C#CC[N@H+](CCO)C1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001098498069 819218056 /nfs/dbraw/zinc/21/80/56/819218056.db2.gz HGHCTPBKEDJEKF-UHFFFAOYSA-N 2 1 347.463 -0.023 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001284436227 819232028 /nfs/dbraw/zinc/23/20/28/819232028.db2.gz QVVIPYQUOXHWPD-KGLIPLIRSA-N 2 1 326.441 -0.818 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/CNC(=O)C[NH+]1CCCC1 ZINC001285558199 819661936 /nfs/dbraw/zinc/66/19/36/819661936.db2.gz PBVVFIKOEILCBJ-CWDCEQMOSA-N 2 1 332.448 -0.032 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/CNC(=O)C[NH+]1CCCC1 ZINC001285558199 819661940 /nfs/dbraw/zinc/66/19/40/819661940.db2.gz PBVVFIKOEILCBJ-CWDCEQMOSA-N 2 1 332.448 -0.032 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCOC)C[C@@H]2O)CC1 ZINC001100121626 820251558 /nfs/dbraw/zinc/25/15/58/820251558.db2.gz DOELDXBAQFDHFH-IRXDYDNUSA-N 2 1 337.464 -0.081 20 30 EBEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001101037157 820661851 /nfs/dbraw/zinc/66/18/51/820661851.db2.gz BKBKGGGDVSADCB-NRXISQOPSA-N 2 1 335.452 -0.015 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101171770 820709040 /nfs/dbraw/zinc/70/90/40/820709040.db2.gz KXBJKUUWDRTWRG-VKJFTORMSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171770 820709047 /nfs/dbraw/zinc/70/90/47/820709047.db2.gz KXBJKUUWDRTWRG-VKJFTORMSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171770 820709052 /nfs/dbraw/zinc/70/90/52/820709052.db2.gz KXBJKUUWDRTWRG-VKJFTORMSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431472 820788373 /nfs/dbraw/zinc/78/83/73/820788373.db2.gz PNVJNXDUMDFKJR-QAPCUYQASA-N 2 1 344.459 -0.388 20 30 EBEDMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001102370153 821081241 /nfs/dbraw/zinc/08/12/41/821081241.db2.gz SIKSMBKRBMVEDD-RBSFLKMASA-N 2 1 335.452 -0.348 20 30 EBEDMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001102370153 821081248 /nfs/dbraw/zinc/08/12/48/821081248.db2.gz SIKSMBKRBMVEDD-RBSFLKMASA-N 2 1 335.452 -0.348 20 30 EBEDMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001102370153 821081257 /nfs/dbraw/zinc/08/12/57/821081257.db2.gz SIKSMBKRBMVEDD-RBSFLKMASA-N 2 1 335.452 -0.348 20 30 EBEDMP CC[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CC(=O)NCC#N)CC2)[NH+](C)C ZINC001317001993 821970480 /nfs/dbraw/zinc/97/04/80/821970480.db2.gz PCLMDYBWFIAWHF-UONOGXRCSA-N 2 1 335.452 -0.063 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001317067670 821993372 /nfs/dbraw/zinc/99/33/72/821993372.db2.gz XMQKYHDEYOQNHK-ZDUSSCGKSA-N 2 1 339.440 -0.470 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001317395969 822099199 /nfs/dbraw/zinc/09/91/99/822099199.db2.gz LRHRBJMXUKETBM-KGLIPLIRSA-N 2 1 349.435 -0.880 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001317395969 822099206 /nfs/dbraw/zinc/09/92/06/822099206.db2.gz LRHRBJMXUKETBM-KGLIPLIRSA-N 2 1 349.435 -0.880 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCC)[C@@H]1CCC(=O)NC1=O ZINC001317540055 822151325 /nfs/dbraw/zinc/15/13/25/822151325.db2.gz BTXDSVIPEOQNPJ-LSDHHAIUSA-N 2 1 348.447 -0.283 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCC)[C@@H]1CCC(=O)NC1=O ZINC001317540055 822151328 /nfs/dbraw/zinc/15/13/28/822151328.db2.gz BTXDSVIPEOQNPJ-LSDHHAIUSA-N 2 1 348.447 -0.283 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)[C@@H]1CCC(=O)NC1=O ZINC001317540055 822151333 /nfs/dbraw/zinc/15/13/33/822151333.db2.gz BTXDSVIPEOQNPJ-LSDHHAIUSA-N 2 1 348.447 -0.283 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)[C@@H]1CCC(=O)NC1=O ZINC001317540055 822151336 /nfs/dbraw/zinc/15/13/36/822151336.db2.gz BTXDSVIPEOQNPJ-LSDHHAIUSA-N 2 1 348.447 -0.283 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317627658 822184079 /nfs/dbraw/zinc/18/40/79/822184079.db2.gz VUVJWRHDBPWXAH-CYBMUJFWSA-N 2 1 339.440 -0.612 20 30 EBEDMP C#CC[NH+]1CCN(CCN(C)C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001317819084 822217792 /nfs/dbraw/zinc/21/77/92/822217792.db2.gz PLUVSDRYFVHZPG-UHFFFAOYSA-N 2 1 346.479 -0.233 20 30 EBEDMP CC[C@@H](CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)[NH2+]CC(=O)NCC#N ZINC001318568727 822336963 /nfs/dbraw/zinc/33/69/63/822336963.db2.gz CFHQXXVCDXIBCG-KGLIPLIRSA-N 2 1 346.435 -0.122 20 30 EBEDMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106881410 822348272 /nfs/dbraw/zinc/34/82/72/822348272.db2.gz DVGMDOWKZKYFTH-RBSFLKMASA-N 2 1 335.452 -0.348 20 30 EBEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433676 828618247 /nfs/dbraw/zinc/61/82/47/828618247.db2.gz LOBBOARJRUOQJS-OAGGEKHMSA-N 2 1 348.451 -0.226 20 30 EBEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433676 828618255 /nfs/dbraw/zinc/61/82/55/828618255.db2.gz LOBBOARJRUOQJS-OAGGEKHMSA-N 2 1 348.451 -0.226 20 30 EBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433676 828618260 /nfs/dbraw/zinc/61/82/60/828618260.db2.gz LOBBOARJRUOQJS-OAGGEKHMSA-N 2 1 348.451 -0.226 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(C)C[N@H+](C[C@@H](C)O)CCO2)CC1 ZINC001108419429 824276670 /nfs/dbraw/zinc/27/66/70/824276670.db2.gz LBKWOSCWTLHCMD-QAPCUYQASA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(C)C[N@@H+](C[C@@H](C)O)CCO2)CC1 ZINC001108419429 824276678 /nfs/dbraw/zinc/27/66/78/824276678.db2.gz LBKWOSCWTLHCMD-QAPCUYQASA-N 2 1 337.464 -0.081 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129855598 828681278 /nfs/dbraw/zinc/68/12/78/828681278.db2.gz HKXCEFDEPIJFCV-CYBMUJFWSA-N 2 1 339.440 -0.422 20 30 EBEDMP CC#CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1n1ccnn1 ZINC001129932444 828696407 /nfs/dbraw/zinc/69/64/07/828696407.db2.gz YQDAOONNPFGVSU-CABCVRRESA-N 2 1 327.392 -0.152 20 30 EBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086238 828729776 /nfs/dbraw/zinc/72/97/76/828729776.db2.gz RAUVJZLBZWELHW-OAGGEKHMSA-N 2 1 330.436 -0.015 20 30 EBEDMP C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NCC#N)C3)C1 ZINC001111983666 825369020 /nfs/dbraw/zinc/36/90/20/825369020.db2.gz ODNZGUYAYUAQPJ-ZQIUZPCESA-N 2 1 333.436 -0.451 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NCC#N)C3)C1 ZINC001111983666 825369025 /nfs/dbraw/zinc/36/90/25/825369025.db2.gz ODNZGUYAYUAQPJ-ZQIUZPCESA-N 2 1 333.436 -0.451 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NCC#N)C3)C1 ZINC001111983666 825369034 /nfs/dbraw/zinc/36/90/34/825369034.db2.gz ODNZGUYAYUAQPJ-ZQIUZPCESA-N 2 1 333.436 -0.451 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NCC#N)C3)C1 ZINC001111983666 825369037 /nfs/dbraw/zinc/36/90/37/825369037.db2.gz ODNZGUYAYUAQPJ-ZQIUZPCESA-N 2 1 333.436 -0.451 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130305813 828778394 /nfs/dbraw/zinc/77/83/94/828778394.db2.gz LUQSBPGIUJMEHM-OLZOCXBDSA-N 2 1 339.440 -0.423 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001114403177 826235796 /nfs/dbraw/zinc/23/57/96/826235796.db2.gz ODCGJXSSBUZAIF-CBZIJGRNSA-N 2 1 346.475 -0.240 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001114403177 826235800 /nfs/dbraw/zinc/23/58/00/826235800.db2.gz ODCGJXSSBUZAIF-CBZIJGRNSA-N 2 1 346.475 -0.240 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001114403177 826235804 /nfs/dbraw/zinc/23/58/04/826235804.db2.gz ODCGJXSSBUZAIF-CBZIJGRNSA-N 2 1 346.475 -0.240 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001114403177 826235805 /nfs/dbraw/zinc/23/58/05/826235805.db2.gz ODCGJXSSBUZAIF-CBZIJGRNSA-N 2 1 346.475 -0.240 20 30 EBEDMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001114501745 826267099 /nfs/dbraw/zinc/26/70/99/826267099.db2.gz HPLYJQXLPJLKNU-QSJFSLAZSA-N 2 1 347.463 -0.207 20 30 EBEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001114501745 826267105 /nfs/dbraw/zinc/26/71/05/826267105.db2.gz HPLYJQXLPJLKNU-QSJFSLAZSA-N 2 1 347.463 -0.207 20 30 EBEDMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114501745 826267110 /nfs/dbraw/zinc/26/71/10/826267110.db2.gz HPLYJQXLPJLKNU-QSJFSLAZSA-N 2 1 347.463 -0.207 20 30 EBEDMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114501745 826267114 /nfs/dbraw/zinc/26/71/14/826267114.db2.gz HPLYJQXLPJLKNU-QSJFSLAZSA-N 2 1 347.463 -0.207 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001114732754 826327000 /nfs/dbraw/zinc/32/70/00/826327000.db2.gz NQLQPWMVWFOWTJ-NBFUAULTSA-N 2 1 332.448 -0.488 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001114732754 826327007 /nfs/dbraw/zinc/32/70/07/826327007.db2.gz NQLQPWMVWFOWTJ-NBFUAULTSA-N 2 1 332.448 -0.488 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001114732754 826327011 /nfs/dbraw/zinc/32/70/11/826327011.db2.gz NQLQPWMVWFOWTJ-NBFUAULTSA-N 2 1 332.448 -0.488 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001114732754 826327016 /nfs/dbraw/zinc/32/70/16/826327016.db2.gz NQLQPWMVWFOWTJ-NBFUAULTSA-N 2 1 332.448 -0.488 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001180136335 833045777 /nfs/dbraw/zinc/04/57/77/833045777.db2.gz YKAYIDDHEYBNMQ-YDHLFZDLSA-N 2 1 331.420 -0.092 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001180182447 833052721 /nfs/dbraw/zinc/05/27/21/833052721.db2.gz CKUATRRPEPQHJY-KKUMJFAQSA-N 2 1 338.452 -0.412 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001180182447 833052730 /nfs/dbraw/zinc/05/27/30/833052730.db2.gz CKUATRRPEPQHJY-KKUMJFAQSA-N 2 1 338.452 -0.412 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001115298558 826500907 /nfs/dbraw/zinc/50/09/07/826500907.db2.gz SFDJCIGGHMHSAT-HWWDLCQESA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001115298558 826500912 /nfs/dbraw/zinc/50/09/12/826500912.db2.gz SFDJCIGGHMHSAT-HWWDLCQESA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001180899406 833121007 /nfs/dbraw/zinc/12/10/07/833121007.db2.gz LNZXZYUJQAFNMX-RVKKMQEKSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC)C1 ZINC001181763701 833179290 /nfs/dbraw/zinc/17/92/90/833179290.db2.gz HLXJGTWVCPYPAE-RVKKMQEKSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC)C1 ZINC001181763701 833179293 /nfs/dbraw/zinc/17/92/93/833179293.db2.gz HLXJGTWVCPYPAE-RVKKMQEKSA-N 2 1 334.464 -0.096 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124867045 827969438 /nfs/dbraw/zinc/96/94/38/827969438.db2.gz QSARTVJVSWTRQP-NEPJUHHUSA-N 2 1 325.413 -0.813 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001183240558 833284579 /nfs/dbraw/zinc/28/45/79/833284579.db2.gz KJFBBYLTTHKZSG-HZPDHXFCSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001185137005 833347673 /nfs/dbraw/zinc/34/76/73/833347673.db2.gz PFCGPQVUTJHVBZ-CABCVRRESA-N 2 1 336.436 -0.965 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001185137005 833347676 /nfs/dbraw/zinc/34/76/76/833347676.db2.gz PFCGPQVUTJHVBZ-CABCVRRESA-N 2 1 336.436 -0.965 20 30 EBEDMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)CC2 ZINC001185214264 833350058 /nfs/dbraw/zinc/35/00/58/833350058.db2.gz SGXWUQITWHJHDY-ZIAGYGMSSA-N 2 1 344.419 -0.416 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001186362621 833398676 /nfs/dbraw/zinc/39/86/76/833398676.db2.gz NAEIIGIQGCRXLQ-OAHLLOKOSA-N 2 1 331.420 -0.088 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133833970 829681109 /nfs/dbraw/zinc/68/11/09/829681109.db2.gz KWISKDULUSBGLW-OLZOCXBDSA-N 2 1 339.440 -0.423 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001133890332 829694488 /nfs/dbraw/zinc/69/44/88/829694488.db2.gz PDXKJJNBCLMLMB-CYBMUJFWSA-N 2 1 347.419 -0.272 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001148611920 830517618 /nfs/dbraw/zinc/51/76/18/830517618.db2.gz RWCPOFSPDILNFY-OAHLLOKOSA-N 2 1 344.459 -0.246 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CCOCCO)C3)CC1 ZINC001148827537 830545082 /nfs/dbraw/zinc/54/50/82/830545082.db2.gz FLWQNVILDVFMRI-UHFFFAOYSA-N 2 1 349.475 -0.125 20 30 EBEDMP C=CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156383226 831472747 /nfs/dbraw/zinc/47/27/47/831472747.db2.gz IQDMJAOAWXPSNZ-CQSZACIVSA-N 2 1 328.457 -0.307 20 30 EBEDMP C=CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156383226 831472750 /nfs/dbraw/zinc/47/27/50/831472750.db2.gz IQDMJAOAWXPSNZ-CQSZACIVSA-N 2 1 328.457 -0.307 20 30 EBEDMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C2 ZINC001166699733 832281694 /nfs/dbraw/zinc/28/16/94/832281694.db2.gz SZXXSKFLPCYZJV-CYBMUJFWSA-N 2 1 332.408 -0.510 20 30 EBEDMP C[C@@H]1CC[N@@H+](CC(=O)NCCC2(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001167232920 832319559 /nfs/dbraw/zinc/31/95/59/832319559.db2.gz UQGPULYCZFQWGY-CQSZACIVSA-N 2 1 335.452 -0.156 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001168145936 832399046 /nfs/dbraw/zinc/39/90/46/832399046.db2.gz BPRRFBPYOXNKMC-CABCVRRESA-N 2 1 334.464 -0.048 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)NCC#N ZINC001178719038 832905087 /nfs/dbraw/zinc/90/50/87/832905087.db2.gz DRPCQSMMSHHFFS-INIZCTEOSA-N 2 1 347.463 -0.010 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)NCC#N ZINC001178719038 832905090 /nfs/dbraw/zinc/90/50/90/832905090.db2.gz DRPCQSMMSHHFFS-INIZCTEOSA-N 2 1 347.463 -0.010 20 30 EBEDMP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001178890540 832927135 /nfs/dbraw/zinc/92/71/35/832927135.db2.gz HXDYHQKJLDMILE-IHRRRGAJSA-N 2 1 344.419 -0.021 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001179150473 832956837 /nfs/dbraw/zinc/95/68/37/832956837.db2.gz PHUAYVNOHDWFLX-ILXRZTDVSA-N 2 1 331.420 -0.092 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188969753 834112205 /nfs/dbraw/zinc/11/22/05/834112205.db2.gz ATPUMTNNFLLCJM-OWCLPIDISA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188969753 834112206 /nfs/dbraw/zinc/11/22/06/834112206.db2.gz ATPUMTNNFLLCJM-OWCLPIDISA-N 2 1 346.475 -0.001 20 30 EBEDMP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190643461 834308750 /nfs/dbraw/zinc/30/87/50/834308750.db2.gz BXUGJQGOMBZHOD-DLBZAZTESA-N 2 1 347.463 -0.004 20 30 EBEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190643461 834308756 /nfs/dbraw/zinc/30/87/56/834308756.db2.gz BXUGJQGOMBZHOD-DLBZAZTESA-N 2 1 347.463 -0.004 20 30 EBEDMP C[N@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192679876 834714430 /nfs/dbraw/zinc/71/44/30/834714430.db2.gz HINRHVXTKUEZEQ-HNNXBMFYSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[N@@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192679876 834714435 /nfs/dbraw/zinc/71/44/35/834714435.db2.gz HINRHVXTKUEZEQ-HNNXBMFYSA-N 2 1 335.452 -0.109 20 30 EBEDMP C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001193695091 834928005 /nfs/dbraw/zinc/92/80/05/834928005.db2.gz GAFBTTUJYKDYRU-ZIAGYGMSSA-N 2 1 331.420 -0.069 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)N(C)C)C2)CC1 ZINC001194246944 835059378 /nfs/dbraw/zinc/05/93/78/835059378.db2.gz UJTAMXDKGDCVKV-INIZCTEOSA-N 2 1 334.464 -0.048 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CC(=O)N(C)C)C2)CC1 ZINC001194246944 835059392 /nfs/dbraw/zinc/05/93/92/835059392.db2.gz UJTAMXDKGDCVKV-INIZCTEOSA-N 2 1 334.464 -0.048 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001199943690 835882176 /nfs/dbraw/zinc/88/21/76/835882176.db2.gz OYDSCXORYOHTTM-HIFRSBDPSA-N 2 1 336.436 -0.965 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943690 835882185 /nfs/dbraw/zinc/88/21/85/835882185.db2.gz OYDSCXORYOHTTM-HIFRSBDPSA-N 2 1 336.436 -0.965 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001199943804 835883312 /nfs/dbraw/zinc/88/33/12/835883312.db2.gz QVUFPIYZIDLZQR-HIFRSBDPSA-N 2 1 338.452 -0.412 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943804 835883315 /nfs/dbraw/zinc/88/33/15/835883315.db2.gz QVUFPIYZIDLZQR-HIFRSBDPSA-N 2 1 338.452 -0.412 20 30 EBEDMP C=CCOCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200182342 835926256 /nfs/dbraw/zinc/92/62/56/835926256.db2.gz QECHSDVCFDOZDD-HOTGVXAUSA-N 2 1 341.452 -0.273 20 30 EBEDMP C=CCOCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200182342 835926262 /nfs/dbraw/zinc/92/62/62/835926262.db2.gz QECHSDVCFDOZDD-HOTGVXAUSA-N 2 1 341.452 -0.273 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001200657766 836010038 /nfs/dbraw/zinc/01/00/38/836010038.db2.gz AVCJSLHKBQDZEE-CVEARBPZSA-N 2 1 348.447 -0.820 20 30 EBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CCCO1 ZINC001201034845 836082930 /nfs/dbraw/zinc/08/29/30/836082930.db2.gz YEXIZNGEYDLTSN-NDUQDZPOSA-N 2 1 333.432 -0.310 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001202067884 836247778 /nfs/dbraw/zinc/24/77/78/836247778.db2.gz GIKNXEAWFIFRIE-AWEZNQCLSA-N 2 1 348.407 -0.962 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001206979339 836740606 /nfs/dbraw/zinc/74/06/06/836740606.db2.gz QVPPIPISTUXULF-FVQBIDKESA-N 2 1 332.448 -0.486 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001206979339 836740612 /nfs/dbraw/zinc/74/06/12/836740612.db2.gz QVPPIPISTUXULF-FVQBIDKESA-N 2 1 332.448 -0.486 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001206993068 836743119 /nfs/dbraw/zinc/74/31/19/836743119.db2.gz QGAZPSXJAZGVOS-QKPAOTATSA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001206993068 836743135 /nfs/dbraw/zinc/74/31/35/836743135.db2.gz QGAZPSXJAZGVOS-QKPAOTATSA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001206993068 836743147 /nfs/dbraw/zinc/74/31/47/836743147.db2.gz QGAZPSXJAZGVOS-QKPAOTATSA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001206993068 836743157 /nfs/dbraw/zinc/74/31/57/836743157.db2.gz QGAZPSXJAZGVOS-QKPAOTATSA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCn1nc(C)nc1C ZINC001320234721 838720451 /nfs/dbraw/zinc/72/04/51/838720451.db2.gz MIHFYSKZLHTQRJ-CVEARBPZSA-N 2 1 348.451 -0.941 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCn1nc(C)nc1C ZINC001320234721 838720456 /nfs/dbraw/zinc/72/04/56/838720456.db2.gz MIHFYSKZLHTQRJ-CVEARBPZSA-N 2 1 348.451 -0.941 20 30 EBEDMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC#CCOC)C1 ZINC001320261914 838734024 /nfs/dbraw/zinc/73/40/24/838734024.db2.gz FSCNYGOOHDJXKT-CVEARBPZSA-N 2 1 325.453 -0.175 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCCS(C)(=O)=O ZINC001321543067 839014826 /nfs/dbraw/zinc/01/48/26/839014826.db2.gz DOECTICUXBZCMT-KGLIPLIRSA-N 2 1 329.466 -0.387 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCCS(C)(=O)=O ZINC001321543067 839014831 /nfs/dbraw/zinc/01/48/31/839014831.db2.gz DOECTICUXBZCMT-KGLIPLIRSA-N 2 1 329.466 -0.387 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCN1CCNC1=O)C1CC1 ZINC001323014430 839323885 /nfs/dbraw/zinc/32/38/85/839323885.db2.gz JRDWPXUWYYWSHI-CVEARBPZSA-N 2 1 347.463 -0.406 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCN1CCNC1=O)C1CC1 ZINC001323014430 839323896 /nfs/dbraw/zinc/32/38/96/839323896.db2.gz JRDWPXUWYYWSHI-CVEARBPZSA-N 2 1 347.463 -0.406 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001326725939 840186470 /nfs/dbraw/zinc/18/64/70/840186470.db2.gz RBTVOWANENODGL-OAHLLOKOSA-N 2 1 331.420 -0.088 20 30 EBEDMP C=CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001328217169 840624281 /nfs/dbraw/zinc/62/42/81/840624281.db2.gz CLKGNZAMVUDFRG-UHFFFAOYSA-N 2 1 349.435 -0.563 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001331755983 841484478 /nfs/dbraw/zinc/48/44/78/841484478.db2.gz FXNZXNCYKXKVTL-UONOGXRCSA-N 2 1 338.452 -0.935 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001332529897 841662090 /nfs/dbraw/zinc/66/20/90/841662090.db2.gz QVVIPYQUOXHWPD-ZIAGYGMSSA-N 2 1 326.441 -0.818 20 30 EBEDMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001691263487 1125846495 /nfs/dbraw/zinc/84/64/95/1125846495.db2.gz TVGLOHGMQSYSMC-SOUVJXGZSA-N 2 1 335.452 -0.158 20 30 EBEDMP CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001481319807 1125973626 /nfs/dbraw/zinc/97/36/26/1125973626.db2.gz OREMNDMAVBTWCT-MRXNPFEDSA-N 2 1 331.420 -0.023 20 30 EBEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N)C2 ZINC001482331613 1126133163 /nfs/dbraw/zinc/13/31/63/1126133163.db2.gz RZRAFVZFRXCWFS-OCCSQVGLSA-N 2 1 346.435 -0.170 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001482762042 1126280321 /nfs/dbraw/zinc/28/03/21/1126280321.db2.gz IXOKGRGRDAJQEK-DZGCQCFKSA-N 2 1 349.435 -0.877 20 30 EBEDMP C=CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cn2cc[nH+]c2C)C1=O ZINC001482793489 1126292599 /nfs/dbraw/zinc/29/25/99/1126292599.db2.gz PYSYAYSEESVKCS-ZIAGYGMSSA-N 2 1 335.408 -0.955 20 30 EBEDMP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)CC2 ZINC001484581410 1126604516 /nfs/dbraw/zinc/60/45/16/1126604516.db2.gz FFJPXBHLYIYHFZ-UHFFFAOYSA-N 2 1 335.452 -0.109 20 30 EBEDMP CC(C)[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)CC2 ZINC001484581410 1126604517 /nfs/dbraw/zinc/60/45/17/1126604517.db2.gz FFJPXBHLYIYHFZ-UHFFFAOYSA-N 2 1 335.452 -0.109 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001484963149 1126656771 /nfs/dbraw/zinc/65/67/71/1126656771.db2.gz MVEKUQLFUKMHMW-UHFFFAOYSA-N 2 1 338.452 -0.979 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1c[nH+]cc1C ZINC001485816676 1126849459 /nfs/dbraw/zinc/84/94/59/1126849459.db2.gz JDMMYZCNUGMHFA-OAHLLOKOSA-N 2 1 331.420 -0.232 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)N2CCC3(C2)CC[NH+](CC(=O)NCC#N)CC3)C1 ZINC001671059683 1127287703 /nfs/dbraw/zinc/28/77/03/1127287703.db2.gz OOWCBXPJEXWANJ-HNNXBMFYSA-N 2 1 347.463 -0.108 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCOCCO)C1 ZINC001491153959 1130344199 /nfs/dbraw/zinc/34/41/99/1130344199.db2.gz OOFBUSDEKDCRFZ-SJORKVTESA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCOCCO)C1 ZINC001491153959 1130344205 /nfs/dbraw/zinc/34/42/05/1130344205.db2.gz OOFBUSDEKDCRFZ-SJORKVTESA-N 2 1 337.464 -0.079 20 30 EBEDMP N#Cc1cccc(C[NH2+]C[C@H](O)CNC(=O)CC[NH+]2CCOCC2)c1 ZINC001367645730 1133728374 /nfs/dbraw/zinc/72/83/74/1133728374.db2.gz BRQBOGRRHZZTPG-KRWDZBQOSA-N 2 1 346.431 -0.153 20 30 EBEDMP COC[C@]1(CO)CC[NH+](CC#CC[N@@H+]2CC[C@@](CO)(COC)C2)C1 ZINC000625461845 376230135 /nfs/dbraw/zinc/23/01/35/376230135.db2.gz OBDSUBNTQDHTOX-QZTJIDSGSA-N 2 1 340.464 -0.349 20 30 EBEDMP COC[C@@]1(CO)CC[NH+](CC#CC[N@@H+]2CC[C@](CO)(COC)C2)C1 ZINC000625461846 376230745 /nfs/dbraw/zinc/23/07/45/376230745.db2.gz OBDSUBNTQDHTOX-ROUUACIJSA-N 2 1 340.464 -0.349 20 30 EBEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCn1cc([N+](=O)[O-])cn1 ZINC000128573854 376878792 /nfs/dbraw/zinc/87/87/92/376878792.db2.gz JWXAMWFYBWKZQW-UHFFFAOYSA-N 2 1 325.373 -0.582 20 30 EBEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261650102 379221076 /nfs/dbraw/zinc/22/10/76/379221076.db2.gz FBFJEPWZGWBSHG-AWEZNQCLSA-N 2 1 347.467 -0.014 20 30 EBEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000329631480 381615291 /nfs/dbraw/zinc/61/52/91/381615291.db2.gz VXMKBGPVMGXZGV-HOTGVXAUSA-N 2 1 339.484 -0.057 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430632172 382023938 /nfs/dbraw/zinc/02/39/38/382023938.db2.gz XKXTXDDNVSMQJH-NWDGAFQWSA-N 2 1 325.413 -0.826 20 30 EBEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NCC[NH3+])CC2)cc1 ZINC000419823315 268217807 /nfs/dbraw/zinc/21/78/07/268217807.db2.gz XQSZBXLITJLBFH-UHFFFAOYSA-N 2 1 329.404 -0.333 20 30 EBEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NCC[NH3+])CC2)cc1 ZINC000419823315 268217811 /nfs/dbraw/zinc/21/78/11/268217811.db2.gz XQSZBXLITJLBFH-UHFFFAOYSA-N 2 1 329.404 -0.333 20 30 EBEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCN1CCOC(C)(C)C1 ZINC000329397296 545739819 /nfs/dbraw/zinc/73/98/19/545739819.db2.gz XTFCHACRNBLBJX-CQSZACIVSA-N 2 1 327.473 -0.153 20 30 EBEDMP CN1CCN(C)[C@H](CNC(=O)NCCN2CCOC(C)(C)C2)C1 ZINC000329397296 545739825 /nfs/dbraw/zinc/73/98/25/545739825.db2.gz XTFCHACRNBLBJX-CQSZACIVSA-N 2 1 327.473 -0.153 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000766336232 583293821 /nfs/dbraw/zinc/29/38/21/583293821.db2.gz QNLUYEUYPPTPRW-HOTGVXAUSA-N 2 1 332.448 -0.151 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000766336232 583293825 /nfs/dbraw/zinc/29/38/25/583293825.db2.gz QNLUYEUYPPTPRW-HOTGVXAUSA-N 2 1 332.448 -0.151 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000766336232 583293828 /nfs/dbraw/zinc/29/38/28/583293828.db2.gz QNLUYEUYPPTPRW-HOTGVXAUSA-N 2 1 332.448 -0.151 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000766336232 583293831 /nfs/dbraw/zinc/29/38/31/583293831.db2.gz QNLUYEUYPPTPRW-HOTGVXAUSA-N 2 1 332.448 -0.151 20 30 EBEDMP C[NH+]=C(NCCC[N@H+](C)CCN(C)C)NCCN1CCOCC1 ZINC000849079393 584165795 /nfs/dbraw/zinc/16/57/95/584165795.db2.gz LTELHMAYWXEUPX-UHFFFAOYSA-N 2 1 328.505 -0.633 20 30 EBEDMP C[NH+]=C(NCCC[N@@H+](C)CCN(C)C)NCCN1CCOCC1 ZINC000849079393 584165797 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EBEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039274 733823606 /nfs/dbraw/zinc/82/36/06/733823606.db2.gz VHSZCNGLCSVDBC-IXDOHACOSA-N 2 1 334.464 -0.443 20 30 EBEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039274 733823610 /nfs/dbraw/zinc/82/36/10/733823610.db2.gz VHSZCNGLCSVDBC-IXDOHACOSA-N 2 1 334.464 -0.443 20 30 EBEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039274 733823615 /nfs/dbraw/zinc/82/36/15/733823615.db2.gz VHSZCNGLCSVDBC-IXDOHACOSA-N 2 1 334.464 -0.443 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](C[C@H](C)OC)C[C@@H]2O)CC1 ZINC001047638462 734294979 /nfs/dbraw/zinc/29/49/79/734294979.db2.gz UBDNSIMAOASMGI-XIRDDKMYSA-N 2 1 337.464 -0.130 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCn1cncn1)C2 ZINC001072822354 741494184 /nfs/dbraw/zinc/49/41/84/741494184.db2.gz CNKJBXOUBCGYSV-INIZCTEOSA-N 2 1 342.447 -0.090 20 30 EBEDMP 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/nfs/dbraw/zinc/63/48/22/812634822.db2.gz RGIWRCVVXWLFIE-BRWVUGGUSA-N 2 1 326.437 -0.334 20 30 EBEDMP C#CCOC[C@H](O)C[N@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001251840621 812634825 /nfs/dbraw/zinc/63/48/25/812634825.db2.gz RGIWRCVVXWLFIE-BRWVUGGUSA-N 2 1 326.437 -0.334 20 30 EBEDMP C=CC[NH+]1CCC(NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CC1 ZINC001261502227 812921097 /nfs/dbraw/zinc/92/10/97/812921097.db2.gz DEBVFOQNUFKMQG-UHFFFAOYSA-N 2 1 329.466 -0.080 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001265546804 813337514 /nfs/dbraw/zinc/33/75/14/813337514.db2.gz XLSZZTKNFCKFPG-UPJWGTAASA-N 2 1 347.419 -0.276 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001265815951 813375627 /nfs/dbraw/zinc/37/56/27/813375627.db2.gz LFTZUIVNRKCGPG-GXTWGEPZSA-N 2 1 331.420 -0.402 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001265815954 813375777 /nfs/dbraw/zinc/37/57/77/813375777.db2.gz LFTZUIVNRKCGPG-TZMCWYRMSA-N 2 1 331.420 -0.402 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)NCC1([NH2+]CC(=O)NCC#N)CCCC1 ZINC001268038772 814108499 /nfs/dbraw/zinc/10/84/99/814108499.db2.gz OMIYDERIOSTWBD-UHFFFAOYSA-N 2 1 332.408 -0.150 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268236761 814153620 /nfs/dbraw/zinc/15/36/20/814153620.db2.gz GQTDICHJRXPFAC-GDBMZVCRSA-N 2 1 334.464 -0.144 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268236761 814153627 /nfs/dbraw/zinc/15/36/27/814153627.db2.gz GQTDICHJRXPFAC-GDBMZVCRSA-N 2 1 334.464 -0.144 20 30 EBEDMP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001268661847 814342192 /nfs/dbraw/zinc/34/21/92/814342192.db2.gz MLYWPUZLRJIEPY-MLGOLLRUSA-N 2 1 341.431 -0.067 20 30 EBEDMP C=CCNC(=O)[C@@H](C)N1CC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001268911220 814438811 /nfs/dbraw/zinc/43/88/11/814438811.db2.gz JUKSRIVVUOZYQG-HIFRSBDPSA-N 2 1 338.452 -0.554 20 30 EBEDMP C=CCNC(=O)[C@@H](C)N1CC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001268911220 814438813 /nfs/dbraw/zinc/43/88/13/814438813.db2.gz JUKSRIVVUOZYQG-HIFRSBDPSA-N 2 1 338.452 -0.554 20 30 EBEDMP CN(CC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(C#N)n(C)c1)C(N)=[NH2+] ZINC001268997207 814468297 /nfs/dbraw/zinc/46/82/97/814468297.db2.gz WYYJAIYYTABBLY-GJZGRUSLSA-N 2 1 343.435 -0.103 20 30 EBEDMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](CC[NH2+]CC(=O)NCC#N)C2)C1 ZINC001269797841 815609323 /nfs/dbraw/zinc/60/93/23/815609323.db2.gz DBZAKBANUFOIHG-LSDHHAIUSA-N 2 1 335.452 -0.204 20 30 EBEDMP COCC#CC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001271211132 816036557 /nfs/dbraw/zinc/03/65/57/816036557.db2.gz VCIWPDXBNXLQMY-GOSISDBHSA-N 2 1 337.464 -0.079 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001271217144 816039124 /nfs/dbraw/zinc/03/91/24/816039124.db2.gz SMHQFJYSBACFEB-KGLIPLIRSA-N 2 1 326.441 -0.554 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001271217144 816039131 /nfs/dbraw/zinc/03/91/31/816039131.db2.gz SMHQFJYSBACFEB-KGLIPLIRSA-N 2 1 326.441 -0.554 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001086110162 816234011 /nfs/dbraw/zinc/23/40/11/816234011.db2.gz WGHJROPVVNOFCK-XHSDSOJGSA-N 2 1 330.436 -0.140 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001086110162 816234016 /nfs/dbraw/zinc/23/40/16/816234016.db2.gz WGHJROPVVNOFCK-XHSDSOJGSA-N 2 1 330.436 -0.140 20 30 EBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)Cc3cncn3C)C[C@H]2C1 ZINC001271891799 816245438 /nfs/dbraw/zinc/24/54/38/816245438.db2.gz NYUNYIRTFUGKID-OKILXGFUSA-N 2 1 331.420 -0.345 20 30 EBEDMP C=CCNC(=O)CN1C[C@@H]2CN(C(=O)Cc3cncn3C)C[C@@H]2C1 ZINC001271891799 816245443 /nfs/dbraw/zinc/24/54/43/816245443.db2.gz NYUNYIRTFUGKID-OKILXGFUSA-N 2 1 331.420 -0.345 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)CC1 ZINC001086278331 816289644 /nfs/dbraw/zinc/28/96/44/816289644.db2.gz RHQLEAZHDHWYEE-OTVXOJSOSA-N 2 1 345.451 -0.460 20 30 EBEDMP COCC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001278882610 817882711 /nfs/dbraw/zinc/88/27/11/817882711.db2.gz KOWQKOIYLDNEPQ-HZPDHXFCSA-N 2 1 325.453 -0.271 20 30 EBEDMP COCC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001278882610 817882719 /nfs/dbraw/zinc/88/27/19/817882719.db2.gz KOWQKOIYLDNEPQ-HZPDHXFCSA-N 2 1 325.453 -0.271 20 30 EBEDMP COCC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001278882610 817882728 /nfs/dbraw/zinc/88/27/28/817882728.db2.gz KOWQKOIYLDNEPQ-HZPDHXFCSA-N 2 1 325.453 -0.271 20 30 EBEDMP COCC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001279517827 817945524 /nfs/dbraw/zinc/94/55/24/817945524.db2.gz CBUGWYYNKJZBEL-GOSISDBHSA-N 2 1 335.448 -0.325 20 30 EBEDMP COCC#CC[N@H+]1CCC[C@@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001279517827 817945529 /nfs/dbraw/zinc/94/55/29/817945529.db2.gz CBUGWYYNKJZBEL-GOSISDBHSA-N 2 1 335.448 -0.325 20 30 EBEDMP COCC#CC[N@@H+]1CCC[C@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001279517828 817946348 /nfs/dbraw/zinc/94/63/48/817946348.db2.gz CBUGWYYNKJZBEL-SFHVURJKSA-N 2 1 335.448 -0.325 20 30 EBEDMP COCC#CC[N@H+]1CCC[C@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001279517828 817946354 /nfs/dbraw/zinc/94/63/54/817946354.db2.gz CBUGWYYNKJZBEL-SFHVURJKSA-N 2 1 335.448 -0.325 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC001093832871 818110000 /nfs/dbraw/zinc/11/00/00/818110000.db2.gz DYHIGWFYFNUVLX-KFWWJZLASA-N 2 1 345.451 -0.508 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC001093832871 818110005 /nfs/dbraw/zinc/11/00/05/818110005.db2.gz DYHIGWFYFNUVLX-KFWWJZLASA-N 2 1 345.451 -0.508 20 30 EBEDMP C#CC[N@H+](CCO)C1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001098370968 819156834 /nfs/dbraw/zinc/15/68/34/819156834.db2.gz DOLDDMOOCPFDBA-UHFFFAOYSA-N 2 1 347.463 -0.023 20 30 EBEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001098391853 819166010 /nfs/dbraw/zinc/16/60/10/819166010.db2.gz IJPGLLAJERHJOJ-QGZVFWFLSA-N 2 1 347.463 -0.268 20 30 EBEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001098391853 819166015 /nfs/dbraw/zinc/16/60/15/819166015.db2.gz IJPGLLAJERHJOJ-QGZVFWFLSA-N 2 1 347.463 -0.268 20 30 EBEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100023182 820058661 /nfs/dbraw/zinc/05/86/61/820058661.db2.gz XYVFFGYXPKCRRE-IAGOWNOFSA-N 2 1 337.464 -0.081 20 30 EBEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100023182 820058669 /nfs/dbraw/zinc/05/86/69/820058669.db2.gz XYVFFGYXPKCRRE-IAGOWNOFSA-N 2 1 337.464 -0.081 20 30 EBEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100037180 820097459 /nfs/dbraw/zinc/09/74/59/820097459.db2.gz VLDMKOBVUKDDDN-CVEARBPZSA-N 2 1 341.452 -0.537 20 30 EBEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100037180 820097471 /nfs/dbraw/zinc/09/74/71/820097471.db2.gz VLDMKOBVUKDDDN-CVEARBPZSA-N 2 1 341.452 -0.537 20 30 EBEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100080713 820178695 /nfs/dbraw/zinc/17/86/95/820178695.db2.gz LQJIQFYKMUGEGE-JKSUJKDBSA-N 2 1 325.453 -0.081 20 30 EBEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100080713 820178698 /nfs/dbraw/zinc/17/86/98/820178698.db2.gz LQJIQFYKMUGEGE-JKSUJKDBSA-N 2 1 325.453 -0.081 20 30 EBEDMP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101279052 820743415 /nfs/dbraw/zinc/74/34/15/820743415.db2.gz DUJQDBYKWAEXHE-RKVPGOIHSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101279052 820743420 /nfs/dbraw/zinc/74/34/20/820743420.db2.gz DUJQDBYKWAEXHE-RKVPGOIHSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101279052 820743423 /nfs/dbraw/zinc/74/34/23/820743423.db2.gz DUJQDBYKWAEXHE-RKVPGOIHSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101279052 820743426 /nfs/dbraw/zinc/74/34/26/820743426.db2.gz DUJQDBYKWAEXHE-RKVPGOIHSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CC(=O)NCC#N)C[C@@]3(C)C2)CC1 ZINC001101349796 820764110 /nfs/dbraw/zinc/76/41/10/820764110.db2.gz FADGZCDXEDOQFL-QAPCUYQASA-N 2 1 347.463 -0.252 20 30 EBEDMP C[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@@]3(C)C2)CC1 ZINC001101349796 820764115 /nfs/dbraw/zinc/76/41/15/820764115.db2.gz FADGZCDXEDOQFL-QAPCUYQASA-N 2 1 347.463 -0.252 20 30 EBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001101976156 820980271 /nfs/dbraw/zinc/98/02/71/820980271.db2.gz LVDNAFNSAIXHRH-BMFZPTHFSA-N 2 1 347.463 -0.348 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC#C)[C@H](C)C1 ZINC001102056207 821015728 /nfs/dbraw/zinc/01/57/28/821015728.db2.gz WACSUYTYBTURNS-ZACQAIPSSA-N 2 1 344.459 -0.483 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC#C)[C@H](C)C1 ZINC001102056207 821015738 /nfs/dbraw/zinc/01/57/38/821015738.db2.gz WACSUYTYBTURNS-ZACQAIPSSA-N 2 1 344.459 -0.483 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)[C@H](C)C1 ZINC001102056207 821015748 /nfs/dbraw/zinc/01/57/48/821015748.db2.gz WACSUYTYBTURNS-ZACQAIPSSA-N 2 1 344.459 -0.483 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC#C)[C@H](C)C1 ZINC001102056207 821015755 /nfs/dbraw/zinc/01/57/55/821015755.db2.gz WACSUYTYBTURNS-ZACQAIPSSA-N 2 1 344.459 -0.483 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102579996 821161671 /nfs/dbraw/zinc/16/16/71/821161671.db2.gz ALJCTKKEGULGRT-UKRRQHHQSA-N 2 1 331.420 -0.375 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102579996 821161673 /nfs/dbraw/zinc/16/16/73/821161673.db2.gz ALJCTKKEGULGRT-UKRRQHHQSA-N 2 1 331.420 -0.375 20 30 EBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102782965 821211113 /nfs/dbraw/zinc/21/11/13/821211113.db2.gz RURUFOXROLCGKS-RBSFLKMASA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001102782965 821211115 /nfs/dbraw/zinc/21/11/15/821211115.db2.gz RURUFOXROLCGKS-RBSFLKMASA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001102782965 821211122 /nfs/dbraw/zinc/21/11/22/821211122.db2.gz RURUFOXROLCGKS-RBSFLKMASA-N 2 1 335.452 -0.205 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)CC1 ZINC001105377228 821732780 /nfs/dbraw/zinc/73/27/80/821732780.db2.gz VKFHVXQEOOODGK-UHFFFAOYSA-N 2 1 346.435 -0.912 20 30 EBEDMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001316660911 821827115 /nfs/dbraw/zinc/82/71/15/821827115.db2.gz VYBVPWCOBQVMAA-SOUVJXGZSA-N 2 1 335.452 -0.158 20 30 EBEDMP C[NH+](C)CCn1cc(C(=O)NCCC[NH+]2CCN(CC#N)CC2)cn1 ZINC001316960241 821941921 /nfs/dbraw/zinc/94/19/21/821941921.db2.gz LBYFHJMLDRXMQO-UHFFFAOYSA-N 2 1 347.467 -0.294 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+]([C@H](C)COC)CC1 ZINC001316965025 821946435 /nfs/dbraw/zinc/94/64/35/821946435.db2.gz NQHLPEJLROJTLA-SJORKVTESA-N 2 1 336.480 -0.147 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+]([C@H](C)COC)CC1 ZINC001316965025 821946439 /nfs/dbraw/zinc/94/64/39/821946439.db2.gz NQHLPEJLROJTLA-SJORKVTESA-N 2 1 336.480 -0.147 20 30 EBEDMP C=CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001317219265 822041127 /nfs/dbraw/zinc/04/11/27/822041127.db2.gz HQFNGVHGUPHZGX-YMAMQOFZSA-N 2 1 338.452 -0.364 20 30 EBEDMP C=CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001317219265 822041129 /nfs/dbraw/zinc/04/11/29/822041129.db2.gz HQFNGVHGUPHZGX-YMAMQOFZSA-N 2 1 338.452 -0.364 20 30 EBEDMP C=CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001317292706 822069864 /nfs/dbraw/zinc/06/98/64/822069864.db2.gz WNWMRFHBNICROT-CABCVRRESA-N 2 1 338.452 -0.553 20 30 EBEDMP C=CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001317292706 822069868 /nfs/dbraw/zinc/06/98/68/822069868.db2.gz WNWMRFHBNICROT-CABCVRRESA-N 2 1 338.452 -0.553 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001317341618 822087762 /nfs/dbraw/zinc/08/77/62/822087762.db2.gz BDSOHIZFNQKRIX-HIFRSBDPSA-N 2 1 331.420 -0.232 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001317663251 822196793 /nfs/dbraw/zinc/19/67/93/822196793.db2.gz DMHDGNVKTDVFSR-UONOGXRCSA-N 2 1 326.441 -0.554 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001317663251 822196796 /nfs/dbraw/zinc/19/67/96/822196796.db2.gz DMHDGNVKTDVFSR-UONOGXRCSA-N 2 1 326.441 -0.554 20 30 EBEDMP C=CC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129348594 828603790 /nfs/dbraw/zinc/60/37/90/828603790.db2.gz UYDQAUSAVIGJDL-CVEARBPZSA-N 2 1 348.451 -0.084 20 30 EBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129348594 828603791 /nfs/dbraw/zinc/60/37/91/828603791.db2.gz UYDQAUSAVIGJDL-CVEARBPZSA-N 2 1 348.451 -0.084 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(C)C[N@H+](CCCO)CCO2)CC1 ZINC001108419552 824276355 /nfs/dbraw/zinc/27/63/55/824276355.db2.gz NYTDFYRDNUKHDW-SFHVURJKSA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(C)C[N@@H+](CCCO)CCO2)CC1 ZINC001108419552 824276358 /nfs/dbraw/zinc/27/63/58/824276358.db2.gz NYTDFYRDNUKHDW-SFHVURJKSA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001129770867 828667358 /nfs/dbraw/zinc/66/73/58/828667358.db2.gz MFXRPNQKRBIDSK-GJZGRUSLSA-N 2 1 341.477 -0.385 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001129770867 828667361 /nfs/dbraw/zinc/66/73/61/828667361.db2.gz MFXRPNQKRBIDSK-GJZGRUSLSA-N 2 1 341.477 -0.385 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COCC(C)C ZINC001129791221 828670580 /nfs/dbraw/zinc/67/05/80/828670580.db2.gz ZTDHIBRECXPHBN-CVEARBPZSA-N 2 1 325.453 -0.177 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COCC(C)C ZINC001129791221 828670585 /nfs/dbraw/zinc/67/05/85/828670585.db2.gz ZTDHIBRECXPHBN-CVEARBPZSA-N 2 1 325.453 -0.177 20 30 EBEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[N@H+](C)CC)n1 ZINC001130247119 828765662 /nfs/dbraw/zinc/76/56/62/828765662.db2.gz VTZKFWOINOTOLT-KBPBESRZSA-N 2 1 348.451 -0.142 20 30 EBEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[N@@H+](C)CC)[nH]1 ZINC001130247119 828765665 /nfs/dbraw/zinc/76/56/65/828765665.db2.gz VTZKFWOINOTOLT-KBPBESRZSA-N 2 1 348.451 -0.142 20 30 EBEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[N@H+](C)CC)[nH]1 ZINC001130247119 828765667 /nfs/dbraw/zinc/76/56/67/828765667.db2.gz VTZKFWOINOTOLT-KBPBESRZSA-N 2 1 348.451 -0.142 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001114607336 826296486 /nfs/dbraw/zinc/29/64/86/826296486.db2.gz OGXAAHIWOCJMMD-IDCNUPLLSA-N 2 1 344.459 -0.343 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001114607336 826296489 /nfs/dbraw/zinc/29/64/89/826296489.db2.gz OGXAAHIWOCJMMD-IDCNUPLLSA-N 2 1 344.459 -0.343 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001180136334 833044945 /nfs/dbraw/zinc/04/49/45/833044945.db2.gz YKAYIDDHEYBNMQ-IPYPFGDCSA-N 2 1 331.420 -0.092 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115123662 826427756 /nfs/dbraw/zinc/42/77/56/826427756.db2.gz UDONFHOBKPZSMK-KBXIAJHMSA-N 2 1 330.432 -0.734 20 30 EBEDMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@]1(C)C[NH2+]CC(=O)NCC#N ZINC001180898595 833121095 /nfs/dbraw/zinc/12/10/95/833121095.db2.gz BPUZMCHMLODBDU-CKEIUWERSA-N 2 1 335.452 -0.205 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001120833931 827264517 /nfs/dbraw/zinc/26/45/17/827264517.db2.gz CJHDQZUBVTXUAU-LZZBAHKZSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001121402980 827364659 /nfs/dbraw/zinc/36/46/59/827364659.db2.gz YFZVSQHLMFNLLV-UHFFFAOYSA-N 2 1 343.431 -0.042 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001121772883 827446955 /nfs/dbraw/zinc/44/69/55/827446955.db2.gz JTRJFSBMYWXSMU-ITFIPKOWSA-N 2 1 346.475 -0.050 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)NC2CC3(C2)CC([NH2+]CC(=O)NCC#N)C3)C1 ZINC001122178128 827537722 /nfs/dbraw/zinc/53/77/22/827537722.db2.gz WJEBMMLAERXXJN-FBVPLBQTSA-N 2 1 333.436 -0.405 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001183254832 833285051 /nfs/dbraw/zinc/28/50/51/833285051.db2.gz HFXDYKDXUIOXJL-KGLIPLIRSA-N 2 1 329.404 -0.300 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001183361215 833288337 /nfs/dbraw/zinc/28/83/37/833288337.db2.gz LHYGXCKAMWKMJR-IKGGRYGDSA-N 2 1 345.447 -0.468 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001183361215 833288339 /nfs/dbraw/zinc/28/83/39/833288339.db2.gz LHYGXCKAMWKMJR-IKGGRYGDSA-N 2 1 345.447 -0.468 20 30 EBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1=O ZINC001131520425 829152672 /nfs/dbraw/zinc/15/26/72/829152672.db2.gz XSIRAUCOWYXCDU-QRHJNKNDSA-N 2 1 348.447 -0.658 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133833969 829681115 /nfs/dbraw/zinc/68/11/15/829681115.db2.gz KWISKDULUSBGLW-CHWSQXEVSA-N 2 1 339.440 -0.423 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133850599 829687270 /nfs/dbraw/zinc/68/72/70/829687270.db2.gz NWPPWDOKGYLLFY-OLZOCXBDSA-N 2 1 339.440 -0.566 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001135325731 829945928 /nfs/dbraw/zinc/94/59/28/829945928.db2.gz GDDKJONDXKZMFH-OAHLLOKOSA-N 2 1 338.452 -0.667 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135675638 830004421 /nfs/dbraw/zinc/00/44/21/830004421.db2.gz JPJOYEOZBSHGKH-HUUCEWRRSA-N 2 1 338.452 -0.669 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001147567026 830362820 /nfs/dbraw/zinc/36/28/20/830362820.db2.gz UESSNMWWTOWKPJ-INIZCTEOSA-N 2 1 344.459 -0.388 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001147567026 830362825 /nfs/dbraw/zinc/36/28/25/830362825.db2.gz UESSNMWWTOWKPJ-INIZCTEOSA-N 2 1 344.459 -0.388 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147725070 830401806 /nfs/dbraw/zinc/40/18/06/830401806.db2.gz RHGRCLHGLCWXAA-MRXNPFEDSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147725070 830401815 /nfs/dbraw/zinc/40/18/15/830401815.db2.gz RHGRCLHGLCWXAA-MRXNPFEDSA-N 2 1 332.448 -0.390 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151147816 831031450 /nfs/dbraw/zinc/03/14/50/831031450.db2.gz YGRIDUDFAMOPGS-NSHDSACASA-N 2 1 336.396 -0.702 20 30 EBEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001151748487 831108091 /nfs/dbraw/zinc/10/80/91/831108091.db2.gz FRAAETXQWXOSCT-AWEZNQCLSA-N 2 1 339.440 -0.825 20 30 EBEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001151748487 831108094 /nfs/dbraw/zinc/10/80/94/831108094.db2.gz FRAAETXQWXOSCT-AWEZNQCLSA-N 2 1 339.440 -0.825 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001152149563 831134852 /nfs/dbraw/zinc/13/48/52/831134852.db2.gz YQOSGYNNUAYPQR-BETUJISGSA-N 2 1 339.440 -0.423 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001152452165 831164623 /nfs/dbraw/zinc/16/46/23/831164623.db2.gz VKYXGAZRQAUGCG-ZDUSSCGKSA-N 2 1 339.440 -0.422 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001165545169 832226033 /nfs/dbraw/zinc/22/60/33/832226033.db2.gz FIEAYUXCBKTEKF-INIZCTEOSA-N 2 1 344.459 -0.291 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001165545169 832226039 /nfs/dbraw/zinc/22/60/39/832226039.db2.gz FIEAYUXCBKTEKF-INIZCTEOSA-N 2 1 344.459 -0.291 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001167232412 832319045 /nfs/dbraw/zinc/31/90/45/832319045.db2.gz BNWKDEKNXOHZLL-OAHLLOKOSA-N 2 1 334.464 -0.046 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176096543 832657042 /nfs/dbraw/zinc/65/70/42/832657042.db2.gz UXZVVSZIFSGWRZ-STQMWFEESA-N 2 1 339.440 -0.566 20 30 EBEDMP C[N@@H+]1CCO[C@H](C(=O)NCCCCCC[NH2+]CC(=O)NCC#N)C1 ZINC001178107258 832828543 /nfs/dbraw/zinc/82/85/43/832828543.db2.gz NUIZAKJTDIRZIV-AWEZNQCLSA-N 2 1 339.440 -0.777 20 30 EBEDMP C[N@H+]1CCO[C@H](C(=O)NCCCCCC[NH2+]CC(=O)NCC#N)C1 ZINC001178107258 832828553 /nfs/dbraw/zinc/82/85/53/832828553.db2.gz NUIZAKJTDIRZIV-AWEZNQCLSA-N 2 1 339.440 -0.777 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187945407 833987491 /nfs/dbraw/zinc/98/74/91/833987491.db2.gz XYNHOJQWNGLUMK-YESZJQIVSA-N 2 1 344.459 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187945407 833987493 /nfs/dbraw/zinc/98/74/93/833987493.db2.gz XYNHOJQWNGLUMK-YESZJQIVSA-N 2 1 344.459 -0.390 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189034896 834118682 /nfs/dbraw/zinc/11/86/82/834118682.db2.gz QQHMXMREBGOHPO-BHYGNILZSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189034896 834118686 /nfs/dbraw/zinc/11/86/86/834118686.db2.gz QQHMXMREBGOHPO-BHYGNILZSA-N 2 1 346.475 -0.001 20 30 EBEDMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001191967482 834582845 /nfs/dbraw/zinc/58/28/45/834582845.db2.gz IRGXOLGJWWBJLV-SOUVJXGZSA-N 2 1 335.452 -0.111 20 30 EBEDMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001191967482 834582848 /nfs/dbraw/zinc/58/28/48/834582848.db2.gz IRGXOLGJWWBJLV-SOUVJXGZSA-N 2 1 335.452 -0.111 20 30 EBEDMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NCC#N)C2)CC[NH+]1C ZINC001191967482 834582851 /nfs/dbraw/zinc/58/28/51/834582851.db2.gz IRGXOLGJWWBJLV-SOUVJXGZSA-N 2 1 335.452 -0.111 20 30 EBEDMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C2)CC[NH+]1C ZINC001191967482 834582855 /nfs/dbraw/zinc/58/28/55/834582855.db2.gz IRGXOLGJWWBJLV-SOUVJXGZSA-N 2 1 335.452 -0.111 20 30 EBEDMP CC1(C)CC[N@@H+](CC(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001202518267 836310289 /nfs/dbraw/zinc/31/02/89/836310289.db2.gz QSWWKVYPSMOGJG-UHFFFAOYSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1 ZINC001205526303 836575307 /nfs/dbraw/zinc/57/53/07/836575307.db2.gz OJHFWPMKZJRZHC-OAHLLOKOSA-N 2 1 335.452 -0.061 20 30 EBEDMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]([NH2+]CC(=O)NCC#N)C(C)C)C1 ZINC001319968732 838201828 /nfs/dbraw/zinc/20/18/28/838201828.db2.gz QLKOXQKAXCQPIX-KBPBESRZSA-N 2 1 339.440 -0.923 20 30 EBEDMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]([NH2+]CC(=O)NCC#N)C(C)C)C1 ZINC001319968732 838201840 /nfs/dbraw/zinc/20/18/40/838201840.db2.gz QLKOXQKAXCQPIX-KBPBESRZSA-N 2 1 339.440 -0.923 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001324249556 839616159 /nfs/dbraw/zinc/61/61/59/839616159.db2.gz LNZWJZPIQFYOTL-OAHLLOKOSA-N 2 1 338.452 -0.409 20 30 EBEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(=O)NCC#N)C1 ZINC001324769652 839713294 /nfs/dbraw/zinc/71/32/94/839713294.db2.gz GAWIGCTWKFLVDT-WMLDXEAASA-N 2 1 335.452 -0.061 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001324814543 839718976 /nfs/dbraw/zinc/71/89/76/839718976.db2.gz UZLBWFPMUWBGSW-QAPCUYQASA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN1CCC([NH2+]CCCO)CC1 ZINC001325794609 839939193 /nfs/dbraw/zinc/93/91/93/839939193.db2.gz QQLOLBWPIARSED-KRWDZBQOSA-N 2 1 336.480 -0.363 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN1CCC([NH2+]CCCO)CC1 ZINC001325794609 839939199 /nfs/dbraw/zinc/93/91/99/839939199.db2.gz QQLOLBWPIARSED-KRWDZBQOSA-N 2 1 336.480 -0.363 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(CCO)CC[NH2+]Cc2cn(C)nn2)CC1 ZINC001326149221 840049789 /nfs/dbraw/zinc/04/97/89/840049789.db2.gz UIBDIQQNKFOXLT-UHFFFAOYSA-N 2 1 348.451 -0.929 20 30 EBEDMP C[N@@H+](CC(=O)NCC#N)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001328780581 840750236 /nfs/dbraw/zinc/75/02/36/840750236.db2.gz NNGBKBLHUVGRAI-HUUCEWRRSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[N@H+](CC(=O)NCC#N)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001328780581 840750246 /nfs/dbraw/zinc/75/02/46/840750246.db2.gz NNGBKBLHUVGRAI-HUUCEWRRSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[NH+](CC(=O)NCC#N)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001328780581 840750256 /nfs/dbraw/zinc/75/02/56/840750256.db2.gz NNGBKBLHUVGRAI-HUUCEWRRSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[NH+](CC(=O)NCC#N)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001328780581 840750266 /nfs/dbraw/zinc/75/02/66/840750266.db2.gz NNGBKBLHUVGRAI-HUUCEWRRSA-N 2 1 335.452 -0.109 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@]2(NC(=O)Cc3cncn3C)CCC[C@@H]12 ZINC001332109699 841575601 /nfs/dbraw/zinc/57/56/01/841575601.db2.gz GUEDTYWGXXWXIA-CRAIPNDOSA-N 2 1 343.431 -0.175 20 30 EBEDMP C#CCNC(=O)CN1CC[C@]2(NC(=O)Cc3cncn3C)CCC[C@@H]12 ZINC001332109699 841575608 /nfs/dbraw/zinc/57/56/08/841575608.db2.gz GUEDTYWGXXWXIA-CRAIPNDOSA-N 2 1 343.431 -0.175 20 30 EBEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001332617233 841690865 /nfs/dbraw/zinc/69/08/65/841690865.db2.gz CPJHWNSQXRVEBM-ZIAGYGMSSA-N 2 1 326.441 -0.866 20 30 EBEDMP C=CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001332617233 841690868 /nfs/dbraw/zinc/69/08/68/841690868.db2.gz CPJHWNSQXRVEBM-ZIAGYGMSSA-N 2 1 326.441 -0.866 20 30 EBEDMP C=CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001332617233 841690871 /nfs/dbraw/zinc/69/08/71/841690871.db2.gz CPJHWNSQXRVEBM-ZIAGYGMSSA-N 2 1 326.441 -0.866 20 30 EBEDMP C=CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001332617233 841690873 /nfs/dbraw/zinc/69/08/73/841690873.db2.gz CPJHWNSQXRVEBM-ZIAGYGMSSA-N 2 1 326.441 -0.866 20 30 EBEDMP C=CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001691415113 1125858562 /nfs/dbraw/zinc/85/85/62/1125858562.db2.gz SEVPYNBSWCOQHK-ZDUSSCGKSA-N 2 1 335.408 -0.205 20 30 EBEDMP C=CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001691415113 1125858564 /nfs/dbraw/zinc/85/85/64/1125858564.db2.gz SEVPYNBSWCOQHK-ZDUSSCGKSA-N 2 1 335.408 -0.205 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001481117641 1125925564 /nfs/dbraw/zinc/92/55/64/1125925564.db2.gz CJOWEYXPIXWSCX-GJZGRUSLSA-N 2 1 332.448 -0.342 20 30 EBEDMP COCC#CCN1CC[NH+](CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001481474085 1125999357 /nfs/dbraw/zinc/99/93/57/1125999357.db2.gz LYISRIBNXVXOQY-QGZVFWFLSA-N 2 1 336.480 -0.336 20 30 EBEDMP COCC#CCN1CC[NH+](CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001481474085 1125999358 /nfs/dbraw/zinc/99/93/58/1125999358.db2.gz LYISRIBNXVXOQY-QGZVFWFLSA-N 2 1 336.480 -0.336 20 30 EBEDMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@]1(O)CC[N@@H+](CC#CCOC)C1 ZINC001484220954 1126530588 /nfs/dbraw/zinc/53/05/88/1126530588.db2.gz GMLUGLCKHXRZLR-WBVHZDCISA-N 2 1 343.443 -0.131 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001485518955 1126741324 /nfs/dbraw/zinc/74/13/24/1126741324.db2.gz YVNYZCKCTNUJIH-KGLIPLIRSA-N 2 1 334.464 -0.097 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CCO[C@H]([C@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001485649425 1126777702 /nfs/dbraw/zinc/77/77/02/1126777702.db2.gz OWMHKSCNONGLIX-JSGCOSHPSA-N 2 1 348.407 -0.963 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCc1ccnn1C ZINC001486004039 1126978042 /nfs/dbraw/zinc/97/80/42/1126978042.db2.gz DWFLAQPWORTQAM-HOCLYGCPSA-N 2 1 333.436 -0.873 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCc1ccnn1C ZINC001486004039 1126978043 /nfs/dbraw/zinc/97/80/43/1126978043.db2.gz DWFLAQPWORTQAM-HOCLYGCPSA-N 2 1 333.436 -0.873 20 30 EBEDMP COCC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001489174163 1128917823 /nfs/dbraw/zinc/91/78/23/1128917823.db2.gz NZQUZKXIYBOQTR-SJORKVTESA-N 2 1 337.464 -0.127 20 30 EBEDMP COCC#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001489174163 1128917825 /nfs/dbraw/zinc/91/78/25/1128917825.db2.gz NZQUZKXIYBOQTR-SJORKVTESA-N 2 1 337.464 -0.127 20 30 EBEDMP COCC#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001489174163 1128917827 /nfs/dbraw/zinc/91/78/27/1128917827.db2.gz NZQUZKXIYBOQTR-SJORKVTESA-N 2 1 337.464 -0.127 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001489206006 1128931599 /nfs/dbraw/zinc/93/15/99/1128931599.db2.gz JECVNICJCFZZTF-CVEARBPZSA-N 2 1 344.459 -0.388 20 30 EBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000672355932 546092255 /nfs/dbraw/zinc/09/22/55/546092255.db2.gz DISZSZNQWBKSKL-HIFRSBDPSA-N 2 1 338.452 -0.412 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000734466805 582872904 /nfs/dbraw/zinc/87/29/04/582872904.db2.gz NGWJEYXVJHCIIH-GOSISDBHSA-N 2 1 348.491 -0.146 20 30 EBEDMP C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000874382922 584482250 /nfs/dbraw/zinc/48/22/50/584482250.db2.gz NMFDCQHAPXPDAN-JKSUJKDBSA-N 2 1 348.447 -0.867 20 30 EBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCN1S(C)(=O)=O ZINC000133916547 584616999 /nfs/dbraw/zinc/61/69/99/584616999.db2.gz DCWCOBBMSOAHKC-CHWSQXEVSA-N 2 1 331.486 -0.201 20 30 EBEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)NCC(C)(C)N1CCOCC1 ZINC000262907896 649988353 /nfs/dbraw/zinc/98/83/53/649988353.db2.gz RKLHCNAJLJLQJY-HNNXBMFYSA-N 2 1 340.516 -0.492 20 30 EBEDMP CCN(CCCNC(=[NH2+])NCCC[NH+]1CCOCC1)S(C)(=O)=O ZINC000303876238 649993042 /nfs/dbraw/zinc/99/30/42/649993042.db2.gz HZBVQGFYFJLBND-UHFFFAOYSA-N 2 1 349.501 -0.715 20 30 EBEDMP C#CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000929749932 651563747 /nfs/dbraw/zinc/56/37/47/651563747.db2.gz UGDNQMMSPHYYPZ-CQSZACIVSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000941237954 653461434 /nfs/dbraw/zinc/46/14/34/653461434.db2.gz MVWYWJMPHNLBMC-CVEARBPZSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000941237954 653461438 /nfs/dbraw/zinc/46/14/38/653461438.db2.gz MVWYWJMPHNLBMC-CVEARBPZSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC001018985739 728763872 /nfs/dbraw/zinc/76/38/72/728763872.db2.gz BZUCAXRZGIDAHS-XHSDSOJGSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC001018985739 728763873 /nfs/dbraw/zinc/76/38/73/728763873.db2.gz BZUCAXRZGIDAHS-XHSDSOJGSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001018986298 728764267 /nfs/dbraw/zinc/76/42/67/728764267.db2.gz XWNQWKAXNZXJKS-GJZGRUSLSA-N 2 1 333.436 -0.700 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001018986298 728764271 /nfs/dbraw/zinc/76/42/71/728764271.db2.gz XWNQWKAXNZXJKS-GJZGRUSLSA-N 2 1 333.436 -0.700 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)CC1 ZINC000962783409 723323360 /nfs/dbraw/zinc/32/33/60/723323360.db2.gz WHDVXJVCVGPIQO-FVQHAEBGSA-N 2 1 342.447 -0.330 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3nnnn3C)C2)CC1 ZINC000970791839 725328758 /nfs/dbraw/zinc/32/87/58/725328758.db2.gz AHCWNSYLJHNPRO-DZGCQCFKSA-N 2 1 345.451 -0.193 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(N)=O)CC3)CC1 ZINC000992508184 725805626 /nfs/dbraw/zinc/80/56/26/725805626.db2.gz LLTFRBMKKQRBPO-YJBOKZPZSA-N 2 1 332.448 -0.070 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000993856788 725954683 /nfs/dbraw/zinc/95/46/83/725954683.db2.gz CCPDVGNWQZNWSJ-HNNXBMFYSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000976287568 726254406 /nfs/dbraw/zinc/25/44/06/726254406.db2.gz UOXAAJOFIKOROM-BQJWPVKWSA-N 2 1 344.459 -0.249 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000976287568 726254413 /nfs/dbraw/zinc/25/44/13/726254413.db2.gz UOXAAJOFIKOROM-BQJWPVKWSA-N 2 1 344.459 -0.249 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC000976287568 726254417 /nfs/dbraw/zinc/25/44/17/726254417.db2.gz UOXAAJOFIKOROM-BQJWPVKWSA-N 2 1 344.459 -0.249 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC000976287568 726254420 /nfs/dbraw/zinc/25/44/20/726254420.db2.gz UOXAAJOFIKOROM-BQJWPVKWSA-N 2 1 344.459 -0.249 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000976735713 726402105 /nfs/dbraw/zinc/40/21/05/726402105.db2.gz KUVYUEMAZMGPLU-NRKLIOEPSA-N 2 1 344.459 -0.391 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000976735713 726402108 /nfs/dbraw/zinc/40/21/08/726402108.db2.gz KUVYUEMAZMGPLU-NRKLIOEPSA-N 2 1 344.459 -0.391 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]21 ZINC000976735713 726402109 /nfs/dbraw/zinc/40/21/09/726402109.db2.gz KUVYUEMAZMGPLU-NRKLIOEPSA-N 2 1 344.459 -0.391 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]21 ZINC000976735713 726402112 /nfs/dbraw/zinc/40/21/12/726402112.db2.gz KUVYUEMAZMGPLU-NRKLIOEPSA-N 2 1 344.459 -0.391 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnnn2C)CC1 ZINC000996685194 726422161 /nfs/dbraw/zinc/42/21/61/726422161.db2.gz NGRZKKYHOYCDDG-INIZCTEOSA-N 2 1 330.436 -0.007 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnnn2C)CC1 ZINC000996685194 726422162 /nfs/dbraw/zinc/42/21/62/726422162.db2.gz NGRZKKYHOYCDDG-INIZCTEOSA-N 2 1 330.436 -0.007 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(=O)N2CCC2)C1 ZINC000998921945 726501387 /nfs/dbraw/zinc/50/13/87/726501387.db2.gz BGRNJQSRIYCJKO-GPANFISMSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(=O)N2CCC2)C1 ZINC000998921945 726501388 /nfs/dbraw/zinc/50/13/88/726501388.db2.gz BGRNJQSRIYCJKO-GPANFISMSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001002836821 726649963 /nfs/dbraw/zinc/64/99/63/726649963.db2.gz VNVZNYLGQVFWNK-DLBZAZTESA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001002836821 726649964 /nfs/dbraw/zinc/64/99/64/726649964.db2.gz VNVZNYLGQVFWNK-DLBZAZTESA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nncn3C)C2)CC1 ZINC001019813628 728998251 /nfs/dbraw/zinc/99/82/51/728998251.db2.gz KESKVILHHONYDH-HNNXBMFYSA-N 2 1 330.436 -0.149 20 30 EBEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1=O ZINC001020045910 729061752 /nfs/dbraw/zinc/06/17/52/729061752.db2.gz PHFUSCKFEPAHKH-KBUPBQIOSA-N 2 1 336.436 -0.659 20 30 EBEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC001020045910 729061757 /nfs/dbraw/zinc/06/17/57/729061757.db2.gz PHFUSCKFEPAHKH-KBUPBQIOSA-N 2 1 336.436 -0.659 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnn(C)n3)C2)CC1 ZINC001023128257 729614694 /nfs/dbraw/zinc/61/46/94/729614694.db2.gz WIDWPUTYTPYOIN-GASCZTMLSA-N 2 1 330.436 -0.103 20 30 EBEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001025708577 730077321 /nfs/dbraw/zinc/07/73/21/730077321.db2.gz YYWJHMJXRTYEBM-ZVDSWSACSA-N 2 1 332.448 -0.086 20 30 EBEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001025708577 730077322 /nfs/dbraw/zinc/07/73/22/730077322.db2.gz YYWJHMJXRTYEBM-ZVDSWSACSA-N 2 1 332.448 -0.086 20 30 EBEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001025708577 730077325 /nfs/dbraw/zinc/07/73/25/730077325.db2.gz YYWJHMJXRTYEBM-ZVDSWSACSA-N 2 1 332.448 -0.086 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001029003391 730382831 /nfs/dbraw/zinc/38/28/31/730382831.db2.gz MEWWEGXALPZFMM-OAHLLOKOSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC2C[NH+]([C@@H]3CCCNC3=O)C2)CC1 ZINC001032206448 730829718 /nfs/dbraw/zinc/82/97/18/730829718.db2.gz BIJGGTCMDVXAFN-MRXNPFEDSA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001033687857 731063892 /nfs/dbraw/zinc/06/38/92/731063892.db2.gz LRJHLOCKFIQPOB-JKSUJKDBSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001033687857 731063895 /nfs/dbraw/zinc/06/38/95/731063895.db2.gz LRJHLOCKFIQPOB-JKSUJKDBSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001033687854 731064033 /nfs/dbraw/zinc/06/40/33/731064033.db2.gz LRJHLOCKFIQPOB-HOTGVXAUSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001033687854 731064037 /nfs/dbraw/zinc/06/40/37/731064037.db2.gz LRJHLOCKFIQPOB-HOTGVXAUSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cnnn1C ZINC001045073742 733573236 /nfs/dbraw/zinc/57/32/36/733573236.db2.gz OOQSHMJJFCCVHJ-HOCLYGCPSA-N 2 1 330.436 -0.007 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cnnn1C ZINC001045073742 733573237 /nfs/dbraw/zinc/57/32/37/733573237.db2.gz OOQSHMJJFCCVHJ-HOCLYGCPSA-N 2 1 330.436 -0.007 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(N)=O)C3)CC1 ZINC001047208479 734110735 /nfs/dbraw/zinc/11/07/35/734110735.db2.gz GOKUSYMFAZMLSA-BPUTZDHNSA-N 2 1 332.448 -0.214 20 30 EBEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001047463801 734207533 /nfs/dbraw/zinc/20/75/33/734207533.db2.gz SZEQANCQIBAZAN-BFKWJSRZSA-N 2 1 335.448 -0.071 20 30 EBEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001047463801 734207539 /nfs/dbraw/zinc/20/75/39/734207539.db2.gz SZEQANCQIBAZAN-BFKWJSRZSA-N 2 1 335.448 -0.071 20 30 EBEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001047463801 734207541 /nfs/dbraw/zinc/20/75/41/734207541.db2.gz SZEQANCQIBAZAN-BFKWJSRZSA-N 2 1 335.448 -0.071 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001047638068 734294933 /nfs/dbraw/zinc/29/49/33/734294933.db2.gz AIOIVIFLSXDUPG-NJAFHUGGSA-N 2 1 349.475 -0.128 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N(C)C)C[C@@H]3C2)CC1 ZINC001049234834 734695136 /nfs/dbraw/zinc/69/51/36/734695136.db2.gz IRBRUFDHLPTJOR-CALCHBBNSA-N 2 1 346.475 -0.190 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)CC1 ZINC001049235132 734695234 /nfs/dbraw/zinc/69/52/34/734695234.db2.gz LGQGDGVUVIBILF-BBWFWOEESA-N 2 1 344.459 -0.390 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@H]1CCNC1=O)CC2 ZINC001050551492 734924036 /nfs/dbraw/zinc/92/40/36/734924036.db2.gz YFYAORJYIVDWOV-HOTGVXAUSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@H]1CCNC1=O)CC2 ZINC001050551492 734924038 /nfs/dbraw/zinc/92/40/38/734924038.db2.gz YFYAORJYIVDWOV-HOTGVXAUSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070015442 740658938 /nfs/dbraw/zinc/65/89/38/740658938.db2.gz ZCXRMJHMPYZCDC-CVEARBPZSA-N 2 1 330.436 -0.015 20 30 EBEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076017 740685475 /nfs/dbraw/zinc/68/54/75/740685475.db2.gz GPSGDTVTLCHEND-OAGGEKHMSA-N 2 1 330.436 -0.015 20 30 EBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076017 740685479 /nfs/dbraw/zinc/68/54/79/740685479.db2.gz GPSGDTVTLCHEND-OAGGEKHMSA-N 2 1 330.436 -0.015 20 30 EBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076017 740685482 /nfs/dbraw/zinc/68/54/82/740685482.db2.gz GPSGDTVTLCHEND-OAGGEKHMSA-N 2 1 330.436 -0.015 20 30 EBEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@@H]1n1ccnn1 ZINC001070260999 740771458 /nfs/dbraw/zinc/77/14/58/740771458.db2.gz XZBWIIJECHKXBZ-OWCLPIDISA-N 2 1 348.451 -0.085 20 30 EBEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@@H]1n1ccnn1 ZINC001070260999 740771461 /nfs/dbraw/zinc/77/14/61/740771461.db2.gz XZBWIIJECHKXBZ-OWCLPIDISA-N 2 1 348.451 -0.085 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H]1CCCNC1=O)C2 ZINC001072822850 741494787 /nfs/dbraw/zinc/49/47/87/741494787.db2.gz VRUCCMZYGUGLBM-CVEARBPZSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H]1CCCNC1=O)C2 ZINC001072822850 741494789 /nfs/dbraw/zinc/49/47/89/741494789.db2.gz VRUCCMZYGUGLBM-CVEARBPZSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCCNC1=O)C2 ZINC001072822850 741494791 /nfs/dbraw/zinc/49/47/91/741494791.db2.gz VRUCCMZYGUGLBM-CVEARBPZSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001072822850 741494793 /nfs/dbraw/zinc/49/47/93/741494793.db2.gz VRUCCMZYGUGLBM-CVEARBPZSA-N 2 1 344.459 -0.103 20 30 EBEDMP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CN(C)CCO3)[C@H]2C1 ZINC001217595356 810444196 /nfs/dbraw/zinc/44/41/96/810444196.db2.gz NSSWQSRBZRPJQW-XHSDSOJGSA-N 2 1 339.436 -0.569 20 30 EBEDMP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CN(C)CCO3)[C@H]2C1 ZINC001217595356 810444202 /nfs/dbraw/zinc/44/42/02/810444202.db2.gz NSSWQSRBZRPJQW-XHSDSOJGSA-N 2 1 339.436 -0.569 20 30 EBEDMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001220767176 811233020 /nfs/dbraw/zinc/23/30/20/811233020.db2.gz RGPACSZKOLDPDU-SJORKVTESA-N 2 1 346.431 -0.202 20 30 EBEDMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001220767176 811233028 /nfs/dbraw/zinc/23/30/28/811233028.db2.gz RGPACSZKOLDPDU-SJORKVTESA-N 2 1 346.431 -0.202 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]21 ZINC001222707279 811657691 /nfs/dbraw/zinc/65/76/91/811657691.db2.gz CLASWEAVRCMVAU-VQHPVUNQSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]21 ZINC001222707279 811657694 /nfs/dbraw/zinc/65/76/94/811657694.db2.gz CLASWEAVRCMVAU-VQHPVUNQSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]21 ZINC001222707279 811657698 /nfs/dbraw/zinc/65/76/98/811657698.db2.gz CLASWEAVRCMVAU-VQHPVUNQSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]21 ZINC001222707279 811657701 /nfs/dbraw/zinc/65/77/01/811657701.db2.gz CLASWEAVRCMVAU-VQHPVUNQSA-N 2 1 346.475 -0.001 20 30 EBEDMP N#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001223203460 811688069 /nfs/dbraw/zinc/68/80/69/811688069.db2.gz YMXWIYUSJJSYQV-INIZCTEOSA-N 2 1 347.463 -0.204 20 30 EBEDMP C[C@H]1CCC[N@@H+]1CC(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001224536165 811763242 /nfs/dbraw/zinc/76/32/42/811763242.db2.gz JKHVHQCWIHFZTJ-AWEZNQCLSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[C@H]1CCC[N@H+]1CC(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001224536165 811763251 /nfs/dbraw/zinc/76/32/51/811763251.db2.gz JKHVHQCWIHFZTJ-AWEZNQCLSA-N 2 1 335.452 -0.061 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N ZINC001227524999 811928867 /nfs/dbraw/zinc/92/88/67/811928867.db2.gz LLCBMQYSSOZKLH-ZIAGYGMSSA-N 2 1 332.408 -0.152 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001263863789 813130142 /nfs/dbraw/zinc/13/01/42/813130142.db2.gz DQCZJHCUBIJSBA-SYQHCUMBSA-N 2 1 349.435 -0.848 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001263863789 813130148 /nfs/dbraw/zinc/13/01/48/813130148.db2.gz DQCZJHCUBIJSBA-SYQHCUMBSA-N 2 1 349.435 -0.848 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)[C@H]2CCC(=O)NC2=O)CC1 ZINC001265072858 813236442 /nfs/dbraw/zinc/23/64/42/813236442.db2.gz ICEIULMMGAZYBX-HNNXBMFYSA-N 2 1 348.447 -0.425 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001265815953 813376210 /nfs/dbraw/zinc/37/62/10/813376210.db2.gz LFTZUIVNRKCGPG-OCCSQVGLSA-N 2 1 331.420 -0.402 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001266690173 813640968 /nfs/dbraw/zinc/64/09/68/813640968.db2.gz GKAUVKNTOFZILW-MJBXVCDLSA-N 2 1 345.403 -0.053 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001266690173 813640973 /nfs/dbraw/zinc/64/09/73/813640973.db2.gz GKAUVKNTOFZILW-MJBXVCDLSA-N 2 1 345.403 -0.053 20 30 EBEDMP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266897281 813694323 /nfs/dbraw/zinc/69/43/23/813694323.db2.gz MFCJVLQOPKZZMV-HUUCEWRRSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266897281 813694328 /nfs/dbraw/zinc/69/43/28/813694328.db2.gz MFCJVLQOPKZZMV-HUUCEWRRSA-N 2 1 335.452 -0.061 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001266919718 813701104 /nfs/dbraw/zinc/70/11/04/813701104.db2.gz HFNBLTRPTCCPJX-UHFFFAOYSA-N 2 1 340.387 -0.322 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001267530929 813922535 /nfs/dbraw/zinc/92/25/35/813922535.db2.gz HXOGRMUAJHYAHP-GDBMZVCRSA-N 2 1 347.463 -0.204 20 30 EBEDMP C#CCC[NH+]1CCN(CCN(C)C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001267576874 813937469 /nfs/dbraw/zinc/93/74/69/813937469.db2.gz ALUWMARSSFQGKK-QGZVFWFLSA-N 2 1 336.480 -0.194 20 30 EBEDMP C#CCC[NH+]1CCN(CCN(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001267576874 813937473 /nfs/dbraw/zinc/93/74/73/813937473.db2.gz ALUWMARSSFQGKK-QGZVFWFLSA-N 2 1 336.480 -0.194 20 30 EBEDMP CC(C)[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C1)[NH+](C)C ZINC001267593307 813946777 /nfs/dbraw/zinc/94/67/77/813946777.db2.gz HWBUDLCFFKGOCY-ZBFHGGJFSA-N 2 1 337.468 -0.007 20 30 EBEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148683 814162705 /nfs/dbraw/zinc/16/27/05/814162705.db2.gz AHMGTPQFFVZTCE-SYGRHNPNSA-N 2 1 333.432 -0.053 20 30 EBEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148683 814162709 /nfs/dbraw/zinc/16/27/09/814162709.db2.gz AHMGTPQFFVZTCE-SYGRHNPNSA-N 2 1 333.432 -0.053 20 30 EBEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148683 814162712 /nfs/dbraw/zinc/16/27/12/814162712.db2.gz AHMGTPQFFVZTCE-SYGRHNPNSA-N 2 1 333.432 -0.053 20 30 EBEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148683 814162715 /nfs/dbraw/zinc/16/27/15/814162715.db2.gz AHMGTPQFFVZTCE-SYGRHNPNSA-N 2 1 333.432 -0.053 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCN1CCNC1=O ZINC001268372966 814224974 /nfs/dbraw/zinc/22/49/74/814224974.db2.gz JDIYDBIIHZTXOO-CABCVRRESA-N 2 1 335.452 -0.406 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCN1CCNC1=O ZINC001268372966 814224979 /nfs/dbraw/zinc/22/49/79/814224979.db2.gz JDIYDBIIHZTXOO-CABCVRRESA-N 2 1 335.452 -0.406 20 30 EBEDMP C=CCN1CC[C@H]([NH2+]CCCN(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001268785479 814385681 /nfs/dbraw/zinc/38/56/81/814385681.db2.gz AUPNXQLPLRNRRS-LSDHHAIUSA-N 2 1 338.452 -0.458 20 30 EBEDMP C=CCN1CC[C@H]([NH2+]CCCN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001268785479 814385688 /nfs/dbraw/zinc/38/56/88/814385688.db2.gz AUPNXQLPLRNRRS-LSDHHAIUSA-N 2 1 338.452 -0.458 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001269378006 814669363 /nfs/dbraw/zinc/66/93/63/814669363.db2.gz MCBRSRMZOIPXQJ-STQMWFEESA-N 2 1 339.440 -0.423 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C[C@H]1C ZINC001269980380 815654915 /nfs/dbraw/zinc/65/49/15/815654915.db2.gz GHHZKTTVGDSEGV-OCCSQVGLSA-N 2 1 332.408 -0.200 20 30 EBEDMP C[C@H]1CC[N@H+](CC(=O)NC2(C)CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001270249222 815733740 /nfs/dbraw/zinc/73/37/40/815733740.db2.gz PUXCGFPOXCNSGR-AWEZNQCLSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[C@H]1CC[N@@H+](CC(=O)NC2(C)CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001270249222 815733747 /nfs/dbraw/zinc/73/37/47/815733747.db2.gz PUXCGFPOXCNSGR-AWEZNQCLSA-N 2 1 335.452 -0.061 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001084090305 815827062 /nfs/dbraw/zinc/82/70/62/815827062.db2.gz UBXUOERZWWYUHU-NXHRZFHOSA-N 2 1 349.475 -0.081 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C1 ZINC001271873137 816240751 /nfs/dbraw/zinc/24/07/51/816240751.db2.gz CCUAJCGBPDPXOH-GASCZTMLSA-N 2 1 332.448 -0.532 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001086390199 816316143 /nfs/dbraw/zinc/31/61/43/816316143.db2.gz GSJSVFGLBMJEMK-AJNGGQMLSA-N 2 1 346.431 -0.626 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001086390199 816316151 /nfs/dbraw/zinc/31/61/51/816316151.db2.gz GSJSVFGLBMJEMK-AJNGGQMLSA-N 2 1 346.431 -0.626 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086390318 816316481 /nfs/dbraw/zinc/31/64/81/816316481.db2.gz NJLWFPODZHFSIL-JYJNAYRXSA-N 2 1 347.463 -0.406 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086390318 816316485 /nfs/dbraw/zinc/31/64/85/816316485.db2.gz NJLWFPODZHFSIL-JYJNAYRXSA-N 2 1 347.463 -0.406 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001272216760 816356317 /nfs/dbraw/zinc/35/63/17/816356317.db2.gz XISXWCGVMXFDFN-HOTGVXAUSA-N 2 1 343.431 -0.136 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001272216760 816356322 /nfs/dbraw/zinc/35/63/22/816356322.db2.gz XISXWCGVMXFDFN-HOTGVXAUSA-N 2 1 343.431 -0.136 20 30 EBEDMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C)([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001274374975 816943017 /nfs/dbraw/zinc/94/30/17/816943017.db2.gz GQALSNDNHJVKHG-CQSZACIVSA-N 2 1 335.452 -0.061 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001275022361 817143099 /nfs/dbraw/zinc/14/30/99/817143099.db2.gz FLYVTYZLMGSAOS-LLVKDONJSA-N 2 1 336.396 -0.702 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC(=O)NCC#N)C1 ZINC001275243683 817176287 /nfs/dbraw/zinc/17/62/87/817176287.db2.gz ZGNOABAGHFLVKB-NRXISQOPSA-N 2 1 331.420 -0.792 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC(=O)NCC#N)C1 ZINC001275243683 817176294 /nfs/dbraw/zinc/17/62/94/817176294.db2.gz ZGNOABAGHFLVKB-NRXISQOPSA-N 2 1 331.420 -0.792 20 30 EBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](O)C1 ZINC001090272100 817214011 /nfs/dbraw/zinc/21/40/11/817214011.db2.gz MEOQJTOTDWBXDD-GOEBONIOSA-N 2 1 333.436 -0.367 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCn1nc(C)nc1C ZINC001278094595 817695449 /nfs/dbraw/zinc/69/54/49/817695449.db2.gz YBDOILDYPCDFEN-CVEARBPZSA-N 2 1 348.451 -0.941 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCn1nc(C)nc1C ZINC001278094595 817695453 /nfs/dbraw/zinc/69/54/53/817695453.db2.gz YBDOILDYPCDFEN-CVEARBPZSA-N 2 1 348.451 -0.941 20 30 EBEDMP COCC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001278350522 817746765 /nfs/dbraw/zinc/74/67/65/817746765.db2.gz XZZOPLPYGUDSOG-QZTJIDSGSA-N 2 1 348.491 -0.051 20 30 EBEDMP COCC#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001278350522 817746769 /nfs/dbraw/zinc/74/67/69/817746769.db2.gz XZZOPLPYGUDSOG-QZTJIDSGSA-N 2 1 348.491 -0.051 20 30 EBEDMP COCC#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001278350522 817746773 /nfs/dbraw/zinc/74/67/73/817746773.db2.gz XZZOPLPYGUDSOG-QZTJIDSGSA-N 2 1 348.491 -0.051 20 30 EBEDMP COCC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001278823002 817851394 /nfs/dbraw/zinc/85/13/94/817851394.db2.gz VYLVPQHTNVIWJV-RDJZCZTQSA-N 2 1 325.453 -0.225 20 30 EBEDMP COCC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001278823000 817852147 /nfs/dbraw/zinc/85/21/47/817852147.db2.gz VYLVPQHTNVIWJV-DOTOQJQBSA-N 2 1 325.453 -0.225 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC=C(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001279628336 817961369 /nfs/dbraw/zinc/96/13/69/817961369.db2.gz GKMTZGBTAMHGSX-UHFFFAOYSA-N 2 1 332.448 -0.174 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC=C(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001279628336 817961373 /nfs/dbraw/zinc/96/13/73/817961373.db2.gz GKMTZGBTAMHGSX-UHFFFAOYSA-N 2 1 332.448 -0.174 20 30 EBEDMP C[N@@H+]1CCO[C@H](C(=O)N(CCO)CC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001279680121 817968574 /nfs/dbraw/zinc/96/85/74/817968574.db2.gz KLFHUADJSHTVIW-KRWDZBQOSA-N 2 1 346.431 -0.201 20 30 EBEDMP C[N@H+]1CCO[C@H](C(=O)N(CCO)CC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001279680121 817968579 /nfs/dbraw/zinc/96/85/79/817968579.db2.gz KLFHUADJSHTVIW-KRWDZBQOSA-N 2 1 346.431 -0.201 20 30 EBEDMP C#CCN1CCC[C@H]1C(=O)N(CCO)CCNCc1ocnc1C ZINC001279730853 817975996 /nfs/dbraw/zinc/97/59/96/817975996.db2.gz HFICCYWDPGQXTG-HNNXBMFYSA-N 2 1 334.420 -0.009 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001281872444 818298582 /nfs/dbraw/zinc/29/85/82/818298582.db2.gz RBTVOWANENODGL-HNNXBMFYSA-N 2 1 331.420 -0.088 20 30 EBEDMP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2=O)C1 ZINC001094808155 818498663 /nfs/dbraw/zinc/49/86/63/818498663.db2.gz IENLZYBCPYFSOS-CABCVRRESA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC001094808155 818498669 /nfs/dbraw/zinc/49/86/69/818498669.db2.gz IENLZYBCPYFSOS-CABCVRRESA-N 2 1 332.448 -0.247 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H](C)[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001282914525 818527214 /nfs/dbraw/zinc/52/72/14/818527214.db2.gz VSYUWYOKZUNAOV-LSDHHAIUSA-N 2 1 349.435 -0.301 20 30 EBEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001284517395 819267638 /nfs/dbraw/zinc/26/76/38/819267638.db2.gz UQFCRKXRSSOAMI-OAHLLOKOSA-N 2 1 325.453 -0.128 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001284527232 819273045 /nfs/dbraw/zinc/27/30/45/819273045.db2.gz MJAUNAKXGHXIIK-INIZCTEOSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC#CCOC)C[C@@H]2O)CC1 ZINC001100122254 820251853 /nfs/dbraw/zinc/25/18/53/820251853.db2.gz ORJRTDCTHIZDIG-ROUUACIJSA-N 2 1 347.459 -0.467 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC#CCOC)C[C@@H]2O)CC1 ZINC001100122254 820251860 /nfs/dbraw/zinc/25/18/60/820251860.db2.gz ORJRTDCTHIZDIG-ROUUACIJSA-N 2 1 347.459 -0.467 20 30 EBEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100319558 820356283 /nfs/dbraw/zinc/35/62/83/820356283.db2.gz RYGXZJXNZMRPIZ-NRXISQOPSA-N 2 1 335.452 -0.017 20 30 EBEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100319559 820356490 /nfs/dbraw/zinc/35/64/90/820356490.db2.gz RYGXZJXNZMRPIZ-YMAMQOFZSA-N 2 1 335.452 -0.017 20 30 EBEDMP N#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001100405874 820405946 /nfs/dbraw/zinc/40/59/46/820405946.db2.gz QNQWELXNVMOHQR-JXQTWKCFSA-N 2 1 344.419 -0.115 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100415509 820410568 /nfs/dbraw/zinc/41/05/68/820410568.db2.gz UUHSRLYIWBHXPV-NRXISQOPSA-N 2 1 331.420 -0.792 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100415509 820410572 /nfs/dbraw/zinc/41/05/72/820410572.db2.gz UUHSRLYIWBHXPV-NRXISQOPSA-N 2 1 331.420 -0.792 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001100989006 820636021 /nfs/dbraw/zinc/63/60/21/820636021.db2.gz CUDLUWJJMJSJEA-GRTSSRMGSA-N 2 1 331.420 -0.186 20 30 EBEDMP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1)[NH+](C)C ZINC001101365985 820767919 /nfs/dbraw/zinc/76/79/19/820767919.db2.gz UXPFSYMFCMITKW-KEYYUXOJSA-N 2 1 335.452 -0.253 20 30 EBEDMP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1)[NH+](C)C ZINC001101365985 820767924 /nfs/dbraw/zinc/76/79/24/820767924.db2.gz UXPFSYMFCMITKW-KEYYUXOJSA-N 2 1 335.452 -0.253 20 30 EBEDMP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101362751 820768024 /nfs/dbraw/zinc/76/80/24/820768024.db2.gz CHNOYUHYNKLIAL-DAYGRLMNSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101362751 820768028 /nfs/dbraw/zinc/76/80/28/820768028.db2.gz CHNOYUHYNKLIAL-DAYGRLMNSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101362751 820768032 /nfs/dbraw/zinc/76/80/32/820768032.db2.gz CHNOYUHYNKLIAL-DAYGRLMNSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101362751 820768038 /nfs/dbraw/zinc/76/80/38/820768038.db2.gz CHNOYUHYNKLIAL-DAYGRLMNSA-N 2 1 347.463 -0.109 20 30 EBEDMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101398077 820779006 /nfs/dbraw/zinc/77/90/06/820779006.db2.gz WLQZSDGLZPMOEG-PBHICJAKSA-N 2 1 335.452 -0.252 20 30 EBEDMP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101398077 820779009 /nfs/dbraw/zinc/77/90/09/820779009.db2.gz WLQZSDGLZPMOEG-PBHICJAKSA-N 2 1 335.452 -0.252 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101976264 820979740 /nfs/dbraw/zinc/97/97/40/820979740.db2.gz SJWOSBRTQUJNDJ-OIISXLGYSA-N 2 1 346.475 -0.238 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102091208 821023065 /nfs/dbraw/zinc/02/30/65/821023065.db2.gz XHVGVKKWYHLANW-BZUAXINKSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001102091208 821023073 /nfs/dbraw/zinc/02/30/73/821023073.db2.gz XHVGVKKWYHLANW-BZUAXINKSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001102091208 821023082 /nfs/dbraw/zinc/02/30/82/821023082.db2.gz XHVGVKKWYHLANW-BZUAXINKSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514486 821134048 /nfs/dbraw/zinc/13/40/48/821134048.db2.gz YSQSSHRZZPLGAV-BZUAXINKSA-N 2 1 346.475 -0.096 20 30 EBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102514037 821135045 /nfs/dbraw/zinc/13/50/45/821135045.db2.gz KDQKTFFFLIVLPM-RBSFLKMASA-N 2 1 335.452 -0.348 20 30 EBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001102514037 821135049 /nfs/dbraw/zinc/13/50/49/821135049.db2.gz KDQKTFFFLIVLPM-RBSFLKMASA-N 2 1 335.452 -0.348 20 30 EBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001102514037 821135051 /nfs/dbraw/zinc/13/50/51/821135051.db2.gz KDQKTFFFLIVLPM-RBSFLKMASA-N 2 1 335.452 -0.348 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001316630563 821821489 /nfs/dbraw/zinc/82/14/89/821821489.db2.gz WHBPWEPVJYRBCE-VQHPVUNQSA-N 2 1 344.459 -0.294 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001316630563 821821495 /nfs/dbraw/zinc/82/14/95/821821495.db2.gz WHBPWEPVJYRBCE-VQHPVUNQSA-N 2 1 344.459 -0.294 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001316755884 821845439 /nfs/dbraw/zinc/84/54/39/821845439.db2.gz PCRDHRLTGKGNHK-CVEARBPZSA-N 2 1 346.475 -0.142 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C[C@H]1C ZINC001106266302 822239281 /nfs/dbraw/zinc/23/92/81/822239281.db2.gz BCIAHFDZBODENF-ZACQAIPSSA-N 2 1 344.459 -0.483 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C[C@H]1C ZINC001106266302 822239286 /nfs/dbraw/zinc/23/92/86/822239286.db2.gz BCIAHFDZBODENF-ZACQAIPSSA-N 2 1 344.459 -0.483 20 30 EBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129362579 828604910 /nfs/dbraw/zinc/60/49/10/828604910.db2.gz AGWLLSXKWSSNDH-HNNXBMFYSA-N 2 1 338.452 -0.362 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COCc1ccco1 ZINC001129791169 828670169 /nfs/dbraw/zinc/67/01/69/828670169.db2.gz WDMWZIASIWVMBU-RDJZCZTQSA-N 2 1 349.431 -0.040 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COCc1ccco1 ZINC001129791169 828670171 /nfs/dbraw/zinc/67/01/71/828670171.db2.gz WDMWZIASIWVMBU-RDJZCZTQSA-N 2 1 349.431 -0.040 20 30 EBEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001114057181 826125219 /nfs/dbraw/zinc/12/52/19/826125219.db2.gz JWVKTIGSFYRNPT-DLTWYDFYSA-N 2 1 347.463 -0.111 20 30 EBEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001114057181 826125224 /nfs/dbraw/zinc/12/52/24/826125224.db2.gz JWVKTIGSFYRNPT-DLTWYDFYSA-N 2 1 347.463 -0.111 20 30 EBEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC001114057181 826125228 /nfs/dbraw/zinc/12/52/28/826125228.db2.gz JWVKTIGSFYRNPT-DLTWYDFYSA-N 2 1 347.463 -0.111 20 30 EBEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001114057181 826125233 /nfs/dbraw/zinc/12/52/33/826125233.db2.gz JWVKTIGSFYRNPT-DLTWYDFYSA-N 2 1 347.463 -0.111 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001114291239 826196344 /nfs/dbraw/zinc/19/63/44/826196344.db2.gz UPNVBQRSYDFSQC-AIANPOQGSA-N 2 1 330.432 -0.876 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001114291239 826196345 /nfs/dbraw/zinc/19/63/45/826196345.db2.gz UPNVBQRSYDFSQC-AIANPOQGSA-N 2 1 330.432 -0.876 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001114502219 826267748 /nfs/dbraw/zinc/26/77/48/826267748.db2.gz PYUQGRAHARMWQC-UIBIWLFHSA-N 2 1 346.475 -0.097 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001114502219 826267752 /nfs/dbraw/zinc/26/77/52/826267752.db2.gz PYUQGRAHARMWQC-UIBIWLFHSA-N 2 1 346.475 -0.097 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001114502219 826267753 /nfs/dbraw/zinc/26/77/53/826267753.db2.gz PYUQGRAHARMWQC-UIBIWLFHSA-N 2 1 346.475 -0.097 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001114502219 826267756 /nfs/dbraw/zinc/26/77/56/826267756.db2.gz PYUQGRAHARMWQC-UIBIWLFHSA-N 2 1 346.475 -0.097 20 30 EBEDMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001114921679 826373009 /nfs/dbraw/zinc/37/30/09/826373009.db2.gz QSEWNVMIAOXZRF-QSJFSLAZSA-N 2 1 347.463 -0.065 20 30 EBEDMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001114921679 826373017 /nfs/dbraw/zinc/37/30/17/826373017.db2.gz QSEWNVMIAOXZRF-QSJFSLAZSA-N 2 1 347.463 -0.065 20 30 EBEDMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114921679 826373024 /nfs/dbraw/zinc/37/30/24/826373024.db2.gz QSEWNVMIAOXZRF-QSJFSLAZSA-N 2 1 347.463 -0.065 20 30 EBEDMP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114921679 826373029 /nfs/dbraw/zinc/37/30/29/826373029.db2.gz QSEWNVMIAOXZRF-QSJFSLAZSA-N 2 1 347.463 -0.065 20 30 EBEDMP C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21)[NH+]1CCCCCC1 ZINC001114922646 826373210 /nfs/dbraw/zinc/37/32/10/826373210.db2.gz XWBLPBHMSCHJHG-LJIGWXMPSA-N 2 1 347.463 -0.063 20 30 EBEDMP C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21)[NH+]1CCCCCC1 ZINC001114922646 826373215 /nfs/dbraw/zinc/37/32/15/826373215.db2.gz XWBLPBHMSCHJHG-LJIGWXMPSA-N 2 1 347.463 -0.063 20 30 EBEDMP COCC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001120878562 827268180 /nfs/dbraw/zinc/26/81/80/827268180.db2.gz JFYDOUZEJKNASK-HVEGKCCWSA-N 2 1 335.448 -0.016 20 30 EBEDMP COCC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001120878562 827268186 /nfs/dbraw/zinc/26/81/86/827268186.db2.gz JFYDOUZEJKNASK-HVEGKCCWSA-N 2 1 335.448 -0.016 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC)C2 ZINC001121251791 827331735 /nfs/dbraw/zinc/33/17/35/827331735.db2.gz XGNNDNUIRCWQDV-LZZBAHKZSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC)C2 ZINC001121251791 827331743 /nfs/dbraw/zinc/33/17/43/827331743.db2.gz XGNNDNUIRCWQDV-LZZBAHKZSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001183353766 833287792 /nfs/dbraw/zinc/28/77/92/833287792.db2.gz ABYRXDCUFMUVBN-ZBFHGGJFSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001183353766 833287795 /nfs/dbraw/zinc/28/77/95/833287795.db2.gz ABYRXDCUFMUVBN-ZBFHGGJFSA-N 2 1 332.448 -0.105 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001184434407 833330050 /nfs/dbraw/zinc/33/00/50/833330050.db2.gz XQIKGZLXCTVXKF-DGSCNEQVSA-N 2 1 348.447 -0.658 20 30 EBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1=O ZINC001131520422 829152657 /nfs/dbraw/zinc/15/26/57/829152657.db2.gz XSIRAUCOWYXCDU-DIODGJHASA-N 2 1 348.447 -0.658 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186367108 833398991 /nfs/dbraw/zinc/39/89/91/833398991.db2.gz LKFGIRBLRJVMCI-HUUCEWRRSA-N 2 1 336.436 -0.963 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135675443 830004174 /nfs/dbraw/zinc/00/41/74/830004174.db2.gz FZIIEBBCTIVPHV-LSDHHAIUSA-N 2 1 340.468 -0.116 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135675441 830004620 /nfs/dbraw/zinc/00/46/20/830004620.db2.gz FZIIEBBCTIVPHV-GJZGRUSLSA-N 2 1 340.468 -0.116 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147724230 830401419 /nfs/dbraw/zinc/40/14/19/830401419.db2.gz ICJBCLIYDTVBHG-GOEBONIOSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001148292891 830466834 /nfs/dbraw/zinc/46/68/34/830466834.db2.gz ZCSREWIFBKSEKS-CABCVRRESA-N 2 1 332.448 -0.532 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001148292891 830466837 /nfs/dbraw/zinc/46/68/37/830466837.db2.gz ZCSREWIFBKSEKS-CABCVRRESA-N 2 1 332.448 -0.532 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001148292891 830466842 /nfs/dbraw/zinc/46/68/42/830466842.db2.gz ZCSREWIFBKSEKS-CABCVRRESA-N 2 1 332.448 -0.532 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001148292891 830466844 /nfs/dbraw/zinc/46/68/44/830466844.db2.gz ZCSREWIFBKSEKS-CABCVRRESA-N 2 1 332.448 -0.532 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001148292893 830466911 /nfs/dbraw/zinc/46/69/11/830466911.db2.gz ZCSREWIFBKSEKS-HUUCEWRRSA-N 2 1 332.448 -0.532 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001148292893 830466913 /nfs/dbraw/zinc/46/69/13/830466913.db2.gz ZCSREWIFBKSEKS-HUUCEWRRSA-N 2 1 332.448 -0.532 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001148292893 830466916 /nfs/dbraw/zinc/46/69/16/830466916.db2.gz ZCSREWIFBKSEKS-HUUCEWRRSA-N 2 1 332.448 -0.532 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001148292893 830466917 /nfs/dbraw/zinc/46/69/17/830466917.db2.gz ZCSREWIFBKSEKS-HUUCEWRRSA-N 2 1 332.448 -0.532 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148748425 830537096 /nfs/dbraw/zinc/53/70/96/830537096.db2.gz SCOPMQCTRAFPAE-CABCVRRESA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001148748425 830537102 /nfs/dbraw/zinc/53/71/02/830537102.db2.gz SCOPMQCTRAFPAE-CABCVRRESA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148748425 830537107 /nfs/dbraw/zinc/53/71/07/830537107.db2.gz SCOPMQCTRAFPAE-CABCVRRESA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCOCCO ZINC001153868530 831281921 /nfs/dbraw/zinc/28/19/21/831281921.db2.gz VJAYTNLHBUFNCL-CVEARBPZSA-N 2 1 325.453 -0.081 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCOCCO ZINC001153868530 831281930 /nfs/dbraw/zinc/28/19/30/831281930.db2.gz VJAYTNLHBUFNCL-CVEARBPZSA-N 2 1 325.453 -0.081 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCOCCO ZINC001153868530 831281942 /nfs/dbraw/zinc/28/19/42/831281942.db2.gz VJAYTNLHBUFNCL-CVEARBPZSA-N 2 1 325.453 -0.081 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCOCCO ZINC001153868530 831281948 /nfs/dbraw/zinc/28/19/48/831281948.db2.gz VJAYTNLHBUFNCL-CVEARBPZSA-N 2 1 325.453 -0.081 20 30 EBEDMP C#C[C@](C)(N)C(=O)N1CC[C@H](N2CCOCC2)C[C@]1(C)C(=O)OC ZINC001159075262 831706851 /nfs/dbraw/zinc/70/68/51/831706851.db2.gz FLCULKMOTORULG-RRQGHBQHSA-N 2 1 337.420 -0.408 20 30 EBEDMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)CC2 ZINC001165270847 832209657 /nfs/dbraw/zinc/20/96/57/832209657.db2.gz HXHCGMREHVCKQO-ZDUSSCGKSA-N 2 1 332.408 -0.510 20 30 EBEDMP C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001169981998 832486811 /nfs/dbraw/zinc/48/68/11/832486811.db2.gz JBCUZPMRFOQETN-HUUCEWRRSA-N 2 1 340.468 -0.116 20 30 EBEDMP C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001169981998 832486817 /nfs/dbraw/zinc/48/68/17/832486817.db2.gz JBCUZPMRFOQETN-HUUCEWRRSA-N 2 1 340.468 -0.116 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001354470772 832490708 /nfs/dbraw/zinc/49/07/08/832490708.db2.gz IGPBDYGHAILZTL-GDBMZVCRSA-N 2 1 334.464 -0.096 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[N@H+](C)CC ZINC001170233436 832493651 /nfs/dbraw/zinc/49/36/51/832493651.db2.gz OHHKPPLFGXTMIT-ZDUSSCGKSA-N 2 1 341.456 -0.176 20 30 EBEDMP C[N@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190195377 834243163 /nfs/dbraw/zinc/24/31/63/834243163.db2.gz FXAJGGUSMLBGLL-LSDHHAIUSA-N 2 1 333.436 -0.499 20 30 EBEDMP C[N@@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190195377 834243166 /nfs/dbraw/zinc/24/31/66/834243166.db2.gz FXAJGGUSMLBGLL-LSDHHAIUSA-N 2 1 333.436 -0.499 20 30 EBEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193461250 834881130 /nfs/dbraw/zinc/88/11/30/834881130.db2.gz GZSOBRLLYZWAKY-AWEZNQCLSA-N 2 1 326.441 -0.601 20 30 EBEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193461250 834881139 /nfs/dbraw/zinc/88/11/39/834881139.db2.gz GZSOBRLLYZWAKY-AWEZNQCLSA-N 2 1 326.441 -0.601 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCS(C)(=O)=O)CC1 ZINC001201094389 836093745 /nfs/dbraw/zinc/09/37/45/836093745.db2.gz RRDWYUUOBUSEKL-HNNXBMFYSA-N 2 1 341.477 -0.291 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCS(C)(=O)=O)CC1 ZINC001201094389 836093755 /nfs/dbraw/zinc/09/37/55/836093755.db2.gz RRDWYUUOBUSEKL-HNNXBMFYSA-N 2 1 341.477 -0.291 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203732468 836469151 /nfs/dbraw/zinc/46/91/51/836469151.db2.gz YWARPWQPJGAAGJ-GJZGRUSLSA-N 2 1 343.431 -0.042 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001205479560 836570273 /nfs/dbraw/zinc/57/02/73/836570273.db2.gz OYDQWAKKGRKZHN-AWEZNQCLSA-N 2 1 349.435 -0.893 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001205479560 836570275 /nfs/dbraw/zinc/57/02/75/836570275.db2.gz OYDQWAKKGRKZHN-AWEZNQCLSA-N 2 1 349.435 -0.893 20 30 EBEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1 ZINC001206281349 836635173 /nfs/dbraw/zinc/63/51/73/836635173.db2.gz JPNSLJVRGIKXTB-DZGCQCFKSA-N 2 1 335.452 -0.348 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001206281117 836635731 /nfs/dbraw/zinc/63/57/31/836635731.db2.gz BHXXLYOHNZIFBR-GOEBONIOSA-N 2 1 334.464 -0.238 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001208352575 837003928 /nfs/dbraw/zinc/00/39/28/837003928.db2.gz IVGRNRKWVULSFK-KGLIPLIRSA-N 2 1 349.435 -0.880 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001208352575 837003939 /nfs/dbraw/zinc/00/39/39/837003939.db2.gz IVGRNRKWVULSFK-KGLIPLIRSA-N 2 1 349.435 -0.880 20 30 EBEDMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001209241235 837142189 /nfs/dbraw/zinc/14/21/89/837142189.db2.gz ALUNSUHUAXMYEK-SOUVJXGZSA-N 2 1 335.452 -0.063 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(OC)nc1 ZINC001320236229 838721522 /nfs/dbraw/zinc/72/15/22/838721522.db2.gz XBZVRHJXWKMHHO-CVEARBPZSA-N 2 1 346.431 -0.246 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(OC)nc1 ZINC001320236229 838721526 /nfs/dbraw/zinc/72/15/26/838721526.db2.gz XBZVRHJXWKMHHO-CVEARBPZSA-N 2 1 346.431 -0.246 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001320755170 838830794 /nfs/dbraw/zinc/83/07/94/838830794.db2.gz CNMZTGRFITZHJP-CVEARBPZSA-N 2 1 332.448 -0.340 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001320755170 838830811 /nfs/dbraw/zinc/83/08/11/838830811.db2.gz CNMZTGRFITZHJP-CVEARBPZSA-N 2 1 332.448 -0.340 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCN1CCCC1=O ZINC001321098137 838907120 /nfs/dbraw/zinc/90/71/20/838907120.db2.gz TXBUKMQLCDISAP-CWDCEQMOSA-N 2 1 332.448 -0.032 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCN1CCCC1=O ZINC001321098137 838907125 /nfs/dbraw/zinc/90/71/25/838907125.db2.gz TXBUKMQLCDISAP-CWDCEQMOSA-N 2 1 332.448 -0.032 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC1CC1 ZINC001324174714 839602436 /nfs/dbraw/zinc/60/24/36/839602436.db2.gz IFORAHPYBQLBIY-CVEARBPZSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC1CC1 ZINC001324174714 839602440 /nfs/dbraw/zinc/60/24/40/839602440.db2.gz IFORAHPYBQLBIY-CVEARBPZSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CCN(C(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC[NH+](CCO)CC1 ZINC001324439939 839658097 /nfs/dbraw/zinc/65/80/97/839658097.db2.gz MROCMBFUAQKLGS-INIZCTEOSA-N 2 1 337.464 -0.127 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@](O)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001325139755 839795218 /nfs/dbraw/zinc/79/52/18/839795218.db2.gz BIPSBPCPMAXEMJ-PBHICJAKSA-N 2 1 338.452 -0.981 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@](O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001325139755 839795224 /nfs/dbraw/zinc/79/52/24/839795224.db2.gz BIPSBPCPMAXEMJ-PBHICJAKSA-N 2 1 338.452 -0.981 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)CC)C1 ZINC001325139755 839795229 /nfs/dbraw/zinc/79/52/29/839795229.db2.gz BIPSBPCPMAXEMJ-PBHICJAKSA-N 2 1 338.452 -0.981 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)CC)C1 ZINC001325139755 839795237 /nfs/dbraw/zinc/79/52/37/839795237.db2.gz BIPSBPCPMAXEMJ-PBHICJAKSA-N 2 1 338.452 -0.981 20 30 EBEDMP COCC#CC[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001327593683 840468509 /nfs/dbraw/zinc/46/85/09/840468509.db2.gz YZYNLWQIRCKUPR-FUHWJXTLSA-N 2 1 337.464 -0.079 20 30 EBEDMP C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001327968981 840560486 /nfs/dbraw/zinc/56/04/86/840560486.db2.gz FJYZWGBUJQYIKB-CQSZACIVSA-N 2 1 338.452 -0.410 20 30 EBEDMP C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001327968981 840560496 /nfs/dbraw/zinc/56/04/96/840560496.db2.gz FJYZWGBUJQYIKB-CQSZACIVSA-N 2 1 338.452 -0.410 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CCCOC)C2)CC1 ZINC001328116070 840591666 /nfs/dbraw/zinc/59/16/66/840591666.db2.gz HXQJYQUJXSWXCX-SFHVURJKSA-N 2 1 348.491 -0.051 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CCCOC)C2)CC1 ZINC001328116070 840591675 /nfs/dbraw/zinc/59/16/75/840591675.db2.gz HXQJYQUJXSWXCX-SFHVURJKSA-N 2 1 348.491 -0.051 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@H](C)c1nnnn1C ZINC001328354444 840659351 /nfs/dbraw/zinc/65/93/51/840659351.db2.gz SHVRXGVFFXVNFA-MJBXVCDLSA-N 2 1 333.440 -0.147 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@H](C)c1nnnn1C ZINC001328354444 840659355 /nfs/dbraw/zinc/65/93/55/840659355.db2.gz SHVRXGVFFXVNFA-MJBXVCDLSA-N 2 1 333.440 -0.147 20 30 EBEDMP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[N@H+](C)CC(=O)NCC#N)CC1 ZINC001328764252 840744125 /nfs/dbraw/zinc/74/41/25/840744125.db2.gz JNBSQPKYCWVIFO-CQSZACIVSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC(=O)NCC#N)CC1 ZINC001328764252 840744134 /nfs/dbraw/zinc/74/41/34/840744134.db2.gz JNBSQPKYCWVIFO-CQSZACIVSA-N 2 1 335.452 -0.109 20 30 EBEDMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001329257147 840883736 /nfs/dbraw/zinc/88/37/36/840883736.db2.gz XPIVLPVETLFRFH-NFOMZHRRSA-N 2 1 335.452 -0.063 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001331803973 841504977 /nfs/dbraw/zinc/50/49/77/841504977.db2.gz JZKHTOUKBDHIHN-HUUCEWRRSA-N 2 1 338.452 -0.935 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001331803973 841504990 /nfs/dbraw/zinc/50/49/90/841504990.db2.gz JZKHTOUKBDHIHN-HUUCEWRRSA-N 2 1 338.452 -0.935 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnn(C)c1 ZINC001332522974 841659414 /nfs/dbraw/zinc/65/94/14/841659414.db2.gz RYDNHMARPYJQKD-CVEARBPZSA-N 2 1 333.436 -0.573 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnn(C)c1 ZINC001332522974 841659423 /nfs/dbraw/zinc/65/94/23/841659423.db2.gz RYDNHMARPYJQKD-CVEARBPZSA-N 2 1 333.436 -0.573 20 30 EBEDMP C[N@H+](CC(=O)NCC#N)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001692030143 1125843866 /nfs/dbraw/zinc/84/38/66/1125843866.db2.gz CWDUGMSVIQCFKX-UHFFFAOYSA-N 2 1 335.452 -0.108 20 30 EBEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001481124329 1125927452 /nfs/dbraw/zinc/92/74/52/1125927452.db2.gz OTKAGOURNKBALX-CABCVRRESA-N 2 1 338.452 -0.553 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001482143308 1126086641 /nfs/dbraw/zinc/08/66/41/1126086641.db2.gz NLIMGRXKMNUPTH-ZFWWWQNUSA-N 2 1 345.447 -0.155 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCS(C)(=O)=O ZINC001482297959 1126122395 /nfs/dbraw/zinc/12/23/95/1126122395.db2.gz QROPBKNIDPWKQP-CABCVRRESA-N 2 1 343.493 -0.045 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCS(C)(=O)=O ZINC001482297959 1126122398 /nfs/dbraw/zinc/12/23/98/1126122398.db2.gz QROPBKNIDPWKQP-CABCVRRESA-N 2 1 343.493 -0.045 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001484409263 1126570195 /nfs/dbraw/zinc/57/01/95/1126570195.db2.gz MJBWSLBLWNFXGG-GASCZTMLSA-N 2 1 332.448 -0.390 20 30 EBEDMP COCC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001484447401 1126585344 /nfs/dbraw/zinc/58/53/44/1126585344.db2.gz IKBAJVOGPRAORQ-FUHWJXTLSA-N 2 1 337.464 -0.079 20 30 EBEDMP COCC#CC[N@H+]1CCC[C@@](CO)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001484447401 1126585346 /nfs/dbraw/zinc/58/53/46/1126585346.db2.gz IKBAJVOGPRAORQ-FUHWJXTLSA-N 2 1 337.464 -0.079 20 30 EBEDMP COCC#CC[NH+]1CCC[C@@](CO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001484447401 1126585348 /nfs/dbraw/zinc/58/53/48/1126585348.db2.gz IKBAJVOGPRAORQ-FUHWJXTLSA-N 2 1 337.464 -0.079 20 30 EBEDMP COCC#CC[NH+]1CCC[C@@](CO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484447401 1126585351 /nfs/dbraw/zinc/58/53/51/1126585351.db2.gz IKBAJVOGPRAORQ-FUHWJXTLSA-N 2 1 337.464 -0.079 20 30 EBEDMP COCC#CC[N@@H+]1CCC[C@](CO)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001484447403 1126585376 /nfs/dbraw/zinc/58/53/76/1126585376.db2.gz IKBAJVOGPRAORQ-WMZOPIPTSA-N 2 1 337.464 -0.079 20 30 EBEDMP COCC#CC[N@H+]1CCC[C@](CO)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001484447403 1126585378 /nfs/dbraw/zinc/58/53/78/1126585378.db2.gz IKBAJVOGPRAORQ-WMZOPIPTSA-N 2 1 337.464 -0.079 20 30 EBEDMP COCC#CC[NH+]1CCC[C@](CO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001484447403 1126585380 /nfs/dbraw/zinc/58/53/80/1126585380.db2.gz IKBAJVOGPRAORQ-WMZOPIPTSA-N 2 1 337.464 -0.079 20 30 EBEDMP COCC#CC[NH+]1CCC[C@](CO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484447403 1126585381 /nfs/dbraw/zinc/58/53/81/1126585381.db2.gz IKBAJVOGPRAORQ-WMZOPIPTSA-N 2 1 337.464 -0.079 20 30 EBEDMP COCC#CC[NH2+]CC1(O)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001484963768 1126657095 /nfs/dbraw/zinc/65/70/95/1126657095.db2.gz UUXAKIFBZNXYBS-MRXNPFEDSA-N 2 1 337.464 -0.079 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001485038603 1126669266 /nfs/dbraw/zinc/66/92/66/1126669266.db2.gz SFKQPUIWCIMSHQ-AWEZNQCLSA-N 2 1 332.408 -0.198 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001485648815 1126776623 /nfs/dbraw/zinc/77/66/23/1126776623.db2.gz CESZEXBCQBPDFO-LSDHHAIUSA-N 2 1 338.452 -0.719 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001485834977 1126889712 /nfs/dbraw/zinc/88/97/12/1126889712.db2.gz UTTKIIMVVJJYRO-AWEZNQCLSA-N 2 1 332.408 -0.342 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001485997619 1126960497 /nfs/dbraw/zinc/96/04/97/1126960497.db2.gz PNFGTRIFWVLRSO-AWEZNQCLSA-N 2 1 338.452 -0.933 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2cnn(C)n2)CC1 ZINC001486318335 1127120481 /nfs/dbraw/zinc/12/04/81/1127120481.db2.gz RLTODHATXJHYDW-INIZCTEOSA-N 2 1 348.451 -0.931 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@@]3(C)C2)CC1 ZINC001092300512 1128222618 /nfs/dbraw/zinc/22/26/18/1128222618.db2.gz YPRSMOYOCUAAPX-GMBSWORKSA-N 2 1 346.475 -0.014 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CCOCCO)CC1 ZINC001488698217 1128828237 /nfs/dbraw/zinc/82/82/37/1128828237.db2.gz IKMYLTSDGJLFOV-KRWDZBQOSA-N 2 1 337.464 -0.127 20 30 EBEDMP C[NH+](C)CCCC(=O)N[C@H]1CC12CC[NH+](CC(=O)NCC#N)CC2 ZINC001490598032 1129232800 /nfs/dbraw/zinc/23/28/00/1129232800.db2.gz DNWWGYHSJWGZSM-AWEZNQCLSA-N 2 1 335.452 -0.061 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001491254491 1130373430 /nfs/dbraw/zinc/37/34/30/1130373430.db2.gz SFKQPUIWCIMSHQ-CQSZACIVSA-N 2 1 332.408 -0.198 20 30 EBEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N1CCN(c2ncccn2)CC1 ZINC000088686542 377008678 /nfs/dbraw/zinc/00/86/78/377008678.db2.gz KTAMECUTRPGPMJ-HNNXBMFYSA-N 2 1 346.483 -0.580 20 30 EBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000339491667 378926013 /nfs/dbraw/zinc/92/60/13/378926013.db2.gz JLTPGJHPXYIBBT-UHFFFAOYSA-N 2 1 338.452 -0.409 20 30 EBEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261658046 379221338 /nfs/dbraw/zinc/22/13/38/379221338.db2.gz FQVDPXQRNNVJRG-ZDUSSCGKSA-N 2 1 333.440 -0.404 20 30 EBEDMP [NH2+]=C(NCC[N@@H+]1CCCOCC1)N1CCN(c2ncccn2)CC1 ZINC000262763302 379239046 /nfs/dbraw/zinc/23/90/46/379239046.db2.gz GRMYYIUNTIZHTB-UHFFFAOYSA-N 2 1 333.440 -0.364 20 30 EBEDMP [NH2+]=C(NCC[N@H+]1CCCOCC1)N1CCN(c2ncccn2)CC1 ZINC000262763302 379239056 /nfs/dbraw/zinc/23/90/56/379239056.db2.gz GRMYYIUNTIZHTB-UHFFFAOYSA-N 2 1 333.440 -0.364 20 30 EBEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCn1c2ccccc2[nH]c1=O ZINC000267611126 379268435 /nfs/dbraw/zinc/26/84/35/379268435.db2.gz GUZYZNBTRYLBIU-UHFFFAOYSA-N 2 1 346.435 -0.044 20 30 EBEDMP C[C@H]1CC[NH+](CC(=O)NCC#CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000654991817 420846880 /nfs/dbraw/zinc/84/68/80/420846880.db2.gz JTYCPLGQCFBNHA-HOTGVXAUSA-N 2 1 334.464 -0.094 20 30 EBEDMP CO[C@@]1(CO)CCCN(CC#CC[N@H+]2CCC[C@](CO)(OC)C2)C1 ZINC000661390994 421066984 /nfs/dbraw/zinc/06/69/84/421066984.db2.gz DKOGWJAAAXPNAZ-ROUUACIJSA-N 2 1 340.464 -0.064 20 30 EBEDMP CO[C@@]1(CO)CCC[NH+](CC#CC[N@H+]2CCC[C@](CO)(OC)C2)C1 ZINC000661390994 421066989 /nfs/dbraw/zinc/06/69/89/421066989.db2.gz DKOGWJAAAXPNAZ-ROUUACIJSA-N 2 1 340.464 -0.064 20 30 EBEDMP CO[C@@]1(CO)CCC[NH+](CC#CC[N@@H+]2CCC[C@](CO)(OC)C2)C1 ZINC000661390994 421066994 /nfs/dbraw/zinc/06/69/94/421066994.db2.gz DKOGWJAAAXPNAZ-ROUUACIJSA-N 2 1 340.464 -0.064 20 30 EBEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CCC[N@H+]1CCCO ZINC000849112942 584166048 /nfs/dbraw/zinc/16/60/48/584166048.db2.gz FVTVQMBGXNYJHO-OAHLLOKOSA-N 2 1 327.473 -0.670 20 30 EBEDMP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000852869174 584218317 /nfs/dbraw/zinc/21/83/17/584218317.db2.gz YDPWBDOQAMXUGT-QGZVFWFLSA-N 2 1 334.464 -0.488 20 30 EBEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000884127639 584614876 /nfs/dbraw/zinc/61/48/76/584614876.db2.gz JHQREEWSSCAZQN-JKSUJKDBSA-N 2 1 349.479 -0.029 20 30 EBEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000884127639 584614879 /nfs/dbraw/zinc/61/48/79/584614879.db2.gz JHQREEWSSCAZQN-JKSUJKDBSA-N 2 1 349.479 -0.029 20 30 EBEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000884127639 584614882 /nfs/dbraw/zinc/61/48/82/584614882.db2.gz JHQREEWSSCAZQN-JKSUJKDBSA-N 2 1 349.479 -0.029 20 30 EBEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000884127639 584614885 /nfs/dbraw/zinc/61/48/85/584614885.db2.gz JHQREEWSSCAZQN-JKSUJKDBSA-N 2 1 349.479 -0.029 20 30 EBEDMP C#CCN1CCC[C@H](NC(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)C1 ZINC000890362625 584694269 /nfs/dbraw/zinc/69/42/69/584694269.db2.gz FUWUARDAMLODQJ-GJZGRUSLSA-N 2 1 336.436 -0.170 20 30 EBEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@H]1CCc2nc(COC)nn2C1 ZINC000261988171 649986187 /nfs/dbraw/zinc/98/61/87/649986187.db2.gz QQSSXIDFBBBAII-STQMWFEESA-N 2 1 335.456 -0.144 20 30 EBEDMP CN(C)C(=O)[C@@H]1CC[C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)O1 ZINC000305773772 649993905 /nfs/dbraw/zinc/99/39/05/649993905.db2.gz LZLKFYZVVQNWDJ-KGLIPLIRSA-N 2 1 341.456 -0.751 20 30 EBEDMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1C#N ZINC000912534970 650207127 /nfs/dbraw/zinc/20/71/27/650207127.db2.gz ILQSTVZGQALRLP-RRFJBIMHSA-N 2 1 333.436 -0.262 20 30 EBEDMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@@H](C#N)C1 ZINC000912534970 650207128 /nfs/dbraw/zinc/20/71/28/650207128.db2.gz ILQSTVZGQALRLP-RRFJBIMHSA-N 2 1 333.436 -0.262 20 30 EBEDMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@@H](C#N)C1 ZINC000912534970 650207130 /nfs/dbraw/zinc/20/71/30/650207130.db2.gz ILQSTVZGQALRLP-RRFJBIMHSA-N 2 1 333.436 -0.262 20 30 EBEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000941413877 652722918 /nfs/dbraw/zinc/72/29/18/652722918.db2.gz IDORWMQTPHFZLE-WMZOPIPTSA-N 2 1 346.475 -0.299 20 30 EBEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000941413877 652722923 /nfs/dbraw/zinc/72/29/23/652722923.db2.gz IDORWMQTPHFZLE-WMZOPIPTSA-N 2 1 346.475 -0.299 20 30 EBEDMP C#CCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000958077196 722301631 /nfs/dbraw/zinc/30/16/31/722301631.db2.gz RHYLRLXITVDJHO-ZBFHGGJFSA-N 2 1 333.436 -0.510 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N2CCC2)CC1 ZINC000996686021 726422297 /nfs/dbraw/zinc/42/22/97/726422297.db2.gz RSDHCNWBEMMLKA-INIZCTEOSA-N 2 1 332.448 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N2CCC2)CC1 ZINC000996686021 726422298 /nfs/dbraw/zinc/42/22/98/726422298.db2.gz RSDHCNWBEMMLKA-INIZCTEOSA-N 2 1 332.448 -0.103 20 30 EBEDMP C#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000996764146 726426028 /nfs/dbraw/zinc/42/60/28/726426028.db2.gz IUADSGUYWRPHBP-ABHNRTSZSA-N 2 1 348.491 -0.005 20 30 EBEDMP C#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000996764146 726426029 /nfs/dbraw/zinc/42/60/29/726426029.db2.gz IUADSGUYWRPHBP-ABHNRTSZSA-N 2 1 348.491 -0.005 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC000999393825 726518163 /nfs/dbraw/zinc/51/81/63/726518163.db2.gz YNNVBSYQRVCHLQ-HOTGVXAUSA-N 2 1 347.463 -0.310 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC000999393825 726518164 /nfs/dbraw/zinc/51/81/64/726518164.db2.gz YNNVBSYQRVCHLQ-HOTGVXAUSA-N 2 1 347.463 -0.310 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000999877530 726537401 /nfs/dbraw/zinc/53/74/01/726537401.db2.gz ONUMQTIBJYRPNP-ZBFHGGJFSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000999877530 726537402 /nfs/dbraw/zinc/53/74/02/726537402.db2.gz ONUMQTIBJYRPNP-ZBFHGGJFSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000999877530 726537403 /nfs/dbraw/zinc/53/74/03/726537403.db2.gz ONUMQTIBJYRPNP-ZBFHGGJFSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000999877530 726537404 /nfs/dbraw/zinc/53/74/04/726537404.db2.gz ONUMQTIBJYRPNP-ZBFHGGJFSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cnn(C)n3)C2)CC1 ZINC001019813645 728998265 /nfs/dbraw/zinc/99/82/65/728998265.db2.gz LDKRPINKKAVRLL-HNNXBMFYSA-N 2 1 330.436 -0.149 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC001022220465 729468381 /nfs/dbraw/zinc/46/83/81/729468381.db2.gz FPMFHPDIWQFEJA-QXSJWSMHSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC001022220465 729468382 /nfs/dbraw/zinc/46/83/82/729468382.db2.gz FPMFHPDIWQFEJA-QXSJWSMHSA-N 2 1 332.448 -0.058 20 30 EBEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001025719389 730078762 /nfs/dbraw/zinc/07/87/62/730078762.db2.gz QDPMPDMGOSBMBZ-LEOABGAYSA-N 2 1 348.447 -0.850 20 30 EBEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001025719389 730078764 /nfs/dbraw/zinc/07/87/64/730078764.db2.gz QDPMPDMGOSBMBZ-LEOABGAYSA-N 2 1 348.447 -0.850 20 30 EBEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+](C)CCO2)C1=O ZINC001025719389 730078766 /nfs/dbraw/zinc/07/87/66/730078766.db2.gz QDPMPDMGOSBMBZ-LEOABGAYSA-N 2 1 348.447 -0.850 20 30 EBEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+](C)CCO2)C1=O ZINC001025719389 730078768 /nfs/dbraw/zinc/07/87/68/730078768.db2.gz QDPMPDMGOSBMBZ-LEOABGAYSA-N 2 1 348.447 -0.850 20 30 EBEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001026145746 730125080 /nfs/dbraw/zinc/12/50/80/730125080.db2.gz CIDWOHBXMYRKTE-OWYFMNJBSA-N 2 1 332.448 -0.229 20 30 EBEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001026145746 730125081 /nfs/dbraw/zinc/12/50/81/730125081.db2.gz CIDWOHBXMYRKTE-OWYFMNJBSA-N 2 1 332.448 -0.229 20 30 EBEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001026145746 730125082 /nfs/dbraw/zinc/12/50/82/730125082.db2.gz CIDWOHBXMYRKTE-OWYFMNJBSA-N 2 1 332.448 -0.229 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC2C[NH+]([C@H]3CCN(C)C3=O)C2)CC1 ZINC001032207535 730830199 /nfs/dbraw/zinc/83/01/99/730830199.db2.gz WGZWTDDHBGNISC-INIZCTEOSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC2C[NH+]([C@@H]3CCN(C)C3=O)C2)CC1 ZINC001032207536 730830250 /nfs/dbraw/zinc/83/02/50/730830250.db2.gz WGZWTDDHBGNISC-MRXNPFEDSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCCNC2=O)CC1 ZINC001032800276 730934362 /nfs/dbraw/zinc/93/43/62/730934362.db2.gz FECVWNQXGCCQPW-YESZJQIVSA-N 2 1 344.459 -0.105 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+]([C@H](C)C(=O)NC)C2)CC1 ZINC001033684605 731063145 /nfs/dbraw/zinc/06/31/45/731063145.db2.gz OXFPCQQFLUFCJM-ZBFHGGJFSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+]([C@H](C)C(=O)NC)C2)CC1 ZINC001033684605 731063149 /nfs/dbraw/zinc/06/31/49/731063149.db2.gz OXFPCQQFLUFCJM-ZBFHGGJFSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC001046037362 733821377 /nfs/dbraw/zinc/82/13/77/733821377.db2.gz XRUJRFMWKYWVTQ-MSOLQXFVSA-N 2 1 348.491 -0.051 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC001046037362 733821380 /nfs/dbraw/zinc/82/13/80/733821380.db2.gz XRUJRFMWKYWVTQ-MSOLQXFVSA-N 2 1 348.491 -0.051 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH+](CCOC)C2)CC1 ZINC001046037362 733821382 /nfs/dbraw/zinc/82/13/82/733821382.db2.gz XRUJRFMWKYWVTQ-MSOLQXFVSA-N 2 1 348.491 -0.051 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH+](CCOC)C2)CC1 ZINC001046037362 733821384 /nfs/dbraw/zinc/82/13/84/733821384.db2.gz XRUJRFMWKYWVTQ-MSOLQXFVSA-N 2 1 348.491 -0.051 20 30 EBEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039272 733823793 /nfs/dbraw/zinc/82/37/93/733823793.db2.gz VHSZCNGLCSVDBC-BRWVUGGUSA-N 2 1 334.464 -0.443 20 30 EBEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039272 733823797 /nfs/dbraw/zinc/82/37/97/733823797.db2.gz VHSZCNGLCSVDBC-BRWVUGGUSA-N 2 1 334.464 -0.443 20 30 EBEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039272 733823798 /nfs/dbraw/zinc/82/37/98/733823798.db2.gz VHSZCNGLCSVDBC-BRWVUGGUSA-N 2 1 334.464 -0.443 20 30 EBEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039272 733823801 /nfs/dbraw/zinc/82/38/01/733823801.db2.gz VHSZCNGLCSVDBC-BRWVUGGUSA-N 2 1 334.464 -0.443 20 30 EBEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001047463711 734207891 /nfs/dbraw/zinc/20/78/91/734207891.db2.gz OIQNLPZBTNHBDN-BFKWJSRZSA-N 2 1 335.448 -0.071 20 30 EBEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001047463711 734207892 /nfs/dbraw/zinc/20/78/92/734207892.db2.gz OIQNLPZBTNHBDN-BFKWJSRZSA-N 2 1 335.448 -0.071 20 30 EBEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001047463711 734207893 /nfs/dbraw/zinc/20/78/93/734207893.db2.gz OIQNLPZBTNHBDN-BFKWJSRZSA-N 2 1 335.448 -0.071 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(N)=O)CC1 ZINC001049913573 734806860 /nfs/dbraw/zinc/80/68/60/734806860.db2.gz CTNXNFXQLJQGRR-HOTGVXAUSA-N 2 1 332.448 -0.118 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(N)=O)CC1 ZINC001049913573 734806862 /nfs/dbraw/zinc/80/68/62/734806862.db2.gz CTNXNFXQLJQGRR-HOTGVXAUSA-N 2 1 332.448 -0.118 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NC)CC2 ZINC001050550014 734923640 /nfs/dbraw/zinc/92/36/40/734923640.db2.gz GSFDSXYFQPHBLX-HNNXBMFYSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NC)CC2 ZINC001050550014 734923642 /nfs/dbraw/zinc/92/36/42/734923642.db2.gz GSFDSXYFQPHBLX-HNNXBMFYSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001054296191 736187649 /nfs/dbraw/zinc/18/76/49/736187649.db2.gz RSHQHNMQFYPRDW-OAGGEKHMSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001054296191 736187651 /nfs/dbraw/zinc/18/76/51/736187651.db2.gz RSHQHNMQFYPRDW-OAGGEKHMSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070566411 740865509 /nfs/dbraw/zinc/86/55/09/740865509.db2.gz ODQJEPAZVAPFHH-UAGQMJEPSA-N 2 1 345.447 -0.342 20 30 EBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070566411 740865511 /nfs/dbraw/zinc/86/55/11/740865511.db2.gz ODQJEPAZVAPFHH-UAGQMJEPSA-N 2 1 345.447 -0.342 20 30 EBEDMP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001070999813 741027058 /nfs/dbraw/zinc/02/70/58/741027058.db2.gz BMSSAKAEDVDCHQ-HZPDHXFCSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001070999813 741027063 /nfs/dbraw/zinc/02/70/63/741027063.db2.gz BMSSAKAEDVDCHQ-HZPDHXFCSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001070999813 741027067 /nfs/dbraw/zinc/02/70/67/741027067.db2.gz BMSSAKAEDVDCHQ-HZPDHXFCSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001070999813 741027073 /nfs/dbraw/zinc/02/70/73/741027073.db2.gz BMSSAKAEDVDCHQ-HZPDHXFCSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(=O)NC)C[C@H]32)CC1 ZINC000979085048 805126829 /nfs/dbraw/zinc/12/68/29/805126829.db2.gz FAMLPQURDGLJTL-DZUCGIPZSA-N 2 1 346.475 -0.240 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)[C@H]2CCNC2=O)CC1 ZINC000985476391 807517277 /nfs/dbraw/zinc/51/72/77/807517277.db2.gz RVGQDWKELURHQX-HOTGVXAUSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC000985476391 807517283 /nfs/dbraw/zinc/51/72/83/807517283.db2.gz RVGQDWKELURHQX-HOTGVXAUSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)[C@H]2CCNC2=O)CC1 ZINC000985476391 807517288 /nfs/dbraw/zinc/51/72/88/807517288.db2.gz RVGQDWKELURHQX-HOTGVXAUSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)[C@H]2CCNC2=O)CC1 ZINC000985476391 807517295 /nfs/dbraw/zinc/51/72/95/807517295.db2.gz RVGQDWKELURHQX-HOTGVXAUSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC000990514650 808819987 /nfs/dbraw/zinc/81/99/87/808819987.db2.gz QZQVRQQQLPHMOD-MRXNPFEDSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOC(C)C)C[C@@H]2O)CC1 ZINC001221079270 811367746 /nfs/dbraw/zinc/36/77/46/811367746.db2.gz QYLPYJDLFJKALJ-SJORKVTESA-N 2 1 337.464 -0.082 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CC(=O)NCC#N)CC2)CC[N@@H+]1C ZINC001227454806 811923410 /nfs/dbraw/zinc/92/34/10/811923410.db2.gz VFSSYHQKOWEOTN-LSDHHAIUSA-N 2 1 335.452 -0.063 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CC(=O)NCC#N)CC2)CC[N@H+]1C ZINC001227454806 811923415 /nfs/dbraw/zinc/92/34/15/811923415.db2.gz VFSSYHQKOWEOTN-LSDHHAIUSA-N 2 1 335.452 -0.063 20 30 EBEDMP C#CCOC[C@@H](O)C[NH+]1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001251840622 812635103 /nfs/dbraw/zinc/63/51/03/812635103.db2.gz RGIWRCVVXWLFIE-IXDOHACOSA-N 2 1 326.437 -0.334 20 30 EBEDMP C#CCOC[C@@H](O)C[N@@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001251840622 812635108 /nfs/dbraw/zinc/63/51/08/812635108.db2.gz RGIWRCVVXWLFIE-IXDOHACOSA-N 2 1 326.437 -0.334 20 30 EBEDMP C#CCOC[C@@H](O)C[N@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001251840622 812635110 /nfs/dbraw/zinc/63/51/10/812635110.db2.gz RGIWRCVVXWLFIE-IXDOHACOSA-N 2 1 326.437 -0.334 20 30 EBEDMP C#CCOC[C@H](O)C[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001251840746 812635468 /nfs/dbraw/zinc/63/54/68/812635468.db2.gz UOEKSRABGPNNPO-QGZVFWFLSA-N 2 1 347.459 -0.179 20 30 EBEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001264080927 813149515 /nfs/dbraw/zinc/14/95/15/813149515.db2.gz ZVFJXAZLCVTXGV-KRWDZBQOSA-N 2 1 347.463 -0.023 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001264408520 813172216 /nfs/dbraw/zinc/17/22/16/813172216.db2.gz KRPJUOAGYLTCGJ-XUWVNRHRSA-N 2 1 334.464 -0.050 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001264566697 813181431 /nfs/dbraw/zinc/18/14/31/813181431.db2.gz DYSRBPQHYCBTFW-OAGGEKHMSA-N 2 1 334.464 -0.096 20 30 EBEDMP C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001264566607 813181723 /nfs/dbraw/zinc/18/17/23/813181723.db2.gz AIVXQMUDVXOSCC-ILXRZTDVSA-N 2 1 335.452 -0.205 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC)[C@@H]1CCC(=O)NC1=O ZINC001266050882 813447155 /nfs/dbraw/zinc/44/71/55/813447155.db2.gz JADNHSYPLAFMOP-LSDHHAIUSA-N 2 1 348.447 -0.283 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC)[C@@H]1CCC(=O)NC1=O ZINC001266050882 813447158 /nfs/dbraw/zinc/44/71/58/813447158.db2.gz JADNHSYPLAFMOP-LSDHHAIUSA-N 2 1 348.447 -0.283 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)[C@@H]1CCC(=O)NC1=O ZINC001266050882 813447164 /nfs/dbraw/zinc/44/71/64/813447164.db2.gz JADNHSYPLAFMOP-LSDHHAIUSA-N 2 1 348.447 -0.283 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)[C@@H]1CCC(=O)NC1=O ZINC001266050882 813447167 /nfs/dbraw/zinc/44/71/67/813447167.db2.gz JADNHSYPLAFMOP-LSDHHAIUSA-N 2 1 348.447 -0.283 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001266079044 813452095 /nfs/dbraw/zinc/45/20/95/813452095.db2.gz NGFLCAQEVWVUEO-KBPBESRZSA-N 2 1 332.408 -0.152 20 30 EBEDMP N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001266626401 813626893 /nfs/dbraw/zinc/62/68/93/813626893.db2.gz IISOWOQINUKUGE-TUVASFSCSA-N 2 1 333.436 -0.120 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266901119 813695909 /nfs/dbraw/zinc/69/59/09/813695909.db2.gz RPRQJDBDXAMVJR-SOKJMZBUSA-N 2 1 344.459 -0.488 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC001266902405 813697292 /nfs/dbraw/zinc/69/72/92/813697292.db2.gz VLANXUUFCPUSNI-OWYFMNJBSA-N 2 1 332.448 -0.345 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266902405 813697297 /nfs/dbraw/zinc/69/72/97/813697297.db2.gz VLANXUUFCPUSNI-OWYFMNJBSA-N 2 1 332.448 -0.345 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001266902405 813697300 /nfs/dbraw/zinc/69/73/00/813697300.db2.gz VLANXUUFCPUSNI-OWYFMNJBSA-N 2 1 332.448 -0.345 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267552540 813928172 /nfs/dbraw/zinc/92/81/72/813928172.db2.gz OOCKFUDOWJBDQF-CQSZACIVSA-N 2 1 332.408 -0.341 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267552540 813928176 /nfs/dbraw/zinc/92/81/76/813928176.db2.gz OOCKFUDOWJBDQF-CQSZACIVSA-N 2 1 332.408 -0.341 20 30 EBEDMP C#CCNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001267589280 813944079 /nfs/dbraw/zinc/94/40/79/813944079.db2.gz IMVHLFHOFBVRGY-JKSUJKDBSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267589280 813944085 /nfs/dbraw/zinc/94/40/85/813944085.db2.gz IMVHLFHOFBVRGY-JKSUJKDBSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267589280 813944090 /nfs/dbraw/zinc/94/40/90/813944090.db2.gz IMVHLFHOFBVRGY-JKSUJKDBSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001082568074 813970189 /nfs/dbraw/zinc/97/01/89/813970189.db2.gz WASJBZOJWSJBFJ-OAGGEKHMSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001082568074 813970193 /nfs/dbraw/zinc/97/01/93/813970193.db2.gz WASJBZOJWSJBFJ-OAGGEKHMSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268236762 814153266 /nfs/dbraw/zinc/15/32/66/814153266.db2.gz GQTDICHJRXPFAC-GOEBONIOSA-N 2 1 334.464 -0.144 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268236762 814153270 /nfs/dbraw/zinc/15/32/70/814153270.db2.gz GQTDICHJRXPFAC-GOEBONIOSA-N 2 1 334.464 -0.144 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001269079028 814518449 /nfs/dbraw/zinc/51/84/49/814518449.db2.gz BMMDYHYCTUDUMM-GJZGRUSLSA-N 2 1 331.420 -0.792 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001269079028 814518455 /nfs/dbraw/zinc/51/84/55/814518455.db2.gz BMMDYHYCTUDUMM-GJZGRUSLSA-N 2 1 331.420 -0.792 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](CC)OC)C[C@@H]2O)CC1 ZINC001084090244 815826621 /nfs/dbraw/zinc/82/66/21/815826621.db2.gz QSDDMKKHLORASA-BBWFWOEESA-N 2 1 337.464 -0.082 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]2C1 ZINC001271880310 816243108 /nfs/dbraw/zinc/24/31/08/816243108.db2.gz LCDQLQWJNHNCLV-MCIONIFRSA-N 2 1 329.404 -0.520 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC001273276944 816629043 /nfs/dbraw/zinc/62/90/43/816629043.db2.gz OFQJMALDSGJYID-HUUCEWRRSA-N 2 1 338.452 -0.410 20 30 EBEDMP C=CCN1C(=O)C[C@]2(CCC[N@H+](CC(=O)N3CCN(C)CC3)C2)C1=O ZINC001273835862 816779652 /nfs/dbraw/zinc/77/96/52/816779652.db2.gz KXNFWWOPRYFLPD-SFHVURJKSA-N 2 1 348.447 -0.213 20 30 EBEDMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NCC#N)CC2(C)C)C1 ZINC001274460085 816968969 /nfs/dbraw/zinc/96/89/69/816968969.db2.gz LAYJKJOYDBMMMY-ZIAGYGMSSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NCC#N)CC2(C)C)C1 ZINC001274460085 816968975 /nfs/dbraw/zinc/96/89/75/816968975.db2.gz LAYJKJOYDBMMMY-ZIAGYGMSSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)CC2(C)C)C1 ZINC001274460085 816968981 /nfs/dbraw/zinc/96/89/81/816968981.db2.gz LAYJKJOYDBMMMY-ZIAGYGMSSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)CC2(C)C)C1 ZINC001274460085 816968989 /nfs/dbraw/zinc/96/89/89/816968989.db2.gz LAYJKJOYDBMMMY-ZIAGYGMSSA-N 2 1 335.452 -0.205 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001274918656 817121240 /nfs/dbraw/zinc/12/12/40/817121240.db2.gz BGBGRYAIUOUJCP-TZMCWYRMSA-N 2 1 331.420 -0.402 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001275185419 817162566 /nfs/dbraw/zinc/16/25/66/817162566.db2.gz UUTXYWYLRNJVBB-ZNMIVQPWSA-N 2 1 330.436 -0.043 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001275185419 817162572 /nfs/dbraw/zinc/16/25/72/817162572.db2.gz UUTXYWYLRNJVBB-ZNMIVQPWSA-N 2 1 330.436 -0.043 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ccnc3)C[C@@H]2C1 ZINC001276839574 817481568 /nfs/dbraw/zinc/48/15/68/817481568.db2.gz KLWBMFUHMIVUAT-XHSDSOJGSA-N 2 1 343.431 -0.151 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001277937700 817658889 /nfs/dbraw/zinc/65/88/89/817658889.db2.gz HQRALGPMZHRRDN-HIFRSBDPSA-N 2 1 345.447 -0.060 20 30 EBEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001278787835 817831402 /nfs/dbraw/zinc/83/14/02/817831402.db2.gz WLTZGPCBNDQXSA-SFHVURJKSA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)N2CCC2)C1 ZINC001091075647 817863050 /nfs/dbraw/zinc/86/30/50/817863050.db2.gz SGARQBKIWQZWQJ-GPANFISMSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)N2CCC2)C1 ZINC001091075647 817863059 /nfs/dbraw/zinc/86/30/59/817863059.db2.gz SGARQBKIWQZWQJ-GPANFISMSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001279614547 817959360 /nfs/dbraw/zinc/95/93/60/817959360.db2.gz MYRTZQQVYHGKMD-GDBMZVCRSA-N 2 1 332.448 -0.033 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001279614547 817959367 /nfs/dbraw/zinc/95/93/67/817959367.db2.gz MYRTZQQVYHGKMD-GDBMZVCRSA-N 2 1 332.448 -0.033 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001279614547 817959372 /nfs/dbraw/zinc/95/93/72/817959372.db2.gz MYRTZQQVYHGKMD-GDBMZVCRSA-N 2 1 332.448 -0.033 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001279614547 817959377 /nfs/dbraw/zinc/95/93/77/817959377.db2.gz MYRTZQQVYHGKMD-GDBMZVCRSA-N 2 1 332.448 -0.033 20 30 EBEDMP C=CCNC(=O)C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001281282341 818133920 /nfs/dbraw/zinc/13/39/20/818133920.db2.gz AJJSHHLDHWUECY-AWEZNQCLSA-N 2 1 338.452 -0.505 20 30 EBEDMP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[N@H+](C)CC(=O)NCC#N ZINC001282410447 818406394 /nfs/dbraw/zinc/40/63/94/818406394.db2.gz CYXIYACOHCXUJC-AWEZNQCLSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[N@@H+](C)CC(=O)NCC#N ZINC001282410447 818406398 /nfs/dbraw/zinc/40/63/98/818406398.db2.gz CYXIYACOHCXUJC-AWEZNQCLSA-N 2 1 335.452 -0.061 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CCC([N@H+](C)CC(=O)NCC#N)CC1 ZINC001283340483 818765110 /nfs/dbraw/zinc/76/51/10/818765110.db2.gz KVTWIQQCDXPPTH-UHFFFAOYSA-N 2 1 332.408 -0.246 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CCC([N@@H+](C)CC(=O)NCC#N)CC1 ZINC001283340483 818765119 /nfs/dbraw/zinc/76/51/19/818765119.db2.gz KVTWIQQCDXPPTH-UHFFFAOYSA-N 2 1 332.408 -0.246 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1(C)C ZINC001284321664 819184248 /nfs/dbraw/zinc/18/42/48/819184248.db2.gz CDYSJISQTOAXBV-GJZGRUSLSA-N 2 1 334.464 -0.096 20 30 EBEDMP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[NH+](CC#CCOC)C[C@@H]1O ZINC001099899198 819866554 /nfs/dbraw/zinc/86/65/54/819866554.db2.gz OGXFSQJQUNFRGN-GJZGRUSLSA-N 2 1 325.453 -0.082 20 30 EBEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[NH+](CC#CCOC)C[C@@H]1O ZINC001099899198 819866567 /nfs/dbraw/zinc/86/65/67/819866567.db2.gz OGXFSQJQUNFRGN-GJZGRUSLSA-N 2 1 325.453 -0.082 20 30 EBEDMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[N@H+](CC#CCOC)C[C@@H]1O ZINC001099899198 819866580 /nfs/dbraw/zinc/86/65/80/819866580.db2.gz OGXFSQJQUNFRGN-GJZGRUSLSA-N 2 1 325.453 -0.082 20 30 EBEDMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CC#CCOC)C[C@@H]1O ZINC001099899198 819866587 /nfs/dbraw/zinc/86/65/87/819866587.db2.gz OGXFSQJQUNFRGN-GJZGRUSLSA-N 2 1 325.453 -0.082 20 30 EBEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100383064 820391112 /nfs/dbraw/zinc/39/11/12/820391112.db2.gz JJPOWYCTODUJBL-YMAMQOFZSA-N 2 1 335.452 -0.015 20 30 EBEDMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100418855 820414353 /nfs/dbraw/zinc/41/43/53/820414353.db2.gz JRUWWJVPEQUTBZ-YMAMQOFZSA-N 2 1 335.452 -0.015 20 30 EBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103718679 821345140 /nfs/dbraw/zinc/34/51/40/821345140.db2.gz ASEWPOZTGFNWFO-KFWWJZLASA-N 2 1 335.452 -0.348 20 30 EBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001103718679 821345147 /nfs/dbraw/zinc/34/51/47/821345147.db2.gz ASEWPOZTGFNWFO-KFWWJZLASA-N 2 1 335.452 -0.348 20 30 EBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001103718679 821345159 /nfs/dbraw/zinc/34/51/59/821345159.db2.gz ASEWPOZTGFNWFO-KFWWJZLASA-N 2 1 335.452 -0.348 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2C[C@@H](O)COC)CC1 ZINC001316609678 821813997 /nfs/dbraw/zinc/81/39/97/821813997.db2.gz FHSRQZHDDYAAKI-DLBZAZTESA-N 2 1 337.464 -0.128 20 30 EBEDMP COCC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001316745667 821843081 /nfs/dbraw/zinc/84/30/81/821843081.db2.gz IOECSCVWAUEHRQ-INIZCTEOSA-N 2 1 325.453 -0.127 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H](CNC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001317018431 821976073 /nfs/dbraw/zinc/97/60/73/821976073.db2.gz GAYJMFBDLUNYTE-ZFWWWQNUSA-N 2 1 331.420 -0.186 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001317097342 822001580 /nfs/dbraw/zinc/00/15/80/822001580.db2.gz SPEDURLJRJAUFF-KBUPBQIOSA-N 2 1 336.436 -0.918 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001317097342 822001584 /nfs/dbraw/zinc/00/15/84/822001584.db2.gz SPEDURLJRJAUFF-KBUPBQIOSA-N 2 1 336.436 -0.918 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001317663243 822196903 /nfs/dbraw/zinc/19/69/03/822196903.db2.gz DMHDGNVKTDVFSR-KBPBESRZSA-N 2 1 326.441 -0.554 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001317663243 822196907 /nfs/dbraw/zinc/19/69/07/822196907.db2.gz DMHDGNVKTDVFSR-KBPBESRZSA-N 2 1 326.441 -0.554 20 30 EBEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)COCC[NH+](C)C)nn2)C1 ZINC001107229897 823816166 /nfs/dbraw/zinc/81/61/66/823816166.db2.gz VPGRVCTVIZIFMG-UHFFFAOYSA-N 2 1 336.440 -0.095 20 30 EBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228150 828583447 /nfs/dbraw/zinc/58/34/47/828583447.db2.gz FVMHBKHAHGFKHE-CABCVRRESA-N 2 1 336.440 -0.226 20 30 EBEDMP C=CCOCC[N@@H+]1CCO[C@@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343773 824230808 /nfs/dbraw/zinc/23/08/08/824230808.db2.gz ZRJZNHMRTLPWTP-KRWDZBQOSA-N 2 1 343.468 -0.026 20 30 EBEDMP C=CCOCC[N@H+]1CCO[C@@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343773 824230815 /nfs/dbraw/zinc/23/08/15/824230815.db2.gz ZRJZNHMRTLPWTP-KRWDZBQOSA-N 2 1 343.468 -0.026 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001129775459 828668341 /nfs/dbraw/zinc/66/83/41/828668341.db2.gz ONDWGVYGUXNICB-HNNXBMFYSA-N 2 1 336.436 -0.915 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001129775459 828668344 /nfs/dbraw/zinc/66/83/44/828668344.db2.gz ONDWGVYGUXNICB-HNNXBMFYSA-N 2 1 336.436 -0.915 20 30 EBEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912462 828692304 /nfs/dbraw/zinc/69/23/04/828692304.db2.gz HLJKSUOGVIWYGV-LVQVYYBASA-N 2 1 348.451 -0.085 20 30 EBEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912462 828692307 /nfs/dbraw/zinc/69/23/07/828692307.db2.gz HLJKSUOGVIWYGV-LVQVYYBASA-N 2 1 348.451 -0.085 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001114426978 826244982 /nfs/dbraw/zinc/24/49/82/826244982.db2.gz WZUSZUHUQVHZSP-BSXFFOKHSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001114426978 826244986 /nfs/dbraw/zinc/24/49/86/826244986.db2.gz WZUSZUHUQVHZSP-BSXFFOKHSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[NH+]1C ZINC001114426978 826244990 /nfs/dbraw/zinc/24/49/90/826244990.db2.gz WZUSZUHUQVHZSP-BSXFFOKHSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[NH+]1C ZINC001114426978 826244994 /nfs/dbraw/zinc/24/49/94/826244994.db2.gz WZUSZUHUQVHZSP-BSXFFOKHSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC001115013890 826400367 /nfs/dbraw/zinc/40/03/67/826400367.db2.gz VKMIHEUHNPXGBW-HWWDLCQESA-N 2 1 332.448 -0.486 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC001115013890 826400368 /nfs/dbraw/zinc/40/03/68/826400368.db2.gz VKMIHEUHNPXGBW-HWWDLCQESA-N 2 1 332.448 -0.486 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC=C)C[C@H]32)CC1 ZINC001115290590 826496312 /nfs/dbraw/zinc/49/63/12/826496312.db2.gz XBSRLGRBCOQHGP-VQFNDLOPSA-N 2 1 344.459 -0.320 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC=C)C[C@H]32)CC1 ZINC001115290590 826496315 /nfs/dbraw/zinc/49/63/15/826496315.db2.gz XBSRLGRBCOQHGP-VQFNDLOPSA-N 2 1 344.459 -0.320 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)NC1CC2(C1)CC([NH2+]CC(=O)NCC#N)C2 ZINC001122186530 827540171 /nfs/dbraw/zinc/54/01/71/827540171.db2.gz UIHGQCGIQYEGGR-UHFFFAOYSA-N 2 1 344.419 -0.152 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001184321857 833327054 /nfs/dbraw/zinc/32/70/54/833327054.db2.gz WUDMMSXMSATSJC-CQSZACIVSA-N 2 1 343.431 -0.298 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186367109 833399046 /nfs/dbraw/zinc/39/90/46/833399046.db2.gz LKFGIRBLRJVMCI-LSDHHAIUSA-N 2 1 336.436 -0.963 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186825062 833431507 /nfs/dbraw/zinc/43/15/07/833431507.db2.gz XMQKYHDEYOQNHK-CYBMUJFWSA-N 2 1 339.440 -0.470 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001133890230 829694469 /nfs/dbraw/zinc/69/44/69/829694469.db2.gz LIIVUMZPQFGAMG-UHFFFAOYSA-N 2 1 333.392 -0.661 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001133917735 829699103 /nfs/dbraw/zinc/69/91/03/829699103.db2.gz DZSPAPJTCBCFIY-UHFFFAOYSA-N 2 1 330.432 -0.384 20 30 EBEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135340465 829947839 /nfs/dbraw/zinc/94/78/39/829947839.db2.gz BBPZJXDVULANTL-UHFFFAOYSA-N 2 1 338.452 -0.385 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001147724951 830401601 /nfs/dbraw/zinc/40/16/01/830401601.db2.gz OLZRAHYLATUDTC-UHFFFAOYSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001147724951 830401606 /nfs/dbraw/zinc/40/16/06/830401606.db2.gz OLZRAHYLATUDTC-UHFFFAOYSA-N 2 1 332.448 -0.246 20 30 EBEDMP C=CCNC(=O)C[N@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148605937 830518276 /nfs/dbraw/zinc/51/82/76/830518276.db2.gz YCDMQFBJTUSWRV-UHFFFAOYSA-N 2 1 338.452 -0.599 20 30 EBEDMP C=CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148605937 830518285 /nfs/dbraw/zinc/51/82/85/830518285.db2.gz YCDMQFBJTUSWRV-UHFFFAOYSA-N 2 1 338.452 -0.599 20 30 EBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001159877631 831792724 /nfs/dbraw/zinc/79/27/24/831792724.db2.gz QMMJZTFQHOUHPT-AWEZNQCLSA-N 2 1 336.440 -0.789 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O ZINC001160198213 831824951 /nfs/dbraw/zinc/82/49/51/831824951.db2.gz XHXPXWJABMJTIY-AWEZNQCLSA-N 2 1 344.481 -0.929 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O ZINC001160198213 831824959 /nfs/dbraw/zinc/82/49/59/831824959.db2.gz XHXPXWJABMJTIY-AWEZNQCLSA-N 2 1 344.481 -0.929 20 30 EBEDMP C[N@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001165764452 832236048 /nfs/dbraw/zinc/23/60/48/832236048.db2.gz QPJSBYIQTPWWHD-AWEZNQCLSA-N 2 1 335.452 -0.013 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166633119 832274743 /nfs/dbraw/zinc/27/47/43/832274743.db2.gz ADZDAVTWJBPELT-CYBMUJFWSA-N 2 1 339.440 -0.422 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166667626 832277525 /nfs/dbraw/zinc/27/75/25/832277525.db2.gz FMIOPUMUYWIVEM-ZDUSSCGKSA-N 2 1 339.440 -0.564 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001166707526 832281759 /nfs/dbraw/zinc/28/17/59/832281759.db2.gz GZYJQUWWSBZBJY-QWHCGFSZSA-N 2 1 339.440 -0.708 20 30 EBEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001167235862 832319853 /nfs/dbraw/zinc/31/98/53/832319853.db2.gz BCLDAVPCLRRJIX-ZIAGYGMSSA-N 2 1 335.452 -0.300 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001169990896 832488493 /nfs/dbraw/zinc/48/84/93/832488493.db2.gz KBEJSHZAWGMGSD-CABCVRRESA-N 2 1 338.452 -0.669 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001169990896 832488499 /nfs/dbraw/zinc/48/84/99/832488499.db2.gz KBEJSHZAWGMGSD-CABCVRRESA-N 2 1 338.452 -0.669 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CC[N@H+](C)CCC ZINC001171725249 832574277 /nfs/dbraw/zinc/57/42/77/832574277.db2.gz KBSRGCIXFCOQAH-UHFFFAOYSA-N 2 1 341.456 -0.174 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188964140 834110828 /nfs/dbraw/zinc/11/08/28/834110828.db2.gz WARWBATXUHPRSA-LSDHHAIUSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188964140 834110831 /nfs/dbraw/zinc/11/08/31/834110831.db2.gz WARWBATXUHPRSA-LSDHHAIUSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189018166 834116874 /nfs/dbraw/zinc/11/68/74/834116874.db2.gz FOKWTXHPYUWLAY-JKSUJKDBSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189018166 834116877 /nfs/dbraw/zinc/11/68/77/834116877.db2.gz FOKWTXHPYUWLAY-JKSUJKDBSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488509 834889389 /nfs/dbraw/zinc/88/93/89/834889389.db2.gz OFIDZXJVDKFDJS-HUUCEWRRSA-N 2 1 338.452 -0.765 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200115518 835910752 /nfs/dbraw/zinc/91/07/52/835910752.db2.gz NAPJNEKIRRPVDV-LSDHHAIUSA-N 2 1 336.436 -0.963 20 30 EBEDMP N#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001200658075 836011031 /nfs/dbraw/zinc/01/10/31/836011031.db2.gz GZQLYFQLVVLGNT-GJZGRUSLSA-N 2 1 349.435 -0.930 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)CCCO1 ZINC001201930186 836216172 /nfs/dbraw/zinc/21/61/72/836216172.db2.gz BLCRDERBZYQHNB-OAHLLOKOSA-N 2 1 338.452 -0.715 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202059896 836244799 /nfs/dbraw/zinc/24/47/99/836244799.db2.gz SKXXCVJWVYAZNQ-HUUCEWRRSA-N 2 1 338.452 -0.553 20 30 EBEDMP CC(C)[N@@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001202162926 836264613 /nfs/dbraw/zinc/26/46/13/836264613.db2.gz BZOVWFBVGKBOGZ-AWEZNQCLSA-N 2 1 339.440 -0.827 20 30 EBEDMP C[N@@H+](CC(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1)C1CCC1 ZINC001205469758 836568967 /nfs/dbraw/zinc/56/89/67/836568967.db2.gz WSFUMSVQGKBVQT-UHFFFAOYSA-N 2 1 335.452 -0.061 20 30 EBEDMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)NCC#N)C(C)C)C1 ZINC001319968733 838203474 /nfs/dbraw/zinc/20/34/74/838203474.db2.gz QLKOXQKAXCQPIX-KGLIPLIRSA-N 2 1 339.440 -0.923 20 30 EBEDMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)NCC#N)C(C)C)C1 ZINC001319968733 838203484 /nfs/dbraw/zinc/20/34/84/838203484.db2.gz QLKOXQKAXCQPIX-KGLIPLIRSA-N 2 1 339.440 -0.923 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001321697888 839056443 /nfs/dbraw/zinc/05/64/43/839056443.db2.gz WRAVZIOGVZVBKC-CYBMUJFWSA-N 2 1 340.387 -0.275 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCN1CCNC1=O)C1CC1 ZINC001323014431 839323259 /nfs/dbraw/zinc/32/32/59/839323259.db2.gz JRDWPXUWYYWSHI-HOTGVXAUSA-N 2 1 347.463 -0.406 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCN1CCNC1=O)C1CC1 ZINC001323014431 839323273 /nfs/dbraw/zinc/32/32/73/839323273.db2.gz JRDWPXUWYYWSHI-HOTGVXAUSA-N 2 1 347.463 -0.406 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@](O)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001325139756 839795146 /nfs/dbraw/zinc/79/51/46/839795146.db2.gz BIPSBPCPMAXEMJ-RHSMWYFYSA-N 2 1 338.452 -0.981 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@](O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001325139756 839795153 /nfs/dbraw/zinc/79/51/53/839795153.db2.gz BIPSBPCPMAXEMJ-RHSMWYFYSA-N 2 1 338.452 -0.981 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)CC)C1 ZINC001325139756 839795161 /nfs/dbraw/zinc/79/51/61/839795161.db2.gz BIPSBPCPMAXEMJ-RHSMWYFYSA-N 2 1 338.452 -0.981 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)CC)C1 ZINC001325139756 839795170 /nfs/dbraw/zinc/79/51/70/839795170.db2.gz BIPSBPCPMAXEMJ-RHSMWYFYSA-N 2 1 338.452 -0.981 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001325466817 839871391 /nfs/dbraw/zinc/87/13/91/839871391.db2.gz OMFOLHUFFMCTHQ-OCCSQVGLSA-N 2 1 332.408 -0.342 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3CC(=O)NCC#N)C1 ZINC001325914572 839973591 /nfs/dbraw/zinc/97/35/91/839973591.db2.gz BHKGKKXAJIVGOI-SOUVJXGZSA-N 2 1 333.436 -0.357 20 30 EBEDMP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CC(=O)NCC#N)C1 ZINC001325914572 839973604 /nfs/dbraw/zinc/97/36/04/839973604.db2.gz BHKGKKXAJIVGOI-SOUVJXGZSA-N 2 1 333.436 -0.357 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CC(=O)NCC#N)C1 ZINC001325914572 839973611 /nfs/dbraw/zinc/97/36/11/839973611.db2.gz BHKGKKXAJIVGOI-SOUVJXGZSA-N 2 1 333.436 -0.357 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(=O)NCC#N)C1 ZINC001325914572 839973615 /nfs/dbraw/zinc/97/36/15/839973615.db2.gz BHKGKKXAJIVGOI-SOUVJXGZSA-N 2 1 333.436 -0.357 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(=O)NCC#N)C1 ZINC001325914572 839973617 /nfs/dbraw/zinc/97/36/17/839973617.db2.gz BHKGKKXAJIVGOI-SOUVJXGZSA-N 2 1 333.436 -0.357 20 30 EBEDMP COCC#CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001327050110 840287005 /nfs/dbraw/zinc/28/70/05/840287005.db2.gz RYFXJRQVZUNIPZ-INIZCTEOSA-N 2 1 339.436 -0.825 20 30 EBEDMP C[N@H+]1CC[C@@H](CC(=O)N2CC3(C2)CCCN(CC(=O)NCC#N)C3)C1 ZINC001330512555 841225078 /nfs/dbraw/zinc/22/50/78/841225078.db2.gz WOIGZISLWHNSNZ-HNNXBMFYSA-N 2 1 347.463 -0.108 20 30 EBEDMP C[N@@H+]1CC[C@@H](CC(=O)N2CC3(C2)CCC[NH+](CC(=O)NCC#N)C3)C1 ZINC001330512555 841225080 /nfs/dbraw/zinc/22/50/80/841225080.db2.gz WOIGZISLWHNSNZ-HNNXBMFYSA-N 2 1 347.463 -0.108 20 30 EBEDMP C[N@H+]1CC[C@@H](CC(=O)N2CC3(C2)CCC[NH+](CC(=O)NCC#N)C3)C1 ZINC001330512555 841225091 /nfs/dbraw/zinc/22/50/91/841225091.db2.gz WOIGZISLWHNSNZ-HNNXBMFYSA-N 2 1 347.463 -0.108 20 30 EBEDMP C[NH+]1CC[C@@H](CC(=O)N2CC3(C2)CCC[N@H+](CC(=O)NCC#N)C3)C1 ZINC001330512555 841225097 /nfs/dbraw/zinc/22/50/97/841225097.db2.gz WOIGZISLWHNSNZ-HNNXBMFYSA-N 2 1 347.463 -0.108 20 30 EBEDMP C[NH+]1CC[C@@H](CC(=O)N2CC3(C2)CCC[N@@H+](CC(=O)NCC#N)C3)C1 ZINC001330512555 841225108 /nfs/dbraw/zinc/22/51/08/841225108.db2.gz WOIGZISLWHNSNZ-HNNXBMFYSA-N 2 1 347.463 -0.108 20 30 EBEDMP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001331427686 841406444 /nfs/dbraw/zinc/40/64/44/841406444.db2.gz VPDNSGILFYJJDO-CVEARBPZSA-N 2 1 337.468 -0.080 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001331803971 841504803 /nfs/dbraw/zinc/50/48/03/841504803.db2.gz JZKHTOUKBDHIHN-CABCVRRESA-N 2 1 338.452 -0.935 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001331803971 841504812 /nfs/dbraw/zinc/50/48/12/841504812.db2.gz JZKHTOUKBDHIHN-CABCVRRESA-N 2 1 338.452 -0.935 20 30 EBEDMP C#CC[N@@H+](C[C@H]1CNC(=O)C1)C1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC001333066709 841788274 /nfs/dbraw/zinc/78/82/74/841788274.db2.gz MCVXEKUHSVUJPP-LSDHHAIUSA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CC[N@H+](C[C@H]1CNC(=O)C1)C1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC001333066709 841788277 /nfs/dbraw/zinc/78/82/77/841788277.db2.gz MCVXEKUHSVUJPP-LSDHHAIUSA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(=O)NCC#N)C1 ZINC001333081445 841792052 /nfs/dbraw/zinc/79/20/52/841792052.db2.gz HFUIPQCHBLMQPX-NRXISQOPSA-N 2 1 331.420 -0.697 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(=O)NCC#N)C1 ZINC001333081445 841792056 /nfs/dbraw/zinc/79/20/56/841792056.db2.gz HFUIPQCHBLMQPX-NRXISQOPSA-N 2 1 331.420 -0.697 20 30 EBEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)C1 ZINC001333679547 841925633 /nfs/dbraw/zinc/92/56/33/841925633.db2.gz ZCTFKHMVFLWUCE-HUUCEWRRSA-N 2 1 335.452 -0.155 20 30 EBEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)C1 ZINC001333679547 841925641 /nfs/dbraw/zinc/92/56/41/841925641.db2.gz ZCTFKHMVFLWUCE-HUUCEWRRSA-N 2 1 335.452 -0.155 20 30 EBEDMP C=CC[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CC1 ZINC001340852595 843036581 /nfs/dbraw/zinc/03/65/81/843036581.db2.gz IGDIQNVRFPVHTI-WFASDCNBSA-N 2 1 327.450 -0.613 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001482143146 1126086784 /nfs/dbraw/zinc/08/67/84/1126086784.db2.gz NLIMGRXKMNUPTH-DZGCQCFKSA-N 2 1 345.447 -0.155 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001482762046 1126280409 /nfs/dbraw/zinc/28/04/09/1126280409.db2.gz IXOKGRGRDAJQEK-HIFRSBDPSA-N 2 1 349.435 -0.877 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCS(C)(=O)=O ZINC001483020167 1126313879 /nfs/dbraw/zinc/31/38/79/1126313879.db2.gz WTKNZEJSTCJKJU-NNTXTVRGSA-N 2 1 327.450 -0.609 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCS(C)(=O)=O ZINC001483020167 1126313881 /nfs/dbraw/zinc/31/38/81/1126313881.db2.gz WTKNZEJSTCJKJU-NNTXTVRGSA-N 2 1 327.450 -0.609 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCN(C)S(C)(=O)=O ZINC001483236523 1126383157 /nfs/dbraw/zinc/38/31/57/1126383157.db2.gz JDAMRPVATSIJNZ-KBPBESRZSA-N 2 1 344.481 -0.930 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCN(C)S(C)(=O)=O ZINC001483236523 1126383160 /nfs/dbraw/zinc/38/31/60/1126383160.db2.gz JDAMRPVATSIJNZ-KBPBESRZSA-N 2 1 344.481 -0.930 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001484239415 1126536810 /nfs/dbraw/zinc/53/68/10/1126536810.db2.gz XQZAHNPNXGLSRA-CZUORRHYSA-N 2 1 326.441 -0.818 20 30 EBEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001484512277 1126600440 /nfs/dbraw/zinc/60/04/40/1126600440.db2.gz QZBIBKCRPWHOMA-CABCVRRESA-N 2 1 338.452 -0.553 20 30 EBEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001484512277 1126600442 /nfs/dbraw/zinc/60/04/42/1126600442.db2.gz QZBIBKCRPWHOMA-CABCVRRESA-N 2 1 338.452 -0.553 20 30 EBEDMP C=CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001484512278 1126600486 /nfs/dbraw/zinc/60/04/86/1126600486.db2.gz QZBIBKCRPWHOMA-GJZGRUSLSA-N 2 1 338.452 -0.553 20 30 EBEDMP C=CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001484512278 1126600488 /nfs/dbraw/zinc/60/04/88/1126600488.db2.gz QZBIBKCRPWHOMA-GJZGRUSLSA-N 2 1 338.452 -0.553 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001484680658 1126616396 /nfs/dbraw/zinc/61/63/96/1126616396.db2.gz OSRCFXSCZBJMEO-HOTGVXAUSA-N 2 1 348.447 -0.867 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001484680658 1126616400 /nfs/dbraw/zinc/61/64/00/1126616400.db2.gz OSRCFXSCZBJMEO-HOTGVXAUSA-N 2 1 348.447 -0.867 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001484678467 1126618806 /nfs/dbraw/zinc/61/88/06/1126618806.db2.gz YPWOOJWPMXMMCA-RBSFLKMASA-N 2 1 338.452 -0.554 20 30 EBEDMP C[C@H](CNC(=O)COC1CC[NH+](C)CC1)[N@H+](C)CC(=O)NCC#N ZINC001485372309 1126695818 /nfs/dbraw/zinc/69/58/18/1126695818.db2.gz SWAQDXVXIDOWGN-CYBMUJFWSA-N 2 1 339.440 -0.827 20 30 EBEDMP C[C@H](CNC(=O)COC1CC[NH+](C)CC1)[N@@H+](C)CC(=O)NCC#N ZINC001485372309 1126695820 /nfs/dbraw/zinc/69/58/20/1126695820.db2.gz SWAQDXVXIDOWGN-CYBMUJFWSA-N 2 1 339.440 -0.827 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001485523491 1126742007 /nfs/dbraw/zinc/74/20/07/1126742007.db2.gz SXTAAHDAIZIPJN-ZIAGYGMSSA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001485813085 1126847768 /nfs/dbraw/zinc/84/77/68/1126847768.db2.gz HRUPGGMBJIYEBH-KBPBESRZSA-N 2 1 349.435 -0.895 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001485813085 1126847773 /nfs/dbraw/zinc/84/77/73/1126847773.db2.gz HRUPGGMBJIYEBH-KBPBESRZSA-N 2 1 349.435 -0.895 20 30 EBEDMP C[N@H+]1CC[C@@H](C(=O)N2CCC3(C2)CC[NH+](CC(=O)NCC#N)CC3)C1 ZINC001671059684 1127287788 /nfs/dbraw/zinc/28/77/88/1127287788.db2.gz OOWCBXPJEXWANJ-OAHLLOKOSA-N 2 1 347.463 -0.108 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2C)CC1 ZINC001093224339 1128308784 /nfs/dbraw/zinc/30/87/84/1128308784.db2.gz QYACIEMZSOLQBR-DJIMGWMZSA-N 2 1 346.475 -0.096 20 30 EBEDMP COCC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001489174160 1128917947 /nfs/dbraw/zinc/91/79/47/1128917947.db2.gz NZQUZKXIYBOQTR-IRXDYDNUSA-N 2 1 337.464 -0.127 20 30 EBEDMP COCC#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001489174160 1128917950 /nfs/dbraw/zinc/91/79/50/1128917950.db2.gz NZQUZKXIYBOQTR-IRXDYDNUSA-N 2 1 337.464 -0.127 20 30 EBEDMP COCC#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001489174160 1128917954 /nfs/dbraw/zinc/91/79/54/1128917954.db2.gz NZQUZKXIYBOQTR-IRXDYDNUSA-N 2 1 337.464 -0.127 20 30 EBEDMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001490922647 1130268289 /nfs/dbraw/zinc/26/82/89/1130268289.db2.gz JPMJLOZUZWXLOJ-RBSFLKMASA-N 2 1 335.452 -0.015 20 30 EBEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@](O)(CC#N)C2)C1 ZINC000592148683 377797656 /nfs/dbraw/zinc/79/76/56/377797656.db2.gz ZCRXQYKSKBBYQX-NVXWUHKLSA-N 2 1 338.452 -0.190 20 30 EBEDMP CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@](O)(CC#N)C2)C1 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/nfs/dbraw/zinc/17/46/02/381174602.db2.gz ITBYHWZPRBEVEX-FZDBZEDMSA-N 2 1 340.464 -0.067 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430632174 382023281 /nfs/dbraw/zinc/02/32/81/382023281.db2.gz XKXTXDDNVSMQJH-VXGBXAGGSA-N 2 1 325.413 -0.826 20 30 EBEDMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC1=O ZINC000844195016 584091106 /nfs/dbraw/zinc/09/11/06/584091106.db2.gz PATUMPGERDBJBJ-TUVASFSCSA-N 2 1 333.436 -0.453 20 30 EBEDMP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000852869173 584218230 /nfs/dbraw/zinc/21/82/30/584218230.db2.gz YDPWBDOQAMXUGT-KRWDZBQOSA-N 2 1 334.464 -0.488 20 30 EBEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@H](C)C[NH+]1CCOCC1 ZINC000304743160 649993943 /nfs/dbraw/zinc/99/39/43/649993943.db2.gz DAOLFLOKBBBAOV-HNNXBMFYSA-N 2 1 327.473 -0.548 20 30 EBEDMP C#CCC[NH+]1CC(N2CCN(C(=O)COC3CC[NH+](C)CC3)CC2)C1 ZINC000941621569 652839449 /nfs/dbraw/zinc/83/94/49/652839449.db2.gz AJVZZKBIHFKSMU-UHFFFAOYSA-N 2 1 348.491 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C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000973410735 725735273 /nfs/dbraw/zinc/73/52/73/725735273.db2.gz NHBVZOOHIFHXKI-JYJNAYRXSA-N 2 1 344.459 -0.057 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC000993855351 725954220 /nfs/dbraw/zinc/95/42/20/725954220.db2.gz OPFPQYJYSFNHRI-YOEHRIQHSA-N 2 1 346.475 -0.144 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000994755086 726073610 /nfs/dbraw/zinc/07/36/10/726073610.db2.gz PWFDWQMAVMCKOP-ZBFHGGJFSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000994755086 726073614 /nfs/dbraw/zinc/07/36/14/726073614.db2.gz PWFDWQMAVMCKOP-ZBFHGGJFSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000994755086 726073619 /nfs/dbraw/zinc/07/36/19/726073619.db2.gz PWFDWQMAVMCKOP-ZBFHGGJFSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000994755086 726073622 /nfs/dbraw/zinc/07/36/22/726073622.db2.gz PWFDWQMAVMCKOP-ZBFHGGJFSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cn(C)nn2)CC1 ZINC000996684080 726422234 /nfs/dbraw/zinc/42/22/34/726422234.db2.gz FYZISMOHVWSXSN-INIZCTEOSA-N 2 1 330.436 -0.007 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cn(C)nn2)CC1 ZINC000996684080 726422235 /nfs/dbraw/zinc/42/22/35/726422235.db2.gz FYZISMOHVWSXSN-INIZCTEOSA-N 2 1 330.436 -0.007 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000999393823 726518151 /nfs/dbraw/zinc/51/81/51/726518151.db2.gz YNNVBSYQRVCHLQ-CVEARBPZSA-N 2 1 347.463 -0.310 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000999393823 726518152 /nfs/dbraw/zinc/51/81/52/726518152.db2.gz YNNVBSYQRVCHLQ-CVEARBPZSA-N 2 1 347.463 -0.310 20 30 EBEDMP C#CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[N@H+](C)CCO3)nn2)C1 ZINC000999976296 726546182 /nfs/dbraw/zinc/54/61/82/726546182.db2.gz SZLAXWPSUABWOR-HZPDHXFCSA-N 2 1 346.435 -0.505 20 30 EBEDMP C#CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[N@@H+](C)CCO3)nn2)C1 ZINC000999976296 726546183 /nfs/dbraw/zinc/54/61/83/726546183.db2.gz SZLAXWPSUABWOR-HZPDHXFCSA-N 2 1 346.435 -0.505 20 30 EBEDMP C#CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[NH+](C)CCO3)nn2)C1 ZINC000999976296 726546184 /nfs/dbraw/zinc/54/61/84/726546184.db2.gz SZLAXWPSUABWOR-HZPDHXFCSA-N 2 1 346.435 -0.505 20 30 EBEDMP C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[NH+](C)CCO3)nn2)C1 ZINC000999976296 726546185 /nfs/dbraw/zinc/54/61/85/726546185.db2.gz SZLAXWPSUABWOR-HZPDHXFCSA-N 2 1 346.435 -0.505 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3ncnn3C)C2)CC1 ZINC001019813405 728998357 /nfs/dbraw/zinc/99/83/57/728998357.db2.gz DIWBUGGGNVTVNJ-HNNXBMFYSA-N 2 1 330.436 -0.149 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)CC1 ZINC001021470299 729315525 /nfs/dbraw/zinc/31/55/25/729315525.db2.gz ZGQSJSNQWKFPHX-MQVJKMGUSA-N 2 1 332.448 -0.072 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)NC)C2)CC1 ZINC001023761677 729794186 /nfs/dbraw/zinc/79/41/86/729794186.db2.gz GPSJAHPKLAOAAJ-HNNXBMFYSA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001028603924 730321404 /nfs/dbraw/zinc/32/14/04/730321404.db2.gz MCPBXYKUZMFAJL-CVEARBPZSA-N 2 1 330.436 -0.186 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001028603924 730321407 /nfs/dbraw/zinc/32/14/07/730321407.db2.gz MCPBXYKUZMFAJL-CVEARBPZSA-N 2 1 330.436 -0.186 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCn2cncn2)C1 ZINC001028603924 730321410 /nfs/dbraw/zinc/32/14/10/730321410.db2.gz MCPBXYKUZMFAJL-CVEARBPZSA-N 2 1 330.436 -0.186 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCn2cncn2)C1 ZINC001028603924 730321413 /nfs/dbraw/zinc/32/14/13/730321413.db2.gz MCPBXYKUZMFAJL-CVEARBPZSA-N 2 1 330.436 -0.186 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCNC2=O)CC1 ZINC001032802289 730934903 /nfs/dbraw/zinc/93/49/03/730934903.db2.gz SWYMGDBERLYFPD-JYJNAYRXSA-N 2 1 330.432 -0.495 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCNC2=O)CC1 ZINC001032802289 730934907 /nfs/dbraw/zinc/93/49/07/730934907.db2.gz SWYMGDBERLYFPD-JYJNAYRXSA-N 2 1 330.432 -0.495 20 30 EBEDMP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001045664585 733749115 /nfs/dbraw/zinc/74/91/15/733749115.db2.gz KRQBHIAUDPFFBZ-CVEARBPZSA-N 2 1 335.448 -0.063 20 30 EBEDMP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001045664585 733749116 /nfs/dbraw/zinc/74/91/16/733749116.db2.gz KRQBHIAUDPFFBZ-CVEARBPZSA-N 2 1 335.448 -0.063 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CCN([C@H]3CC[N@H+](CCO)C3)CC2)CC1 ZINC001046085234 733857355 /nfs/dbraw/zinc/85/73/55/733857355.db2.gz FMXLSBGQOLDDCO-SFHVURJKSA-N 2 1 348.491 -0.458 20 30 EBEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC001046087754 733860503 /nfs/dbraw/zinc/86/05/03/733860503.db2.gz ZSMRYFUGULYYNQ-QZTJIDSGSA-N 2 1 348.491 -0.051 20 30 EBEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC001046087754 733860505 /nfs/dbraw/zinc/86/05/05/733860505.db2.gz ZSMRYFUGULYYNQ-QZTJIDSGSA-N 2 1 348.491 -0.051 20 30 EBEDMP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC2)C1 ZINC001046087754 733860508 /nfs/dbraw/zinc/86/05/08/733860508.db2.gz ZSMRYFUGULYYNQ-QZTJIDSGSA-N 2 1 348.491 -0.051 20 30 EBEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC2)C1 ZINC001046087754 733860509 /nfs/dbraw/zinc/86/05/09/733860509.db2.gz ZSMRYFUGULYYNQ-QZTJIDSGSA-N 2 1 348.491 -0.051 20 30 EBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069929110 740622260 /nfs/dbraw/zinc/62/22/60/740622260.db2.gz VLDJGITVWKXZTD-BBWFWOEESA-N 2 1 342.447 -0.015 20 30 EBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@@H]1n1ccnn1 ZINC001070198099 740745720 /nfs/dbraw/zinc/74/57/20/740745720.db2.gz MGEVXYOKXGFHCD-JJXSEGSLSA-N 2 1 330.436 -0.017 20 30 EBEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001070217554 740753790 /nfs/dbraw/zinc/75/37/90/740753790.db2.gz IABFVLOUHZFTRX-APIJFGDWSA-N 2 1 334.424 -0.475 20 30 EBEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001070217554 740753791 /nfs/dbraw/zinc/75/37/91/740753791.db2.gz IABFVLOUHZFTRX-APIJFGDWSA-N 2 1 334.424 -0.475 20 30 EBEDMP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001071015726 741038638 /nfs/dbraw/zinc/03/86/38/741038638.db2.gz QXGIRWJCFCYCCF-UHFFFAOYSA-N 2 1 332.448 -0.244 20 30 EBEDMP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001071015726 741038641 /nfs/dbraw/zinc/03/86/41/741038641.db2.gz QXGIRWJCFCYCCF-UHFFFAOYSA-N 2 1 332.448 -0.244 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)CC1 ZINC001076604716 742509587 /nfs/dbraw/zinc/50/95/87/742509587.db2.gz SNNPBPQCNWPFMJ-CWRNSKLLSA-N 2 1 332.448 -0.262 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)CC1 ZINC001076604716 742509592 /nfs/dbraw/zinc/50/95/92/742509592.db2.gz SNNPBPQCNWPFMJ-CWRNSKLLSA-N 2 1 332.448 -0.262 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)CC1 ZINC000979091364 805130835 /nfs/dbraw/zinc/13/08/35/805130835.db2.gz RIDGZEOEVWODEW-OSYLJGHBSA-N 2 1 346.475 -0.286 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001002473193 809723729 /nfs/dbraw/zinc/72/37/29/809723729.db2.gz JFAJDWWFLZAIEO-QGZVFWFLSA-N 2 1 346.475 -0.142 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221771961 811532257 /nfs/dbraw/zinc/53/22/57/811532257.db2.gz KEUCZVTZNDSCNF-BZUAXINKSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221771961 811532262 /nfs/dbraw/zinc/53/22/62/811532262.db2.gz KEUCZVTZNDSCNF-BZUAXINKSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222437898 811629479 /nfs/dbraw/zinc/62/94/79/811629479.db2.gz BRWCSTZUEGTRBZ-OAGGEKHMSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222437898 811629481 /nfs/dbraw/zinc/62/94/81/811629481.db2.gz BRWCSTZUEGTRBZ-OAGGEKHMSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222437898 811629487 /nfs/dbraw/zinc/62/94/87/811629487.db2.gz BRWCSTZUEGTRBZ-OAGGEKHMSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222437898 811629492 /nfs/dbraw/zinc/62/94/92/811629492.db2.gz BRWCSTZUEGTRBZ-OAGGEKHMSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@H](O)COC)CC1 ZINC001223494852 811710034 /nfs/dbraw/zinc/71/00/34/811710034.db2.gz CRUFKUBALZAVSW-IRXDYDNUSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@H](O)COC)CC1 ZINC001223494852 811710042 /nfs/dbraw/zinc/71/00/42/811710042.db2.gz CRUFKUBALZAVSW-IRXDYDNUSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]21 ZINC001223512478 811711877 /nfs/dbraw/zinc/71/18/77/811711877.db2.gz KFSGOFOHSLKHHL-PMPSAXMXSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]21 ZINC001223512478 811711886 /nfs/dbraw/zinc/71/18/86/811711886.db2.gz KFSGOFOHSLKHHL-PMPSAXMXSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001224546128 811764956 /nfs/dbraw/zinc/76/49/56/811764956.db2.gz INZMJFYKJZYKTN-GOEBONIOSA-N 2 1 334.464 -0.238 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001225525716 811816327 /nfs/dbraw/zinc/81/63/27/811816327.db2.gz UFANKVPCYMWOOS-RBSFLKMASA-N 2 1 338.452 -0.364 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001225525716 811816334 /nfs/dbraw/zinc/81/63/34/811816334.db2.gz UFANKVPCYMWOOS-RBSFLKMASA-N 2 1 338.452 -0.364 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001227619620 811930871 /nfs/dbraw/zinc/93/08/71/811930871.db2.gz SMSHDJGADYEXCG-HNNXBMFYSA-N 2 1 340.443 -0.004 20 30 EBEDMP C[NH+](C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CC(=O)NCC#N ZINC001264032352 813142797 /nfs/dbraw/zinc/14/27/97/813142797.db2.gz KLVDCNYUSNPUMA-JJXSEGSLSA-N 2 1 347.463 -0.253 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001264424567 813174771 /nfs/dbraw/zinc/17/47/71/813174771.db2.gz MBKMDQFGEFJCLD-JYJNAYRXSA-N 2 1 330.432 -0.682 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001264424567 813174775 /nfs/dbraw/zinc/17/47/75/813174775.db2.gz MBKMDQFGEFJCLD-JYJNAYRXSA-N 2 1 330.432 -0.682 20 30 EBEDMP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001264658454 813194924 /nfs/dbraw/zinc/19/49/24/813194924.db2.gz MXYNHYSOVZYNJH-CABCVRRESA-N 2 1 335.452 -0.253 20 30 EBEDMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001264658454 813194928 /nfs/dbraw/zinc/19/49/28/813194928.db2.gz MXYNHYSOVZYNJH-CABCVRRESA-N 2 1 335.452 -0.253 20 30 EBEDMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001264658454 813194932 /nfs/dbraw/zinc/19/49/32/813194932.db2.gz MXYNHYSOVZYNJH-CABCVRRESA-N 2 1 335.452 -0.253 20 30 EBEDMP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001264658454 813194936 /nfs/dbraw/zinc/19/49/36/813194936.db2.gz MXYNHYSOVZYNJH-CABCVRRESA-N 2 1 335.452 -0.253 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)NC1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001265737320 813365462 /nfs/dbraw/zinc/36/54/62/813365462.db2.gz GIXWLUQBQXVOSJ-UHFFFAOYSA-N 2 1 332.408 -0.152 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC001266902402 813697486 /nfs/dbraw/zinc/69/74/86/813697486.db2.gz VLANXUUFCPUSNI-AALSBFMBSA-N 2 1 332.448 -0.345 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001266902402 813697490 /nfs/dbraw/zinc/69/74/90/813697490.db2.gz VLANXUUFCPUSNI-AALSBFMBSA-N 2 1 332.448 -0.345 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C ZINC001266902402 813697496 /nfs/dbraw/zinc/69/74/96/813697496.db2.gz VLANXUUFCPUSNI-AALSBFMBSA-N 2 1 332.448 -0.345 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001267225706 813794746 /nfs/dbraw/zinc/79/47/46/813794746.db2.gz ZCCNMKDZLZORGO-CQSZACIVSA-N 2 1 338.452 -0.717 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001267225706 813794749 /nfs/dbraw/zinc/79/47/49/813794749.db2.gz ZCCNMKDZLZORGO-CQSZACIVSA-N 2 1 338.452 -0.717 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267303980 813835667 /nfs/dbraw/zinc/83/56/67/813835667.db2.gz CLQZNXLNDIWADE-MRXNPFEDSA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CCOCCO)C2)CC1 ZINC001267309687 813840581 /nfs/dbraw/zinc/84/05/81/813840581.db2.gz NTVXLYXSMYJBFM-INIZCTEOSA-N 2 1 337.464 -0.221 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN1CC[NH+](C[C@@H](C)O)CC1 ZINC001267607645 813950783 /nfs/dbraw/zinc/95/07/83/813950783.db2.gz PFYLDNJJDYEFEV-SJORKVTESA-N 2 1 336.480 -0.459 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN1CC[NH+](C[C@@H](C)O)CC1 ZINC001267607645 813950786 /nfs/dbraw/zinc/95/07/86/813950786.db2.gz PFYLDNJJDYEFEV-SJORKVTESA-N 2 1 336.480 -0.459 20 30 EBEDMP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001268661848 814342646 /nfs/dbraw/zinc/34/26/46/814342646.db2.gz MLYWPUZLRJIEPY-WBMJQRKESA-N 2 1 341.431 -0.067 20 30 EBEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001269148436 814553063 /nfs/dbraw/zinc/55/30/63/814553063.db2.gz CKSXEPQRGZKLNF-GJZGRUSLSA-N 2 1 335.452 -0.015 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+]([C@@H](C)C(=O)NC)C[C@H]32)CC1 ZINC001084851072 815994512 /nfs/dbraw/zinc/99/45/12/815994512.db2.gz LZYRNRNJFSWNAT-USXIJHARSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+]([C@@H](C)C(=O)NC)C[C@H]32)CC1 ZINC001084851072 815994515 /nfs/dbraw/zinc/99/45/15/815994515.db2.gz LZYRNRNJFSWNAT-USXIJHARSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001086110072 816233840 /nfs/dbraw/zinc/23/38/40/816233840.db2.gz SGARQBKIWQZWQJ-XHSDSOJGSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001086110072 816233848 /nfs/dbraw/zinc/23/38/48/816233848.db2.gz SGARQBKIWQZWQJ-XHSDSOJGSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001271873649 816242268 /nfs/dbraw/zinc/24/22/68/816242268.db2.gz LBQKJQQARHQRKK-LVQVYYBASA-N 2 1 332.448 -0.391 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001271873649 816242272 /nfs/dbraw/zinc/24/22/72/816242272.db2.gz LBQKJQQARHQRKK-LVQVYYBASA-N 2 1 332.448 -0.391 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001271873649 816242276 /nfs/dbraw/zinc/24/22/76/816242276.db2.gz LBQKJQQARHQRKK-LVQVYYBASA-N 2 1 332.448 -0.391 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)CC1 ZINC001086558088 816377899 /nfs/dbraw/zinc/37/78/99/816377899.db2.gz RHQLEAZHDHWYEE-CTYIDZIISA-N 2 1 345.451 -0.460 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCNC(=O)NC(C)C ZINC001274791408 817086895 /nfs/dbraw/zinc/08/68/95/817086895.db2.gz ISWYEDBYTBAOBS-CABCVRRESA-N 2 1 337.468 -0.114 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCNC(=O)NC(C)C ZINC001274791408 817086900 /nfs/dbraw/zinc/08/69/00/817086900.db2.gz ISWYEDBYTBAOBS-CABCVRRESA-N 2 1 337.468 -0.114 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001277252841 817539097 /nfs/dbraw/zinc/53/90/97/817539097.db2.gz QBJNGHKFEABTFX-UONOGXRCSA-N 2 1 336.436 -0.917 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001277252841 817539105 /nfs/dbraw/zinc/53/91/05/817539105.db2.gz QBJNGHKFEABTFX-UONOGXRCSA-N 2 1 336.436 -0.917 20 30 EBEDMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001278200520 817723795 /nfs/dbraw/zinc/72/37/95/817723795.db2.gz LPMDPCHSRFJDAC-ZDUSSCGKSA-N 2 1 349.435 -0.941 20 30 EBEDMP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001278200520 817723801 /nfs/dbraw/zinc/72/38/01/817723801.db2.gz LPMDPCHSRFJDAC-ZDUSSCGKSA-N 2 1 349.435 -0.941 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCOCCO)C(C)(C)C1 ZINC001278650264 817788968 /nfs/dbraw/zinc/78/89/68/817788968.db2.gz DUNAYTPCUMLBQC-HOTGVXAUSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCOCCO)C(C)(C)C1 ZINC001278650264 817788976 /nfs/dbraw/zinc/78/89/76/817788976.db2.gz DUNAYTPCUMLBQC-HOTGVXAUSA-N 2 1 337.464 -0.081 20 30 EBEDMP C[N@@H+]1CC[C@H](C(=O)NC[C@]2(C)CCC[NH+](CC(=O)NCC#N)C2)C1 ZINC001278688509 817793830 /nfs/dbraw/zinc/79/38/30/817793830.db2.gz WYQHYADYBSPTQY-YOEHRIQHSA-N 2 1 335.452 -0.204 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)NC[C@]2(C)CCC[NH+](CC(=O)NCC#N)C2)C1 ZINC001278688509 817793833 /nfs/dbraw/zinc/79/38/33/817793833.db2.gz WYQHYADYBSPTQY-YOEHRIQHSA-N 2 1 335.452 -0.204 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)NC[C@]2(C)CCC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001278688509 817793839 /nfs/dbraw/zinc/79/38/39/817793839.db2.gz WYQHYADYBSPTQY-YOEHRIQHSA-N 2 1 335.452 -0.204 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)NC[C@]2(C)CCC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001278688509 817793843 /nfs/dbraw/zinc/79/38/43/817793843.db2.gz WYQHYADYBSPTQY-YOEHRIQHSA-N 2 1 335.452 -0.204 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001278685933 817794410 /nfs/dbraw/zinc/79/44/10/817794410.db2.gz FVHVDFIQHRBBOJ-CRAIPNDOSA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001278685933 817794415 /nfs/dbraw/zinc/79/44/15/817794415.db2.gz FVHVDFIQHRBBOJ-CRAIPNDOSA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001278685933 817794423 /nfs/dbraw/zinc/79/44/23/817794423.db2.gz FVHVDFIQHRBBOJ-CRAIPNDOSA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001278685933 817794433 /nfs/dbraw/zinc/79/44/33/817794433.db2.gz FVHVDFIQHRBBOJ-CRAIPNDOSA-N 2 1 334.464 -0.094 20 30 EBEDMP COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001278754993 817810105 /nfs/dbraw/zinc/81/01/05/817810105.db2.gz CPOYLABESQCVDB-CVEARBPZSA-N 2 1 325.453 -0.082 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001279612994 817958989 /nfs/dbraw/zinc/95/89/89/817958989.db2.gz IAVNEIKJTWFRSX-YYIAUSFCSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001279612994 817958997 /nfs/dbraw/zinc/95/89/97/817958997.db2.gz IAVNEIKJTWFRSX-YYIAUSFCSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001279612994 817959003 /nfs/dbraw/zinc/95/90/03/817959003.db2.gz IAVNEIKJTWFRSX-YYIAUSFCSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001279612994 817959009 /nfs/dbraw/zinc/95/90/09/817959009.db2.gz IAVNEIKJTWFRSX-YYIAUSFCSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2=O)C1 ZINC001094736213 818390562 /nfs/dbraw/zinc/39/05/62/818390562.db2.gz FRNKAJCLDWKHLV-WBVHZDCISA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2=O)C1 ZINC001094736210 818391036 /nfs/dbraw/zinc/39/10/36/818391036.db2.gz FRNKAJCLDWKHLV-DOTOQJQBSA-N 2 1 344.459 -0.247 20 30 EBEDMP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001282960052 818550623 /nfs/dbraw/zinc/55/06/23/818550623.db2.gz XNDHYIHULZHRTD-QLFBSQMISA-N 2 1 335.452 -0.205 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCOCC)C[C@@H]2O)CC1 ZINC001100122002 820250891 /nfs/dbraw/zinc/25/08/91/820250891.db2.gz JYKAIBUFKFRWDW-IRXDYDNUSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001101277639 820743393 /nfs/dbraw/zinc/74/33/93/820743393.db2.gz RBBWWYVOEZATFO-RKVPGOIHSA-N 2 1 334.464 -0.144 20 30 EBEDMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101362752 820768764 /nfs/dbraw/zinc/76/87/64/820768764.db2.gz CHNOYUHYNKLIAL-RKVPGOIHSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101362752 820768766 /nfs/dbraw/zinc/76/87/66/820768766.db2.gz CHNOYUHYNKLIAL-RKVPGOIHSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101362752 820768769 /nfs/dbraw/zinc/76/87/69/820768769.db2.gz CHNOYUHYNKLIAL-RKVPGOIHSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101362752 820768772 /nfs/dbraw/zinc/76/87/72/820768772.db2.gz CHNOYUHYNKLIAL-RKVPGOIHSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3C[NH+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101432372 820789886 /nfs/dbraw/zinc/78/98/86/820789886.db2.gz OWUBNMCAOYVXSH-DAYGRLMNSA-N 2 1 347.463 -0.252 20 30 EBEDMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3C[NH+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101432372 820789893 /nfs/dbraw/zinc/78/98/93/820789893.db2.gz OWUBNMCAOYVXSH-DAYGRLMNSA-N 2 1 347.463 -0.252 20 30 EBEDMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3C[N@H+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101432372 820789898 /nfs/dbraw/zinc/78/98/98/820789898.db2.gz OWUBNMCAOYVXSH-DAYGRLMNSA-N 2 1 347.463 -0.252 20 30 EBEDMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101432372 820789903 /nfs/dbraw/zinc/78/99/03/820789903.db2.gz OWUBNMCAOYVXSH-DAYGRLMNSA-N 2 1 347.463 -0.252 20 30 EBEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001316615960 821817414 /nfs/dbraw/zinc/81/74/14/821817414.db2.gz JJPOWYCTODUJBL-QLFBSQMISA-N 2 1 335.452 -0.015 20 30 EBEDMP C#CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001316715187 821832744 /nfs/dbraw/zinc/83/27/44/821832744.db2.gz IBHIRVAWTLPJCZ-ZDUSSCGKSA-N 2 1 333.392 -0.758 20 30 EBEDMP C#CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001316715187 821832746 /nfs/dbraw/zinc/83/27/46/821832746.db2.gz IBHIRVAWTLPJCZ-ZDUSSCGKSA-N 2 1 333.392 -0.758 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C[C@H](O)COC)C1 ZINC001317133036 822013645 /nfs/dbraw/zinc/01/36/45/822013645.db2.gz UYZZSIVSYWXZSY-ULQDDVLXSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)COC)C1 ZINC001317133036 822013651 /nfs/dbraw/zinc/01/36/51/822013651.db2.gz UYZZSIVSYWXZSY-ULQDDVLXSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](C[C@H](O)COC)C1 ZINC001317133036 822013654 /nfs/dbraw/zinc/01/36/54/822013654.db2.gz UYZZSIVSYWXZSY-ULQDDVLXSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](C[C@H](O)COC)C1 ZINC001317133036 822013660 /nfs/dbraw/zinc/01/36/60/822013660.db2.gz UYZZSIVSYWXZSY-ULQDDVLXSA-N 2 1 337.464 -0.081 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105977892 822046389 /nfs/dbraw/zinc/04/63/89/822046389.db2.gz CTRKKSLOXWHUFE-RBSFLKMASA-N 2 1 338.452 -0.697 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105977892 822046399 /nfs/dbraw/zinc/04/63/99/822046399.db2.gz CTRKKSLOXWHUFE-RBSFLKMASA-N 2 1 338.452 -0.697 20 30 EBEDMP CC[C@H](CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)[NH2+]CC(=O)NCC#N ZINC001318568731 822336632 /nfs/dbraw/zinc/33/66/32/822336632.db2.gz CFHQXXVCDXIBCG-UONOGXRCSA-N 2 1 346.435 -0.122 20 30 EBEDMP C#CCC[NH+]1CC(N2C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC2=O)C1 ZINC001108553813 824367106 /nfs/dbraw/zinc/36/71/06/824367106.db2.gz WVJSISGHIFGJJA-PBHICJAKSA-N 2 1 334.464 -0.003 20 30 EBEDMP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC2=O)C1 ZINC001108570188 824380696 /nfs/dbraw/zinc/38/06/96/824380696.db2.gz WVJSISGHIFGJJA-WMLDXEAASA-N 2 1 334.464 -0.003 20 30 EBEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685320 828655696 /nfs/dbraw/zinc/65/56/96/828655696.db2.gz QKQIXAWKYPERHO-PMPSAXMXSA-N 2 1 348.451 -0.084 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(CC)CCC#N ZINC001129775106 828668252 /nfs/dbraw/zinc/66/82/52/828668252.db2.gz IFKLITOFGUQVRM-HNNXBMFYSA-N 2 1 333.436 -0.448 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(CC)CCC#N ZINC001129775106 828668256 /nfs/dbraw/zinc/66/82/56/828668256.db2.gz IFKLITOFGUQVRM-HNNXBMFYSA-N 2 1 333.436 -0.448 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC001129791118 828670342 /nfs/dbraw/zinc/67/03/42/828670342.db2.gz STCTTXKPBNZNIG-KGLIPLIRSA-N 2 1 329.466 -0.530 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC001129791118 828670346 /nfs/dbraw/zinc/67/03/46/828670346.db2.gz STCTTXKPBNZNIG-KGLIPLIRSA-N 2 1 329.466 -0.530 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COCc1ccco1 ZINC001129791170 828670627 /nfs/dbraw/zinc/67/06/27/828670627.db2.gz WDMWZIASIWVMBU-WBVHZDCISA-N 2 1 349.431 -0.040 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COCc1ccco1 ZINC001129791170 828670632 /nfs/dbraw/zinc/67/06/32/828670632.db2.gz WDMWZIASIWVMBU-WBVHZDCISA-N 2 1 349.431 -0.040 20 30 EBEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912666 828693370 /nfs/dbraw/zinc/69/33/70/828693370.db2.gz UQFOZYOFDJQCPQ-LVQVYYBASA-N 2 1 346.435 -0.638 20 30 EBEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912666 828693372 /nfs/dbraw/zinc/69/33/72/828693372.db2.gz UQFOZYOFDJQCPQ-LVQVYYBASA-N 2 1 346.435 -0.638 20 30 EBEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130136966 828739008 /nfs/dbraw/zinc/73/90/08/828739008.db2.gz BQVXIDYEBRFEAM-CVEARBPZSA-N 2 1 348.451 -0.390 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001111983125 825366307 /nfs/dbraw/zinc/36/63/07/825366307.db2.gz CHWWPVANGUPPAB-MPGHIAIKSA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001111983125 825366312 /nfs/dbraw/zinc/36/63/12/825366312.db2.gz CHWWPVANGUPPAB-MPGHIAIKSA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111983125 825366317 /nfs/dbraw/zinc/36/63/17/825366317.db2.gz CHWWPVANGUPPAB-MPGHIAIKSA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111983125 825366327 /nfs/dbraw/zinc/36/63/27/825366327.db2.gz CHWWPVANGUPPAB-MPGHIAIKSA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001112578321 825458494 /nfs/dbraw/zinc/45/84/94/825458494.db2.gz JMCKDQJMQOELSX-BXWFABGCSA-N 2 1 346.475 -0.094 20 30 EBEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001114296110 826196739 /nfs/dbraw/zinc/19/67/39/826196739.db2.gz IHIZRCVZUSOJRZ-QLPKVWCKSA-N 2 1 345.447 -0.246 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC001114519431 826275250 /nfs/dbraw/zinc/27/52/50/826275250.db2.gz XRNARVXQKHKZNA-CAOSSQGBSA-N 2 1 344.459 -0.201 20 30 EBEDMP C[NH+]1CCC(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)CC1 ZINC001114924926 826373255 /nfs/dbraw/zinc/37/32/55/826373255.db2.gz KTZCXOMAFSKIMM-HALDLXJZSA-N 2 1 333.436 -0.596 20 30 EBEDMP C[NH+]1CCC(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)CC1 ZINC001114924926 826373260 /nfs/dbraw/zinc/37/32/60/826373260.db2.gz KTZCXOMAFSKIMM-HALDLXJZSA-N 2 1 333.436 -0.596 20 30 EBEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001115242057 826467574 /nfs/dbraw/zinc/46/75/74/826467574.db2.gz UTNUUZNRMVYJLS-LJIGWXMPSA-N 2 1 347.463 -0.253 20 30 EBEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001115242057 826467576 /nfs/dbraw/zinc/46/75/76/826467576.db2.gz UTNUUZNRMVYJLS-LJIGWXMPSA-N 2 1 347.463 -0.253 20 30 EBEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001115242057 826467580 /nfs/dbraw/zinc/46/75/80/826467580.db2.gz UTNUUZNRMVYJLS-LJIGWXMPSA-N 2 1 347.463 -0.253 20 30 EBEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001115242057 826467584 /nfs/dbraw/zinc/46/75/84/826467584.db2.gz UTNUUZNRMVYJLS-LJIGWXMPSA-N 2 1 347.463 -0.253 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001115292582 826497302 /nfs/dbraw/zinc/49/73/02/826497302.db2.gz QUQORCVLSTVYMC-HWWDLCQESA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001115292582 826497304 /nfs/dbraw/zinc/49/73/04/826497304.db2.gz QUQORCVLSTVYMC-HWWDLCQESA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001180899396 833121512 /nfs/dbraw/zinc/12/15/12/833121512.db2.gz LNZXZYUJQAFNMX-IIDMSEBBSA-N 2 1 334.464 -0.096 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124867046 827969535 /nfs/dbraw/zinc/96/95/35/827969535.db2.gz QSARTVJVSWTRQP-NWDGAFQWSA-N 2 1 325.413 -0.813 20 30 EBEDMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#Cc1ccccc1 ZINC001124873543 827972742 /nfs/dbraw/zinc/97/27/42/827972742.db2.gz XUJQUJXUGOEVJV-KRWDZBQOSA-N 2 1 342.443 -0.046 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NCC)C1 ZINC001183353823 833287768 /nfs/dbraw/zinc/28/77/68/833287768.db2.gz BYOKKVOJUCMHKB-KGLIPLIRSA-N 2 1 349.435 -0.880 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NCC)C1 ZINC001183353823 833287769 /nfs/dbraw/zinc/28/77/69/833287769.db2.gz BYOKKVOJUCMHKB-KGLIPLIRSA-N 2 1 349.435 -0.880 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCNC(=O)NC(C)C)C1 ZINC001183354106 833287804 /nfs/dbraw/zinc/28/78/04/833287804.db2.gz PWBBAYSYVGSXNB-CVEARBPZSA-N 2 1 349.479 -0.018 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCNC(=O)NC(C)C)C1 ZINC001183354106 833287807 /nfs/dbraw/zinc/28/78/07/833287807.db2.gz PWBBAYSYVGSXNB-CVEARBPZSA-N 2 1 349.479 -0.018 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001183361216 833288057 /nfs/dbraw/zinc/28/80/57/833288057.db2.gz LHYGXCKAMWKMJR-ZACQAIPSSA-N 2 1 345.447 -0.468 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001183361216 833288059 /nfs/dbraw/zinc/28/80/59/833288059.db2.gz LHYGXCKAMWKMJR-ZACQAIPSSA-N 2 1 345.447 -0.468 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001183361239 833288137 /nfs/dbraw/zinc/28/81/37/833288137.db2.gz MROYXKBICYXARX-CABCVRRESA-N 2 1 341.477 -0.291 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001183361239 833288139 /nfs/dbraw/zinc/28/81/39/833288139.db2.gz MROYXKBICYXARX-CABCVRRESA-N 2 1 341.477 -0.291 20 30 EBEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001183868506 833310266 /nfs/dbraw/zinc/31/02/66/833310266.db2.gz MRFZKRXDVIFXQT-CABCVRRESA-N 2 1 335.452 -0.063 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001184301351 833326708 /nfs/dbraw/zinc/32/67/08/833326708.db2.gz NWFCTEJQVCMTRV-CYBMUJFWSA-N 2 1 348.407 -0.606 20 30 EBEDMP N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001184319533 833327123 /nfs/dbraw/zinc/32/71/23/833327123.db2.gz BBLZHOGPUJPZQZ-CYBMUJFWSA-N 2 1 344.419 -0.408 20 30 EBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130555872 828881532 /nfs/dbraw/zinc/88/15/32/828881532.db2.gz NWSPMFPPMONRRU-USXIJHARSA-N 2 1 345.447 -0.342 20 30 EBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130555872 828881540 /nfs/dbraw/zinc/88/15/40/828881540.db2.gz NWSPMFPPMONRRU-USXIJHARSA-N 2 1 345.447 -0.342 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001211098904 837387071 /nfs/dbraw/zinc/38/70/71/837387071.db2.gz VCZIFEFDEVBIHX-HIFRSBDPSA-N 2 1 331.420 -0.090 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001132978512 829566583 /nfs/dbraw/zinc/56/65/83/829566583.db2.gz UEVZPEAJQGCPLS-ZFWWWQNUSA-N 2 1 346.435 -0.095 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001133001328 829571133 /nfs/dbraw/zinc/57/11/33/829571133.db2.gz XWQVCJXYNWEFBX-OCCSQVGLSA-N 2 1 331.420 -0.402 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133849948 829687431 /nfs/dbraw/zinc/68/74/31/829687431.db2.gz IAZXTEHECFDZEK-MRXNPFEDSA-N 2 1 326.416 -0.346 20 30 EBEDMP C[N@H+]1C[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)[C@@H](c2ccccc2)C1 ZINC001134121262 829728716 /nfs/dbraw/zinc/72/87/16/829728716.db2.gz UUQJQJCNSDIAMG-CVEARBPZSA-N 2 1 343.431 -0.323 20 30 EBEDMP C[C@H]1C[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NCC#N)C3)CC[N@@H+]1C ZINC001148146819 830448794 /nfs/dbraw/zinc/44/87/94/830448794.db2.gz JQAJMSHTLSMKIQ-GJZGRUSLSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[C@H]1C[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NCC#N)C3)CC[N@H+]1C ZINC001148146819 830448798 /nfs/dbraw/zinc/44/87/98/830448798.db2.gz JQAJMSHTLSMKIQ-GJZGRUSLSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[C@H]1C[C@@H](C(=O)N2CC3(C2)CC[N@H+](CC(=O)NCC#N)C3)CC[NH+]1C ZINC001148146819 830448800 /nfs/dbraw/zinc/44/88/00/830448800.db2.gz JQAJMSHTLSMKIQ-GJZGRUSLSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[C@H]1C[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NCC#N)C3)CC[NH+]1C ZINC001148146819 830448806 /nfs/dbraw/zinc/44/88/06/830448806.db2.gz JQAJMSHTLSMKIQ-GJZGRUSLSA-N 2 1 347.463 -0.109 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001148277999 830463483 /nfs/dbraw/zinc/46/34/83/830463483.db2.gz QUWMQLNPSVQCJP-HNNXBMFYSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001148277999 830463485 /nfs/dbraw/zinc/46/34/85/830463485.db2.gz QUWMQLNPSVQCJP-HNNXBMFYSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001148277999 830463488 /nfs/dbraw/zinc/46/34/88/830463488.db2.gz QUWMQLNPSVQCJP-HNNXBMFYSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001148277999 830463492 /nfs/dbraw/zinc/46/34/92/830463492.db2.gz QUWMQLNPSVQCJP-HNNXBMFYSA-N 2 1 332.448 -0.246 20 30 EBEDMP CC1CC[NH+](CC(=O)N2CC3(C2)CC[N@H+](CC(=O)NCC#N)C3)CC1 ZINC001148480394 830495364 /nfs/dbraw/zinc/49/53/64/830495364.db2.gz ADPVBCDDGRCNGT-UHFFFAOYSA-N 2 1 347.463 -0.108 20 30 EBEDMP CC1CC[NH+](CC(=O)N2CC3(C2)CC[N@@H+](CC(=O)NCC#N)C3)CC1 ZINC001148480394 830495369 /nfs/dbraw/zinc/49/53/69/830495369.db2.gz ADPVBCDDGRCNGT-UHFFFAOYSA-N 2 1 347.463 -0.108 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2ncnn2CCF)CC1 ZINC001152334342 831153419 /nfs/dbraw/zinc/15/34/19/831153419.db2.gz BARWZESXCZVBNE-UHFFFAOYSA-N 2 1 336.415 -0.201 20 30 EBEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156390535 831473617 /nfs/dbraw/zinc/47/36/17/831473617.db2.gz RFKSJJZYEOJYDS-CQSZACIVSA-N 2 1 326.441 -0.859 20 30 EBEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156390535 831473619 /nfs/dbraw/zinc/47/36/19/831473619.db2.gz RFKSJJZYEOJYDS-CQSZACIVSA-N 2 1 326.441 -0.859 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001159883215 831792247 /nfs/dbraw/zinc/79/22/47/831792247.db2.gz PZNGTHHDKSPALL-HUUCEWRRSA-N 2 1 348.451 -0.953 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159997098 831803117 /nfs/dbraw/zinc/80/31/17/831803117.db2.gz FWLDJSNFQOEOQX-UHFFFAOYSA-N 2 1 339.440 -0.422 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001160209326 831825348 /nfs/dbraw/zinc/82/53/48/831825348.db2.gz HTZTYZVCYPCUQB-OLZOCXBDSA-N 2 1 337.424 -0.976 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001160209326 831825353 /nfs/dbraw/zinc/82/53/53/831825353.db2.gz HTZTYZVCYPCUQB-OLZOCXBDSA-N 2 1 337.424 -0.976 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCNS(=O)(=O)CC ZINC001160209723 831825407 /nfs/dbraw/zinc/82/54/07/831825407.db2.gz UQQFVMYRRDJREP-AWEZNQCLSA-N 2 1 344.481 -0.881 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCNS(=O)(=O)CC ZINC001160209723 831825412 /nfs/dbraw/zinc/82/54/12/831825412.db2.gz UQQFVMYRRDJREP-AWEZNQCLSA-N 2 1 344.481 -0.881 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160858154 831898001 /nfs/dbraw/zinc/89/80/01/831898001.db2.gz YGGQSTQPTWHPFE-MGPQQGTHSA-N 2 1 326.441 -0.508 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160858154 831898008 /nfs/dbraw/zinc/89/80/08/831898008.db2.gz YGGQSTQPTWHPFE-MGPQQGTHSA-N 2 1 326.441 -0.508 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001166201935 832252649 /nfs/dbraw/zinc/25/26/49/832252649.db2.gz AUFKRHZMMORZMI-UHFFFAOYSA-N 2 1 331.420 -0.183 20 30 EBEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001167235859 832318902 /nfs/dbraw/zinc/31/89/02/832318902.db2.gz BCLDAVPCLRRJIX-KBPBESRZSA-N 2 1 335.452 -0.300 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)CCC ZINC001171763038 832575161 /nfs/dbraw/zinc/57/51/61/832575161.db2.gz RVQGPSZLCKIFIF-UHFFFAOYSA-N 2 1 327.429 -0.564 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+](C)CCC ZINC001171770696 832575566 /nfs/dbraw/zinc/57/55/66/832575566.db2.gz XZCQYDWJTSUBPG-CYBMUJFWSA-N 2 1 341.456 -0.176 20 30 EBEDMP C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001178107261 832827445 /nfs/dbraw/zinc/82/74/45/832827445.db2.gz NVJJFIQWYDRRBV-HNNXBMFYSA-N 2 1 340.468 -0.115 20 30 EBEDMP C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001178107261 832827454 /nfs/dbraw/zinc/82/74/54/832827454.db2.gz NVJJFIQWYDRRBV-HNNXBMFYSA-N 2 1 340.468 -0.115 20 30 EBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001191967047 834581200 /nfs/dbraw/zinc/58/12/00/834581200.db2.gz CPPFKLUCLRMNBG-HRCADAONSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001191967047 834581201 /nfs/dbraw/zinc/58/12/01/834581201.db2.gz CPPFKLUCLRMNBG-HRCADAONSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001191967047 834581202 /nfs/dbraw/zinc/58/12/02/834581202.db2.gz CPPFKLUCLRMNBG-HRCADAONSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001191967047 834581203 /nfs/dbraw/zinc/58/12/03/834581203.db2.gz CPPFKLUCLRMNBG-HRCADAONSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192143078 834616931 /nfs/dbraw/zinc/61/69/31/834616931.db2.gz KYUDXHPUHQUFCP-ZBFHGGJFSA-N 2 1 334.464 -0.001 20 30 EBEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194832390 835155408 /nfs/dbraw/zinc/15/54/08/835155408.db2.gz NTPBLUYKKGZTBB-YLADIXGZSA-N 2 1 335.448 -0.023 20 30 EBEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194832390 835155412 /nfs/dbraw/zinc/15/54/12/835155412.db2.gz NTPBLUYKKGZTBB-YLADIXGZSA-N 2 1 335.448 -0.023 20 30 EBEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001194832390 835155418 /nfs/dbraw/zinc/15/54/18/835155418.db2.gz NTPBLUYKKGZTBB-YLADIXGZSA-N 2 1 335.448 -0.023 20 30 EBEDMP N#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001203517768 836441373 /nfs/dbraw/zinc/44/13/73/836441373.db2.gz BCVIZBAQCMMIBR-KRWDZBQOSA-N 2 1 333.436 -0.307 20 30 EBEDMP C=CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001204876494 836535601 /nfs/dbraw/zinc/53/56/01/836535601.db2.gz YOKCGGSIARRWPX-HNNXBMFYSA-N 2 1 338.452 -0.553 20 30 EBEDMP C=CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001204876494 836535609 /nfs/dbraw/zinc/53/56/09/836535609.db2.gz YOKCGGSIARRWPX-HNNXBMFYSA-N 2 1 338.452 -0.553 20 30 EBEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1 ZINC001206275631 836635256 /nfs/dbraw/zinc/63/52/56/836635256.db2.gz XIWBUFQKTDPVCP-CQSZACIVSA-N 2 1 335.452 -0.061 20 30 EBEDMP N#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001208334001 836998967 /nfs/dbraw/zinc/99/89/67/836998967.db2.gz CKAZJDWFEMZJKG-ZIAGYGMSSA-N 2 1 344.419 -0.019 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208410886 837024340 /nfs/dbraw/zinc/02/43/40/837024340.db2.gz HEFOJAUYLZONCW-QLFBSQMISA-N 2 1 338.452 -0.412 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208410886 837024356 /nfs/dbraw/zinc/02/43/56/837024356.db2.gz HEFOJAUYLZONCW-QLFBSQMISA-N 2 1 338.452 -0.412 20 30 EBEDMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC#CCOC)C1 ZINC001320261916 838734079 /nfs/dbraw/zinc/73/40/79/838734079.db2.gz FSCNYGOOHDJXKT-HOTGVXAUSA-N 2 1 325.453 -0.175 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001323467652 839450284 /nfs/dbraw/zinc/45/02/84/839450284.db2.gz GLOQDVWDMDLFNW-HOTGVXAUSA-N 2 1 345.447 -0.420 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001323467652 839450290 /nfs/dbraw/zinc/45/02/90/839450290.db2.gz GLOQDVWDMDLFNW-HOTGVXAUSA-N 2 1 345.447 -0.420 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001323871203 839548324 /nfs/dbraw/zinc/54/83/24/839548324.db2.gz BHSBHSJNKWRECH-SFHVURJKSA-N 2 1 332.448 -0.244 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001324660070 839695998 /nfs/dbraw/zinc/69/59/98/839695998.db2.gz DTYZLYYZESTYLZ-WMLDXEAASA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001324660070 839696005 /nfs/dbraw/zinc/69/60/05/839696005.db2.gz DTYZLYYZESTYLZ-WMLDXEAASA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)CC)C[C@@H]2C1 ZINC001325740465 839924932 /nfs/dbraw/zinc/92/49/32/839924932.db2.gz JHGPSXQHTNDBHH-BBWFWOEESA-N 2 1 346.475 -0.048 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)CC)C[C@@H]2C1 ZINC001325740465 839924939 /nfs/dbraw/zinc/92/49/39/839924939.db2.gz JHGPSXQHTNDBHH-BBWFWOEESA-N 2 1 346.475 -0.048 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)CC)C[C@@H]2C1 ZINC001325740465 839924948 /nfs/dbraw/zinc/92/49/48/839924948.db2.gz JHGPSXQHTNDBHH-BBWFWOEESA-N 2 1 346.475 -0.048 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)CC)C[C@@H]2C1 ZINC001325740465 839924955 /nfs/dbraw/zinc/92/49/55/839924955.db2.gz JHGPSXQHTNDBHH-BBWFWOEESA-N 2 1 346.475 -0.048 20 30 EBEDMP C[N@@H+](CC(=O)NCC#N)C[C@@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001328780579 840749697 /nfs/dbraw/zinc/74/96/97/840749697.db2.gz NNGBKBLHUVGRAI-CABCVRRESA-N 2 1 335.452 -0.109 20 30 EBEDMP C[N@H+](CC(=O)NCC#N)C[C@@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001328780579 840749699 /nfs/dbraw/zinc/74/96/99/840749699.db2.gz NNGBKBLHUVGRAI-CABCVRRESA-N 2 1 335.452 -0.109 20 30 EBEDMP C[NH+](CC(=O)NCC#N)C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001328780579 840749702 /nfs/dbraw/zinc/74/97/02/840749702.db2.gz NNGBKBLHUVGRAI-CABCVRRESA-N 2 1 335.452 -0.109 20 30 EBEDMP C[NH+](CC(=O)NCC#N)C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001328780579 840749705 /nfs/dbraw/zinc/74/97/05/840749705.db2.gz NNGBKBLHUVGRAI-CABCVRRESA-N 2 1 335.452 -0.109 20 30 EBEDMP C[C@H]1CC[NH+](CC(=O)N2CCC([N@H+](C)CC(=O)NCC#N)CC2)C1 ZINC001331053247 841322841 /nfs/dbraw/zinc/32/28/41/841322841.db2.gz FPPYFEKQLDUTQV-AWEZNQCLSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[C@H]1CC[NH+](CC(=O)N2CCC([N@@H+](C)CC(=O)NCC#N)CC2)C1 ZINC001331053247 841322854 /nfs/dbraw/zinc/32/28/54/841322854.db2.gz FPPYFEKQLDUTQV-AWEZNQCLSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[N@@H+](CC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)C(C)(C)C1)C1CCC1 ZINC001332385527 841631158 /nfs/dbraw/zinc/63/11/58/841631158.db2.gz BKXQSGLFJBIXPB-AWEZNQCLSA-N 2 1 335.452 -0.063 20 30 EBEDMP COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001332566920 841673501 /nfs/dbraw/zinc/67/35/01/841673501.db2.gz RYLUGZKXJXTMAF-WBVHZDCISA-N 2 1 348.447 -0.187 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[N@H+](C)CC#CCOC)CC1 ZINC001332677536 841715485 /nfs/dbraw/zinc/71/54/85/841715485.db2.gz STWQTFLRWVQZPV-GOSISDBHSA-N 2 1 349.475 -0.268 20 30 EBEDMP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001332928017 841766447 /nfs/dbraw/zinc/76/64/47/841766447.db2.gz AOVOYJJDHDUJDW-HOTGVXAUSA-N 2 1 337.468 -0.080 20 30 EBEDMP C#CC[N@@H+](C[C@@H]1CNC(=O)C1)C1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC001333066707 841788146 /nfs/dbraw/zinc/78/81/46/841788146.db2.gz MCVXEKUHSVUJPP-GJZGRUSLSA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CC[N@H+](C[C@@H]1CNC(=O)C1)C1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC001333066707 841788150 /nfs/dbraw/zinc/78/81/50/841788150.db2.gz MCVXEKUHSVUJPP-GJZGRUSLSA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)C1 ZINC001333679549 841926059 /nfs/dbraw/zinc/92/60/59/841926059.db2.gz ZCTFKHMVFLWUCE-LSDHHAIUSA-N 2 1 335.452 -0.155 20 30 EBEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)C1 ZINC001333679549 841926065 /nfs/dbraw/zinc/92/60/65/841926065.db2.gz ZCTFKHMVFLWUCE-LSDHHAIUSA-N 2 1 335.452 -0.155 20 30 EBEDMP C[NH+]=C(NCC1(O)CCOCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001339431118 842915579 /nfs/dbraw/zinc/91/55/79/842915579.db2.gz MBDKXSNNWVMHPP-OAHLLOKOSA-N 2 1 340.468 -0.243 20 30 EBEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001343687389 843253856 /nfs/dbraw/zinc/25/38/56/843253856.db2.gz TZMWRORVQGUSBM-CYBMUJFWSA-N 2 1 330.454 -0.884 20 30 EBEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001343687391 843254612 /nfs/dbraw/zinc/25/46/12/843254612.db2.gz TZMWRORVQGUSBM-ZDUSSCGKSA-N 2 1 330.454 -0.884 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCN1C(=O)CCC1=O ZINC001480874511 1125799211 /nfs/dbraw/zinc/79/92/11/1125799211.db2.gz HTDISLSOKFJGDQ-AWEZNQCLSA-N 2 1 334.420 -0.719 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCN1C(=O)CCC1=O ZINC001480874511 1125799212 /nfs/dbraw/zinc/79/92/12/1125799212.db2.gz HTDISLSOKFJGDQ-AWEZNQCLSA-N 2 1 334.420 -0.719 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCN1C(=O)CCC1=O ZINC001480874511 1125799213 /nfs/dbraw/zinc/79/92/13/1125799213.db2.gz HTDISLSOKFJGDQ-AWEZNQCLSA-N 2 1 334.420 -0.719 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCN1C(=O)CCC1=O ZINC001480874511 1125799214 /nfs/dbraw/zinc/79/92/14/1125799214.db2.gz HTDISLSOKFJGDQ-AWEZNQCLSA-N 2 1 334.420 -0.719 20 30 EBEDMP C[NH+](CC(=O)N1CC[C@H](C[N@H+](C)CC(=O)NCC#N)C1)C1CCC1 ZINC001481488454 1126002149 /nfs/dbraw/zinc/00/21/49/1126002149.db2.gz SZCPSMOVKQDYBX-CQSZACIVSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[NH+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001481488454 1126002150 /nfs/dbraw/zinc/00/21/50/1126002150.db2.gz SZCPSMOVKQDYBX-CQSZACIVSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[NH+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001481488454 1126002151 /nfs/dbraw/zinc/00/21/51/1126002151.db2.gz SZCPSMOVKQDYBX-CQSZACIVSA-N 2 1 335.452 -0.109 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482365743 1126139389 /nfs/dbraw/zinc/13/93/89/1126139389.db2.gz XQJWTOHLFMTDCK-STQMWFEESA-N 2 1 339.440 -0.614 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC001482663765 1126248392 /nfs/dbraw/zinc/24/83/92/1126248392.db2.gz BXAWTMGLMKJJSE-GJZGRUSLSA-N 2 1 345.447 -0.355 20 30 EBEDMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001482797234 1126293951 /nfs/dbraw/zinc/29/39/51/1126293951.db2.gz MLPCGAPIDFNCPW-DLBZAZTESA-N 2 1 346.431 -0.154 20 30 EBEDMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001482797234 1126293952 /nfs/dbraw/zinc/29/39/52/1126293952.db2.gz MLPCGAPIDFNCPW-DLBZAZTESA-N 2 1 346.431 -0.154 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]Cc2ncc(C)cn2)CC1 ZINC001482797745 1126294169 /nfs/dbraw/zinc/29/41/69/1126294169.db2.gz CAOLKLRDFDOIFX-INIZCTEOSA-N 2 1 345.447 -0.303 20 30 EBEDMP COCC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001484447402 1126585281 /nfs/dbraw/zinc/58/52/81/1126585281.db2.gz IKBAJVOGPRAORQ-SJLPKXTDSA-N 2 1 337.464 -0.079 20 30 EBEDMP COCC#CC[N@H+]1CCC[C@@](CO)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001484447402 1126585282 /nfs/dbraw/zinc/58/52/82/1126585282.db2.gz IKBAJVOGPRAORQ-SJLPKXTDSA-N 2 1 337.464 -0.079 20 30 EBEDMP COCC#CC[NH+]1CCC[C@@](CO)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001484447402 1126585283 /nfs/dbraw/zinc/58/52/83/1126585283.db2.gz IKBAJVOGPRAORQ-SJLPKXTDSA-N 2 1 337.464 -0.079 20 30 EBEDMP COCC#CC[NH+]1CCC[C@@](CO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001484447402 1126585284 /nfs/dbraw/zinc/58/52/84/1126585284.db2.gz IKBAJVOGPRAORQ-SJLPKXTDSA-N 2 1 337.464 -0.079 20 30 EBEDMP COCC#CC[NH+]1CCC(CO)(NC(=O)CCC[NH+](C)C)CC1 ZINC001485022899 1126664088 /nfs/dbraw/zinc/66/40/88/1126664088.db2.gz OMRKLINWTCXJLX-UHFFFAOYSA-N 2 1 325.453 -0.079 20 30 EBEDMP CN(C[C@H](O)C[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001369456060 1134795072 /nfs/dbraw/zinc/79/50/72/1134795072.db2.gz AVCVKPMEKHNJCH-IAGOWNOFSA-N 2 1 346.431 -0.202 20 30 EBEDMP CN(C[C@H](O)C[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001369456060 1134795079 /nfs/dbraw/zinc/79/50/79/1134795079.db2.gz AVCVKPMEKHNJCH-IAGOWNOFSA-N 2 1 346.431 -0.202 20 30 EBEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000491702573 379617525 /nfs/dbraw/zinc/61/75/25/379617525.db2.gz WCCORAJFGNHRNK-UHFFFAOYSA-N 2 1 349.479 -0.109 20 30 EBEDMP C#CC[N@@H+](C)CCCNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000491732265 379622194 /nfs/dbraw/zinc/62/21/94/379622194.db2.gz HKQOMXWOAWCEMX-HNNXBMFYSA-N 2 1 337.468 -0.172 20 30 EBEDMP C#CC[NH+](C)CCCNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000491732265 379622202 /nfs/dbraw/zinc/62/22/02/379622202.db2.gz HKQOMXWOAWCEMX-HNNXBMFYSA-N 2 1 337.468 -0.172 20 30 EBEDMP C#CC[NH+](C)CCCNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000491732265 379622218 /nfs/dbraw/zinc/62/22/18/379622218.db2.gz HKQOMXWOAWCEMX-HNNXBMFYSA-N 2 1 337.468 -0.172 20 30 EBEDMP C[C@H]1OCC[C@@H]1[N@H+](CC#CC[NH+](CCO)[C@H]1CCO[C@H]1C)CCO ZINC000342175179 380756927 /nfs/dbraw/zinc/75/69/27/380756927.db2.gz UJWVKVJECOLRGC-MHORFTMASA-N 2 1 340.464 -0.067 20 30 EBEDMP C[C@H]1OCC[C@@H]1[NH+](CC#CC[N@H+](CCO)[C@H]1CCO[C@H]1C)CCO ZINC000342175179 380756935 /nfs/dbraw/zinc/75/69/35/380756935.db2.gz UJWVKVJECOLRGC-MHORFTMASA-N 2 1 340.464 -0.067 20 30 EBEDMP C[C@H]1OCC[C@@H]1[NH+](CC#CC[N@@H+](CCO)[C@H]1CCO[C@H]1C)CCO ZINC000342175179 380756940 /nfs/dbraw/zinc/75/69/40/380756940.db2.gz UJWVKVJECOLRGC-MHORFTMASA-N 2 1 340.464 -0.067 20 30 EBEDMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2C[NH+](C)CCN2C)[N@H+](C)C1 ZINC000328967641 380816670 /nfs/dbraw/zinc/81/66/70/380816670.db2.gz ABULODUEZJDXKX-KKUMJFAQSA-N 2 1 327.473 -0.203 20 30 EBEDMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2C[NH+](C)CCN2C)[N@@H+](C)C1 ZINC000328967641 380816680 /nfs/dbraw/zinc/81/66/80/380816680.db2.gz ABULODUEZJDXKX-KKUMJFAQSA-N 2 1 327.473 -0.203 20 30 EBEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1COC2(CCOCC2)O1 ZINC000305848356 380924762 /nfs/dbraw/zinc/92/47/62/380924762.db2.gz TZQGSQWBASUQAN-AWEZNQCLSA-N 2 1 342.440 -0.465 20 30 EBEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000330008673 381704423 /nfs/dbraw/zinc/70/44/23/381704423.db2.gz FQINRFJHYHDLAU-MRXNPFEDSA-N 2 1 339.484 -0.057 20 30 EBEDMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC1=O ZINC000844195014 584090932 /nfs/dbraw/zinc/09/09/32/584090932.db2.gz PATUMPGERDBJBJ-KBUPBQIOSA-N 2 1 333.436 -0.453 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C1 ZINC000890362682 584694220 /nfs/dbraw/zinc/69/42/20/584694220.db2.gz GMHWNSPUKBNFNQ-HNNXBMFYSA-N 2 1 337.468 -0.255 20 30 EBEDMP CN(C)C(=O)CNC(=[NH+]C1CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000262282138 649986815 /nfs/dbraw/zinc/98/68/15/649986815.db2.gz JIONSHVARXGEKB-AWEZNQCLSA-N 2 1 337.468 -0.163 20 30 EBEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000303768979 649993054 /nfs/dbraw/zinc/99/30/54/649993054.db2.gz ARICWRCJORGWBK-MRXNPFEDSA-N 2 1 341.500 -0.160 20 30 EBEDMP [NH2+]=C(NCCCNC(=O)C1CCC1)NCCC[NH+]1CCOCC1 ZINC000304742808 649993692 /nfs/dbraw/zinc/99/36/92/649993692.db2.gz UPEDOGMZBSMUEZ-UHFFFAOYSA-N 2 1 325.457 -0.081 20 30 EBEDMP C#CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000923405642 650339439 /nfs/dbraw/zinc/33/94/39/650339439.db2.gz TXQQCLSPFCRVCA-HNNXBMFYSA-N 2 1 335.452 -0.277 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000938171128 652116847 /nfs/dbraw/zinc/11/68/47/652116847.db2.gz XMNPKEPPHWWWIR-JYJNAYRXSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000938171128 652116850 /nfs/dbraw/zinc/11/68/50/652116850.db2.gz XMNPKEPPHWWWIR-JYJNAYRXSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000938171128 652116852 /nfs/dbraw/zinc/11/68/52/652116852.db2.gz XMNPKEPPHWWWIR-JYJNAYRXSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000938171128 652116855 /nfs/dbraw/zinc/11/68/55/652116855.db2.gz XMNPKEPPHWWWIR-JYJNAYRXSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000958247534 722333203 /nfs/dbraw/zinc/33/32/03/722333203.db2.gz AKDSKKVYEGBGGQ-CJNGLKHVSA-N 2 1 325.372 -0.077 20 30 EBEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CC[NH+](CC2)C3)C1=O ZINC000962298944 723220617 /nfs/dbraw/zinc/22/06/17/723220617.db2.gz PYMHUFDZFFPTRX-QXSJWSMHSA-N 2 1 344.459 -0.085 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(=O)NC)C[C@H]32)CC1 ZINC000962777505 723322276 /nfs/dbraw/zinc/32/22/76/723322276.db2.gz ORIKHMZIOUFDDX-OJLVUWQFSA-N 2 1 332.448 -0.488 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)CC1 ZINC000962777212 723322357 /nfs/dbraw/zinc/32/23/57/723322357.db2.gz OCCHLSZILKEYJO-TWMKSMIVSA-N 2 1 344.459 -0.391 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@@H](C)C(N)=O)C2 ZINC000963960798 723511703 /nfs/dbraw/zinc/51/17/03/723511703.db2.gz IKWAQYQUWWJQRH-WWUZRQTISA-N 2 1 332.448 -0.025 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@@H](C)C(N)=O)C2 ZINC000963960798 723511704 /nfs/dbraw/zinc/51/17/04/723511704.db2.gz IKWAQYQUWWJQRH-WWUZRQTISA-N 2 1 332.448 -0.025 20 30 EBEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000973964683 725836330 /nfs/dbraw/zinc/83/63/30/725836330.db2.gz KBUTWNTYPGGMIO-QXSJWSMHSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000973964683 725836333 /nfs/dbraw/zinc/83/63/33/725836333.db2.gz KBUTWNTYPGGMIO-QXSJWSMHSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000973964683 725836336 /nfs/dbraw/zinc/83/63/36/725836336.db2.gz KBUTWNTYPGGMIO-QXSJWSMHSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000973964683 725836344 /nfs/dbraw/zinc/83/63/44/725836344.db2.gz KBUTWNTYPGGMIO-QXSJWSMHSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC000993855350 725954428 /nfs/dbraw/zinc/95/44/28/725954428.db2.gz OPFPQYJYSFNHRI-WMLDXEAASA-N 2 1 346.475 -0.144 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC000996683084 726422129 /nfs/dbraw/zinc/42/21/29/726422129.db2.gz ANXDDDOQHLEEQH-CVEARBPZSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC000996683084 726422130 /nfs/dbraw/zinc/42/21/30/726422130.db2.gz ANXDDDOQHLEEQH-CVEARBPZSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000035119 726552075 /nfs/dbraw/zinc/55/20/75/726552075.db2.gz MGFRRJOBGKLRJL-HNNXBMFYSA-N 2 1 328.420 -0.130 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001002834234 726649747 /nfs/dbraw/zinc/64/97/47/726649747.db2.gz CTKCTISCWRUDGI-CVEARBPZSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001002834234 726649748 /nfs/dbraw/zinc/64/97/48/726649748.db2.gz CTKCTISCWRUDGI-CVEARBPZSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001002834234 726649749 /nfs/dbraw/zinc/64/97/49/726649749.db2.gz CTKCTISCWRUDGI-CVEARBPZSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001002834234 726649750 /nfs/dbraw/zinc/64/97/50/726649750.db2.gz CTKCTISCWRUDGI-CVEARBPZSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC2CC[NH+]([C@H]3CCNC3=O)CC2)CC1 ZINC001004208162 726703388 /nfs/dbraw/zinc/70/33/88/726703388.db2.gz NQGOEGVDRJOECG-INIZCTEOSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@H](C)c3nnnn3C)C2)CC1 ZINC001019815155 728998801 /nfs/dbraw/zinc/99/88/01/728998801.db2.gz AHCWNSYLJHNPRO-HIFRSBDPSA-N 2 1 345.451 -0.193 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001022220976 729468522 /nfs/dbraw/zinc/46/85/22/729468522.db2.gz VDXVUDRNZSEIOZ-RQJABVFESA-N 2 1 332.404 -0.874 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001022220976 729468524 /nfs/dbraw/zinc/46/85/24/729468524.db2.gz VDXVUDRNZSEIOZ-RQJABVFESA-N 2 1 332.404 -0.874 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001028601430 730320218 /nfs/dbraw/zinc/32/02/18/730320218.db2.gz OCHHMQUQCSKMEJ-HOTGVXAUSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001028601430 730320220 /nfs/dbraw/zinc/32/02/20/730320220.db2.gz OCHHMQUQCSKMEJ-HOTGVXAUSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC001028601430 730320224 /nfs/dbraw/zinc/32/02/24/730320224.db2.gz OCHHMQUQCSKMEJ-HOTGVXAUSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC001028601430 730320226 /nfs/dbraw/zinc/32/02/26/730320226.db2.gz OCHHMQUQCSKMEJ-HOTGVXAUSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001030019228 730535666 /nfs/dbraw/zinc/53/56/66/730535666.db2.gz YMFCRSHMBFADKA-XHSDSOJGSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001030019228 730535668 /nfs/dbraw/zinc/53/56/68/730535668.db2.gz YMFCRSHMBFADKA-XHSDSOJGSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCCNC2=O)CC1 ZINC001032800275 730934187 /nfs/dbraw/zinc/93/41/87/730934187.db2.gz FECVWNQXGCCQPW-ULQDDVLXSA-N 2 1 344.459 -0.105 20 30 EBEDMP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046037949 733822410 /nfs/dbraw/zinc/82/24/10/733822410.db2.gz CPKBIGFQOKGSSR-KZNAEPCWSA-N 2 1 348.491 -0.053 20 30 EBEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046037949 733822412 /nfs/dbraw/zinc/82/24/12/733822412.db2.gz CPKBIGFQOKGSSR-KZNAEPCWSA-N 2 1 348.491 -0.053 20 30 EBEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046037949 733822414 /nfs/dbraw/zinc/82/24/14/733822414.db2.gz CPKBIGFQOKGSSR-KZNAEPCWSA-N 2 1 348.491 -0.053 20 30 EBEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046037949 733822415 /nfs/dbraw/zinc/82/24/15/733822415.db2.gz CPKBIGFQOKGSSR-KZNAEPCWSA-N 2 1 348.491 -0.053 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048870151 734547586 /nfs/dbraw/zinc/54/75/86/734547586.db2.gz QFLKLVNLCVAHQX-YVSFHVDLSA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048870151 734547590 /nfs/dbraw/zinc/54/75/90/734547590.db2.gz QFLKLVNLCVAHQX-YVSFHVDLSA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048870151 734547593 /nfs/dbraw/zinc/54/75/93/734547593.db2.gz QFLKLVNLCVAHQX-YVSFHVDLSA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048870151 734547594 /nfs/dbraw/zinc/54/75/94/734547594.db2.gz QFLKLVNLCVAHQX-YVSFHVDLSA-N 2 1 344.459 -0.247 20 30 EBEDMP C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001055629682 736414753 /nfs/dbraw/zinc/41/47/53/736414753.db2.gz HKLRTKZUTINCJH-UKRRQHHQSA-N 2 1 335.452 -0.063 20 30 EBEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958941 740634518 /nfs/dbraw/zinc/63/45/18/740634518.db2.gz UPVYZPMJJQJKFN-LVQVYYBASA-N 2 1 348.451 -0.085 20 30 EBEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958941 740634520 /nfs/dbraw/zinc/63/45/20/740634520.db2.gz UPVYZPMJJQJKFN-LVQVYYBASA-N 2 1 348.451 -0.085 20 30 EBEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958941 740634522 /nfs/dbraw/zinc/63/45/22/740634522.db2.gz UPVYZPMJJQJKFN-LVQVYYBASA-N 2 1 348.451 -0.085 20 30 EBEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958941 740634523 /nfs/dbraw/zinc/63/45/23/740634523.db2.gz UPVYZPMJJQJKFN-LVQVYYBASA-N 2 1 348.451 -0.085 20 30 EBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070078108 740686225 /nfs/dbraw/zinc/68/62/25/740686225.db2.gz WAZFPRNFAGJPLJ-CABCVRRESA-N 2 1 328.420 -0.261 20 30 EBEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001070329715 740788300 /nfs/dbraw/zinc/78/83/00/740788300.db2.gz DKWQAYLSADVVMR-PMPSAXMXSA-N 2 1 348.451 -0.084 20 30 EBEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001070329715 740788305 /nfs/dbraw/zinc/78/83/05/740788305.db2.gz DKWQAYLSADVVMR-PMPSAXMXSA-N 2 1 348.451 -0.084 20 30 EBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001070505863 740851955 /nfs/dbraw/zinc/85/19/55/740851955.db2.gz MEINIYGZOHNOHT-YALNPMBYSA-N 2 1 345.447 -0.344 20 30 EBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001070505863 740851958 /nfs/dbraw/zinc/85/19/58/740851958.db2.gz MEINIYGZOHNOHT-YALNPMBYSA-N 2 1 345.447 -0.344 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CC(=O)N(C)C)C3)CC1 ZINC001073455708 741617275 /nfs/dbraw/zinc/61/72/75/741617275.db2.gz MNZARPPVGVZAJX-UHFFFAOYSA-N 2 1 346.475 -0.046 20 30 EBEDMP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214855734 810286311 /nfs/dbraw/zinc/28/63/11/810286311.db2.gz MHRYERTUDQMOLC-MCIONIFRSA-N 2 1 344.419 -0.163 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CC(N)=O)C2)CC1 ZINC001036902388 811308501 /nfs/dbraw/zinc/30/85/01/811308501.db2.gz JXNZHSLLYWWJLN-HOTGVXAUSA-N 2 1 332.448 -0.260 20 30 EBEDMP C[NH+](C)C1(C(=O)NCC2CC[NH+](CC(=O)NCC#N)CC2)CCC1 ZINC001223471881 811708458 /nfs/dbraw/zinc/70/84/58/811708458.db2.gz GWQJWHLDAQGROH-UHFFFAOYSA-N 2 1 335.452 -0.061 20 30 EBEDMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001223707689 811725872 /nfs/dbraw/zinc/72/58/72/811725872.db2.gz YJKFGYBCINDEGZ-CABCVRRESA-N 2 1 335.452 -0.109 20 30 EBEDMP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001223707689 811725878 /nfs/dbraw/zinc/72/58/78/811725878.db2.gz YJKFGYBCINDEGZ-CABCVRRESA-N 2 1 335.452 -0.109 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001225168173 811797102 /nfs/dbraw/zinc/79/71/02/811797102.db2.gz OTGSDTSCXYHWCF-MRXNPFEDSA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001263878074 813132493 /nfs/dbraw/zinc/13/24/93/813132493.db2.gz KRPJUOAGYLTCGJ-QKPAOTATSA-N 2 1 334.464 -0.050 20 30 EBEDMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001265448160 813326030 /nfs/dbraw/zinc/32/60/30/813326030.db2.gz MEGFALXSENHIBK-ZDUSSCGKSA-N 2 1 332.408 -0.163 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001265613105 813350710 /nfs/dbraw/zinc/35/07/10/813350710.db2.gz IPBZNECDLIXRCV-KGLIPLIRSA-N 2 1 349.435 -0.893 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001265613105 813350717 /nfs/dbraw/zinc/35/07/17/813350717.db2.gz IPBZNECDLIXRCV-KGLIPLIRSA-N 2 1 349.435 -0.893 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266901118 813696254 /nfs/dbraw/zinc/69/62/54/813696254.db2.gz RPRQJDBDXAMVJR-MNLARUNXSA-N 2 1 344.459 -0.488 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001267044488 813745198 /nfs/dbraw/zinc/74/51/98/813745198.db2.gz JDPJTNIAODCFMG-CVEARBPZSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001267044488 813745202 /nfs/dbraw/zinc/74/52/02/813745202.db2.gz JDPJTNIAODCFMG-CVEARBPZSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001083084978 814118824 /nfs/dbraw/zinc/11/88/24/814118824.db2.gz QUEIJGFUXWVIFX-DLBZAZTESA-N 2 1 345.447 -0.007 20 30 EBEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001083084978 814118830 /nfs/dbraw/zinc/11/88/30/814118830.db2.gz QUEIJGFUXWVIFX-DLBZAZTESA-N 2 1 345.447 -0.007 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)CC1 ZINC001268333379 814212776 /nfs/dbraw/zinc/21/27/76/814212776.db2.gz DHLLGCYOAYZFJN-HNNXBMFYSA-N 2 1 331.420 -0.612 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCN1C(=O)CNC1=O ZINC001268373040 814224721 /nfs/dbraw/zinc/22/47/21/814224721.db2.gz KGFJOBLSJINNCX-KBPBESRZSA-N 2 1 349.435 -0.880 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCN1C(=O)CNC1=O ZINC001268373040 814224729 /nfs/dbraw/zinc/22/47/29/814224729.db2.gz KGFJOBLSJINNCX-KBPBESRZSA-N 2 1 349.435 -0.880 20 30 EBEDMP N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001268555433 814290739 /nfs/dbraw/zinc/29/07/39/814290739.db2.gz ITCIABUXLOFWOX-TZARZLCXSA-N 2 1 333.436 -0.095 20 30 EBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522901 814520722 /nfs/dbraw/zinc/52/07/22/814520722.db2.gz CFZYKFLTTVKZOT-IKGGRYGDSA-N 2 1 335.448 -0.186 20 30 EBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522901 814520725 /nfs/dbraw/zinc/52/07/25/814520725.db2.gz CFZYKFLTTVKZOT-IKGGRYGDSA-N 2 1 335.448 -0.186 20 30 EBEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522901 814520731 /nfs/dbraw/zinc/52/07/31/814520731.db2.gz CFZYKFLTTVKZOT-IKGGRYGDSA-N 2 1 335.448 -0.186 20 30 EBEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522901 814520735 /nfs/dbraw/zinc/52/07/35/814520735.db2.gz CFZYKFLTTVKZOT-IKGGRYGDSA-N 2 1 335.448 -0.186 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001269980377 815654965 /nfs/dbraw/zinc/65/49/65/815654965.db2.gz GHHZKTTVGDSEGV-GXTWGEPZSA-N 2 1 332.408 -0.200 20 30 EBEDMP CC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[NH+](CC(=O)NCC#N)CC1 ZINC001270231941 815731705 /nfs/dbraw/zinc/73/17/05/815731705.db2.gz OIUDKWYZBKTCAY-HNNXBMFYSA-N 2 1 347.463 -0.061 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086109956 816232573 /nfs/dbraw/zinc/23/25/73/816232573.db2.gz NJLWFPODZHFSIL-XHSDSOJGSA-N 2 1 347.463 -0.406 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086109956 816232579 /nfs/dbraw/zinc/23/25/79/816232579.db2.gz NJLWFPODZHFSIL-XHSDSOJGSA-N 2 1 347.463 -0.406 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC(=O)NCC#N)C1 ZINC001272222762 816358535 /nfs/dbraw/zinc/35/85/35/816358535.db2.gz AEONRORUNRWVDX-GJZGRUSLSA-N 2 1 344.419 -0.246 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC(=O)NCC#N)C1 ZINC001272222762 816358543 /nfs/dbraw/zinc/35/85/43/816358543.db2.gz AEONRORUNRWVDX-GJZGRUSLSA-N 2 1 344.419 -0.246 20 30 EBEDMP C=CCOC[C@H](O)C[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001274606209 817035375 /nfs/dbraw/zinc/03/53/75/817035375.db2.gz WZCLMOUNNCOGRL-CQSZACIVSA-N 2 1 327.425 -0.975 20 30 EBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001090635934 817600906 /nfs/dbraw/zinc/60/09/06/817600906.db2.gz AEHVUGRAVIOECC-CVEARBPZSA-N 2 1 333.436 -0.367 20 30 EBEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001090636571 817601475 /nfs/dbraw/zinc/60/14/75/817601475.db2.gz GACXZKRHSZAUOA-HOTGVXAUSA-N 2 1 333.436 -0.367 20 30 EBEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001090636571 817601478 /nfs/dbraw/zinc/60/14/78/817601478.db2.gz GACXZKRHSZAUOA-HOTGVXAUSA-N 2 1 333.436 -0.367 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001278838053 817857846 /nfs/dbraw/zinc/85/78/46/817857846.db2.gz GHEMOQCTQRLVPI-LSDHHAIUSA-N 2 1 338.452 -0.981 20 30 EBEDMP COCC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001278873128 817877403 /nfs/dbraw/zinc/87/74/03/817877403.db2.gz AQNXQCGALSOLEZ-CVEARBPZSA-N 2 1 325.453 -0.271 20 30 EBEDMP COCC#CC[NH+](C)C[C@H](O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001278873128 817877412 /nfs/dbraw/zinc/87/74/12/817877412.db2.gz AQNXQCGALSOLEZ-CVEARBPZSA-N 2 1 325.453 -0.271 20 30 EBEDMP COCC#CC[NH+](C)C[C@H](O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001278873128 817877420 /nfs/dbraw/zinc/87/74/20/817877420.db2.gz AQNXQCGALSOLEZ-CVEARBPZSA-N 2 1 325.453 -0.271 20 30 EBEDMP C[N@@H+]1CCO[C@H](C(=O)N(CCO)CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001279680581 817967735 /nfs/dbraw/zinc/96/77/35/817967735.db2.gz QSXUJCHSDIBQDJ-KRWDZBQOSA-N 2 1 346.431 -0.201 20 30 EBEDMP C[N@H+]1CCO[C@H](C(=O)N(CCO)CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001279680581 817967740 /nfs/dbraw/zinc/96/77/40/817967740.db2.gz QSXUJCHSDIBQDJ-KRWDZBQOSA-N 2 1 346.431 -0.201 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001281800965 818281351 /nfs/dbraw/zinc/28/13/51/818281351.db2.gz NEQLURYAFXUGJV-OAGGEKHMSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001281800965 818281359 /nfs/dbraw/zinc/28/13/59/818281359.db2.gz NEQLURYAFXUGJV-OAGGEKHMSA-N 2 1 334.464 -0.001 20 30 EBEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001282872817 818511786 /nfs/dbraw/zinc/51/17/86/818511786.db2.gz CJGMUXWGWNPQBP-PHZGNYQRSA-N 2 1 334.464 -0.076 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001282958566 818549364 /nfs/dbraw/zinc/54/93/64/818549364.db2.gz PHGCNCGWXPRDPK-JYJNAYRXSA-N 2 1 334.464 -0.096 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001283712806 818914165 /nfs/dbraw/zinc/91/41/65/818914165.db2.gz CSGNVRDZBNCQEW-CHWSQXEVSA-N 2 1 339.440 -0.614 20 30 EBEDMP COCC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001098560864 819244616 /nfs/dbraw/zinc/24/46/16/819244616.db2.gz FLYWAKKTOTXJSC-INIZCTEOSA-N 2 1 337.464 -0.127 20 30 EBEDMP COCC#CC[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001098560864 819244622 /nfs/dbraw/zinc/24/46/22/819244622.db2.gz FLYWAKKTOTXJSC-INIZCTEOSA-N 2 1 337.464 -0.127 20 30 EBEDMP COCC#CC[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001098560864 819244629 /nfs/dbraw/zinc/24/46/29/819244629.db2.gz FLYWAKKTOTXJSC-INIZCTEOSA-N 2 1 337.464 -0.127 20 30 EBEDMP CN(C(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CC([NH2+]CC(=O)NCC#N)C1 ZINC001284814735 819358946 /nfs/dbraw/zinc/35/89/46/819358946.db2.gz BEELYGJGKBXKNM-KVULBXGLSA-N 2 1 333.436 -0.309 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001285662030 819712792 /nfs/dbraw/zinc/71/27/92/819712792.db2.gz MAQHOJGPPQKSDA-CABCVRRESA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001285662030 819712798 /nfs/dbraw/zinc/71/27/98/819712798.db2.gz MAQHOJGPPQKSDA-CABCVRRESA-N 2 1 332.448 -0.199 20 30 EBEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100023181 820056977 /nfs/dbraw/zinc/05/69/77/820056977.db2.gz XYVFFGYXPKCRRE-DLBZAZTESA-N 2 1 337.464 -0.081 20 30 EBEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100023181 820056986 /nfs/dbraw/zinc/05/69/86/820056986.db2.gz XYVFFGYXPKCRRE-DLBZAZTESA-N 2 1 337.464 -0.081 20 30 EBEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100080707 820178788 /nfs/dbraw/zinc/17/87/88/820178788.db2.gz LQJIQFYKMUGEGE-HZPDHXFCSA-N 2 1 325.453 -0.081 20 30 EBEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100080707 820178790 /nfs/dbraw/zinc/17/87/90/820178790.db2.gz LQJIQFYKMUGEGE-HZPDHXFCSA-N 2 1 325.453 -0.081 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC#CCOC)C[C@@H]2O)CC1 ZINC001100122252 820250930 /nfs/dbraw/zinc/25/09/30/820250930.db2.gz ORJRTDCTHIZDIG-MSOLQXFVSA-N 2 1 347.459 -0.467 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC#CCOC)C[C@@H]2O)CC1 ZINC001100122252 820250937 /nfs/dbraw/zinc/25/09/37/820250937.db2.gz ORJRTDCTHIZDIG-MSOLQXFVSA-N 2 1 347.459 -0.467 20 30 EBEDMP COCC#CC[NH2+]C1CC(CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001100401798 820403510 /nfs/dbraw/zinc/40/35/10/820403510.db2.gz KQWIQVIYISPTFM-JCYILVPMSA-N 2 1 347.463 -0.053 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514080 821135127 /nfs/dbraw/zinc/13/51/27/821135127.db2.gz LSHXYQMRIJDTRY-OWCLPIDISA-N 2 1 334.464 -0.238 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102514080 821135132 /nfs/dbraw/zinc/13/51/32/821135132.db2.gz LSHXYQMRIJDTRY-OWCLPIDISA-N 2 1 334.464 -0.238 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102514080 821135135 /nfs/dbraw/zinc/13/51/35/821135135.db2.gz LSHXYQMRIJDTRY-OWCLPIDISA-N 2 1 334.464 -0.238 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2C[C@H](O)COC)CC1 ZINC001316609681 821814465 /nfs/dbraw/zinc/81/44/65/821814465.db2.gz FHSRQZHDDYAAKI-SJORKVTESA-N 2 1 337.464 -0.128 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](CCCOC)CC1 ZINC001316965183 821948307 /nfs/dbraw/zinc/94/83/07/821948307.db2.gz SYLVMQYLTQHLDA-KRWDZBQOSA-N 2 1 336.480 -0.146 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](CCCOC)CC1 ZINC001316965183 821948311 /nfs/dbraw/zinc/94/83/11/821948311.db2.gz SYLVMQYLTQHLDA-KRWDZBQOSA-N 2 1 336.480 -0.146 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001317018430 821975828 /nfs/dbraw/zinc/97/58/28/821975828.db2.gz GAYJMFBDLUNYTE-UKRRQHHQSA-N 2 1 331.420 -0.186 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001317082193 821997730 /nfs/dbraw/zinc/99/77/30/821997730.db2.gz XLSZZTKNFCKFPG-AVGNSLFASA-N 2 1 347.419 -0.276 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001317214414 822039835 /nfs/dbraw/zinc/03/98/35/822039835.db2.gz MQRIBFZKDDMOTH-LSPIHWNJSA-N 2 1 332.448 -0.345 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001317214414 822039842 /nfs/dbraw/zinc/03/98/42/822039842.db2.gz MQRIBFZKDDMOTH-LSPIHWNJSA-N 2 1 332.448 -0.345 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CCOCCO)C2)CC1 ZINC001318445376 822316377 /nfs/dbraw/zinc/31/63/77/822316377.db2.gz MDYJOHFUEZIWSN-QGZVFWFLSA-N 2 1 337.464 -0.127 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129387354 828610964 /nfs/dbraw/zinc/61/09/64/828610964.db2.gz ULJPRSQJIRPEGT-UONOGXRCSA-N 2 1 336.440 -0.790 20 30 EBEDMP C=CCC[NH+]1CC(N2C[C@@H](NC(=O)COCC[NH+](C)C)CC2=O)C1 ZINC001108584682 824395993 /nfs/dbraw/zinc/39/59/93/824395993.db2.gz LEFAZMBUTDVHCN-AWEZNQCLSA-N 2 1 338.452 -0.458 20 30 EBEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717416 828658458 /nfs/dbraw/zinc/65/84/58/828658458.db2.gz KOLBKRWWWNIANS-ILXRZTDVSA-N 2 1 334.424 -0.474 20 30 EBEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717416 828658463 /nfs/dbraw/zinc/65/84/63/828658463.db2.gz KOLBKRWWWNIANS-ILXRZTDVSA-N 2 1 334.424 -0.474 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCNCc1nc(C2CC2)nn1C ZINC001129770331 828666478 /nfs/dbraw/zinc/66/64/78/828666478.db2.gz DOAGWBODFZNOTA-AWEZNQCLSA-N 2 1 330.436 -0.004 20 30 EBEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001130249188 828766348 /nfs/dbraw/zinc/76/63/48/828766348.db2.gz OBROFPYKAHHMCJ-IHRRRGAJSA-N 2 1 346.435 -0.532 20 30 EBEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001130249188 828766352 /nfs/dbraw/zinc/76/63/52/828766352.db2.gz OBROFPYKAHHMCJ-IHRRRGAJSA-N 2 1 346.435 -0.532 20 30 EBEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001130249188 828766357 /nfs/dbraw/zinc/76/63/57/828766357.db2.gz OBROFPYKAHHMCJ-IHRRRGAJSA-N 2 1 346.435 -0.532 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130419153 828827138 /nfs/dbraw/zinc/82/71/38/828827138.db2.gz MYFLAGNIKFWEFI-UHFFFAOYSA-N 2 1 327.429 -0.566 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001114353323 826211861 /nfs/dbraw/zinc/21/18/61/826211861.db2.gz PZKGNXWUAYCTJP-KNCOVGOOSA-N 2 1 338.427 -0.538 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001114353323 826211870 /nfs/dbraw/zinc/21/18/70/826211870.db2.gz PZKGNXWUAYCTJP-KNCOVGOOSA-N 2 1 338.427 -0.538 20 30 EBEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)CC[N@@H+]1C ZINC001114732449 826327118 /nfs/dbraw/zinc/32/71/18/826327118.db2.gz HLADGYHITKHFQS-GRYWWWGRSA-N 2 1 333.436 -0.597 20 30 EBEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)CC[N@H+]1C ZINC001114732449 826327123 /nfs/dbraw/zinc/32/71/23/826327123.db2.gz HLADGYHITKHFQS-GRYWWWGRSA-N 2 1 333.436 -0.597 20 30 EBEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)CC[NH+]1C ZINC001114732449 826327128 /nfs/dbraw/zinc/32/71/28/826327128.db2.gz HLADGYHITKHFQS-GRYWWWGRSA-N 2 1 333.436 -0.597 20 30 EBEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)CC[NH+]1C ZINC001114732449 826327132 /nfs/dbraw/zinc/32/71/32/826327132.db2.gz HLADGYHITKHFQS-GRYWWWGRSA-N 2 1 333.436 -0.597 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001115298319 826500940 /nfs/dbraw/zinc/50/09/40/826500940.db2.gz NKLZZNVQCOOREP-HALDLXJZSA-N 2 1 333.436 -0.451 20 30 EBEDMP N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001115298319 826500949 /nfs/dbraw/zinc/50/09/49/826500949.db2.gz NKLZZNVQCOOREP-HALDLXJZSA-N 2 1 333.436 -0.451 20 30 EBEDMP COCC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001120878563 827268396 /nfs/dbraw/zinc/26/83/96/827268396.db2.gz JFYDOUZEJKNASK-LMBQMVEXSA-N 2 1 335.448 -0.016 20 30 EBEDMP COCC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001120878563 827268406 /nfs/dbraw/zinc/26/84/06/827268406.db2.gz JFYDOUZEJKNASK-LMBQMVEXSA-N 2 1 335.448 -0.016 20 30 EBEDMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC3(C2)CC([NH2+]CC(=O)NCC#N)C3)C1 ZINC001121774064 827446735 /nfs/dbraw/zinc/44/67/35/827446735.db2.gz XJRHUAKKWCGUKN-OQDWRCPYSA-N 2 1 347.463 -0.015 20 30 EBEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NCC#N)C2 ZINC001121772861 827447211 /nfs/dbraw/zinc/44/72/11/827447211.db2.gz IZUXCNZCMRJDFY-LLHKYXTOSA-N 2 1 347.463 -0.159 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001183361485 833288234 /nfs/dbraw/zinc/28/82/34/833288234.db2.gz WTKVGYFTIXRYLI-KGLIPLIRSA-N 2 1 345.403 -0.099 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001183361485 833288237 /nfs/dbraw/zinc/28/82/37/833288237.db2.gz WTKVGYFTIXRYLI-KGLIPLIRSA-N 2 1 345.403 -0.099 20 30 EBEDMP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132426128 829454732 /nfs/dbraw/zinc/45/47/32/829454732.db2.gz SECYWOATBLIEFJ-CABCVRRESA-N 2 1 340.468 -0.164 20 30 EBEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132426128 829454737 /nfs/dbraw/zinc/45/47/37/829454737.db2.gz SECYWOATBLIEFJ-CABCVRRESA-N 2 1 340.468 -0.164 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147724232 830401390 /nfs/dbraw/zinc/40/13/90/830401390.db2.gz ICJBCLIYDTVBHG-ZBFHGGJFSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)CN1CCC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001147724930 830401830 /nfs/dbraw/zinc/40/18/30/830401830.db2.gz NUHNLRDIGRBDKW-UHFFFAOYSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001147724930 830401846 /nfs/dbraw/zinc/40/18/46/830401846.db2.gz NUHNLRDIGRBDKW-UHFFFAOYSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001147724930 830401851 /nfs/dbraw/zinc/40/18/51/830401851.db2.gz NUHNLRDIGRBDKW-UHFFFAOYSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001147724930 830401855 /nfs/dbraw/zinc/40/18/55/830401855.db2.gz NUHNLRDIGRBDKW-UHFFFAOYSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001148292892 830466891 /nfs/dbraw/zinc/46/68/91/830466891.db2.gz ZCSREWIFBKSEKS-GJZGRUSLSA-N 2 1 332.448 -0.532 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001148292892 830466893 /nfs/dbraw/zinc/46/68/93/830466893.db2.gz ZCSREWIFBKSEKS-GJZGRUSLSA-N 2 1 332.448 -0.532 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001148292892 830466896 /nfs/dbraw/zinc/46/68/96/830466896.db2.gz ZCSREWIFBKSEKS-GJZGRUSLSA-N 2 1 332.448 -0.532 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001148292892 830466899 /nfs/dbraw/zinc/46/68/99/830466899.db2.gz ZCSREWIFBKSEKS-GJZGRUSLSA-N 2 1 332.448 -0.532 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240282 830845317 /nfs/dbraw/zinc/84/53/17/830845317.db2.gz DTXHFXMUHRDBQC-CABCVRRESA-N 2 1 340.468 -0.164 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240282 830845324 /nfs/dbraw/zinc/84/53/24/830845324.db2.gz DTXHFXMUHRDBQC-CABCVRRESA-N 2 1 340.468 -0.164 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2nnc(CC)n2C)CC1 ZINC001152334685 831153404 /nfs/dbraw/zinc/15/34/04/831153404.db2.gz NZWAILYUASKQPE-UHFFFAOYSA-N 2 1 332.452 -0.072 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001152452164 831164559 /nfs/dbraw/zinc/16/45/59/831164559.db2.gz VKYXGAZRQAUGCG-CYBMUJFWSA-N 2 1 339.440 -0.422 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCN1CCNC1=O ZINC001153864527 831281094 /nfs/dbraw/zinc/28/10/94/831281094.db2.gz WWHOGDLHKWYKJL-CVEARBPZSA-N 2 1 349.479 -0.064 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCN1CCNC1=O ZINC001153864527 831281097 /nfs/dbraw/zinc/28/10/97/831281097.db2.gz WWHOGDLHKWYKJL-CVEARBPZSA-N 2 1 349.479 -0.064 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCN1CCNC1=O ZINC001153864527 831281099 /nfs/dbraw/zinc/28/10/99/831281099.db2.gz WWHOGDLHKWYKJL-CVEARBPZSA-N 2 1 349.479 -0.064 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCN1CCNC1=O ZINC001153864527 831281102 /nfs/dbraw/zinc/28/11/02/831281102.db2.gz WWHOGDLHKWYKJL-CVEARBPZSA-N 2 1 349.479 -0.064 20 30 EBEDMP CC[N@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156383948 831473746 /nfs/dbraw/zinc/47/37/46/831473746.db2.gz VJIJFXUQMSAUNE-CYBMUJFWSA-N 2 1 327.429 -0.969 20 30 EBEDMP CC[N@@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156383948 831473748 /nfs/dbraw/zinc/47/37/48/831473748.db2.gz VJIJFXUQMSAUNE-CYBMUJFWSA-N 2 1 327.429 -0.969 20 30 EBEDMP C#C[C@](C)(N)C(=O)N1CC[C@@H](N2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001159075259 831706682 /nfs/dbraw/zinc/70/66/82/831706682.db2.gz FLCULKMOTORULG-COXVUDFISA-N 2 1 337.420 -0.408 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001160209517 831824731 /nfs/dbraw/zinc/82/47/31/831824731.db2.gz OBYAGDNQLQPXOQ-HOTGVXAUSA-N 2 1 333.436 -0.563 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001160209517 831824736 /nfs/dbraw/zinc/82/47/36/831824736.db2.gz OBYAGDNQLQPXOQ-HOTGVXAUSA-N 2 1 333.436 -0.563 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCN(CC=C)C1=O ZINC001160209274 831824865 /nfs/dbraw/zinc/82/48/65/831824865.db2.gz GJGBPNHNWUJKBT-HOTGVXAUSA-N 2 1 332.448 -0.033 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCN(CC=C)C1=O ZINC001160209274 831824872 /nfs/dbraw/zinc/82/48/72/831824872.db2.gz GJGBPNHNWUJKBT-HOTGVXAUSA-N 2 1 332.448 -0.033 20 30 EBEDMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC001351679281 832269110 /nfs/dbraw/zinc/26/91/10/832269110.db2.gz LUCKBIXYAOYIGC-OAHLLOKOSA-N 2 1 338.452 -0.189 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001166707525 832281144 /nfs/dbraw/zinc/28/11/44/832281144.db2.gz GZYJQUWWSBZBJY-OLZOCXBDSA-N 2 1 339.440 -0.708 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176096541 832657467 /nfs/dbraw/zinc/65/74/67/832657467.db2.gz UXZVVSZIFSGWRZ-OLZOCXBDSA-N 2 1 339.440 -0.566 20 30 EBEDMP C[N@H+](CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)Cc1ccccc1 ZINC001188361141 834037222 /nfs/dbraw/zinc/03/72/22/834037222.db2.gz DWLHVSWPLGNSHT-MRXNPFEDSA-N 2 1 343.431 -0.051 20 30 EBEDMP C[N@@H+](CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)Cc1ccccc1 ZINC001188361141 834037228 /nfs/dbraw/zinc/03/72/28/834037228.db2.gz DWLHVSWPLGNSHT-MRXNPFEDSA-N 2 1 343.431 -0.051 20 30 EBEDMP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001189881260 834204670 /nfs/dbraw/zinc/20/46/70/834204670.db2.gz QKKYDANOFFSWOV-LSDHHAIUSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[NH+](C)CCCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001189881260 834204676 /nfs/dbraw/zinc/20/46/76/834204676.db2.gz QKKYDANOFFSWOV-LSDHHAIUSA-N 2 1 335.452 -0.109 20 30 EBEDMP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001189891114 834206331 /nfs/dbraw/zinc/20/63/31/834206331.db2.gz OUSKPVPQWKFEQU-LSDHHAIUSA-N 2 1 335.452 -0.109 20 30 EBEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001189891114 834206334 /nfs/dbraw/zinc/20/63/34/834206334.db2.gz OUSKPVPQWKFEQU-LSDHHAIUSA-N 2 1 335.452 -0.109 20 30 EBEDMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001189891114 834206336 /nfs/dbraw/zinc/20/63/36/834206336.db2.gz OUSKPVPQWKFEQU-LSDHHAIUSA-N 2 1 335.452 -0.109 20 30 EBEDMP CCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001189891114 834206339 /nfs/dbraw/zinc/20/63/39/834206339.db2.gz OUSKPVPQWKFEQU-LSDHHAIUSA-N 2 1 335.452 -0.109 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)CC(=O)NCC=C)C1 ZINC001190724908 834324781 /nfs/dbraw/zinc/32/47/81/834324781.db2.gz NHSVZJVSADBWHP-CVEARBPZSA-N 2 1 332.448 -0.081 20 30 EBEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488059 834888300 /nfs/dbraw/zinc/88/83/00/834888300.db2.gz LMIORPVXZMWSEX-GJZGRUSLSA-N 2 1 340.468 -0.212 20 30 EBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CCCO1 ZINC001200688318 836014826 /nfs/dbraw/zinc/01/48/26/836014826.db2.gz NGYFXCMQVJEAEA-CVEARBPZSA-N 2 1 333.436 -0.346 20 30 EBEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201229959 836113785 /nfs/dbraw/zinc/11/37/85/836113785.db2.gz JGQCEPBWSRSJGP-UKRRQHHQSA-N 2 1 338.452 -0.412 20 30 EBEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201229959 836113789 /nfs/dbraw/zinc/11/37/89/836113789.db2.gz JGQCEPBWSRSJGP-UKRRQHHQSA-N 2 1 338.452 -0.412 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001201632246 836169998 /nfs/dbraw/zinc/16/99/98/836169998.db2.gz TUEGWMPCRSJURL-CQSZACIVSA-N 2 1 331.420 -0.090 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCCO1 ZINC001202165969 836266540 /nfs/dbraw/zinc/26/65/40/836266540.db2.gz SVYHBMOCLJJXKB-HNNXBMFYSA-N 2 1 338.452 -0.717 20 30 EBEDMP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)CC[N@H+]1C ZINC001202179612 836269987 /nfs/dbraw/zinc/26/99/87/836269987.db2.gz ZIXXEIZQZNEBQP-KBPBESRZSA-N 2 1 335.452 -0.063 20 30 EBEDMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203576948 836448989 /nfs/dbraw/zinc/44/89/89/836448989.db2.gz LTQQITRYLKJHLW-KBPBESRZSA-N 2 1 335.452 -0.015 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001203798390 836479045 /nfs/dbraw/zinc/47/90/45/836479045.db2.gz SVMDZRQWZVYTIJ-OAHLLOKOSA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001203798390 836479048 /nfs/dbraw/zinc/47/90/48/836479048.db2.gz SVMDZRQWZVYTIJ-OAHLLOKOSA-N 2 1 336.436 -0.963 20 30 EBEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001203798433 836479484 /nfs/dbraw/zinc/47/94/84/836479484.db2.gz UPKUTZXBMAUXPR-OAHLLOKOSA-N 2 1 338.452 -0.410 20 30 EBEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001203798433 836479488 /nfs/dbraw/zinc/47/94/88/836479488.db2.gz UPKUTZXBMAUXPR-OAHLLOKOSA-N 2 1 338.452 -0.410 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001206872725 836686148 /nfs/dbraw/zinc/68/61/48/836686148.db2.gz RBWDDUOLDXHQMV-INIZCTEOSA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001208352783 837006037 /nfs/dbraw/zinc/00/60/37/837006037.db2.gz OMAOLCLFNHKEKA-GJZGRUSLSA-N 2 1 331.420 -0.696 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001208352783 837006047 /nfs/dbraw/zinc/00/60/47/837006047.db2.gz OMAOLCLFNHKEKA-GJZGRUSLSA-N 2 1 331.420 -0.696 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001210132989 837242738 /nfs/dbraw/zinc/24/27/38/837242738.db2.gz KKOFDXZUQOAYQC-HNNXBMFYSA-N 2 1 336.436 -0.961 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCN1C(=O)CCC1=O ZINC001319198513 838085529 /nfs/dbraw/zinc/08/55/29/838085529.db2.gz VPAWITISKARTJI-CABCVRRESA-N 2 1 348.447 -0.425 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCN1C(=O)CCC1=O ZINC001319198513 838085543 /nfs/dbraw/zinc/08/55/43/838085543.db2.gz VPAWITISKARTJI-CABCVRRESA-N 2 1 348.447 -0.425 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]21 ZINC001320112698 838232249 /nfs/dbraw/zinc/23/22/49/838232249.db2.gz FGAUFFQOLPDIGG-HUUCEWRRSA-N 2 1 333.436 -0.355 20 30 EBEDMP C=CCS(=O)(=O)CC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC001320137598 838237841 /nfs/dbraw/zinc/23/78/41/838237841.db2.gz UXQMLDAEFFCZPU-UHFFFAOYSA-N 2 1 345.509 -0.027 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001323556817 839471628 /nfs/dbraw/zinc/47/16/28/839471628.db2.gz YFJUWXORDBWRLQ-UHFFFAOYSA-N 2 1 331.420 -0.006 20 30 EBEDMP C=CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001325125712 839792724 /nfs/dbraw/zinc/79/27/24/839792724.db2.gz HURRKRILHKKNAS-WBVHZDCISA-N 2 1 340.468 -0.572 20 30 EBEDMP C=CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001325125712 839792732 /nfs/dbraw/zinc/79/27/32/839792732.db2.gz HURRKRILHKKNAS-WBVHZDCISA-N 2 1 340.468 -0.572 20 30 EBEDMP N#CCNC(=O)C[NH+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001326603227 840147901 /nfs/dbraw/zinc/14/79/01/840147901.db2.gz HZASXBXHPCKZQL-UHFFFAOYSA-N 2 1 345.447 -0.354 20 30 EBEDMP C[N@@H+](CC(=O)NCC#N)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001328780580 840749678 /nfs/dbraw/zinc/74/96/78/840749678.db2.gz NNGBKBLHUVGRAI-GJZGRUSLSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[N@H+](CC(=O)NCC#N)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001328780580 840749680 /nfs/dbraw/zinc/74/96/80/840749680.db2.gz NNGBKBLHUVGRAI-GJZGRUSLSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[NH+](CC(=O)NCC#N)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001328780580 840749684 /nfs/dbraw/zinc/74/96/84/840749684.db2.gz NNGBKBLHUVGRAI-GJZGRUSLSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[NH+](CC(=O)NCC#N)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001328780580 840749685 /nfs/dbraw/zinc/74/96/85/840749685.db2.gz NNGBKBLHUVGRAI-GJZGRUSLSA-N 2 1 335.452 -0.109 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001331803974 841505302 /nfs/dbraw/zinc/50/53/02/841505302.db2.gz JZKHTOUKBDHIHN-LSDHHAIUSA-N 2 1 338.452 -0.935 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001331803974 841505312 /nfs/dbraw/zinc/50/53/12/841505312.db2.gz JZKHTOUKBDHIHN-LSDHHAIUSA-N 2 1 338.452 -0.935 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[NH2+]Cc2nncn2C)CC1 ZINC001332607398 841688182 /nfs/dbraw/zinc/68/81/82/841688182.db2.gz SSNVOKFBLGJVKI-OAHLLOKOSA-N 2 1 348.451 -0.931 20 30 EBEDMP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001337078233 842574017 /nfs/dbraw/zinc/57/40/17/842574017.db2.gz SZPBQFVFBRZCKO-SFHVURJKSA-N 2 1 348.491 -0.098 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001691166975 1125840222 /nfs/dbraw/zinc/84/02/22/1125840222.db2.gz HAZLPFPVHFMXGQ-FZKCQIBNSA-N 2 1 334.464 -0.050 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001691166978 1125840266 /nfs/dbraw/zinc/84/02/66/1125840266.db2.gz HAZLPFPVHFMXGQ-VGWMRTNUSA-N 2 1 334.464 -0.050 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001481117640 1125925665 /nfs/dbraw/zinc/92/56/65/1125925665.db2.gz CJOWEYXPIXWSCX-CABCVRRESA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CCNC(=O)C[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001481170297 1125933268 /nfs/dbraw/zinc/93/32/68/1125933268.db2.gz LKSPMSYLAZYAEW-INIZCTEOSA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CCNC(=O)C[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001481170297 1125933269 /nfs/dbraw/zinc/93/32/69/1125933269.db2.gz LKSPMSYLAZYAEW-INIZCTEOSA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCCC1 ZINC001482215929 1126106991 /nfs/dbraw/zinc/10/69/91/1126106991.db2.gz YDNKMRGERBBERW-CQSZACIVSA-N 2 1 336.436 -0.915 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCCC1 ZINC001482215929 1126106992 /nfs/dbraw/zinc/10/69/92/1126106992.db2.gz YDNKMRGERBBERW-CQSZACIVSA-N 2 1 336.436 -0.915 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001483136496 1126344647 /nfs/dbraw/zinc/34/46/47/1126344647.db2.gz UUTXYWYLRNJVBB-KFWWJZLASA-N 2 1 330.436 -0.043 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001483136496 1126344649 /nfs/dbraw/zinc/34/46/49/1126344649.db2.gz UUTXYWYLRNJVBB-KFWWJZLASA-N 2 1 330.436 -0.043 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCNC(=O)NC(C)C ZINC001483236510 1126382996 /nfs/dbraw/zinc/38/29/96/1126382996.db2.gz ISWYEDBYTBAOBS-GJZGRUSLSA-N 2 1 337.468 -0.114 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCNC(=O)NC(C)C ZINC001483236510 1126383000 /nfs/dbraw/zinc/38/30/00/1126383000.db2.gz ISWYEDBYTBAOBS-GJZGRUSLSA-N 2 1 337.468 -0.114 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC#C)C1CC1 ZINC001483566744 1126435457 /nfs/dbraw/zinc/43/54/57/1126435457.db2.gz DCMNKJPLEFVFAJ-HOTGVXAUSA-N 2 1 330.432 -0.682 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC#C)C1CC1 ZINC001483566744 1126435458 /nfs/dbraw/zinc/43/54/58/1126435458.db2.gz DCMNKJPLEFVFAJ-HOTGVXAUSA-N 2 1 330.432 -0.682 20 30 EBEDMP C=CCN1CC[C@H]([NH2+]C2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1=O ZINC001483724739 1126464359 /nfs/dbraw/zinc/46/43/59/1126464359.db2.gz RLIGPQWHGUITAY-UONOGXRCSA-N 2 1 336.436 -0.658 20 30 EBEDMP C=CCN1CC[C@H]([NH2+]C2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1=O ZINC001483724739 1126464360 /nfs/dbraw/zinc/46/43/60/1126464360.db2.gz RLIGPQWHGUITAY-UONOGXRCSA-N 2 1 336.436 -0.658 20 30 EBEDMP C[N@@H+]1CC[C@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CC(=O)NCC#N)C3)C1 ZINC001483832369 1126480478 /nfs/dbraw/zinc/48/04/78/1126480478.db2.gz HSIUGRGQYZVFLB-MAUKXSAKSA-N 2 1 347.463 -0.108 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CC(=O)NCC#N)C3)C1 ZINC001483832369 1126480480 /nfs/dbraw/zinc/48/04/80/1126480480.db2.gz HSIUGRGQYZVFLB-MAUKXSAKSA-N 2 1 347.463 -0.108 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@]3(C2)CCC[N@H+](CC(=O)NCC#N)C3)C1 ZINC001483832369 1126480482 /nfs/dbraw/zinc/48/04/82/1126480482.db2.gz HSIUGRGQYZVFLB-MAUKXSAKSA-N 2 1 347.463 -0.108 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC(=O)NCC#N)C3)C1 ZINC001483832369 1126480484 /nfs/dbraw/zinc/48/04/84/1126480484.db2.gz HSIUGRGQYZVFLB-MAUKXSAKSA-N 2 1 347.463 -0.108 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001484686787 1126621844 /nfs/dbraw/zinc/62/18/44/1126621844.db2.gz ZNALEVVWTAGNOS-CQSZACIVSA-N 2 1 335.408 -0.689 20 30 EBEDMP CCC1([NH2+]CC(=O)NCC#N)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001484819300 1126638090 /nfs/dbraw/zinc/63/80/90/1126638090.db2.gz LMWFQEXDUJJEFO-CQSZACIVSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CC(=O)NCC#N)C1 ZINC001485485764 1126731840 /nfs/dbraw/zinc/73/18/40/1126731840.db2.gz SZGLXMJFDRUGSY-LSDHHAIUSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CC(=O)NCC#N)C1 ZINC001485485764 1126731846 /nfs/dbraw/zinc/73/18/46/1126731846.db2.gz SZGLXMJFDRUGSY-LSDHHAIUSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CC(=O)NCC#N)C1 ZINC001485485764 1126731849 /nfs/dbraw/zinc/73/18/49/1126731849.db2.gz SZGLXMJFDRUGSY-LSDHHAIUSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2CC(=O)NCC#N)C1 ZINC001485485764 1126731853 /nfs/dbraw/zinc/73/18/53/1126731853.db2.gz SZGLXMJFDRUGSY-LSDHHAIUSA-N 2 1 335.452 -0.061 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@@]3(C)C2)CC1 ZINC001092300517 1128222520 /nfs/dbraw/zinc/22/25/20/1128222520.db2.gz YPRSMOYOCUAAPX-OGWOLHLISA-N 2 1 346.475 -0.014 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001691742696 1129715257 /nfs/dbraw/zinc/71/52/57/1129715257.db2.gz HAZLPFPVHFMXGQ-YHUYYLMFSA-N 2 1 334.464 -0.050 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001691742694 1129715321 /nfs/dbraw/zinc/71/53/21/1129715321.db2.gz HAZLPFPVHFMXGQ-QXSJWSMHSA-N 2 1 334.464 -0.050 20 30 EBEDMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2C[NH2+]CC(=O)NCC#N)C1 ZINC001491264628 1130378095 /nfs/dbraw/zinc/37/80/95/1130378095.db2.gz UEIIPCNFOBIJDH-HUUCEWRRSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)C[NH+]1CCOCC1 ZINC000267387396 379269781 /nfs/dbraw/zinc/26/97/81/379269781.db2.gz CBTTZPCTGAHGKG-OAHLLOKOSA-N 2 1 347.467 -0.118 20 30 EBEDMP C[C@H]1OCC[C@H]1[N@H+](CC#CC[NH+](CCO)[C@H]1CCO[C@H]1C)CCO ZINC000342175181 380757835 /nfs/dbraw/zinc/75/78/35/380757835.db2.gz UJWVKVJECOLRGC-USTZCAOPSA-N 2 1 340.464 -0.067 20 30 EBEDMP C[C@H]1OCC[C@H]1[NH+](CC#CC[N@H+](CCO)[C@H]1CCO[C@H]1C)CCO ZINC000342175181 380757838 /nfs/dbraw/zinc/75/78/38/380757838.db2.gz UJWVKVJECOLRGC-USTZCAOPSA-N 2 1 340.464 -0.067 20 30 EBEDMP C[C@H]1OCC[C@H]1[NH+](CC#CC[N@@H+](CCO)[C@H]1CCO[C@H]1C)CCO ZINC000342175181 380757841 /nfs/dbraw/zinc/75/78/41/380757841.db2.gz UJWVKVJECOLRGC-USTZCAOPSA-N 2 1 340.464 -0.067 20 30 EBEDMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2C[NH+](C)CCN2C)[N@H+](C)C1 ZINC000328967642 380816463 /nfs/dbraw/zinc/81/64/63/380816463.db2.gz ABULODUEZJDXKX-ZNMIVQPWSA-N 2 1 327.473 -0.203 20 30 EBEDMP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2C[NH+](C)CCN2C)[N@@H+](C)C1 ZINC000328967642 380816469 /nfs/dbraw/zinc/81/64/69/380816469.db2.gz ABULODUEZJDXKX-ZNMIVQPWSA-N 2 1 327.473 -0.203 20 30 EBEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC(C)(C)N1CCOCC1 ZINC000329365409 381596192 /nfs/dbraw/zinc/59/61/92/381596192.db2.gz JYTBYRWAODYOEU-AWEZNQCLSA-N 2 1 327.473 -0.153 20 30 EBEDMP C=C1[C@H](C(=O)NC[C@@H]2CC[NH+](C)C2)[C@H]1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000900306230 582766488 /nfs/dbraw/zinc/76/64/88/582766488.db2.gz PRWPTUPGRIKVTF-VGWMRTNUSA-N 2 1 334.464 -0.076 20 30 EBEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000849074551 584165697 /nfs/dbraw/zinc/16/56/97/584165697.db2.gz WWASNSANUAYSPE-LSDHHAIUSA-N 2 1 325.457 -0.653 20 30 EBEDMP CNC(=O)C(C)(C)CNC(=[NH+]C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261645113 649984568 /nfs/dbraw/zinc/98/45/68/649984568.db2.gz DQAHEBXYRQPQIS-AWEZNQCLSA-N 2 1 339.484 -0.012 20 30 EBEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCN(CCC(=O)N(C)C)CC1 ZINC000261956342 649985487 /nfs/dbraw/zinc/98/54/87/649985487.db2.gz IWJISFAFFZGXDS-HNNXBMFYSA-N 2 1 338.500 -0.391 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C ZINC000936631596 651940497 /nfs/dbraw/zinc/94/04/97/651940497.db2.gz ADHBSOPTEBMSEE-NXOAAHMSSA-N 2 1 344.459 -0.010 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C ZINC000936631596 651940505 /nfs/dbraw/zinc/94/05/05/651940505.db2.gz ADHBSOPTEBMSEE-NXOAAHMSSA-N 2 1 344.459 -0.010 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC000936631596 651940509 /nfs/dbraw/zinc/94/05/09/651940509.db2.gz ADHBSOPTEBMSEE-NXOAAHMSSA-N 2 1 344.459 -0.010 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC000936631596 651940514 /nfs/dbraw/zinc/94/05/14/651940514.db2.gz ADHBSOPTEBMSEE-NXOAAHMSSA-N 2 1 344.459 -0.010 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000937980700 652022288 /nfs/dbraw/zinc/02/22/88/652022288.db2.gz PTHRQRZDDSVCDO-JYJNAYRXSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000937980700 652022295 /nfs/dbraw/zinc/02/22/95/652022295.db2.gz PTHRQRZDDSVCDO-JYJNAYRXSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000937980700 652022303 /nfs/dbraw/zinc/02/23/03/652022303.db2.gz PTHRQRZDDSVCDO-JYJNAYRXSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000937980700 652022313 /nfs/dbraw/zinc/02/23/13/652022313.db2.gz PTHRQRZDDSVCDO-JYJNAYRXSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000950755141 654247724 /nfs/dbraw/zinc/24/77/24/654247724.db2.gz FBELVDGVLNIZQQ-HRCADAONSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000950755141 654247730 /nfs/dbraw/zinc/24/77/30/654247730.db2.gz FBELVDGVLNIZQQ-HRCADAONSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000950755141 654247732 /nfs/dbraw/zinc/24/77/32/654247732.db2.gz FBELVDGVLNIZQQ-HRCADAONSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000950755141 654247737 /nfs/dbraw/zinc/24/77/37/654247737.db2.gz FBELVDGVLNIZQQ-HRCADAONSA-N 2 1 332.448 -0.105 20 30 EBEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000246374630 719409277 /nfs/dbraw/zinc/40/92/77/719409277.db2.gz MDHQPYINBRFHDA-LSDHHAIUSA-N 2 1 337.468 -0.163 20 30 EBEDMP C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000958247536 722333234 /nfs/dbraw/zinc/33/32/34/722333234.db2.gz AKDSKKVYEGBGGQ-XJKSGUPXSA-N 2 1 325.372 -0.077 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001018984773 728763187 /nfs/dbraw/zinc/76/31/87/728763187.db2.gz DODOQSJGAGTLRW-HOTGVXAUSA-N 2 1 332.448 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001018984773 728763189 /nfs/dbraw/zinc/76/31/89/728763189.db2.gz DODOQSJGAGTLRW-HOTGVXAUSA-N 2 1 332.448 -0.103 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001018985379 728763968 /nfs/dbraw/zinc/76/39/68/728763968.db2.gz PFVFJOPUKORXQB-HOTGVXAUSA-N 2 1 332.448 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001018985379 728763971 /nfs/dbraw/zinc/76/39/71/728763971.db2.gz PFVFJOPUKORXQB-HOTGVXAUSA-N 2 1 332.448 -0.103 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]32)CC1 ZINC000962783734 723323716 /nfs/dbraw/zinc/32/37/16/723323716.db2.gz XRFFNSYCUSKMPO-FVQHAEBGSA-N 2 1 342.447 -0.293 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]32)CC1 ZINC000962783734 723323718 /nfs/dbraw/zinc/32/37/18/723323718.db2.gz XRFFNSYCUSKMPO-FVQHAEBGSA-N 2 1 342.447 -0.293 20 30 EBEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C1CN(CCn2cncn2)C1 ZINC000969865500 725223831 /nfs/dbraw/zinc/22/38/31/725223831.db2.gz PLTABGUCGJKROA-HOCLYGCPSA-N 2 1 330.436 -0.188 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](CC(=O)N(C)C)C2)CC1 ZINC000970924893 725342493 /nfs/dbraw/zinc/34/24/93/725342493.db2.gz MUFHCHZKJPKDAL-CQSZACIVSA-N 2 1 334.464 -0.144 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001051659795 735299621 /nfs/dbraw/zinc/29/96/21/735299621.db2.gz CKNRIZPLTNJHNC-SJORKVTESA-N 2 1 345.447 -0.165 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001051659795 735299623 /nfs/dbraw/zinc/29/96/23/735299623.db2.gz CKNRIZPLTNJHNC-SJORKVTESA-N 2 1 345.447 -0.165 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000973297044 725701103 /nfs/dbraw/zinc/70/11/03/725701103.db2.gz ZBSPKDOUHVHZNN-FPCVCCKLSA-N 2 1 332.448 -0.201 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000973297044 725701105 /nfs/dbraw/zinc/70/11/05/725701105.db2.gz ZBSPKDOUHVHZNN-FPCVCCKLSA-N 2 1 332.448 -0.201 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000973297044 725701109 /nfs/dbraw/zinc/70/11/09/725701109.db2.gz ZBSPKDOUHVHZNN-FPCVCCKLSA-N 2 1 332.448 -0.201 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000973297044 725701112 /nfs/dbraw/zinc/70/11/12/725701112.db2.gz ZBSPKDOUHVHZNN-FPCVCCKLSA-N 2 1 332.448 -0.201 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000994772118 726076363 /nfs/dbraw/zinc/07/63/63/726076363.db2.gz XEBWVSSYOMFBJN-JKSUJKDBSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000994772118 726076366 /nfs/dbraw/zinc/07/63/66/726076366.db2.gz XEBWVSSYOMFBJN-JKSUJKDBSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000994772118 726076369 /nfs/dbraw/zinc/07/63/69/726076369.db2.gz XEBWVSSYOMFBJN-JKSUJKDBSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000994772118 726076373 /nfs/dbraw/zinc/07/63/73/726076373.db2.gz XEBWVSSYOMFBJN-JKSUJKDBSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000976550477 726345750 /nfs/dbraw/zinc/34/57/50/726345750.db2.gz YMZOMIQHIOEOBR-UIBIWLFHSA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000976550477 726345753 /nfs/dbraw/zinc/34/57/53/726345753.db2.gz YMZOMIQHIOEOBR-UIBIWLFHSA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000035122 726552152 /nfs/dbraw/zinc/55/21/52/726552152.db2.gz MGFRRJOBGKLRJL-OAHLLOKOSA-N 2 1 328.420 -0.130 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C2)CC1 ZINC001016336023 728458209 /nfs/dbraw/zinc/45/82/09/728458209.db2.gz HHRFBQKKLNQXQI-MRXNPFEDSA-N 2 1 330.436 -0.186 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)CC1 ZINC001016336949 728458595 /nfs/dbraw/zinc/45/85/95/728458595.db2.gz OXTIRLZJNGVGFK-HOCLYGCPSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)CC1 ZINC001016336949 728458598 /nfs/dbraw/zinc/45/85/98/728458598.db2.gz OXTIRLZJNGVGFK-HOCLYGCPSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCCNC3=O)C2)CC1 ZINC001016338247 728458865 /nfs/dbraw/zinc/45/88/65/728458865.db2.gz XSKUXFIHGRHXRX-HOTGVXAUSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)CC1 ZINC001016338247 728458866 /nfs/dbraw/zinc/45/88/66/728458866.db2.gz XSKUXFIHGRHXRX-HOTGVXAUSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC001020250411 729114643 /nfs/dbraw/zinc/11/46/43/729114643.db2.gz FPMFHPDIWQFEJA-FPCVCCKLSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC001020250411 729114644 /nfs/dbraw/zinc/11/46/44/729114644.db2.gz FPMFHPDIWQFEJA-FPCVCCKLSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001028602091 730320662 /nfs/dbraw/zinc/32/06/62/730320662.db2.gz WWTCFOLNCKZIBN-HOTGVXAUSA-N 2 1 347.463 -0.453 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001028602091 730320664 /nfs/dbraw/zinc/32/06/64/730320664.db2.gz WWTCFOLNCKZIBN-HOTGVXAUSA-N 2 1 347.463 -0.453 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCN2CCNC2=O)C1 ZINC001028602091 730320667 /nfs/dbraw/zinc/32/06/67/730320667.db2.gz WWTCFOLNCKZIBN-HOTGVXAUSA-N 2 1 347.463 -0.453 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCN2CCNC2=O)C1 ZINC001028602091 730320669 /nfs/dbraw/zinc/32/06/69/730320669.db2.gz WWTCFOLNCKZIBN-HOTGVXAUSA-N 2 1 347.463 -0.453 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001029003594 730382867 /nfs/dbraw/zinc/38/28/67/730382867.db2.gz NXXLHVWSNXLZQA-ZBFHGGJFSA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCN2CCNC2=O)CC1 ZINC001039041549 731409480 /nfs/dbraw/zinc/40/94/80/731409480.db2.gz FFWWOOOIURXROC-INIZCTEOSA-N 2 1 347.463 -0.453 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCN2CCNC2=O)CC1 ZINC001039041549 731409482 /nfs/dbraw/zinc/40/94/82/731409482.db2.gz FFWWOOOIURXROC-INIZCTEOSA-N 2 1 347.463 -0.453 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCn2cncn2)CC1 ZINC001039042528 731409810 /nfs/dbraw/zinc/40/98/10/731409810.db2.gz SIZDGEAYDFDEKA-MRXNPFEDSA-N 2 1 330.436 -0.186 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CCn2cncn2)CC1 ZINC001039042528 731409811 /nfs/dbraw/zinc/40/98/11/731409811.db2.gz SIZDGEAYDFDEKA-MRXNPFEDSA-N 2 1 330.436 -0.186 20 30 EBEDMP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC001046072158 733846092 /nfs/dbraw/zinc/84/60/92/733846092.db2.gz UBVIEKFYCFWPGM-GOSISDBHSA-N 2 1 348.491 -0.050 20 30 EBEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC001046072158 733846094 /nfs/dbraw/zinc/84/60/94/733846094.db2.gz UBVIEKFYCFWPGM-GOSISDBHSA-N 2 1 348.491 -0.050 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001048869953 734547638 /nfs/dbraw/zinc/54/76/38/734547638.db2.gz IXQBKPNQKGZVAE-VVLHAWIVSA-N 2 1 344.459 -0.295 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001048869953 734547640 /nfs/dbraw/zinc/54/76/40/734547640.db2.gz IXQBKPNQKGZVAE-VVLHAWIVSA-N 2 1 344.459 -0.295 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001048869953 734547642 /nfs/dbraw/zinc/54/76/42/734547642.db2.gz IXQBKPNQKGZVAE-VVLHAWIVSA-N 2 1 344.459 -0.295 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001048869953 734547644 /nfs/dbraw/zinc/54/76/44/734547644.db2.gz IXQBKPNQKGZVAE-VVLHAWIVSA-N 2 1 344.459 -0.295 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)C(=O)NC)C[C@@H]3C2)CC1 ZINC001049235782 734695224 /nfs/dbraw/zinc/69/52/24/734695224.db2.gz VYRXJIFKJPKFEW-OIISXLGYSA-N 2 1 346.475 -0.144 20 30 EBEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C2)CC1 ZINC001052103294 735547818 /nfs/dbraw/zinc/54/78/18/735547818.db2.gz OOCJDOAWYYPHJP-KRWDZBQOSA-N 2 1 348.491 -0.051 20 30 EBEDMP C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001055629681 736414662 /nfs/dbraw/zinc/41/46/62/736414662.db2.gz HKLRTKZUTINCJH-HIFRSBDPSA-N 2 1 335.452 -0.063 20 30 EBEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001070329714 740788434 /nfs/dbraw/zinc/78/84/34/740788434.db2.gz DKWQAYLSADVVMR-OWCLPIDISA-N 2 1 348.451 -0.084 20 30 EBEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001070329714 740788437 /nfs/dbraw/zinc/78/84/37/740788437.db2.gz DKWQAYLSADVVMR-OWCLPIDISA-N 2 1 348.451 -0.084 20 30 EBEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001077015158 742696332 /nfs/dbraw/zinc/69/63/32/742696332.db2.gz DQRHIWIWNHDDOT-TVFCKZIOSA-N 2 1 349.475 -0.082 20 30 EBEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001077015158 742696335 /nfs/dbraw/zinc/69/63/35/742696335.db2.gz DQRHIWIWNHDDOT-TVFCKZIOSA-N 2 1 349.475 -0.082 20 30 EBEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077417916 742964947 /nfs/dbraw/zinc/96/49/47/742964947.db2.gz DLUQLUJOVRNHBY-YLADIXGZSA-N 2 1 335.448 -0.023 20 30 EBEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001077417916 742964952 /nfs/dbraw/zinc/96/49/52/742964952.db2.gz DLUQLUJOVRNHBY-YLADIXGZSA-N 2 1 335.448 -0.023 20 30 EBEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001077417916 742964959 /nfs/dbraw/zinc/96/49/59/742964959.db2.gz DLUQLUJOVRNHBY-YLADIXGZSA-N 2 1 335.448 -0.023 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)CC1 ZINC000979084290 805127038 /nfs/dbraw/zinc/12/70/38/805127038.db2.gz DMWLIQZFOMOHJZ-QCEMKRCNSA-N 2 1 332.448 -0.501 20 30 EBEDMP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214855735 810286703 /nfs/dbraw/zinc/28/67/03/810286703.db2.gz MHRYERTUDQMOLC-MGPQQGTHSA-N 2 1 344.419 -0.163 20 30 EBEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001216854046 810396389 /nfs/dbraw/zinc/39/63/89/810396389.db2.gz RMQFTNVKLMIMKO-RBSFLKMASA-N 2 1 335.452 -0.063 20 30 EBEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034100 810956338 /nfs/dbraw/zinc/95/63/38/810956338.db2.gz NTPBLUYKKGZTBB-OWQJAQGESA-N 2 1 335.448 -0.023 20 30 EBEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034100 810956343 /nfs/dbraw/zinc/95/63/43/810956343.db2.gz NTPBLUYKKGZTBB-OWQJAQGESA-N 2 1 335.448 -0.023 20 30 EBEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034100 810956349 /nfs/dbraw/zinc/95/63/49/810956349.db2.gz NTPBLUYKKGZTBB-OWQJAQGESA-N 2 1 335.448 -0.023 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001221921706 811563175 /nfs/dbraw/zinc/56/31/75/811563175.db2.gz GAKXDFIBWWAXPI-ARFHVFGLSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001221921706 811563180 /nfs/dbraw/zinc/56/31/80/811563180.db2.gz GAKXDFIBWWAXPI-ARFHVFGLSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221921706 811563183 /nfs/dbraw/zinc/56/31/83/811563183.db2.gz GAKXDFIBWWAXPI-ARFHVFGLSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221921706 811563190 /nfs/dbraw/zinc/56/31/90/811563190.db2.gz GAKXDFIBWWAXPI-ARFHVFGLSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCOCCO)C[C@H]32)CC1 ZINC001222044194 811586305 /nfs/dbraw/zinc/58/63/05/811586305.db2.gz RSTRKRBEOLPURR-QZTJIDSGSA-N 2 1 349.475 -0.127 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001222893399 811666071 /nfs/dbraw/zinc/66/60/71/811666071.db2.gz YTIPATGILJVTAY-HFTRVMKXSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001222893399 811666077 /nfs/dbraw/zinc/66/60/77/811666077.db2.gz YTIPATGILJVTAY-HFTRVMKXSA-N 2 1 346.475 -0.001 20 30 EBEDMP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC#N)[C@H]2C1 ZINC001223978355 811738561 /nfs/dbraw/zinc/73/85/61/811738561.db2.gz XRCSRCJPRBGKHQ-CABCVRRESA-N 2 1 335.452 -0.109 20 30 EBEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC#N)[C@H]2C1 ZINC001223978355 811738568 /nfs/dbraw/zinc/73/85/68/811738568.db2.gz XRCSRCJPRBGKHQ-CABCVRRESA-N 2 1 335.452 -0.109 20 30 EBEDMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001223978355 811738577 /nfs/dbraw/zinc/73/85/77/811738577.db2.gz XRCSRCJPRBGKHQ-CABCVRRESA-N 2 1 335.452 -0.109 20 30 EBEDMP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001223978355 811738586 /nfs/dbraw/zinc/73/85/86/811738586.db2.gz XRCSRCJPRBGKHQ-CABCVRRESA-N 2 1 335.452 -0.109 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230034759 812070943 /nfs/dbraw/zinc/07/09/43/812070943.db2.gz NMBGFQOGNORZMW-AWEZNQCLSA-N 2 1 338.452 -0.717 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CC(=O)NC(N)=O)CC2)CC1 ZINC001230345109 812105458 /nfs/dbraw/zinc/10/54/58/812105458.db2.gz YDGJAARVWAYKHF-UHFFFAOYSA-N 2 1 349.435 -0.893 20 30 EBEDMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+](CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001267300208 813834738 /nfs/dbraw/zinc/83/47/38/813834738.db2.gz LUJSACWKMYEKQJ-ZNMIVQPWSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+](CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001267300208 813834750 /nfs/dbraw/zinc/83/47/50/813834750.db2.gz LUJSACWKMYEKQJ-ZNMIVQPWSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[N@H+](CC(=O)NCC#N)C2)CC[NH+]1C ZINC001267300208 813834759 /nfs/dbraw/zinc/83/47/59/813834759.db2.gz LUJSACWKMYEKQJ-ZNMIVQPWSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)CC[NH+]1C ZINC001267300208 813834772 /nfs/dbraw/zinc/83/47/72/813834772.db2.gz LUJSACWKMYEKQJ-ZNMIVQPWSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001267557283 813930477 /nfs/dbraw/zinc/93/04/77/813930477.db2.gz BJZCXAMNYRBIDK-LSDHHAIUSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[NH+]1CCCC[C@@H]1C(=O)NCC[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267557283 813930480 /nfs/dbraw/zinc/93/04/80/813930480.db2.gz BJZCXAMNYRBIDK-LSDHHAIUSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[NH+]1CCCC[C@@H]1C(=O)NCC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267557283 813930484 /nfs/dbraw/zinc/93/04/84/813930484.db2.gz BJZCXAMNYRBIDK-LSDHHAIUSA-N 2 1 335.452 -0.061 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001267922826 814069975 /nfs/dbraw/zinc/06/99/75/814069975.db2.gz HQFNGVHGUPHZGX-RBSFLKMASA-N 2 1 338.452 -0.364 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001267922826 814069980 /nfs/dbraw/zinc/06/99/80/814069980.db2.gz HQFNGVHGUPHZGX-RBSFLKMASA-N 2 1 338.452 -0.364 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C2CC2)CC[N@H+]1C ZINC001269071409 814516146 /nfs/dbraw/zinc/51/61/46/814516146.db2.gz IUOIXPWJJSKELC-SOUVJXGZSA-N 2 1 335.452 -0.159 20 30 EBEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001269442236 814694196 /nfs/dbraw/zinc/69/41/96/814694196.db2.gz CIAWEIJZVNNJEV-AWEZNQCLSA-N 2 1 335.452 -0.015 20 30 EBEDMP C[N@H+]1CC[C@@H](CC(=O)N[C@@](C)(C[NH2+]CC(=O)NCC#N)C2CC2)C1 ZINC001269644444 814754722 /nfs/dbraw/zinc/75/47/22/814754722.db2.gz FUZVERWYEALIMZ-GUYCJALGSA-N 2 1 335.452 -0.158 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCN1CCNC1=O ZINC001270427299 815775298 /nfs/dbraw/zinc/77/52/98/815775298.db2.gz LSJMRRRTOQAGMK-CABCVRRESA-N 2 1 335.452 -0.549 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCN1CCNC1=O ZINC001270427299 815775300 /nfs/dbraw/zinc/77/53/00/815775300.db2.gz LSJMRRRTOQAGMK-CABCVRRESA-N 2 1 335.452 -0.549 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)NCC1([NH2+]CC(=O)NCC#N)CCCC1 ZINC001270818949 815904128 /nfs/dbraw/zinc/90/41/28/815904128.db2.gz GUGYVFGDVCGTEB-UHFFFAOYSA-N 2 1 332.408 -0.150 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001271217142 816039317 /nfs/dbraw/zinc/03/93/17/816039317.db2.gz SMHQFJYSBACFEB-KBPBESRZSA-N 2 1 326.441 -0.554 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001271217142 816039323 /nfs/dbraw/zinc/03/93/23/816039323.db2.gz SMHQFJYSBACFEB-KBPBESRZSA-N 2 1 326.441 -0.554 20 30 EBEDMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[NH+](CC(=O)NCC#N)C[C@@H]3C2)C1 ZINC001271880238 816243156 /nfs/dbraw/zinc/24/31/56/816243156.db2.gz KOCUBQVASZDABQ-KFWWJZLASA-N 2 1 333.436 -0.642 20 30 EBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1c1cnn(C)c1 ZINC001087010232 816444868 /nfs/dbraw/zinc/44/48/68/816444868.db2.gz RJSFQNIPEWAPOL-BBWFWOEESA-N 2 1 345.447 -0.342 20 30 EBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cnn(C)c1 ZINC001087010232 816444875 /nfs/dbraw/zinc/44/48/75/816444875.db2.gz RJSFQNIPEWAPOL-BBWFWOEESA-N 2 1 345.447 -0.342 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001273176334 816600416 /nfs/dbraw/zinc/60/04/16/816600416.db2.gz SPBPOEJOOXWJRZ-STQMWFEESA-N 2 1 339.440 -0.566 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)C(N)=O)CC[C@@H]3C2)CC1 ZINC001088211951 816649455 /nfs/dbraw/zinc/64/94/55/816649455.db2.gz HVGVYDNZRRLNFH-UAGQMJEPSA-N 2 1 346.475 -0.014 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001273365325 816654889 /nfs/dbraw/zinc/65/48/89/816654889.db2.gz FVVRKTVKFMOAMX-CABCVRRESA-N 2 1 340.468 -0.166 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001273575346 816699784 /nfs/dbraw/zinc/69/97/84/816699784.db2.gz DCQIMYRXIGQGHZ-OAHLLOKOSA-N 2 1 345.447 -0.059 20 30 EBEDMP C=CCN1CC[C@H]([NH2+]C[C@H](C)NC(=O)CC[NH+]2CCOCC2)C1=O ZINC001275369195 817203608 /nfs/dbraw/zinc/20/36/08/817203608.db2.gz SWVFMJFOSKUBQF-GJZGRUSLSA-N 2 1 338.452 -0.410 20 30 EBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](O)C1 ZINC001090635938 817601697 /nfs/dbraw/zinc/60/16/97/817601697.db2.gz AEHVUGRAVIOECC-JKSUJKDBSA-N 2 1 333.436 -0.367 20 30 EBEDMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]CC(=O)NCC#N)C(C)(C)C2)C1 ZINC001278684889 817793948 /nfs/dbraw/zinc/79/39/48/817793948.db2.gz NOSDGTIOOMCCEA-UONOGXRCSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001279104489 817907058 /nfs/dbraw/zinc/90/70/58/817907058.db2.gz HBFPPJOVPIMAKM-CQSZACIVSA-N 2 1 347.463 -0.061 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001279372774 817922216 /nfs/dbraw/zinc/92/22/16/817922216.db2.gz ZYCZSVDZQZCOEN-NCOADZHNSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC001279372774 817922222 /nfs/dbraw/zinc/92/22/22/817922222.db2.gz ZYCZSVDZQZCOEN-NCOADZHNSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001279372774 817922226 /nfs/dbraw/zinc/92/22/26/817922226.db2.gz ZYCZSVDZQZCOEN-NCOADZHNSA-N 2 1 346.475 -0.001 20 30 EBEDMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001283528214 818840824 /nfs/dbraw/zinc/84/08/24/818840824.db2.gz BGRDKYYWPPSPFS-LSDHHAIUSA-N 2 1 335.452 -0.063 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001283765694 818938400 /nfs/dbraw/zinc/93/84/00/818938400.db2.gz VQPSGOGRSRRPJQ-CVEARBPZSA-N 2 1 346.431 -0.950 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001283765694 818938405 /nfs/dbraw/zinc/93/84/05/818938405.db2.gz VQPSGOGRSRRPJQ-CVEARBPZSA-N 2 1 346.431 -0.950 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\CNC(=O)C[NH+]1CCCC1 ZINC001285558200 819662222 /nfs/dbraw/zinc/66/22/22/819662222.db2.gz PBVVFIKOEILCBJ-QGZUEGPWSA-N 2 1 332.448 -0.032 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\CNC(=O)C[NH+]1CCCC1 ZINC001285558200 819662227 /nfs/dbraw/zinc/66/22/27/819662227.db2.gz PBVVFIKOEILCBJ-QGZUEGPWSA-N 2 1 332.448 -0.032 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCOC)C[C@H]2O)CC1 ZINC001100121625 820251502 /nfs/dbraw/zinc/25/15/02/820251502.db2.gz DOELDXBAQFDHFH-IAGOWNOFSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001100511946 820451606 /nfs/dbraw/zinc/45/16/06/820451606.db2.gz YFLACEWBBROYLQ-NFOMZHRRSA-N 2 1 331.420 -0.186 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001100989007 820635569 /nfs/dbraw/zinc/63/55/69/820635569.db2.gz CUDLUWJJMJSJEA-LRVUVFPRSA-N 2 1 331.420 -0.186 20 30 EBEDMP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001101431592 820789160 /nfs/dbraw/zinc/78/91/60/820789160.db2.gz VMNXJRVVCDYVLD-PBHICJAKSA-N 2 1 345.447 -0.498 20 30 EBEDMP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001101431592 820789163 /nfs/dbraw/zinc/78/91/63/820789163.db2.gz VMNXJRVVCDYVLD-PBHICJAKSA-N 2 1 345.447 -0.498 20 30 EBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001101976157 820979339 /nfs/dbraw/zinc/97/93/39/820979339.db2.gz LVDNAFNSAIXHRH-FVQBIDKESA-N 2 1 347.463 -0.348 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102050160 821012553 /nfs/dbraw/zinc/01/25/53/821012553.db2.gz YMLPPFWUWYVVBH-HUUCEWRRSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001102050160 821012559 /nfs/dbraw/zinc/01/25/59/821012559.db2.gz YMLPPFWUWYVVBH-HUUCEWRRSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001102050160 821012573 /nfs/dbraw/zinc/01/25/73/821012573.db2.gz YMLPPFWUWYVVBH-HUUCEWRRSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CCn2ccnc2)[C@H](C)C1 ZINC001102205278 821046661 /nfs/dbraw/zinc/04/66/61/821046661.db2.gz UKGJAAMFVLGBTO-HUUCEWRRSA-N 2 1 331.420 -0.293 20 30 EBEDMP C#CCNC(=O)CN1C[C@@H](CNC(=O)CCn2ccnc2)[C@H](C)C1 ZINC001102205278 821046665 /nfs/dbraw/zinc/04/66/65/821046665.db2.gz UKGJAAMFVLGBTO-HUUCEWRRSA-N 2 1 331.420 -0.293 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(=O)NCC)C1 ZINC001317114620 822007302 /nfs/dbraw/zinc/00/73/02/822007302.db2.gz ZTYVEFOCGSPEBA-MJBXVCDLSA-N 2 1 349.435 -0.834 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(=O)NCC)C1 ZINC001317114620 822007316 /nfs/dbraw/zinc/00/73/16/822007316.db2.gz ZTYVEFOCGSPEBA-MJBXVCDLSA-N 2 1 349.435 -0.834 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](O)COC)C1 ZINC001317132934 822014244 /nfs/dbraw/zinc/01/42/44/822014244.db2.gz UYZZSIVSYWXZSY-BBWFWOEESA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)COC)C1 ZINC001317132934 822014253 /nfs/dbraw/zinc/01/42/53/822014253.db2.gz UYZZSIVSYWXZSY-BBWFWOEESA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](C[C@@H](O)COC)C1 ZINC001317132934 822014262 /nfs/dbraw/zinc/01/42/62/822014262.db2.gz UYZZSIVSYWXZSY-BBWFWOEESA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](C[C@@H](O)COC)C1 ZINC001317132934 822014272 /nfs/dbraw/zinc/01/42/72/822014272.db2.gz UYZZSIVSYWXZSY-BBWFWOEESA-N 2 1 337.464 -0.081 20 30 EBEDMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)NCC#N)C2 ZINC001317407089 822101921 /nfs/dbraw/zinc/10/19/21/822101921.db2.gz VTSJEORQYUNPAS-GXTWGEPZSA-N 2 1 346.435 -0.122 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]C[C@H](O)COC)[C@H](C)C1 ZINC001106266546 822238605 /nfs/dbraw/zinc/23/86/05/822238605.db2.gz PTYIDOYSGXLLSX-NCOADZHNSA-N 2 1 337.464 -0.225 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]C[C@H](O)COC)[C@H](C)C1 ZINC001106266546 822238614 /nfs/dbraw/zinc/23/86/14/822238614.db2.gz PTYIDOYSGXLLSX-NCOADZHNSA-N 2 1 337.464 -0.225 20 30 EBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129052820 828564881 /nfs/dbraw/zinc/56/48/81/828564881.db2.gz ONQILLYXCCHUII-PMPSAXMXSA-N 2 1 330.436 -0.017 20 30 EBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129052820 828564883 /nfs/dbraw/zinc/56/48/83/828564883.db2.gz ONQILLYXCCHUII-PMPSAXMXSA-N 2 1 330.436 -0.017 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NCC#N)CC3)C1 ZINC001107631795 823893627 /nfs/dbraw/zinc/89/36/27/823893627.db2.gz FUIJLRASVFVZEW-HDMKZQKVSA-N 2 1 347.463 -0.061 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)C1 ZINC001107631795 823893631 /nfs/dbraw/zinc/89/36/31/823893631.db2.gz FUIJLRASVFVZEW-HDMKZQKVSA-N 2 1 347.463 -0.061 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NCC#N)CC3)C1 ZINC001107631795 823893635 /nfs/dbraw/zinc/89/36/35/823893635.db2.gz FUIJLRASVFVZEW-HDMKZQKVSA-N 2 1 347.463 -0.061 20 30 EBEDMP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC2=O)C1 ZINC001108553814 824366728 /nfs/dbraw/zinc/36/67/28/824366728.db2.gz WVJSISGHIFGJJA-YOEHRIQHSA-N 2 1 334.464 -0.003 20 30 EBEDMP C#CCC[NH+]1CC(N2C[C@H](NC(=O)C3(C[NH+](C)C)CC3)CC2=O)C1 ZINC001108566836 824377313 /nfs/dbraw/zinc/37/73/13/824377313.db2.gz OSPYYPSDGPVJJX-CQSZACIVSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C)C2 ZINC001108821956 824441997 /nfs/dbraw/zinc/44/19/97/824441997.db2.gz UQFHOKTXCWZZNP-XHSDSOJGSA-N 2 1 343.431 -0.090 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001129770891 828667314 /nfs/dbraw/zinc/66/73/14/828667314.db2.gz MVERFBZTPSDVPI-CVEARBPZSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001129770891 828667315 /nfs/dbraw/zinc/66/73/15/828667315.db2.gz MVERFBZTPSDVPI-CVEARBPZSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCS(=O)(=O)CC ZINC001129771498 828667323 /nfs/dbraw/zinc/66/73/23/828667323.db2.gz ZBWUHGJUDAFPRP-AWEZNQCLSA-N 2 1 329.466 -0.385 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCS(=O)(=O)CC ZINC001129771498 828667324 /nfs/dbraw/zinc/66/73/24/828667324.db2.gz ZBWUHGJUDAFPRP-AWEZNQCLSA-N 2 1 329.466 -0.385 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001129791117 828670372 /nfs/dbraw/zinc/67/03/72/828670372.db2.gz STCTTXKPBNZNIG-KBPBESRZSA-N 2 1 329.466 -0.530 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001129791117 828670377 /nfs/dbraw/zinc/67/03/77/828670377.db2.gz STCTTXKPBNZNIG-KBPBESRZSA-N 2 1 329.466 -0.530 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001129791145 828670601 /nfs/dbraw/zinc/67/06/01/828670601.db2.gz UXKBLRFGBXFTCB-LBPRGKRZSA-N 2 1 348.369 -0.190 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001129791145 828670607 /nfs/dbraw/zinc/67/06/07/828670607.db2.gz UXKBLRFGBXFTCB-LBPRGKRZSA-N 2 1 348.369 -0.190 20 30 EBEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086174 828729568 /nfs/dbraw/zinc/72/95/68/828729568.db2.gz OKWAUQHKWCPARR-XHSDSOJGSA-N 2 1 330.436 -0.015 20 30 EBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086239 828730061 /nfs/dbraw/zinc/73/00/61/828730061.db2.gz RAUVJZLBZWELHW-XHSDSOJGSA-N 2 1 330.436 -0.015 20 30 EBEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001130132708 828738193 /nfs/dbraw/zinc/73/81/93/828738193.db2.gz LPWQHESXDMINBM-OWCLPIDISA-N 2 1 348.451 -0.084 20 30 EBEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001130132708 828738196 /nfs/dbraw/zinc/73/81/96/828738196.db2.gz LPWQHESXDMINBM-OWCLPIDISA-N 2 1 348.451 -0.084 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130305814 828778471 /nfs/dbraw/zinc/77/84/71/828778471.db2.gz LUQSBPGIUJMEHM-QWHCGFSZSA-N 2 1 339.440 -0.423 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130305815 828778621 /nfs/dbraw/zinc/77/86/21/828778621.db2.gz LUQSBPGIUJMEHM-STQMWFEESA-N 2 1 339.440 -0.423 20 30 EBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001114291254 826196316 /nfs/dbraw/zinc/19/63/16/826196316.db2.gz UUSVAGMKCHEELM-LJIGWXMPSA-N 2 1 332.448 -0.323 20 30 EBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001114291254 826196319 /nfs/dbraw/zinc/19/63/19/826196319.db2.gz UUSVAGMKCHEELM-LJIGWXMPSA-N 2 1 332.448 -0.323 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001114607339 826296548 /nfs/dbraw/zinc/29/65/48/826296548.db2.gz OGXAAHIWOCJMMD-MXSMSXNCSA-N 2 1 344.459 -0.343 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001114607339 826296549 /nfs/dbraw/zinc/29/65/49/826296549.db2.gz OGXAAHIWOCJMMD-MXSMSXNCSA-N 2 1 344.459 -0.343 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CC(C)(C)C ZINC001114841079 826353167 /nfs/dbraw/zinc/35/31/67/826353167.db2.gz RDZMKJGRBABBJX-HALDLXJZSA-N 2 1 334.464 -0.240 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001114841079 826353149 /nfs/dbraw/zinc/35/31/49/826353149.db2.gz RDZMKJGRBABBJX-HALDLXJZSA-N 2 1 334.464 -0.240 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CC(C)(C)C ZINC001114841079 826353154 /nfs/dbraw/zinc/35/31/54/826353154.db2.gz RDZMKJGRBABBJX-HALDLXJZSA-N 2 1 334.464 -0.240 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CC(C)(C)C ZINC001114841079 826353161 /nfs/dbraw/zinc/35/31/61/826353161.db2.gz RDZMKJGRBABBJX-HALDLXJZSA-N 2 1 334.464 -0.240 20 30 EBEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115123138 826427491 /nfs/dbraw/zinc/42/74/91/826427491.db2.gz KNPIKJIAVWGYMI-BYNSBNAKSA-N 2 1 332.448 -0.181 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124867048 827969414 /nfs/dbraw/zinc/96/94/14/827969414.db2.gz QSARTVJVSWTRQP-VXGBXAGGSA-N 2 1 325.413 -0.813 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001183249873 833284797 /nfs/dbraw/zinc/28/47/97/833284797.db2.gz VOYWMHKGKJKXHF-HUUCEWRRSA-N 2 1 348.451 -0.694 20 30 EBEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001184434373 833330104 /nfs/dbraw/zinc/33/01/04/833330104.db2.gz WUDKCDZLYKCDHL-NDUQDZPOSA-N 2 1 333.432 -0.310 20 30 EBEDMP C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[NH+](C)C)n[nH]2)O1 ZINC001130802361 828942602 /nfs/dbraw/zinc/94/26/02/828942602.db2.gz PZYSSULOWLULCC-QWHCGFSZSA-N 2 1 334.424 -0.185 20 30 EBEDMP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001131393216 829129871 /nfs/dbraw/zinc/12/98/71/829129871.db2.gz POUBHLHSYUUUJA-UHFFFAOYSA-N 2 1 338.452 -0.762 20 30 EBEDMP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001131393216 829129873 /nfs/dbraw/zinc/12/98/73/829129873.db2.gz POUBHLHSYUUUJA-UHFFFAOYSA-N 2 1 338.452 -0.762 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001185669507 833366576 /nfs/dbraw/zinc/36/65/76/833366576.db2.gz RRNUOSGYFVYNTL-LSDHHAIUSA-N 2 1 343.431 -0.306 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001132978511 829566331 /nfs/dbraw/zinc/56/63/31/829566331.db2.gz UEVZPEAJQGCPLS-UKRRQHHQSA-N 2 1 346.435 -0.095 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001211175923 837404523 /nfs/dbraw/zinc/40/45/23/837404523.db2.gz DSYRYYLDUVJUDY-LSDHHAIUSA-N 2 1 338.452 -0.410 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001211175923 837404527 /nfs/dbraw/zinc/40/45/27/837404527.db2.gz DSYRYYLDUVJUDY-LSDHHAIUSA-N 2 1 338.452 -0.410 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001147567450 830363745 /nfs/dbraw/zinc/36/37/45/830363745.db2.gz ZMQLRINMTJPZKX-HNNXBMFYSA-N 2 1 345.447 -0.498 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001147567450 830363753 /nfs/dbraw/zinc/36/37/53/830363753.db2.gz ZMQLRINMTJPZKX-HNNXBMFYSA-N 2 1 345.447 -0.498 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001147748288 830405376 /nfs/dbraw/zinc/40/53/76/830405376.db2.gz LNCPDNUOLLXZLN-INIZCTEOSA-N 2 1 334.464 -0.144 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001147748288 830405377 /nfs/dbraw/zinc/40/53/77/830405377.db2.gz LNCPDNUOLLXZLN-INIZCTEOSA-N 2 1 334.464 -0.144 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001148611961 830517764 /nfs/dbraw/zinc/51/77/64/830517764.db2.gz UGHBQPSEJYVNEZ-UHFFFAOYSA-N 2 1 330.432 -0.634 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001148611961 830517770 /nfs/dbraw/zinc/51/77/70/830517770.db2.gz UGHBQPSEJYVNEZ-UHFFFAOYSA-N 2 1 330.432 -0.634 20 30 EBEDMP CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156144174 831456933 /nfs/dbraw/zinc/45/69/33/831456933.db2.gz AWEIULWIAYWTFR-CQSZACIVSA-N 2 1 339.440 -0.825 20 30 EBEDMP CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156144174 831456937 /nfs/dbraw/zinc/45/69/37/831456937.db2.gz AWEIULWIAYWTFR-CQSZACIVSA-N 2 1 339.440 -0.825 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001159883211 831791862 /nfs/dbraw/zinc/79/18/62/831791862.db2.gz PZNGTHHDKSPALL-GJZGRUSLSA-N 2 1 348.451 -0.953 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001161551980 831971371 /nfs/dbraw/zinc/97/13/71/831971371.db2.gz NNHZLLVDUHZSPN-LBPRGKRZSA-N 2 1 335.408 -0.416 20 30 EBEDMP C[N@@H+]1CC[C@@H](C(=O)NCCC2=CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001161856790 831997186 /nfs/dbraw/zinc/99/71/86/831997186.db2.gz GAXGRRGSBUTWID-OAHLLOKOSA-N 2 1 333.436 -0.284 20 30 EBEDMP C[N@H+]1CC[C@@H](C(=O)NCCC2=CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001161856790 831997192 /nfs/dbraw/zinc/99/71/92/831997192.db2.gz GAXGRRGSBUTWID-OAHLLOKOSA-N 2 1 333.436 -0.284 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)NCCC2=CC[N@H+](CC(=O)NCC#N)CC2)C1 ZINC001161856790 831997195 /nfs/dbraw/zinc/99/71/95/831997195.db2.gz GAXGRRGSBUTWID-OAHLLOKOSA-N 2 1 333.436 -0.284 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)NCCC2=CC[N@@H+](CC(=O)NCC#N)CC2)C1 ZINC001161856790 831997200 /nfs/dbraw/zinc/99/72/00/831997200.db2.gz GAXGRRGSBUTWID-OAHLLOKOSA-N 2 1 333.436 -0.284 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001165278805 832210647 /nfs/dbraw/zinc/21/06/47/832210647.db2.gz XCEBXIJZTSQWLG-UKRRQHHQSA-N 2 1 345.447 -0.012 20 30 EBEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001167235860 832319022 /nfs/dbraw/zinc/31/90/22/832319022.db2.gz BCLDAVPCLRRJIX-KGLIPLIRSA-N 2 1 335.452 -0.300 20 30 EBEDMP C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001169982495 832487163 /nfs/dbraw/zinc/48/71/63/832487163.db2.gz LPPMAEMEZNBDHM-KBPBESRZSA-N 2 1 339.440 -0.779 20 30 EBEDMP C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001169982495 832487165 /nfs/dbraw/zinc/48/71/65/832487165.db2.gz LPPMAEMEZNBDHM-KBPBESRZSA-N 2 1 339.440 -0.779 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001169990899 832488063 /nfs/dbraw/zinc/48/80/63/832488063.db2.gz KBEJSHZAWGMGSD-LSDHHAIUSA-N 2 1 338.452 -0.669 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001169990899 832488067 /nfs/dbraw/zinc/48/80/67/832488067.db2.gz KBEJSHZAWGMGSD-LSDHHAIUSA-N 2 1 338.452 -0.669 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176071629 832655646 /nfs/dbraw/zinc/65/56/46/832655646.db2.gz HDAYXYZPSIHVPL-LBPRGKRZSA-N 2 1 325.413 -0.954 20 30 EBEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1=O ZINC001176644267 832685977 /nfs/dbraw/zinc/68/59/77/832685977.db2.gz NQECEDJSGDUMFW-LSDHHAIUSA-N 2 1 338.452 -0.410 20 30 EBEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1=O ZINC001176644267 832685978 /nfs/dbraw/zinc/68/59/78/832685978.db2.gz NQECEDJSGDUMFW-LSDHHAIUSA-N 2 1 338.452 -0.410 20 30 EBEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801685 834193220 /nfs/dbraw/zinc/19/32/20/834193220.db2.gz JGQGPLGQTQGCJY-LSDHHAIUSA-N 2 1 332.448 -0.083 20 30 EBEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801685 834193225 /nfs/dbraw/zinc/19/32/25/834193225.db2.gz JGQGPLGQTQGCJY-LSDHHAIUSA-N 2 1 332.448 -0.083 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@H]2O)CC1 ZINC001199029413 835752836 /nfs/dbraw/zinc/75/28/36/835752836.db2.gz KPYXXWNINNZKGA-QZTJIDSGSA-N 2 1 349.475 -0.081 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@H]2O)CC1 ZINC001199029413 835752842 /nfs/dbraw/zinc/75/28/42/835752842.db2.gz KPYXXWNINNZKGA-QZTJIDSGSA-N 2 1 349.475 -0.081 20 30 EBEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200183432 835926049 /nfs/dbraw/zinc/92/60/49/835926049.db2.gz XONLLDUFGCOULS-CVEARBPZSA-N 2 1 339.436 -0.826 20 30 EBEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200183432 835926058 /nfs/dbraw/zinc/92/60/58/835926058.db2.gz XONLLDUFGCOULS-CVEARBPZSA-N 2 1 339.436 -0.826 20 30 EBEDMP CCC[N@@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001201924240 836216646 /nfs/dbraw/zinc/21/66/46/836216646.db2.gz GOARQRUXDXANKH-AWEZNQCLSA-N 2 1 339.440 -0.825 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@@H](O)COC)CC1 ZINC001205479690 836570253 /nfs/dbraw/zinc/57/02/53/836570253.db2.gz SNNACTYTKOFTTB-SJORKVTESA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@@H](O)COC)CC1 ZINC001205479690 836570261 /nfs/dbraw/zinc/57/02/61/836570261.db2.gz SNNACTYTKOFTTB-SJORKVTESA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001208571490 837088426 /nfs/dbraw/zinc/08/84/26/837088426.db2.gz FBBRQQBHUISANN-LSDHHAIUSA-N 2 1 331.420 -0.090 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210297892 837267855 /nfs/dbraw/zinc/26/78/55/837267855.db2.gz JFKQPWTWAFNHQB-QLFBSQMISA-N 2 1 338.452 -0.861 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210297892 837267861 /nfs/dbraw/zinc/26/78/61/837267861.db2.gz JFKQPWTWAFNHQB-QLFBSQMISA-N 2 1 338.452 -0.861 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+][C@@H](C)c2ncccn2)CC1 ZINC001320316191 838756646 /nfs/dbraw/zinc/75/66/46/838756646.db2.gz LLMZLOQSZWIKCN-GOEBONIOSA-N 2 1 345.447 -0.051 20 30 EBEDMP C#CCN(C(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CC(=O)NC)CC1 ZINC001324440631 839658221 /nfs/dbraw/zinc/65/82/21/839658221.db2.gz XZEIWEWFMFCMSR-UHFFFAOYSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[N@H+](C)C1CCN(C(=O)Cn2cncc2C)CC1 ZINC001331045756 841321793 /nfs/dbraw/zinc/32/17/93/841321793.db2.gz USIVXSSBUGPCNY-UHFFFAOYSA-N 2 1 331.420 -0.136 20 30 EBEDMP C#CCNC(=O)C[N@H+](C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001331045756 841321816 /nfs/dbraw/zinc/32/18/16/841321816.db2.gz USIVXSSBUGPCNY-UHFFFAOYSA-N 2 1 331.420 -0.136 20 30 EBEDMP C[N@@H+](CC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C(C)(C)C1)C1CCC1 ZINC001332385536 841630780 /nfs/dbraw/zinc/63/07/80/841630780.db2.gz BKXQSGLFJBIXPB-CQSZACIVSA-N 2 1 335.452 -0.063 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC1(C)C ZINC001332442753 841642062 /nfs/dbraw/zinc/64/20/62/841642062.db2.gz JTORAEGPPPWSEF-CQSZACIVSA-N 2 1 331.420 -0.232 20 30 EBEDMP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001332928016 841766732 /nfs/dbraw/zinc/76/67/32/841766732.db2.gz AOVOYJJDHDUJDW-CVEARBPZSA-N 2 1 337.468 -0.080 20 30 EBEDMP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001337078232 842573991 /nfs/dbraw/zinc/57/39/91/842573991.db2.gz SZPBQFVFBRZCKO-GOSISDBHSA-N 2 1 348.491 -0.098 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001691097635 1125832755 /nfs/dbraw/zinc/83/27/55/1125832755.db2.gz PEFFFUWDHNUJCF-CYBMUJFWSA-N 2 1 339.440 -0.470 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001691097635 1125832756 /nfs/dbraw/zinc/83/27/56/1125832756.db2.gz PEFFFUWDHNUJCF-CYBMUJFWSA-N 2 1 339.440 -0.470 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001481233711 1125948718 /nfs/dbraw/zinc/94/87/18/1125948718.db2.gz WLPQUSNFANVKCO-OAHLLOKOSA-N 2 1 346.435 -0.413 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001481233711 1125948719 /nfs/dbraw/zinc/94/87/19/1125948719.db2.gz WLPQUSNFANVKCO-OAHLLOKOSA-N 2 1 346.435 -0.413 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001482058870 1126074695 /nfs/dbraw/zinc/07/46/95/1126074695.db2.gz LVMDWOSNRQADBL-MCIONIFRSA-N 2 1 349.435 -0.752 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001482058870 1126074699 /nfs/dbraw/zinc/07/46/99/1126074699.db2.gz LVMDWOSNRQADBL-MCIONIFRSA-N 2 1 349.435 -0.752 20 30 EBEDMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N)C2 ZINC001482331614 1126133144 /nfs/dbraw/zinc/13/31/44/1126133144.db2.gz RZRAFVZFRXCWFS-TZMCWYRMSA-N 2 1 346.435 -0.170 20 30 EBEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N)C2 ZINC001482331611 1126133307 /nfs/dbraw/zinc/13/33/07/1126133307.db2.gz RZRAFVZFRXCWFS-JSGCOSHPSA-N 2 1 346.435 -0.170 20 30 EBEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001691527542 1126189518 /nfs/dbraw/zinc/18/95/18/1126189518.db2.gz BLRHKXLAFKYMKE-MRXNPFEDSA-N 2 1 347.463 -0.023 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC001482663766 1126248494 /nfs/dbraw/zinc/24/84/94/1126248494.db2.gz BXAWTMGLMKJJSE-HUUCEWRRSA-N 2 1 345.447 -0.355 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001482762049 1126280240 /nfs/dbraw/zinc/28/02/40/1126280240.db2.gz IXOKGRGRDAJQEK-UKRRQHHQSA-N 2 1 349.435 -0.877 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCS(C)(=O)=O ZINC001483020168 1126313723 /nfs/dbraw/zinc/31/37/23/1126313723.db2.gz WTKNZEJSTCJKJU-WSNITJDQSA-N 2 1 327.450 -0.609 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCS(C)(=O)=O ZINC001483020168 1126313725 /nfs/dbraw/zinc/31/37/25/1126313725.db2.gz WTKNZEJSTCJKJU-WSNITJDQSA-N 2 1 327.450 -0.609 20 30 EBEDMP C=CCN1CC[C@@H]([NH2+]C2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1=O ZINC001483724740 1126464299 /nfs/dbraw/zinc/46/42/99/1126464299.db2.gz RLIGPQWHGUITAY-ZIAGYGMSSA-N 2 1 336.436 -0.658 20 30 EBEDMP C=CCN1CC[C@@H]([NH2+]C2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1=O ZINC001483724740 1126464301 /nfs/dbraw/zinc/46/43/01/1126464301.db2.gz RLIGPQWHGUITAY-ZIAGYGMSSA-N 2 1 336.436 -0.658 20 30 EBEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C1CCCC1 ZINC001483997797 1126496322 /nfs/dbraw/zinc/49/63/22/1126496322.db2.gz YRCRESFBOXXHHQ-CABCVRRESA-N 2 1 335.452 -0.015 20 30 EBEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001484239413 1126537055 /nfs/dbraw/zinc/53/70/55/1126537055.db2.gz XQZAHNPNXGLSRA-BBRMVZONSA-N 2 1 326.441 -0.818 20 30 EBEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001484238569 1126536657 /nfs/dbraw/zinc/53/66/57/1126536657.db2.gz JGVPMQNWGTXNKQ-RHSMWYFYSA-N 2 1 338.452 -0.722 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001484409160 1126570173 /nfs/dbraw/zinc/57/01/73/1126570173.db2.gz KGCUQQNUAHLLFK-HRCADAONSA-N 2 1 346.475 -0.001 20 30 EBEDMP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)CC2 ZINC001484578184 1126605164 /nfs/dbraw/zinc/60/51/64/1126605164.db2.gz HNFNYOQHLJIDOU-AWEZNQCLSA-N 2 1 333.436 -0.355 20 30 EBEDMP C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)CC2 ZINC001484578184 1126605165 /nfs/dbraw/zinc/60/51/65/1126605165.db2.gz HNFNYOQHLJIDOU-AWEZNQCLSA-N 2 1 333.436 -0.355 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001484678466 1126618919 /nfs/dbraw/zinc/61/89/19/1126618919.db2.gz YPWOOJWPMXMMCA-QLFBSQMISA-N 2 1 338.452 -0.554 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2C)CC1 ZINC001093224340 1128308951 /nfs/dbraw/zinc/30/89/51/1128308951.db2.gz QYACIEMZSOLQBR-OIISXLGYSA-N 2 1 346.475 -0.096 20 30 EBEDMP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]2C1)[NH+](C)C ZINC001489206800 1128931821 /nfs/dbraw/zinc/93/18/21/1128931821.db2.gz PTKAEBKWOSQAEM-ILXRZTDVSA-N 2 1 335.452 -0.253 20 30 EBEDMP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)CC[C@@H]2C1)[NH+](C)C ZINC001489206800 1128931824 /nfs/dbraw/zinc/93/18/24/1128931824.db2.gz PTKAEBKWOSQAEM-ILXRZTDVSA-N 2 1 335.452 -0.253 20 30 EBEDMP N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001490902076 1130232589 /nfs/dbraw/zinc/23/25/89/1130232589.db2.gz BWAHMMMQSKCUCJ-KBUPBQIOSA-N 2 1 333.436 -0.120 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)NCC#N)C1 ZINC001490976841 1130276102 /nfs/dbraw/zinc/27/61/02/1130276102.db2.gz KAGBRAIZPJJYHU-AVOUXACISA-N 2 1 333.436 -0.311 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NCC#N)C1 ZINC001490976841 1130276108 /nfs/dbraw/zinc/27/61/08/1130276108.db2.gz KAGBRAIZPJJYHU-AVOUXACISA-N 2 1 333.436 -0.311 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NCC#N)C1 ZINC001490976841 1130276114 /nfs/dbraw/zinc/27/61/14/1130276114.db2.gz KAGBRAIZPJJYHU-AVOUXACISA-N 2 1 333.436 -0.311 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCNC(=O)NC(C)C ZINC001492293969 1130634559 /nfs/dbraw/zinc/63/45/59/1130634559.db2.gz TWDBCYBWXWSNMU-HNNXBMFYSA-N 2 1 337.468 -0.160 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCNC(=O)NC(C)C ZINC001492293969 1130634562 /nfs/dbraw/zinc/63/45/62/1130634562.db2.gz TWDBCYBWXWSNMU-HNNXBMFYSA-N 2 1 337.468 -0.160 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCNC(=O)NC(C)C ZINC001492293969 1130634566 /nfs/dbraw/zinc/63/45/66/1130634566.db2.gz TWDBCYBWXWSNMU-HNNXBMFYSA-N 2 1 337.468 -0.160 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCNC(=O)NC(C)C ZINC001492293969 1130634567 /nfs/dbraw/zinc/63/45/67/1130634567.db2.gz TWDBCYBWXWSNMU-HNNXBMFYSA-N 2 1 337.468 -0.160 20 30 EBEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@@](O)(CC#N)C2)C1 ZINC000592148685 377797005 /nfs/dbraw/zinc/79/70/05/377797005.db2.gz ZCRXQYKSKBBYQX-WBVHZDCISA-N 2 1 338.452 -0.190 20 30 EBEDMP CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@@](O)(CC#N)C2)C1 ZINC000592148685 377797008 /nfs/dbraw/zinc/79/70/08/377797008.db2.gz ZCRXQYKSKBBYQX-WBVHZDCISA-N 2 1 338.452 -0.190 20 30 EBEDMP CN(C)C(=O)[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C(=O)N(C)C)C2)C1 ZINC000411946152 379124540 /nfs/dbraw/zinc/12/45/40/379124540.db2.gz KZWROUNXHRKPRU-IYBDPMFKSA-N 2 1 334.464 -0.190 20 30 EBEDMP CN(C)C(=O)[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](C(=O)N(C)C)C2)C1 ZINC000411946152 379124554 /nfs/dbraw/zinc/12/45/54/379124554.db2.gz KZWROUNXHRKPRU-IYBDPMFKSA-N 2 1 334.464 -0.190 20 30 EBEDMP CN(C)C(=O)[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](C(=O)N(C)C)C2)C1 ZINC000411946152 379124563 /nfs/dbraw/zinc/12/45/63/379124563.db2.gz KZWROUNXHRKPRU-IYBDPMFKSA-N 2 1 334.464 -0.190 20 30 EBEDMP CC[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261650106 379221631 /nfs/dbraw/zinc/22/16/31/379221631.db2.gz FBFJEPWZGWBSHG-CQSZACIVSA-N 2 1 347.467 -0.014 20 30 EBEDMP [NH2+]=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CCOCC1 ZINC000264072220 379243951 /nfs/dbraw/zinc/24/39/51/379243951.db2.gz GMDKPHKOLQDTIP-UHFFFAOYSA-N 2 1 333.440 -0.364 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000490820389 379565878 /nfs/dbraw/zinc/56/58/78/379565878.db2.gz OBMDXSKVTWYACA-UHFFFAOYSA-N 2 1 334.464 -0.046 20 30 EBEDMP CN(CCC#N)C(=O)CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000354899295 380113942 /nfs/dbraw/zinc/11/39/42/380113942.db2.gz ABQKQYHHPKGJAC-UHFFFAOYSA-N 2 1 338.452 -0.092 20 30 EBEDMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000552414245 381156165 /nfs/dbraw/zinc/15/61/65/381156165.db2.gz MJGDBHMEXWKALA-UHFFFAOYSA-N 2 1 327.392 -0.145 20 30 EBEDMP CO[C@H]1C[N@@H+](CC#CC[NH+]2C[C@@H](OC)C[C@@]2(C)CO)[C@@](C)(CO)C1 ZINC000639999169 381173803 /nfs/dbraw/zinc/17/38/03/381173803.db2.gz ITBYHWZPRBEVEX-USTZCAOPSA-N 2 1 340.464 -0.067 20 30 EBEDMP CO[C@H]1C[NH+](CC#CC[N@@H+]2C[C@@H](OC)C[C@@]2(C)CO)[C@@](C)(CO)C1 ZINC000639999169 381173804 /nfs/dbraw/zinc/17/38/04/381173804.db2.gz ITBYHWZPRBEVEX-USTZCAOPSA-N 2 1 340.464 -0.067 20 30 EBEDMP CO[C@H]1C[NH+](CC#CC[N@H+]2C[C@@H](OC)C[C@@]2(C)CO)[C@@](C)(CO)C1 ZINC000639999169 381173808 /nfs/dbraw/zinc/17/38/08/381173808.db2.gz ITBYHWZPRBEVEX-USTZCAOPSA-N 2 1 340.464 -0.067 20 30 EBEDMP C[NH+]1CCN(C(=O)CCNC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000329517550 381600553 /nfs/dbraw/zinc/60/05/53/381600553.db2.gz NEUPBOIALHNOAB-UHFFFAOYSA-N 2 1 341.456 -0.889 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430632170 382024262 /nfs/dbraw/zinc/02/42/62/382024262.db2.gz XKXTXDDNVSMQJH-NEPJUHHUSA-N 2 1 325.413 -0.826 20 30 EBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656310708 420888167 /nfs/dbraw/zinc/88/81/67/420888167.db2.gz DGNXHNVZQYEYNF-LSDHHAIUSA-N 2 1 336.436 -0.970 20 30 EBEDMP CO[C@]1(CO)CCCN(CC#CC[N@H+]2CCC[C@@](CO)(OC)C2)C1 ZINC000661390993 421067082 /nfs/dbraw/zinc/06/70/82/421067082.db2.gz DKOGWJAAAXPNAZ-QZTJIDSGSA-N 2 1 340.464 -0.064 20 30 EBEDMP CO[C@]1(CO)CCC[NH+](CC#CC[N@H+]2CCC[C@@](CO)(OC)C2)C1 ZINC000661390993 421067085 /nfs/dbraw/zinc/06/70/85/421067085.db2.gz DKOGWJAAAXPNAZ-QZTJIDSGSA-N 2 1 340.464 -0.064 20 30 EBEDMP CO[C@]1(CO)CCC[NH+](CC#CC[N@@H+]2CCC[C@@](CO)(OC)C2)C1 ZINC000661390993 421067091 /nfs/dbraw/zinc/06/70/91/421067091.db2.gz DKOGWJAAAXPNAZ-QZTJIDSGSA-N 2 1 340.464 -0.064 20 30 EBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000133837312 584615119 /nfs/dbraw/zinc/61/51/19/584615119.db2.gz WIKKCCDLPATCPY-STQMWFEESA-N 2 1 331.486 -0.344 20 30 EBEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@@H]1CCc2nc(COC)nn2C1 ZINC000261988170 649986199 /nfs/dbraw/zinc/98/61/99/649986199.db2.gz QQSSXIDFBBBAII-QWHCGFSZSA-N 2 1 335.456 -0.144 20 30 EBEDMP C[NH+]=C(NCCCN1CCC[N@@H+](C)CC1)NCCN1CCOCC1 ZINC000303981185 649993232 /nfs/dbraw/zinc/99/32/32/649993232.db2.gz OWGCOFMMOBCXIB-UHFFFAOYSA-N 2 1 340.516 -0.489 20 30 EBEDMP C[NH+]=C(NCCC[N@@H+]1CCCN(C)CC1)NCCN1CCOCC1 ZINC000303981185 649993238 /nfs/dbraw/zinc/99/32/38/649993238.db2.gz OWGCOFMMOBCXIB-UHFFFAOYSA-N 2 1 340.516 -0.489 20 30 EBEDMP C[NH+]=C(NCCC[N@H+]1CCCN(C)CC1)NCCN1CCOCC1 ZINC000303981185 649993242 /nfs/dbraw/zinc/99/32/42/649993242.db2.gz OWGCOFMMOBCXIB-UHFFFAOYSA-N 2 1 340.516 -0.489 20 30 EBEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000941413874 652723243 /nfs/dbraw/zinc/72/32/43/652723243.db2.gz IDORWMQTPHFZLE-AEFFLSMTSA-N 2 1 346.475 -0.299 20 30 EBEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000941413874 652723244 /nfs/dbraw/zinc/72/32/44/652723244.db2.gz IDORWMQTPHFZLE-AEFFLSMTSA-N 2 1 346.475 -0.299 20 30 EBEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000941414721 652724015 /nfs/dbraw/zinc/72/40/15/652724015.db2.gz YJYMVTJAVLNWJB-DOTOQJQBSA-N 2 1 334.464 -0.136 20 30 EBEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000941414721 652724016 /nfs/dbraw/zinc/72/40/16/652724016.db2.gz YJYMVTJAVLNWJB-DOTOQJQBSA-N 2 1 334.464 -0.136 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]2CC1 ZINC000946628176 653172892 /nfs/dbraw/zinc/17/28/92/653172892.db2.gz KIIXHZFOKFZADW-XHSDSOJGSA-N 2 1 332.448 -0.260 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2CC1 ZINC000946628176 653172896 /nfs/dbraw/zinc/17/28/96/653172896.db2.gz KIIXHZFOKFZADW-XHSDSOJGSA-N 2 1 332.448 -0.260 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC(N)=O)C[C@H]2CC1 ZINC000946628176 653172901 /nfs/dbraw/zinc/17/29/01/653172901.db2.gz KIIXHZFOKFZADW-XHSDSOJGSA-N 2 1 332.448 -0.260 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC(N)=O)C[C@H]2CC1 ZINC000946628176 653172904 /nfs/dbraw/zinc/17/29/04/653172904.db2.gz KIIXHZFOKFZADW-XHSDSOJGSA-N 2 1 332.448 -0.260 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000941237516 653461794 /nfs/dbraw/zinc/46/17/94/653461794.db2.gz BMXHLRHGJHZOGA-OWCLPIDISA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000941237516 653461800 /nfs/dbraw/zinc/46/18/00/653461800.db2.gz BMXHLRHGJHZOGA-OWCLPIDISA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000941237516 653461806 /nfs/dbraw/zinc/46/18/06/653461806.db2.gz BMXHLRHGJHZOGA-OWCLPIDISA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000941237516 653461809 /nfs/dbraw/zinc/46/18/09/653461809.db2.gz BMXHLRHGJHZOGA-OWCLPIDISA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000941245840 653466290 /nfs/dbraw/zinc/46/62/90/653466290.db2.gz XMNPKEPPHWWWIR-XHSDSOJGSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000941245840 653466292 /nfs/dbraw/zinc/46/62/92/653466292.db2.gz XMNPKEPPHWWWIR-XHSDSOJGSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000941245840 653466295 /nfs/dbraw/zinc/46/62/95/653466295.db2.gz XMNPKEPPHWWWIR-XHSDSOJGSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000941245840 653466298 /nfs/dbraw/zinc/46/62/98/653466298.db2.gz XMNPKEPPHWWWIR-XHSDSOJGSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000951241691 654431072 /nfs/dbraw/zinc/43/10/72/654431072.db2.gz TUNIPLOWSYQJKI-HOTGVXAUSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000951241691 654431076 /nfs/dbraw/zinc/43/10/76/654431076.db2.gz TUNIPLOWSYQJKI-HOTGVXAUSA-N 2 1 344.459 -0.103 20 30 EBEDMP C[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N1CCO[C@@H](COC)C1 ZINC000245898917 719409422 /nfs/dbraw/zinc/40/94/22/719409422.db2.gz KWDHECNBDJJRRK-OAHLLOKOSA-N 2 1 327.473 -0.454 20 30 EBEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000958077195 722301578 /nfs/dbraw/zinc/30/15/78/722301578.db2.gz RHYLRLXITVDJHO-HOCLYGCPSA-N 2 1 333.436 -0.510 20 30 EBEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000958468179 722371606 /nfs/dbraw/zinc/37/16/06/722371606.db2.gz SULREFSRZQKARW-HOCLYGCPSA-N 2 1 333.436 -0.510 20 30 EBEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCCC2)C1=O ZINC000962552237 723282883 /nfs/dbraw/zinc/28/28/83/723282883.db2.gz CVHNODIUEOPJME-QSJFSLAZSA-N 2 1 332.448 -0.085 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cnn(C)n3)C2)CC1 ZINC000970792474 725329129 /nfs/dbraw/zinc/32/91/29/725329129.db2.gz LDKRPINKKAVRLL-OAHLLOKOSA-N 2 1 330.436 -0.149 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000973293115 725698841 /nfs/dbraw/zinc/69/88/41/725698841.db2.gz QCFQXKKWZWGGFP-JYJNAYRXSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000973293115 725698844 /nfs/dbraw/zinc/69/88/44/725698844.db2.gz QCFQXKKWZWGGFP-JYJNAYRXSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000994754921 726074217 /nfs/dbraw/zinc/07/42/17/726074217.db2.gz OFKJTOLPZHGBIQ-JKSUJKDBSA-N 2 1 332.448 -0.249 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000994754921 726074219 /nfs/dbraw/zinc/07/42/19/726074219.db2.gz OFKJTOLPZHGBIQ-JKSUJKDBSA-N 2 1 332.448 -0.249 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000976533550 726337284 /nfs/dbraw/zinc/33/72/84/726337284.db2.gz ROSWCGZRZGNKKH-NRKLIOEPSA-N 2 1 344.459 -0.391 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000976533550 726337287 /nfs/dbraw/zinc/33/72/87/726337287.db2.gz ROSWCGZRZGNKKH-NRKLIOEPSA-N 2 1 344.459 -0.391 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000976533550 726337291 /nfs/dbraw/zinc/33/72/91/726337291.db2.gz ROSWCGZRZGNKKH-NRKLIOEPSA-N 2 1 344.459 -0.391 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000976533550 726337295 /nfs/dbraw/zinc/33/72/95/726337295.db2.gz ROSWCGZRZGNKKH-NRKLIOEPSA-N 2 1 344.459 -0.391 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC000996683471 726422123 /nfs/dbraw/zinc/42/21/23/726422123.db2.gz CUOXIKSNRIXSTC-CABCVRRESA-N 2 1 346.431 -0.530 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC000996683471 726422124 /nfs/dbraw/zinc/42/21/24/726422124.db2.gz CUOXIKSNRIXSTC-CABCVRRESA-N 2 1 346.431 -0.530 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCN2CCNC2=O)C1 ZINC000998928622 726501586 /nfs/dbraw/zinc/50/15/86/726501586.db2.gz OVUMTFBNEWFBPY-GPANFISMSA-N 2 1 347.463 -0.312 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCN2CCNC2=O)C1 ZINC000998928622 726501587 /nfs/dbraw/zinc/50/15/87/726501587.db2.gz OVUMTFBNEWFBPY-GPANFISMSA-N 2 1 347.463 -0.312 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCn2cncn2)C1 ZINC000999391524 726517867 /nfs/dbraw/zinc/51/78/67/726517867.db2.gz LNAFQEOHVCNTST-HOTGVXAUSA-N 2 1 330.436 -0.044 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCn2cncn2)C1 ZINC000999391524 726517868 /nfs/dbraw/zinc/51/78/68/726517868.db2.gz LNAFQEOHVCNTST-HOTGVXAUSA-N 2 1 330.436 -0.044 20 30 EBEDMP C#CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[N@H+](C)CCO3)nn2)C1 ZINC000999976298 726546215 /nfs/dbraw/zinc/54/62/15/726546215.db2.gz SZLAXWPSUABWOR-JKSUJKDBSA-N 2 1 346.435 -0.505 20 30 EBEDMP C#CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[N@@H+](C)CCO3)nn2)C1 ZINC000999976298 726546216 /nfs/dbraw/zinc/54/62/16/726546216.db2.gz SZLAXWPSUABWOR-JKSUJKDBSA-N 2 1 346.435 -0.505 20 30 EBEDMP C#CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[NH+](C)CCO3)nn2)C1 ZINC000999976298 726546217 /nfs/dbraw/zinc/54/62/17/726546217.db2.gz SZLAXWPSUABWOR-JKSUJKDBSA-N 2 1 346.435 -0.505 20 30 EBEDMP C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[NH+](C)CCO3)nn2)C1 ZINC000999976298 726546218 /nfs/dbraw/zinc/54/62/18/726546218.db2.gz SZLAXWPSUABWOR-JKSUJKDBSA-N 2 1 346.435 -0.505 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001002001917 726629654 /nfs/dbraw/zinc/62/96/54/726629654.db2.gz QIFPMHJJMHOIEG-KRWDZBQOSA-N 2 1 346.475 -0.142 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001020250834 729114766 /nfs/dbraw/zinc/11/47/66/729114766.db2.gz UDKLDEIGKFNXFG-FPCVCCKLSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001020250834 729114768 /nfs/dbraw/zinc/11/47/68/729114768.db2.gz UDKLDEIGKFNXFG-FPCVCCKLSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001026892735 730168190 /nfs/dbraw/zinc/16/81/90/730168190.db2.gz AVMBVGGFURUWHP-HOCLYGCPSA-N 2 1 330.436 -0.149 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001026892735 730168191 /nfs/dbraw/zinc/16/81/91/730168191.db2.gz AVMBVGGFURUWHP-HOCLYGCPSA-N 2 1 330.436 -0.149 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCNC2=O)CC1 ZINC001032802288 730934768 /nfs/dbraw/zinc/93/47/68/730934768.db2.gz SWYMGDBERLYFPD-HRCADAONSA-N 2 1 330.432 -0.495 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCNC2=O)CC1 ZINC001032802288 730934769 /nfs/dbraw/zinc/93/47/69/730934769.db2.gz SWYMGDBERLYFPD-HRCADAONSA-N 2 1 330.432 -0.495 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001033687856 731063879 /nfs/dbraw/zinc/06/38/79/731063879.db2.gz LRJHLOCKFIQPOB-HZPDHXFCSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001033687856 731063882 /nfs/dbraw/zinc/06/38/82/731063882.db2.gz LRJHLOCKFIQPOB-HZPDHXFCSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001045664588 733749153 /nfs/dbraw/zinc/74/91/53/733749153.db2.gz KRQBHIAUDPFFBZ-JKSUJKDBSA-N 2 1 335.448 -0.063 20 30 EBEDMP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001045664588 733749154 /nfs/dbraw/zinc/74/91/54/733749154.db2.gz KRQBHIAUDPFFBZ-JKSUJKDBSA-N 2 1 335.448 -0.063 20 30 EBEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)COC3CC[NH+](C)CC3)CC2)C1 ZINC001046075488 733850406 /nfs/dbraw/zinc/85/04/06/733850406.db2.gz UTXSGQPANZWMEE-KRWDZBQOSA-N 2 1 348.491 -0.051 20 30 EBEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC001046085989 733858563 /nfs/dbraw/zinc/85/85/63/733858563.db2.gz LHERUFKEPBWFTK-IRXDYDNUSA-N 2 1 334.464 -0.441 20 30 EBEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC001046085989 733858565 /nfs/dbraw/zinc/85/85/65/733858565.db2.gz LHERUFKEPBWFTK-IRXDYDNUSA-N 2 1 334.464 -0.441 20 30 EBEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)CC2)C1 ZINC001046085989 733858570 /nfs/dbraw/zinc/85/85/70/733858570.db2.gz LHERUFKEPBWFTK-IRXDYDNUSA-N 2 1 334.464 -0.441 20 30 EBEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)CC2)C1 ZINC001046085989 733858572 /nfs/dbraw/zinc/85/85/72/733858572.db2.gz LHERUFKEPBWFTK-IRXDYDNUSA-N 2 1 334.464 -0.441 20 30 EBEDMP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC001046087756 733859720 /nfs/dbraw/zinc/85/97/20/733859720.db2.gz ZSMRYFUGULYYNQ-ZWKOTPCHSA-N 2 1 348.491 -0.051 20 30 EBEDMP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC001046087756 733859722 /nfs/dbraw/zinc/85/97/22/733859722.db2.gz ZSMRYFUGULYYNQ-ZWKOTPCHSA-N 2 1 348.491 -0.051 20 30 EBEDMP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC2)C1 ZINC001046087756 733859723 /nfs/dbraw/zinc/85/97/23/733859723.db2.gz ZSMRYFUGULYYNQ-ZWKOTPCHSA-N 2 1 348.491 -0.051 20 30 EBEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC2)C1 ZINC001046087756 733859725 /nfs/dbraw/zinc/85/97/25/733859725.db2.gz ZSMRYFUGULYYNQ-ZWKOTPCHSA-N 2 1 348.491 -0.051 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001046849520 734040931 /nfs/dbraw/zinc/04/09/31/734040931.db2.gz GFPMTDHUJWHVFP-QAPCUYQASA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001046849520 734040932 /nfs/dbraw/zinc/04/09/32/734040932.db2.gz GFPMTDHUJWHVFP-QAPCUYQASA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2C1 ZINC001048868731 734546359 /nfs/dbraw/zinc/54/63/59/734546359.db2.gz LCTHCJCRWFXFFU-XHSDSOJGSA-N 2 1 332.448 -0.438 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2C1 ZINC001048868731 734546362 /nfs/dbraw/zinc/54/63/62/734546362.db2.gz LCTHCJCRWFXFFU-XHSDSOJGSA-N 2 1 332.448 -0.438 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)C)C[C@@H]2C1 ZINC001048868731 734546365 /nfs/dbraw/zinc/54/63/65/734546365.db2.gz LCTHCJCRWFXFFU-XHSDSOJGSA-N 2 1 332.448 -0.438 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)C)C[C@@H]2C1 ZINC001048868731 734546366 /nfs/dbraw/zinc/54/63/66/734546366.db2.gz LCTHCJCRWFXFFU-XHSDSOJGSA-N 2 1 332.448 -0.438 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001055385082 736342260 /nfs/dbraw/zinc/34/22/60/736342260.db2.gz WTHRRGNXQOSPKA-BBWFWOEESA-N 2 1 346.475 -0.048 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001055385082 736342264 /nfs/dbraw/zinc/34/22/64/736342264.db2.gz WTHRRGNXQOSPKA-BBWFWOEESA-N 2 1 346.475 -0.048 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@H]1CCN(C)C1=O)C2 ZINC001072822830 741494642 /nfs/dbraw/zinc/49/46/42/741494642.db2.gz VBMINRBNSZOGAL-HOTGVXAUSA-N 2 1 344.459 -0.151 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCN(C)C1=O)C2 ZINC001072822830 741494644 /nfs/dbraw/zinc/49/46/44/741494644.db2.gz VBMINRBNSZOGAL-HOTGVXAUSA-N 2 1 344.459 -0.151 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@H]1CCN(C)C1=O)C2 ZINC001072822830 741494648 /nfs/dbraw/zinc/49/46/48/741494648.db2.gz VBMINRBNSZOGAL-HOTGVXAUSA-N 2 1 344.459 -0.151 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@H]1CCN(C)C1=O)C2 ZINC001072822830 741494650 /nfs/dbraw/zinc/49/46/50/741494650.db2.gz VBMINRBNSZOGAL-HOTGVXAUSA-N 2 1 344.459 -0.151 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCN(C)C1=O)C2 ZINC001072822831 741494680 /nfs/dbraw/zinc/49/46/80/741494680.db2.gz VBMINRBNSZOGAL-JKSUJKDBSA-N 2 1 344.459 -0.151 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCN(C)C1=O)C2 ZINC001072822831 741494682 /nfs/dbraw/zinc/49/46/82/741494682.db2.gz VBMINRBNSZOGAL-JKSUJKDBSA-N 2 1 344.459 -0.151 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H]1CCN(C)C1=O)C2 ZINC001072822831 741494684 /nfs/dbraw/zinc/49/46/84/741494684.db2.gz VBMINRBNSZOGAL-JKSUJKDBSA-N 2 1 344.459 -0.151 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H]1CCN(C)C1=O)C2 ZINC001072822831 741494685 /nfs/dbraw/zinc/49/46/85/741494685.db2.gz VBMINRBNSZOGAL-JKSUJKDBSA-N 2 1 344.459 -0.151 20 30 EBEDMP N#Cc1[nH]cnc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218594244 810508409 /nfs/dbraw/zinc/50/84/09/810508409.db2.gz BQJXZJMMYHVNLW-JQWIXIFHSA-N 2 1 333.396 -0.333 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC[C@@H](C)O)C[C@@H]2O)CC1 ZINC001221066468 811359145 /nfs/dbraw/zinc/35/91/45/811359145.db2.gz YWCQOPBLIMQLFD-OIISXLGYSA-N 2 1 337.464 -0.346 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCOCC)C[C@@H]2O)CC1 ZINC001221079368 811367957 /nfs/dbraw/zinc/36/79/57/811367957.db2.gz WEOJVRUUZDVOPB-SJORKVTESA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221776913 811532998 /nfs/dbraw/zinc/53/29/98/811532998.db2.gz KCAFSNMDYXDYEH-ARFHVFGLSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221776913 811533001 /nfs/dbraw/zinc/53/30/01/811533001.db2.gz KCAFSNMDYXDYEH-ARFHVFGLSA-N 2 1 334.464 -0.001 20 30 EBEDMP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001223388142 811702188 /nfs/dbraw/zinc/70/21/88/811702188.db2.gz YCWXTTPJWGIAFK-CABCVRRESA-N 2 1 335.452 -0.109 20 30 EBEDMP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001223388142 811702192 /nfs/dbraw/zinc/70/21/92/811702192.db2.gz YCWXTTPJWGIAFK-CABCVRRESA-N 2 1 335.452 -0.109 20 30 EBEDMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001224546643 811764993 /nfs/dbraw/zinc/76/49/93/811764993.db2.gz PEZCXUCQNKNRDH-UKRRQHHQSA-N 2 1 335.452 -0.348 20 30 EBEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001224546643 811764998 /nfs/dbraw/zinc/76/49/98/811764998.db2.gz PEZCXUCQNKNRDH-UKRRQHHQSA-N 2 1 335.452 -0.348 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001225426529 811809141 /nfs/dbraw/zinc/80/91/41/811809141.db2.gz BJIQLURQRJLQDY-GDBMZVCRSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001226853288 811886016 /nfs/dbraw/zinc/88/60/16/811886016.db2.gz IBRWGDVDCHWHCQ-ZACQAIPSSA-N 2 1 344.459 -0.150 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001226853288 811886023 /nfs/dbraw/zinc/88/60/23/811886023.db2.gz IBRWGDVDCHWHCQ-ZACQAIPSSA-N 2 1 344.459 -0.150 20 30 EBEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001265819478 813378330 /nfs/dbraw/zinc/37/83/30/813378330.db2.gz LIWVVBWVOCECRE-UONOGXRCSA-N 2 1 326.441 -0.554 20 30 EBEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001265819478 813378337 /nfs/dbraw/zinc/37/83/37/813378337.db2.gz LIWVVBWVOCECRE-UONOGXRCSA-N 2 1 326.441 -0.554 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001265819478 813378345 /nfs/dbraw/zinc/37/83/45/813378345.db2.gz LIWVVBWVOCECRE-UONOGXRCSA-N 2 1 326.441 -0.554 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001265819478 813378354 /nfs/dbraw/zinc/37/83/54/813378354.db2.gz LIWVVBWVOCECRE-UONOGXRCSA-N 2 1 326.441 -0.554 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001266032592 813442800 /nfs/dbraw/zinc/44/28/00/813442800.db2.gz ZWFZFCXXKLOELL-QAPCUYQASA-N 2 1 332.448 -0.340 20 30 EBEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001266320813 813527515 /nfs/dbraw/zinc/52/75/15/813527515.db2.gz GTZPNDBSAKXMPC-OAHLLOKOSA-N 2 1 333.436 -0.101 20 30 EBEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001266320813 813527516 /nfs/dbraw/zinc/52/75/16/813527516.db2.gz GTZPNDBSAKXMPC-OAHLLOKOSA-N 2 1 333.436 -0.101 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@H](O)Cn1cccn1 ZINC001266731271 813654959 /nfs/dbraw/zinc/65/49/59/813654959.db2.gz XKNJSNCIPFQFRX-HOTGVXAUSA-N 2 1 333.436 -0.610 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@H](O)Cn1cccn1 ZINC001266731271 813654963 /nfs/dbraw/zinc/65/49/63/813654963.db2.gz XKNJSNCIPFQFRX-HOTGVXAUSA-N 2 1 333.436 -0.610 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001267212114 813789533 /nfs/dbraw/zinc/78/95/33/813789533.db2.gz LCGPJRXMYSITQY-CHWSQXEVSA-N 2 1 339.440 -0.471 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001267212114 813789537 /nfs/dbraw/zinc/78/95/37/813789537.db2.gz LCGPJRXMYSITQY-CHWSQXEVSA-N 2 1 339.440 -0.471 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001267212114 813789542 /nfs/dbraw/zinc/78/95/42/813789542.db2.gz LCGPJRXMYSITQY-CHWSQXEVSA-N 2 1 339.440 -0.471 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001267212114 813789545 /nfs/dbraw/zinc/78/95/45/813789545.db2.gz LCGPJRXMYSITQY-CHWSQXEVSA-N 2 1 339.440 -0.471 20 30 EBEDMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CC[NH+](CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001267558587 813929419 /nfs/dbraw/zinc/92/94/19/813929419.db2.gz CAGBQAUPGDUEHR-RBSFLKMASA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)CC[NH+]1C ZINC001267558587 813929425 /nfs/dbraw/zinc/92/94/25/813929425.db2.gz CAGBQAUPGDUEHR-RBSFLKMASA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)CC[NH+]1C ZINC001267558587 813929432 /nfs/dbraw/zinc/92/94/32/813929432.db2.gz CAGBQAUPGDUEHR-RBSFLKMASA-N 2 1 335.452 -0.205 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC(=O)NC(=O)NC ZINC001267807346 814046933 /nfs/dbraw/zinc/04/69/33/814046933.db2.gz UUUKNLCPFLUELX-STQMWFEESA-N 2 1 337.424 -0.976 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC(=O)NC(=O)NC ZINC001267807346 814046942 /nfs/dbraw/zinc/04/69/42/814046942.db2.gz UUUKNLCPFLUELX-STQMWFEESA-N 2 1 337.424 -0.976 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C2CC2)CC[N@H+]1C ZINC001269071408 814516232 /nfs/dbraw/zinc/51/62/32/814516232.db2.gz IUOIXPWJJSKELC-RRFJBIMHSA-N 2 1 335.452 -0.159 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]2O)CC1 ZINC001084090407 815826660 /nfs/dbraw/zinc/82/66/60/815826660.db2.gz YSDJFMGLYRYBRW-JQHSSLGASA-N 2 1 349.475 -0.081 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001271854367 816230530 /nfs/dbraw/zinc/23/05/30/816230530.db2.gz SGWFWBABCCBKQC-BBWFWOEESA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001271854367 816230532 /nfs/dbraw/zinc/23/05/32/816230532.db2.gz SGWFWBABCCBKQC-BBWFWOEESA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001271854367 816230537 /nfs/dbraw/zinc/23/05/37/816230537.db2.gz SGWFWBABCCBKQC-BBWFWOEESA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001090272101 817213657 /nfs/dbraw/zinc/21/36/57/817213657.db2.gz MEOQJTOTDWBXDD-HOCLYGCPSA-N 2 1 333.436 -0.367 20 30 EBEDMP C#CCNC(=O)CNC1(CNC(=O)[C@H]2CCn3cncc3C2)CC1 ZINC001277094098 817519832 /nfs/dbraw/zinc/51/98/32/817519832.db2.gz LAQUTYGWTTXWSC-ZDUSSCGKSA-N 2 1 329.404 -0.567 20 30 EBEDMP COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001278154828 817711567 /nfs/dbraw/zinc/71/15/67/817711567.db2.gz ICRGKPNYEAXQOY-LSDHHAIUSA-N 2 1 334.420 -0.530 20 30 EBEDMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]([NH2+]CC(=O)NCC#N)C(C)(C)C2)C1 ZINC001278684887 817794037 /nfs/dbraw/zinc/79/40/37/817794037.db2.gz NOSDGTIOOMCCEA-KBPBESRZSA-N 2 1 335.452 -0.205 20 30 EBEDMP COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001278755001 817810350 /nfs/dbraw/zinc/81/03/50/817810350.db2.gz CPOYLABESQCVDB-JKSUJKDBSA-N 2 1 325.453 -0.082 20 30 EBEDMP COCC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001278873131 817878119 /nfs/dbraw/zinc/87/81/19/817878119.db2.gz AQNXQCGALSOLEZ-JKSUJKDBSA-N 2 1 325.453 -0.271 20 30 EBEDMP COCC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001278873131 817878124 /nfs/dbraw/zinc/87/81/24/817878124.db2.gz AQNXQCGALSOLEZ-JKSUJKDBSA-N 2 1 325.453 -0.271 20 30 EBEDMP COCC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001278873131 817878131 /nfs/dbraw/zinc/87/81/31/817878131.db2.gz AQNXQCGALSOLEZ-JKSUJKDBSA-N 2 1 325.453 -0.271 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@H]2C1 ZINC001279363020 817919664 /nfs/dbraw/zinc/91/96/64/817919664.db2.gz OQCNNXIMLJUWIH-VVLHAWIVSA-N 2 1 346.475 -0.144 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@H]2C1 ZINC001279363020 817919667 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/nfs/dbraw/zinc/07/03/26/818070326.db2.gz XFKXALAIILHYKV-KRWDZBQOSA-N 2 1 338.452 -0.979 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1(NC(=O)Cn2c[nH+]cc2C)CCOCC1 ZINC001281254515 818102393 /nfs/dbraw/zinc/10/23/93/818102393.db2.gz HHUAXJLAZREAOH-UHFFFAOYSA-N 2 1 347.419 -0.804 20 30 EBEDMP C#CCCN1CC(N2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC001094808171 818498472 /nfs/dbraw/zinc/49/84/72/818498472.db2.gz IENLZYBCPYFSOS-LSDHHAIUSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCC[NH+]1CC(N2C[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2=O)C1 ZINC001094808171 818498478 /nfs/dbraw/zinc/49/84/78/818498478.db2.gz IENLZYBCPYFSOS-LSDHHAIUSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCC[NH+]1CC(N2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC001094808171 818498483 /nfs/dbraw/zinc/49/84/83/818498483.db2.gz IENLZYBCPYFSOS-LSDHHAIUSA-N 2 1 332.448 -0.247 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N(C)[C@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001283520072 818837863 /nfs/dbraw/zinc/83/78/63/818837863.db2.gz FWFQWMPIJUMHSQ-CQSZACIVSA-N 2 1 332.408 -0.342 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C(C)(C)C1 ZINC001284310245 819178708 /nfs/dbraw/zinc/17/87/08/819178708.db2.gz PBOUBGZFNUHANA-CYBMUJFWSA-N 2 1 332.408 -0.342 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001284436224 819231738 /nfs/dbraw/zinc/23/17/38/819231738.db2.gz QVVIPYQUOXHWPD-KBPBESRZSA-N 2 1 326.441 -0.818 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC#CCOC)C[C@H]2O)CC1 ZINC001100122253 820251838 /nfs/dbraw/zinc/25/18/38/820251838.db2.gz ORJRTDCTHIZDIG-QZTJIDSGSA-N 2 1 347.459 -0.467 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC#CCOC)C[C@H]2O)CC1 ZINC001100122253 820251841 /nfs/dbraw/zinc/25/18/41/820251841.db2.gz ORJRTDCTHIZDIG-QZTJIDSGSA-N 2 1 347.459 -0.467 20 30 EBEDMP N#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001100405875 820405986 /nfs/dbraw/zinc/40/59/86/820405986.db2.gz QNQWELXNVMOHQR-RUXDESIVSA-N 2 1 344.419 -0.115 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NC2CC2)C1 ZINC001100415410 820410316 /nfs/dbraw/zinc/41/03/16/820410316.db2.gz PIFHRAKXMJZQRU-BCLQGDPASA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NC2CC2)C1 ZINC001100415410 820410321 /nfs/dbraw/zinc/41/03/21/820410321.db2.gz PIFHRAKXMJZQRU-BCLQGDPASA-N 2 1 332.448 -0.153 20 30 EBEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001101006417 820646928 /nfs/dbraw/zinc/64/69/28/820646928.db2.gz JCHLUKQIWPEBOW-NRXISQOPSA-N 2 1 338.452 -0.506 20 30 EBEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001101006417 820646933 /nfs/dbraw/zinc/64/69/33/820646933.db2.gz JCHLUKQIWPEBOW-NRXISQOPSA-N 2 1 338.452 -0.506 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101353145 820764303 /nfs/dbraw/zinc/76/43/03/820764303.db2.gz URWSSTZSHQXUQW-DAYGRLMNSA-N 2 1 334.464 -0.144 20 30 EBEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844169 820933773 /nfs/dbraw/zinc/93/37/73/820933773.db2.gz OBHLIYZRENVZJM-RBSFLKMASA-N 2 1 338.452 -0.697 20 30 EBEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844169 820933777 /nfs/dbraw/zinc/93/37/77/820933777.db2.gz OBHLIYZRENVZJM-RBSFLKMASA-N 2 1 338.452 -0.697 20 30 EBEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001101844169 820933782 /nfs/dbraw/zinc/93/37/82/820933782.db2.gz OBHLIYZRENVZJM-RBSFLKMASA-N 2 1 338.452 -0.697 20 30 EBEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001101844169 820933786 /nfs/dbraw/zinc/93/37/86/820933786.db2.gz OBHLIYZRENVZJM-RBSFLKMASA-N 2 1 338.452 -0.697 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982931 820984271 /nfs/dbraw/zinc/98/42/71/820984271.db2.gz SJLJWZNTAOTOCS-KLHDSHLOSA-N 2 1 334.464 -0.240 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982931 820984279 /nfs/dbraw/zinc/98/42/79/820984279.db2.gz SJLJWZNTAOTOCS-KLHDSHLOSA-N 2 1 334.464 -0.240 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982931 820984283 /nfs/dbraw/zinc/98/42/83/820984283.db2.gz SJLJWZNTAOTOCS-KLHDSHLOSA-N 2 1 334.464 -0.240 20 30 EBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102286903 821059123 /nfs/dbraw/zinc/05/91/23/821059123.db2.gz CGKIPFISPYVKON-ZIAGYGMSSA-N 2 1 335.452 -0.348 20 30 EBEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001105244277 821643326 /nfs/dbraw/zinc/64/33/26/821643326.db2.gz UOAQSCZUGFVYNB-GOEBONIOSA-N 2 1 346.435 -0.200 20 30 EBEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001105244277 821643332 /nfs/dbraw/zinc/64/33/32/821643332.db2.gz UOAQSCZUGFVYNB-GOEBONIOSA-N 2 1 346.435 -0.200 20 30 EBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001316668337 821827045 /nfs/dbraw/zinc/82/70/45/821827045.db2.gz FJUVAEWGVJTENN-GVDBMIGSSA-N 2 1 345.447 -0.342 20 30 EBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001316668337 821827055 /nfs/dbraw/zinc/82/70/55/821827055.db2.gz FJUVAEWGVJTENN-GVDBMIGSSA-N 2 1 345.447 -0.342 20 30 EBEDMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC23CC[NH+](CC(=O)NCC#N)CC3)C1 ZINC001317007747 821972032 /nfs/dbraw/zinc/97/20/32/821972032.db2.gz QHAMBBQASPUKPJ-HUUCEWRRSA-N 2 1 347.463 -0.061 20 30 EBEDMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CC23CC[NH+](CC(=O)NCC#N)CC3)C1 ZINC001317007747 821972038 /nfs/dbraw/zinc/97/20/38/821972038.db2.gz QHAMBBQASPUKPJ-HUUCEWRRSA-N 2 1 347.463 -0.061 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001317213296 822038068 /nfs/dbraw/zinc/03/80/68/822038068.db2.gz WBIOGQNTOBKEGS-ZNFSNMQZSA-N 2 1 344.459 -0.201 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001317213296 822038079 /nfs/dbraw/zinc/03/80/79/822038079.db2.gz WBIOGQNTOBKEGS-ZNFSNMQZSA-N 2 1 344.459 -0.201 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001317213296 822038089 /nfs/dbraw/zinc/03/80/89/822038089.db2.gz WBIOGQNTOBKEGS-ZNFSNMQZSA-N 2 1 344.459 -0.201 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001317213296 822038098 /nfs/dbraw/zinc/03/80/98/822038098.db2.gz WBIOGQNTOBKEGS-ZNFSNMQZSA-N 2 1 344.459 -0.201 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NC(=O)NCC=C ZINC001317254160 822050815 /nfs/dbraw/zinc/05/08/15/822050815.db2.gz HGICQXOIJRTXLO-KBPBESRZSA-N 2 1 349.435 -0.810 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NC(=O)NCC=C ZINC001317254160 822050823 /nfs/dbraw/zinc/05/08/23/822050823.db2.gz HGICQXOIJRTXLO-KBPBESRZSA-N 2 1 349.435 -0.810 20 30 EBEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)NCC#N)C2 ZINC001317407092 822101866 /nfs/dbraw/zinc/10/18/66/822101866.db2.gz VTSJEORQYUNPAS-JSGCOSHPSA-N 2 1 346.435 -0.122 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2ccnc2)C1 ZINC001317536306 822150347 /nfs/dbraw/zinc/15/03/47/822150347.db2.gz NCAJQTSKIWXZNX-ZDUSSCGKSA-N 2 1 348.407 -0.667 20 30 EBEDMP C=CCNC(=O)NC(=O)CN1CC[C@@H](CNC(=O)Cn2ccnc2)C1 ZINC001317536306 822150352 /nfs/dbraw/zinc/15/03/52/822150352.db2.gz NCAJQTSKIWXZNX-ZDUSSCGKSA-N 2 1 348.407 -0.667 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129363489 828604679 /nfs/dbraw/zinc/60/46/79/828604679.db2.gz HUQVJJYXVCPZQA-OAHLLOKOSA-N 2 1 336.436 -0.915 20 30 EBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1=O ZINC001129386923 828611377 /nfs/dbraw/zinc/61/13/77/828611377.db2.gz QUJHBEQHPWYBHB-GJZGRUSLSA-N 2 1 348.451 -0.694 20 30 EBEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001114057205 826125139 /nfs/dbraw/zinc/12/51/39/826125139.db2.gz JWVKTIGSFYRNPT-QSJFSLAZSA-N 2 1 347.463 -0.111 20 30 EBEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001114057205 826125143 /nfs/dbraw/zinc/12/51/43/826125143.db2.gz JWVKTIGSFYRNPT-QSJFSLAZSA-N 2 1 347.463 -0.111 20 30 EBEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001114057205 826125150 /nfs/dbraw/zinc/12/51/50/826125150.db2.gz JWVKTIGSFYRNPT-QSJFSLAZSA-N 2 1 347.463 -0.111 20 30 EBEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC001114057205 826125153 /nfs/dbraw/zinc/12/51/53/826125153.db2.gz JWVKTIGSFYRNPT-QSJFSLAZSA-N 2 1 347.463 -0.111 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C[NH+](CC)CC ZINC001114353322 826211463 /nfs/dbraw/zinc/21/14/63/826211463.db2.gz PZKGNXWUAYCTJP-CTASWTNQSA-N 2 1 338.427 -0.538 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C[NH+](CC)CC ZINC001114353322 826211466 /nfs/dbraw/zinc/21/14/66/826211466.db2.gz PZKGNXWUAYCTJP-CTASWTNQSA-N 2 1 338.427 -0.538 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC001114456668 826255682 /nfs/dbraw/zinc/25/56/82/826255682.db2.gz YMDWHEHVTWYCMB-FOLVSLTJSA-N 2 1 345.447 -0.451 20 30 EBEDMP N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC001114456668 826255686 /nfs/dbraw/zinc/25/56/86/826255686.db2.gz YMDWHEHVTWYCMB-FOLVSLTJSA-N 2 1 345.447 -0.451 20 30 EBEDMP CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21)[NH+]1CCCC1 ZINC001114663336 826314659 /nfs/dbraw/zinc/31/46/59/826314659.db2.gz UEELHBFSJHYEHA-NHAGDIPZSA-N 2 1 333.436 -0.453 20 30 EBEDMP CC(C)(C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21)[NH+]1CCCC1 ZINC001114663336 826314664 /nfs/dbraw/zinc/31/46/64/826314664.db2.gz UEELHBFSJHYEHA-NHAGDIPZSA-N 2 1 333.436 -0.453 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001114723827 826324326 /nfs/dbraw/zinc/32/43/26/826324326.db2.gz AEABENOLPHBDTL-LISAXSMJSA-N 2 1 346.475 -0.096 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001114723827 826324331 /nfs/dbraw/zinc/32/43/31/826324331.db2.gz AEABENOLPHBDTL-LISAXSMJSA-N 2 1 346.475 -0.096 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001114723827 826324337 /nfs/dbraw/zinc/32/43/37/826324337.db2.gz AEABENOLPHBDTL-LISAXSMJSA-N 2 1 346.475 -0.096 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001114723827 826324344 /nfs/dbraw/zinc/32/43/44/826324344.db2.gz AEABENOLPHBDTL-LISAXSMJSA-N 2 1 346.475 -0.096 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114741918 826330920 /nfs/dbraw/zinc/33/09/20/826330920.db2.gz YIJZDTPOVKGKNG-BYNSBNAKSA-N 2 1 332.448 -0.488 20 30 EBEDMP C[N@H+](CC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21)CC(C)(C)C ZINC001114841033 826352991 /nfs/dbraw/zinc/35/29/91/826352991.db2.gz QLOOBNFFBRUIDS-VIKVFOODSA-N 2 1 335.452 -0.350 20 30 EBEDMP C[N@@H+](CC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21)CC(C)(C)C ZINC001114841033 826352996 /nfs/dbraw/zinc/35/29/96/826352996.db2.gz QLOOBNFFBRUIDS-VIKVFOODSA-N 2 1 335.452 -0.350 20 30 EBEDMP C[NH+](CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21)CC(C)(C)C ZINC001114841033 826353001 /nfs/dbraw/zinc/35/30/01/826353001.db2.gz QLOOBNFFBRUIDS-VIKVFOODSA-N 2 1 335.452 -0.350 20 30 EBEDMP C[NH+](CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21)CC(C)(C)C ZINC001114841033 826353004 /nfs/dbraw/zinc/35/30/04/826353004.db2.gz QLOOBNFFBRUIDS-VIKVFOODSA-N 2 1 335.452 -0.350 20 30 EBEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125221175 828082764 /nfs/dbraw/zinc/08/27/64/828082764.db2.gz OAGKFDVAXPUXRE-AWEZNQCLSA-N 2 1 326.441 -0.553 20 30 EBEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125221175 828082770 /nfs/dbraw/zinc/08/27/70/828082770.db2.gz OAGKFDVAXPUXRE-AWEZNQCLSA-N 2 1 326.441 -0.553 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001211098895 837386678 /nfs/dbraw/zinc/38/66/78/837386678.db2.gz VCZIFEFDEVBIHX-DZGCQCFKSA-N 2 1 331.420 -0.090 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131387460 829125111 /nfs/dbraw/zinc/12/51/11/829125111.db2.gz QAUUPHYHFMVAFL-LBPRGKRZSA-N 2 1 336.396 -0.702 20 30 EBEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001131393074 829130228 /nfs/dbraw/zinc/13/02/28/829130228.db2.gz LKIUXXKTAPAPSE-UHFFFAOYSA-N 2 1 340.468 -0.209 20 30 EBEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)C2 ZINC001185669527 833366342 /nfs/dbraw/zinc/36/63/42/833366342.db2.gz SONLEIRCEQAJSQ-UONOGXRCSA-N 2 1 344.419 -0.416 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001211098908 837386848 /nfs/dbraw/zinc/38/68/48/837386848.db2.gz VCZIFEFDEVBIHX-ZFWWWQNUSA-N 2 1 331.420 -0.090 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001133001327 829572112 /nfs/dbraw/zinc/57/21/12/829572112.db2.gz XWQVCJXYNWEFBX-JSGCOSHPSA-N 2 1 331.420 -0.402 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133894203 829695398 /nfs/dbraw/zinc/69/53/98/829695398.db2.gz XJCNTJIOISUQFU-UHFFFAOYSA-N 2 1 339.440 -0.564 20 30 EBEDMP C[N@@H+](CCc1ccccc1)CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001133917823 829699006 /nfs/dbraw/zinc/69/90/06/829699006.db2.gz GPWXPNZARYTLPF-UHFFFAOYSA-N 2 1 331.420 -0.494 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001147788003 830413182 /nfs/dbraw/zinc/41/31/82/830413182.db2.gz QVSVCDLOLYASCA-HNNXBMFYSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001147788003 830413184 /nfs/dbraw/zinc/41/31/84/830413184.db2.gz QVSVCDLOLYASCA-HNNXBMFYSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001147788003 830413187 /nfs/dbraw/zinc/41/31/87/830413187.db2.gz QVSVCDLOLYASCA-HNNXBMFYSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001147788003 830413189 /nfs/dbraw/zinc/41/31/89/830413189.db2.gz QVSVCDLOLYASCA-HNNXBMFYSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001153324529 831224718 /nfs/dbraw/zinc/22/47/18/831224718.db2.gz LVUMFXKJMMGPPF-OAHLLOKOSA-N 2 1 330.432 -0.038 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001153324529 831224723 /nfs/dbraw/zinc/22/47/23/831224723.db2.gz LVUMFXKJMMGPPF-OAHLLOKOSA-N 2 1 330.432 -0.038 20 30 EBEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001153381953 831231492 /nfs/dbraw/zinc/23/14/92/831231492.db2.gz PBRQCMMZEAFTGS-ZBFHGGJFSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001153381953 831231500 /nfs/dbraw/zinc/23/15/00/831231500.db2.gz PBRQCMMZEAFTGS-ZBFHGGJFSA-N 2 1 334.464 -0.096 20 30 EBEDMP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156126412 831456424 /nfs/dbraw/zinc/45/64/24/831456424.db2.gz YKDLWOOZJYPZRS-HNNXBMFYSA-N 2 1 338.452 -0.387 20 30 EBEDMP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156126412 831456425 /nfs/dbraw/zinc/45/64/25/831456425.db2.gz YKDLWOOZJYPZRS-HNNXBMFYSA-N 2 1 338.452 -0.387 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001159917583 831796866 /nfs/dbraw/zinc/79/68/66/831796866.db2.gz ZZOCSMBQUABHNY-UONOGXRCSA-N 2 1 331.420 -0.006 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC001160209533 831825290 /nfs/dbraw/zinc/82/52/90/831825290.db2.gz PGFMBOVEXUBJDQ-CABCVRRESA-N 2 1 343.493 -0.139 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC001160209533 831825295 /nfs/dbraw/zinc/82/52/95/831825295.db2.gz PGFMBOVEXUBJDQ-CABCVRRESA-N 2 1 343.493 -0.139 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCNC(=O)NC(C)C ZINC001160209268 831825572 /nfs/dbraw/zinc/82/55/72/831825572.db2.gz GEZSSNFMLDXWCY-HNNXBMFYSA-N 2 1 337.468 -0.113 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCNC(=O)NC(C)C ZINC001160209268 831825577 /nfs/dbraw/zinc/82/55/77/831825577.db2.gz GEZSSNFMLDXWCY-HNNXBMFYSA-N 2 1 337.468 -0.113 20 30 EBEDMP C[N@@H+]1CC[C@H](C(=O)NCCC2=CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001161856789 831997158 /nfs/dbraw/zinc/99/71/58/831997158.db2.gz GAXGRRGSBUTWID-HNNXBMFYSA-N 2 1 333.436 -0.284 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)NCCC2=CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001161856789 831997164 /nfs/dbraw/zinc/99/71/64/831997164.db2.gz GAXGRRGSBUTWID-HNNXBMFYSA-N 2 1 333.436 -0.284 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)NCCC2=CC[N@H+](CC(=O)NCC#N)CC2)C1 ZINC001161856789 831997168 /nfs/dbraw/zinc/99/71/68/831997168.db2.gz GAXGRRGSBUTWID-HNNXBMFYSA-N 2 1 333.436 -0.284 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)NCCC2=CC[N@@H+](CC(=O)NCC#N)CC2)C1 ZINC001161856789 831997175 /nfs/dbraw/zinc/99/71/75/831997175.db2.gz GAXGRRGSBUTWID-HNNXBMFYSA-N 2 1 333.436 -0.284 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(COC)CC[NH+](CCO)CC1 ZINC001162306649 832032791 /nfs/dbraw/zinc/03/27/91/832032791.db2.gz RQYUBDUFDPJFKJ-INIZCTEOSA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(COC)CC[NH+](CCO)CC1 ZINC001162306649 832032797 /nfs/dbraw/zinc/03/27/97/832032797.db2.gz RQYUBDUFDPJFKJ-INIZCTEOSA-N 2 1 337.464 -0.079 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166633123 832274848 /nfs/dbraw/zinc/27/48/48/832274848.db2.gz ADZDAVTWJBPELT-ZDUSSCGKSA-N 2 1 339.440 -0.422 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166667625 832277839 /nfs/dbraw/zinc/27/78/39/832277839.db2.gz FMIOPUMUYWIVEM-CYBMUJFWSA-N 2 1 339.440 -0.564 20 30 EBEDMP C#CCCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001353134939 832407319 /nfs/dbraw/zinc/40/73/19/832407319.db2.gz PRYVNVDXENGCBZ-IYBDPMFKSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CCCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 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C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943692 835882074 /nfs/dbraw/zinc/88/20/74/835882074.db2.gz OYDSCXORYOHTTM-UKRRQHHQSA-N 2 1 336.436 -0.965 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001201632245 836170010 /nfs/dbraw/zinc/17/00/10/836170010.db2.gz TUEGWMPCRSJURL-AWEZNQCLSA-N 2 1 331.420 -0.090 20 30 EBEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1 ZINC001206281352 836635884 /nfs/dbraw/zinc/63/58/84/836635884.db2.gz JPNSLJVRGIKXTB-ZFWWWQNUSA-N 2 1 335.452 -0.348 20 30 EBEDMP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001208036539 836928680 /nfs/dbraw/zinc/92/86/80/836928680.db2.gz OTIOZXFSNSHGHW-QCZOYZIOSA-N 2 1 347.459 -0.064 20 30 EBEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001208036539 836928687 /nfs/dbraw/zinc/92/86/87/836928687.db2.gz OTIOZXFSNSHGHW-QCZOYZIOSA-N 2 1 347.459 -0.064 20 30 EBEDMP 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COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001208036538 836929277 /nfs/dbraw/zinc/92/92/77/836929277.db2.gz OTIOZXFSNSHGHW-LDBBTLTOSA-N 2 1 347.459 -0.064 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCN1C(=O)CCC1=O ZINC001319473962 838134617 /nfs/dbraw/zinc/13/46/17/838134617.db2.gz WINMHLSZDHYUBN-CABCVRRESA-N 2 1 348.447 -0.331 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCN1C(=O)CCC1=O ZINC001319473962 838134625 /nfs/dbraw/zinc/13/46/25/838134625.db2.gz WINMHLSZDHYUBN-CABCVRRESA-N 2 1 348.447 -0.331 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+][C@H](C)c2ncccn2)CC1 ZINC001320316190 838756326 /nfs/dbraw/zinc/75/63/26/838756326.db2.gz LLMZLOQSZWIKCN-GDBMZVCRSA-N 2 1 345.447 -0.051 20 30 EBEDMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@](C)(C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001324813496 839718597 /nfs/dbraw/zinc/71/85/97/839718597.db2.gz OAOBPUXVOPTXFB-RHSMWYFYSA-N 2 1 335.452 -0.204 20 30 EBEDMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@](C)(C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001324813495 839718647 /nfs/dbraw/zinc/71/86/47/839718647.db2.gz OAOBPUXVOPTXFB-PBHICJAKSA-N 2 1 335.452 -0.204 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001330318200 841162290 /nfs/dbraw/zinc/16/22/90/841162290.db2.gz KKWMKGYVHMJLHZ-PHZGNYQRSA-N 2 1 346.475 -0.096 20 30 EBEDMP C#CCNC(=O)CN1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC001332115436 841576925 /nfs/dbraw/zinc/57/69/25/841576925.db2.gz DBAOYWLGYFHELD-RVKKMQEKSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC001332115436 841576932 /nfs/dbraw/zinc/57/69/32/841576932.db2.gz DBAOYWLGYFHELD-RVKKMQEKSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC001332115436 841576937 /nfs/dbraw/zinc/57/69/37/841576937.db2.gz DBAOYWLGYFHELD-RVKKMQEKSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC001332115436 841576946 /nfs/dbraw/zinc/57/69/46/841576946.db2.gz DBAOYWLGYFHELD-RVKKMQEKSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC001332115436 841576949 /nfs/dbraw/zinc/57/69/49/841576949.db2.gz DBAOYWLGYFHELD-RVKKMQEKSA-N 2 1 332.448 -0.199 20 30 EBEDMP c1ncn(CCNC(NCCC[NH+]2CCOCC2)=[NH+]CC2CC2)n1 ZINC001335283134 842250363 /nfs/dbraw/zinc/25/03/63/842250363.db2.gz AGVIHAXLMRHTKY-UHFFFAOYSA-N 2 1 335.456 -0.054 20 30 EBEDMP C=C(C)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001691414707 1125858068 /nfs/dbraw/zinc/85/80/68/1125858068.db2.gz BUADEEQPLGRVHO-ZDUSSCGKSA-N 2 1 335.408 -0.205 20 30 EBEDMP C=C(C)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001691414707 1125858069 /nfs/dbraw/zinc/85/80/69/1125858069.db2.gz BUADEEQPLGRVHO-ZDUSSCGKSA-N 2 1 335.408 -0.205 20 30 EBEDMP C=CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)Cn2cc[nH+]c2C)C1=O ZINC001482793486 1126292735 /nfs/dbraw/zinc/29/27/35/1126292735.db2.gz PYSYAYSEESVKCS-KGLIPLIRSA-N 2 1 335.408 -0.955 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001691570735 1126321955 /nfs/dbraw/zinc/32/19/55/1126321955.db2.gz QKQUGXODWXAGMZ-SJORKVTESA-N 2 1 346.475 -0.142 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001485648813 1126776946 /nfs/dbraw/zinc/77/69/46/1126776946.db2.gz CESZEXBCQBPDFO-GJZGRUSLSA-N 2 1 338.452 -0.719 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)C)C[C@@]2(C)C1 ZINC001485668736 1126794040 /nfs/dbraw/zinc/79/40/40/1126794040.db2.gz DLOFYNOKYGCMBM-HDICACEKSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC001485783874 1126837633 /nfs/dbraw/zinc/83/76/33/1126837633.db2.gz WAAOAHIZBCKPRF-HUUCEWRRSA-N 2 1 338.452 -0.813 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC001485783874 1126837638 /nfs/dbraw/zinc/83/76/38/1126837638.db2.gz WAAOAHIZBCKPRF-HUUCEWRRSA-N 2 1 338.452 -0.813 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]Cc2ocnc2C)CC1 ZINC001486065707 1127015126 /nfs/dbraw/zinc/01/51/26/1127015126.db2.gz IZRUVINJNJYYHF-OAHLLOKOSA-N 2 1 334.420 -0.105 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC001486159290 1127051900 /nfs/dbraw/zinc/05/19/00/1127051900.db2.gz FRCPKQOAXGEJIC-KBXCAEBGSA-N 2 1 345.447 -0.165 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC001486159290 1127051902 /nfs/dbraw/zinc/05/19/02/1127051902.db2.gz FRCPKQOAXGEJIC-KBXCAEBGSA-N 2 1 345.447 -0.165 20 30 EBEDMP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001486441603 1127177894 /nfs/dbraw/zinc/17/78/94/1127177894.db2.gz ORSVMUXFLKUHRE-HIFRSBDPSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001486441603 1127177895 /nfs/dbraw/zinc/17/78/95/1127177895.db2.gz ORSVMUXFLKUHRE-HIFRSBDPSA-N 2 1 335.452 -0.205 20 30 EBEDMP CN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001490413067 1129177069 /nfs/dbraw/zinc/17/70/69/1129177069.db2.gz RQQXWOSYKBUWMS-UHFFFAOYSA-N 2 1 335.452 -0.109 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCN(C)S(C)(=O)=O ZINC001491486436 1130466594 /nfs/dbraw/zinc/46/65/94/1130466594.db2.gz IJUOUBBNKBTVOO-KBPBESRZSA-N 2 1 344.481 -0.930 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCN(C)S(C)(=O)=O ZINC001491486436 1130466598 /nfs/dbraw/zinc/46/65/98/1130466598.db2.gz IJUOUBBNKBTVOO-KBPBESRZSA-N 2 1 344.481 -0.930 20 30 EBEDMP C#CC[N@@H+](C)CCCNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000491732275 379621686 /nfs/dbraw/zinc/62/16/86/379621686.db2.gz HKQOMXWOAWCEMX-OAHLLOKOSA-N 2 1 337.468 -0.172 20 30 EBEDMP C#CC[NH+](C)CCCNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000491732275 379621694 /nfs/dbraw/zinc/62/16/94/379621694.db2.gz HKQOMXWOAWCEMX-OAHLLOKOSA-N 2 1 337.468 -0.172 20 30 EBEDMP 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3 1 340.516 -0.361 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000937756570 651906448 /nfs/dbraw/zinc/90/64/48/651906448.db2.gz QLDUAZPTJHEJAU-XHSDSOJGSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000937756570 651906450 /nfs/dbraw/zinc/90/64/50/651906450.db2.gz QLDUAZPTJHEJAU-XHSDSOJGSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000937756570 651906452 /nfs/dbraw/zinc/90/64/52/651906452.db2.gz QLDUAZPTJHEJAU-XHSDSOJGSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000937756570 651906454 /nfs/dbraw/zinc/90/64/54/651906454.db2.gz QLDUAZPTJHEJAU-XHSDSOJGSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000937984068 652025757 /nfs/dbraw/zinc/02/57/57/652025757.db2.gz LWFCVUUICBIBOQ-HOTGVXAUSA-N 2 1 332.448 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000937984068 652025761 /nfs/dbraw/zinc/02/57/61/652025761.db2.gz LWFCVUUICBIBOQ-HOTGVXAUSA-N 2 1 332.448 -0.103 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000941237518 653461278 /nfs/dbraw/zinc/46/12/78/653461278.db2.gz BMXHLRHGJHZOGA-PMPSAXMXSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000941237518 653461280 /nfs/dbraw/zinc/46/12/80/653461280.db2.gz BMXHLRHGJHZOGA-PMPSAXMXSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000941237518 653461283 /nfs/dbraw/zinc/46/12/83/653461283.db2.gz BMXHLRHGJHZOGA-PMPSAXMXSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000941237518 653461285 /nfs/dbraw/zinc/46/12/85/653461285.db2.gz BMXHLRHGJHZOGA-PMPSAXMXSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C[NH+]1CCCC1 ZINC000950755355 654247675 /nfs/dbraw/zinc/24/76/75/654247675.db2.gz KBWRHZYHWVHKAQ-CVEARBPZSA-N 2 1 332.448 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C[NH+]1CCCC1 ZINC000950755355 654247676 /nfs/dbraw/zinc/24/76/76/654247676.db2.gz KBWRHZYHWVHKAQ-CVEARBPZSA-N 2 1 332.448 -0.103 20 30 EBEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](O)C1 ZINC000958077193 722301682 /nfs/dbraw/zinc/30/16/82/722301682.db2.gz RHYLRLXITVDJHO-GDBMZVCRSA-N 2 1 333.436 -0.510 20 30 EBEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000958468487 722371672 /nfs/dbraw/zinc/37/16/72/722371672.db2.gz YKTHISCVORQICN-HOCLYGCPSA-N 2 1 333.436 -0.510 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001018985732 728763815 /nfs/dbraw/zinc/76/38/15/728763815.db2.gz BUCLWKPHCXITQN-JYJNAYRXSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1 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C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000995083532 726158863 /nfs/dbraw/zinc/15/88/63/726158863.db2.gz ABHVYZPDAFLNHF-HOTGVXAUSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000995083532 726158864 /nfs/dbraw/zinc/15/88/64/726158864.db2.gz ABHVYZPDAFLNHF-HOTGVXAUSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000995083532 726158865 /nfs/dbraw/zinc/15/88/65/726158865.db2.gz ABHVYZPDAFLNHF-HOTGVXAUSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC000996045680 726325779 /nfs/dbraw/zinc/32/57/79/726325779.db2.gz LIXMWENZQWMBIS-UHFFFAOYSA-N 2 1 343.431 -0.136 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001002825297 726649066 /nfs/dbraw/zinc/64/90/66/726649066.db2.gz AWAXRFWFGYAMJR-INIZCTEOSA-N 2 1 344.459 -0.246 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001002825297 726649067 /nfs/dbraw/zinc/64/90/67/726649067.db2.gz AWAXRFWFGYAMJR-INIZCTEOSA-N 2 1 344.459 -0.246 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)c3nnnn3C)C2)CC1 ZINC001021089976 729281796 /nfs/dbraw/zinc/28/17/96/729281796.db2.gz KERQSGFEZYQAEB-BPLDGKMQSA-N 2 1 345.451 -0.147 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001022221066 729468485 /nfs/dbraw/zinc/46/84/85/729468485.db2.gz WOFGFKDYFYEQML-ZNMIVQPWSA-N 2 1 333.436 -0.654 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001022221066 729468487 /nfs/dbraw/zinc/46/84/87/729468487.db2.gz WOFGFKDYFYEQML-ZNMIVQPWSA-N 2 1 333.436 -0.654 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)CC1 ZINC001023128414 729614765 /nfs/dbraw/zinc/61/47/65/729614765.db2.gz DOGBDRHZKBRNPD-OKILXGFUSA-N 2 1 331.424 -0.708 20 30 EBEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001026145743 730125116 /nfs/dbraw/zinc/12/51/16/730125116.db2.gz CIDWOHBXMYRKTE-AALSBFMBSA-N 2 1 332.448 -0.229 20 30 EBEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001026145743 730125117 /nfs/dbraw/zinc/12/51/17/730125117.db2.gz CIDWOHBXMYRKTE-AALSBFMBSA-N 2 1 332.448 -0.229 20 30 EBEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001026145743 730125118 /nfs/dbraw/zinc/12/51/18/730125118.db2.gz CIDWOHBXMYRKTE-AALSBFMBSA-N 2 1 332.448 -0.229 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001028602090 730320433 /nfs/dbraw/zinc/32/04/33/730320433.db2.gz WWTCFOLNCKZIBN-CVEARBPZSA-N 2 1 347.463 -0.453 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001028602090 730320435 /nfs/dbraw/zinc/32/04/35/730320435.db2.gz WWTCFOLNCKZIBN-CVEARBPZSA-N 2 1 347.463 -0.453 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCN2CCNC2=O)C1 ZINC001028602090 730320439 /nfs/dbraw/zinc/32/04/39/730320439.db2.gz WWTCFOLNCKZIBN-CVEARBPZSA-N 2 1 347.463 -0.453 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCN2CCNC2=O)C1 ZINC001028602090 730320443 /nfs/dbraw/zinc/32/04/43/730320443.db2.gz WWTCFOLNCKZIBN-CVEARBPZSA-N 2 1 347.463 -0.453 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001029003590 730382813 /nfs/dbraw/zinc/38/28/13/730382813.db2.gz NXXLHVWSNXLZQA-HOCLYGCPSA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)CC1 ZINC001042368401 732418947 /nfs/dbraw/zinc/41/89/47/732418947.db2.gz QCFLXTOZFZDJPQ-HOCLYGCPSA-N 2 1 332.448 -0.260 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CC(N)=O)[C@H]3C2)CC1 ZINC001042368401 732418951 /nfs/dbraw/zinc/41/89/51/732418951.db2.gz QCFLXTOZFZDJPQ-HOCLYGCPSA-N 2 1 332.448 -0.260 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]Cc2nnnn2C)CC1 ZINC001045321340 733668270 /nfs/dbraw/zinc/66/82/70/733668270.db2.gz MDUJHAXXEMHARB-HNNXBMFYSA-N 2 1 345.451 -0.364 20 30 EBEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC001046070752 733845419 /nfs/dbraw/zinc/84/54/19/733845419.db2.gz BHRCNQSNSPBCMC-QGZVFWFLSA-N 2 1 334.464 -0.440 20 30 EBEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC001046070752 733845424 /nfs/dbraw/zinc/84/54/24/733845424.db2.gz BHRCNQSNSPBCMC-QGZVFWFLSA-N 2 1 334.464 -0.440 20 30 EBEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC001046084635 733857479 /nfs/dbraw/zinc/85/74/79/733857479.db2.gz AONRZLYQIHKXGX-QZTJIDSGSA-N 2 1 348.491 -0.051 20 30 EBEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC001046084635 733857483 /nfs/dbraw/zinc/85/74/83/733857483.db2.gz AONRZLYQIHKXGX-QZTJIDSGSA-N 2 1 348.491 -0.051 20 30 EBEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC2)C1 ZINC001046084635 733857486 /nfs/dbraw/zinc/85/74/86/733857486.db2.gz AONRZLYQIHKXGX-QZTJIDSGSA-N 2 1 348.491 -0.051 20 30 EBEDMP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC2)C1 ZINC001046084635 733857489 /nfs/dbraw/zinc/85/74/89/733857489.db2.gz AONRZLYQIHKXGX-QZTJIDSGSA-N 2 1 348.491 -0.051 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]2C1 ZINC001048869616 734546963 /nfs/dbraw/zinc/54/69/63/734546963.db2.gz AYIOTCFYWRBHIG-NXOAAHMSSA-N 2 1 346.475 -0.049 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]2C1 ZINC001048869616 734546969 /nfs/dbraw/zinc/54/69/69/734546969.db2.gz AYIOTCFYWRBHIG-NXOAAHMSSA-N 2 1 346.475 -0.049 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@@H](C)C(=O)N(C)C)C[C@@H]2C1 ZINC001048869616 734546977 /nfs/dbraw/zinc/54/69/77/734546977.db2.gz AYIOTCFYWRBHIG-NXOAAHMSSA-N 2 1 346.475 -0.049 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@@H](C)C(=O)N(C)C)C[C@@H]2C1 ZINC001048869616 734546980 /nfs/dbraw/zinc/54/69/80/734546980.db2.gz AYIOTCFYWRBHIG-NXOAAHMSSA-N 2 1 346.475 -0.049 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048870150 734547473 /nfs/dbraw/zinc/54/74/73/734547473.db2.gz QFLKLVNLCVAHQX-TWMKSMIVSA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048870150 734547475 /nfs/dbraw/zinc/54/74/75/734547475.db2.gz QFLKLVNLCVAHQX-TWMKSMIVSA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048870150 734547478 /nfs/dbraw/zinc/54/74/78/734547478.db2.gz QFLKLVNLCVAHQX-TWMKSMIVSA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048870150 734547481 /nfs/dbraw/zinc/54/74/81/734547481.db2.gz QFLKLVNLCVAHQX-TWMKSMIVSA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+]([C@H](CC)C(N)=O)C[C@@H]3C2)CC1 ZINC001049235171 734695017 /nfs/dbraw/zinc/69/50/17/734695017.db2.gz LLHAJLOCJIJSOB-IXDOHACOSA-N 2 1 346.475 -0.014 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001054296192 736187527 /nfs/dbraw/zinc/18/75/27/736187527.db2.gz RSHQHNMQFYPRDW-PMPSAXMXSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001054296192 736187529 /nfs/dbraw/zinc/18/75/29/736187529.db2.gz RSHQHNMQFYPRDW-PMPSAXMXSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC=C)[C@@H](n2ccnn2)C1 ZINC001070211552 740750231 /nfs/dbraw/zinc/75/02/31/740750231.db2.gz NLKHGZBZGMFMPK-PMPSAXMXSA-N 2 1 328.420 -0.097 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC=C)[C@@H](n2ccnn2)C1 ZINC001070211552 740750234 /nfs/dbraw/zinc/75/02/34/740750234.db2.gz NLKHGZBZGMFMPK-PMPSAXMXSA-N 2 1 328.420 -0.097 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCCO)CCCO2)CC1 ZINC001073898770 741781262 /nfs/dbraw/zinc/78/12/62/741781262.db2.gz BNDQEQAHKGITRA-KRWDZBQOSA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@@H+](CC(N)=O)C3)CC1 ZINC000982162114 806415811 /nfs/dbraw/zinc/41/58/11/806415811.db2.gz JASYGCPLYRFFJI-UHFFFAOYSA-N 2 1 332.448 -0.259 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](CC(N)=O)C3)CC1 ZINC000982162114 806415817 /nfs/dbraw/zinc/41/58/17/806415817.db2.gz JASYGCPLYRFFJI-UHFFFAOYSA-N 2 1 332.448 -0.259 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)CC1 ZINC000979085180 805126746 /nfs/dbraw/zinc/12/67/46/805126746.db2.gz FLIPJQFXTUHGMI-NXOAAHMSSA-N 2 1 344.459 -0.486 20 30 EBEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001214852867 810286496 /nfs/dbraw/zinc/28/64/96/810286496.db2.gz MMCQKTHKBZDRCM-ZACQAIPSSA-N 2 1 347.463 -0.100 20 30 EBEDMP C[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NCC#N)[C@H]3C2)CC1 ZINC001223416377 811705065 /nfs/dbraw/zinc/70/50/65/811705065.db2.gz VNINQMCJSOIYSC-ZBFHGGJFSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NCC#N)[C@H]3C2)CC1 ZINC001223416377 811705069 /nfs/dbraw/zinc/70/50/69/811705069.db2.gz VNINQMCJSOIYSC-ZBFHGGJFSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[N@@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001223605314 811717302 /nfs/dbraw/zinc/71/73/02/811717302.db2.gz UQFWVVGQUUYSKG-HNNXBMFYSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001223605314 811717305 /nfs/dbraw/zinc/71/73/05/811717305.db2.gz UQFWVVGQUUYSKG-HNNXBMFYSA-N 2 1 335.452 -0.061 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001224558554 811765527 /nfs/dbraw/zinc/76/55/27/811765527.db2.gz HLJCLXQSONLQTA-OAHLLOKOSA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC(NC(=O)C2CC[NH+](CC#C)CC2)CC1 ZINC001230344867 812104817 /nfs/dbraw/zinc/10/48/17/812104817.db2.gz OAOYPUDDCJPWDK-UHFFFAOYSA-N 2 1 344.459 -0.338 20 30 EBEDMP C#CCOC[C@@H](O)C[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001251840745 812635671 /nfs/dbraw/zinc/63/56/71/812635671.db2.gz UOEKSRABGPNNPO-KRWDZBQOSA-N 2 1 347.459 -0.179 20 30 EBEDMP C#CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)CC[NH+]2CCOCC2)n1 ZINC001264028249 813142151 /nfs/dbraw/zinc/14/21/51/813142151.db2.gz PFNNYVRRBQJJDJ-UHFFFAOYSA-N 2 1 347.419 -0.366 20 30 EBEDMP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC(=O)NCC#N ZINC001264062230 813143941 /nfs/dbraw/zinc/14/39/41/813143941.db2.gz WXZZPCOVZHYWKE-UONOGXRCSA-N 2 1 335.452 -0.063 20 30 EBEDMP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CC(=O)NCC#N ZINC001264062230 813143946 /nfs/dbraw/zinc/14/39/46/813143946.db2.gz WXZZPCOVZHYWKE-UONOGXRCSA-N 2 1 335.452 -0.063 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001265542958 813337219 /nfs/dbraw/zinc/33/72/19/813337219.db2.gz AZZXGKMPDOOYPU-WCVJEAGWSA-N 2 1 330.432 -0.541 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001265542958 813337228 /nfs/dbraw/zinc/33/72/28/813337228.db2.gz AZZXGKMPDOOYPU-WCVJEAGWSA-N 2 1 330.432 -0.541 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C[C@@H](O)COC)CC1 ZINC001266494914 813584331 /nfs/dbraw/zinc/58/43/31/813584331.db2.gz CNLRRDRJXLROCE-IAGOWNOFSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)CCN2CCNC2=O)CC1 ZINC001267257076 813807909 /nfs/dbraw/zinc/80/79/09/813807909.db2.gz NLNKRIZTTFUHJW-UHFFFAOYSA-N 2 1 349.479 -0.205 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001267530932 813922435 /nfs/dbraw/zinc/92/24/35/813922435.db2.gz HXOGRMUAJHYAHP-ZBFHGGJFSA-N 2 1 347.463 -0.204 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC[C@H]2CC[N@H+](CC(=O)NC)C2)CC1 ZINC001267605550 813949773 /nfs/dbraw/zinc/94/97/73/813949773.db2.gz XBSCMLVXWCANES-HNNXBMFYSA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001268143359 814134270 /nfs/dbraw/zinc/13/42/70/814134270.db2.gz UMXVFCXTUCBKRE-DZGCQCFKSA-N 2 1 331.420 -0.232 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268236763 814153442 /nfs/dbraw/zinc/15/34/42/814153442.db2.gz GQTDICHJRXPFAC-HOCLYGCPSA-N 2 1 334.464 -0.144 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268236763 814153450 /nfs/dbraw/zinc/15/34/50/814153450.db2.gz GQTDICHJRXPFAC-HOCLYGCPSA-N 2 1 334.464 -0.144 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001268307816 814182730 /nfs/dbraw/zinc/18/27/30/814182730.db2.gz IESDSZWUGJKOKD-HOTGVXAUSA-N 2 1 346.431 -0.950 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001268307816 814182734 /nfs/dbraw/zinc/18/27/34/814182734.db2.gz IESDSZWUGJKOKD-HOTGVXAUSA-N 2 1 346.431 -0.950 20 30 EBEDMP C=CCN1CC[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001268785476 814385613 /nfs/dbraw/zinc/38/56/13/814385613.db2.gz AUPNXQLPLRNRRS-CABCVRRESA-N 2 1 338.452 -0.458 20 30 EBEDMP C=CCN1CC[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001268785476 814385622 /nfs/dbraw/zinc/38/56/22/814385622.db2.gz AUPNXQLPLRNRRS-CABCVRRESA-N 2 1 338.452 -0.458 20 30 EBEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654736 814664985 /nfs/dbraw/zinc/66/49/85/814664985.db2.gz DLUQLUJOVRNHBY-OWQJAQGESA-N 2 1 335.448 -0.023 20 30 EBEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654736 814664988 /nfs/dbraw/zinc/66/49/88/814664988.db2.gz DLUQLUJOVRNHBY-OWQJAQGESA-N 2 1 335.448 -0.023 20 30 EBEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654736 814664995 /nfs/dbraw/zinc/66/49/95/814664995.db2.gz DLUQLUJOVRNHBY-OWQJAQGESA-N 2 1 335.448 -0.023 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001272216762 816355584 /nfs/dbraw/zinc/35/55/84/816355584.db2.gz XISXWCGVMXFDFN-JKSUJKDBSA-N 2 1 343.431 -0.136 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001272216762 816355590 /nfs/dbraw/zinc/35/55/90/816355590.db2.gz XISXWCGVMXFDFN-JKSUJKDBSA-N 2 1 343.431 -0.136 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001272216759 816356168 /nfs/dbraw/zinc/35/61/68/816356168.db2.gz XISXWCGVMXFDFN-CVEARBPZSA-N 2 1 343.431 -0.136 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001272216759 816356177 /nfs/dbraw/zinc/35/61/77/816356177.db2.gz XISXWCGVMXFDFN-CVEARBPZSA-N 2 1 343.431 -0.136 20 30 EBEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001273495706 816684794 /nfs/dbraw/zinc/68/47/94/816684794.db2.gz HXEIZRVVRWJRNG-LSDHHAIUSA-N 2 1 340.468 -0.212 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001273495705 816684956 /nfs/dbraw/zinc/68/49/56/816684956.db2.gz HXEIZRVVRWJRNG-HUUCEWRRSA-N 2 1 340.468 -0.212 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@@H]1CCCN(C)C1=O ZINC001274096896 816867591 /nfs/dbraw/zinc/86/75/91/816867591.db2.gz LBGCSPWGIBUDNV-SGFLJFKBSA-N 2 1 332.448 -0.033 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@@H]1CCCN(C)C1=O ZINC001274096896 816867598 /nfs/dbraw/zinc/86/75/98/816867598.db2.gz LBGCSPWGIBUDNV-SGFLJFKBSA-N 2 1 332.448 -0.033 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@@H]1CCCN(C)C1=O ZINC001274096895 816867885 /nfs/dbraw/zinc/86/78/85/816867885.db2.gz LBGCSPWGIBUDNV-MSNYOWOLSA-N 2 1 332.448 -0.033 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@@H]1CCCN(C)C1=O ZINC001274096895 816867891 /nfs/dbraw/zinc/86/78/91/816867891.db2.gz LBGCSPWGIBUDNV-MSNYOWOLSA-N 2 1 332.448 -0.033 20 30 EBEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001090275064 817215067 /nfs/dbraw/zinc/21/50/67/817215067.db2.gz XXDFLZCYFLIDBQ-HOCLYGCPSA-N 2 1 333.436 -0.367 20 30 EBEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001090275064 817215072 /nfs/dbraw/zinc/21/50/72/817215072.db2.gz XXDFLZCYFLIDBQ-HOCLYGCPSA-N 2 1 333.436 -0.367 20 30 EBEDMP C[NH+]1CCC(CC(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)CC1 ZINC001276715753 817459553 /nfs/dbraw/zinc/45/95/53/817459553.db2.gz DWKARJLDJSYEAI-PHZGNYQRSA-N 2 1 347.463 -0.348 20 30 EBEDMP C[NH+]1CCC(CC(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)CC1 ZINC001276715753 817459558 /nfs/dbraw/zinc/45/95/58/817459558.db2.gz DWKARJLDJSYEAI-PHZGNYQRSA-N 2 1 347.463 -0.348 20 30 EBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](O)C1 ZINC001090635937 817601422 /nfs/dbraw/zinc/60/14/22/817601422.db2.gz AEHVUGRAVIOECC-HZPDHXFCSA-N 2 1 333.436 -0.367 20 30 EBEDMP CN(C)C(=O)C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCCC#N)CC3)[C@H]2C1 ZINC001277943568 817660036 /nfs/dbraw/zinc/66/00/36/817660036.db2.gz YYSIUXFERFNKGP-GJZGRUSLSA-N 2 1 347.463 -0.109 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001278139472 817707832 /nfs/dbraw/zinc/70/78/32/817707832.db2.gz SNGYGTDOXWEJGK-IHRRRGAJSA-N 2 1 326.441 -0.914 20 30 EBEDMP C[C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC(=O)NCC#N ZINC001281674677 818258478 /nfs/dbraw/zinc/25/84/78/818258478.db2.gz IMOXKSAWRZHFJH-KGLIPLIRSA-N 2 1 335.452 -0.063 20 30 EBEDMP C[C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CC(=O)NCC#N ZINC001281674677 818258487 /nfs/dbraw/zinc/25/84/87/818258487.db2.gz IMOXKSAWRZHFJH-KGLIPLIRSA-N 2 1 335.452 -0.063 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001281722064 818270920 /nfs/dbraw/zinc/27/09/20/818270920.db2.gz LNSTZRZBFSQMNL-XHSDSOJGSA-N 2 1 332.448 -0.294 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001281722064 818270925 /nfs/dbraw/zinc/27/09/25/818270925.db2.gz LNSTZRZBFSQMNL-XHSDSOJGSA-N 2 1 332.448 -0.294 20 30 EBEDMP COCC#CC[NH+]1CCC(CO)(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001281816244 818284684 /nfs/dbraw/zinc/28/46/84/818284684.db2.gz GAZBPVASRXXCBM-UHFFFAOYSA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)C3CC[NH+](C)CC3)CC2=O)C1 ZINC001094776764 818451475 /nfs/dbraw/zinc/45/14/75/818451475.db2.gz FNNNHIFQLSDTQD-HNNXBMFYSA-N 2 1 332.448 -0.247 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)NC2(C[NH2+]CC(=O)NCC#N)CCCCC2)C1 ZINC001282627775 818469177 /nfs/dbraw/zinc/46/91/77/818469177.db2.gz XIMMUQJRVOXCEB-AWEZNQCLSA-N 2 1 335.452 -0.013 20 30 EBEDMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001282929044 818534588 /nfs/dbraw/zinc/53/45/88/818534588.db2.gz NTZRORWTXILGKG-ZIAGYGMSSA-N 2 1 339.440 -0.827 20 30 EBEDMP C[NH+](C)CCC(=O)NCCC[NH+]1CCN(c2cnc(C#N)cn2)CC1 ZINC001096258642 818759247 /nfs/dbraw/zinc/75/92/47/818759247.db2.gz CIKKMRLJUAOXNV-UHFFFAOYSA-N 2 1 345.451 -0.072 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001283505871 818832250 /nfs/dbraw/zinc/83/22/50/818832250.db2.gz CQOMDIJOPKQREA-DLBZAZTESA-N 2 1 344.459 -0.340 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001283505871 818832253 /nfs/dbraw/zinc/83/22/53/818832253.db2.gz CQOMDIJOPKQREA-DLBZAZTESA-N 2 1 344.459 -0.340 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1(C)C ZINC001284292879 819171690 /nfs/dbraw/zinc/17/16/90/819171690.db2.gz XNJLVDUZWUDVHX-JKSUJKDBSA-N 2 1 344.459 -0.340 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1(C)C ZINC001284292879 819171694 /nfs/dbraw/zinc/17/16/94/819171694.db2.gz XNJLVDUZWUDVHX-JKSUJKDBSA-N 2 1 344.459 -0.340 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1(C)C ZINC001284321662 819184051 /nfs/dbraw/zinc/18/40/51/819184051.db2.gz CDYSJISQTOAXBV-CABCVRRESA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001098434128 819185535 /nfs/dbraw/zinc/18/55/35/819185535.db2.gz NICZGZHHEGXSNR-URSIVYNOSA-N 2 1 347.459 -0.232 20 30 EBEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001098434128 819185539 /nfs/dbraw/zinc/18/55/39/819185539.db2.gz NICZGZHHEGXSNR-URSIVYNOSA-N 2 1 347.459 -0.232 20 30 EBEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001098434128 819185542 /nfs/dbraw/zinc/18/55/42/819185542.db2.gz NICZGZHHEGXSNR-URSIVYNOSA-N 2 1 347.459 -0.232 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCn1cccn1 ZINC001284416468 819220990 /nfs/dbraw/zinc/22/09/90/819220990.db2.gz NKRIOTKWUBDMAV-HOTGVXAUSA-N 2 1 333.436 -0.610 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCn1cccn1 ZINC001284416468 819220997 /nfs/dbraw/zinc/22/09/97/819220997.db2.gz NKRIOTKWUBDMAV-HOTGVXAUSA-N 2 1 333.436 -0.610 20 30 EBEDMP C[C@H](NC(=O)C[NH+]1CCCC1)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001284731614 819340551 /nfs/dbraw/zinc/34/05/51/819340551.db2.gz MEDQXJVMIQLSON-AWEZNQCLSA-N 2 1 335.452 -0.061 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(N)=O)C3)CC1 ZINC001099174514 819430701 /nfs/dbraw/zinc/43/07/01/819430701.db2.gz QWLDVKMQJXZKSP-YJBOKZPZSA-N 2 1 332.448 -0.212 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(N)=O)C3)CC1 ZINC001099174514 819430703 /nfs/dbraw/zinc/43/07/03/819430703.db2.gz QWLDVKMQJXZKSP-YJBOKZPZSA-N 2 1 332.448 -0.212 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NCC=C)C1 ZINC001100415327 820410844 /nfs/dbraw/zinc/41/08/44/820410844.db2.gz KMYLCZSCBNSPMF-GPANFISMSA-N 2 1 332.448 -0.129 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NCC=C)C1 ZINC001100415327 820410852 /nfs/dbraw/zinc/41/08/52/820410852.db2.gz KMYLCZSCBNSPMF-GPANFISMSA-N 2 1 332.448 -0.129 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCS(C)(=O)=O)C1 ZINC001100415448 820410951 /nfs/dbraw/zinc/41/09/51/820410951.db2.gz RABPDRSMRRATJU-NRXISQOPSA-N 2 1 341.477 -0.387 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCS(C)(=O)=O)C1 ZINC001100415448 820410958 /nfs/dbraw/zinc/41/09/58/820410958.db2.gz RABPDRSMRRATJU-NRXISQOPSA-N 2 1 341.477 -0.387 20 30 EBEDMP CC[C@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1)[NH+](C)C ZINC001101277706 820743636 /nfs/dbraw/zinc/74/36/36/820743636.db2.gz UXPFSYMFCMITKW-CPUCHLNUSA-N 2 1 335.452 -0.253 20 30 EBEDMP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1)[NH+](C)C ZINC001101277706 820743643 /nfs/dbraw/zinc/74/36/43/820743643.db2.gz UXPFSYMFCMITKW-CPUCHLNUSA-N 2 1 335.452 -0.253 20 30 EBEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@H]2C)CC[NH+]1C ZINC001101982894 820983950 /nfs/dbraw/zinc/98/39/50/820983950.db2.gz QISHTMRBVNTRGW-KBUPBQIOSA-N 2 1 335.452 -0.350 20 30 EBEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC#N)C[C@H]2C)CC[N@@H+]1C ZINC001101982894 820983954 /nfs/dbraw/zinc/98/39/54/820983954.db2.gz QISHTMRBVNTRGW-KBUPBQIOSA-N 2 1 335.452 -0.350 20 30 EBEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC#N)C[C@H]2C)CC[N@H+]1C ZINC001101982894 820983957 /nfs/dbraw/zinc/98/39/57/820983957.db2.gz QISHTMRBVNTRGW-KBUPBQIOSA-N 2 1 335.452 -0.350 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370058 821081435 /nfs/dbraw/zinc/08/14/35/821081435.db2.gz PJQCKHJYERFZFM-BZUAXINKSA-N 2 1 334.464 -0.238 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370058 821081441 /nfs/dbraw/zinc/08/14/41/821081441.db2.gz PJQCKHJYERFZFM-BZUAXINKSA-N 2 1 334.464 -0.238 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370058 821081449 /nfs/dbraw/zinc/08/14/49/821081449.db2.gz PJQCKHJYERFZFM-BZUAXINKSA-N 2 1 334.464 -0.238 20 30 EBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722377 821344722 /nfs/dbraw/zinc/34/47/22/821344722.db2.gz KSNXIPMVFMORSW-HUUCEWRRSA-N 2 1 335.452 -0.204 20 30 EBEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001105244278 821643719 /nfs/dbraw/zinc/64/37/19/821643719.db2.gz UOAQSCZUGFVYNB-HOCLYGCPSA-N 2 1 346.435 -0.200 20 30 EBEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001105244278 821643722 /nfs/dbraw/zinc/64/37/22/821643722.db2.gz UOAQSCZUGFVYNB-HOCLYGCPSA-N 2 1 346.435 -0.200 20 30 EBEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326907 821694697 /nfs/dbraw/zinc/69/46/97/821694697.db2.gz LHNVVBHEKKGDEW-XJKSGUPXSA-N 2 1 330.436 -0.028 20 30 EBEDMP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001316755738 821846368 /nfs/dbraw/zinc/84/63/68/821846368.db2.gz PMEKXAFMIOUUFH-PMPSAXMXSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001316755738 821846370 /nfs/dbraw/zinc/84/63/70/821846370.db2.gz PMEKXAFMIOUUFH-PMPSAXMXSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001316755738 821846376 /nfs/dbraw/zinc/84/63/76/821846376.db2.gz PMEKXAFMIOUUFH-PMPSAXMXSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001316755738 821846381 /nfs/dbraw/zinc/84/63/81/821846381.db2.gz PMEKXAFMIOUUFH-PMPSAXMXSA-N 2 1 347.463 -0.109 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001317097340 822001887 /nfs/dbraw/zinc/00/18/87/822001887.db2.gz SPEDURLJRJAUFF-AJNGGQMLSA-N 2 1 336.436 -0.918 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001317097340 822001891 /nfs/dbraw/zinc/00/18/91/822001891.db2.gz SPEDURLJRJAUFF-AJNGGQMLSA-N 2 1 336.436 -0.918 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001317213294 822039543 /nfs/dbraw/zinc/03/95/43/822039543.db2.gz WBIOGQNTOBKEGS-QFXBJFAPSA-N 2 1 344.459 -0.201 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001317213294 822039552 /nfs/dbraw/zinc/03/95/52/822039552.db2.gz WBIOGQNTOBKEGS-QFXBJFAPSA-N 2 1 344.459 -0.201 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001317213294 822039562 /nfs/dbraw/zinc/03/95/62/822039562.db2.gz WBIOGQNTOBKEGS-QFXBJFAPSA-N 2 1 344.459 -0.201 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001317213294 822039572 /nfs/dbraw/zinc/03/95/72/822039572.db2.gz WBIOGQNTOBKEGS-QFXBJFAPSA-N 2 1 344.459 -0.201 20 30 EBEDMP C#CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001317294897 822071765 /nfs/dbraw/zinc/07/17/65/822071765.db2.gz APCVWKODLJJAQK-HOTGVXAUSA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001317478145 822125684 /nfs/dbraw/zinc/12/56/84/822125684.db2.gz DCMMTWXDVYWWAK-GOEBONIOSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001317478145 822125687 /nfs/dbraw/zinc/12/56/87/822125687.db2.gz DCMMTWXDVYWWAK-GOEBONIOSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001317478146 822126416 /nfs/dbraw/zinc/12/64/16/822126416.db2.gz DCMMTWXDVYWWAK-HOCLYGCPSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001317478146 822126420 /nfs/dbraw/zinc/12/64/20/822126420.db2.gz DCMMTWXDVYWWAK-HOCLYGCPSA-N 2 1 334.464 -0.096 20 30 EBEDMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)C1 ZINC001106666570 822308151 /nfs/dbraw/zinc/30/81/51/822308151.db2.gz PCGLTQUPVJQVGS-RBSFLKMASA-N 2 1 335.452 -0.348 20 30 EBEDMP C[C@@H]1CC[N@@H+](CC(=O)NC2(C[NH2+]CC(=O)NCC#N)CCCC2)C1 ZINC001318655362 822348031 /nfs/dbraw/zinc/34/80/31/822348031.db2.gz ZDGPWOGIDRDDRE-CQSZACIVSA-N 2 1 335.452 -0.013 20 30 EBEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129683867 828656057 /nfs/dbraw/zinc/65/60/57/828656057.db2.gz BQYZNVRIXOYZKF-PMPSAXMXSA-N 2 1 346.435 -0.636 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001129770245 828666509 /nfs/dbraw/zinc/66/65/09/828666509.db2.gz DCSMXTGICKYXRC-HNNXBMFYSA-N 2 1 341.477 -0.385 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001129770245 828666510 /nfs/dbraw/zinc/66/65/10/828666510.db2.gz DCSMXTGICKYXRC-HNNXBMFYSA-N 2 1 341.477 -0.385 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001129771335 828667451 /nfs/dbraw/zinc/66/74/51/828667451.db2.gz WAWGWRSEJWKLSA-KBPBESRZSA-N 2 1 327.450 -0.776 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001129771335 828667458 /nfs/dbraw/zinc/66/74/58/828667458.db2.gz WAWGWRSEJWKLSA-KBPBESRZSA-N 2 1 327.450 -0.776 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1 ZINC001129898339 828690039 /nfs/dbraw/zinc/69/00/39/828690039.db2.gz QRQXEBSMQGJXEY-PMPSAXMXSA-N 2 1 346.435 -0.636 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1 ZINC001129898339 828690044 /nfs/dbraw/zinc/69/00/44/828690044.db2.gz QRQXEBSMQGJXEY-PMPSAXMXSA-N 2 1 346.435 -0.636 20 30 EBEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086173 828729912 /nfs/dbraw/zinc/72/99/12/828729912.db2.gz OKWAUQHKWCPARR-OAGGEKHMSA-N 2 1 330.436 -0.015 20 30 EBEDMP C[N@@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NCC#N)C3)C1 ZINC001111939558 825348945 /nfs/dbraw/zinc/34/89/45/825348945.db2.gz HGBLCSXFFRRMMX-MPGHIAIKSA-N 2 1 347.463 -0.061 20 30 EBEDMP C[N@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NCC#N)C3)C1 ZINC001111939558 825348955 /nfs/dbraw/zinc/34/89/55/825348955.db2.gz HGBLCSXFFRRMMX-MPGHIAIKSA-N 2 1 347.463 -0.061 20 30 EBEDMP C[NH+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NCC#N)C3)C1 ZINC001111939558 825348970 /nfs/dbraw/zinc/34/89/70/825348970.db2.gz HGBLCSXFFRRMMX-MPGHIAIKSA-N 2 1 347.463 -0.061 20 30 EBEDMP C[NH+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NCC#N)C3)C1 ZINC001111939558 825348976 /nfs/dbraw/zinc/34/89/76/825348976.db2.gz HGBLCSXFFRRMMX-MPGHIAIKSA-N 2 1 347.463 -0.061 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130421949 828827921 /nfs/dbraw/zinc/82/79/21/828827921.db2.gz QKZMTHKWQQTOJV-LBPRGKRZSA-N 2 1 341.456 -0.177 20 30 EBEDMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001114368624 826221966 /nfs/dbraw/zinc/22/19/66/826221966.db2.gz PWRLUXOPBBNIAM-KNCOVGOOSA-N 2 1 333.436 -0.453 20 30 EBEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001114368624 826221975 /nfs/dbraw/zinc/22/19/75/826221975.db2.gz PWRLUXOPBBNIAM-KNCOVGOOSA-N 2 1 333.436 -0.453 20 30 EBEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114368624 826221982 /nfs/dbraw/zinc/22/19/82/826221982.db2.gz PWRLUXOPBBNIAM-KNCOVGOOSA-N 2 1 333.436 -0.453 20 30 EBEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114368624 826221986 /nfs/dbraw/zinc/22/19/86/826221986.db2.gz PWRLUXOPBBNIAM-KNCOVGOOSA-N 2 1 333.436 -0.453 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CCCCC2)C1 ZINC001120129122 827175820 /nfs/dbraw/zinc/17/58/20/827175820.db2.gz DJZNSLDERSUNNR-AWEZNQCLSA-N 2 1 335.452 -0.013 20 30 EBEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125203178 828073009 /nfs/dbraw/zinc/07/30/09/828073009.db2.gz JUJLKRWVJQUHJY-LSDHHAIUSA-N 2 1 340.468 -0.164 20 30 EBEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125203178 828073014 /nfs/dbraw/zinc/07/30/14/828073014.db2.gz JUJLKRWVJQUHJY-LSDHHAIUSA-N 2 1 340.468 -0.164 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133833971 829681142 /nfs/dbraw/zinc/68/11/42/829681142.db2.gz KWISKDULUSBGLW-QWHCGFSZSA-N 2 1 339.440 -0.423 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147225699 830304022 /nfs/dbraw/zinc/30/40/22/830304022.db2.gz SWMBDGIXFLPSPH-GJZGRUSLSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001147225699 830304030 /nfs/dbraw/zinc/30/40/30/830304030.db2.gz SWMBDGIXFLPSPH-GJZGRUSLSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001147225699 830304036 /nfs/dbraw/zinc/30/40/36/830304036.db2.gz SWMBDGIXFLPSPH-GJZGRUSLSA-N 2 1 332.448 -0.247 20 30 EBEDMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)C2 ZINC001148284722 830464788 /nfs/dbraw/zinc/46/47/88/830464788.db2.gz BDGWPMOHKLYZFG-ZIAGYGMSSA-N 2 1 333.436 -0.642 20 30 EBEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)C2 ZINC001148284722 830464795 /nfs/dbraw/zinc/46/47/95/830464795.db2.gz BDGWPMOHKLYZFG-ZIAGYGMSSA-N 2 1 333.436 -0.642 20 30 EBEDMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC#N)C2 ZINC001148284722 830464797 /nfs/dbraw/zinc/46/47/97/830464797.db2.gz BDGWPMOHKLYZFG-ZIAGYGMSSA-N 2 1 333.436 -0.642 20 30 EBEDMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC#N)C2 ZINC001148284722 830464804 /nfs/dbraw/zinc/46/48/04/830464804.db2.gz BDGWPMOHKLYZFG-ZIAGYGMSSA-N 2 1 333.436 -0.642 20 30 EBEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CC[NH+](CC#CCOC)C3)C1 ZINC001148791829 830541871 /nfs/dbraw/zinc/54/18/71/830541871.db2.gz RXLBJFPFLURYBA-MRXNPFEDSA-N 2 1 335.448 -0.109 20 30 EBEDMP CC[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CC[NH+](CC#CCOC)C3)C1 ZINC001148791829 830541876 /nfs/dbraw/zinc/54/18/76/830541876.db2.gz RXLBJFPFLURYBA-MRXNPFEDSA-N 2 1 335.448 -0.109 20 30 EBEDMP CC[NH+]1CCO[C@@H](C(=O)N2CC3(C2)CC[N@H+](CC#CCOC)C3)C1 ZINC001148791829 830541884 /nfs/dbraw/zinc/54/18/84/830541884.db2.gz RXLBJFPFLURYBA-MRXNPFEDSA-N 2 1 335.448 -0.109 20 30 EBEDMP CC[NH+]1CCO[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CC#CCOC)C3)C1 ZINC001148791829 830541888 /nfs/dbraw/zinc/54/18/88/830541888.db2.gz RXLBJFPFLURYBA-MRXNPFEDSA-N 2 1 335.448 -0.109 20 30 EBEDMP C=CCOCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001149439953 830666108 /nfs/dbraw/zinc/66/61/08/830666108.db2.gz RLTPXFKZWUNUHF-HZPDHXFCSA-N 2 1 341.452 -0.273 20 30 EBEDMP C=CCOCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001149439953 830666110 /nfs/dbraw/zinc/66/61/10/830666110.db2.gz RLTPXFKZWUNUHF-HZPDHXFCSA-N 2 1 341.452 -0.273 20 30 EBEDMP C=CCOCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001149439953 830666112 /nfs/dbraw/zinc/66/61/12/830666112.db2.gz RLTPXFKZWUNUHF-HZPDHXFCSA-N 2 1 341.452 -0.273 20 30 EBEDMP C=CCOCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001149439953 830666116 /nfs/dbraw/zinc/66/61/16/830666116.db2.gz RLTPXFKZWUNUHF-HZPDHXFCSA-N 2 1 341.452 -0.273 20 30 EBEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240283 830845219 /nfs/dbraw/zinc/84/52/19/830845219.db2.gz DTXHFXMUHRDBQC-GJZGRUSLSA-N 2 1 340.468 -0.164 20 30 EBEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240283 830845226 /nfs/dbraw/zinc/84/52/26/830845226.db2.gz DTXHFXMUHRDBQC-GJZGRUSLSA-N 2 1 340.468 -0.164 20 30 EBEDMP COCC#CC[N@@H+]1CCCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001150579252 830937685 /nfs/dbraw/zinc/93/76/85/830937685.db2.gz LBCGGWJCRHNUBW-INIZCTEOSA-N 2 1 335.448 -0.061 20 30 EBEDMP COCC#CC[N@H+]1CCCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001150579252 830937690 /nfs/dbraw/zinc/93/76/90/830937690.db2.gz LBCGGWJCRHNUBW-INIZCTEOSA-N 2 1 335.448 -0.061 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001153324528 831224923 /nfs/dbraw/zinc/22/49/23/831224923.db2.gz LVUMFXKJMMGPPF-HNNXBMFYSA-N 2 1 330.432 -0.038 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001153324528 831224928 /nfs/dbraw/zinc/22/49/28/831224928.db2.gz LVUMFXKJMMGPPF-HNNXBMFYSA-N 2 1 330.432 -0.038 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155822110 831433832 /nfs/dbraw/zinc/43/38/32/831433832.db2.gz ITRRYCVXSZSCPH-OLZOCXBDSA-N 2 1 339.440 -0.423 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CC(=O)NCC#N)CC1 ZINC001157092041 831532724 /nfs/dbraw/zinc/53/27/24/831532724.db2.gz GWFIGARUTNJZBU-OAHLLOKOSA-N 2 1 347.463 -0.202 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CC(=O)NCC#N)CC1 ZINC001157092041 831532732 /nfs/dbraw/zinc/53/27/32/831532732.db2.gz GWFIGARUTNJZBU-OAHLLOKOSA-N 2 1 347.463 -0.202 20 30 EBEDMP C[N@@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CC(=O)NCC#N)CC1 ZINC001159629179 831768116 /nfs/dbraw/zinc/76/81/16/831768116.db2.gz WVCSVHJPWYAOBC-OAHLLOKOSA-N 2 1 333.436 -0.141 20 30 EBEDMP C[N@H+]1CCC[C@@H]1C(=O)NCCC1=CC[NH+](CC(=O)NCC#N)CC1 ZINC001159629179 831768121 /nfs/dbraw/zinc/76/81/21/831768121.db2.gz WVCSVHJPWYAOBC-OAHLLOKOSA-N 2 1 333.436 -0.141 20 30 EBEDMP C[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@H+](CC(=O)NCC#N)CC1 ZINC001159629179 831768125 /nfs/dbraw/zinc/76/81/25/831768125.db2.gz WVCSVHJPWYAOBC-OAHLLOKOSA-N 2 1 333.436 -0.141 20 30 EBEDMP C[NH+]1CCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CC(=O)NCC#N)CC1 ZINC001159629179 831768128 /nfs/dbraw/zinc/76/81/28/831768128.db2.gz WVCSVHJPWYAOBC-OAHLLOKOSA-N 2 1 333.436 -0.141 20 30 EBEDMP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001163939497 832160336 /nfs/dbraw/zinc/16/03/36/832160336.db2.gz BCLXFTGWWQWIRD-AWEZNQCLSA-N 2 1 338.452 -0.505 20 30 EBEDMP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001163939497 832160339 /nfs/dbraw/zinc/16/03/39/832160339.db2.gz BCLXFTGWWQWIRD-AWEZNQCLSA-N 2 1 338.452 -0.505 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCOCCO)CC1 ZINC001165545739 832226384 /nfs/dbraw/zinc/22/63/84/832226384.db2.gz NVDMMWSINMDSAA-INIZCTEOSA-N 2 1 337.464 -0.031 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCOCCO)CC1 ZINC001165545739 832226389 /nfs/dbraw/zinc/22/63/89/832226389.db2.gz NVDMMWSINMDSAA-INIZCTEOSA-N 2 1 337.464 -0.031 20 30 EBEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001167235861 832319312 /nfs/dbraw/zinc/31/93/12/832319312.db2.gz BCLDAVPCLRRJIX-UONOGXRCSA-N 2 1 335.452 -0.300 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001169990898 832488134 /nfs/dbraw/zinc/48/81/34/832488134.db2.gz KBEJSHZAWGMGSD-HUUCEWRRSA-N 2 1 338.452 -0.669 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001169990898 832488138 /nfs/dbraw/zinc/48/81/38/832488138.db2.gz KBEJSHZAWGMGSD-HUUCEWRRSA-N 2 1 338.452 -0.669 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171219174 832552544 /nfs/dbraw/zinc/55/25/44/832552544.db2.gz UXPQMUFEHVNAJA-ZDUSSCGKSA-N 2 1 339.440 -0.564 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NCC#N ZINC001171308211 832555437 /nfs/dbraw/zinc/55/54/37/832555437.db2.gz PGDZHGBWCGIDRW-HOTGVXAUSA-N 2 1 347.463 -0.012 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NCC#N ZINC001171308211 832555441 /nfs/dbraw/zinc/55/54/41/832555441.db2.gz PGDZHGBWCGIDRW-HOTGVXAUSA-N 2 1 347.463 -0.012 20 30 EBEDMP C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001188561373 834062938 /nfs/dbraw/zinc/06/29/38/834062938.db2.gz BYCZJAKVSCMVBR-LSDHHAIUSA-N 2 1 329.404 -0.526 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001189923773 834209720 /nfs/dbraw/zinc/20/97/20/834209720.db2.gz YXXTZYIGQTWZRZ-OWCLPIDISA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001189923773 834209729 /nfs/dbraw/zinc/20/97/29/834209729.db2.gz YXXTZYIGQTWZRZ-OWCLPIDISA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001189923773 834209735 /nfs/dbraw/zinc/20/97/35/834209735.db2.gz YXXTZYIGQTWZRZ-OWCLPIDISA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001189923773 834209742 /nfs/dbraw/zinc/20/97/42/834209742.db2.gz YXXTZYIGQTWZRZ-OWCLPIDISA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](C[C@@H](O)COC)CC2)CC1 ZINC001198236687 835656889 /nfs/dbraw/zinc/65/68/89/835656889.db2.gz UMTUOIUHFVLGGX-QGZVFWFLSA-N 2 1 337.464 -0.127 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001203168065 836403040 /nfs/dbraw/zinc/40/30/40/836403040.db2.gz JGPWFWRHOVROID-GJZGRUSLSA-N 2 1 343.431 -0.042 20 30 EBEDMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203794208 836477959 /nfs/dbraw/zinc/47/79/59/836477959.db2.gz VNJHVOSZUUHQAC-KGLIPLIRSA-N 2 1 335.452 -0.017 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001203798389 836479449 /nfs/dbraw/zinc/47/94/49/836479449.db2.gz SVMDZRQWZVYTIJ-HNNXBMFYSA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001203798389 836479453 /nfs/dbraw/zinc/47/94/53/836479453.db2.gz SVMDZRQWZVYTIJ-HNNXBMFYSA-N 2 1 336.436 -0.963 20 30 EBEDMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001206274998 836634864 /nfs/dbraw/zinc/63/48/64/836634864.db2.gz NSUQEDBCIWXKPW-AWEZNQCLSA-N 2 1 335.452 -0.204 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001206281116 836635085 /nfs/dbraw/zinc/63/50/85/836635085.db2.gz BHXXLYOHNZIFBR-GDBMZVCRSA-N 2 1 334.464 -0.238 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001206979340 836740309 /nfs/dbraw/zinc/74/03/09/836740309.db2.gz QVPPIPISTUXULF-VNQPRFMTSA-N 2 1 332.448 -0.486 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001206979340 836740317 /nfs/dbraw/zinc/74/03/17/836740317.db2.gz QVPPIPISTUXULF-VNQPRFMTSA-N 2 1 332.448 -0.486 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC(=O)NCC#N)C1 ZINC001320104016 838231162 /nfs/dbraw/zinc/23/11/62/838231162.db2.gz ORBLQUVZPLVREM-GJZGRUSLSA-N 2 1 344.419 -0.246 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC(=O)NCC#N)C1 ZINC001320104016 838231175 /nfs/dbraw/zinc/23/11/75/838231175.db2.gz ORBLQUVZPLVREM-GJZGRUSLSA-N 2 1 344.419 -0.246 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2ncccn2)CC1 ZINC001320316193 838756268 /nfs/dbraw/zinc/75/62/68/838756268.db2.gz LLMZLOQSZWIKCN-HOCLYGCPSA-N 2 1 345.447 -0.051 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+][C@H](C)c2ncccn2)CC1 ZINC001320316194 838756509 /nfs/dbraw/zinc/75/65/09/838756509.db2.gz LLMZLOQSZWIKCN-ZBFHGGJFSA-N 2 1 345.447 -0.051 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)Nc1ccon1 ZINC001321876875 839092224 /nfs/dbraw/zinc/09/22/24/839092224.db2.gz XGWBSYCKKLCANX-STQMWFEESA-N 2 1 333.392 -0.195 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)Nc1ccon1 ZINC001321876875 839092237 /nfs/dbraw/zinc/09/22/37/839092237.db2.gz XGWBSYCKKLCANX-STQMWFEESA-N 2 1 333.392 -0.195 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001323065965 839339715 /nfs/dbraw/zinc/33/97/15/839339715.db2.gz LIKUMBREDZTHCH-BPUTZDHNSA-N 2 1 334.464 -0.050 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@@H](O)COC)C[C@@H]2C1 ZINC001325740858 839925290 /nfs/dbraw/zinc/92/52/90/839925290.db2.gz PUZOBXIKHLMHGD-TWMKSMIVSA-N 2 1 335.448 -0.519 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@@H]2C1 ZINC001325740858 839925298 /nfs/dbraw/zinc/92/52/98/839925298.db2.gz PUZOBXIKHLMHGD-TWMKSMIVSA-N 2 1 335.448 -0.519 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@@H](O)COC)C[C@@H]2C1 ZINC001325740858 839925305 /nfs/dbraw/zinc/92/53/05/839925305.db2.gz PUZOBXIKHLMHGD-TWMKSMIVSA-N 2 1 335.448 -0.519 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@@H](O)COC)C[C@@H]2C1 ZINC001325740858 839925311 /nfs/dbraw/zinc/92/53/11/839925311.db2.gz PUZOBXIKHLMHGD-TWMKSMIVSA-N 2 1 335.448 -0.519 20 30 EBEDMP C#CCC[NH2+]C1CCN(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001325819422 839945391 /nfs/dbraw/zinc/94/53/91/839945391.db2.gz VRRVNYFGOUOGLQ-QGZVFWFLSA-N 2 1 336.480 -0.099 20 30 EBEDMP C#CCC[NH2+]C1CCN(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001325819422 839945396 /nfs/dbraw/zinc/94/53/96/839945396.db2.gz VRRVNYFGOUOGLQ-QGZVFWFLSA-N 2 1 336.480 -0.099 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001326988668 840260197 /nfs/dbraw/zinc/26/01/97/840260197.db2.gz OWYSTURURNMURY-HNNXBMFYSA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001326989380 840261702 /nfs/dbraw/zinc/26/17/02/840261702.db2.gz IQZFNSSORYAFRA-HOTGVXAUSA-N 2 1 348.447 -0.820 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001326989380 840261708 /nfs/dbraw/zinc/26/17/08/840261708.db2.gz IQZFNSSORYAFRA-HOTGVXAUSA-N 2 1 348.447 -0.820 20 30 EBEDMP COCC#CC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001327593682 840468273 /nfs/dbraw/zinc/46/82/73/840468273.db2.gz YZYNLWQIRCKUPR-AEFFLSMTSA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001330328867 841165900 /nfs/dbraw/zinc/16/59/00/841165900.db2.gz PUTMTDAADJGMQH-FPCVCCKLSA-N 2 1 334.464 -0.240 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001331755982 841484290 /nfs/dbraw/zinc/48/42/90/841484290.db2.gz FXNZXNCYKXKVTL-KGLIPLIRSA-N 2 1 338.452 -0.935 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]C[C@H](O)COC)C(C)(C)C1 ZINC001332389117 841632608 /nfs/dbraw/zinc/63/26/08/841632608.db2.gz WEAXVUBZRSMBKN-HRCADAONSA-N 2 1 337.464 -0.082 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]C[C@H](O)COC)C(C)(C)C1 ZINC001332389117 841632610 /nfs/dbraw/zinc/63/26/10/841632610.db2.gz WEAXVUBZRSMBKN-HRCADAONSA-N 2 1 337.464 -0.082 20 30 EBEDMP C#CC[N@@H+](C[C@H]1CNC(=O)C1)C1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC001333066708 841788097 /nfs/dbraw/zinc/78/80/97/841788097.db2.gz MCVXEKUHSVUJPP-HUUCEWRRSA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CC[N@H+](C[C@H]1CNC(=O)C1)C1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC001333066708 841788103 /nfs/dbraw/zinc/78/81/03/841788103.db2.gz MCVXEKUHSVUJPP-HUUCEWRRSA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CCN(C(=O)C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1)C1CC[NH+](C)CC1 ZINC001336509614 842476696 /nfs/dbraw/zinc/47/66/96/842476696.db2.gz JXKDCNBOPYVDNV-ZBFHGGJFSA-N 2 1 332.448 -0.295 20 30 EBEDMP CC(C)(C(=O)NC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1)[NH+]1CCCC1 ZINC001691151681 1125838642 /nfs/dbraw/zinc/83/86/42/1125838642.db2.gz QMGXNGHIMORVCS-AWEZNQCLSA-N 2 1 335.452 -0.061 20 30 EBEDMP CC(C)(C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)[NH+]1CCCC1 ZINC001691151681 1125838643 /nfs/dbraw/zinc/83/86/43/1125838643.db2.gz QMGXNGHIMORVCS-AWEZNQCLSA-N 2 1 335.452 -0.061 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001691232174 1125844493 /nfs/dbraw/zinc/84/44/93/1125844493.db2.gz QRPMOGWPMTWJPB-BBWFWOEESA-N 2 1 344.459 -0.292 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001691232174 1125844495 /nfs/dbraw/zinc/84/44/95/1125844495.db2.gz QRPMOGWPMTWJPB-BBWFWOEESA-N 2 1 344.459 -0.292 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001481092876 1125919979 /nfs/dbraw/zinc/91/99/79/1125919979.db2.gz QLIJWJMRBJECMF-GOEBONIOSA-N 2 1 332.448 -0.484 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001481117642 1125925485 /nfs/dbraw/zinc/92/54/85/1125925485.db2.gz CJOWEYXPIXWSCX-HUUCEWRRSA-N 2 1 332.448 -0.342 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001482435488 1126149639 /nfs/dbraw/zinc/14/96/39/1126149639.db2.gz FXCUWYOQVTZVFZ-OCCSQVGLSA-N 2 1 332.408 -0.342 20 30 EBEDMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001482797236 1126293899 /nfs/dbraw/zinc/29/38/99/1126293899.db2.gz MLPCGAPIDFNCPW-IRXDYDNUSA-N 2 1 346.431 -0.154 20 30 EBEDMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001482797236 1126293900 /nfs/dbraw/zinc/29/39/00/1126293900.db2.gz MLPCGAPIDFNCPW-IRXDYDNUSA-N 2 1 346.431 -0.154 20 30 EBEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001484238571 1126536471 /nfs/dbraw/zinc/53/64/71/1126536471.db2.gz JGVPMQNWGTXNKQ-WMLDXEAASA-N 2 1 338.452 -0.722 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001484686780 1126621854 /nfs/dbraw/zinc/62/18/54/1126621854.db2.gz ZNALEVVWTAGNOS-AWEZNQCLSA-N 2 1 335.408 -0.689 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC001485568873 1126753125 /nfs/dbraw/zinc/75/31/25/1126753125.db2.gz GWEZNKBVDRUDDX-CVEARBPZSA-N 2 1 346.475 -0.096 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC001485568873 1126753130 /nfs/dbraw/zinc/75/31/30/1126753130.db2.gz GWEZNKBVDRUDDX-CVEARBPZSA-N 2 1 346.475 -0.096 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N(C)[C@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001485834978 1126889618 /nfs/dbraw/zinc/88/96/18/1126889618.db2.gz UTTKIIMVVJJYRO-CQSZACIVSA-N 2 1 332.408 -0.342 20 30 EBEDMP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@H+](CC(=O)NCC#N)CC2)CC1 ZINC001280756858 1129396679 /nfs/dbraw/zinc/39/66/79/1129396679.db2.gz PGJRBUINBNYROX-AWEZNQCLSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NCC#N)CC2)CC1 ZINC001280756858 1129396686 /nfs/dbraw/zinc/39/66/86/1129396686.db2.gz PGJRBUINBNYROX-AWEZNQCLSA-N 2 1 335.452 -0.061 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001691742695 1129715278 /nfs/dbraw/zinc/71/52/78/1129715278.db2.gz HAZLPFPVHFMXGQ-XUWVNRHRSA-N 2 1 334.464 -0.050 20 30 EBEDMP C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2C[NH2+]CC(=O)NCC#N)C1 ZINC001491264631 1130378123 /nfs/dbraw/zinc/37/81/23/1130378123.db2.gz UEIIPCNFOBIJDH-LSDHHAIUSA-N 2 1 335.452 -0.061 20 30 EBEDMP C=CCNC(=O)NC(=O)CN(C)CCNC(=O)Cn1c[nH+]cc1C ZINC001492342137 1130652564 /nfs/dbraw/zinc/65/25/64/1130652564.db2.gz KOZWJZJQFCBAMK-UHFFFAOYSA-N 2 1 336.396 -0.749 20 30 EBEDMP CN(C[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001369456042 1134794711 /nfs/dbraw/zinc/79/47/11/1134794711.db2.gz AVCVKPMEKHNJCH-DLBZAZTESA-N 2 1 346.431 -0.202 20 30 EBEDMP CN(C[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001369456042 1134794717 /nfs/dbraw/zinc/79/47/17/1134794717.db2.gz AVCVKPMEKHNJCH-DLBZAZTESA-N 2 1 346.431 -0.202 20 30 EBEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000491653836 379610620 /nfs/dbraw/zinc/61/06/20/379610620.db2.gz DNYCRCYPCFJCBR-UHFFFAOYSA-N 2 1 337.468 -0.253 20 30 EBEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000491653836 379610629 /nfs/dbraw/zinc/61/06/29/379610629.db2.gz DNYCRCYPCFJCBR-UHFFFAOYSA-N 2 1 337.468 -0.253 20 30 EBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCn2ncc(C(N)=O)c2C1 ZINC000280043901 379969758 /nfs/dbraw/zinc/96/97/58/379969758.db2.gz RANYTWVTDLKBNO-CHWSQXEVSA-N 2 1 347.467 -0.067 20 30 EBEDMP C[NH+](CC#CC[N@@H+](C)CCN1CCOCC1)CCN1CCOCC1 ZINC000341895999 380745263 /nfs/dbraw/zinc/74/52/63/380745263.db2.gz NGBMBHVYLQFAGQ-UHFFFAOYSA-N 2 1 338.496 -0.482 20 30 EBEDMP CO[C@H]1C[N@@H+](CC#CC[NH+]2C[C@@H](OC)C[C@]2(C)CO)[C@@](C)(CO)C1 ZINC000639999170 381174671 /nfs/dbraw/zinc/17/46/71/381174671.db2.gz ITBYHWZPRBEVEX-XMTFNYHQSA-N 2 1 340.464 -0.067 20 30 EBEDMP CO[C@H]1C[NH+](CC#CC[N@@H+]2C[C@@H](OC)C[C@]2(C)CO)[C@@](C)(CO)C1 ZINC000639999170 381174679 /nfs/dbraw/zinc/17/46/79/381174679.db2.gz ITBYHWZPRBEVEX-XMTFNYHQSA-N 2 1 340.464 -0.067 20 30 EBEDMP CO[C@H]1C[NH+](CC#CC[N@H+]2C[C@@H](OC)C[C@]2(C)CO)[C@@](C)(CO)C1 ZINC000639999170 381174684 /nfs/dbraw/zinc/17/46/84/381174684.db2.gz ITBYHWZPRBEVEX-XMTFNYHQSA-N 2 1 340.464 -0.067 20 30 EBEDMP C[C@@H]1CC[NH+](CC(=O)NCC#CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000654991818 420847618 /nfs/dbraw/zinc/84/76/18/420847618.db2.gz JTYCPLGQCFBNHA-HZPDHXFCSA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891921699 582563410 /nfs/dbraw/zinc/56/34/10/582563410.db2.gz SEVJLRDXIBFWOE-ZNMIVQPWSA-N 2 1 349.435 -0.482 20 30 EBEDMP C[NH+]=C(NCCN1CCOCC1)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000849108506 584166012 /nfs/dbraw/zinc/16/60/12/584166012.db2.gz VVOIBOGBRYKLOU-UHFFFAOYSA-N 2 1 340.516 -0.490 20 30 EBEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000889434375 584686822 /nfs/dbraw/zinc/68/68/22/584686822.db2.gz QJICKZZEXZJGSM-CABCVRRESA-N 2 1 335.452 -0.277 20 30 EBEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000889434375 584686825 /nfs/dbraw/zinc/68/68/25/584686825.db2.gz QJICKZZEXZJGSM-CABCVRRESA-N 2 1 335.452 -0.277 20 30 EBEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000889434375 584686828 /nfs/dbraw/zinc/68/68/28/584686828.db2.gz QJICKZZEXZJGSM-CABCVRRESA-N 2 1 335.452 -0.277 20 30 EBEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000889434375 584686830 /nfs/dbraw/zinc/68/68/30/584686830.db2.gz QJICKZZEXZJGSM-CABCVRRESA-N 2 1 335.452 -0.277 20 30 EBEDMP C[NH+]=C(NCCNS(C)(=O)=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000085550585 649972070 /nfs/dbraw/zinc/97/20/70/649972070.db2.gz OTPSJXQMLSNTED-YHWZYXNKSA-N 2 1 331.486 -0.284 20 30 EBEDMP C[NH+]=C(NC[C@H](C)[NH+](C)C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262579476 649987765 /nfs/dbraw/zinc/98/77/65/649987765.db2.gz PZBVMSOLGJSCHP-KBPBESRZSA-N 2 1 325.457 -0.165 20 30 EBEDMP C[NH+]=C(NCC[N@H+](C)C1CC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262580638 649987785 /nfs/dbraw/zinc/98/77/85/649987785.db2.gz QJPUWXWNOVLWPR-OAHLLOKOSA-N 2 1 337.468 -0.021 20 30 EBEDMP C[NH+]=C(NCC[N@@H+](C)C1CC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262580638 649987790 /nfs/dbraw/zinc/98/77/90/649987790.db2.gz QJPUWXWNOVLWPR-OAHLLOKOSA-N 2 1 337.468 -0.021 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000938171130 652116628 /nfs/dbraw/zinc/11/66/28/652116628.db2.gz XMNPKEPPHWWWIR-PMPSAXMXSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000938171130 652116630 /nfs/dbraw/zinc/11/66/30/652116630.db2.gz XMNPKEPPHWWWIR-PMPSAXMXSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000938171130 652116632 /nfs/dbraw/zinc/11/66/32/652116632.db2.gz XMNPKEPPHWWWIR-PMPSAXMXSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000938171130 652116636 /nfs/dbraw/zinc/11/66/36/652116636.db2.gz XMNPKEPPHWWWIR-PMPSAXMXSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000940528711 653201839 /nfs/dbraw/zinc/20/18/39/653201839.db2.gz PTHRQRZDDSVCDO-OAGGEKHMSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000940528711 653201844 /nfs/dbraw/zinc/20/18/44/653201844.db2.gz PTHRQRZDDSVCDO-OAGGEKHMSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000940528711 653201850 /nfs/dbraw/zinc/20/18/50/653201850.db2.gz PTHRQRZDDSVCDO-OAGGEKHMSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000940528711 653201854 /nfs/dbraw/zinc/20/18/54/653201854.db2.gz PTHRQRZDDSVCDO-OAGGEKHMSA-N 2 1 332.448 -0.247 20 30 EBEDMP CC#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000958076628 722301351 /nfs/dbraw/zinc/30/13/51/722301351.db2.gz ITMGCBGSJVAQOA-ZBFHGGJFSA-N 2 1 333.436 -0.510 20 30 EBEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC(N)=O ZINC000960279550 722813530 /nfs/dbraw/zinc/81/35/30/722813530.db2.gz SMGWLIJKPYSFPG-SOLBZPMBSA-N 2 1 340.427 -0.059 20 30 EBEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2c[nH]cn2)C1=O ZINC000961893558 723109328 /nfs/dbraw/zinc/10/93/28/723109328.db2.gz BZFSJZJTXJAQIK-CTASWTNQSA-N 2 1 329.404 -0.215 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)CC1 ZINC000962772325 723321271 /nfs/dbraw/zinc/32/12/71/723321271.db2.gz IKQFJKBDCQNOMH-QXSJWSMHSA-N 2 1 330.432 -0.734 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC000968954964 725133954 /nfs/dbraw/zinc/13/39/54/725133954.db2.gz YWNAZJDXOWCKJQ-RDBSUJKOSA-N 2 1 332.404 -0.920 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC000968954964 725133957 /nfs/dbraw/zinc/13/39/57/725133957.db2.gz YWNAZJDXOWCKJQ-RDBSUJKOSA-N 2 1 332.404 -0.920 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)C[N@H+](CCO)CCO3)CC1 ZINC000972687531 725581477 /nfs/dbraw/zinc/58/14/77/725581477.db2.gz HPSARJQTUXIRTE-SFHVURJKSA-N 2 1 335.448 -0.373 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCO)CCO3)CC1 ZINC000972687531 725581479 /nfs/dbraw/zinc/58/14/79/725581479.db2.gz HPSARJQTUXIRTE-SFHVURJKSA-N 2 1 335.448 -0.373 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cncn2C)C1 ZINC001051660133 735299305 /nfs/dbraw/zinc/29/93/05/735299305.db2.gz MCUSFJWVXZJYBL-SJORKVTESA-N 2 1 345.447 -0.165 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cncn2C)C1 ZINC001051660133 735299308 /nfs/dbraw/zinc/29/93/08/735299308.db2.gz MCUSFJWVXZJYBL-SJORKVTESA-N 2 1 345.447 -0.165 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001051660034 735299455 /nfs/dbraw/zinc/29/94/55/735299455.db2.gz JHXVHEFWOFZPAH-CVEARBPZSA-N 2 1 346.435 -0.770 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001051660034 735299458 /nfs/dbraw/zinc/29/94/58/735299458.db2.gz JHXVHEFWOFZPAH-CVEARBPZSA-N 2 1 346.435 -0.770 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC001051659951 735299561 /nfs/dbraw/zinc/29/95/61/735299561.db2.gz HIGDOHPLCSERCF-SJORKVTESA-N 2 1 345.447 -0.165 20 30 EBEDMP 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332.448 -0.390 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001001998172 809683112 /nfs/dbraw/zinc/68/31/12/809683112.db2.gz DEJUSGFYJIOFQJ-CVEARBPZSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001216758123 810386201 /nfs/dbraw/zinc/38/62/01/810386201.db2.gz XQAOSDJLKXHGKF-UMVBOHGHSA-N 2 1 331.420 -0.234 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787087 811534883 /nfs/dbraw/zinc/53/48/83/811534883.db2.gz JBZKFYVVYFJHKP-USXIJHARSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787087 811534886 /nfs/dbraw/zinc/53/48/86/811534886.db2.gz JBZKFYVVYFJHKP-USXIJHARSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001227454895 811922935 /nfs/dbraw/zinc/92/29/35/811922935.db2.gz XEOWVERRPRMVBN-HZPDHXFCSA-N 2 1 348.447 -0.820 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001227454895 811922942 /nfs/dbraw/zinc/92/29/42/811922942.db2.gz XEOWVERRPRMVBN-HZPDHXFCSA-N 2 1 348.447 -0.820 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N ZINC001230147664 812080576 /nfs/dbraw/zinc/08/05/76/812080576.db2.gz LGMKVDYSWYBNMP-ZIAGYGMSSA-N 2 1 332.408 -0.152 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001263878075 813133026 /nfs/dbraw/zinc/13/30/26/813133026.db2.gz KRPJUOAGYLTCGJ-VGWMRTNUSA-N 2 1 334.464 -0.050 20 30 EBEDMP C[NH+](C)CCC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CC(=O)NCC#N ZINC001264032353 813143248 /nfs/dbraw/zinc/14/32/48/813143248.db2.gz KLVDCNYUSNPUMA-JONQDZQNSA-N 2 1 347.463 -0.253 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001264566698 813181765 /nfs/dbraw/zinc/18/17/65/813181765.db2.gz DYSRBPQHYCBTFW-PMPSAXMXSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001265613104 813350879 /nfs/dbraw/zinc/35/08/79/813350879.db2.gz IPBZNECDLIXRCV-KBPBESRZSA-N 2 1 349.435 -0.893 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001265613104 813350886 /nfs/dbraw/zinc/35/08/86/813350886.db2.gz IPBZNECDLIXRCV-KBPBESRZSA-N 2 1 349.435 -0.893 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001265819479 813378439 /nfs/dbraw/zinc/37/84/39/813378439.db2.gz LIWVVBWVOCECRE-ZIAGYGMSSA-N 2 1 326.441 -0.554 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001265819479 813378447 /nfs/dbraw/zinc/37/84/47/813378447.db2.gz LIWVVBWVOCECRE-ZIAGYGMSSA-N 2 1 326.441 -0.554 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001265819479 813378454 /nfs/dbraw/zinc/37/84/54/813378454.db2.gz LIWVVBWVOCECRE-ZIAGYGMSSA-N 2 1 326.441 -0.554 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001265819479 813378461 /nfs/dbraw/zinc/37/84/61/813378461.db2.gz LIWVVBWVOCECRE-ZIAGYGMSSA-N 2 1 326.441 -0.554 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001266731270 813655072 /nfs/dbraw/zinc/65/50/72/813655072.db2.gz XKNJSNCIPFQFRX-CVEARBPZSA-N 2 1 333.436 -0.610 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001266731270 813655078 /nfs/dbraw/zinc/65/50/78/813655078.db2.gz XKNJSNCIPFQFRX-CVEARBPZSA-N 2 1 333.436 -0.610 20 30 EBEDMP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266897279 813694912 /nfs/dbraw/zinc/69/49/12/813694912.db2.gz MFCJVLQOPKZZMV-CABCVRRESA-N 2 1 335.452 -0.061 20 30 EBEDMP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266897279 813694916 /nfs/dbraw/zinc/69/49/16/813694916.db2.gz MFCJVLQOPKZZMV-CABCVRRESA-N 2 1 335.452 -0.061 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001267212116 813789004 /nfs/dbraw/zinc/78/90/04/813789004.db2.gz LCGPJRXMYSITQY-QWHCGFSZSA-N 2 1 339.440 -0.471 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001267212116 813789008 /nfs/dbraw/zinc/78/90/08/813789008.db2.gz LCGPJRXMYSITQY-QWHCGFSZSA-N 2 1 339.440 -0.471 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001267212116 813789011 /nfs/dbraw/zinc/78/90/11/813789011.db2.gz LCGPJRXMYSITQY-QWHCGFSZSA-N 2 1 339.440 -0.471 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001267212116 813789017 /nfs/dbraw/zinc/78/90/17/813789017.db2.gz LCGPJRXMYSITQY-QWHCGFSZSA-N 2 1 339.440 -0.471 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CCN1C(=O)CNC1=O ZINC001267242978 813799000 /nfs/dbraw/zinc/79/90/00/813799000.db2.gz FGOCUWAHWIYVQI-AWEZNQCLSA-N 2 1 349.435 -0.926 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CCN1C(=O)CNC1=O ZINC001267242978 813799006 /nfs/dbraw/zinc/79/90/06/813799006.db2.gz FGOCUWAHWIYVQI-AWEZNQCLSA-N 2 1 349.435 -0.926 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CCN1C(=O)CNC1=O ZINC001267242978 813799014 /nfs/dbraw/zinc/79/90/14/813799014.db2.gz FGOCUWAHWIYVQI-AWEZNQCLSA-N 2 1 349.435 -0.926 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CCN1C(=O)CNC1=O ZINC001267242978 813799019 /nfs/dbraw/zinc/79/90/19/813799019.db2.gz FGOCUWAHWIYVQI-AWEZNQCLSA-N 2 1 349.435 -0.926 20 30 EBEDMP N#CCNC(=O)C[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001267325466 813847382 /nfs/dbraw/zinc/84/73/82/813847382.db2.gz IBGQUDSXWLWDBK-HNNXBMFYSA-N 2 1 333.436 -0.451 20 30 EBEDMP N#CCNC(=O)C[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001267325466 813847395 /nfs/dbraw/zinc/84/73/95/813847395.db2.gz IBGQUDSXWLWDBK-HNNXBMFYSA-N 2 1 333.436 -0.451 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]Cc2nnnn2C)CC1 ZINC001267831168 814052300 /nfs/dbraw/zinc/05/23/00/814052300.db2.gz MLEVLACOGABHNE-CQSZACIVSA-N 2 1 333.440 -0.460 20 30 EBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001268752988 814379157 /nfs/dbraw/zinc/37/91/57/814379157.db2.gz SCMXZBLSOALORV-CQSZACIVSA-N 2 1 338.452 -0.717 20 30 EBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001268752988 814379163 /nfs/dbraw/zinc/37/91/63/814379163.db2.gz SCMXZBLSOALORV-CQSZACIVSA-N 2 1 338.452 -0.717 20 30 EBEDMP CC[N@H+](C)CCC(=O)N1CC[C@]2(CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001269739952 815585614 /nfs/dbraw/zinc/58/56/14/815585614.db2.gz AMBSGEKXDJHFRX-KRWDZBQOSA-N 2 1 335.452 -0.108 20 30 EBEDMP CC[N@@H+](C)CCC(=O)N1CC[C@]2(CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001269739952 815585620 /nfs/dbraw/zinc/58/56/20/815585620.db2.gz AMBSGEKXDJHFRX-KRWDZBQOSA-N 2 1 335.452 -0.108 20 30 EBEDMP CC[NH+](C)CCC(=O)N1CC[C@]2(CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001269739952 815585624 /nfs/dbraw/zinc/58/56/24/815585624.db2.gz AMBSGEKXDJHFRX-KRWDZBQOSA-N 2 1 335.452 -0.108 20 30 EBEDMP CC[NH+](C)CCC(=O)N1CC[C@]2(CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001269739952 815585628 /nfs/dbraw/zinc/58/56/28/815585628.db2.gz AMBSGEKXDJHFRX-KRWDZBQOSA-N 2 1 335.452 -0.108 20 30 EBEDMP CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[NH+](CC(=O)NCC#N)CC1 ZINC001270231943 815731413 /nfs/dbraw/zinc/73/14/13/815731413.db2.gz OIUDKWYZBKTCAY-OAHLLOKOSA-N 2 1 347.463 -0.061 20 30 EBEDMP C=CCNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001271208754 816034631 /nfs/dbraw/zinc/03/46/31/816034631.db2.gz JUFLYKGOFGMTBU-RHSMWYFYSA-N 2 1 338.452 -0.817 20 30 EBEDMP C=CCNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001271208754 816034637 /nfs/dbraw/zinc/03/46/37/816034637.db2.gz JUFLYKGOFGMTBU-RHSMWYFYSA-N 2 1 338.452 -0.817 20 30 EBEDMP C=CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001271208754 816034642 /nfs/dbraw/zinc/03/46/42/816034642.db2.gz JUFLYKGOFGMTBU-RHSMWYFYSA-N 2 1 338.452 -0.817 20 30 EBEDMP C=CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001271208754 816034646 /nfs/dbraw/zinc/03/46/46/816034646.db2.gz JUFLYKGOFGMTBU-RHSMWYFYSA-N 2 1 338.452 -0.817 20 30 EBEDMP C=CCNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001271208755 816035901 /nfs/dbraw/zinc/03/59/01/816035901.db2.gz JUFLYKGOFGMTBU-WMLDXEAASA-N 2 1 338.452 -0.817 20 30 EBEDMP C=CCNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001271208755 816035909 /nfs/dbraw/zinc/03/59/09/816035909.db2.gz JUFLYKGOFGMTBU-WMLDXEAASA-N 2 1 338.452 -0.817 20 30 EBEDMP C=CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001271208755 816035915 /nfs/dbraw/zinc/03/59/15/816035915.db2.gz JUFLYKGOFGMTBU-WMLDXEAASA-N 2 1 338.452 -0.817 20 30 EBEDMP C=CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001271208755 816035919 /nfs/dbraw/zinc/03/59/19/816035919.db2.gz JUFLYKGOFGMTBU-WMLDXEAASA-N 2 1 338.452 -0.817 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC001271911718 816249389 /nfs/dbraw/zinc/24/93/89/816249389.db2.gz IZHDAUCLZCBHOB-HOCLYGCPSA-N 2 1 349.479 -0.872 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC001271911718 816249395 /nfs/dbraw/zinc/24/93/95/816249395.db2.gz IZHDAUCLZCBHOB-HOCLYGCPSA-N 2 1 349.479 -0.872 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC001271911719 816249803 /nfs/dbraw/zinc/24/98/03/816249803.db2.gz IZHDAUCLZCBHOB-ZBFHGGJFSA-N 2 1 349.479 -0.872 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC001271911719 816249808 /nfs/dbraw/zinc/24/98/08/816249808.db2.gz IZHDAUCLZCBHOB-ZBFHGGJFSA-N 2 1 349.479 -0.872 20 30 EBEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CCN2CC(=O)NCC#N ZINC001272015659 816291145 /nfs/dbraw/zinc/29/11/45/816291145.db2.gz KKRGTXADSYXXSQ-QLFBSQMISA-N 2 1 333.436 -0.214 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001086390123 816316171 /nfs/dbraw/zinc/31/61/71/816316171.db2.gz CGMQIWHDOQFEIO-FPCVCCKLSA-N 2 1 332.448 -0.201 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001086390123 816316178 /nfs/dbraw/zinc/31/61/78/816316178.db2.gz CGMQIWHDOQFEIO-FPCVCCKLSA-N 2 1 332.448 -0.201 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001086390487 816316750 /nfs/dbraw/zinc/31/67/50/816316750.db2.gz XAORQOZTPHFLCC-FPCVCCKLSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001086390487 816316757 /nfs/dbraw/zinc/31/67/57/816316757.db2.gz XAORQOZTPHFLCC-FPCVCCKLSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001087998123 816601315 /nfs/dbraw/zinc/60/13/15/816601315.db2.gz SFEGDPZQWYXLQA-IKGGRYGDSA-N 2 1 346.475 -0.048 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001087998123 816601320 /nfs/dbraw/zinc/60/13/20/816601320.db2.gz SFEGDPZQWYXLQA-IKGGRYGDSA-N 2 1 346.475 -0.048 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001087998123 816601326 /nfs/dbraw/zinc/60/13/26/816601326.db2.gz SFEGDPZQWYXLQA-IKGGRYGDSA-N 2 1 346.475 -0.048 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001087998123 816601331 /nfs/dbraw/zinc/60/13/31/816601331.db2.gz SFEGDPZQWYXLQA-IKGGRYGDSA-N 2 1 346.475 -0.048 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](C[C@H](O)COC)C[C@H]32)CC1 ZINC001276751574 817467284 /nfs/dbraw/zinc/46/72/84/817467284.db2.gz UCKPKUZFYOPECZ-XLAORIBOSA-N 2 1 349.475 -0.367 20 30 EBEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001278718186 817797166 /nfs/dbraw/zinc/79/71/66/817797166.db2.gz ISELFFWHGXKOKY-CQSZACIVSA-N 2 1 338.452 -0.362 20 30 EBEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001279416444 817929171 /nfs/dbraw/zinc/92/91/71/817929171.db2.gz SEUAKVMTQHRWFD-GEEKYZPCSA-N 2 1 347.463 -0.111 20 30 EBEDMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001279416444 817929174 /nfs/dbraw/zinc/92/91/74/817929174.db2.gz SEUAKVMTQHRWFD-GEEKYZPCSA-N 2 1 347.463 -0.111 20 30 EBEDMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001279416444 817929179 /nfs/dbraw/zinc/92/91/79/817929179.db2.gz SEUAKVMTQHRWFD-GEEKYZPCSA-N 2 1 347.463 -0.111 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001279585458 817956261 /nfs/dbraw/zinc/95/62/61/817956261.db2.gz BNUSTIJACQKEOF-JKSUJKDBSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001279585458 817956267 /nfs/dbraw/zinc/95/62/67/817956267.db2.gz BNUSTIJACQKEOF-JKSUJKDBSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001281193010 818071716 /nfs/dbraw/zinc/07/17/16/818071716.db2.gz PPGZRPHMVKKWJT-KRWDZBQOSA-N 2 1 338.452 -0.981 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001281702900 818265672 /nfs/dbraw/zinc/26/56/72/818265672.db2.gz ZDOHABSXNLSWHV-QWHCGFSZSA-N 2 1 339.440 -0.423 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001281702901 818266212 /nfs/dbraw/zinc/26/62/12/818266212.db2.gz ZDOHABSXNLSWHV-STQMWFEESA-N 2 1 339.440 -0.423 20 30 EBEDMP C#CCC[NH+]1CC(N2C[C@H](NC(=O)C3CC[NH+](C)CC3)CC2=O)C1 ZINC001094776765 818451595 /nfs/dbraw/zinc/45/15/95/818451595.db2.gz FNNNHIFQLSDTQD-OAHLLOKOSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCC[NH+]1CC(N2C[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2=O)C1 ZINC001094808159 818498893 /nfs/dbraw/zinc/49/88/93/818498893.db2.gz IENLZYBCPYFSOS-HUUCEWRRSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCC[NH+]1CC(N2C[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC001094808159 818498898 /nfs/dbraw/zinc/49/88/98/818498898.db2.gz IENLZYBCPYFSOS-HUUCEWRRSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](O)C1 ZINC001099893095 819848064 /nfs/dbraw/zinc/84/80/64/819848064.db2.gz UMEUKVMEKKENIL-HZPDHXFCSA-N 2 1 337.464 -0.081 20 30 EBEDMP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[NH+](CC#CCOC)C[C@H]1O ZINC001099899200 819865587 /nfs/dbraw/zinc/86/55/87/819865587.db2.gz OGXFSQJQUNFRGN-LSDHHAIUSA-N 2 1 325.453 -0.082 20 30 EBEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[NH+](CC#CCOC)C[C@H]1O ZINC001099899200 819865598 /nfs/dbraw/zinc/86/55/98/819865598.db2.gz OGXFSQJQUNFRGN-LSDHHAIUSA-N 2 1 325.453 -0.082 20 30 EBEDMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[N@H+](CC#CCOC)C[C@H]1O ZINC001099899200 819865611 /nfs/dbraw/zinc/86/56/11/819865611.db2.gz OGXFSQJQUNFRGN-LSDHHAIUSA-N 2 1 325.453 -0.082 20 30 EBEDMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CC#CCOC)C[C@H]1O ZINC001099899200 819865626 /nfs/dbraw/zinc/86/56/26/819865626.db2.gz OGXFSQJQUNFRGN-LSDHHAIUSA-N 2 1 325.453 -0.082 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001100415353 820410919 /nfs/dbraw/zinc/41/09/19/820410919.db2.gz MBKMDQFGEFJCLD-GPANFISMSA-N 2 1 330.432 -0.682 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001100415353 820410923 /nfs/dbraw/zinc/41/09/23/820410923.db2.gz MBKMDQFGEFJCLD-GPANFISMSA-N 2 1 330.432 -0.682 20 30 EBEDMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NCC#N)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001101243446 820734151 /nfs/dbraw/zinc/73/41/51/820734151.db2.gz DBYXJKPDVYYFJU-ADAWSYLGSA-N 2 1 347.463 -0.253 20 30 EBEDMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NCC#N)C[C@@]3(C)C2)CC[N@H+]1C ZINC001101243446 820734163 /nfs/dbraw/zinc/73/41/63/820734163.db2.gz DBYXJKPDVYYFJU-ADAWSYLGSA-N 2 1 347.463 -0.253 20 30 EBEDMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)NCC#N)C[C@@]3(C)C2)CC[NH+]1C ZINC001101243446 820734172 /nfs/dbraw/zinc/73/41/72/820734172.db2.gz DBYXJKPDVYYFJU-ADAWSYLGSA-N 2 1 347.463 -0.253 20 30 EBEDMP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@@]3(C)C2)CC[NH+]1C ZINC001101243446 820734181 /nfs/dbraw/zinc/73/41/81/820734181.db2.gz DBYXJKPDVYYFJU-ADAWSYLGSA-N 2 1 347.463 -0.253 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243564 820734511 /nfs/dbraw/zinc/73/45/11/820734511.db2.gz MWMVYEOPEYUETM-NNFUDEMPSA-N 2 1 346.475 -0.144 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243564 820734519 /nfs/dbraw/zinc/73/45/19/820734519.db2.gz MWMVYEOPEYUETM-NNFUDEMPSA-N 2 1 346.475 -0.144 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243564 820734525 /nfs/dbraw/zinc/73/45/25/820734525.db2.gz MWMVYEOPEYUETM-NNFUDEMPSA-N 2 1 346.475 -0.144 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@@]2(C)C1 ZINC001101270684 820741498 /nfs/dbraw/zinc/74/14/98/820741498.db2.gz VZDSWQSJWWXSHY-VXNCWWDNSA-N 2 1 349.475 -0.128 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](C[C@@H](O)COC)C[C@@]2(C)C1 ZINC001101270684 820741506 /nfs/dbraw/zinc/74/15/06/820741506.db2.gz VZDSWQSJWWXSHY-VXNCWWDNSA-N 2 1 349.475 -0.128 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](C[C@@H](O)COC)C[C@@]2(C)C1 ZINC001101270684 820741515 /nfs/dbraw/zinc/74/15/15/820741515.db2.gz VZDSWQSJWWXSHY-VXNCWWDNSA-N 2 1 349.475 -0.128 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](C[C@@H](O)COC)C[C@@]2(C)C1 ZINC001101270684 820741524 /nfs/dbraw/zinc/74/15/24/820741524.db2.gz VZDSWQSJWWXSHY-VXNCWWDNSA-N 2 1 349.475 -0.128 20 30 EBEDMP CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1)[NH+](C)C ZINC001101353619 820764345 /nfs/dbraw/zinc/76/43/45/820764345.db2.gz BCCVPUSPCSEKPW-KYJSFNMBSA-N 2 1 349.479 -0.007 20 30 EBEDMP CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1)[NH+](C)C ZINC001101353619 820764351 /nfs/dbraw/zinc/76/43/51/820764351.db2.gz BCCVPUSPCSEKPW-KYJSFNMBSA-N 2 1 349.479 -0.007 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579409 821161022 /nfs/dbraw/zinc/16/10/22/821161022.db2.gz WFIKGZKDNDFVFV-BZUAXINKSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103719181 821344344 /nfs/dbraw/zinc/34/43/44/821344344.db2.gz UAQMZCCCXGKAQP-OAGGEKHMSA-N 2 1 334.464 -0.238 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001103719181 821344349 /nfs/dbraw/zinc/34/43/49/821344349.db2.gz UAQMZCCCXGKAQP-OAGGEKHMSA-N 2 1 334.464 -0.238 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001103719181 821344360 /nfs/dbraw/zinc/34/43/60/821344360.db2.gz UAQMZCCCXGKAQP-OAGGEKHMSA-N 2 1 334.464 -0.238 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103647165 821337971 /nfs/dbraw/zinc/33/79/71/821337971.db2.gz XDAAALKHPGKUHX-HZPDHXFCSA-N 2 1 346.475 -0.094 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC)C1 ZINC001104306308 821452183 /nfs/dbraw/zinc/45/21/83/821452183.db2.gz WZKHFSLHKRPJHT-OAGGEKHMSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC)C1 ZINC001104306308 821452186 /nfs/dbraw/zinc/45/21/86/821452186.db2.gz WZKHFSLHKRPJHT-OAGGEKHMSA-N 2 1 334.464 -0.096 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001104421175 821497180 /nfs/dbraw/zinc/49/71/80/821497180.db2.gz GHRISALLTXTJLH-UKRRQHHQSA-N 2 1 346.435 -0.095 20 30 EBEDMP COCC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001316745668 821842942 /nfs/dbraw/zinc/84/29/42/821842942.db2.gz IOECSCVWAUEHRQ-MRXNPFEDSA-N 2 1 325.453 -0.127 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCNC(=O)NC(C)C)C1 ZINC001317059813 821989340 /nfs/dbraw/zinc/98/93/40/821989340.db2.gz PWBBAYSYVGSXNB-HOTGVXAUSA-N 2 1 349.479 -0.018 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCNC(=O)NC(C)C)C1 ZINC001317059813 821989348 /nfs/dbraw/zinc/98/93/48/821989348.db2.gz PWBBAYSYVGSXNB-HOTGVXAUSA-N 2 1 349.479 -0.018 20 30 EBEDMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001317186500 822030539 /nfs/dbraw/zinc/03/05/39/822030539.db2.gz QSZKBIFLIJUEKJ-QLFBSQMISA-N 2 1 335.452 -0.063 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001317341620 822087934 /nfs/dbraw/zinc/08/79/34/822087934.db2.gz BDSOHIZFNQKRIX-UKRRQHHQSA-N 2 1 331.420 -0.232 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001317478147 822126269 /nfs/dbraw/zinc/12/62/69/822126269.db2.gz DCMMTWXDVYWWAK-ZBFHGGJFSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001317478147 822126275 /nfs/dbraw/zinc/12/62/75/822126275.db2.gz DCMMTWXDVYWWAK-ZBFHGGJFSA-N 2 1 334.464 -0.096 20 30 EBEDMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)CC[N@H+]1C ZINC001106148061 822192160 /nfs/dbraw/zinc/19/21/60/822192160.db2.gz FPHHOMYJOKYFGI-KBUPBQIOSA-N 2 1 335.452 -0.350 20 30 EBEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433677 828619002 /nfs/dbraw/zinc/61/90/02/828619002.db2.gz LOBBOARJRUOQJS-XHSDSOJGSA-N 2 1 348.451 -0.226 20 30 EBEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433677 828619007 /nfs/dbraw/zinc/61/90/07/828619007.db2.gz LOBBOARJRUOQJS-XHSDSOJGSA-N 2 1 348.451 -0.226 20 30 EBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433677 828619011 /nfs/dbraw/zinc/61/90/11/828619011.db2.gz LOBBOARJRUOQJS-XHSDSOJGSA-N 2 1 348.451 -0.226 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NCCCOC ZINC001129790660 828670281 /nfs/dbraw/zinc/67/02/81/828670281.db2.gz GCZDDQSVGMUFAV-CABCVRRESA-N 2 1 338.452 -0.669 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NCCCOC ZINC001129790660 828670283 /nfs/dbraw/zinc/67/02/83/828670283.db2.gz GCZDDQSVGMUFAV-CABCVRRESA-N 2 1 338.452 -0.669 20 30 EBEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123297 828736301 /nfs/dbraw/zinc/73/63/01/828736301.db2.gz MUSWUZPBQPOTFJ-OAGGEKHMSA-N 2 1 348.451 -0.226 20 30 EBEDMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001111908417 825337883 /nfs/dbraw/zinc/33/78/83/825337883.db2.gz XMCCGEZURXNSJK-YOEHRIQHSA-N 2 1 335.452 -0.061 20 30 EBEDMP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001111908417 825337886 /nfs/dbraw/zinc/33/78/86/825337886.db2.gz XMCCGEZURXNSJK-YOEHRIQHSA-N 2 1 335.452 -0.061 20 30 EBEDMP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001114403746 826235877 /nfs/dbraw/zinc/23/58/77/826235877.db2.gz XSMPCZXHTZNSNU-LJIGWXMPSA-N 2 1 347.463 -0.350 20 30 EBEDMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001114403746 826235883 /nfs/dbraw/zinc/23/58/83/826235883.db2.gz XSMPCZXHTZNSNU-LJIGWXMPSA-N 2 1 347.463 -0.350 20 30 EBEDMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001114403746 826235888 /nfs/dbraw/zinc/23/58/88/826235888.db2.gz XSMPCZXHTZNSNU-LJIGWXMPSA-N 2 1 347.463 -0.350 20 30 EBEDMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001114403746 826235893 /nfs/dbraw/zinc/23/58/93/826235893.db2.gz XSMPCZXHTZNSNU-LJIGWXMPSA-N 2 1 347.463 -0.350 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCOC)C[C@H]21 ZINC001114421574 826241745 /nfs/dbraw/zinc/24/17/45/826241745.db2.gz QHVNDWIPCAHJNQ-VVLHAWIVSA-N 2 1 335.448 -0.207 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCOC)C[C@H]21 ZINC001114421574 826241751 /nfs/dbraw/zinc/24/17/51/826241751.db2.gz QHVNDWIPCAHJNQ-VVLHAWIVSA-N 2 1 335.448 -0.207 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCOCCOC)C[C@H]21 ZINC001114421574 826241759 /nfs/dbraw/zinc/24/17/59/826241759.db2.gz QHVNDWIPCAHJNQ-VVLHAWIVSA-N 2 1 335.448 -0.207 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCOCCOC)C[C@H]21 ZINC001114421574 826241764 /nfs/dbraw/zinc/24/17/64/826241764.db2.gz QHVNDWIPCAHJNQ-VVLHAWIVSA-N 2 1 335.448 -0.207 20 30 EBEDMP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001114730822 826325215 /nfs/dbraw/zinc/32/52/15/826325215.db2.gz JUGBZTRVWCACPK-TWMKSMIVSA-N 2 1 335.448 -0.208 20 30 EBEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001114730822 826325222 /nfs/dbraw/zinc/32/52/22/826325222.db2.gz JUGBZTRVWCACPK-TWMKSMIVSA-N 2 1 335.448 -0.208 20 30 EBEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001114730822 826325227 /nfs/dbraw/zinc/32/52/27/826325227.db2.gz JUGBZTRVWCACPK-TWMKSMIVSA-N 2 1 335.448 -0.208 20 30 EBEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001114730822 826325234 /nfs/dbraw/zinc/32/52/34/826325234.db2.gz JUGBZTRVWCACPK-TWMKSMIVSA-N 2 1 335.448 -0.208 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CCC ZINC001115156423 826434387 /nfs/dbraw/zinc/43/43/87/826434387.db2.gz NUGQHJSNTZBLJW-LJIGWXMPSA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CCC ZINC001115156423 826434388 /nfs/dbraw/zinc/43/43/88/826434388.db2.gz NUGQHJSNTZBLJW-LJIGWXMPSA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CCC ZINC001115156423 826434389 /nfs/dbraw/zinc/43/43/89/826434389.db2.gz NUGQHJSNTZBLJW-LJIGWXMPSA-N 2 1 334.464 -0.097 20 30 EBEDMP N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCCC1 ZINC001115338379 826512104 /nfs/dbraw/zinc/51/21/04/826512104.db2.gz JXLFJKXLNYIUFE-HWWDLCQESA-N 2 1 347.463 -0.061 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCCC1 ZINC001115338379 826512111 /nfs/dbraw/zinc/51/21/11/826512111.db2.gz JXLFJKXLNYIUFE-HWWDLCQESA-N 2 1 347.463 -0.061 20 30 EBEDMP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC([NH2+]CC(=O)NCC#N)C3)CC[N@H+]1C ZINC001121134170 827303506 /nfs/dbraw/zinc/30/35/06/827303506.db2.gz WGZUHEOTKQATKO-LLHKYXTOSA-N 2 1 347.463 -0.017 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001183361545 833288156 /nfs/dbraw/zinc/28/81/56/833288156.db2.gz ZPQYOEYVCTVJNL-MJBXVCDLSA-N 2 1 349.435 -0.881 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001183361545 833288159 /nfs/dbraw/zinc/28/81/59/833288159.db2.gz ZPQYOEYVCTVJNL-MJBXVCDLSA-N 2 1 349.435 -0.881 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001183354177 833288201 /nfs/dbraw/zinc/28/82/01/833288201.db2.gz SWKGEKNYRWGMGG-CVEARBPZSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001183354177 833288204 /nfs/dbraw/zinc/28/82/04/833288204.db2.gz SWKGEKNYRWGMGG-CVEARBPZSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001183361030 833288329 /nfs/dbraw/zinc/28/83/29/833288329.db2.gz CWFBMAULFHZQLV-IMJJTQAJSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001183361030 833288331 /nfs/dbraw/zinc/28/83/31/833288331.db2.gz CWFBMAULFHZQLV-IMJJTQAJSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130555871 828881881 /nfs/dbraw/zinc/88/18/81/828881881.db2.gz NWSPMFPPMONRRU-UAGQMJEPSA-N 2 1 345.447 -0.342 20 30 EBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130555871 828881893 /nfs/dbraw/zinc/88/18/93/828881893.db2.gz NWSPMFPPMONRRU-UAGQMJEPSA-N 2 1 345.447 -0.342 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001185137148 833347705 /nfs/dbraw/zinc/34/77/05/833347705.db2.gz RLMOAPONJZPDFH-HUUCEWRRSA-N 2 1 338.452 -0.412 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001185137148 833347707 /nfs/dbraw/zinc/34/77/07/833347707.db2.gz RLMOAPONJZPDFH-HUUCEWRRSA-N 2 1 338.452 -0.412 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001185992743 833382383 /nfs/dbraw/zinc/38/23/83/833382383.db2.gz CDXMFASDJJESAJ-CQSZACIVSA-N 2 1 331.420 -0.054 20 30 EBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC12CCOCC2 ZINC001186318814 833396579 /nfs/dbraw/zinc/39/65/79/833396579.db2.gz ABAVOFXNDBNKTL-HZPDHXFCSA-N 2 1 335.448 -0.205 20 30 EBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC12CCOCC2 ZINC001186318814 833396582 /nfs/dbraw/zinc/39/65/82/833396582.db2.gz ABAVOFXNDBNKTL-HZPDHXFCSA-N 2 1 335.448 -0.205 20 30 EBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC12CCOCC2 ZINC001186318813 833396617 /nfs/dbraw/zinc/39/66/17/833396617.db2.gz ABAVOFXNDBNKTL-HOTGVXAUSA-N 2 1 335.448 -0.205 20 30 EBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC12CCOCC2 ZINC001186318813 833396618 /nfs/dbraw/zinc/39/66/18/833396618.db2.gz ABAVOFXNDBNKTL-HOTGVXAUSA-N 2 1 335.448 -0.205 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886489 829545018 /nfs/dbraw/zinc/54/50/18/829545018.db2.gz OJALZYGRKSGXPW-STQMWFEESA-N 2 1 339.440 -0.566 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001132978509 829567063 /nfs/dbraw/zinc/56/70/63/829567063.db2.gz UEVZPEAJQGCPLS-DZGCQCFKSA-N 2 1 346.435 -0.095 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001133865425 829690168 /nfs/dbraw/zinc/69/01/68/829690168.db2.gz CTESAPUVNCZVSQ-GXTWGEPZSA-N 2 1 331.420 -0.402 20 30 EBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001135321558 829945104 /nfs/dbraw/zinc/94/51/04/829945104.db2.gz PHFKAWXMWQBDRT-UHFFFAOYSA-N 2 1 326.441 -0.503 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001135325881 829945575 /nfs/dbraw/zinc/94/55/75/829945575.db2.gz JXNVIMCXIGOXMY-HNNXBMFYSA-N 2 1 340.468 -0.115 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146711789 830222444 /nfs/dbraw/zinc/22/24/44/830222444.db2.gz XRYLFUYREHEEOF-GFCCVEGCSA-N 2 1 327.429 -0.566 20 30 EBEDMP C[N@@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)C2 ZINC001147787811 830412970 /nfs/dbraw/zinc/41/29/70/830412970.db2.gz IDURQMBFJGRHMU-AWEZNQCLSA-N 2 1 333.436 -0.355 20 30 EBEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)C2 ZINC001147787811 830412972 /nfs/dbraw/zinc/41/29/72/830412972.db2.gz IDURQMBFJGRHMU-AWEZNQCLSA-N 2 1 333.436 -0.355 20 30 EBEDMP C[NH+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC#N)C2 ZINC001147787811 830412973 /nfs/dbraw/zinc/41/29/73/830412973.db2.gz IDURQMBFJGRHMU-AWEZNQCLSA-N 2 1 333.436 -0.355 20 30 EBEDMP C[NH+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC#N)C2 ZINC001147787811 830412975 /nfs/dbraw/zinc/41/29/75/830412975.db2.gz IDURQMBFJGRHMU-AWEZNQCLSA-N 2 1 333.436 -0.355 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151073931 831022777 /nfs/dbraw/zinc/02/27/77/831022777.db2.gz SPTANQJNEAPSMR-VXGBXAGGSA-N 2 1 325.413 -0.956 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001160209194 831824404 /nfs/dbraw/zinc/82/44/04/831824404.db2.gz CLIBYCZAZXQTBT-AWEZNQCLSA-N 2 1 349.435 -0.878 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001160209194 831824411 /nfs/dbraw/zinc/82/44/11/831824411.db2.gz CLIBYCZAZXQTBT-AWEZNQCLSA-N 2 1 349.435 -0.878 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CC=C(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001161716177 831986375 /nfs/dbraw/zinc/98/63/75/831986375.db2.gz FSGAOBPOZZDLMI-UHFFFAOYSA-N 2 1 345.447 -0.140 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1CC=C(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001161716177 831986378 /nfs/dbraw/zinc/98/63/78/831986378.db2.gz FSGAOBPOZZDLMI-UHFFFAOYSA-N 2 1 345.447 -0.140 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001350226531 832134733 /nfs/dbraw/zinc/13/47/33/832134733.db2.gz BTUXPXNHMLSXEZ-HNNXBMFYSA-N 2 1 332.448 -0.198 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001350226531 832134738 /nfs/dbraw/zinc/13/47/38/832134738.db2.gz BTUXPXNHMLSXEZ-HNNXBMFYSA-N 2 1 332.448 -0.198 20 30 EBEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001165764454 832235864 /nfs/dbraw/zinc/23/58/64/832235864.db2.gz QPJSBYIQTPWWHD-CQSZACIVSA-N 2 1 335.452 -0.013 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001166202445 832252614 /nfs/dbraw/zinc/25/26/14/832252614.db2.gz OTWOBHVTGIVXAE-UHFFFAOYSA-N 2 1 332.408 -0.293 20 30 EBEDMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001166687013 832279899 /nfs/dbraw/zinc/27/98/99/832279899.db2.gz GUYOWMZAVLJJIM-MRXNPFEDSA-N 2 1 341.431 -0.065 20 30 EBEDMP C[N@H+]1CC[C@@H](CC(=O)NCCC2(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001167736737 832369509 /nfs/dbraw/zinc/36/95/09/832369509.db2.gz IIRBNWNBESRHCR-AWEZNQCLSA-N 2 1 335.452 -0.156 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168441071 832420021 /nfs/dbraw/zinc/42/00/21/832420021.db2.gz AGTMAWXUWUATCV-AWEZNQCLSA-N 2 1 326.441 -0.505 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001179150474 832956800 /nfs/dbraw/zinc/95/68/00/832956800.db2.gz PHUAYVNOHDWFLX-KKUMJFAQSA-N 2 1 331.420 -0.092 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001188145981 834013423 /nfs/dbraw/zinc/01/34/23/834013423.db2.gz UPVXLUUZFZOPAZ-CYBMUJFWSA-N 2 1 339.440 -0.471 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188964187 834110603 /nfs/dbraw/zinc/11/06/03/834110603.db2.gz YOWASQMZSQJTDD-OWCLPIDISA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188964187 834110609 /nfs/dbraw/zinc/11/06/09/834110609.db2.gz YOWASQMZSQJTDD-OWCLPIDISA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188964186 834110793 /nfs/dbraw/zinc/11/07/93/834110793.db2.gz YOWASQMZSQJTDD-HRCADAONSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188964186 834110796 /nfs/dbraw/zinc/11/07/96/834110796.db2.gz YOWASQMZSQJTDD-HRCADAONSA-N 2 1 334.464 -0.001 20 30 EBEDMP C[N@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191136589 834421191 /nfs/dbraw/zinc/42/11/91/834421191.db2.gz MPBLEPISBZWDEF-AWEZNQCLSA-N 2 1 333.436 -0.213 20 30 EBEDMP C[N@@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191136589 834421192 /nfs/dbraw/zinc/42/11/92/834421192.db2.gz MPBLEPISBZWDEF-AWEZNQCLSA-N 2 1 333.436 -0.213 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193498549 834891050 /nfs/dbraw/zinc/89/10/50/834891050.db2.gz FMJCTXGZEFVJLN-CABCVRRESA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)C[C@@H](O)COC)C2)CC1 ZINC001194247325 835059844 /nfs/dbraw/zinc/05/98/44/835059844.db2.gz WPHNZEUKNIGOMY-DLBZAZTESA-N 2 1 337.464 -0.128 20 30 EBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320261 835537276 /nfs/dbraw/zinc/53/72/76/835537276.db2.gz VWDIOHDGYVXWJE-HZPDHXFCSA-N 2 1 341.452 -0.539 20 30 EBEDMP C[NH+](C)Cc1cc(C(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)no1 ZINC001201385442 836138195 /nfs/dbraw/zinc/13/81/95/836138195.db2.gz CCRZZIYWCOJOGO-UHFFFAOYSA-N 2 1 348.407 -0.430 20 30 EBEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203641019 836456768 /nfs/dbraw/zinc/45/67/68/836456768.db2.gz MBIDHJOELQMIBX-ZIAGYGMSSA-N 2 1 335.452 -0.015 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001203709655 836465736 /nfs/dbraw/zinc/46/57/36/836465736.db2.gz VWVVZITYUSEUMN-CYBMUJFWSA-N 2 1 331.420 -0.090 20 30 EBEDMP C[N@H+]1CC[C@@H](CC(=O)N2CCC(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001206872577 836686343 /nfs/dbraw/zinc/68/63/43/836686343.db2.gz KNAUEDMPPMXIOU-HNNXBMFYSA-N 2 1 335.452 -0.204 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001206930168 836715310 /nfs/dbraw/zinc/71/53/10/836715310.db2.gz VYIOERBMPTVONV-UHFFFAOYSA-N 2 1 331.420 -0.231 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208435208 837039455 /nfs/dbraw/zinc/03/94/55/837039455.db2.gz XBDZRSLYSBFERZ-RBSFLKMASA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208435208 837039460 /nfs/dbraw/zinc/03/94/60/837039460.db2.gz XBDZRSLYSBFERZ-RBSFLKMASA-N 2 1 334.464 -0.097 20 30 EBEDMP CC1(C)CC[N@@H+](CC(=O)N2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001209680374 837190224 /nfs/dbraw/zinc/19/02/24/837190224.db2.gz YTYQVKJMLOGHDO-AWEZNQCLSA-N 2 1 335.452 -0.061 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]21 ZINC001320112700 838232535 /nfs/dbraw/zinc/23/25/35/838232535.db2.gz FGAUFFQOLPDIGG-LSDHHAIUSA-N 2 1 333.436 -0.355 20 30 EBEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001325736490 839923313 /nfs/dbraw/zinc/92/33/13/839923313.db2.gz PUFQUQGQSKQNQE-OWCLPIDISA-N 2 1 347.463 -0.111 20 30 EBEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001325736490 839923318 /nfs/dbraw/zinc/92/33/18/839923318.db2.gz PUFQUQGQSKQNQE-OWCLPIDISA-N 2 1 347.463 -0.111 20 30 EBEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001325736490 839923322 /nfs/dbraw/zinc/92/33/22/839923322.db2.gz PUFQUQGQSKQNQE-OWCLPIDISA-N 2 1 347.463 -0.111 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(CO)CCC[N@H+](CCOC)C2)CC1 ZINC001325866393 839963601 /nfs/dbraw/zinc/96/36/01/839963601.db2.gz WIACWWZBJRYMKB-GOSISDBHSA-N 2 1 337.464 -0.079 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3CC(=O)NCC#N)C1 ZINC001325914570 839973483 /nfs/dbraw/zinc/97/34/83/839973483.db2.gz BHKGKKXAJIVGOI-RRFJBIMHSA-N 2 1 333.436 -0.357 20 30 EBEDMP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CC(=O)NCC#N)C1 ZINC001325914570 839973494 /nfs/dbraw/zinc/97/34/94/839973494.db2.gz BHKGKKXAJIVGOI-RRFJBIMHSA-N 2 1 333.436 -0.357 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CC(=O)NCC#N)C1 ZINC001325914570 839973502 /nfs/dbraw/zinc/97/35/02/839973502.db2.gz BHKGKKXAJIVGOI-RRFJBIMHSA-N 2 1 333.436 -0.357 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(=O)NCC#N)C1 ZINC001325914570 839973512 /nfs/dbraw/zinc/97/35/12/839973512.db2.gz BHKGKKXAJIVGOI-RRFJBIMHSA-N 2 1 333.436 -0.357 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(=O)NCC#N)C1 ZINC001325914570 839973523 /nfs/dbraw/zinc/97/35/23/839973523.db2.gz BHKGKKXAJIVGOI-RRFJBIMHSA-N 2 1 333.436 -0.357 20 30 EBEDMP C[N@@H+](CC(=O)NCC#N)C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001328780582 840749465 /nfs/dbraw/zinc/74/94/65/840749465.db2.gz NNGBKBLHUVGRAI-LSDHHAIUSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[N@H+](CC(=O)NCC#N)C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001328780582 840749476 /nfs/dbraw/zinc/74/94/76/840749476.db2.gz NNGBKBLHUVGRAI-LSDHHAIUSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[NH+](CC(=O)NCC#N)C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001328780582 840749484 /nfs/dbraw/zinc/74/94/84/840749484.db2.gz NNGBKBLHUVGRAI-LSDHHAIUSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[NH+](CC(=O)NCC#N)C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001328780582 840749497 /nfs/dbraw/zinc/74/94/97/840749497.db2.gz NNGBKBLHUVGRAI-LSDHHAIUSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[N@H+]1CC[C@H](CC(=O)N2CC3(C2)CCCN(CC(=O)NCC#N)C3)C1 ZINC001330512556 841224843 /nfs/dbraw/zinc/22/48/43/841224843.db2.gz WOIGZISLWHNSNZ-OAHLLOKOSA-N 2 1 347.463 -0.108 20 30 EBEDMP C[N@@H+]1CC[C@H](CC(=O)N2CC3(C2)CCC[NH+](CC(=O)NCC#N)C3)C1 ZINC001330512556 841224852 /nfs/dbraw/zinc/22/48/52/841224852.db2.gz WOIGZISLWHNSNZ-OAHLLOKOSA-N 2 1 347.463 -0.108 20 30 EBEDMP C[N@H+]1CC[C@H](CC(=O)N2CC3(C2)CCC[NH+](CC(=O)NCC#N)C3)C1 ZINC001330512556 841224856 /nfs/dbraw/zinc/22/48/56/841224856.db2.gz WOIGZISLWHNSNZ-OAHLLOKOSA-N 2 1 347.463 -0.108 20 30 EBEDMP C[NH+]1CC[C@H](CC(=O)N2CC3(C2)CCC[N@H+](CC(=O)NCC#N)C3)C1 ZINC001330512556 841224865 /nfs/dbraw/zinc/22/48/65/841224865.db2.gz WOIGZISLWHNSNZ-OAHLLOKOSA-N 2 1 347.463 -0.108 20 30 EBEDMP C[NH+]1CC[C@H](CC(=O)N2CC3(C2)CCC[N@@H+](CC(=O)NCC#N)C3)C1 ZINC001330512556 841224869 /nfs/dbraw/zinc/22/48/69/841224869.db2.gz WOIGZISLWHNSNZ-OAHLLOKOSA-N 2 1 347.463 -0.108 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCc1ccns1 ZINC001331724487 841470793 /nfs/dbraw/zinc/47/07/93/841470793.db2.gz GAYYKIYWGPHZPX-ZFWWWQNUSA-N 2 1 336.461 -0.150 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCc1ccns1 ZINC001331724487 841470795 /nfs/dbraw/zinc/47/07/95/841470795.db2.gz GAYYKIYWGPHZPX-ZFWWWQNUSA-N 2 1 336.461 -0.150 20 30 EBEDMP OCC1(CO)CC[NH+](CC#CC[NH+]2CCC(CO)(CO)CC2)CC1 ZINC001333487964 841892421 /nfs/dbraw/zinc/89/24/21/841892421.db2.gz RFFNGZLDPIVPMC-UHFFFAOYSA-N 2 1 340.464 -0.877 20 30 EBEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC001349849413 843943754 /nfs/dbraw/zinc/94/37/54/843943754.db2.gz MPBHENHUTZAAJZ-HNNXBMFYSA-N 2 1 335.452 -0.501 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC001349849413 843943761 /nfs/dbraw/zinc/94/37/61/843943761.db2.gz MPBHENHUTZAAJZ-HNNXBMFYSA-N 2 1 335.452 -0.501 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001691097636 1125832730 /nfs/dbraw/zinc/83/27/30/1125832730.db2.gz PEFFFUWDHNUJCF-ZDUSSCGKSA-N 2 1 339.440 -0.470 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001691097636 1125832731 /nfs/dbraw/zinc/83/27/31/1125832731.db2.gz PEFFFUWDHNUJCF-ZDUSSCGKSA-N 2 1 339.440 -0.470 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001691166976 1125840298 /nfs/dbraw/zinc/84/02/98/1125840298.db2.gz HAZLPFPVHFMXGQ-KLHDSHLOSA-N 2 1 334.464 -0.050 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C2CC2)[C@@H]2CCNC2=O)CC1 ZINC001481201286 1125938150 /nfs/dbraw/zinc/93/81/50/1125938150.db2.gz XCYHSXOQZONTRY-MRXNPFEDSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C2CC2)[C@@H]2CCNC2=O)CC1 ZINC001481201286 1125938151 /nfs/dbraw/zinc/93/81/51/1125938151.db2.gz XCYHSXOQZONTRY-MRXNPFEDSA-N 2 1 332.448 -0.199 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001481232435 1125948432 /nfs/dbraw/zinc/94/84/32/1125948432.db2.gz ZBFDKXYETXQSQL-CHWSQXEVSA-N 2 1 339.440 -0.614 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001482143147 1126086650 /nfs/dbraw/zinc/08/66/50/1126086650.db2.gz NLIMGRXKMNUPTH-HIFRSBDPSA-N 2 1 345.447 -0.155 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001482760613 1126279724 /nfs/dbraw/zinc/27/97/24/1126279724.db2.gz CSNWVJQZVCQOTB-MELADBBJSA-N 2 1 326.441 -0.914 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001691607509 1126325691 /nfs/dbraw/zinc/32/56/91/1126325691.db2.gz WUKNKBWHVPRNBC-LSDHHAIUSA-N 2 1 331.420 -0.185 20 30 EBEDMP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCOCCO)CC1 ZINC001483989535 1126496059 /nfs/dbraw/zinc/49/60/59/1126496059.db2.gz NGDMLQNAANKCOE-MRXNPFEDSA-N 2 1 337.464 -0.127 20 30 EBEDMP C=CCNC(=O)C[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001484866464 1126644531 /nfs/dbraw/zinc/64/45/31/1126644531.db2.gz NQOVPAIDWQPFBJ-CQSZACIVSA-N 2 1 338.452 -0.362 20 30 EBEDMP C[N@@H+](CC(=O)NCC#N)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001485766725 1126828751 /nfs/dbraw/zinc/82/87/51/1126828751.db2.gz POUKSNMYFNVVKB-AWEZNQCLSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[NH+](CC(=O)NCC#N)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001485766725 1126828755 /nfs/dbraw/zinc/82/87/55/1126828755.db2.gz POUKSNMYFNVVKB-AWEZNQCLSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[NH+](CC(=O)NCC#N)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001485766725 1126828760 /nfs/dbraw/zinc/82/87/60/1126828760.db2.gz POUKSNMYFNVVKB-AWEZNQCLSA-N 2 1 335.452 -0.109 20 30 EBEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001486359513 1127153963 /nfs/dbraw/zinc/15/39/63/1127153963.db2.gz YEPWCVCOGJEISC-HOTGVXAUSA-N 2 1 325.453 -0.271 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001488755768 1128838886 /nfs/dbraw/zinc/83/88/86/1128838886.db2.gz YFLACEWBBROYLQ-KFWWJZLASA-N 2 1 331.420 -0.186 20 30 EBEDMP N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001490902079 1130233136 /nfs/dbraw/zinc/23/31/36/1130233136.db2.gz BWAHMMMQSKCUCJ-TUVASFSCSA-N 2 1 333.436 -0.120 20 30 EBEDMP C[NH+]1CC[C@H](CC(=O)NCC#CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000635787936 377122045 /nfs/dbraw/zinc/12/20/45/377122045.db2.gz WYVNBGVYWYIROB-HZPDHXFCSA-N 2 1 334.464 -0.094 20 30 EBEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261789484 379222758 /nfs/dbraw/zinc/22/27/58/379222758.db2.gz QSVBYSMVXMDVMQ-UHFFFAOYSA-N 2 1 344.423 -0.151 20 30 EBEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000491623206 379607076 /nfs/dbraw/zinc/60/70/76/379607076.db2.gz IAIIVOPMABSCIG-OAHLLOKOSA-N 2 1 337.468 -0.029 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174729476 381066808 /nfs/dbraw/zinc/06/68/08/381066808.db2.gz WJIAAYMBCTWGSC-AWEZNQCLSA-N 2 1 325.457 -0.044 20 30 EBEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCN1CCOCC1(C)C ZINC000329413544 381597231 /nfs/dbraw/zinc/59/72/31/381597231.db2.gz CJOHPOYRHUCREL-CQSZACIVSA-N 2 1 327.473 -0.153 20 30 EBEDMP CN1CCN(C)[C@H](CNC(=O)NCCN2CCOCC2(C)C)C1 ZINC000329413544 381597243 /nfs/dbraw/zinc/59/72/43/381597243.db2.gz CJOHPOYRHUCREL-CQSZACIVSA-N 2 1 327.473 -0.153 20 30 EBEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000330193141 381712006 /nfs/dbraw/zinc/71/20/06/381712006.db2.gz OCMYLGUINQLDCN-HZPDHXFCSA-N 2 1 339.484 -0.200 20 30 EBEDMP COC1(CO)CC[NH+](CC#CC[NH+]2CCC(CO)(OC)CC2)CC1 ZINC000671243820 545949238 /nfs/dbraw/zinc/94/92/38/545949238.db2.gz LSUFMSCHGLIPBN-UHFFFAOYSA-N 2 1 340.464 -0.064 20 30 EBEDMP OC[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H](CO)[C@H]2CO)[C@@H]1CO ZINC000879364867 584551861 /nfs/dbraw/zinc/55/18/61/584551861.db2.gz UXPYOSNPFSLIFX-WNRNVDISSA-N 2 1 340.464 -0.880 20 30 EBEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000073776312 649969287 /nfs/dbraw/zinc/96/92/87/649969287.db2.gz MDHQPYINBRFHDA-GJZGRUSLSA-N 2 1 337.468 -0.163 20 30 EBEDMP C[NH+]=C(NCCN1CCN(C(C)=O)CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083096707 649972096 /nfs/dbraw/zinc/97/20/96/649972096.db2.gz URPOTJKZEBJFOY-HNNXBMFYSA-N 2 1 336.484 -0.448 20 30 EBEDMP C[NH+]=C(NCCN1CCN(C(C)=O)CC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083096707 649972098 /nfs/dbraw/zinc/97/20/98/649972098.db2.gz URPOTJKZEBJFOY-HNNXBMFYSA-N 2 1 336.484 -0.448 20 30 EBEDMP CN1CCC[N@@H+](CCCNC(=[NH2+])NCCCN2CCOCC2)CC1 ZINC000303971398 649992911 /nfs/dbraw/zinc/99/29/11/649992911.db2.gz DPRIQZARDNBQAL-UHFFFAOYSA-N 2 1 340.516 -0.359 20 30 EBEDMP C[N@@H+]1CCCN(CCCNC(=[NH2+])NCCCN2CCOCC2)CC1 ZINC000303971398 649992913 /nfs/dbraw/zinc/99/29/13/649992913.db2.gz DPRIQZARDNBQAL-UHFFFAOYSA-N 2 1 340.516 -0.359 20 30 EBEDMP C[N@H+]1CCCN(CCCNC(=[NH2+])NCCCN2CCOCC2)CC1 ZINC000303971398 649992916 /nfs/dbraw/zinc/99/29/16/649992916.db2.gz DPRIQZARDNBQAL-UHFFFAOYSA-N 2 1 340.516 -0.359 20 30 EBEDMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCN1CCOCC1 ZINC000303988967 649993110 /nfs/dbraw/zinc/99/31/10/649993110.db2.gz XBTUAZXOSWQEQJ-HNNXBMFYSA-N 2 1 327.473 -0.276 20 30 EBEDMP CS(=O)(=O)CC1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000304644122 649993873 /nfs/dbraw/zinc/99/38/73/649993873.db2.gz DMWOJIRBOVSHFJ-UHFFFAOYSA-N 2 1 332.470 -0.562 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C#N)C1 ZINC000912535973 650207039 /nfs/dbraw/zinc/20/70/39/650207039.db2.gz PRVYXVGCMVCPFL-ZNMIVQPWSA-N 2 1 333.436 -0.547 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](C#N)C2)C1 ZINC000912535973 650207042 /nfs/dbraw/zinc/20/70/42/650207042.db2.gz PRVYXVGCMVCPFL-ZNMIVQPWSA-N 2 1 333.436 -0.547 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](C#N)C2)C1 ZINC000912535973 650207044 /nfs/dbraw/zinc/20/70/44/650207044.db2.gz PRVYXVGCMVCPFL-ZNMIVQPWSA-N 2 1 333.436 -0.547 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000941245570 653466322 /nfs/dbraw/zinc/46/63/22/653466322.db2.gz SGMDMALKJITXSE-CVEARBPZSA-N 2 1 332.448 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000941245570 653466324 /nfs/dbraw/zinc/46/63/24/653466324.db2.gz SGMDMALKJITXSE-CVEARBPZSA-N 2 1 332.448 -0.103 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@H]1CCNC1=O)C2 ZINC000963962022 723511756 /nfs/dbraw/zinc/51/17/56/723511756.db2.gz VXDYIIRSWMOADY-CKTFTNLWSA-N 2 1 344.459 -0.011 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@H]1CCNC1=O)C2 ZINC000963962022 723511757 /nfs/dbraw/zinc/51/17/57/723511757.db2.gz VXDYIIRSWMOADY-CKTFTNLWSA-N 2 1 344.459 -0.011 20 30 EBEDMP C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC000994752002 726072651 /nfs/dbraw/zinc/07/26/51/726072651.db2.gz OYJHVBFXKVPYNN-LPHOPBHVSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC000994752002 726072655 /nfs/dbraw/zinc/07/26/55/726072655.db2.gz OYJHVBFXKVPYNN-LPHOPBHVSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC000994752002 726072658 /nfs/dbraw/zinc/07/26/58/726072658.db2.gz OYJHVBFXKVPYNN-LPHOPBHVSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC000994752002 726072662 /nfs/dbraw/zinc/07/26/62/726072662.db2.gz OYJHVBFXKVPYNN-LPHOPBHVSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC000994752002 726072665 /nfs/dbraw/zinc/07/26/65/726072665.db2.gz OYJHVBFXKVPYNN-LPHOPBHVSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001001492515 726608715 /nfs/dbraw/zinc/60/87/15/726608715.db2.gz RGBMWPIWHWEEKW-JKSUJKDBSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001001492515 726608716 /nfs/dbraw/zinc/60/87/16/726608716.db2.gz RGBMWPIWHWEEKW-JKSUJKDBSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[NH+]2CCCC2)C1 ZINC001002836252 726650034 /nfs/dbraw/zinc/65/00/34/726650034.db2.gz SSSHGRUOLCRCRK-INIZCTEOSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[NH+]2CCCC2)C1 ZINC001002836252 726650035 /nfs/dbraw/zinc/65/00/35/726650035.db2.gz SSSHGRUOLCRCRK-INIZCTEOSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3nnnn3C)C2)CC1 ZINC001019815156 728998714 /nfs/dbraw/zinc/99/87/14/728998714.db2.gz AHCWNSYLJHNPRO-ZFWWWQNUSA-N 2 1 345.451 -0.193 20 30 EBEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1=O ZINC001021928385 729347449 /nfs/dbraw/zinc/34/74/49/729347449.db2.gz PHFUSCKFEPAHKH-BARDWOONSA-N 2 1 336.436 -0.659 20 30 EBEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC001021928385 729347450 /nfs/dbraw/zinc/34/74/50/729347450.db2.gz PHFUSCKFEPAHKH-BARDWOONSA-N 2 1 336.436 -0.659 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](CC(N)=O)[C@@H]3C2)CC1 ZINC001042368400 732418794 /nfs/dbraw/zinc/41/87/94/732418794.db2.gz QCFLXTOZFZDJPQ-GOEBONIOSA-N 2 1 332.448 -0.260 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CC(N)=O)[C@@H]3C2)CC1 ZINC001042368400 732418796 /nfs/dbraw/zinc/41/87/96/732418796.db2.gz QCFLXTOZFZDJPQ-GOEBONIOSA-N 2 1 332.448 -0.260 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)CC1 ZINC001045896086 733782487 /nfs/dbraw/zinc/78/24/87/733782487.db2.gz UPGNBOKSPBYDFK-CVEARBPZSA-N 2 1 332.448 -0.118 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)CC1 ZINC001045896086 733782490 /nfs/dbraw/zinc/78/24/90/733782490.db2.gz UPGNBOKSPBYDFK-CVEARBPZSA-N 2 1 332.448 -0.118 20 30 EBEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001047384483 734167379 /nfs/dbraw/zinc/16/73/79/734167379.db2.gz SZHGWPHYGFBDNF-OWSLCNJRSA-N 2 1 349.475 -0.130 20 30 EBEDMP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001047384483 734167382 /nfs/dbraw/zinc/16/73/82/734167382.db2.gz SZHGWPHYGFBDNF-OWSLCNJRSA-N 2 1 349.475 -0.130 20 30 EBEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001047463632 734207693 /nfs/dbraw/zinc/20/76/93/734207693.db2.gz LJRLGNYRCUWPID-XJADACSNSA-N 2 1 333.432 -0.624 20 30 EBEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001047463632 734207695 /nfs/dbraw/zinc/20/76/95/734207695.db2.gz LJRLGNYRCUWPID-XJADACSNSA-N 2 1 333.432 -0.624 20 30 EBEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001047463632 734207700 /nfs/dbraw/zinc/20/77/00/734207700.db2.gz LJRLGNYRCUWPID-XJADACSNSA-N 2 1 333.432 -0.624 20 30 EBEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001047463632 734207704 /nfs/dbraw/zinc/20/77/04/734207704.db2.gz LJRLGNYRCUWPID-XJADACSNSA-N 2 1 333.432 -0.624 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001048869954 734547912 /nfs/dbraw/zinc/54/79/12/734547912.db2.gz IXQBKPNQKGZVAE-YVSFHVDLSA-N 2 1 344.459 -0.295 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001048869954 734547916 /nfs/dbraw/zinc/54/79/16/734547916.db2.gz IXQBKPNQKGZVAE-YVSFHVDLSA-N 2 1 344.459 -0.295 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001048869954 734547921 /nfs/dbraw/zinc/54/79/21/734547921.db2.gz IXQBKPNQKGZVAE-YVSFHVDLSA-N 2 1 344.459 -0.295 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001048869954 734547923 /nfs/dbraw/zinc/54/79/23/734547923.db2.gz IXQBKPNQKGZVAE-YVSFHVDLSA-N 2 1 344.459 -0.295 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H](C)C(N)=O)CC2 ZINC001050549904 734923724 /nfs/dbraw/zinc/92/37/24/734923724.db2.gz GDPUGIOIHIPMRM-GJZGRUSLSA-N 2 1 332.448 -0.118 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H](C)C(N)=O)CC2 ZINC001050549904 734923726 /nfs/dbraw/zinc/92/37/26/734923726.db2.gz GDPUGIOIHIPMRM-GJZGRUSLSA-N 2 1 332.448 -0.118 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)CC1 ZINC001076604531 742509758 /nfs/dbraw/zinc/50/97/58/742509758.db2.gz KNZJOAMQTWEOGA-GVDBMIGSSA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]32)CC1 ZINC000979085056 805126730 /nfs/dbraw/zinc/12/67/30/805126730.db2.gz FAMLPQURDGLJTL-QSPRXWTASA-N 2 1 346.475 -0.240 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC000983902868 807117310 /nfs/dbraw/zinc/11/73/10/807117310.db2.gz YZFYNDXIFYSLOP-FPCVCCKLSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC000983902868 807117313 /nfs/dbraw/zinc/11/73/13/807117313.db2.gz YZFYNDXIFYSLOP-FPCVCCKLSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)[C@@H]2CCNC2=O)CC1 ZINC000985476386 807516332 /nfs/dbraw/zinc/51/63/32/807516332.db2.gz RVGQDWKELURHQX-CVEARBPZSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC000985476386 807516335 /nfs/dbraw/zinc/51/63/35/807516335.db2.gz RVGQDWKELURHQX-CVEARBPZSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)[C@@H]2CCNC2=O)CC1 ZINC000985476386 807516338 /nfs/dbraw/zinc/51/63/38/807516338.db2.gz RVGQDWKELURHQX-CVEARBPZSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)[C@@H]2CCNC2=O)CC1 ZINC000985476386 807516341 /nfs/dbraw/zinc/51/63/41/807516341.db2.gz RVGQDWKELURHQX-CVEARBPZSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001215155538 810311048 /nfs/dbraw/zinc/31/10/48/810311048.db2.gz BBDBXNCJAJDPJS-VHDGCEQUSA-N 2 1 331.420 -0.234 20 30 EBEDMP N#Cc1ccccc1C(=O)N1CCC(NC(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001220914769 811291229 /nfs/dbraw/zinc/29/12/29/811291229.db2.gz AIRFWZKQXFDXKJ-HNNXBMFYSA-N 2 1 329.404 -0.045 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949992 811568234 /nfs/dbraw/zinc/56/82/34/811568234.db2.gz QJSSYBBUXWJTRY-ARFHVFGLSA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949992 811568239 /nfs/dbraw/zinc/56/82/39/811568239.db2.gz QJSSYBBUXWJTRY-ARFHVFGLSA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001222054198 811588622 /nfs/dbraw/zinc/58/86/22/811588622.db2.gz FUNKOCILLLGWGT-ARFHVFGLSA-N 2 1 334.464 -0.003 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001222054198 811588626 /nfs/dbraw/zinc/58/86/26/811588626.db2.gz FUNKOCILLLGWGT-ARFHVFGLSA-N 2 1 334.464 -0.003 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222054198 811588629 /nfs/dbraw/zinc/58/86/29/811588629.db2.gz FUNKOCILLLGWGT-ARFHVFGLSA-N 2 1 334.464 -0.003 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222054198 811588634 /nfs/dbraw/zinc/58/86/34/811588634.db2.gz FUNKOCILLLGWGT-ARFHVFGLSA-N 2 1 334.464 -0.003 20 30 EBEDMP C[NH+](C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC#N)[C@H]2C1)C1CC1 ZINC001222891542 811666485 /nfs/dbraw/zinc/66/64/85/811666485.db2.gz DSBKNVGMSQXEIO-KMFMINBZSA-N 2 1 347.463 -0.111 20 30 EBEDMP C[NH+](C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@H]2C1)C1CC1 ZINC001222891542 811666492 /nfs/dbraw/zinc/66/64/92/811666492.db2.gz DSBKNVGMSQXEIO-KMFMINBZSA-N 2 1 347.463 -0.111 20 30 EBEDMP C[NH+](C)CC#CCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001256579002 812734942 /nfs/dbraw/zinc/73/49/42/812734942.db2.gz HBXIPYAITVKMRQ-UHFFFAOYSA-N 2 1 349.479 -0.253 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001264466373 813176883 /nfs/dbraw/zinc/17/68/83/813176883.db2.gz XPOAWQFFDJDNFP-HZMVEIRTSA-N 2 1 337.464 -0.034 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001264466373 813176890 /nfs/dbraw/zinc/17/68/90/813176890.db2.gz XPOAWQFFDJDNFP-HZMVEIRTSA-N 2 1 337.464 -0.034 20 30 EBEDMP C[N@@H+](CC(=O)NCC#N)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001264745420 813205356 /nfs/dbraw/zinc/20/53/56/813205356.db2.gz FGDAIVWLNXVGHJ-CABCVRRESA-N 2 1 335.452 -0.109 20 30 EBEDMP C[N@H+](CC(=O)NCC#N)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001264745420 813205358 /nfs/dbraw/zinc/20/53/58/813205358.db2.gz FGDAIVWLNXVGHJ-CABCVRRESA-N 2 1 335.452 -0.109 20 30 EBEDMP C[NH+](CC(=O)NCC#N)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001264745420 813205366 /nfs/dbraw/zinc/20/53/66/813205366.db2.gz FGDAIVWLNXVGHJ-CABCVRRESA-N 2 1 335.452 -0.109 20 30 EBEDMP C[NH+](CC(=O)NCC#N)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001264745420 813205369 /nfs/dbraw/zinc/20/53/69/813205369.db2.gz FGDAIVWLNXVGHJ-CABCVRRESA-N 2 1 335.452 -0.109 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC)[C@H]1CCC(=O)NC1=O ZINC001266050881 813447204 /nfs/dbraw/zinc/44/72/04/813447204.db2.gz JADNHSYPLAFMOP-GJZGRUSLSA-N 2 1 348.447 -0.283 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC)[C@H]1CCC(=O)NC1=O ZINC001266050881 813447208 /nfs/dbraw/zinc/44/72/08/813447208.db2.gz JADNHSYPLAFMOP-GJZGRUSLSA-N 2 1 348.447 -0.283 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)[C@H]1CCC(=O)NC1=O ZINC001266050881 813447214 /nfs/dbraw/zinc/44/72/14/813447214.db2.gz JADNHSYPLAFMOP-GJZGRUSLSA-N 2 1 348.447 -0.283 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)[C@H]1CCC(=O)NC1=O ZINC001266050881 813447216 /nfs/dbraw/zinc/44/72/16/813447216.db2.gz JADNHSYPLAFMOP-GJZGRUSLSA-N 2 1 348.447 -0.283 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C[C@@H](O)COC)C2)CC1 ZINC001266252157 813492855 /nfs/dbraw/zinc/49/28/55/813492855.db2.gz NYTZUWNZQCKSIK-IAGOWNOFSA-N 2 1 337.464 -0.081 20 30 EBEDMP N#CCNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001266382102 813556493 /nfs/dbraw/zinc/55/64/93/813556493.db2.gz GYWBLCANQKQQHW-AWEZNQCLSA-N 2 1 333.436 -0.307 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2C[C@H](O)COC)CC1 ZINC001266494915 813584848 /nfs/dbraw/zinc/58/48/48/813584848.db2.gz CNLRRDRJXLROCE-IRXDYDNUSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001267225705 813794845 /nfs/dbraw/zinc/79/48/45/813794845.db2.gz ZCCNMKDZLZORGO-AWEZNQCLSA-N 2 1 338.452 -0.717 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001267225705 813794851 /nfs/dbraw/zinc/79/48/51/813794851.db2.gz ZCCNMKDZLZORGO-AWEZNQCLSA-N 2 1 338.452 -0.717 20 30 EBEDMP CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C1)[NH+](C)C ZINC001267593306 813944360 /nfs/dbraw/zinc/94/43/60/813944360.db2.gz HWBUDLCFFKGOCY-HOCLYGCPSA-N 2 1 337.468 -0.007 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001267823060 814050471 /nfs/dbraw/zinc/05/04/71/814050471.db2.gz XRFBVMHWMGTJQX-RDBSUJKOSA-N 2 1 349.435 -0.752 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001267823060 814050475 /nfs/dbraw/zinc/05/04/75/814050475.db2.gz XRFBVMHWMGTJQX-RDBSUJKOSA-N 2 1 349.435 -0.752 20 30 EBEDMP C=CCN1CC[C@H]([NH2+]CCCN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001268785477 814384996 /nfs/dbraw/zinc/38/49/96/814384996.db2.gz AUPNXQLPLRNRRS-GJZGRUSLSA-N 2 1 338.452 -0.458 20 30 EBEDMP C=CCN1CC[C@H]([NH2+]CCCN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001268785477 814385005 /nfs/dbraw/zinc/38/50/05/814385005.db2.gz AUPNXQLPLRNRRS-GJZGRUSLSA-N 2 1 338.452 -0.458 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001269800219 815609256 /nfs/dbraw/zinc/60/92/56/815609256.db2.gz ZFLWLFHVCKCZMW-CVEARBPZSA-N 2 1 334.464 -0.094 20 30 EBEDMP C[N@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CC(=O)NCC#N)CCCC2)C1 ZINC001270812063 815901063 /nfs/dbraw/zinc/90/10/63/815901063.db2.gz KFSMMPYEASGYON-AWEZNQCLSA-N 2 1 335.452 -0.013 20 30 EBEDMP C=CCNC(=O)C[NH+]1CC[C@](O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001271208752 816035408 /nfs/dbraw/zinc/03/54/08/816035408.db2.gz JUFLYKGOFGMTBU-PBHICJAKSA-N 2 1 338.452 -0.817 20 30 EBEDMP C=CCNC(=O)C[NH+]1CC[C@](O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001271208752 816035415 /nfs/dbraw/zinc/03/54/15/816035415.db2.gz JUFLYKGOFGMTBU-PBHICJAKSA-N 2 1 338.452 -0.817 20 30 EBEDMP C=CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001271208752 816035423 /nfs/dbraw/zinc/03/54/23/816035423.db2.gz JUFLYKGOFGMTBU-PBHICJAKSA-N 2 1 338.452 -0.817 20 30 EBEDMP C=CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001271208752 816035428 /nfs/dbraw/zinc/03/54/28/816035428.db2.gz JUFLYKGOFGMTBU-PBHICJAKSA-N 2 1 338.452 -0.817 20 30 EBEDMP COCC#CC[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001271211133 816036796 /nfs/dbraw/zinc/03/67/96/816036796.db2.gz VCIWPDXBNXLQMY-SFHVURJKSA-N 2 1 337.464 -0.079 20 30 EBEDMP CC(C)(C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@@H]2C1)[NH+]1CCCC1 ZINC001271867452 816238941 /nfs/dbraw/zinc/23/89/41/816238941.db2.gz TVVQDRPXXMVOQV-GASCZTMLSA-N 2 1 347.463 -0.109 20 30 EBEDMP CC[C@H](C(=O)N[C@@]1(CO)CCC[N@H+](CC#CCOC)C1)[NH+](C)C ZINC001271987243 816283955 /nfs/dbraw/zinc/28/39/55/816283955.db2.gz GEUNGIZATRUWPH-WBVHZDCISA-N 2 1 325.453 -0.081 20 30 EBEDMP CC[C@H](C(=O)N[C@@]1(CO)CCC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001271987243 816283962 /nfs/dbraw/zinc/28/39/62/816283962.db2.gz GEUNGIZATRUWPH-WBVHZDCISA-N 2 1 325.453 -0.081 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC(=O)NCC#N)C1 ZINC001272222760 816358258 /nfs/dbraw/zinc/35/82/58/816358258.db2.gz AEONRORUNRWVDX-CABCVRRESA-N 2 1 344.419 -0.246 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC(=O)NCC#N)C1 ZINC001272222760 816358263 /nfs/dbraw/zinc/35/82/63/816358263.db2.gz AEONRORUNRWVDX-CABCVRRESA-N 2 1 344.419 -0.246 20 30 EBEDMP C#CCN1C[C@@]2(CC1=O)COCC[N@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001273728254 816743071 /nfs/dbraw/zinc/74/30/71/816743071.db2.gz IMVKWAWAGLMHHG-IBGZPJMESA-N 2 1 348.491 -0.192 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)[C@@H]2C)CC1 ZINC001089059406 816792256 /nfs/dbraw/zinc/79/22/56/816792256.db2.gz KVEWMUVAROJVQB-ZBFHGGJFSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)[C@@H]2C)CC1 ZINC001089059406 816792259 /nfs/dbraw/zinc/79/22/59/816792259.db2.gz KVEWMUVAROJVQB-ZBFHGGJFSA-N 2 1 334.464 -0.001 20 30 EBEDMP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001274967296 817133716 /nfs/dbraw/zinc/13/37/16/817133716.db2.gz BAQZXVSDEXLHOP-GFCCVEGCSA-N 2 1 341.375 -0.385 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)C[C@H](O)COC)CC1 ZINC001276011140 817338366 /nfs/dbraw/zinc/33/83/66/817338366.db2.gz MADJNDGERNDWGI-ZBFHGGJFSA-N 2 1 325.453 -0.225 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ccnc3)C[C@@H]2C1 ZINC001276839571 817482404 /nfs/dbraw/zinc/48/24/04/817482404.db2.gz KLWBMFUHMIVUAT-ARFHVFGLSA-N 2 1 343.431 -0.151 20 30 EBEDMP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@]3(CC[NH+](CC(=O)NCC#N)C3)C2)C1 ZINC001277537567 817597017 /nfs/dbraw/zinc/59/70/17/817597017.db2.gz HIECXAWFWKAMAE-WMLDXEAASA-N 2 1 333.436 -0.498 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@]3(CC[NH+](CC(=O)NCC#N)C3)C2)C1 ZINC001277537567 817597024 /nfs/dbraw/zinc/59/70/24/817597024.db2.gz HIECXAWFWKAMAE-WMLDXEAASA-N 2 1 333.436 -0.498 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@@]3(CC[N@H+](CC(=O)NCC#N)C3)C2)C1 ZINC001277537567 817597029 /nfs/dbraw/zinc/59/70/29/817597029.db2.gz HIECXAWFWKAMAE-WMLDXEAASA-N 2 1 333.436 -0.498 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](CC(=O)NCC#N)C3)C2)C1 ZINC001277537567 817597037 /nfs/dbraw/zinc/59/70/37/817597037.db2.gz HIECXAWFWKAMAE-WMLDXEAASA-N 2 1 333.436 -0.498 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001278004381 817673049 /nfs/dbraw/zinc/67/30/49/817673049.db2.gz AXNWAWYCAZZYRG-LSDHHAIUSA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001278004381 817673055 /nfs/dbraw/zinc/67/30/55/817673055.db2.gz AXNWAWYCAZZYRG-LSDHHAIUSA-N 2 1 336.436 -0.963 20 30 EBEDMP COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001278754996 817810252 /nfs/dbraw/zinc/81/02/52/817810252.db2.gz CPOYLABESQCVDB-HOTGVXAUSA-N 2 1 325.453 -0.082 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001278828552 817855631 /nfs/dbraw/zinc/85/56/31/817855631.db2.gz OQENQZHLXAJNOT-LPHOPBHVSA-N 2 1 349.475 -0.079 20 30 EBEDMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CC#CCOC)C[C@@H]3C2)C1 ZINC001279415805 817927633 /nfs/dbraw/zinc/92/76/33/817927633.db2.gz FDXTWZCOHUSZGO-BBWFWOEESA-N 2 1 335.448 -0.253 20 30 EBEDMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CC#CCOC)C[C@@H]3C2)C1 ZINC001279415805 817927634 /nfs/dbraw/zinc/92/76/34/817927634.db2.gz FDXTWZCOHUSZGO-BBWFWOEESA-N 2 1 335.448 -0.253 20 30 EBEDMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC#CCOC)C[C@@H]3C2)C1 ZINC001279415805 817927638 /nfs/dbraw/zinc/92/76/38/817927638.db2.gz FDXTWZCOHUSZGO-BBWFWOEESA-N 2 1 335.448 -0.253 20 30 EBEDMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CC#CCOC)C[C@@H]3C2)C1 ZINC001279415805 817927642 /nfs/dbraw/zinc/92/76/42/817927642.db2.gz FDXTWZCOHUSZGO-BBWFWOEESA-N 2 1 335.448 -0.253 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001279585457 817956203 /nfs/dbraw/zinc/95/62/03/817956203.db2.gz BNUSTIJACQKEOF-HZPDHXFCSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001279585457 817956208 /nfs/dbraw/zinc/95/62/08/817956208.db2.gz BNUSTIJACQKEOF-HZPDHXFCSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001281328476 818146988 /nfs/dbraw/zinc/14/69/88/818146988.db2.gz AFNQSAXWVSZSEJ-ZACQAIPSSA-N 2 1 344.459 -0.198 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001281328476 818146994 /nfs/dbraw/zinc/14/69/94/818146994.db2.gz AFNQSAXWVSZSEJ-ZACQAIPSSA-N 2 1 344.459 -0.198 20 30 EBEDMP C[C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC(=O)NCC#N ZINC001281674679 818257928 /nfs/dbraw/zinc/25/79/28/818257928.db2.gz IMOXKSAWRZHFJH-ZIAGYGMSSA-N 2 1 335.452 -0.063 20 30 EBEDMP C[C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CC(=O)NCC#N ZINC001281674679 818257933 /nfs/dbraw/zinc/25/79/33/818257933.db2.gz IMOXKSAWRZHFJH-ZIAGYGMSSA-N 2 1 335.452 -0.063 20 30 EBEDMP C#CCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2=O)C1 ZINC001094736211 818390168 /nfs/dbraw/zinc/39/01/68/818390168.db2.gz FRNKAJCLDWKHLV-NVXWUHKLSA-N 2 1 344.459 -0.247 20 30 EBEDMP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[N@H+](C)CC(=O)NCC#N ZINC001282410448 818406165 /nfs/dbraw/zinc/40/61/65/818406165.db2.gz CYXIYACOHCXUJC-CQSZACIVSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[N@@H+](C)CC(=O)NCC#N ZINC001282410448 818406167 /nfs/dbraw/zinc/40/61/67/818406167.db2.gz CYXIYACOHCXUJC-CQSZACIVSA-N 2 1 335.452 -0.061 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001282914522 818527406 /nfs/dbraw/zinc/52/74/06/818527406.db2.gz VSYUWYOKZUNAOV-CABCVRRESA-N 2 1 349.435 -0.301 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCNC2=O)CC1 ZINC001096608103 818857911 /nfs/dbraw/zinc/85/79/11/818857911.db2.gz QHAJVJLMLJUICS-QZWWFDLISA-N 2 1 344.459 -0.058 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCNC2=O)CC1 ZINC001096608103 818857917 /nfs/dbraw/zinc/85/79/17/818857917.db2.gz QHAJVJLMLJUICS-QZWWFDLISA-N 2 1 344.459 -0.058 20 30 EBEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001098374049 819156424 /nfs/dbraw/zinc/15/64/24/819156424.db2.gz SWRCXSZASNYGRR-DLBZAZTESA-N 2 1 335.448 -0.232 20 30 EBEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001098374049 819156430 /nfs/dbraw/zinc/15/64/30/819156430.db2.gz SWRCXSZASNYGRR-DLBZAZTESA-N 2 1 335.448 -0.232 20 30 EBEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001098374049 819156435 /nfs/dbraw/zinc/15/64/35/819156435.db2.gz SWRCXSZASNYGRR-DLBZAZTESA-N 2 1 335.448 -0.232 20 30 EBEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001098532843 819234319 /nfs/dbraw/zinc/23/43/19/819234319.db2.gz HDKRTQLQHNECNF-UHFFFAOYSA-N 2 1 325.453 -0.127 20 30 EBEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001284501883 819258427 /nfs/dbraw/zinc/25/84/27/819258427.db2.gz JXASOXPRGPMXHH-HNNXBMFYSA-N 2 1 325.453 -0.271 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001284938768 819419160 /nfs/dbraw/zinc/41/91/60/819419160.db2.gz XNVKZRRQIBNFTM-HNNXBMFYSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001284938768 819419165 /nfs/dbraw/zinc/41/91/65/819419165.db2.gz XNVKZRRQIBNFTM-HNNXBMFYSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001285371659 819558755 /nfs/dbraw/zinc/55/87/55/819558755.db2.gz NYUOSEJEZIMIIR-CVEARBPZSA-N 2 1 334.464 -0.048 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001285371659 819558760 /nfs/dbraw/zinc/55/87/60/819558760.db2.gz NYUOSEJEZIMIIR-CVEARBPZSA-N 2 1 334.464 -0.048 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001285371659 819558766 /nfs/dbraw/zinc/55/87/66/819558766.db2.gz NYUOSEJEZIMIIR-CVEARBPZSA-N 2 1 334.464 -0.048 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001285371659 819558770 /nfs/dbraw/zinc/55/87/70/819558770.db2.gz NYUOSEJEZIMIIR-CVEARBPZSA-N 2 1 334.464 -0.048 20 30 EBEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001099903212 819882327 /nfs/dbraw/zinc/88/23/27/819882327.db2.gz CCZCREPLZWENEA-JKSUJKDBSA-N 2 1 335.448 -0.184 20 30 EBEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001099903212 819882337 /nfs/dbraw/zinc/88/23/37/819882337.db2.gz CCZCREPLZWENEA-JKSUJKDBSA-N 2 1 335.448 -0.184 20 30 EBEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076299 820171184 /nfs/dbraw/zinc/17/11/84/820171184.db2.gz JDUUCQWYHGKPHF-HUUCEWRRSA-N 2 1 329.441 -0.681 20 30 EBEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001101006418 820647128 /nfs/dbraw/zinc/64/71/28/820647128.db2.gz JCHLUKQIWPEBOW-YMAMQOFZSA-N 2 1 338.452 -0.506 20 30 EBEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001101006418 820647133 /nfs/dbraw/zinc/64/71/33/820647133.db2.gz JCHLUKQIWPEBOW-YMAMQOFZSA-N 2 1 338.452 -0.506 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101363871 820767974 /nfs/dbraw/zinc/76/79/74/820767974.db2.gz DAGSXZIUSCXQBT-FCEWJHQRSA-N 2 1 346.475 -0.142 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101363871 820767979 /nfs/dbraw/zinc/76/79/79/820767979.db2.gz DAGSXZIUSCXQBT-FCEWJHQRSA-N 2 1 346.475 -0.142 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101363871 820767985 /nfs/dbraw/zinc/76/79/85/820767985.db2.gz DAGSXZIUSCXQBT-FCEWJHQRSA-N 2 1 346.475 -0.142 20 30 EBEDMP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3C[NH+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101363980 820768946 /nfs/dbraw/zinc/76/89/46/820768946.db2.gz IZXJKJKMDKQBQC-RKVPGOIHSA-N 2 1 347.463 -0.252 20 30 EBEDMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3C[NH+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101363980 820768951 /nfs/dbraw/zinc/76/89/51/820768951.db2.gz IZXJKJKMDKQBQC-RKVPGOIHSA-N 2 1 347.463 -0.252 20 30 EBEDMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101363980 820768957 /nfs/dbraw/zinc/76/89/57/820768957.db2.gz IZXJKJKMDKQBQC-RKVPGOIHSA-N 2 1 347.463 -0.252 20 30 EBEDMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101363980 820768960 /nfs/dbraw/zinc/76/89/60/820768960.db2.gz IZXJKJKMDKQBQC-RKVPGOIHSA-N 2 1 347.463 -0.252 20 30 EBEDMP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3C[NH+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101363979 820769089 /nfs/dbraw/zinc/76/90/89/820769089.db2.gz IZXJKJKMDKQBQC-DAYGRLMNSA-N 2 1 347.463 -0.252 20 30 EBEDMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3C[NH+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101363979 820769093 /nfs/dbraw/zinc/76/90/93/820769093.db2.gz IZXJKJKMDKQBQC-DAYGRLMNSA-N 2 1 347.463 -0.252 20 30 EBEDMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101363979 820769097 /nfs/dbraw/zinc/76/90/97/820769097.db2.gz IZXJKJKMDKQBQC-DAYGRLMNSA-N 2 1 347.463 -0.252 20 30 EBEDMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101363979 820769101 /nfs/dbraw/zinc/76/91/01/820769101.db2.gz IZXJKJKMDKQBQC-DAYGRLMNSA-N 2 1 347.463 -0.252 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514510 821134119 /nfs/dbraw/zinc/13/41/19/821134119.db2.gz ZREMFFOXVQSAIC-HUUCEWRRSA-N 2 1 332.448 -0.484 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105007952 821569947 /nfs/dbraw/zinc/56/99/47/821569947.db2.gz JRMQSCYRRVRJBI-BZUAXINKSA-N 2 1 334.464 -0.238 20 30 EBEDMP COCC#CCN1CC[NH+](CCCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001316959177 821940585 /nfs/dbraw/zinc/94/05/85/821940585.db2.gz DUUVDTATALLFOX-QGZVFWFLSA-N 2 1 336.480 -0.146 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105977891 822046814 /nfs/dbraw/zinc/04/68/14/822046814.db2.gz CTRKKSLOXWHUFE-KFWWJZLASA-N 2 1 338.452 -0.697 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105977891 822046822 /nfs/dbraw/zinc/04/68/22/822046822.db2.gz CTRKKSLOXWHUFE-KFWWJZLASA-N 2 1 338.452 -0.697 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(=O)NCC=C ZINC001317254163 822049799 /nfs/dbraw/zinc/04/97/99/822049799.db2.gz HGICQXOIJRTXLO-KGLIPLIRSA-N 2 1 349.435 -0.810 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(=O)NCC=C ZINC001317254163 822049810 /nfs/dbraw/zinc/04/98/10/822049810.db2.gz HGICQXOIJRTXLO-KGLIPLIRSA-N 2 1 349.435 -0.810 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001317395965 822099537 /nfs/dbraw/zinc/09/95/37/822099537.db2.gz LRHRBJMXUKETBM-KBPBESRZSA-N 2 1 349.435 -0.880 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001317395965 822099542 /nfs/dbraw/zinc/09/95/42/822099542.db2.gz LRHRBJMXUKETBM-KBPBESRZSA-N 2 1 349.435 -0.880 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001318422840 822311872 /nfs/dbraw/zinc/31/18/72/822311872.db2.gz BSYZXHLFUYAOKL-JYJNAYRXSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001318422840 822311880 /nfs/dbraw/zinc/31/18/80/822311880.db2.gz BSYZXHLFUYAOKL-JYJNAYRXSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001318422840 822311887 /nfs/dbraw/zinc/31/18/87/822311887.db2.gz BSYZXHLFUYAOKL-JYJNAYRXSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001318422840 822311895 /nfs/dbraw/zinc/31/18/95/822311895.db2.gz BSYZXHLFUYAOKL-JYJNAYRXSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC2=O)C1 ZINC001108570184 824380617 /nfs/dbraw/zinc/38/06/17/824380617.db2.gz WVJSISGHIFGJJA-RHSMWYFYSA-N 2 1 334.464 -0.003 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC(F)(F)F ZINC001129775664 828668630 /nfs/dbraw/zinc/66/86/30/828668630.db2.gz QJAFVHXWBWTEFF-NSHDSACASA-N 2 1 334.342 -0.532 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC(F)(F)F ZINC001129775664 828668635 /nfs/dbraw/zinc/66/86/35/828668635.db2.gz QJAFVHXWBWTEFF-NSHDSACASA-N 2 1 334.342 -0.532 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NCCCOC ZINC001129790662 828670663 /nfs/dbraw/zinc/67/06/63/828670663.db2.gz GCZDDQSVGMUFAV-GJZGRUSLSA-N 2 1 338.452 -0.669 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NCCCOC ZINC001129790662 828670669 /nfs/dbraw/zinc/67/06/69/828670669.db2.gz GCZDDQSVGMUFAV-GJZGRUSLSA-N 2 1 338.452 -0.669 20 30 EBEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC#CCOC)[C@@H](n2ccnn2)C1 ZINC001130081186 828728882 /nfs/dbraw/zinc/72/88/82/828728882.db2.gz CHWYFIABDHOGDM-CVEARBPZSA-N 2 1 348.451 -0.389 20 30 EBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001130132669 828737856 /nfs/dbraw/zinc/73/78/56/828737856.db2.gz KGQDZKFWSDUOIN-OWCLPIDISA-N 2 1 346.435 -0.636 20 30 EBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001130132669 828737862 /nfs/dbraw/zinc/73/78/62/828737862.db2.gz KGQDZKFWSDUOIN-OWCLPIDISA-N 2 1 346.435 -0.636 20 30 EBEDMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NCC#N)C3)CC[N@@H+]1C ZINC001111753126 825309543 /nfs/dbraw/zinc/30/95/43/825309543.db2.gz AXZQWIOQMYFMKA-FSZRXZPDSA-N 2 1 347.463 -0.063 20 30 EBEDMP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NCC#N)C3)CC[N@H+]1C ZINC001111753126 825309550 /nfs/dbraw/zinc/30/95/50/825309550.db2.gz AXZQWIOQMYFMKA-FSZRXZPDSA-N 2 1 347.463 -0.063 20 30 EBEDMP 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EBEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125782 826427977 /nfs/dbraw/zinc/42/79/77/826427977.db2.gz BWPDDDNGAYZTTO-TTZDDIAXSA-N 2 1 338.452 -0.698 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001180182694 833053730 /nfs/dbraw/zinc/05/37/30/833053730.db2.gz KSZXVCLHRWZODS-KKUMJFAQSA-N 2 1 336.436 -0.965 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001180182694 833053741 /nfs/dbraw/zinc/05/37/41/833053741.db2.gz KSZXVCLHRWZODS-KKUMJFAQSA-N 2 1 336.436 -0.965 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](O)COC)C[C@H]32)CC1 ZINC001115290664 826496479 /nfs/dbraw/zinc/49/64/79/826496479.db2.gz YJUKFJUCNVOWNB-NCOADZHNSA-N 2 1 335.448 -0.615 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001183353778 833287583 /nfs/dbraw/zinc/28/75/83/833287583.db2.gz AGNHOBXHAOWIJF-CVEARBPZSA-N 2 1 332.448 -0.199 20 30 EBEDMP 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ZINC001147787812 830413080 /nfs/dbraw/zinc/41/30/80/830413080.db2.gz IDURQMBFJGRHMU-CQSZACIVSA-N 2 1 333.436 -0.355 20 30 EBEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)C2 ZINC001147787812 830413084 /nfs/dbraw/zinc/41/30/84/830413084.db2.gz IDURQMBFJGRHMU-CQSZACIVSA-N 2 1 333.436 -0.355 20 30 EBEDMP C[NH+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC#N)C2 ZINC001147787812 830413086 /nfs/dbraw/zinc/41/30/86/830413086.db2.gz IDURQMBFJGRHMU-CQSZACIVSA-N 2 1 333.436 -0.355 20 30 EBEDMP C[NH+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC#N)C2 ZINC001147787812 830413093 /nfs/dbraw/zinc/41/30/93/830413093.db2.gz IDURQMBFJGRHMU-CQSZACIVSA-N 2 1 333.436 -0.355 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)CCc3cncn3C)C2)C1 ZINC001148694636 830529143 /nfs/dbraw/zinc/52/91/43/830529143.db2.gz DPFODUFYFOXVDH-UHFFFAOYSA-N 2 1 343.431 -0.364 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)CCc3cncn3C)C2)C1 ZINC001148694636 830529147 /nfs/dbraw/zinc/52/91/47/830529147.db2.gz 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C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001159917581 831797018 /nfs/dbraw/zinc/79/70/18/831797018.db2.gz ZZOCSMBQUABHNY-KBPBESRZSA-N 2 1 331.420 -0.006 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCS(C)(=O)=O ZINC001160209542 831825213 /nfs/dbraw/zinc/82/52/13/831825213.db2.gz PRBZOGXXELBTOL-AWEZNQCLSA-N 2 1 329.466 -0.385 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCS(C)(=O)=O ZINC001160209542 831825219 /nfs/dbraw/zinc/82/52/19/831825219.db2.gz PRBZOGXXELBTOL-AWEZNQCLSA-N 2 1 329.466 -0.385 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N(CC)CCC#N ZINC001160197805 831825478 /nfs/dbraw/zinc/82/54/78/831825478.db2.gz HKDAMFAOXLDFDO-INIZCTEOSA-N 2 1 347.463 -0.058 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N(CC)CCC#N ZINC001160197805 831825483 /nfs/dbraw/zinc/82/54/83/831825483.db2.gz HKDAMFAOXLDFDO-INIZCTEOSA-N 2 1 347.463 -0.058 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001162679543 832059563 /nfs/dbraw/zinc/05/95/63/832059563.db2.gz YQWCWXVOGKLFPC-CQSZACIVSA-N 2 1 345.447 -0.004 20 30 EBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872088 832069128 /nfs/dbraw/zinc/06/91/28/832069128.db2.gz GJJXYSIGZOBTHT-UUCFBXCCSA-N 2 1 336.436 -0.752 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001166699326 832281494 /nfs/dbraw/zinc/28/14/94/832281494.db2.gz LPRFHFDJBCZKIO-AWEZNQCLSA-N 2 1 331.420 -0.401 20 30 EBEDMP C[N@@H+](CCc1ccccc1)CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001166750702 832286458 /nfs/dbraw/zinc/28/64/58/832286458.db2.gz LOVJSIPOBKWNBU-UHFFFAOYSA-N 2 1 345.447 -0.103 20 30 EBEDMP C[C@H]1CC[N@@H+](CC(=O)NCCC2(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001167232919 832318936 /nfs/dbraw/zinc/31/89/36/832318936.db2.gz UQGPULYCZFQWGY-AWEZNQCLSA-N 2 1 335.452 -0.156 20 30 EBEDMP C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001169982497 832486931 /nfs/dbraw/zinc/48/69/31/832486931.db2.gz LPPMAEMEZNBDHM-UONOGXRCSA-N 2 1 339.440 -0.779 20 30 EBEDMP C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001169982497 832486935 /nfs/dbraw/zinc/48/69/35/832486935.db2.gz LPPMAEMEZNBDHM-UONOGXRCSA-N 2 1 339.440 -0.779 20 30 EBEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1=O ZINC001176644265 832686114 /nfs/dbraw/zinc/68/61/14/832686114.db2.gz NQECEDJSGDUMFW-GJZGRUSLSA-N 2 1 338.452 -0.410 20 30 EBEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1=O ZINC001176644265 832686118 /nfs/dbraw/zinc/68/61/18/832686118.db2.gz NQECEDJSGDUMFW-GJZGRUSLSA-N 2 1 338.452 -0.410 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178981656 832937676 /nfs/dbraw/zinc/93/76/76/832937676.db2.gz AYGZDOMTJRFBSX-CBBWQLFWSA-N 2 1 338.452 -0.413 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178981656 832937681 /nfs/dbraw/zinc/93/76/81/832937681.db2.gz AYGZDOMTJRFBSX-CBBWQLFWSA-N 2 1 338.452 -0.413 20 30 EBEDMP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001179546032 832986908 /nfs/dbraw/zinc/98/69/08/832986908.db2.gz AANZOYOEMLKFTJ-KBPBESRZSA-N 2 1 335.452 -0.063 20 30 EBEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187817827 833969969 /nfs/dbraw/zinc/96/99/69/833969969.db2.gz KGNZAHASERNVAT-LSDHHAIUSA-N 2 1 335.452 -0.109 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187971603 833989964 /nfs/dbraw/zinc/98/99/64/833989964.db2.gz SHNUEXXOOANSJP-MWDXBVQZSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187971603 833989970 /nfs/dbraw/zinc/98/99/70/833989970.db2.gz SHNUEXXOOANSJP-MWDXBVQZSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187971603 833989979 /nfs/dbraw/zinc/98/99/79/833989979.db2.gz SHNUEXXOOANSJP-MWDXBVQZSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187971603 833989988 /nfs/dbraw/zinc/98/99/88/833989988.db2.gz SHNUEXXOOANSJP-MWDXBVQZSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001190246970 834247218 /nfs/dbraw/zinc/24/72/18/834247218.db2.gz ITODWGVNQPELSL-OWCLPIDISA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001190246970 834247228 /nfs/dbraw/zinc/24/72/28/834247228.db2.gz ITODWGVNQPELSL-OWCLPIDISA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001190246970 834247236 /nfs/dbraw/zinc/24/72/36/834247236.db2.gz ITODWGVNQPELSL-OWCLPIDISA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001190246970 834247242 /nfs/dbraw/zinc/24/72/42/834247242.db2.gz ITODWGVNQPELSL-OWCLPIDISA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001190246970 834247251 /nfs/dbraw/zinc/24/72/51/834247251.db2.gz ITODWGVNQPELSL-OWCLPIDISA-N 2 1 334.464 -0.001 20 30 EBEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488061 834887122 /nfs/dbraw/zinc/88/71/22/834887122.db2.gz LMIORPVXZMWSEX-LSDHHAIUSA-N 2 1 340.468 -0.212 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)[C@H](C)C(=O)NC)C2)CC1 ZINC001194246335 835058606 /nfs/dbraw/zinc/05/86/06/835058606.db2.gz LEKYBISKQNUYNE-ZBFHGGJFSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCC=C)C[C@H]2O)CC1 ZINC001199028935 835751910 /nfs/dbraw/zinc/75/19/10/835751910.db2.gz ATZKVCWTPHNDKN-IAGOWNOFSA-N 2 1 335.448 -0.305 20 30 EBEDMP COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200183435 835927803 /nfs/dbraw/zinc/92/78/03/835927803.db2.gz XONLLDUFGCOULS-JKSUJKDBSA-N 2 1 339.436 -0.826 20 30 EBEDMP COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200183435 835927812 /nfs/dbraw/zinc/92/78/12/835927812.db2.gz XONLLDUFGCOULS-JKSUJKDBSA-N 2 1 339.436 -0.826 20 30 EBEDMP N#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001200658076 836010625 /nfs/dbraw/zinc/01/06/25/836010625.db2.gz GZQLYFQLVVLGNT-HUUCEWRRSA-N 2 1 349.435 -0.930 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC)C1 ZINC001200721105 836022569 /nfs/dbraw/zinc/02/25/69/836022569.db2.gz GZMVYYGVALPPQM-CABCVRRESA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC)C1 ZINC001200721105 836022583 /nfs/dbraw/zinc/02/25/83/836022583.db2.gz GZMVYYGVALPPQM-CABCVRRESA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCCO1 ZINC001200976613 836077544 /nfs/dbraw/zinc/07/75/44/836077544.db2.gz VUHDLXURZLOYJT-OAHLLOKOSA-N 2 1 347.419 -0.852 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCCO1 ZINC001200976625 836078128 /nfs/dbraw/zinc/07/81/28/836078128.db2.gz VXJMBJMRGUOCPL-OAHLLOKOSA-N 2 1 349.435 -0.299 20 30 EBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CCCO1 ZINC001201034804 836083178 /nfs/dbraw/zinc/08/31/78/836083178.db2.gz YEXIZNGEYDLTSN-BNQMIIOLSA-N 2 1 333.432 -0.310 20 30 EBEDMP N#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001201053081 836085484 /nfs/dbraw/zinc/08/54/84/836085484.db2.gz KGZHMRCCGMPDOA-CQSZACIVSA-N 2 1 344.419 -0.019 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001203168066 836403584 /nfs/dbraw/zinc/40/35/84/836403584.db2.gz JGPWFWRHOVROID-HUUCEWRRSA-N 2 1 343.431 -0.042 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001210134683 837244259 /nfs/dbraw/zinc/24/42/59/837244259.db2.gz XXUODBGPXRPCTI-OAHLLOKOSA-N 2 1 338.452 -0.409 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001321710832 839059663 /nfs/dbraw/zinc/05/96/63/839059663.db2.gz UMWCKYMOHPHIKL-OLZOCXBDSA-N 2 1 339.440 -0.566 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001324174715 839602655 /nfs/dbraw/zinc/60/26/55/839602655.db2.gz IFORAHPYBQLBIY-HOTGVXAUSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001324174715 839602664 /nfs/dbraw/zinc/60/26/64/839602664.db2.gz IFORAHPYBQLBIY-HOTGVXAUSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001324814540 839718821 /nfs/dbraw/zinc/71/88/21/839718821.db2.gz UZLBWFPMUWBGSW-CRAIPNDOSA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001324814545 839718884 /nfs/dbraw/zinc/71/88/84/839718884.db2.gz UZLBWFPMUWBGSW-YJBOKZPZSA-N 2 1 334.464 -0.094 20 30 EBEDMP CC#CC[NH2+]C1CCN(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001325804815 839942109 /nfs/dbraw/zinc/94/21/09/839942109.db2.gz CLBQPBFKAAYLMK-UHFFFAOYSA-N 2 1 336.480 -0.098 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001326988670 840260421 /nfs/dbraw/zinc/26/04/21/840260421.db2.gz OWYSTURURNMURY-OAHLLOKOSA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001331803972 841505380 /nfs/dbraw/zinc/50/53/80/841505380.db2.gz JZKHTOUKBDHIHN-GJZGRUSLSA-N 2 1 338.452 -0.935 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001331803972 841505382 /nfs/dbraw/zinc/50/53/82/841505382.db2.gz JZKHTOUKBDHIHN-GJZGRUSLSA-N 2 1 338.452 -0.935 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001332282673 841604905 /nfs/dbraw/zinc/60/49/05/841604905.db2.gz QGQFVXRRJPRPRW-HUUCEWRRSA-N 2 1 331.420 -0.185 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC001332378487 841628797 /nfs/dbraw/zinc/62/87/97/841628797.db2.gz AVYSXFMZJKDGTH-KFWWJZLASA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)C1 ZINC001333679545 841925691 /nfs/dbraw/zinc/92/56/91/841925691.db2.gz ZCTFKHMVFLWUCE-GJZGRUSLSA-N 2 1 335.452 -0.155 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)C1 ZINC001333679545 841925697 /nfs/dbraw/zinc/92/56/97/841925697.db2.gz ZCTFKHMVFLWUCE-GJZGRUSLSA-N 2 1 335.452 -0.155 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC001482435483 1126149530 /nfs/dbraw/zinc/14/95/30/1126149530.db2.gz FXCUWYOQVTZVFZ-GXTWGEPZSA-N 2 1 332.408 -0.342 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCOCCO)C2)CC1 ZINC001484070156 1126504561 /nfs/dbraw/zinc/50/45/61/1126504561.db2.gz CVSLAUQBJLNRSP-SFHVURJKSA-N 2 1 337.464 -0.079 20 30 EBEDMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@]1(O)CC[N@@H+](CC#CCOC)C1 ZINC001484220952 1126530379 /nfs/dbraw/zinc/53/03/79/1126530379.db2.gz GMLUGLCKHXRZLR-NVXWUHKLSA-N 2 1 343.443 -0.131 20 30 EBEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC(=O)NCC#N)CC1 ZINC001484565115 1126603867 /nfs/dbraw/zinc/60/38/67/1126603867.db2.gz LSVJSSJBILTFTL-KKUMJFAQSA-N 2 1 335.452 -0.015 20 30 EBEDMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)CC2 ZINC001484578185 1126605239 /nfs/dbraw/zinc/60/52/39/1126605239.db2.gz HNFNYOQHLJIDOU-CQSZACIVSA-N 2 1 333.436 -0.355 20 30 EBEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)CC2 ZINC001484578185 1126605240 /nfs/dbraw/zinc/60/52/40/1126605240.db2.gz HNFNYOQHLJIDOU-CQSZACIVSA-N 2 1 333.436 -0.355 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001485649424 1126777290 /nfs/dbraw/zinc/77/72/90/1126777290.db2.gz OWMHKSCNONGLIX-GXTWGEPZSA-N 2 1 348.407 -0.963 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001485813086 1126847277 /nfs/dbraw/zinc/84/72/77/1126847277.db2.gz HRUPGGMBJIYEBH-UONOGXRCSA-N 2 1 349.435 -0.895 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001485813086 1126847287 /nfs/dbraw/zinc/84/72/87/1126847287.db2.gz HRUPGGMBJIYEBH-UONOGXRCSA-N 2 1 349.435 -0.895 20 30 EBEDMP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001486450772 1127177091 /nfs/dbraw/zinc/17/70/91/1127177091.db2.gz ORSVMUXFLKUHRE-ZFWWWQNUSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001486450772 1127177094 /nfs/dbraw/zinc/17/70/94/1127177094.db2.gz ORSVMUXFLKUHRE-ZFWWWQNUSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@H]1CC[N@H+](CC(=O)N2CC3(C2)CC[NH+](CC(=O)NCC#N)CC3)C1 ZINC001280391911 1130564007 /nfs/dbraw/zinc/56/40/07/1130564007.db2.gz JBPPCCFGFDFPLS-HNNXBMFYSA-N 2 1 347.463 -0.108 20 30 EBEDMP C[C@H]1CC[N@@H+](CC(=O)N2CC3(C2)CC[NH+](CC(=O)NCC#N)CC3)C1 ZINC001280391911 1130564011 /nfs/dbraw/zinc/56/40/11/1130564011.db2.gz JBPPCCFGFDFPLS-HNNXBMFYSA-N 2 1 347.463 -0.108 20 30 EBEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000596361157 378059571 /nfs/dbraw/zinc/05/95/71/378059571.db2.gz JCDVPUDYAHGDOA-LBPRGKRZSA-N 2 1 336.440 -0.360 20 30 EBEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000596361157 378059577 /nfs/dbraw/zinc/05/95/77/378059577.db2.gz JCDVPUDYAHGDOA-LBPRGKRZSA-N 2 1 336.440 -0.360 20 30 EBEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261658044 379221719 /nfs/dbraw/zinc/22/17/19/379221719.db2.gz FQVDPXQRNNVJRG-CYBMUJFWSA-N 2 1 333.440 -0.404 20 30 EBEDMP CNC(=O)[C@@]1(C)CC[NH+](CC#CC[N@@H+]2CC[C@](C)(C(=O)NC)C2)C1 ZINC000342134807 380757732 /nfs/dbraw/zinc/75/77/32/380757732.db2.gz SEVUOUJGAXFYCZ-ROUUACIJSA-N 2 1 334.464 -0.094 20 30 EBEDMP O=C1C[C@]2(CC[NH+](CC#CC[N@@H+]3CC[C@@]4(CNC(=O)C4)C3)C2)CN1 ZINC000375329231 380838106 /nfs/dbraw/zinc/83/81/06/380838106.db2.gz YHIKFKBLORRKSR-QZTJIDSGSA-N 2 1 330.432 -0.586 20 30 EBEDMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000330823843 380840248 /nfs/dbraw/zinc/84/02/48/380840248.db2.gz GTBHZWGCCOHTOM-AWEZNQCLSA-N 2 1 341.456 -0.627 20 30 EBEDMP CN(CCC#N)C(=O)CC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000092796019 381878615 /nfs/dbraw/zinc/87/86/15/381878615.db2.gz CWASGDIGKSWSEN-UHFFFAOYSA-N 2 1 335.452 -0.011 20 30 EBEDMP C[C@H](O)C[NH+]1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000329532018 545741579 /nfs/dbraw/zinc/74/15/79/545741579.db2.gz WWXYDVDWCVSRHX-HNNXBMFYSA-N 2 1 341.500 -0.075 20 30 EBEDMP C[C@H](O)C[NH+]1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000329532018 545741586 /nfs/dbraw/zinc/74/15/86/545741586.db2.gz WWXYDVDWCVSRHX-HNNXBMFYSA-N 2 1 341.500 -0.075 20 30 EBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000672355933 546094376 /nfs/dbraw/zinc/09/43/76/546094376.db2.gz DISZSZNQWBKSKL-UKRRQHHQSA-N 2 1 338.452 -0.412 20 30 EBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000672355933 546094380 /nfs/dbraw/zinc/09/43/80/546094380.db2.gz DISZSZNQWBKSKL-UKRRQHHQSA-N 2 1 338.452 -0.412 20 30 EBEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000849112941 584166085 /nfs/dbraw/zinc/16/60/85/584166085.db2.gz FVTVQMBGXNYJHO-HNNXBMFYSA-N 2 1 327.473 -0.670 20 30 EBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000133837061 584615088 /nfs/dbraw/zinc/61/50/88/584615088.db2.gz WIKKCCDLPATCPY-QWHCGFSZSA-N 2 1 331.486 -0.344 20 30 EBEDMP C[NH+]=C(NCCC(=O)N1CC[NH+](C)CC1)N1CC[C@]2(CCOC2)C1 ZINC000179196125 649980344 /nfs/dbraw/zinc/98/03/44/649980344.db2.gz SQKZHKRNXVKZNT-KRWDZBQOSA-N 2 1 337.468 -0.162 20 30 EBEDMP C[NH+]=C(NC[C@H](C)[NH+](C)C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261816556 649985552 /nfs/dbraw/zinc/98/55/52/649985552.db2.gz UBFGQWALNFNOME-ZBEGNZNMSA-N 2 1 338.456 -0.178 20 30 EBEDMP CN(C)C(=O)CNC(=[NH+]C1CC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262283837 649986704 /nfs/dbraw/zinc/98/67/04/649986704.db2.gz JPNVDQKLZQFSGI-CQSZACIVSA-N 2 1 337.468 -0.163 20 30 EBEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N(C)CC(=O)NC(C)(C)C ZINC000262813995 649988340 /nfs/dbraw/zinc/98/83/40/649988340.db2.gz UZJYUBQSYORPFE-CYBMUJFWSA-N 2 1 326.489 -0.346 20 30 EBEDMP CC(C)[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)N1CCOCC1 ZINC000303787102 649992981 /nfs/dbraw/zinc/99/29/81/649992981.db2.gz SCCFFMUHHJMQSL-INIZCTEOSA-N 2 1 341.500 -0.030 20 30 EBEDMP CS(=O)(=O)N1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000305270781 649994086 /nfs/dbraw/zinc/99/40/86/649994086.db2.gz XXEGMJHISXUXMC-CYBMUJFWSA-N 2 1 347.485 -0.963 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000938320696 652195885 /nfs/dbraw/zinc/19/58/85/652195885.db2.gz JRHSHFZFHHIPLX-HOTGVXAUSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000938320696 652195890 /nfs/dbraw/zinc/19/58/90/652195890.db2.gz JRHSHFZFHHIPLX-HOTGVXAUSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000953905334 719545695 /nfs/dbraw/zinc/54/56/95/719545695.db2.gz XDZHOJBIBHCJLV-CVEARBPZSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000953905334 719545699 /nfs/dbraw/zinc/54/56/99/719545699.db2.gz XDZHOJBIBHCJLV-CVEARBPZSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000953905334 719545702 /nfs/dbraw/zinc/54/57/02/719545702.db2.gz XDZHOJBIBHCJLV-CVEARBPZSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000953905334 719545705 /nfs/dbraw/zinc/54/57/05/719545705.db2.gz XDZHOJBIBHCJLV-CVEARBPZSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000960348316 722822323 /nfs/dbraw/zinc/82/23/23/722822323.db2.gz RYSRNFZEHXYBDZ-XUWVNRHRSA-N 2 1 328.420 -0.578 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000960348316 722822327 /nfs/dbraw/zinc/82/23/27/722822327.db2.gz RYSRNFZEHXYBDZ-XUWVNRHRSA-N 2 1 328.420 -0.578 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCn3cncn3)C[C@H]21 ZINC000960348316 722822328 /nfs/dbraw/zinc/82/23/28/722822328.db2.gz RYSRNFZEHXYBDZ-XUWVNRHRSA-N 2 1 328.420 -0.578 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCn3cncn3)C[C@H]21 ZINC000960348316 722822330 /nfs/dbraw/zinc/82/23/30/722822330.db2.gz RYSRNFZEHXYBDZ-XUWVNRHRSA-N 2 1 328.420 -0.578 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cnn(C)n2)C1 ZINC000961938665 723126174 /nfs/dbraw/zinc/12/61/74/723126174.db2.gz RGQCNPLFIOZGBH-XUJLQICISA-N 2 1 330.436 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cnn(C)n2)C1 ZINC000961938665 723126177 /nfs/dbraw/zinc/12/61/77/723126177.db2.gz RGQCNPLFIOZGBH-XUJLQICISA-N 2 1 330.436 -0.103 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000991715938 725568368 /nfs/dbraw/zinc/56/83/68/725568368.db2.gz BJGSIXRFZBQTIL-OAHLLOKOSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000994750481 726071752 /nfs/dbraw/zinc/07/17/52/726071752.db2.gz IUXAZXVAOATFGY-IRXDYDNUSA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000994750481 726071756 /nfs/dbraw/zinc/07/17/56/726071756.db2.gz IUXAZXVAOATFGY-IRXDYDNUSA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]21 ZINC000976737871 726402322 /nfs/dbraw/zinc/40/23/22/726402322.db2.gz YNSBTNJGZPPUDO-ALYAQQCSSA-N 2 1 346.475 -0.003 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC000996683095 726422060 /nfs/dbraw/zinc/42/20/60/726422060.db2.gz ANXDDDOQHLEEQH-HOTGVXAUSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC000996683095 726422061 /nfs/dbraw/zinc/42/20/61/726422061.db2.gz ANXDDDOQHLEEQH-HOTGVXAUSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncnn2C)CC1 ZINC000996683413 726422064 /nfs/dbraw/zinc/42/20/64/726422064.db2.gz CGQGUOMKUDOFGQ-HNNXBMFYSA-N 2 1 330.436 -0.007 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncnn2C)CC1 ZINC000996683413 726422065 /nfs/dbraw/zinc/42/20/65/726422065.db2.gz CGQGUOMKUDOFGQ-HNNXBMFYSA-N 2 1 330.436 -0.007 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCn2cncn2)CC1 ZINC000996684195 726422244 /nfs/dbraw/zinc/42/22/44/726422244.db2.gz GZCICYBCRUGFBE-INIZCTEOSA-N 2 1 330.436 -0.044 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCn2cncn2)CC1 ZINC000996684195 726422245 /nfs/dbraw/zinc/42/22/45/726422245.db2.gz GZCICYBCRUGFBE-INIZCTEOSA-N 2 1 330.436 -0.044 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001011162771 727479930 /nfs/dbraw/zinc/47/99/30/727479930.db2.gz WANCHFHZVLXAFD-HOTGVXAUSA-N 2 1 332.448 -0.294 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001011162771 727479933 /nfs/dbraw/zinc/47/99/33/727479933.db2.gz WANCHFHZVLXAFD-HOTGVXAUSA-N 2 1 332.448 -0.294 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001011162771 727479936 /nfs/dbraw/zinc/47/99/36/727479936.db2.gz WANCHFHZVLXAFD-HOTGVXAUSA-N 2 1 332.448 -0.294 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001011162771 727479939 /nfs/dbraw/zinc/47/99/39/727479939.db2.gz WANCHFHZVLXAFD-HOTGVXAUSA-N 2 1 332.448 -0.294 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)CC1 ZINC001016332797 728457615 /nfs/dbraw/zinc/45/76/15/728457615.db2.gz SLBWFEDWHVRQAW-JKSUJKDBSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)CC1 ZINC001016332797 728457617 /nfs/dbraw/zinc/45/76/17/728457617.db2.gz SLBWFEDWHVRQAW-JKSUJKDBSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C2)CC1 ZINC001016336020 728458052 /nfs/dbraw/zinc/45/80/52/728458052.db2.gz HHRFBQKKLNQXQI-INIZCTEOSA-N 2 1 330.436 -0.186 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C2)CC1 ZINC001016338250 728458919 /nfs/dbraw/zinc/45/89/19/728458919.db2.gz XSKUXFIHGRHXRX-HZPDHXFCSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)CC1 ZINC001016338250 728458920 /nfs/dbraw/zinc/45/89/20/728458920.db2.gz XSKUXFIHGRHXRX-HZPDHXFCSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cn(C)nn3)C2)CC1 ZINC001019813395 728998334 /nfs/dbraw/zinc/99/83/34/728998334.db2.gz CUZPMEJSFZSJKD-HNNXBMFYSA-N 2 1 330.436 -0.149 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001022221112 729468450 /nfs/dbraw/zinc/46/84/50/729468450.db2.gz YEABDSCUNGYUDA-XHSDSOJGSA-N 2 1 348.447 -0.820 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001022221112 729468453 /nfs/dbraw/zinc/46/84/53/729468453.db2.gz YEABDSCUNGYUDA-XHSDSOJGSA-N 2 1 348.447 -0.820 20 30 EBEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(CC)C3=O)C[C@H]21 ZINC001025814015 730095301 /nfs/dbraw/zinc/09/53/01/730095301.db2.gz BKFVRAAHZMYTGW-BQJWPVKWSA-N 2 1 344.459 -0.249 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)C[C@H]21 ZINC001025814015 730095302 /nfs/dbraw/zinc/09/53/02/730095302.db2.gz BKFVRAAHZMYTGW-BQJWPVKWSA-N 2 1 344.459 -0.249 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(CC)C3=O)C[C@H]21 ZINC001025814015 730095303 /nfs/dbraw/zinc/09/53/03/730095303.db2.gz BKFVRAAHZMYTGW-BQJWPVKWSA-N 2 1 344.459 -0.249 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCN(CC)C3=O)C[C@H]21 ZINC001025814015 730095304 /nfs/dbraw/zinc/09/53/04/730095304.db2.gz BKFVRAAHZMYTGW-BQJWPVKWSA-N 2 1 344.459 -0.249 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCN(CC)C3=O)C[C@H]21 ZINC001025814015 730095305 /nfs/dbraw/zinc/09/53/05/730095305.db2.gz BKFVRAAHZMYTGW-BQJWPVKWSA-N 2 1 344.459 -0.249 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001026892739 730168272 /nfs/dbraw/zinc/16/82/72/730168272.db2.gz AVMBVGGFURUWHP-ZBFHGGJFSA-N 2 1 330.436 -0.149 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001026892739 730168274 /nfs/dbraw/zinc/16/82/74/730168274.db2.gz AVMBVGGFURUWHP-ZBFHGGJFSA-N 2 1 330.436 -0.149 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001029003387 730382785 /nfs/dbraw/zinc/38/27/85/730382785.db2.gz MEWWEGXALPZFMM-HNNXBMFYSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]([C@H](C)C(=O)NC)C2)CC1 ZINC001029004515 730382953 /nfs/dbraw/zinc/38/29/53/730382953.db2.gz YFPVCPZXXLCMFO-CABCVRRESA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2C1 ZINC001048868646 734546390 /nfs/dbraw/zinc/54/63/90/734546390.db2.gz HIRNMWXHJAZRPV-BBWFWOEESA-N 2 1 344.459 -0.294 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2C1 ZINC001048868646 734546392 /nfs/dbraw/zinc/54/63/92/734546392.db2.gz HIRNMWXHJAZRPV-BBWFWOEESA-N 2 1 344.459 -0.294 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@@H]2C1 ZINC001048868646 734546394 /nfs/dbraw/zinc/54/63/94/734546394.db2.gz HIRNMWXHJAZRPV-BBWFWOEESA-N 2 1 344.459 -0.294 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@@H]2C1 ZINC001048868646 734546397 /nfs/dbraw/zinc/54/63/97/734546397.db2.gz HIRNMWXHJAZRPV-BBWFWOEESA-N 2 1 344.459 -0.294 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)CC1 ZINC001049235146 734695025 /nfs/dbraw/zinc/69/50/25/734695025.db2.gz LGQGDGVUVIBILF-IXDOHACOSA-N 2 1 344.459 -0.390 20 30 EBEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1cn(C)cn1 ZINC001070546753 740859444 /nfs/dbraw/zinc/85/94/44/740859444.db2.gz IFMWCWODGXGACA-DOTOQJQBSA-N 2 1 345.447 -0.340 20 30 EBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001070659240 740913315 /nfs/dbraw/zinc/91/33/15/740913315.db2.gz CFHBKFBFMYHKET-KCYZZUKISA-N 2 1 345.447 -0.344 20 30 EBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001070659240 740913318 /nfs/dbraw/zinc/91/33/18/740913318.db2.gz CFHBKFBFMYHKET-KCYZZUKISA-N 2 1 345.447 -0.344 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)C(=O)NC)C[C@H]32)CC1 ZINC001076605870 742510788 /nfs/dbraw/zinc/51/07/88/742510788.db2.gz XGLVCBKNVJYAAV-HYVNUMGLSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)C(=O)NC)C[C@H]32)CC1 ZINC001076605870 742510791 /nfs/dbraw/zinc/51/07/91/742510791.db2.gz XGLVCBKNVJYAAV-HYVNUMGLSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001222054199 811589082 /nfs/dbraw/zinc/58/90/82/811589082.db2.gz FUNKOCILLLGWGT-BZUAXINKSA-N 2 1 334.464 -0.003 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001222054199 811589086 /nfs/dbraw/zinc/58/90/86/811589086.db2.gz FUNKOCILLLGWGT-BZUAXINKSA-N 2 1 334.464 -0.003 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222054199 811589090 /nfs/dbraw/zinc/58/90/90/811589090.db2.gz FUNKOCILLLGWGT-BZUAXINKSA-N 2 1 334.464 -0.003 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222054199 811589093 /nfs/dbraw/zinc/58/90/93/811589093.db2.gz FUNKOCILLLGWGT-BZUAXINKSA-N 2 1 334.464 -0.003 20 30 EBEDMP C[C@H]1CC[N@H+](CC(=O)NCC2CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001224558578 811765814 /nfs/dbraw/zinc/76/58/14/811765814.db2.gz HMZRBANYLJAKAE-AWEZNQCLSA-N 2 1 335.452 -0.204 20 30 EBEDMP C[C@H]1CC[N@@H+](CC(=O)NCC2CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001224558578 811765822 /nfs/dbraw/zinc/76/58/22/811765822.db2.gz HMZRBANYLJAKAE-AWEZNQCLSA-N 2 1 335.452 -0.204 20 30 EBEDMP C[N@@H+]1CC[C@@H](CC(=O)NCC2CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001225168176 811797228 /nfs/dbraw/zinc/79/72/28/811797228.db2.gz OUBFTYNLUNZMCJ-HNNXBMFYSA-N 2 1 335.452 -0.204 20 30 EBEDMP C[N@H+]1CC[C@@H](CC(=O)NCC2CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001225168176 811797233 /nfs/dbraw/zinc/79/72/33/811797233.db2.gz OUBFTYNLUNZMCJ-HNNXBMFYSA-N 2 1 335.452 -0.204 20 30 EBEDMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC#N)C1 ZINC001229691769 812049012 /nfs/dbraw/zinc/04/90/12/812049012.db2.gz AIENTRVTXYYWBX-RBSFLKMASA-N 2 1 335.452 -0.015 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001230147905 812080462 /nfs/dbraw/zinc/08/04/62/812080462.db2.gz WHTCXRHIZBSZDZ-HUUCEWRRSA-N 2 1 331.420 -0.042 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001264996354 813216391 /nfs/dbraw/zinc/21/63/91/813216391.db2.gz HHAFBJIWWLNVLN-OLZOCXBDSA-N 2 1 337.424 -0.895 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001264996354 813216394 /nfs/dbraw/zinc/21/63/94/813216394.db2.gz HHAFBJIWWLNVLN-OLZOCXBDSA-N 2 1 337.424 -0.895 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@H](C)C(=O)NC(N)=O ZINC001264996354 813216400 /nfs/dbraw/zinc/21/64/00/813216400.db2.gz HHAFBJIWWLNVLN-OLZOCXBDSA-N 2 1 337.424 -0.895 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@H](C)C(=O)NC(N)=O ZINC001264996354 813216405 /nfs/dbraw/zinc/21/64/05/813216405.db2.gz HHAFBJIWWLNVLN-OLZOCXBDSA-N 2 1 337.424 -0.895 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001266532145 813598375 /nfs/dbraw/zinc/59/83/75/813598375.db2.gz WTKVGYFTIXRYLI-KBPBESRZSA-N 2 1 345.403 -0.099 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001266532145 813598381 /nfs/dbraw/zinc/59/83/81/813598381.db2.gz WTKVGYFTIXRYLI-KBPBESRZSA-N 2 1 345.403 -0.099 20 30 EBEDMP C[N@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)NCC#N ZINC001266645660 813631747 /nfs/dbraw/zinc/63/17/47/813631747.db2.gz FESVSPGFADBINI-JALIKCBVSA-N 2 1 333.436 -0.168 20 30 EBEDMP C[NH+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCC#N ZINC001266645660 813631750 /nfs/dbraw/zinc/63/17/50/813631750.db2.gz FESVSPGFADBINI-JALIKCBVSA-N 2 1 333.436 -0.168 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001266818196 813677880 /nfs/dbraw/zinc/67/78/80/813677880.db2.gz UNGUPMLHIYAJAL-AWEZNQCLSA-N 2 1 331.420 -0.449 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC001266902404 813697837 /nfs/dbraw/zinc/69/78/37/813697837.db2.gz VLANXUUFCPUSNI-LJIZCISZSA-N 2 1 332.448 -0.345 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001266902404 813697840 /nfs/dbraw/zinc/69/78/40/813697840.db2.gz VLANXUUFCPUSNI-LJIZCISZSA-N 2 1 332.448 -0.345 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C ZINC001266902404 813697844 /nfs/dbraw/zinc/69/78/44/813697844.db2.gz VLANXUUFCPUSNI-LJIZCISZSA-N 2 1 332.448 -0.345 20 30 EBEDMP C[N@H+]1CC[C@@H](CC(=O)NC2(C[NH2+]CC(=O)NCC#N)CCCC2)C1 ZINC001267845467 814053998 /nfs/dbraw/zinc/05/39/98/814053998.db2.gz SWVRSEIDDCDVRD-AWEZNQCLSA-N 2 1 335.452 -0.013 20 30 EBEDMP C[N@H+]1CC[C@H](CC(=O)NC2(C[NH2+]CC(=O)NCC#N)CCCC2)C1 ZINC001267845468 814054213 /nfs/dbraw/zinc/05/42/13/814054213.db2.gz SWVRSEIDDCDVRD-CQSZACIVSA-N 2 1 335.452 -0.013 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](C[C@H](C)O)C[C@@H]32)CC1 ZINC001083283603 814261589 /nfs/dbraw/zinc/26/15/89/814261589.db2.gz KMECEVGAZKUUIM-BHYGNILZSA-N 2 1 335.448 -0.376 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001269378004 814669670 /nfs/dbraw/zinc/66/96/70/814669670.db2.gz MCBRSRMZOIPXQJ-QWHCGFSZSA-N 2 1 339.440 -0.423 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001084088015 815825757 /nfs/dbraw/zinc/82/57/57/815825757.db2.gz LXIYTNOWTDXTAI-UAGQMJEPSA-N 2 1 335.448 -0.471 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001272494272 816444973 /nfs/dbraw/zinc/44/49/73/816444973.db2.gz OHXKZQXFGDTSNZ-OAHLLOKOSA-N 2 1 331.420 -0.231 20 30 EBEDMP C=CCN1CC[C@H]([NH2+]C/C=C\CNC(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001273930262 816811870 /nfs/dbraw/zinc/81/18/70/816811870.db2.gz WTOOREQRTXJZQA-ZYOQUQOHSA-N 2 1 336.436 -0.634 20 30 EBEDMP C=CCN1CC[C@H]([NH2+]C/C=C\CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001273930262 816811879 /nfs/dbraw/zinc/81/18/79/816811879.db2.gz WTOOREQRTXJZQA-ZYOQUQOHSA-N 2 1 336.436 -0.634 20 30 EBEDMP C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CC(=O)NCC#N ZINC001274654396 817060238 /nfs/dbraw/zinc/06/02/38/817060238.db2.gz OCCZAFXAIDGASN-UONOGXRCSA-N 2 1 333.436 -0.309 20 30 EBEDMP C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CC(=O)NCC#N ZINC001274654396 817060242 /nfs/dbraw/zinc/06/02/42/817060242.db2.gz OCCZAFXAIDGASN-UONOGXRCSA-N 2 1 333.436 -0.309 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001278004378 817673277 /nfs/dbraw/zinc/67/32/77/817673277.db2.gz AXNWAWYCAZZYRG-CABCVRRESA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001278004378 817673279 /nfs/dbraw/zinc/67/32/79/817673279.db2.gz AXNWAWYCAZZYRG-CABCVRRESA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001278200519 817724229 /nfs/dbraw/zinc/72/42/29/817724229.db2.gz LPMDPCHSRFJDAC-CYBMUJFWSA-N 2 1 349.435 -0.941 20 30 EBEDMP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001278200519 817724234 /nfs/dbraw/zinc/72/42/34/817724234.db2.gz LPMDPCHSRFJDAC-CYBMUJFWSA-N 2 1 349.435 -0.941 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)NCC1([NH2+]CC(=O)NCC#N)CCOCC1 ZINC001278715497 817797690 /nfs/dbraw/zinc/79/76/90/817797690.db2.gz UEWMHXAULNJGSB-UHFFFAOYSA-N 2 1 348.407 -0.914 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001278838049 817858198 /nfs/dbraw/zinc/85/81/98/817858198.db2.gz GHEMOQCTQRLVPI-GJZGRUSLSA-N 2 1 338.452 -0.981 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001278838047 817858576 /nfs/dbraw/zinc/85/85/76/817858576.db2.gz GHEMOQCTQRLVPI-CABCVRRESA-N 2 1 338.452 -0.981 20 30 EBEDMP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001279147056 817908558 /nfs/dbraw/zinc/90/85/58/817908558.db2.gz VIZFQMVFMLMJFJ-DZGCQCFKSA-N 2 1 335.452 -0.063 20 30 EBEDMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001279147056 817908565 /nfs/dbraw/zinc/90/85/65/817908565.db2.gz VIZFQMVFMLMJFJ-DZGCQCFKSA-N 2 1 335.452 -0.063 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001279585455 817954768 /nfs/dbraw/zinc/95/47/68/817954768.db2.gz BNUSTIJACQKEOF-CVEARBPZSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001279585455 817954774 /nfs/dbraw/zinc/95/47/74/817954774.db2.gz BNUSTIJACQKEOF-CVEARBPZSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC=C(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001279668710 817966828 /nfs/dbraw/zinc/96/68/28/817966828.db2.gz FCNKWARAEAVSKJ-MRXNPFEDSA-N 2 1 332.448 -0.174 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC=C(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001279668710 817966834 /nfs/dbraw/zinc/96/68/34/817966834.db2.gz FCNKWARAEAVSKJ-MRXNPFEDSA-N 2 1 332.448 -0.174 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC=C(CNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001279668710 817966839 /nfs/dbraw/zinc/96/68/39/817966839.db2.gz FCNKWARAEAVSKJ-MRXNPFEDSA-N 2 1 332.448 -0.174 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC=C(CNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001279668710 817966843 /nfs/dbraw/zinc/96/68/43/817966843.db2.gz FCNKWARAEAVSKJ-MRXNPFEDSA-N 2 1 332.448 -0.174 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC001282497392 818441786 /nfs/dbraw/zinc/44/17/86/818441786.db2.gz NOTQEJGQQRVVDP-ZBFHGGJFSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC2(CCO)C[NH+](C[C@H]3CCOC3)C2)CC1 ZINC001282545439 818451178 /nfs/dbraw/zinc/45/11/78/818451178.db2.gz QMYXPRRGNPJLKG-MRXNPFEDSA-N 2 1 349.475 -0.079 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001282812395 818496993 /nfs/dbraw/zinc/49/69/93/818496993.db2.gz VOROUQKGUONGQK-RBSFLKMASA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001282812395 818497000 /nfs/dbraw/zinc/49/70/00/818497000.db2.gz VOROUQKGUONGQK-RBSFLKMASA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC001282812395 818497004 /nfs/dbraw/zinc/49/70/04/818497004.db2.gz VOROUQKGUONGQK-RBSFLKMASA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC001282812395 818497009 /nfs/dbraw/zinc/49/70/09/818497009.db2.gz VOROUQKGUONGQK-RBSFLKMASA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC(=O)N(C3C[NH+](CC)C3)C2)CC1 ZINC001094818742 818514566 /nfs/dbraw/zinc/51/45/66/818514566.db2.gz GNSVSAAPTCTLKZ-HNNXBMFYSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](CCO)C[C@H](C)O)CC1 ZINC001098396150 819169115 /nfs/dbraw/zinc/16/91/15/819169115.db2.gz SHAIZRZNQQWZME-RDJZCZTQSA-N 2 1 337.464 -0.250 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](CCO)C[C@H](C)O)CC1 ZINC001098396150 819169121 /nfs/dbraw/zinc/16/91/21/819169121.db2.gz SHAIZRZNQQWZME-RDJZCZTQSA-N 2 1 337.464 -0.250 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CCO)C[C@H](C)O)CC1 ZINC001098396150 819169124 /nfs/dbraw/zinc/16/91/24/819169124.db2.gz SHAIZRZNQQWZME-RDJZCZTQSA-N 2 1 337.464 -0.250 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CCO)C[C@H](C)O)CC1 ZINC001098396150 819169129 /nfs/dbraw/zinc/16/91/29/819169129.db2.gz SHAIZRZNQQWZME-RDJZCZTQSA-N 2 1 337.464 -0.250 20 30 EBEDMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[NH+](CC#CCOC)C[C@H]1O ZINC001099899199 819865830 /nfs/dbraw/zinc/86/58/30/819865830.db2.gz OGXFSQJQUNFRGN-HUUCEWRRSA-N 2 1 325.453 -0.082 20 30 EBEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[NH+](CC#CCOC)C[C@H]1O ZINC001099899199 819865844 /nfs/dbraw/zinc/86/58/44/819865844.db2.gz OGXFSQJQUNFRGN-HUUCEWRRSA-N 2 1 325.453 -0.082 20 30 EBEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](CC#CCOC)C[C@H]1O ZINC001099899199 819865857 /nfs/dbraw/zinc/86/58/57/819865857.db2.gz OGXFSQJQUNFRGN-HUUCEWRRSA-N 2 1 325.453 -0.082 20 30 EBEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC#CCOC)C[C@H]1O ZINC001099899199 819865866 /nfs/dbraw/zinc/86/58/66/819865866.db2.gz OGXFSQJQUNFRGN-HUUCEWRRSA-N 2 1 325.453 -0.082 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101171769 820708639 /nfs/dbraw/zinc/70/86/39/820708639.db2.gz KXBJKUUWDRTWRG-RKVPGOIHSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171769 820708641 /nfs/dbraw/zinc/70/86/41/820708641.db2.gz KXBJKUUWDRTWRG-RKVPGOIHSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171769 820708645 /nfs/dbraw/zinc/70/86/45/820708645.db2.gz KXBJKUUWDRTWRG-RKVPGOIHSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101270391 820741957 /nfs/dbraw/zinc/74/19/57/820741957.db2.gz LTFDHQYHCCBTMC-AOIWGVFYSA-N 2 1 349.475 -0.127 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101270391 820741962 /nfs/dbraw/zinc/74/19/62/820741962.db2.gz LTFDHQYHCCBTMC-AOIWGVFYSA-N 2 1 349.475 -0.127 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCOCCO)C[C@@]2(C)C1 ZINC001101270391 820741969 /nfs/dbraw/zinc/74/19/69/820741969.db2.gz LTFDHQYHCCBTMC-AOIWGVFYSA-N 2 1 349.475 -0.127 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCOCCO)C[C@@]2(C)C1 ZINC001101270391 820741976 /nfs/dbraw/zinc/74/19/76/820741976.db2.gz LTFDHQYHCCBTMC-AOIWGVFYSA-N 2 1 349.475 -0.127 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101353147 820764664 /nfs/dbraw/zinc/76/46/64/820764664.db2.gz URWSSTZSHQXUQW-RKVPGOIHSA-N 2 1 334.464 -0.144 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101430141 820788242 /nfs/dbraw/zinc/78/82/42/820788242.db2.gz QUVYVTHQWGBAHV-FCEWJHQRSA-N 2 1 346.475 -0.142 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101430141 820788246 /nfs/dbraw/zinc/78/82/46/820788246.db2.gz QUVYVTHQWGBAHV-FCEWJHQRSA-N 2 1 346.475 -0.142 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101430141 820788250 /nfs/dbraw/zinc/78/82/50/820788250.db2.gz QUVYVTHQWGBAHV-FCEWJHQRSA-N 2 1 346.475 -0.142 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NCC)C[C@H]1C ZINC001102056109 821015215 /nfs/dbraw/zinc/01/52/15/821015215.db2.gz NZNDHDPSLTYCGB-OAGGEKHMSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC)C[C@H]1C ZINC001102056109 821015224 /nfs/dbraw/zinc/01/52/24/821015224.db2.gz NZNDHDPSLTYCGB-OAGGEKHMSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NCC)C[C@H]1C ZINC001102056109 821015234 /nfs/dbraw/zinc/01/52/34/821015234.db2.gz NZNDHDPSLTYCGB-OAGGEKHMSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NCC)C[C@H]1C ZINC001102056109 821015243 /nfs/dbraw/zinc/01/52/43/821015243.db2.gz NZNDHDPSLTYCGB-OAGGEKHMSA-N 2 1 334.464 -0.096 20 30 EBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001102316473 821069183 /nfs/dbraw/zinc/06/91/83/821069183.db2.gz RTOQITULBCEBLK-UKRRQHHQSA-N 2 1 335.452 -0.348 20 30 EBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102366938 821080027 /nfs/dbraw/zinc/08/00/27/821080027.db2.gz VVYBSWYZYPMOEX-QLFBSQMISA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001102366938 821080035 /nfs/dbraw/zinc/08/00/35/821080035.db2.gz VVYBSWYZYPMOEX-QLFBSQMISA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001102366938 821080045 /nfs/dbraw/zinc/08/00/45/821080045.db2.gz VVYBSWYZYPMOEX-QLFBSQMISA-N 2 1 335.452 -0.205 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102780709 821212036 /nfs/dbraw/zinc/21/20/36/821212036.db2.gz LEKROXMRGZXSSE-BZUAXINKSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001102780709 821212044 /nfs/dbraw/zinc/21/20/44/821212044.db2.gz LEKROXMRGZXSSE-BZUAXINKSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001102780709 821212053 /nfs/dbraw/zinc/21/20/53/821212053.db2.gz LEKROXMRGZXSSE-BZUAXINKSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103722440 821345505 /nfs/dbraw/zinc/34/55/05/821345505.db2.gz NGHBKANEUJYSJK-HZPDHXFCSA-N 2 1 334.464 -0.094 20 30 EBEDMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104000173 821385337 /nfs/dbraw/zinc/38/53/37/821385337.db2.gz XWDPACUPTFKGLY-RBSFLKMASA-N 2 1 335.452 -0.205 20 30 EBEDMP C#CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001316715173 821832156 /nfs/dbraw/zinc/83/21/56/821832156.db2.gz IBHIRVAWTLPJCZ-CYBMUJFWSA-N 2 1 333.392 -0.758 20 30 EBEDMP C#CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001316715173 821832161 /nfs/dbraw/zinc/83/21/61/821832161.db2.gz IBHIRVAWTLPJCZ-CYBMUJFWSA-N 2 1 333.392 -0.758 20 30 EBEDMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CC(=O)NCC#N)CC2 ZINC001317003324 821971713 /nfs/dbraw/zinc/97/17/13/821971713.db2.gz TUEHZUDRNVONAU-KGLIPLIRSA-N 2 1 333.436 -0.309 20 30 EBEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CC(=O)NCC#N)CC2 ZINC001317003324 821971720 /nfs/dbraw/zinc/97/17/20/821971720.db2.gz TUEHZUDRNVONAU-KGLIPLIRSA-N 2 1 333.436 -0.309 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001317120979 822009077 /nfs/dbraw/zinc/00/90/77/822009077.db2.gz HFVDGBYIJAXJSZ-KFWWJZLASA-N 2 1 338.452 -0.364 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001317213577 822038604 /nfs/dbraw/zinc/03/86/04/822038604.db2.gz DUBDPAHEEQTBQQ-LVNYTYFRSA-N 2 1 332.448 -0.488 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317213577 822038614 /nfs/dbraw/zinc/03/86/14/822038614.db2.gz DUBDPAHEEQTBQQ-LVNYTYFRSA-N 2 1 332.448 -0.488 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001317213577 822038623 /nfs/dbraw/zinc/03/86/23/822038623.db2.gz DUBDPAHEEQTBQQ-LVNYTYFRSA-N 2 1 332.448 -0.488 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001317213584 822038740 /nfs/dbraw/zinc/03/87/40/822038740.db2.gz DUBDPAHEEQTBQQ-NMNMXBMNSA-N 2 1 332.448 -0.488 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317213584 822038745 /nfs/dbraw/zinc/03/87/45/822038745.db2.gz DUBDPAHEEQTBQQ-NMNMXBMNSA-N 2 1 332.448 -0.488 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001317213584 822038755 /nfs/dbraw/zinc/03/87/55/822038755.db2.gz DUBDPAHEEQTBQQ-NMNMXBMNSA-N 2 1 332.448 -0.488 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1C ZINC001106927320 822354491 /nfs/dbraw/zinc/35/44/91/822354491.db2.gz JVKDVPMKLSBUDA-MDZRGWNJSA-N 2 1 346.475 -0.094 20 30 EBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129052819 828564901 /nfs/dbraw/zinc/56/49/01/828564901.db2.gz ONQILLYXCCHUII-OWCLPIDISA-N 2 1 330.436 -0.017 20 30 EBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129052819 828564902 /nfs/dbraw/zinc/56/49/02/828564902.db2.gz ONQILLYXCCHUII-OWCLPIDISA-N 2 1 330.436 -0.017 20 30 EBEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129321087 828597154 /nfs/dbraw/zinc/59/71/54/828597154.db2.gz GAABHPUUGSQODX-CVEARBPZSA-N 2 1 348.451 -0.082 20 30 EBEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129321087 828597158 /nfs/dbraw/zinc/59/71/58/828597158.db2.gz GAABHPUUGSQODX-CVEARBPZSA-N 2 1 348.451 -0.082 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCNC(=O)NC(C)(C)C ZINC001129770868 828667327 /nfs/dbraw/zinc/66/73/27/828667327.db2.gz MGNDLQUPULKJNE-AWEZNQCLSA-N 2 1 337.468 -0.113 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCNC(=O)NC(C)(C)C ZINC001129770868 828667328 /nfs/dbraw/zinc/66/73/28/828667328.db2.gz MGNDLQUPULKJNE-AWEZNQCLSA-N 2 1 337.468 -0.113 20 30 EBEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CC)[NH+](C)C)[nH]1 ZINC001130237916 828763474 /nfs/dbraw/zinc/76/34/74/828763474.db2.gz JRFUAJOXBWKULR-IHRRRGAJSA-N 2 1 348.451 -0.144 20 30 EBEDMP C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112160147 825394796 /nfs/dbraw/zinc/39/47/96/825394796.db2.gz UWJLFKVYTGEWDN-GHMZBOCLSA-N 2 1 349.357 -0.443 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001114368942 826222908 /nfs/dbraw/zinc/22/29/08/826222908.db2.gz WDCUPSIORLBVFV-QSJFSLAZSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001114368942 826222915 /nfs/dbraw/zinc/22/29/15/826222915.db2.gz WDCUPSIORLBVFV-QSJFSLAZSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001114368942 826222919 /nfs/dbraw/zinc/22/29/19/826222919.db2.gz WDCUPSIORLBVFV-QSJFSLAZSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001114368942 826222928 /nfs/dbraw/zinc/22/29/28/826222928.db2.gz WDCUPSIORLBVFV-QSJFSLAZSA-N 2 1 332.448 -0.343 20 30 EBEDMP C[NH+](C)C1(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)CCCC1 ZINC001114627317 826301624 /nfs/dbraw/zinc/30/16/24/826301624.db2.gz UPPATNFLKFPQIU-HALDLXJZSA-N 2 1 347.463 -0.063 20 30 EBEDMP C[NH+](C)C1(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)CCCC1 ZINC001114627317 826301629 /nfs/dbraw/zinc/30/16/29/826301629.db2.gz UPPATNFLKFPQIU-HALDLXJZSA-N 2 1 347.463 -0.063 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC001115013726 826400235 /nfs/dbraw/zinc/40/02/35/826400235.db2.gz RYUGQWFRZSENHW-CBZIJGRNSA-N 2 1 346.475 -0.097 20 30 EBEDMP CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21)[NH+]1CCCC1 ZINC001115306403 826504122 /nfs/dbraw/zinc/50/41/22/826504122.db2.gz NXYIXUMGCVGQHM-YQFWSFKMSA-N 2 1 347.463 -0.207 20 30 EBEDMP CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21)[NH+]1CCCC1 ZINC001115306403 826504125 /nfs/dbraw/zinc/50/41/25/826504125.db2.gz NXYIXUMGCVGQHM-YQFWSFKMSA-N 2 1 347.463 -0.207 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001181653086 833170886 /nfs/dbraw/zinc/17/08/86/833170886.db2.gz VJMRQRJAJHDXHE-CHWSQXEVSA-N 2 1 337.424 -0.717 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001133313239 829620525 /nfs/dbraw/zinc/62/05/25/829620525.db2.gz BUYNANFETQYAPS-ZFWWWQNUSA-N 2 1 346.435 -0.095 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134804860 829849048 /nfs/dbraw/zinc/84/90/48/829849048.db2.gz LZSYSQNRAHLYMK-STQMWFEESA-N 2 1 349.435 -0.028 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134804856 829849258 /nfs/dbraw/zinc/84/92/58/829849258.db2.gz LZSYSQNRAHLYMK-CHWSQXEVSA-N 2 1 349.435 -0.028 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135905849 830040805 /nfs/dbraw/zinc/04/08/05/830040805.db2.gz LLRWBLGWBRSIKH-ZDUSSCGKSA-N 2 1 340.387 -0.275 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147724229 830401453 /nfs/dbraw/zinc/40/14/53/830401453.db2.gz ICJBCLIYDTVBHG-GDBMZVCRSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001147773989 830410027 /nfs/dbraw/zinc/41/00/27/830410027.db2.gz OLNOBANNRDKOKD-HUUCEWRRSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001148278000 830463739 /nfs/dbraw/zinc/46/37/39/830463739.db2.gz QUWMQLNPSVQCJP-OAHLLOKOSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001148278000 830463747 /nfs/dbraw/zinc/46/37/47/830463747.db2.gz QUWMQLNPSVQCJP-OAHLLOKOSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001148278000 830463752 /nfs/dbraw/zinc/46/37/52/830463752.db2.gz QUWMQLNPSVQCJP-OAHLLOKOSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001148278000 830463757 /nfs/dbraw/zinc/46/37/57/830463757.db2.gz QUWMQLNPSVQCJP-OAHLLOKOSA-N 2 1 332.448 -0.246 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001148611479 830518683 /nfs/dbraw/zinc/51/86/83/830518683.db2.gz APHIAVOBAKNABB-UHFFFAOYSA-N 2 1 331.420 -0.744 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001148611479 830518689 /nfs/dbraw/zinc/51/86/89/830518689.db2.gz APHIAVOBAKNABB-UHFFFAOYSA-N 2 1 331.420 -0.744 20 30 EBEDMP CC[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[NH+](CC#CCOC)C3)C1 ZINC001148791828 830541191 /nfs/dbraw/zinc/54/11/91/830541191.db2.gz RXLBJFPFLURYBA-INIZCTEOSA-N 2 1 335.448 -0.109 20 30 EBEDMP CC[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[NH+](CC#CCOC)C3)C1 ZINC001148791828 830541201 /nfs/dbraw/zinc/54/12/01/830541201.db2.gz RXLBJFPFLURYBA-INIZCTEOSA-N 2 1 335.448 -0.109 20 30 EBEDMP CC[NH+]1CCO[C@H](C(=O)N2CC3(C2)CC[N@H+](CC#CCOC)C3)C1 ZINC001148791828 830541207 /nfs/dbraw/zinc/54/12/07/830541207.db2.gz RXLBJFPFLURYBA-INIZCTEOSA-N 2 1 335.448 -0.109 20 30 EBEDMP CC[NH+]1CCO[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC#CCOC)C3)C1 ZINC001148791828 830541216 /nfs/dbraw/zinc/54/12/16/830541216.db2.gz RXLBJFPFLURYBA-INIZCTEOSA-N 2 1 335.448 -0.109 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001148845229 830547237 /nfs/dbraw/zinc/54/72/37/830547237.db2.gz ZOEROHZWLOETSV-HNNXBMFYSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001148845229 830547245 /nfs/dbraw/zinc/54/72/45/830547245.db2.gz ZOEROHZWLOETSV-HNNXBMFYSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001148845229 830547257 /nfs/dbraw/zinc/54/72/57/830547257.db2.gz ZOEROHZWLOETSV-HNNXBMFYSA-N 2 1 334.464 -0.001 20 30 EBEDMP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156126415 831456786 /nfs/dbraw/zinc/45/67/86/831456786.db2.gz YKDLWOOZJYPZRS-OAHLLOKOSA-N 2 1 338.452 -0.387 20 30 EBEDMP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156126415 831456790 /nfs/dbraw/zinc/45/67/90/831456790.db2.gz YKDLWOOZJYPZRS-OAHLLOKOSA-N 2 1 338.452 -0.387 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158421311 831653623 /nfs/dbraw/zinc/65/36/23/831653623.db2.gz UFSUYLLZXDQALE-CHWSQXEVSA-N 2 1 339.440 -0.566 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001159883218 831791780 /nfs/dbraw/zinc/79/17/80/831791780.db2.gz PZNGTHHDKSPALL-LSDHHAIUSA-N 2 1 348.451 -0.953 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCCOCC ZINC001160198255 831824973 /nfs/dbraw/zinc/82/49/73/831824973.db2.gz YOIUDAOMZVSGLW-HNNXBMFYSA-N 2 1 338.452 -0.667 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCCOCC ZINC001160198255 831824976 /nfs/dbraw/zinc/82/49/76/831824976.db2.gz YOIUDAOMZVSGLW-HNNXBMFYSA-N 2 1 338.452 -0.667 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)NCCC1=CCN(CC(=O)NCC#N)CC1 ZINC001160677085 831877617 /nfs/dbraw/zinc/87/76/17/831877617.db2.gz PLSAFGFIIUQTPC-UHFFFAOYSA-N 2 1 344.419 -0.030 20 30 EBEDMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC1=CC[NH+](CC(=O)NCC#N)CC1 ZINC001161205833 831937472 /nfs/dbraw/zinc/93/74/72/831937472.db2.gz HGLUYEHWESMVGB-ZBFHGGJFSA-N 2 1 347.463 -0.038 20 30 EBEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC1=CC[NH+](CC(=O)NCC#N)CC1 ZINC001161205833 831937476 /nfs/dbraw/zinc/93/74/76/831937476.db2.gz HGLUYEHWESMVGB-ZBFHGGJFSA-N 2 1 347.463 -0.038 20 30 EBEDMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCCC1=CC[N@H+](CC(=O)NCC#N)CC1 ZINC001161205833 831937481 /nfs/dbraw/zinc/93/74/81/831937481.db2.gz HGLUYEHWESMVGB-ZBFHGGJFSA-N 2 1 347.463 -0.038 20 30 EBEDMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCCC1=CC[N@@H+](CC(=O)NCC#N)CC1 ZINC001161205833 831937484 /nfs/dbraw/zinc/93/74/84/831937484.db2.gz HGLUYEHWESMVGB-ZBFHGGJFSA-N 2 1 347.463 -0.038 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872165 832068449 /nfs/dbraw/zinc/06/84/49/832068449.db2.gz IOBMTXTXBCCBQC-XYSPPFBYSA-N 2 1 348.447 -0.917 20 30 EBEDMP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CC(=O)NCC#N)CC2)CC[N@H+]1C ZINC001164578847 832199300 /nfs/dbraw/zinc/19/93/00/832199300.db2.gz WAKLISZWNXHHSN-ZIAGYGMSSA-N 2 1 335.452 -0.158 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001176636671 832684764 /nfs/dbraw/zinc/68/47/64/832684764.db2.gz SIEQLUKGHIROBJ-UONOGXRCSA-N 2 1 326.441 -0.506 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001176636671 832684767 /nfs/dbraw/zinc/68/47/67/832684767.db2.gz SIEQLUKGHIROBJ-UONOGXRCSA-N 2 1 326.441 -0.506 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001176636669 832685008 /nfs/dbraw/zinc/68/50/08/832685008.db2.gz SIEQLUKGHIROBJ-KBPBESRZSA-N 2 1 326.441 -0.506 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001176636669 832685009 /nfs/dbraw/zinc/68/50/09/832685009.db2.gz SIEQLUKGHIROBJ-KBPBESRZSA-N 2 1 326.441 -0.506 20 30 EBEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1=O ZINC001176644264 832685968 /nfs/dbraw/zinc/68/59/68/832685968.db2.gz NQECEDJSGDUMFW-CABCVRRESA-N 2 1 338.452 -0.410 20 30 EBEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1=O ZINC001176644264 832685970 /nfs/dbraw/zinc/68/59/70/832685970.db2.gz NQECEDJSGDUMFW-CABCVRRESA-N 2 1 338.452 -0.410 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178982946 832938322 /nfs/dbraw/zinc/93/83/22/832938322.db2.gz UKVIUMIVEWBWBJ-CBBWQLFWSA-N 2 1 336.436 -0.966 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178982946 832938325 /nfs/dbraw/zinc/93/83/25/832938325.db2.gz UKVIUMIVEWBWBJ-CBBWQLFWSA-N 2 1 336.436 -0.966 20 30 EBEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187817823 833969765 /nfs/dbraw/zinc/96/97/65/833969765.db2.gz KGNZAHASERNVAT-HUUCEWRRSA-N 2 1 335.452 -0.109 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189484115 834161834 /nfs/dbraw/zinc/16/18/34/834161834.db2.gz CRVDSJXEMXVZBO-OWCLPIDISA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189484115 834161836 /nfs/dbraw/zinc/16/18/36/834161836.db2.gz CRVDSJXEMXVZBO-OWCLPIDISA-N 2 1 334.464 -0.001 20 30 EBEDMP C[N@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190195376 834243228 /nfs/dbraw/zinc/24/32/28/834243228.db2.gz FXAJGGUSMLBGLL-HUUCEWRRSA-N 2 1 333.436 -0.499 20 30 EBEDMP C[N@@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190195376 834243229 /nfs/dbraw/zinc/24/32/29/834243229.db2.gz FXAJGGUSMLBGLL-HUUCEWRRSA-N 2 1 333.436 -0.499 20 30 EBEDMP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190643463 834307219 /nfs/dbraw/zinc/30/72/19/834307219.db2.gz BXUGJQGOMBZHOD-IRXDYDNUSA-N 2 1 347.463 -0.004 20 30 EBEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190643463 834307228 /nfs/dbraw/zinc/30/72/28/834307228.db2.gz BXUGJQGOMBZHOD-IRXDYDNUSA-N 2 1 347.463 -0.004 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)C[C@@H](O)COC)C2)CC1 ZINC001194247326 835059686 /nfs/dbraw/zinc/05/96/86/835059686.db2.gz WPHNZEUKNIGOMY-IAGOWNOFSA-N 2 1 337.464 -0.128 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)[C@H](C)C(=O)NC)C2)CC1 ZINC001194246331 835060003 /nfs/dbraw/zinc/06/00/03/835060003.db2.gz LEKYBISKQNUYNE-GDBMZVCRSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001200657769 836010704 /nfs/dbraw/zinc/01/07/04/836010704.db2.gz AVCJSLHKBQDZEE-JKSUJKDBSA-N 2 1 348.447 -0.820 20 30 EBEDMP C=CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001204876495 836534920 /nfs/dbraw/zinc/53/49/20/836534920.db2.gz YOKCGGSIARRWPX-OAHLLOKOSA-N 2 1 338.452 -0.553 20 30 EBEDMP C=CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001204876495 836534923 /nfs/dbraw/zinc/53/49/23/836534923.db2.gz YOKCGGSIARRWPX-OAHLLOKOSA-N 2 1 338.452 -0.553 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001205704157 836586278 /nfs/dbraw/zinc/58/62/78/836586278.db2.gz VPBKXUYQPNZXOW-UHFFFAOYSA-N 2 1 331.420 -0.231 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001210132990 837241566 /nfs/dbraw/zinc/24/15/66/837241566.db2.gz KKOFDXZUQOAYQC-OAHLLOKOSA-N 2 1 336.436 -0.961 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(OC)nc1 ZINC001320236230 838721665 /nfs/dbraw/zinc/72/16/65/838721665.db2.gz XBZVRHJXWKMHHO-HOTGVXAUSA-N 2 1 346.431 -0.246 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(OC)nc1 ZINC001320236230 838721667 /nfs/dbraw/zinc/72/16/67/838721667.db2.gz XBZVRHJXWKMHHO-HOTGVXAUSA-N 2 1 346.431 -0.246 20 30 EBEDMP Cc1[nH+]cc2n1C[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N)CC2 ZINC001321211794 838937239 /nfs/dbraw/zinc/93/72/39/838937239.db2.gz SAHKMDPQJPQTDL-PYLYLYNFSA-N 2 1 344.419 -0.344 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001321710831 839059625 /nfs/dbraw/zinc/05/96/25/839059625.db2.gz UMWCKYMOHPHIKL-CHWSQXEVSA-N 2 1 339.440 -0.566 20 30 EBEDMP C[NH+](C)CC1(C(=O)N2CC[C@]3(CC[N@H+](CC(=O)NCC#N)C3)C2)CC1 ZINC001323858379 839543823 /nfs/dbraw/zinc/54/38/23/839543823.db2.gz CHIWLSDPXRZVCH-KRWDZBQOSA-N 2 1 347.463 -0.108 20 30 EBEDMP C[NH+](C)CC1(C(=O)N2CC[C@]3(CC[N@@H+](CC(=O)NCC#N)C3)C2)CC1 ZINC001323858379 839543830 /nfs/dbraw/zinc/54/38/30/839543830.db2.gz CHIWLSDPXRZVCH-KRWDZBQOSA-N 2 1 347.463 -0.108 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001328354140 840658966 /nfs/dbraw/zinc/65/89/66/840658966.db2.gz LPABLGXMTQSLHO-STQMWFEESA-N 2 1 337.424 -0.976 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001328354140 840658974 /nfs/dbraw/zinc/65/89/74/840658974.db2.gz LPABLGXMTQSLHO-STQMWFEESA-N 2 1 337.424 -0.976 20 30 EBEDMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001329257150 840884077 /nfs/dbraw/zinc/88/40/77/840884077.db2.gz XPIVLPVETLFRFH-WLYUNCDWSA-N 2 1 335.452 -0.063 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001332282671 841604811 /nfs/dbraw/zinc/60/48/11/841604811.db2.gz QGQFVXRRJPRPRW-CABCVRRESA-N 2 1 331.420 -0.185 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001691124863 1125836236 /nfs/dbraw/zinc/83/62/36/1125836236.db2.gz YTPOTXYSSCVMFE-DAYGRLMNSA-N 2 1 332.448 -0.294 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)CC1 ZINC001691171227 1125840520 /nfs/dbraw/zinc/84/05/20/1125840520.db2.gz PPXCGXWLTNHNSE-HNNXBMFYSA-N 2 1 345.447 -0.591 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)CC1 ZINC001691171227 1125840522 /nfs/dbraw/zinc/84/05/22/1125840522.db2.gz PPXCGXWLTNHNSE-HNNXBMFYSA-N 2 1 345.447 -0.591 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001480947121 1125889232 /nfs/dbraw/zinc/88/92/32/1125889232.db2.gz JAKVAKAOPVZCSF-CHWSQXEVSA-N 2 1 339.440 -0.614 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001480947121 1125889234 /nfs/dbraw/zinc/88/92/34/1125889234.db2.gz JAKVAKAOPVZCSF-CHWSQXEVSA-N 2 1 339.440 -0.614 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480947121 1125889236 /nfs/dbraw/zinc/88/92/36/1125889236.db2.gz JAKVAKAOPVZCSF-CHWSQXEVSA-N 2 1 339.440 -0.614 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001480947121 1125889237 /nfs/dbraw/zinc/88/92/37/1125889237.db2.gz JAKVAKAOPVZCSF-CHWSQXEVSA-N 2 1 339.440 -0.614 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001482861297 1126298494 /nfs/dbraw/zinc/29/84/94/1126298494.db2.gz USFLSKBXVIDNKL-QWHCGFSZSA-N 2 1 339.440 -0.423 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1C ZINC001482942047 1126304867 /nfs/dbraw/zinc/30/48/67/1126304867.db2.gz GPYQTSWHOIQUFJ-CYBMUJFWSA-N 2 1 339.440 -0.470 20 30 EBEDMP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CC(=O)NCC#N)C3)C1 ZINC001483832371 1126480680 /nfs/dbraw/zinc/48/06/80/1126480680.db2.gz HSIUGRGQYZVFLB-YJBOKZPZSA-N 2 1 347.463 -0.108 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CC(=O)NCC#N)C3)C1 ZINC001483832371 1126480681 /nfs/dbraw/zinc/48/06/81/1126480681.db2.gz HSIUGRGQYZVFLB-YJBOKZPZSA-N 2 1 347.463 -0.108 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC(=O)NCC#N)C3)C1 ZINC001483832371 1126480682 /nfs/dbraw/zinc/48/06/82/1126480682.db2.gz HSIUGRGQYZVFLB-YJBOKZPZSA-N 2 1 347.463 -0.108 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC(=O)NCC#N)C3)C1 ZINC001483832371 1126480683 /nfs/dbraw/zinc/48/06/83/1126480683.db2.gz HSIUGRGQYZVFLB-YJBOKZPZSA-N 2 1 347.463 -0.108 20 30 EBEDMP CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC(=O)NCC#N)C2)C1)[NH+](C)C ZINC001483843461 1126481629 /nfs/dbraw/zinc/48/16/29/1126481629.db2.gz UTBABDDKPQROGA-RHSMWYFYSA-N 2 1 335.452 -0.109 20 30 EBEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001484239416 1126536931 /nfs/dbraw/zinc/53/69/31/1126536931.db2.gz XQZAHNPNXGLSRA-XJKSGUPXSA-N 2 1 326.441 -0.818 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001485523490 1126741735 /nfs/dbraw/zinc/74/17/35/1126741735.db2.gz SXTAAHDAIZIPJN-UONOGXRCSA-N 2 1 334.464 -0.097 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001485649426 1126777873 /nfs/dbraw/zinc/77/78/73/1126777873.db2.gz OWMHKSCNONGLIX-OCCSQVGLSA-N 2 1 348.407 -0.963 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001488755772 1128838798 /nfs/dbraw/zinc/83/87/98/1128838798.db2.gz YFLACEWBBROYLQ-SOUVJXGZSA-N 2 1 331.420 -0.186 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001691742693 1129715333 /nfs/dbraw/zinc/71/53/33/1129715333.db2.gz HAZLPFPVHFMXGQ-FPCVCCKLSA-N 2 1 334.464 -0.050 20 30 EBEDMP N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001490902080 1130232922 /nfs/dbraw/zinc/23/29/22/1130232922.db2.gz BWAHMMMQSKCUCJ-ZQDZILKHSA-N 2 1 333.436 -0.120 20 30 EBEDMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2C[NH2+]CC(=O)NCC#N)C1 ZINC001491264624 1130377908 /nfs/dbraw/zinc/37/79/08/1130377908.db2.gz UEIIPCNFOBIJDH-CABCVRRESA-N 2 1 335.452 -0.061 20 30 EBEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261860515 379223865 /nfs/dbraw/zinc/22/38/65/379223865.db2.gz YIEPURPWHCWKRO-ZDUSSCGKSA-N 2 1 333.440 -0.262 20 30 EBEDMP O=C1C[C@]2(CC[N@@H+](CC#CC[NH+]3CC[C@]4(CNC(=O)C4)C3)C2)CN1 ZINC000375329230 380837970 /nfs/dbraw/zinc/83/79/70/380837970.db2.gz YHIKFKBLORRKSR-HDICACEKSA-N 2 1 330.432 -0.586 20 30 EBEDMP O=C1C[C@]2(CC[NH+](CC#CC[N@@H+]3CC[C@]4(CNC(=O)C4)C3)C2)CN1 ZINC000375329230 380837974 /nfs/dbraw/zinc/83/79/74/380837974.db2.gz YHIKFKBLORRKSR-HDICACEKSA-N 2 1 330.432 -0.586 20 30 EBEDMP O=C1C[C@]2(CC[NH+](CC#CC[N@H+]3CC[C@]4(CNC(=O)C4)C3)C2)CN1 ZINC000375329230 380837981 /nfs/dbraw/zinc/83/79/81/380837981.db2.gz YHIKFKBLORRKSR-HDICACEKSA-N 2 1 330.432 -0.586 20 30 EBEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1COC2(CCOCC2)O1 ZINC000305848358 380929242 /nfs/dbraw/zinc/92/92/42/380929242.db2.gz TZQGSQWBASUQAN-CQSZACIVSA-N 2 1 342.440 -0.465 20 30 EBEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000849074550 584165735 /nfs/dbraw/zinc/16/57/35/584165735.db2.gz WWASNSANUAYSPE-HUUCEWRRSA-N 2 1 325.457 -0.653 20 30 EBEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000884127636 584614823 /nfs/dbraw/zinc/61/48/23/584614823.db2.gz JHQREEWSSCAZQN-CVEARBPZSA-N 2 1 349.479 -0.029 20 30 EBEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000884127636 584614826 /nfs/dbraw/zinc/61/48/26/584614826.db2.gz JHQREEWSSCAZQN-CVEARBPZSA-N 2 1 349.479 -0.029 20 30 EBEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000884127636 584614827 /nfs/dbraw/zinc/61/48/27/584614827.db2.gz JHQREEWSSCAZQN-CVEARBPZSA-N 2 1 349.479 -0.029 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000884127636 584614830 /nfs/dbraw/zinc/61/48/30/584614830.db2.gz JHQREEWSSCAZQN-CVEARBPZSA-N 2 1 349.479 -0.029 20 30 EBEDMP C[NH+]=C(NCCN1CCOCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261780098 649984820 /nfs/dbraw/zinc/98/48/20/649984820.db2.gz PYUWLHCRVIHUJR-MRXNPFEDSA-N 2 1 339.484 -0.452 20 30 EBEDMP C[NH+]=C(NCc1nnc2n1CCC2)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261872137 649985458 /nfs/dbraw/zinc/98/54/58/649985458.db2.gz ZUPQPEBPJBRGJN-AWEZNQCLSA-N 2 1 347.467 -0.046 20 30 EBEDMP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000303876440 649993165 /nfs/dbraw/zinc/99/31/65/649993165.db2.gz FATJPVGBZMLLRJ-INIZCTEOSA-N 3 1 340.516 -0.361 20 30 EBEDMP CC#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000958076626 722301396 /nfs/dbraw/zinc/30/13/96/722301396.db2.gz ITMGCBGSJVAQOA-GOEBONIOSA-N 2 1 333.436 -0.510 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000968954910 725133967 /nfs/dbraw/zinc/13/39/67/725133967.db2.gz XWNQWKAXNZXJKS-CABCVRRESA-N 2 1 333.436 -0.700 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000968954910 725133968 /nfs/dbraw/zinc/13/39/68/725133968.db2.gz XWNQWKAXNZXJKS-CABCVRRESA-N 2 1 333.436 -0.700 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+]([C@@H]3CCN(C)C3=O)C2)CC1 ZINC000970920059 725341985 /nfs/dbraw/zinc/34/19/85/725341985.db2.gz IORVJYFLTRDBHD-RHSMWYFYSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)C[N@H+](CCO)CCO3)CC1 ZINC000972687526 725581153 /nfs/dbraw/zinc/58/11/53/725581153.db2.gz HPSARJQTUXIRTE-GOSISDBHSA-N 2 1 335.448 -0.373 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)C[N@@H+](CCO)CCO3)CC1 ZINC000972687526 725581155 /nfs/dbraw/zinc/58/11/55/725581155.db2.gz HPSARJQTUXIRTE-GOSISDBHSA-N 2 1 335.448 -0.373 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000994753574 726074124 /nfs/dbraw/zinc/07/41/24/726074124.db2.gz IXBIHAHMDVNSAF-BMFZPTHFSA-N 2 1 332.448 -0.249 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000994753574 726074129 /nfs/dbraw/zinc/07/41/29/726074129.db2.gz IXBIHAHMDVNSAF-BMFZPTHFSA-N 2 1 332.448 -0.249 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000994753574 726074132 /nfs/dbraw/zinc/07/41/32/726074132.db2.gz IXBIHAHMDVNSAF-BMFZPTHFSA-N 2 1 332.448 -0.249 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000994753574 726074137 /nfs/dbraw/zinc/07/41/37/726074137.db2.gz IXBIHAHMDVNSAF-BMFZPTHFSA-N 2 1 332.448 -0.249 20 30 EBEDMP 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20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N ZINC001226860950 811888349 /nfs/dbraw/zinc/88/83/49/811888349.db2.gz VSVBOHDUZCAVTN-OAGGEKHMSA-N 2 1 345.447 -0.259 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001227454894 811922740 /nfs/dbraw/zinc/92/27/40/811922740.db2.gz XEOWVERRPRMVBN-HOTGVXAUSA-N 2 1 348.447 -0.820 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001227454894 811922745 /nfs/dbraw/zinc/92/27/45/811922745.db2.gz XEOWVERRPRMVBN-HOTGVXAUSA-N 2 1 348.447 -0.820 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001230046572 812070915 /nfs/dbraw/zinc/07/09/15/812070915.db2.gz DUTRYRDCOIDARN-AWEZNQCLSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230034764 812071048 /nfs/dbraw/zinc/07/10/48/812071048.db2.gz NMBGFQOGNORZMW-CQSZACIVSA-N 2 1 338.452 -0.717 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001264096874 813149200 /nfs/dbraw/zinc/14/92/00/813149200.db2.gz VAXKWRGJGUEJMM-PMPSAXMXSA-N 2 1 334.464 -0.144 20 30 EBEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001265609647 813350266 /nfs/dbraw/zinc/35/02/66/813350266.db2.gz UOEZYHAWYIVAND-QLFBSQMISA-N 2 1 335.452 -0.205 20 30 EBEDMP CC#CC[NH+]1CCN(CCNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001266285811 813513957 /nfs/dbraw/zinc/51/39/57/813513957.db2.gz OBCFIQHNSZXYLL-UHFFFAOYSA-N 2 1 346.479 -0.185 20 30 EBEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001266320812 813528535 /nfs/dbraw/zinc/52/85/35/813528535.db2.gz GTZPNDBSAKXMPC-HNNXBMFYSA-N 2 1 333.436 -0.101 20 30 EBEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001266320812 813528537 /nfs/dbraw/zinc/52/85/37/813528537.db2.gz GTZPNDBSAKXMPC-HNNXBMFYSA-N 2 1 333.436 -0.101 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001266626499 813626441 /nfs/dbraw/zinc/62/64/41/813626441.db2.gz MHFKFAIMKQTWBP-FPCVCCKLSA-N 2 1 332.448 -0.011 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001266626365 813626784 /nfs/dbraw/zinc/62/67/84/813626784.db2.gz HFVDGBYIJAXJSZ-RBSFLKMASA-N 2 1 338.452 -0.364 20 30 EBEDMP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@H+](CC(=O)NCC#N)C2)CCC1 ZINC001266752957 813662148 /nfs/dbraw/zinc/66/21/48/813662148.db2.gz YKWUYFOJESOMSC-CQSZACIVSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@@H+](CC(=O)NCC#N)C2)CCC1 ZINC001266752957 813662155 /nfs/dbraw/zinc/66/21/55/813662155.db2.gz YKWUYFOJESOMSC-CQSZACIVSA-N 2 1 335.452 -0.061 20 30 EBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001081959684 813691575 /nfs/dbraw/zinc/69/15/75/813691575.db2.gz SHJSKAOJJBGOQP-YLADIXGZSA-N 2 1 333.432 -0.312 20 30 EBEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001081959684 813691580 /nfs/dbraw/zinc/69/15/80/813691580.db2.gz SHJSKAOJJBGOQP-YLADIXGZSA-N 2 1 333.432 -0.312 20 30 EBEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001081959684 813691584 /nfs/dbraw/zinc/69/15/84/813691584.db2.gz SHJSKAOJJBGOQP-YLADIXGZSA-N 2 1 333.432 -0.312 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001266901822 813696353 /nfs/dbraw/zinc/69/63/53/813696353.db2.gz AGSARVPFMYWHCB-ZNFSNMQZSA-N 2 1 344.459 -0.201 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001266901822 813696356 /nfs/dbraw/zinc/69/63/56/813696356.db2.gz AGSARVPFMYWHCB-ZNFSNMQZSA-N 2 1 344.459 -0.201 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001266901822 813696358 /nfs/dbraw/zinc/69/63/58/813696358.db2.gz AGSARVPFMYWHCB-ZNFSNMQZSA-N 2 1 344.459 -0.201 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001266901822 813696362 /nfs/dbraw/zinc/69/63/62/813696362.db2.gz AGSARVPFMYWHCB-ZNFSNMQZSA-N 2 1 344.459 -0.201 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267303979 813836247 /nfs/dbraw/zinc/83/62/47/813836247.db2.gz CLQZNXLNDIWADE-INIZCTEOSA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001267557795 813929011 /nfs/dbraw/zinc/92/90/11/813929011.db2.gz MRWITLBZUZFKKW-ULQDDVLXSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](C[C@H](O)COC)C1 ZINC001267557795 813929020 /nfs/dbraw/zinc/92/90/20/813929020.db2.gz MRWITLBZUZFKKW-ULQDDVLXSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](C[C@H](O)COC)C1 ZINC001267557795 813929028 /nfs/dbraw/zinc/92/90/28/813929028.db2.gz MRWITLBZUZFKKW-ULQDDVLXSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](C[C@H](O)COC)C1 ZINC001267557795 813929038 /nfs/dbraw/zinc/92/90/38/813929038.db2.gz MRWITLBZUZFKKW-ULQDDVLXSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268236764 814153511 /nfs/dbraw/zinc/15/35/11/814153511.db2.gz GQTDICHJRXPFAC-ZBFHGGJFSA-N 2 1 334.464 -0.144 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268236764 814153515 /nfs/dbraw/zinc/15/35/15/814153515.db2.gz GQTDICHJRXPFAC-ZBFHGGJFSA-N 2 1 334.464 -0.144 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001268784550 814385198 /nfs/dbraw/zinc/38/51/98/814385198.db2.gz XKJLIOINJFKMGP-ZDUSSCGKSA-N 2 1 339.440 -0.470 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(=O)NC1CC1)C1CC1 ZINC001269079307 814518401 /nfs/dbraw/zinc/51/84/01/814518401.db2.gz IGDGGFPVPRBGLA-CVEARBPZSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(=O)NC1CC1)C1CC1 ZINC001269079307 814518408 /nfs/dbraw/zinc/51/84/08/814518408.db2.gz IGDGGFPVPRBGLA-CVEARBPZSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+]([C@H](C)C(=O)NC)C[C@H]32)CC1 ZINC001084851071 815994622 /nfs/dbraw/zinc/99/46/22/815994622.db2.gz LZYRNRNJFSWNAT-DJIMGWMZSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+]([C@H](C)C(=O)NC)C[C@H]32)CC1 ZINC001084851071 815994624 /nfs/dbraw/zinc/99/46/24/815994624.db2.gz LZYRNRNJFSWNAT-DJIMGWMZSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C(C)C ZINC001271854344 816230219 /nfs/dbraw/zinc/23/02/19/816230219.db2.gz OKYSQGJRTYBRKU-OLZOCXBDSA-N 2 1 337.424 -0.991 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C(C)C ZINC001271854344 816230224 /nfs/dbraw/zinc/23/02/24/816230224.db2.gz OKYSQGJRTYBRKU-OLZOCXBDSA-N 2 1 337.424 -0.991 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1 ZINC001086983148 816434664 /nfs/dbraw/zinc/43/46/64/816434664.db2.gz ZCSRBPCHHVESFW-BBWFWOEESA-N 2 1 345.447 -0.606 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1 ZINC001086983148 816434669 /nfs/dbraw/zinc/43/46/69/816434669.db2.gz ZCSRBPCHHVESFW-BBWFWOEESA-N 2 1 345.447 -0.606 20 30 EBEDMP CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@H](C[NH2+]CC#CCOC)C2)C1 ZINC001273359112 816653924 /nfs/dbraw/zinc/65/39/24/816653924.db2.gz SKPRPOAUUFMHGX-CVEARBPZSA-N 2 1 339.436 -0.826 20 30 EBEDMP CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@H](C[NH2+]CC#CCOC)C2)C1 ZINC001273359112 816653928 /nfs/dbraw/zinc/65/39/28/816653928.db2.gz SKPRPOAUUFMHGX-CVEARBPZSA-N 2 1 339.436 -0.826 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001273495703 816684343 /nfs/dbraw/zinc/68/43/43/816684343.db2.gz HXEIZRVVRWJRNG-CABCVRRESA-N 2 1 340.468 -0.212 20 30 EBEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](O)C1 ZINC001090275060 817215416 /nfs/dbraw/zinc/21/54/16/817215416.db2.gz XXDFLZCYFLIDBQ-GOEBONIOSA-N 2 1 333.436 -0.367 20 30 EBEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](O)C1 ZINC001090275060 817215420 /nfs/dbraw/zinc/21/54/20/817215420.db2.gz XXDFLZCYFLIDBQ-GOEBONIOSA-N 2 1 333.436 -0.367 20 30 EBEDMP COCC#CC[NH2+][C@@H](CO)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001278179013 817718897 /nfs/dbraw/zinc/71/88/97/817718897.db2.gz NFACGTVQWKDRFF-OAHLLOKOSA-N 2 1 343.387 -0.403 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001278820836 817849728 /nfs/dbraw/zinc/84/97/28/817849728.db2.gz GKJQEEWFLNYYEL-WMLDXEAASA-N 2 1 338.452 -0.981 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@](O)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001278820836 817849737 /nfs/dbraw/zinc/84/97/37/817849737.db2.gz GKJQEEWFLNYYEL-WMLDXEAASA-N 2 1 338.452 -0.981 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)CCC)C1 ZINC001278820836 817849743 /nfs/dbraw/zinc/84/97/43/817849743.db2.gz GKJQEEWFLNYYEL-WMLDXEAASA-N 2 1 338.452 -0.981 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)CCC)C1 ZINC001278820836 817849749 /nfs/dbraw/zinc/84/97/49/817849749.db2.gz GKJQEEWFLNYYEL-WMLDXEAASA-N 2 1 338.452 -0.981 20 30 EBEDMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC#CCOC ZINC001278840698 817859609 /nfs/dbraw/zinc/85/96/09/817859609.db2.gz ZGAVYHJJZDQJSR-HOTGVXAUSA-N 2 1 325.453 -0.081 20 30 EBEDMP C[N@@H+]1CCO[C@@H](C(=O)N(CCO)CC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001279680122 817967810 /nfs/dbraw/zinc/96/78/10/817967810.db2.gz KLFHUADJSHTVIW-QGZVFWFLSA-N 2 1 346.431 -0.201 20 30 EBEDMP C[N@H+]1CCO[C@@H](C(=O)N(CCO)CC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001279680122 817967815 /nfs/dbraw/zinc/96/78/15/817967815.db2.gz KLFHUADJSHTVIW-QGZVFWFLSA-N 2 1 346.431 -0.201 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]Cc3nnnn3C)C2)CC1 ZINC001091377645 817975424 /nfs/dbraw/zinc/97/54/24/817975424.db2.gz RHQLEAZHDHWYEE-UHFFFAOYSA-N 2 1 345.451 -0.460 20 30 EBEDMP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]2C1 ZINC001282960054 818550153 /nfs/dbraw/zinc/55/01/53/818550153.db2.gz XNDHYIHULZHRTD-RRFJBIMHSA-N 2 1 335.452 -0.205 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001283043031 818604101 /nfs/dbraw/zinc/60/41/01/818604101.db2.gz BUCATAJUJNJQEQ-YHUYYLMFSA-N 2 1 334.464 -0.050 20 30 EBEDMP C[NH+](C)CCC(=O)NCCC[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC001096258684 818758747 /nfs/dbraw/zinc/75/87/47/818758747.db2.gz DFKWOVKJZVUHPO-UHFFFAOYSA-N 2 1 345.451 -0.072 20 30 EBEDMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001283528213 818841005 /nfs/dbraw/zinc/84/10/05/818841005.db2.gz BGRDKYYWPPSPFS-GJZGRUSLSA-N 2 1 335.452 -0.063 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCNC2=O)CC1 ZINC001096608102 818858635 /nfs/dbraw/zinc/85/86/35/818858635.db2.gz QHAJVJLMLJUICS-LTIDMASMSA-N 2 1 344.459 -0.058 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCNC2=O)CC1 ZINC001096608102 818858642 /nfs/dbraw/zinc/85/86/42/818858642.db2.gz QHAJVJLMLJUICS-LTIDMASMSA-N 2 1 344.459 -0.058 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001285756838 819759507 /nfs/dbraw/zinc/75/95/07/819759507.db2.gz ZXFNDHLQARHZBB-GJZGRUSLSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001285756838 819759512 /nfs/dbraw/zinc/75/95/12/819759512.db2.gz ZXFNDHLQARHZBB-GJZGRUSLSA-N 2 1 332.448 -0.199 20 30 EBEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001100008511 820021744 /nfs/dbraw/zinc/02/17/44/820021744.db2.gz JKOMZUHBXZFXIS-HZPDHXFCSA-N 2 1 337.464 -0.081 20 30 EBEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001100008511 820021750 /nfs/dbraw/zinc/02/17/50/820021750.db2.gz JKOMZUHBXZFXIS-HZPDHXFCSA-N 2 1 337.464 -0.081 20 30 EBEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001100008511 820021761 /nfs/dbraw/zinc/02/17/61/820021761.db2.gz JKOMZUHBXZFXIS-HZPDHXFCSA-N 2 1 337.464 -0.081 20 30 EBEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001100008511 820021771 /nfs/dbraw/zinc/02/17/71/820021771.db2.gz JKOMZUHBXZFXIS-HZPDHXFCSA-N 2 1 337.464 -0.081 20 30 EBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102049883 821012407 /nfs/dbraw/zinc/01/24/07/821012407.db2.gz ILGMFRCVJLMFCX-ZIAGYGMSSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001102049883 821012412 /nfs/dbraw/zinc/01/24/12/821012412.db2.gz ILGMFRCVJLMFCX-ZIAGYGMSSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001102049883 821012419 /nfs/dbraw/zinc/01/24/19/821012419.db2.gz ILGMFRCVJLMFCX-ZIAGYGMSSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001102090981 821023645 /nfs/dbraw/zinc/02/36/45/821023645.db2.gz MPRMAEVXRGETPP-RBSFLKMASA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001102090981 821023655 /nfs/dbraw/zinc/02/36/55/821023655.db2.gz MPRMAEVXRGETPP-RBSFLKMASA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001102090981 821023666 /nfs/dbraw/zinc/02/36/66/821023666.db2.gz MPRMAEVXRGETPP-RBSFLKMASA-N 2 1 335.452 -0.205 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317085635 821998769 /nfs/dbraw/zinc/99/87/69/821998769.db2.gz KXHQSTZLFRWQEW-HDJSIYSDSA-N 2 1 331.420 -0.007 20 30 EBEDMP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001317207222 822036847 /nfs/dbraw/zinc/03/68/47/822036847.db2.gz UQRWYTPCIUIZBS-GJZGRUSLSA-N 2 1 347.463 -0.061 20 30 EBEDMP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001317207222 822036850 /nfs/dbraw/zinc/03/68/50/822036850.db2.gz UQRWYTPCIUIZBS-GJZGRUSLSA-N 2 1 347.463 -0.061 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001317213588 822038116 /nfs/dbraw/zinc/03/81/16/822038116.db2.gz DUBDPAHEEQTBQQ-NPCUJANDSA-N 2 1 332.448 -0.488 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317213588 822038125 /nfs/dbraw/zinc/03/81/25/822038125.db2.gz DUBDPAHEEQTBQQ-NPCUJANDSA-N 2 1 332.448 -0.488 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001317213588 822038135 /nfs/dbraw/zinc/03/81/35/822038135.db2.gz DUBDPAHEEQTBQQ-NPCUJANDSA-N 2 1 332.448 -0.488 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001317467004 822120470 /nfs/dbraw/zinc/12/04/70/822120470.db2.gz NIJIGERZRNLLRO-CYBMUJFWSA-N 2 1 339.440 -0.612 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001317467004 822120475 /nfs/dbraw/zinc/12/04/75/822120475.db2.gz NIJIGERZRNLLRO-CYBMUJFWSA-N 2 1 339.440 -0.612 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317467004 822120477 /nfs/dbraw/zinc/12/04/77/822120477.db2.gz NIJIGERZRNLLRO-CYBMUJFWSA-N 2 1 339.440 -0.612 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001317467004 822120478 /nfs/dbraw/zinc/12/04/78/822120478.db2.gz NIJIGERZRNLLRO-CYBMUJFWSA-N 2 1 339.440 -0.612 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001317478144 822125714 /nfs/dbraw/zinc/12/57/14/822125714.db2.gz DCMMTWXDVYWWAK-GDBMZVCRSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001317478144 822125718 /nfs/dbraw/zinc/12/57/18/822125718.db2.gz DCMMTWXDVYWWAK-GDBMZVCRSA-N 2 1 334.464 -0.096 20 30 EBEDMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106881409 822347839 /nfs/dbraw/zinc/34/78/39/822347839.db2.gz DVGMDOWKZKYFTH-QLFBSQMISA-N 2 1 335.452 -0.348 20 30 EBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1=O ZINC001129386921 828610970 /nfs/dbraw/zinc/61/09/70/828610970.db2.gz QUJHBEQHPWYBHB-CABCVRRESA-N 2 1 348.451 -0.694 20 30 EBEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717497 828659231 /nfs/dbraw/zinc/65/92/31/828659231.db2.gz LRUJITISXDHRKI-OWCLPIDISA-N 2 1 348.451 -0.084 20 30 EBEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717497 828659234 /nfs/dbraw/zinc/65/92/34/828659234.db2.gz LRUJITISXDHRKI-OWCLPIDISA-N 2 1 348.451 -0.084 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCNCc1cn(CC2CC2)nn1 ZINC001129770198 828666603 /nfs/dbraw/zinc/66/66/03/828666603.db2.gz CMDIBZAEVYPMCF-INIZCTEOSA-N 2 1 330.436 -0.009 20 30 EBEDMP C=CCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001130040719 828719355 /nfs/dbraw/zinc/71/93/55/828719355.db2.gz IIGBWTBVYUXXBP-CVEARBPZSA-N 2 1 348.451 -0.082 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111282181 825043524 /nfs/dbraw/zinc/04/35/24/825043524.db2.gz FEHXFKBMUPCWEN-JJXSEGSLSA-N 2 1 344.459 -0.058 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111282181 825043532 /nfs/dbraw/zinc/04/35/32/825043532.db2.gz FEHXFKBMUPCWEN-JJXSEGSLSA-N 2 1 344.459 -0.058 20 30 EBEDMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1 ZINC001112285323 825418382 /nfs/dbraw/zinc/41/83/82/825418382.db2.gz SVUYYDXTSSGSOF-MPGHIAIKSA-N 2 1 347.463 -0.061 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112404239 825435752 /nfs/dbraw/zinc/43/57/52/825435752.db2.gz OSCXMOLHIKGEEY-MPGHIAIKSA-N 2 1 332.448 -0.212 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112404239 825435758 /nfs/dbraw/zinc/43/57/58/825435758.db2.gz OSCXMOLHIKGEEY-MPGHIAIKSA-N 2 1 332.448 -0.212 20 30 EBEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CC(=O)NCC#N)C[C@H]21 ZINC001114263555 826186395 /nfs/dbraw/zinc/18/63/95/826186395.db2.gz XDDZNMSUEKVYIW-CTASWTNQSA-N 2 1 333.436 -0.455 20 30 EBEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001114263555 826186403 /nfs/dbraw/zinc/18/64/03/826186403.db2.gz XDDZNMSUEKVYIW-CTASWTNQSA-N 2 1 333.436 -0.455 20 30 EBEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114263555 826186408 /nfs/dbraw/zinc/18/64/08/826186408.db2.gz XDDZNMSUEKVYIW-CTASWTNQSA-N 2 1 333.436 -0.455 20 30 EBEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114263555 826186412 /nfs/dbraw/zinc/18/64/12/826186412.db2.gz XDDZNMSUEKVYIW-CTASWTNQSA-N 2 1 333.436 -0.455 20 30 EBEDMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001114403744 826235816 /nfs/dbraw/zinc/23/58/16/826235816.db2.gz XSMPCZXHTZNSNU-AIANPOQGSA-N 2 1 347.463 -0.350 20 30 EBEDMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001114403744 826235819 /nfs/dbraw/zinc/23/58/19/826235819.db2.gz XSMPCZXHTZNSNU-AIANPOQGSA-N 2 1 347.463 -0.350 20 30 EBEDMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001114403744 826235823 /nfs/dbraw/zinc/23/58/23/826235823.db2.gz XSMPCZXHTZNSNU-AIANPOQGSA-N 2 1 347.463 -0.350 20 30 EBEDMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001114403744 826235825 /nfs/dbraw/zinc/23/58/25/826235825.db2.gz XSMPCZXHTZNSNU-AIANPOQGSA-N 2 1 347.463 -0.350 20 30 EBEDMP C[C@H]1CC[N@@H+](CC(=O)NC2CC3(C2)CC([NH2+]CC(=O)NCC#N)C3)C1 ZINC001121774065 827446785 /nfs/dbraw/zinc/44/67/85/827446785.db2.gz XJRHUAKKWCGUKN-RWQKBRBCSA-N 2 1 347.463 -0.015 20 30 EBEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NCC#N)C2 ZINC001121772860 827446847 /nfs/dbraw/zinc/44/68/47/827446847.db2.gz IZUXCNZCMRJDFY-AKTUJNGQSA-N 2 1 347.463 -0.159 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001122177486 827537035 /nfs/dbraw/zinc/53/70/35/827537035.db2.gz DHOANEVDIZMWTJ-OQDWRCPYSA-N 2 1 332.448 -0.296 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001122177487 827537207 /nfs/dbraw/zinc/53/72/07/827537207.db2.gz DHOANEVDIZMWTJ-RWQKBRBCSA-N 2 1 332.448 -0.296 20 30 EBEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125221177 828083836 /nfs/dbraw/zinc/08/38/36/828083836.db2.gz OAGKFDVAXPUXRE-CQSZACIVSA-N 2 1 326.441 -0.553 20 30 EBEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125221177 828083845 /nfs/dbraw/zinc/08/38/45/828083845.db2.gz OAGKFDVAXPUXRE-CQSZACIVSA-N 2 1 326.441 -0.553 20 30 EBEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001184434365 833330194 /nfs/dbraw/zinc/33/01/94/833330194.db2.gz WUDKCDZLYKCDHL-GARNVTTQSA-N 2 1 333.432 -0.310 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001184810345 833340622 /nfs/dbraw/zinc/34/06/22/833340622.db2.gz NRHJWGJNORJDKR-UKRRQHHQSA-N 2 1 346.435 -0.095 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001184810344 833340660 /nfs/dbraw/zinc/34/06/60/833340660.db2.gz NRHJWGJNORJDKR-HIFRSBDPSA-N 2 1 346.435 -0.095 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131525837 829154455 /nfs/dbraw/zinc/15/44/55/829154455.db2.gz NAUNTURLFKUFPE-PEUXKQIOSA-N 2 1 336.436 -0.754 20 30 EBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC12CCOCC2 ZINC001186318817 833396549 /nfs/dbraw/zinc/39/65/49/833396549.db2.gz ABAVOFXNDBNKTL-JKSUJKDBSA-N 2 1 335.448 -0.205 20 30 EBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC12CCOCC2 ZINC001186318817 833396552 /nfs/dbraw/zinc/39/65/52/833396552.db2.gz ABAVOFXNDBNKTL-JKSUJKDBSA-N 2 1 335.448 -0.205 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186366991 833399016 /nfs/dbraw/zinc/39/90/16/833399016.db2.gz GFOLFVBLENZTQL-HUUCEWRRSA-N 2 1 338.452 -0.410 20 30 EBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1=O ZINC001132848284 829533184 /nfs/dbraw/zinc/53/31/84/829533184.db2.gz DASAIFIFNLQWSU-CABCVRRESA-N 2 1 338.452 -0.412 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132852142 829536762 /nfs/dbraw/zinc/53/67/62/829536762.db2.gz IKVMYUDHXBFOAJ-UONOGXRCSA-N 2 1 326.441 -0.508 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135675636 830005063 /nfs/dbraw/zinc/00/50/63/830005063.db2.gz JPJOYEOZBSHGKH-CABCVRRESA-N 2 1 338.452 -0.669 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@H]2C)CC1 ZINC001211306486 837426270 /nfs/dbraw/zinc/42/62/70/837426270.db2.gz CJXSWBOWFDBUKG-HYVNUMGLSA-N 2 1 337.464 -0.225 20 30 EBEDMP C=CCOCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001149439954 830666346 /nfs/dbraw/zinc/66/63/46/830666346.db2.gz RLTPXFKZWUNUHF-JKSUJKDBSA-N 2 1 341.452 -0.273 20 30 EBEDMP C=CCOCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001149439954 830666348 /nfs/dbraw/zinc/66/63/48/830666348.db2.gz RLTPXFKZWUNUHF-JKSUJKDBSA-N 2 1 341.452 -0.273 20 30 EBEDMP C=CCOCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001149439954 830666351 /nfs/dbraw/zinc/66/63/51/830666351.db2.gz RLTPXFKZWUNUHF-JKSUJKDBSA-N 2 1 341.452 -0.273 20 30 EBEDMP C=CCOCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001149439954 830666353 /nfs/dbraw/zinc/66/63/53/830666353.db2.gz RLTPXFKZWUNUHF-JKSUJKDBSA-N 2 1 341.452 -0.273 20 30 EBEDMP C=CCOCC[N@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150589499 830940309 /nfs/dbraw/zinc/94/03/09/830940309.db2.gz URHQLUYPNDYTIE-MRXNPFEDSA-N 2 1 343.468 -0.026 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001152335079 831152754 /nfs/dbraw/zinc/15/27/54/831152754.db2.gz YXMQNHHBLNKEEC-UHFFFAOYSA-N 2 1 348.407 -0.121 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155822112 831433480 /nfs/dbraw/zinc/43/34/80/831433480.db2.gz ITRRYCVXSZSCPH-STQMWFEESA-N 2 1 339.440 -0.423 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nnc2n1CCOC2 ZINC001160197619 831825421 /nfs/dbraw/zinc/82/54/21/831825421.db2.gz AWLQYXTYYWVQFB-AWEZNQCLSA-N 2 1 346.435 -0.498 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nnc2n1CCOC2 ZINC001160197619 831825426 /nfs/dbraw/zinc/82/54/26/831825426.db2.gz AWLQYXTYYWVQFB-AWEZNQCLSA-N 2 1 346.435 -0.498 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001164535809 832195009 /nfs/dbraw/zinc/19/50/09/832195009.db2.gz GNDSJQYMBVJWKT-HUUCEWRRSA-N 2 1 340.468 -0.118 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001164535810 832195091 /nfs/dbraw/zinc/19/50/91/832195091.db2.gz GNDSJQYMBVJWKT-LSDHHAIUSA-N 2 1 340.468 -0.118 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001164535677 832195191 /nfs/dbraw/zinc/19/51/91/832195191.db2.gz AFEJAKJCSHUNFE-GJZGRUSLSA-N 2 1 338.452 -0.671 20 30 EBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001164538926 832195958 /nfs/dbraw/zinc/19/59/58/832195958.db2.gz PYHNMYJMJRMBNG-AWEZNQCLSA-N 2 1 326.441 -0.506 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001166707845 832281294 /nfs/dbraw/zinc/28/12/94/832281294.db2.gz JQNFATFTTQFBSZ-HIFRSBDPSA-N 2 1 345.447 -0.012 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001166707848 832282077 /nfs/dbraw/zinc/28/20/77/832282077.db2.gz JQNFATFTTQFBSZ-ZFWWWQNUSA-N 2 1 345.447 -0.012 20 30 EBEDMP N#CCNC(=O)C[NH2+]CCCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001166736042 832285452 /nfs/dbraw/zinc/28/54/52/832285452.db2.gz AZBWSWIXTYEXHI-UHFFFAOYSA-N 2 1 348.407 -0.380 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001167232411 832319004 /nfs/dbraw/zinc/31/90/04/832319004.db2.gz BNWKDEKNXOHZLL-HNNXBMFYSA-N 2 1 334.464 -0.046 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]2C)CC[N@H+]1C ZINC001178736348 832907122 /nfs/dbraw/zinc/90/71/22/832907122.db2.gz WBTUSHNPXPNYJM-ZQDZILKHSA-N 2 1 335.452 -0.065 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187817549 833970072 /nfs/dbraw/zinc/97/00/72/833970072.db2.gz HAMDRNWTCQKFHX-QWHCGFSZSA-N 2 1 337.424 -0.860 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001189667222 834177285 /nfs/dbraw/zinc/17/72/85/834177285.db2.gz DILLLCFEEICBHI-HRCADAONSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001189667222 834177287 /nfs/dbraw/zinc/17/72/87/834177287.db2.gz DILLLCFEEICBHI-HRCADAONSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189667222 834177291 /nfs/dbraw/zinc/17/72/91/834177291.db2.gz DILLLCFEEICBHI-HRCADAONSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189667222 834177296 /nfs/dbraw/zinc/17/72/96/834177296.db2.gz DILLLCFEEICBHI-HRCADAONSA-N 2 1 334.464 -0.001 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488058 834887953 /nfs/dbraw/zinc/88/79/53/834887953.db2.gz LMIORPVXZMWSEX-CABCVRRESA-N 2 1 340.468 -0.212 20 30 EBEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194832388 835154811 /nfs/dbraw/zinc/15/48/11/835154811.db2.gz NTPBLUYKKGZTBB-DSZOFWSKSA-N 2 1 335.448 -0.023 20 30 EBEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194832388 835154813 /nfs/dbraw/zinc/15/48/13/835154813.db2.gz NTPBLUYKKGZTBB-DSZOFWSKSA-N 2 1 335.448 -0.023 20 30 EBEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001194832388 835154816 /nfs/dbraw/zinc/15/48/16/835154816.db2.gz NTPBLUYKKGZTBB-DSZOFWSKSA-N 2 1 335.448 -0.023 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001201094067 836093537 /nfs/dbraw/zinc/09/35/37/836093537.db2.gz MNTPCQGKPJLMFC-INIZCTEOSA-N 2 1 330.432 -0.586 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001201094067 836093545 /nfs/dbraw/zinc/09/35/45/836093545.db2.gz MNTPCQGKPJLMFC-INIZCTEOSA-N 2 1 330.432 -0.586 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001201093726 836093664 /nfs/dbraw/zinc/09/36/64/836093664.db2.gz HTXIHBHKWOOVIQ-OCCSQVGLSA-N 2 1 349.435 -0.752 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001201093726 836093675 /nfs/dbraw/zinc/09/36/75/836093675.db2.gz HTXIHBHKWOOVIQ-OCCSQVGLSA-N 2 1 349.435 -0.752 20 30 EBEDMP CCC[N@@H+](C)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001201924241 836216657 /nfs/dbraw/zinc/21/66/57/836216657.db2.gz GOARQRUXDXANKH-CQSZACIVSA-N 2 1 339.440 -0.825 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202059894 836244898 /nfs/dbraw/zinc/24/48/98/836244898.db2.gz SKXXCVJWVYAZNQ-CABCVRRESA-N 2 1 338.452 -0.553 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001202067885 836247470 /nfs/dbraw/zinc/24/74/70/836247470.db2.gz GIKNXEAWFIFRIE-CQSZACIVSA-N 2 1 348.407 -0.962 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCCO1 ZINC001202070865 836249360 /nfs/dbraw/zinc/24/93/60/836249360.db2.gz WIVZIAURNWBFCL-OAHLLOKOSA-N 2 1 349.435 -0.299 20 30 EBEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001202947919 836373911 /nfs/dbraw/zinc/37/39/11/836373911.db2.gz ZUXGBJZZGPQOBC-UHFFFAOYSA-N 2 1 338.452 -0.409 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203170189 836403149 /nfs/dbraw/zinc/40/31/49/836403149.db2.gz ZDNDSCLDLRHIPG-UONOGXRCSA-N 2 1 344.419 -0.152 20 30 EBEDMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203576949 836449126 /nfs/dbraw/zinc/44/91/26/836449126.db2.gz LTQQITRYLKJHLW-KGLIPLIRSA-N 2 1 335.452 -0.015 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001206274230 836635629 /nfs/dbraw/zinc/63/56/29/836635629.db2.gz FIPZNWBAJMWIQR-HNNXBMFYSA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001208352488 837003525 /nfs/dbraw/zinc/00/35/25/837003525.db2.gz GUMNGYWEMUVQJV-CVEARBPZSA-N 2 1 330.432 -0.586 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001208352488 837003535 /nfs/dbraw/zinc/00/35/35/837003535.db2.gz GUMNGYWEMUVQJV-CVEARBPZSA-N 2 1 330.432 -0.586 20 30 EBEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298558 837267786 /nfs/dbraw/zinc/26/77/86/837267786.db2.gz OVNDEYGGBDEAEU-QLFBSQMISA-N 2 1 340.468 -0.308 20 30 EBEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298558 837267797 /nfs/dbraw/zinc/26/77/97/837267797.db2.gz OVNDEYGGBDEAEU-QLFBSQMISA-N 2 1 340.468 -0.308 20 30 EBEDMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](O)C[NH2+]CC#CCOC)C1 ZINC001320261919 838734264 /nfs/dbraw/zinc/73/42/64/838734264.db2.gz FSCNYGOOHDJXKT-JKSUJKDBSA-N 2 1 325.453 -0.175 20 30 EBEDMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@](C)(C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001324813497 839718901 /nfs/dbraw/zinc/71/89/01/839718901.db2.gz OAOBPUXVOPTXFB-WMLDXEAASA-N 2 1 335.452 -0.204 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC2(O)C[NH+](CC[C@H]3CCOC3)C2)CC1 ZINC001325318296 839847256 /nfs/dbraw/zinc/84/72/56/839847256.db2.gz KTSGHPFJTGVQGK-INIZCTEOSA-N 2 1 349.475 -0.079 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3CC(=O)NCC#N)C1 ZINC001325914574 839974044 /nfs/dbraw/zinc/97/40/44/839974044.db2.gz BHKGKKXAJIVGOI-ZNMIVQPWSA-N 2 1 333.436 -0.357 20 30 EBEDMP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CC(=O)NCC#N)C1 ZINC001325914574 839974050 /nfs/dbraw/zinc/97/40/50/839974050.db2.gz BHKGKKXAJIVGOI-ZNMIVQPWSA-N 2 1 333.436 -0.357 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CC(=O)NCC#N)C1 ZINC001325914574 839974056 /nfs/dbraw/zinc/97/40/56/839974056.db2.gz BHKGKKXAJIVGOI-ZNMIVQPWSA-N 2 1 333.436 -0.357 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(=O)NCC#N)C1 ZINC001325914574 839974058 /nfs/dbraw/zinc/97/40/58/839974058.db2.gz BHKGKKXAJIVGOI-ZNMIVQPWSA-N 2 1 333.436 -0.357 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(=O)NCC#N)C1 ZINC001325914574 839974065 /nfs/dbraw/zinc/97/40/65/839974065.db2.gz BHKGKKXAJIVGOI-ZNMIVQPWSA-N 2 1 333.436 -0.357 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(CCO)CC[NH2+]Cc2nccn2C)CC1 ZINC001326148335 840050074 /nfs/dbraw/zinc/05/00/74/840050074.db2.gz MSGFAIPJFJMTGG-UHFFFAOYSA-N 2 1 347.463 -0.324 20 30 EBEDMP COCC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001326578993 840138737 /nfs/dbraw/zinc/13/87/37/840138737.db2.gz GRGPNMCAGHFMTR-MRXNPFEDSA-N 2 1 335.448 -0.109 20 30 EBEDMP C[NH+](C)CCCC(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)CC2 ZINC001326589893 840142810 /nfs/dbraw/zinc/14/28/10/840142810.db2.gz DEWIXHCMQNKLCR-UHFFFAOYSA-N 2 1 335.452 -0.108 20 30 EBEDMP COCC#CC[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001327593684 840468391 /nfs/dbraw/zinc/46/83/91/840468391.db2.gz YZYNLWQIRCKUPR-SJLPKXTDSA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@@H](C)c1nnnn1C ZINC001328354443 840659161 /nfs/dbraw/zinc/65/91/61/840659161.db2.gz SHVRXGVFFXVNFA-IHRRRGAJSA-N 2 1 333.440 -0.147 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@@H](C)c1nnnn1C ZINC001328354443 840659166 /nfs/dbraw/zinc/65/91/66/840659166.db2.gz SHVRXGVFFXVNFA-IHRRRGAJSA-N 2 1 333.440 -0.147 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCCN(CC(=O)NCC#N)C3)C1 ZINC001330511742 841224295 /nfs/dbraw/zinc/22/42/95/841224295.db2.gz GGEROAFPQNHKNS-AWEZNQCLSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCC[NH+](CC(=O)NCC#N)C3)C1 ZINC001330511742 841224303 /nfs/dbraw/zinc/22/43/03/841224303.db2.gz GGEROAFPQNHKNS-AWEZNQCLSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCC[NH+](CC(=O)NCC#N)C3)C1 ZINC001330511742 841224310 /nfs/dbraw/zinc/22/43/10/841224310.db2.gz GGEROAFPQNHKNS-AWEZNQCLSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2CC3(C2)CCC[N@H+](CC(=O)NCC#N)C3)C1 ZINC001330511742 841224316 /nfs/dbraw/zinc/22/43/16/841224316.db2.gz GGEROAFPQNHKNS-AWEZNQCLSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)N2CC3(C2)CCC[N@@H+](CC(=O)NCC#N)C3)C1 ZINC001330511742 841224323 /nfs/dbraw/zinc/22/43/23/841224323.db2.gz GGEROAFPQNHKNS-AWEZNQCLSA-N 2 1 333.436 -0.498 20 30 EBEDMP C#CCNC(=O)CN1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC001332115434 841576066 /nfs/dbraw/zinc/57/60/66/841576066.db2.gz DBAOYWLGYFHELD-RLFYNMQTSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC001332115434 841576078 /nfs/dbraw/zinc/57/60/78/841576078.db2.gz DBAOYWLGYFHELD-RLFYNMQTSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC001332115434 841576085 /nfs/dbraw/zinc/57/60/85/841576085.db2.gz DBAOYWLGYFHELD-RLFYNMQTSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC001332115434 841576097 /nfs/dbraw/zinc/57/60/97/841576097.db2.gz DBAOYWLGYFHELD-RLFYNMQTSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC001332115434 841576100 /nfs/dbraw/zinc/57/61/00/841576100.db2.gz DBAOYWLGYFHELD-RLFYNMQTSA-N 2 1 332.448 -0.199 20 30 EBEDMP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001332928019 841766758 /nfs/dbraw/zinc/76/67/58/841766758.db2.gz AOVOYJJDHDUJDW-HZPDHXFCSA-N 2 1 337.468 -0.080 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001691166977 1125840204 /nfs/dbraw/zinc/84/02/04/1125840204.db2.gz HAZLPFPVHFMXGQ-QKPAOTATSA-N 2 1 334.464 -0.050 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCCS(C)(=O)=O ZINC001481240979 1125950377 /nfs/dbraw/zinc/95/03/77/1125950377.db2.gz GKWMACACSSEYBO-AWEZNQCLSA-N 2 1 329.466 -0.433 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCCS(C)(=O)=O ZINC001481240979 1125950379 /nfs/dbraw/zinc/95/03/79/1125950379.db2.gz GKWMACACSSEYBO-AWEZNQCLSA-N 2 1 329.466 -0.433 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001482143305 1126086575 /nfs/dbraw/zinc/08/65/75/1126086575.db2.gz NLIMGRXKMNUPTH-UKRRQHHQSA-N 2 1 345.447 -0.155 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)[C@H]2CCC(=O)NC2=O)CC1 ZINC001482649386 1126245156 /nfs/dbraw/zinc/24/51/56/1126245156.db2.gz DBKUEORHIYOICT-HNNXBMFYSA-N 2 1 348.447 -0.473 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)[C@H]2CCC(=O)NC2=O)CC1 ZINC001482649386 1126245159 /nfs/dbraw/zinc/24/51/59/1126245159.db2.gz DBKUEORHIYOICT-HNNXBMFYSA-N 2 1 348.447 -0.473 20 30 EBEDMP C=CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)Cn2cc[nH+]c2C)C1=O ZINC001482793484 1126292523 /nfs/dbraw/zinc/29/25/23/1126292523.db2.gz PYSYAYSEESVKCS-KBPBESRZSA-N 2 1 335.408 -0.955 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001483257762 1126410967 /nfs/dbraw/zinc/41/09/67/1126410967.db2.gz MCSSAJYJWUCNDW-STQMWFEESA-N 2 1 339.440 -0.423 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001483260954 1126411700 /nfs/dbraw/zinc/41/17/00/1126411700.db2.gz QQZQDOQGXDPYQC-JSGCOSHPSA-N 2 1 331.420 -0.402 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCOCCO)C2)CC1 ZINC001484070154 1126504842 /nfs/dbraw/zinc/50/48/42/1126504842.db2.gz CVSLAUQBJLNRSP-GOSISDBHSA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]C[C@H](O)COC)C1 ZINC001484098134 1126506039 /nfs/dbraw/zinc/50/60/39/1126506039.db2.gz NGNBPYVHCDCKPU-XYJFISCASA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]C[C@H](O)COC)C1 ZINC001484098134 1126506040 /nfs/dbraw/zinc/50/60/40/1126506040.db2.gz NGNBPYVHCDCKPU-XYJFISCASA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001487189038 1127427974 /nfs/dbraw/zinc/42/79/74/1127427974.db2.gz FZNJKSOCICVOQO-HOCLYGCPSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001487189038 1127427976 /nfs/dbraw/zinc/42/79/76/1127427976.db2.gz FZNJKSOCICVOQO-HOCLYGCPSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001691673881 1127506584 /nfs/dbraw/zinc/50/65/84/1127506584.db2.gz SCPWNCPLOFGJHV-BMFZPTHFSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001691673881 1127506585 /nfs/dbraw/zinc/50/65/85/1127506585.db2.gz SCPWNCPLOFGJHV-BMFZPTHFSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001488744563 1128845083 /nfs/dbraw/zinc/84/50/83/1128845083.db2.gz WHBPWEPVJYRBCE-NXOAAHMSSA-N 2 1 344.459 -0.294 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001488744563 1128845089 /nfs/dbraw/zinc/84/50/89/1128845089.db2.gz WHBPWEPVJYRBCE-NXOAAHMSSA-N 2 1 344.459 -0.294 20 30 EBEDMP C[N@@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)C1CCC1 ZINC001488916416 1128879918 /nfs/dbraw/zinc/87/99/18/1128879918.db2.gz URMONQHHGLGXCM-UONOGXRCSA-N 2 1 335.452 -0.015 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2C1 ZINC001489206460 1128931615 /nfs/dbraw/zinc/93/16/15/1128931615.db2.gz RZGRPRXKJIMQEJ-CVEARBPZSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@@H]2C1 ZINC001489206460 1128931619 /nfs/dbraw/zinc/93/16/19/1128931619.db2.gz RZGRPRXKJIMQEJ-CVEARBPZSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@@H]2C1 ZINC001489206460 1128931622 /nfs/dbraw/zinc/93/16/22/1128931622.db2.gz RZGRPRXKJIMQEJ-CVEARBPZSA-N 2 1 334.464 -0.142 20 30 EBEDMP CC#CC[NH+]1CCN(CCNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001490508152 1129214576 /nfs/dbraw/zinc/21/45/76/1129214576.db2.gz UGJOEAHPWNCJRI-UHFFFAOYSA-N 2 1 346.479 -0.185 20 30 EBEDMP N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001490902068 1130232463 /nfs/dbraw/zinc/23/24/63/1130232463.db2.gz BWAHMMMQSKCUCJ-AJNGGQMLSA-N 2 1 333.436 -0.120 20 30 EBEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N1CCN(c2ncccn2)CC1 ZINC000264058009 379243408 /nfs/dbraw/zinc/24/34/08/379243408.db2.gz BRKKZQIAJSKGSR-UHFFFAOYSA-N 2 1 333.440 -0.364 20 30 EBEDMP CC[NH+]=C(NC[C@H](C)[NH+](C)C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261861477 379223050 /nfs/dbraw/zinc/22/30/50/379223050.db2.gz YLZCWZHVFKWFNG-ZDUSSCGKSA-N 2 1 335.456 -0.016 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000356951790 380212232 /nfs/dbraw/zinc/21/22/32/380212232.db2.gz ZZICUHTXSRZPNC-UHFFFAOYSA-N 2 1 339.440 -0.612 20 30 EBEDMP CNC(=O)[C@]1(C)CC[N@@H+](CC#CC[NH+]2CC[C@](C)(C(=O)NC)C2)C1 ZINC000342134805 380756105 /nfs/dbraw/zinc/75/61/05/380756105.db2.gz SEVUOUJGAXFYCZ-HDICACEKSA-N 2 1 334.464 -0.094 20 30 EBEDMP CNC(=O)[C@]1(C)CC[NH+](CC#CC[N@@H+]2CC[C@](C)(C(=O)NC)C2)C1 ZINC000342134805 380756108 /nfs/dbraw/zinc/75/61/08/380756108.db2.gz SEVUOUJGAXFYCZ-HDICACEKSA-N 2 1 334.464 -0.094 20 30 EBEDMP CNC(=O)[C@]1(C)CC[NH+](CC#CC[N@H+]2CC[C@](C)(C(=O)NC)C2)C1 ZINC000342134805 380756112 /nfs/dbraw/zinc/75/61/12/380756112.db2.gz SEVUOUJGAXFYCZ-HDICACEKSA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C1 ZINC000890362702 584694260 /nfs/dbraw/zinc/69/42/60/584694260.db2.gz GMHWNSPUKBNFNQ-OAHLLOKOSA-N 2 1 337.468 -0.255 20 30 EBEDMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C#N ZINC000912534969 650206868 /nfs/dbraw/zinc/20/68/68/650206868.db2.gz ILQSTVZGQALRLP-RBSFLKMASA-N 2 1 333.436 -0.262 20 30 EBEDMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](C#N)C1 ZINC000912534969 650206869 /nfs/dbraw/zinc/20/68/69/650206869.db2.gz ILQSTVZGQALRLP-RBSFLKMASA-N 2 1 333.436 -0.262 20 30 EBEDMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H](C#N)C1 ZINC000912534969 650206872 /nfs/dbraw/zinc/20/68/72/650206872.db2.gz ILQSTVZGQALRLP-RBSFLKMASA-N 2 1 333.436 -0.262 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nnnn3C)C2)CC1 ZINC000939813361 653052881 /nfs/dbraw/zinc/05/28/81/653052881.db2.gz ZUJKDKXAKSHOBM-DZGCQCFKSA-N 2 1 345.451 -0.508 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000951483325 654157374 /nfs/dbraw/zinc/15/73/74/654157374.db2.gz LEYCQVIHFGSXGB-OAGGEKHMSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000951483325 654157377 /nfs/dbraw/zinc/15/73/77/654157377.db2.gz LEYCQVIHFGSXGB-OAGGEKHMSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000951483325 654157379 /nfs/dbraw/zinc/15/73/79/654157379.db2.gz LEYCQVIHFGSXGB-OAGGEKHMSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000951483325 654157380 /nfs/dbraw/zinc/15/73/80/654157380.db2.gz LEYCQVIHFGSXGB-OAGGEKHMSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000950755618 654248794 /nfs/dbraw/zinc/24/87/94/654248794.db2.gz QCIFNHXQKBYHAN-HOTGVXAUSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000950755618 654248799 /nfs/dbraw/zinc/24/87/99/654248799.db2.gz QCIFNHXQKBYHAN-HOTGVXAUSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000954324970 719669338 /nfs/dbraw/zinc/66/93/38/719669338.db2.gz ZIROKNGQYRHCDF-HOCLYGCPSA-N 2 1 332.448 -0.295 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000954324970 719669341 /nfs/dbraw/zinc/66/93/41/719669341.db2.gz ZIROKNGQYRHCDF-HOCLYGCPSA-N 2 1 332.448 -0.295 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000954324970 719669343 /nfs/dbraw/zinc/66/93/43/719669343.db2.gz ZIROKNGQYRHCDF-HOCLYGCPSA-N 2 1 332.448 -0.295 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000954324970 719669347 /nfs/dbraw/zinc/66/93/47/719669347.db2.gz ZIROKNGQYRHCDF-HOCLYGCPSA-N 2 1 332.448 -0.295 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000954630756 719801490 /nfs/dbraw/zinc/80/14/90/719801490.db2.gz IOVHJUXXYIMWEQ-INIZCTEOSA-N 2 1 344.459 -0.151 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000954630756 719801497 /nfs/dbraw/zinc/80/14/97/719801497.db2.gz IOVHJUXXYIMWEQ-INIZCTEOSA-N 2 1 344.459 -0.151 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[NH+]2CCCC2)C1 ZINC000954632091 719804225 /nfs/dbraw/zinc/80/42/25/719804225.db2.gz PEYWZGIJUFIVII-INIZCTEOSA-N 2 1 332.448 -0.151 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001018986327 728764253 /nfs/dbraw/zinc/76/42/53/728764253.db2.gz YWNAZJDXOWCKJQ-MJBXVCDLSA-N 2 1 332.404 -0.920 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001018986327 728764256 /nfs/dbraw/zinc/76/42/56/728764256.db2.gz YWNAZJDXOWCKJQ-MJBXVCDLSA-N 2 1 332.404 -0.920 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cnnn2C)C1 ZINC000961937416 723125562 /nfs/dbraw/zinc/12/55/62/723125562.db2.gz BYGSKGOPBJQULD-XUJLQICISA-N 2 1 330.436 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cnnn2C)C1 ZINC000961937416 723125564 /nfs/dbraw/zinc/12/55/64/723125564.db2.gz BYGSKGOPBJQULD-XUJLQICISA-N 2 1 330.436 -0.103 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC000968954233 725134086 /nfs/dbraw/zinc/13/40/86/725134086.db2.gz FNBWIIORHREJFI-CVEARBPZSA-N 2 1 348.447 -0.867 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC000968954233 725134087 /nfs/dbraw/zinc/13/40/87/725134087.db2.gz FNBWIIORHREJFI-CVEARBPZSA-N 2 1 348.447 -0.867 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000974151248 725887798 /nfs/dbraw/zinc/88/77/98/725887798.db2.gz QCFQXKKWZWGGFP-XHSDSOJGSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000974151248 725887799 /nfs/dbraw/zinc/88/77/99/725887799.db2.gz QCFQXKKWZWGGFP-XHSDSOJGSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC000993863527 725955268 /nfs/dbraw/zinc/95/52/68/725955268.db2.gz ZVUXRMFQIKHTOH-UHFFFAOYSA-N 2 1 343.431 -0.136 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000994754295 726073830 /nfs/dbraw/zinc/07/38/30/726073830.db2.gz KSWFCGNJCFXBLG-HOCLYGCPSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000994754295 726073832 /nfs/dbraw/zinc/07/38/32/726073832.db2.gz KSWFCGNJCFXBLG-HOCLYGCPSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC000994754295 726073835 /nfs/dbraw/zinc/07/38/35/726073835.db2.gz KSWFCGNJCFXBLG-HOCLYGCPSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC000994754295 726073839 /nfs/dbraw/zinc/07/38/39/726073839.db2.gz KSWFCGNJCFXBLG-HOCLYGCPSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCN2CCNC2=O)CC1 ZINC000996685885 726422293 /nfs/dbraw/zinc/42/22/93/726422293.db2.gz RHLXRULDPPUDNE-INIZCTEOSA-N 2 1 347.463 -0.310 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCN2CCNC2=O)CC1 ZINC000996685885 726422294 /nfs/dbraw/zinc/42/22/94/726422294.db2.gz RHLXRULDPPUDNE-INIZCTEOSA-N 2 1 347.463 -0.310 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+]([C@@H]3CCNC3=O)CC2)CC1 ZINC001001466576 726607682 /nfs/dbraw/zinc/60/76/82/726607682.db2.gz ASWUCVCRZVTONG-QGZVFWFLSA-N 2 1 344.459 -0.032 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+]([C@@H]3CCNC3=O)CC2)CC1 ZINC001001466576 726607683 /nfs/dbraw/zinc/60/76/83/726607683.db2.gz ASWUCVCRZVTONG-QGZVFWFLSA-N 2 1 344.459 -0.032 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001002830034 726649448 /nfs/dbraw/zinc/64/94/48/726649448.db2.gz PXULWFAKVRQLNH-HOTGVXAUSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001002830034 726649449 /nfs/dbraw/zinc/64/94/49/726649449.db2.gz PXULWFAKVRQLNH-HOTGVXAUSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001002830034 726649450 /nfs/dbraw/zinc/64/94/50/726649450.db2.gz PXULWFAKVRQLNH-HOTGVXAUSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001002830034 726649451 /nfs/dbraw/zinc/64/94/51/726649451.db2.gz PXULWFAKVRQLNH-HOTGVXAUSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C2)CC1 ZINC001016332792 728457622 /nfs/dbraw/zinc/45/76/22/728457622.db2.gz SLBWFEDWHVRQAW-CVEARBPZSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)CC1 ZINC001016332792 728457623 /nfs/dbraw/zinc/45/76/23/728457623.db2.gz SLBWFEDWHVRQAW-CVEARBPZSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)CC1 ZINC001016335851 728458167 /nfs/dbraw/zinc/45/81/67/728458167.db2.gz GLQWYVQRSCOQMF-INIZCTEOSA-N 2 1 347.463 -0.453 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001022221721 729468355 /nfs/dbraw/zinc/46/83/55/729468355.db2.gz MEKAKRFJSMKNRO-ZNMIVQPWSA-N 2 1 346.431 -0.530 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001022221721 729468356 /nfs/dbraw/zinc/46/83/56/729468356.db2.gz MEKAKRFJSMKNRO-ZNMIVQPWSA-N 2 1 346.431 -0.530 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001022221929 729468980 /nfs/dbraw/zinc/46/89/80/729468980.db2.gz RNJQYAYTQRKGDP-XHSDSOJGSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001022221929 729468981 /nfs/dbraw/zinc/46/89/81/729468981.db2.gz RNJQYAYTQRKGDP-XHSDSOJGSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC)C2)CC1 ZINC001029004516 730382958 /nfs/dbraw/zinc/38/29/58/730382958.db2.gz YFPVCPZXXLCMFO-GJZGRUSLSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCNC2=O)CC1 ZINC001029596297 730412523 /nfs/dbraw/zinc/41/25/23/730412523.db2.gz ITGMGHQYDZOKMF-IXDOHACOSA-N 2 1 344.459 -0.105 20 30 EBEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001032130691 730816666 /nfs/dbraw/zinc/81/66/66/730816666.db2.gz ZPQHJCAVCWDZPG-HNNXBMFYSA-N 2 1 332.448 -0.083 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC)C2)CC1 ZINC001033684603 731063387 /nfs/dbraw/zinc/06/33/87/731063387.db2.gz OXFPCQQFLUFCJM-GOEBONIOSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC)C2)CC1 ZINC001033684603 731063389 /nfs/dbraw/zinc/06/33/89/731063389.db2.gz OXFPCQQFLUFCJM-GOEBONIOSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001046013742 733802302 /nfs/dbraw/zinc/80/23/02/733802302.db2.gz IVLLXDWYGBFXPG-IAGOWNOFSA-N 2 1 334.464 -0.441 20 30 EBEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001046013742 733802303 /nfs/dbraw/zinc/80/23/03/733802303.db2.gz IVLLXDWYGBFXPG-IAGOWNOFSA-N 2 1 334.464 -0.441 20 30 EBEDMP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046013742 733802304 /nfs/dbraw/zinc/80/23/04/733802304.db2.gz IVLLXDWYGBFXPG-IAGOWNOFSA-N 2 1 334.464 -0.441 20 30 EBEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046013742 733802305 /nfs/dbraw/zinc/80/23/05/733802305.db2.gz IVLLXDWYGBFXPG-IAGOWNOFSA-N 2 1 334.464 -0.441 20 30 EBEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)CC2)C1 ZINC001046056873 733835748 /nfs/dbraw/zinc/83/57/48/733835748.db2.gz VMKUILBNNJPKEF-MSOLQXFVSA-N 2 1 348.491 -0.053 20 30 EBEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)C1 ZINC001046056873 733835752 /nfs/dbraw/zinc/83/57/52/733835752.db2.gz VMKUILBNNJPKEF-MSOLQXFVSA-N 2 1 348.491 -0.053 20 30 EBEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)CC2)C1 ZINC001046056873 733835755 /nfs/dbraw/zinc/83/57/55/733835755.db2.gz VMKUILBNNJPKEF-MSOLQXFVSA-N 2 1 348.491 -0.053 20 30 EBEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)CC2)C1 ZINC001046056873 733835758 /nfs/dbraw/zinc/83/57/58/733835758.db2.gz VMKUILBNNJPKEF-MSOLQXFVSA-N 2 1 348.491 -0.053 20 30 EBEDMP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC001046072159 733846432 /nfs/dbraw/zinc/84/64/32/733846432.db2.gz UBVIEKFYCFWPGM-SFHVURJKSA-N 2 1 348.491 -0.050 20 30 EBEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC001046072159 733846438 /nfs/dbraw/zinc/84/64/38/733846438.db2.gz UBVIEKFYCFWPGM-SFHVURJKSA-N 2 1 348.491 -0.050 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CCN([C@@H]3CC[N@H+](CCO)C3)CC2)CC1 ZINC001046085232 733857554 /nfs/dbraw/zinc/85/75/54/733857554.db2.gz FMXLSBGQOLDDCO-GOSISDBHSA-N 2 1 348.491 -0.458 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]3C2)CC1 ZINC001049234600 734695069 /nfs/dbraw/zinc/69/50/69/734695069.db2.gz GGVHHENHUYRJGT-CWRNSKLLSA-N 2 1 332.448 -0.404 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001054296173 736187675 /nfs/dbraw/zinc/18/76/75/736187675.db2.gz IRENFBKRFAVTKP-ILXRZTDVSA-N 2 1 346.431 -0.530 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001054296173 736187679 /nfs/dbraw/zinc/18/76/79/736187679.db2.gz IRENFBKRFAVTKP-ILXRZTDVSA-N 2 1 346.431 -0.530 20 30 EBEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028807 740666212 /nfs/dbraw/zinc/66/62/12/740666212.db2.gz FJYHZRIPVIOUOJ-XHSDSOJGSA-N 2 1 330.436 -0.015 20 30 EBEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028807 740666214 /nfs/dbraw/zinc/66/62/14/740666214.db2.gz FJYHZRIPVIOUOJ-XHSDSOJGSA-N 2 1 330.436 -0.015 20 30 EBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028807 740666218 /nfs/dbraw/zinc/66/62/18/740666218.db2.gz FJYHZRIPVIOUOJ-XHSDSOJGSA-N 2 1 330.436 -0.015 20 30 EBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028807 740666221 /nfs/dbraw/zinc/66/62/21/740666221.db2.gz FJYHZRIPVIOUOJ-XHSDSOJGSA-N 2 1 330.436 -0.015 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@H]1CCCNC1=O)C2 ZINC001072822851 741494558 /nfs/dbraw/zinc/49/45/58/741494558.db2.gz VRUCCMZYGUGLBM-HOTGVXAUSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@H]1CCCNC1=O)C2 ZINC001072822851 741494562 /nfs/dbraw/zinc/49/45/62/741494562.db2.gz VRUCCMZYGUGLBM-HOTGVXAUSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@H]1CCCNC1=O)C2 ZINC001072822851 741494565 /nfs/dbraw/zinc/49/45/65/741494565.db2.gz VRUCCMZYGUGLBM-HOTGVXAUSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCCNC1=O)C2 ZINC001072822851 741494568 /nfs/dbraw/zinc/49/45/68/741494568.db2.gz VRUCCMZYGUGLBM-HOTGVXAUSA-N 2 1 344.459 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001073603422 741681986 /nfs/dbraw/zinc/68/19/86/741681986.db2.gz GKPORWQHPGBQGZ-OAHLLOKOSA-N 2 1 333.436 -0.101 20 30 EBEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001073603422 741681987 /nfs/dbraw/zinc/68/19/87/741681987.db2.gz GKPORWQHPGBQGZ-OAHLLOKOSA-N 2 1 333.436 -0.101 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)CC1 ZINC001076604532 742509565 /nfs/dbraw/zinc/50/95/65/742509565.db2.gz KNZJOAMQTWEOGA-YESZJQIVSA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](CC)OC)C[C@H]2O)CC1 ZINC001078227258 743545527 /nfs/dbraw/zinc/54/55/27/743545527.db2.gz QSDDMKKHLORASA-GVDBMIGSSA-N 2 1 337.464 -0.082 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC000983902898 807116796 /nfs/dbraw/zinc/11/67/96/807116796.db2.gz ZHGLZAKAHVQZHW-FPCVCCKLSA-N 2 1 332.448 -0.201 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC000983902898 807116801 /nfs/dbraw/zinc/11/68/01/807116801.db2.gz ZHGLZAKAHVQZHW-FPCVCCKLSA-N 2 1 332.448 -0.201 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001214880469 810287365 /nfs/dbraw/zinc/28/73/65/810287365.db2.gz KZZREJWVBATUPB-KFWWJZLASA-N 2 1 331.420 -0.840 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001214880469 810287368 /nfs/dbraw/zinc/28/73/68/810287368.db2.gz KZZREJWVBATUPB-KFWWJZLASA-N 2 1 331.420 -0.840 20 30 EBEDMP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)NCCN1CC[NH2+]CC1=O ZINC001220871854 811275939 /nfs/dbraw/zinc/27/59/39/811275939.db2.gz AAZLEDATDNIBJZ-HNNXBMFYSA-N 2 1 329.404 -0.634 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222437902 811629665 /nfs/dbraw/zinc/62/96/65/811629665.db2.gz BRWCSTZUEGTRBZ-PMPSAXMXSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222437902 811629670 /nfs/dbraw/zinc/62/96/70/811629670.db2.gz BRWCSTZUEGTRBZ-PMPSAXMXSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222437902 811629675 /nfs/dbraw/zinc/62/96/75/811629675.db2.gz BRWCSTZUEGTRBZ-PMPSAXMXSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222437902 811629677 /nfs/dbraw/zinc/62/96/77/811629677.db2.gz BRWCSTZUEGTRBZ-PMPSAXMXSA-N 2 1 332.448 -0.247 20 30 EBEDMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC#N)[C@H]2C1)C1CC1 ZINC001222891543 811666524 /nfs/dbraw/zinc/66/65/24/811666524.db2.gz DSBKNVGMSQXEIO-UKPHBRMFSA-N 2 1 347.463 -0.111 20 30 EBEDMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@H]2C1)C1CC1 ZINC001222891543 811666533 /nfs/dbraw/zinc/66/65/33/811666533.db2.gz DSBKNVGMSQXEIO-UKPHBRMFSA-N 2 1 347.463 -0.111 20 30 EBEDMP C[NH+](C)CC1(C(=O)NCC2CC[NH+](CC(=O)NCC#N)CC2)CC1 ZINC001224260064 811752074 /nfs/dbraw/zinc/75/20/74/811752074.db2.gz AJLSISCODYSURJ-UHFFFAOYSA-N 2 1 335.452 -0.204 20 30 EBEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@H](O)CN1CCOCC1 ZINC001246004721 812558633 /nfs/dbraw/zinc/55/86/33/812558633.db2.gz WURYOVLXSYDHPU-GJZGRUSLSA-N 2 1 329.441 -0.504 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001263863790 813130248 /nfs/dbraw/zinc/13/02/48/813130248.db2.gz DQCZJHCUBIJSBA-XUXIUFHCSA-N 2 1 349.435 -0.848 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001263863790 813130253 /nfs/dbraw/zinc/13/02/53/813130253.db2.gz DQCZJHCUBIJSBA-XUXIUFHCSA-N 2 1 349.435 -0.848 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)[C@@H]2CCC(=O)NC2=O)CC1 ZINC001265072859 813236213 /nfs/dbraw/zinc/23/62/13/813236213.db2.gz ICEIULMMGAZYBX-OAHLLOKOSA-N 2 1 348.447 -0.425 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001265422658 813321918 /nfs/dbraw/zinc/32/19/18/813321918.db2.gz VJMRQRJAJHDXHE-QWHCGFSZSA-N 2 1 337.424 -0.717 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001265492722 813332221 /nfs/dbraw/zinc/33/22/21/813332221.db2.gz XLJCAWADVIACJY-RBSFLKMASA-N 2 1 343.431 -0.260 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001265492721 813332344 /nfs/dbraw/zinc/33/23/44/813332344.db2.gz XLJCAWADVIACJY-KKUMJFAQSA-N 2 1 343.431 -0.260 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]Cc2nnnn2C)CC1 ZINC001267831167 814052326 /nfs/dbraw/zinc/05/23/26/814052326.db2.gz MLEVLACOGABHNE-AWEZNQCLSA-N 2 1 333.440 -0.460 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCN1C(=O)CNC1=O ZINC001268373041 814224851 /nfs/dbraw/zinc/22/48/51/814224851.db2.gz KGFJOBLSJINNCX-KGLIPLIRSA-N 2 1 349.435 -0.880 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCN1C(=O)CNC1=O ZINC001268373041 814224857 /nfs/dbraw/zinc/22/48/57/814224857.db2.gz KGFJOBLSJINNCX-KGLIPLIRSA-N 2 1 349.435 -0.880 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](C[C@@H](C)O)C[C@@H]32)CC1 ZINC001083283604 814262828 /nfs/dbraw/zinc/26/28/28/814262828.db2.gz KMECEVGAZKUUIM-HYVNUMGLSA-N 2 1 335.448 -0.376 20 30 EBEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654737 814665476 /nfs/dbraw/zinc/66/54/76/814665476.db2.gz DLUQLUJOVRNHBY-PLQZLIEUSA-N 2 1 335.448 -0.023 20 30 EBEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654737 814665480 /nfs/dbraw/zinc/66/54/80/814665480.db2.gz DLUQLUJOVRNHBY-PLQZLIEUSA-N 2 1 335.448 -0.023 20 30 EBEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654737 814665485 /nfs/dbraw/zinc/66/54/85/814665485.db2.gz DLUQLUJOVRNHBY-PLQZLIEUSA-N 2 1 335.448 -0.023 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@](C)(NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001269646585 814755922 /nfs/dbraw/zinc/75/59/22/814755922.db2.gz YYPACDVWEYINQF-KDOFPFPSSA-N 2 1 334.464 -0.048 20 30 EBEDMP CC[N@H+](C)CCC(=O)N1CC[C@@]2(CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001269739953 815585053 /nfs/dbraw/zinc/58/50/53/815585053.db2.gz AMBSGEKXDJHFRX-QGZVFWFLSA-N 2 1 335.452 -0.108 20 30 EBEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@]2(CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001269739953 815585057 /nfs/dbraw/zinc/58/50/57/815585057.db2.gz AMBSGEKXDJHFRX-QGZVFWFLSA-N 2 1 335.452 -0.108 20 30 EBEDMP CC[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001269739953 815585060 /nfs/dbraw/zinc/58/50/60/815585060.db2.gz AMBSGEKXDJHFRX-QGZVFWFLSA-N 2 1 335.452 -0.108 20 30 EBEDMP CC[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001269739953 815585063 /nfs/dbraw/zinc/58/50/63/815585063.db2.gz AMBSGEKXDJHFRX-QGZVFWFLSA-N 2 1 335.452 -0.108 20 30 EBEDMP C[C@@H]1CC[N@H+](CC(=O)NC2(C)CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001270249224 815734160 /nfs/dbraw/zinc/73/41/60/815734160.db2.gz PUXCGFPOXCNSGR-CQSZACIVSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[C@@H]1CC[N@@H+](CC(=O)NC2(C)CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001270249224 815734165 /nfs/dbraw/zinc/73/41/65/815734165.db2.gz PUXCGFPOXCNSGR-CQSZACIVSA-N 2 1 335.452 -0.061 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](CC#CCOC)C2)CC[N@H+]1C ZINC001271145568 816002033 /nfs/dbraw/zinc/00/20/33/816002033.db2.gz NDHSVLPXERIVQT-LZLYRXPVSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C1 ZINC001271887801 816244199 /nfs/dbraw/zinc/24/41/99/816244199.db2.gz QHPGCYOXGSFEPJ-HRCADAONSA-N 2 1 334.464 -0.144 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001271887801 816244205 /nfs/dbraw/zinc/24/42/05/816244205.db2.gz QHPGCYOXGSFEPJ-HRCADAONSA-N 2 1 334.464 -0.144 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001271887801 816244212 /nfs/dbraw/zinc/24/42/12/816244212.db2.gz QHPGCYOXGSFEPJ-HRCADAONSA-N 2 1 334.464 -0.144 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001086390124 816316105 /nfs/dbraw/zinc/31/61/05/816316105.db2.gz CGMQIWHDOQFEIO-VGWMRTNUSA-N 2 1 332.448 -0.201 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001086390124 816316110 /nfs/dbraw/zinc/31/61/10/816316110.db2.gz CGMQIWHDOQFEIO-VGWMRTNUSA-N 2 1 332.448 -0.201 20 30 EBEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001086973239 816428951 /nfs/dbraw/zinc/42/89/51/816428951.db2.gz VUZPAKUYMJTEID-ARFHVFGLSA-N 2 1 333.436 -0.179 20 30 EBEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001086973239 816428956 /nfs/dbraw/zinc/42/89/56/816428956.db2.gz VUZPAKUYMJTEID-ARFHVFGLSA-N 2 1 333.436 -0.179 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC001273276943 816628585 /nfs/dbraw/zinc/62/85/85/816628585.db2.gz OFQJMALDSGJYID-GJZGRUSLSA-N 2 1 338.452 -0.410 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001273365326 816654906 /nfs/dbraw/zinc/65/49/06/816654906.db2.gz FVVRKTVKFMOAMX-GJZGRUSLSA-N 2 1 340.468 -0.166 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@H]1CCCN(C)C1=O ZINC001274096897 816867786 /nfs/dbraw/zinc/86/77/86/816867786.db2.gz LBGCSPWGIBUDNV-SWJNODNISA-N 2 1 332.448 -0.033 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@H]1CCCN(C)C1=O ZINC001274096897 816867790 /nfs/dbraw/zinc/86/77/90/816867790.db2.gz LBGCSPWGIBUDNV-SWJNODNISA-N 2 1 332.448 -0.033 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001274267377 816914164 /nfs/dbraw/zinc/91/41/64/816914164.db2.gz ADHPDBKTPJXGJH-LSDHHAIUSA-N 2 1 338.452 -0.553 20 30 EBEDMP COCC#CC[NH2+]CC1(O)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001274580893 817022125 /nfs/dbraw/zinc/02/21/25/817022125.db2.gz MPISLSUEUMLFRS-UHFFFAOYSA-N 2 1 334.420 -0.216 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001277937698 817658718 /nfs/dbraw/zinc/65/87/18/817658718.db2.gz HQRALGPMZHRRDN-DZGCQCFKSA-N 2 1 345.447 -0.060 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@@H+](C[C@H]3CCOC3)C2)CC1 ZINC001278828550 817855380 /nfs/dbraw/zinc/85/53/80/817855380.db2.gz OQENQZHLXAJNOT-APWZRJJASA-N 2 1 349.475 -0.079 20 30 EBEDMP COCC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001278859620 817870589 /nfs/dbraw/zinc/87/05/89/817870589.db2.gz FJPYPRBOTPXQHU-OAHLLOKOSA-N 2 1 325.453 -0.128 20 30 EBEDMP C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001279104695 817906677 /nfs/dbraw/zinc/90/66/77/817906677.db2.gz MEDQXJVMIQLSON-CQSZACIVSA-N 2 1 335.452 -0.061 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001279614548 817959915 /nfs/dbraw/zinc/95/99/15/817959915.db2.gz MYRTZQQVYHGKMD-GOEBONIOSA-N 2 1 332.448 -0.033 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001279614548 817959919 /nfs/dbraw/zinc/95/99/19/817959919.db2.gz MYRTZQQVYHGKMD-GOEBONIOSA-N 2 1 332.448 -0.033 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001279614548 817959922 /nfs/dbraw/zinc/95/99/22/817959922.db2.gz MYRTZQQVYHGKMD-GOEBONIOSA-N 2 1 332.448 -0.033 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001279614548 817959925 /nfs/dbraw/zinc/95/99/25/817959925.db2.gz MYRTZQQVYHGKMD-GOEBONIOSA-N 2 1 332.448 -0.033 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001281722063 818271167 /nfs/dbraw/zinc/27/11/67/818271167.db2.gz LNSTZRZBFSQMNL-JYJNAYRXSA-N 2 1 332.448 -0.294 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001281722063 818271169 /nfs/dbraw/zinc/27/11/69/818271169.db2.gz LNSTZRZBFSQMNL-JYJNAYRXSA-N 2 1 332.448 -0.294 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001282046703 818345041 /nfs/dbraw/zinc/34/50/41/818345041.db2.gz XUBLHDXJIVOVQI-UIDBIOKJSA-N 2 1 334.464 -0.050 20 30 EBEDMP CCC[N@@H+](C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001282929041 818535005 /nfs/dbraw/zinc/53/50/05/818535005.db2.gz NTZRORWTXILGKG-KBPBESRZSA-N 2 1 339.440 -0.827 20 30 EBEDMP COCC#CC[NH2+][C@H](CO)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001283804554 818962026 /nfs/dbraw/zinc/96/20/26/818962026.db2.gz MNQVIAQHKJKJBV-YOEHRIQHSA-N 2 1 343.443 -0.085 20 30 EBEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001098374051 819156068 /nfs/dbraw/zinc/15/60/68/819156068.db2.gz SWRCXSZASNYGRR-IRXDYDNUSA-N 2 1 335.448 -0.232 20 30 EBEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001098374051 819156074 /nfs/dbraw/zinc/15/60/74/819156074.db2.gz SWRCXSZASNYGRR-IRXDYDNUSA-N 2 1 335.448 -0.232 20 30 EBEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001098374051 819156080 /nfs/dbraw/zinc/15/60/80/819156080.db2.gz SWRCXSZASNYGRR-IRXDYDNUSA-N 2 1 335.448 -0.232 20 30 EBEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001098562219 819246180 /nfs/dbraw/zinc/24/61/80/819246180.db2.gz UNBFYQBNXIKHAK-MRXNPFEDSA-N 2 1 337.464 -0.127 20 30 EBEDMP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001284819156 819360848 /nfs/dbraw/zinc/36/08/48/819360848.db2.gz UBCWDYNDQBBELS-YMAMQOFZSA-N 2 1 338.452 -0.412 20 30 EBEDMP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001284819156 819360853 /nfs/dbraw/zinc/36/08/53/819360853.db2.gz UBCWDYNDQBBELS-YMAMQOFZSA-N 2 1 338.452 -0.412 20 30 EBEDMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[NH+](CC#CCOC)C[C@@H]1O ZINC001099899197 819865667 /nfs/dbraw/zinc/86/56/67/819865667.db2.gz OGXFSQJQUNFRGN-CABCVRRESA-N 2 1 325.453 -0.082 20 30 EBEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[NH+](CC#CCOC)C[C@@H]1O ZINC001099899197 819865678 /nfs/dbraw/zinc/86/56/78/819865678.db2.gz OGXFSQJQUNFRGN-CABCVRRESA-N 2 1 325.453 -0.082 20 30 EBEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](CC#CCOC)C[C@@H]1O ZINC001099899197 819865693 /nfs/dbraw/zinc/86/56/93/819865693.db2.gz OGXFSQJQUNFRGN-CABCVRRESA-N 2 1 325.453 -0.082 20 30 EBEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC#CCOC)C[C@@H]1O ZINC001099899197 819865706 /nfs/dbraw/zinc/86/57/06/819865706.db2.gz OGXFSQJQUNFRGN-CABCVRRESA-N 2 1 325.453 -0.082 20 30 EBEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100037182 820096754 /nfs/dbraw/zinc/09/67/54/820096754.db2.gz VLDMKOBVUKDDDN-HZPDHXFCSA-N 2 1 341.452 -0.537 20 30 EBEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100037182 820096764 /nfs/dbraw/zinc/09/67/64/820096764.db2.gz VLDMKOBVUKDDDN-HZPDHXFCSA-N 2 1 341.452 -0.537 20 30 EBEDMP COCC#CC[NH2+]C1CC(CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001100401800 820404033 /nfs/dbraw/zinc/40/40/33/820404033.db2.gz KQWIQVIYISPTFM-OFLPRAFFSA-N 2 1 347.463 -0.053 20 30 EBEDMP CC1(C)CC[N@@H+](CC(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)C1 ZINC001100680718 820510366 /nfs/dbraw/zinc/51/03/66/820510366.db2.gz AYEQCVGBTGNDOV-UHFFFAOYSA-N 2 1 335.452 -0.158 20 30 EBEDMP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101172024 820708699 /nfs/dbraw/zinc/70/86/99/820708699.db2.gz SQZLBOZWPBARHI-KEYYUXOJSA-N 2 1 333.436 -0.499 20 30 EBEDMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101172024 820708702 /nfs/dbraw/zinc/70/87/02/820708702.db2.gz SQZLBOZWPBARHI-KEYYUXOJSA-N 2 1 333.436 -0.499 20 30 EBEDMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101172024 820708705 /nfs/dbraw/zinc/70/87/05/820708705.db2.gz SQZLBOZWPBARHI-KEYYUXOJSA-N 2 1 333.436 -0.499 20 30 EBEDMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101172024 820708708 /nfs/dbraw/zinc/70/87/08/820708708.db2.gz SQZLBOZWPBARHI-KEYYUXOJSA-N 2 1 333.436 -0.499 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001297110184 821323254 /nfs/dbraw/zinc/32/32/54/821323254.db2.gz HYSAEUCNXZQNQC-JKSUJKDBSA-N 2 1 334.464 -0.003 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001297110184 821323260 /nfs/dbraw/zinc/32/32/60/821323260.db2.gz HYSAEUCNXZQNQC-JKSUJKDBSA-N 2 1 334.464 -0.003 20 30 EBEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001105326905 821694258 /nfs/dbraw/zinc/69/42/58/821694258.db2.gz LHNVVBHEKKGDEW-CJNGLKHVSA-N 2 1 330.436 -0.028 20 30 EBEDMP C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372494 821727169 /nfs/dbraw/zinc/72/71/69/821727169.db2.gz JYMZOKOEPWIBBS-CQSZACIVSA-N 2 1 348.451 -0.095 20 30 EBEDMP C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372494 821727175 /nfs/dbraw/zinc/72/71/75/821727175.db2.gz JYMZOKOEPWIBBS-CQSZACIVSA-N 2 1 348.451 -0.095 20 30 EBEDMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001316660910 821826806 /nfs/dbraw/zinc/82/68/06/821826806.db2.gz VYBVPWCOBQVMAA-QLFBSQMISA-N 2 1 335.452 -0.158 20 30 EBEDMP CN(C(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001316935209 821924072 /nfs/dbraw/zinc/92/40/72/821924072.db2.gz HTGZVAPUKZFCJF-UHFFFAOYSA-N 2 1 333.436 -0.355 20 30 EBEDMP CC[C@@H](C(=O)N[C@H]1CC12CC[NH+](CC(=O)NCC#N)CC2)[NH+](C)C ZINC001317001986 821969992 /nfs/dbraw/zinc/96/99/92/821969992.db2.gz PCLMDYBWFIAWHF-KBPBESRZSA-N 2 1 335.452 -0.063 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001317213295 822039136 /nfs/dbraw/zinc/03/91/36/822039136.db2.gz WBIOGQNTOBKEGS-RNGZQALNSA-N 2 1 344.459 -0.201 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001317213295 822039144 /nfs/dbraw/zinc/03/91/44/822039144.db2.gz WBIOGQNTOBKEGS-RNGZQALNSA-N 2 1 344.459 -0.201 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001317213295 822039152 /nfs/dbraw/zinc/03/91/52/822039152.db2.gz WBIOGQNTOBKEGS-RNGZQALNSA-N 2 1 344.459 -0.201 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001317213295 822039160 /nfs/dbraw/zinc/03/91/60/822039160.db2.gz WBIOGQNTOBKEGS-RNGZQALNSA-N 2 1 344.459 -0.201 20 30 EBEDMP C=CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001317219263 822041374 /nfs/dbraw/zinc/04/13/74/822041374.db2.gz HQFNGVHGUPHZGX-NRXISQOPSA-N 2 1 338.452 -0.364 20 30 EBEDMP C=CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001317219263 822041380 /nfs/dbraw/zinc/04/13/80/822041380.db2.gz HQFNGVHGUPHZGX-NRXISQOPSA-N 2 1 338.452 -0.364 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001317341621 822088350 /nfs/dbraw/zinc/08/83/50/822088350.db2.gz BDSOHIZFNQKRIX-ZFWWWQNUSA-N 2 1 331.420 -0.232 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001317898331 822229662 /nfs/dbraw/zinc/22/96/62/822229662.db2.gz AFNQSAXWVSZSEJ-ULQDDVLXSA-N 2 1 344.459 -0.198 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001317898331 822229672 /nfs/dbraw/zinc/22/96/72/822229672.db2.gz AFNQSAXWVSZSEJ-ULQDDVLXSA-N 2 1 344.459 -0.198 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC)[C@H](C)C1 ZINC001106266523 822238905 /nfs/dbraw/zinc/23/89/05/822238905.db2.gz ONRZPQCGUOFIPZ-OAGGEKHMSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC)[C@H](C)C1 ZINC001106266523 822238910 /nfs/dbraw/zinc/23/89/10/822238910.db2.gz ONRZPQCGUOFIPZ-OAGGEKHMSA-N 2 1 334.464 -0.096 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106432296 822267701 /nfs/dbraw/zinc/26/77/01/822267701.db2.gz UOHFQLMWBMTCRA-TZMCWYRMSA-N 2 1 332.408 -0.485 20 30 EBEDMP C[C@H]1CC[N@@H+](CC(=O)NC2(C[NH2+]CC(=O)NCC#N)CCCC2)C1 ZINC001318655355 822348096 /nfs/dbraw/zinc/34/80/96/822348096.db2.gz ZDGPWOGIDRDDRE-AWEZNQCLSA-N 2 1 335.452 -0.013 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NCC ZINC001129775967 828668100 /nfs/dbraw/zinc/66/81/00/828668100.db2.gz XGSOZDPIZSEKBP-OLZOCXBDSA-N 2 1 337.424 -0.976 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NCC ZINC001129775967 828668107 /nfs/dbraw/zinc/66/81/07/828668107.db2.gz XGSOZDPIZSEKBP-OLZOCXBDSA-N 2 1 337.424 -0.976 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COCC(C)C ZINC001129791222 828670320 /nfs/dbraw/zinc/67/03/20/828670320.db2.gz ZTDHIBRECXPHBN-HOTGVXAUSA-N 2 1 325.453 -0.177 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COCC(C)C ZINC001129791222 828670326 /nfs/dbraw/zinc/67/03/26/828670326.db2.gz ZTDHIBRECXPHBN-HOTGVXAUSA-N 2 1 325.453 -0.177 20 30 EBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1n1ccnn1 ZINC001129932169 828696132 /nfs/dbraw/zinc/69/61/32/828696132.db2.gz PFHKOZORIZRFTR-CABCVRRESA-N 2 1 327.392 -0.152 20 30 EBEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+](C)C(C)C)n1 ZINC001130251179 828767276 /nfs/dbraw/zinc/76/72/76/828767276.db2.gz HAJSPHBPQATDIO-KBPBESRZSA-N 2 1 348.451 -0.144 20 30 EBEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001130251179 828767280 /nfs/dbraw/zinc/76/72/80/828767280.db2.gz HAJSPHBPQATDIO-KBPBESRZSA-N 2 1 348.451 -0.144 20 30 EBEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001130251179 828767281 /nfs/dbraw/zinc/76/72/81/828767281.db2.gz HAJSPHBPQATDIO-KBPBESRZSA-N 2 1 348.451 -0.144 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130305812 828777903 /nfs/dbraw/zinc/77/79/03/828777903.db2.gz LUQSBPGIUJMEHM-CHWSQXEVSA-N 2 1 339.440 -0.423 20 30 EBEDMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001114368623 826222456 /nfs/dbraw/zinc/22/24/56/826222456.db2.gz PWRLUXOPBBNIAM-CTASWTNQSA-N 2 1 333.436 -0.453 20 30 EBEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001114368623 826222457 /nfs/dbraw/zinc/22/24/57/826222457.db2.gz PWRLUXOPBBNIAM-CTASWTNQSA-N 2 1 333.436 -0.453 20 30 EBEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114368623 826222461 /nfs/dbraw/zinc/22/24/61/826222461.db2.gz PWRLUXOPBBNIAM-CTASWTNQSA-N 2 1 333.436 -0.453 20 30 EBEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114368623 826222465 /nfs/dbraw/zinc/22/24/65/826222465.db2.gz PWRLUXOPBBNIAM-CTASWTNQSA-N 2 1 333.436 -0.453 20 30 EBEDMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001114724872 826324214 /nfs/dbraw/zinc/32/42/14/826324214.db2.gz UWCPMJKPIMTTSU-LJIGWXMPSA-N 2 1 347.463 -0.205 20 30 EBEDMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001114724872 826324218 /nfs/dbraw/zinc/32/42/18/826324218.db2.gz UWCPMJKPIMTTSU-LJIGWXMPSA-N 2 1 347.463 -0.205 20 30 EBEDMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001114724872 826324225 /nfs/dbraw/zinc/32/42/25/826324225.db2.gz UWCPMJKPIMTTSU-LJIGWXMPSA-N 2 1 347.463 -0.205 20 30 EBEDMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001114724872 826324228 /nfs/dbraw/zinc/32/42/28/826324228.db2.gz UWCPMJKPIMTTSU-LJIGWXMPSA-N 2 1 347.463 -0.205 20 30 EBEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114773730 826338881 /nfs/dbraw/zinc/33/88/81/826338881.db2.gz AORDXQYDDIRAQQ-HALDLXJZSA-N 2 1 335.452 -0.253 20 30 EBEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114773730 826338888 /nfs/dbraw/zinc/33/88/88/826338888.db2.gz AORDXQYDDIRAQQ-HALDLXJZSA-N 2 1 335.452 -0.253 20 30 EBEDMP C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21)[NH+]1CCCCCC1 ZINC001114922642 826373346 /nfs/dbraw/zinc/37/33/46/826373346.db2.gz XWBLPBHMSCHJHG-AIANPOQGSA-N 2 1 347.463 -0.063 20 30 EBEDMP C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21)[NH+]1CCCCCC1 ZINC001114922642 826373352 /nfs/dbraw/zinc/37/33/52/826373352.db2.gz XWBLPBHMSCHJHG-AIANPOQGSA-N 2 1 347.463 -0.063 20 30 EBEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001114952656 826380627 /nfs/dbraw/zinc/38/06/27/826380627.db2.gz YYHZKFJEXCXEMU-FVQHAEBGSA-N 2 1 345.447 -0.246 20 30 EBEDMP C#CCN(C(=O)C(=O)NCCn1cc[nH+]c1C)C1CC[NH+](C)CC1 ZINC001119757595 827140929 /nfs/dbraw/zinc/14/09/29/827140929.db2.gz FFBPSTBFYCXMFM-UHFFFAOYSA-N 2 1 331.420 -0.136 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001120879733 827267971 /nfs/dbraw/zinc/26/79/71/827267971.db2.gz YSEWJIOJYOUZKJ-LZZBAHKZSA-N 2 1 348.447 -0.917 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001120879733 827267975 /nfs/dbraw/zinc/26/79/75/827267975.db2.gz YSEWJIOJYOUZKJ-LZZBAHKZSA-N 2 1 348.447 -0.917 20 30 EBEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001183249445 833284691 /nfs/dbraw/zinc/28/46/91/833284691.db2.gz IWQRJSMJHPFZTL-CVEARBPZSA-N 2 1 333.436 -0.346 20 30 EBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131525838 829154127 /nfs/dbraw/zinc/15/41/27/829154127.db2.gz NAUNTURLFKUFPE-SMOJQAGNSA-N 2 1 336.436 -0.754 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186410197 833400770 /nfs/dbraw/zinc/40/07/70/833400770.db2.gz PQUUTGOWYIJLRZ-SJORKVTESA-N 2 1 349.475 -0.079 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186410197 833400771 /nfs/dbraw/zinc/40/07/71/833400771.db2.gz PQUUTGOWYIJLRZ-SJORKVTESA-N 2 1 349.475 -0.079 20 30 EBEDMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001133850091 829686353 /nfs/dbraw/zinc/68/63/53/829686353.db2.gz IWRGAOYVZLMGTM-HNNXBMFYSA-N 2 1 327.404 -0.456 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001147225701 830303616 /nfs/dbraw/zinc/30/36/16/830303616.db2.gz SWMBDGIXFLPSPH-LSDHHAIUSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001147225701 830303621 /nfs/dbraw/zinc/30/36/21/830303621.db2.gz SWMBDGIXFLPSPH-LSDHHAIUSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001147225701 830303634 /nfs/dbraw/zinc/30/36/34/830303634.db2.gz SWMBDGIXFLPSPH-LSDHHAIUSA-N 2 1 332.448 -0.247 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NCC#N)C3)CC[N@@H+]1C ZINC001147583109 830367531 /nfs/dbraw/zinc/36/75/31/830367531.db2.gz LEUCBHHGRYBCJH-LSDHHAIUSA-N 2 1 347.463 -0.109 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NCC#N)C3)CC[N@H+]1C ZINC001147583109 830367537 /nfs/dbraw/zinc/36/75/37/830367537.db2.gz LEUCBHHGRYBCJH-LSDHHAIUSA-N 2 1 347.463 -0.109 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@H+](CC(=O)NCC#N)C3)CC[NH+]1C ZINC001147583109 830367544 /nfs/dbraw/zinc/36/75/44/830367544.db2.gz LEUCBHHGRYBCJH-LSDHHAIUSA-N 2 1 347.463 -0.109 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NCC#N)C3)CC[NH+]1C ZINC001147583109 830367547 /nfs/dbraw/zinc/36/75/47/830367547.db2.gz LEUCBHHGRYBCJH-LSDHHAIUSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)C2 ZINC001148284719 830464901 /nfs/dbraw/zinc/46/49/01/830464901.db2.gz BDGWPMOHKLYZFG-KBPBESRZSA-N 2 1 333.436 -0.642 20 30 EBEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)C2 ZINC001148284719 830464905 /nfs/dbraw/zinc/46/49/05/830464905.db2.gz BDGWPMOHKLYZFG-KBPBESRZSA-N 2 1 333.436 -0.642 20 30 EBEDMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC#N)C2 ZINC001148284719 830464911 /nfs/dbraw/zinc/46/49/11/830464911.db2.gz BDGWPMOHKLYZFG-KBPBESRZSA-N 2 1 333.436 -0.642 20 30 EBEDMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC#N)C2 ZINC001148284719 830464915 /nfs/dbraw/zinc/46/49/15/830464915.db2.gz BDGWPMOHKLYZFG-KBPBESRZSA-N 2 1 333.436 -0.642 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CC[N@H+](C)CCC ZINC001148577870 830512149 /nfs/dbraw/zinc/51/21/49/830512149.db2.gz HEXYTZDIPYUJBN-ZDUSSCGKSA-N 2 1 341.456 -0.176 20 30 EBEDMP CCC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)C2 ZINC001148647381 830522618 /nfs/dbraw/zinc/52/26/18/830522618.db2.gz VKZPSWXAUFLJAQ-UHFFFAOYSA-N 2 1 335.452 -0.108 20 30 EBEDMP CCC[N@@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)C2 ZINC001148647381 830522623 /nfs/dbraw/zinc/52/26/23/830522623.db2.gz VKZPSWXAUFLJAQ-UHFFFAOYSA-N 2 1 335.452 -0.108 20 30 EBEDMP CCC[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC#N)C2 ZINC001148647381 830522630 /nfs/dbraw/zinc/52/26/30/830522630.db2.gz VKZPSWXAUFLJAQ-UHFFFAOYSA-N 2 1 335.452 -0.108 20 30 EBEDMP CCC[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC#N)C2 ZINC001148647381 830522635 /nfs/dbraw/zinc/52/26/35/830522635.db2.gz VKZPSWXAUFLJAQ-UHFFFAOYSA-N 2 1 335.452 -0.108 20 30 EBEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240285 830846240 /nfs/dbraw/zinc/84/62/40/830846240.db2.gz DTXHFXMUHRDBQC-LSDHHAIUSA-N 2 1 340.468 -0.164 20 30 EBEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240285 830846246 /nfs/dbraw/zinc/84/62/46/830846246.db2.gz DTXHFXMUHRDBQC-LSDHHAIUSA-N 2 1 340.468 -0.164 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC=C(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001161878819 832000374 /nfs/dbraw/zinc/00/03/74/832000374.db2.gz BRTUWMNPJACUTC-UHFFFAOYSA-N 2 1 332.448 -0.030 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001161878819 832000379 /nfs/dbraw/zinc/00/03/79/832000379.db2.gz BRTUWMNPJACUTC-UHFFFAOYSA-N 2 1 332.448 -0.030 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001164535678 832195128 /nfs/dbraw/zinc/19/51/28/832195128.db2.gz AFEJAKJCSHUNFE-HUUCEWRRSA-N 2 1 338.452 -0.671 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001164582326 832199832 /nfs/dbraw/zinc/19/98/32/832199832.db2.gz IEXOKPICTDMCPX-HUUCEWRRSA-N 2 1 334.464 -0.048 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187817548 833970430 /nfs/dbraw/zinc/97/04/30/833970430.db2.gz HAMDRNWTCQKFHX-CHWSQXEVSA-N 2 1 337.424 -0.860 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189484114 834161778 /nfs/dbraw/zinc/16/17/78/834161778.db2.gz CRVDSJXEMXVZBO-HRCADAONSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189484114 834161781 /nfs/dbraw/zinc/16/17/81/834161781.db2.gz CRVDSJXEMXVZBO-HRCADAONSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192028171 834594543 /nfs/dbraw/zinc/59/45/43/834594543.db2.gz CWDFNGXISVDQHJ-HUUCEWRRSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC#CCOC)C1 ZINC001200722349 836023727 /nfs/dbraw/zinc/02/37/27/836023727.db2.gz VLEKNMHWOAQLET-ROUUACIJSA-N 2 1 347.459 -0.059 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC#CCOC)C1 ZINC001200722349 836023737 /nfs/dbraw/zinc/02/37/37/836023737.db2.gz VLEKNMHWOAQLET-ROUUACIJSA-N 2 1 347.459 -0.059 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCCO1 ZINC001202162877 836264754 /nfs/dbraw/zinc/26/47/54/836264754.db2.gz BAQNXYOOVBZONW-OAHLLOKOSA-N 2 1 340.468 -0.164 20 30 EBEDMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203641016 836456719 /nfs/dbraw/zinc/45/67/19/836456719.db2.gz MBIDHJOELQMIBX-KBPBESRZSA-N 2 1 335.452 -0.015 20 30 EBEDMP N#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001208333998 837000224 /nfs/dbraw/zinc/00/02/24/837000224.db2.gz CKAZJDWFEMZJKG-KBPBESRZSA-N 2 1 344.419 -0.019 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001208352782 837005973 /nfs/dbraw/zinc/00/59/73/837005973.db2.gz OMAOLCLFNHKEKA-CABCVRRESA-N 2 1 331.420 -0.696 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001208352782 837005983 /nfs/dbraw/zinc/00/59/83/837005983.db2.gz OMAOLCLFNHKEKA-CABCVRRESA-N 2 1 331.420 -0.696 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001319115399 838075153 /nfs/dbraw/zinc/07/51/53/838075153.db2.gz JRMVJVFTVKMWBB-OAHLLOKOSA-N 2 1 336.436 -0.961 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001323871202 839548612 /nfs/dbraw/zinc/54/86/12/839548612.db2.gz BHSBHSJNKWRECH-GOSISDBHSA-N 2 1 332.448 -0.244 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@](O)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001325139757 839795721 /nfs/dbraw/zinc/79/57/21/839795721.db2.gz BIPSBPCPMAXEMJ-WMLDXEAASA-N 2 1 338.452 -0.981 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@](O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001325139757 839795724 /nfs/dbraw/zinc/79/57/24/839795724.db2.gz BIPSBPCPMAXEMJ-WMLDXEAASA-N 2 1 338.452 -0.981 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)CC)C1 ZINC001325139757 839795727 /nfs/dbraw/zinc/79/57/27/839795727.db2.gz BIPSBPCPMAXEMJ-WMLDXEAASA-N 2 1 338.452 -0.981 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)CC)C1 ZINC001325139757 839795732 /nfs/dbraw/zinc/79/57/32/839795732.db2.gz BIPSBPCPMAXEMJ-WMLDXEAASA-N 2 1 338.452 -0.981 20 30 EBEDMP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)NCC#N)C3)CC1 ZINC001325347067 839850514 /nfs/dbraw/zinc/85/05/14/839850514.db2.gz AMQGKGFXVVOMKB-BPUTZDHNSA-N 2 1 347.463 -0.063 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nncn2C)CC1 ZINC001332607394 841688061 /nfs/dbraw/zinc/68/80/61/841688061.db2.gz SSNVOKFBLGJVKI-HNNXBMFYSA-N 2 1 348.451 -0.931 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001480947123 1125889129 /nfs/dbraw/zinc/88/91/29/1125889129.db2.gz JAKVAKAOPVZCSF-QWHCGFSZSA-N 2 1 339.440 -0.614 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001480947123 1125889130 /nfs/dbraw/zinc/88/91/30/1125889130.db2.gz JAKVAKAOPVZCSF-QWHCGFSZSA-N 2 1 339.440 -0.614 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480947123 1125889131 /nfs/dbraw/zinc/88/91/31/1125889131.db2.gz JAKVAKAOPVZCSF-QWHCGFSZSA-N 2 1 339.440 -0.614 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001480947123 1125889132 /nfs/dbraw/zinc/88/91/32/1125889132.db2.gz JAKVAKAOPVZCSF-QWHCGFSZSA-N 2 1 339.440 -0.614 20 30 EBEDMP C[NH+](CC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NCC#N)C1)C1CCC1 ZINC001481488453 1126002164 /nfs/dbraw/zinc/00/21/64/1126002164.db2.gz SZCPSMOVKQDYBX-AWEZNQCLSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[NH+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001481488453 1126002166 /nfs/dbraw/zinc/00/21/66/1126002166.db2.gz SZCPSMOVKQDYBX-AWEZNQCLSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[NH+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001481488453 1126002168 /nfs/dbraw/zinc/00/21/68/1126002168.db2.gz SZCPSMOVKQDYBX-AWEZNQCLSA-N 2 1 335.452 -0.109 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)Nc1cnccn1 ZINC001483236998 1126385684 /nfs/dbraw/zinc/38/56/84/1126385684.db2.gz XDLVTPCMNHQLSY-KBPBESRZSA-N 2 1 344.419 -0.393 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001484414835 1126571910 /nfs/dbraw/zinc/57/19/10/1126571910.db2.gz DHHMGWWQHXZSCH-QXSJWSMHSA-N 2 1 332.448 -0.534 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001484414835 1126571911 /nfs/dbraw/zinc/57/19/11/1126571911.db2.gz DHHMGWWQHXZSCH-QXSJWSMHSA-N 2 1 332.448 -0.534 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001484414835 1126571912 /nfs/dbraw/zinc/57/19/12/1126571912.db2.gz DHHMGWWQHXZSCH-QXSJWSMHSA-N 2 1 332.448 -0.534 20 30 EBEDMP COCC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001484704870 1126623996 /nfs/dbraw/zinc/62/39/96/1126623996.db2.gz QUSTWRSOOHYDKR-ROUUACIJSA-N 2 1 348.491 -0.194 20 30 EBEDMP COCC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001484704870 1126623997 /nfs/dbraw/zinc/62/39/97/1126623997.db2.gz QUSTWRSOOHYDKR-ROUUACIJSA-N 2 1 348.491 -0.194 20 30 EBEDMP C[N@@H+](CC(=O)NCC#N)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001485757610 1126820083 /nfs/dbraw/zinc/82/00/83/1126820083.db2.gz KZBBHICRTFIEEC-MRXNPFEDSA-N 2 1 347.463 -0.109 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001487314946 1127463456 /nfs/dbraw/zinc/46/34/56/1127463456.db2.gz KSYDTMBPHJHODI-NXOAAHMSSA-N 2 1 346.475 -0.144 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001487314946 1127463460 /nfs/dbraw/zinc/46/34/60/1127463460.db2.gz KSYDTMBPHJHODI-NXOAAHMSSA-N 2 1 346.475 -0.144 20 30 EBEDMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001490922642 1130267890 /nfs/dbraw/zinc/26/78/90/1130267890.db2.gz JPMJLOZUZWXLOJ-KKUMJFAQSA-N 2 1 335.452 -0.015 20 30 EBEDMP C[C@@H]1CC[N@H+](CC(=O)N2CC3(C2)CC[NH+](CC(=O)NCC#N)CC3)C1 ZINC001280391912 1130563847 /nfs/dbraw/zinc/56/38/47/1130563847.db2.gz JBPPCCFGFDFPLS-OAHLLOKOSA-N 2 1 347.463 -0.108 20 30 EBEDMP C[C@@H]1CC[N@@H+](CC(=O)N2CC3(C2)CC[NH+](CC(=O)NCC#N)CC3)C1 ZINC001280391912 1130563860 /nfs/dbraw/zinc/56/38/60/1130563860.db2.gz JBPPCCFGFDFPLS-OAHLLOKOSA-N 2 1 347.463 -0.108 20 30 EBEDMP CN(C)C(=O)[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)C1 ZINC000411946149 379124882 /nfs/dbraw/zinc/12/48/82/379124882.db2.gz KZWROUNXHRKPRU-HZPDHXFCSA-N 2 1 334.464 -0.190 20 30 EBEDMP C[C@@H]1OCC[C@@H]1[NH+](CC#CC[N@H+](CCO)[C@H]1CCO[C@H]1C)CCO ZINC000342175185 380757374 /nfs/dbraw/zinc/75/73/74/380757374.db2.gz UJWVKVJECOLRGC-XSLAGTTESA-N 2 1 340.464 -0.067 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430651112 382024547 /nfs/dbraw/zinc/02/45/47/382024547.db2.gz KWKUWKNTYNQMOV-CYBMUJFWSA-N 2 1 337.424 -0.858 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000839807390 583488986 /nfs/dbraw/zinc/48/89/86/583488986.db2.gz CVWRUQYOUCLHEA-KRWDZBQOSA-N 2 1 348.491 -0.003 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000839807390 583488987 /nfs/dbraw/zinc/48/89/87/583488987.db2.gz CVWRUQYOUCLHEA-KRWDZBQOSA-N 2 1 348.491 -0.003 20 30 EBEDMP C#CC[N@@H+](C)CCCNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000867310743 584068384 /nfs/dbraw/zinc/06/83/84/584068384.db2.gz BXZQLTXLADYFMN-UHFFFAOYSA-N 2 1 330.498 -0.502 20 30 EBEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000868389277 584427445 /nfs/dbraw/zinc/42/74/45/584427445.db2.gz OWXPLXSIHIINSU-AWEZNQCLSA-N 2 1 326.441 -0.601 20 30 EBEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000876767813 584522784 /nfs/dbraw/zinc/52/27/84/584522784.db2.gz CPVXGGCOLJKPIP-UONOGXRCSA-N 2 1 330.860 -0.021 20 30 EBEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000884127638 584614801 /nfs/dbraw/zinc/61/48/01/584614801.db2.gz JHQREEWSSCAZQN-HZPDHXFCSA-N 2 1 349.479 -0.029 20 30 EBEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000884127638 584614803 /nfs/dbraw/zinc/61/48/03/584614803.db2.gz JHQREEWSSCAZQN-HZPDHXFCSA-N 2 1 349.479 -0.029 20 30 EBEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000884127638 584614806 /nfs/dbraw/zinc/61/48/06/584614806.db2.gz JHQREEWSSCAZQN-HZPDHXFCSA-N 2 1 349.479 -0.029 20 30 EBEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000884127638 584614809 /nfs/dbraw/zinc/61/48/09/584614809.db2.gz JHQREEWSSCAZQN-HZPDHXFCSA-N 2 1 349.479 -0.029 20 30 EBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCN1S(C)(=O)=O ZINC000133916764 584616990 /nfs/dbraw/zinc/61/69/90/584616990.db2.gz DCWCOBBMSOAHKC-QWHCGFSZSA-N 2 1 331.486 -0.201 20 30 EBEDMP C[NH+]=C(NCCC(=O)N1CC[NH+](C)CC1)N1CCO[C@H](COC)C1 ZINC000261962756 649985484 /nfs/dbraw/zinc/98/54/84/649985484.db2.gz PMMOSBKBKQSQOM-AWEZNQCLSA-N 2 1 341.456 -0.927 20 30 EBEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1nnc2ccccn21 ZINC000303787298 649993286 /nfs/dbraw/zinc/99/32/86/649993286.db2.gz SLYSEYBFSGOANQ-UHFFFAOYSA-N 2 1 331.424 -0.102 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000938171019 652116702 /nfs/dbraw/zinc/11/67/02/652116702.db2.gz SGMDMALKJITXSE-HOTGVXAUSA-N 2 1 332.448 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000938171019 652116704 /nfs/dbraw/zinc/11/67/04/652116704.db2.gz SGMDMALKJITXSE-HOTGVXAUSA-N 2 1 332.448 -0.103 20 30 EBEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000941414723 652724091 /nfs/dbraw/zinc/72/40/91/652724091.db2.gz YJYMVTJAVLNWJB-RDJZCZTQSA-N 2 1 334.464 -0.136 20 30 EBEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000941414723 652724093 /nfs/dbraw/zinc/72/40/93/652724093.db2.gz YJYMVTJAVLNWJB-RDJZCZTQSA-N 2 1 334.464 -0.136 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000939751357 653039482 /nfs/dbraw/zinc/03/94/82/653039482.db2.gz QLDUAZPTJHEJAU-OAGGEKHMSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000939751357 653039483 /nfs/dbraw/zinc/03/94/83/653039483.db2.gz QLDUAZPTJHEJAU-OAGGEKHMSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000939751357 653039486 /nfs/dbraw/zinc/03/94/86/653039486.db2.gz QLDUAZPTJHEJAU-OAGGEKHMSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000939751357 653039487 /nfs/dbraw/zinc/03/94/87/653039487.db2.gz QLDUAZPTJHEJAU-OAGGEKHMSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3nnnn3C)[C@@H](C)C2)CC1 ZINC000939813365 653052847 /nfs/dbraw/zinc/05/28/47/653052847.db2.gz ZUJKDKXAKSHOBM-ZFWWWQNUSA-N 2 1 345.451 -0.508 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000954317853 719664943 /nfs/dbraw/zinc/66/49/43/719664943.db2.gz AQLFXBPTSTUMLO-MRXNPFEDSA-N 2 1 346.475 -0.048 20 30 EBEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](O)C1 ZINC000958468485 722371698 /nfs/dbraw/zinc/37/16/98/722371698.db2.gz YKTHISCVORQICN-GDBMZVCRSA-N 2 1 333.436 -0.510 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC000968952192 725133644 /nfs/dbraw/zinc/13/36/44/725133644.db2.gz DODOQSJGAGTLRW-CVEARBPZSA-N 2 1 332.448 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC000968952192 725133645 /nfs/dbraw/zinc/13/36/45/725133645.db2.gz DODOQSJGAGTLRW-CVEARBPZSA-N 2 1 332.448 -0.103 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC000993855556 725954436 /nfs/dbraw/zinc/95/44/36/725954436.db2.gz RMYMWZSSLRXFLL-MRXNPFEDSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000994753372 726073131 /nfs/dbraw/zinc/07/31/31/726073131.db2.gz ZNDFZIGEYSWHIF-ZBFHGGJFSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000994753372 726073134 /nfs/dbraw/zinc/07/31/34/726073134.db2.gz ZNDFZIGEYSWHIF-ZBFHGGJFSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000994753372 726073138 /nfs/dbraw/zinc/07/31/38/726073138.db2.gz ZNDFZIGEYSWHIF-ZBFHGGJFSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000994753372 726073140 /nfs/dbraw/zinc/07/31/40/726073140.db2.gz ZNDFZIGEYSWHIF-ZBFHGGJFSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000994753640 726074196 /nfs/dbraw/zinc/07/41/96/726074196.db2.gz JLVGPOYRTXVUEV-HNNXBMFYSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000994753640 726074199 /nfs/dbraw/zinc/07/41/99/726074199.db2.gz JLVGPOYRTXVUEV-HNNXBMFYSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC000976287565 726254275 /nfs/dbraw/zinc/25/42/75/726254275.db2.gz UOXAAJOFIKOROM-ALYAQQCSSA-N 2 1 344.459 -0.249 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC000976287565 726254280 /nfs/dbraw/zinc/25/42/80/726254280.db2.gz UOXAAJOFIKOROM-ALYAQQCSSA-N 2 1 344.459 -0.249 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC000976287565 726254284 /nfs/dbraw/zinc/25/42/84/726254284.db2.gz UOXAAJOFIKOROM-ALYAQQCSSA-N 2 1 344.459 -0.249 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC000976287565 726254287 /nfs/dbraw/zinc/25/42/87/726254287.db2.gz UOXAAJOFIKOROM-ALYAQQCSSA-N 2 1 344.459 -0.249 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000999846380 726534840 /nfs/dbraw/zinc/53/48/40/726534840.db2.gz CYXHNYXLQNTEKG-ZBFHGGJFSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000999846380 726534841 /nfs/dbraw/zinc/53/48/41/726534841.db2.gz CYXHNYXLQNTEKG-ZBFHGGJFSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC000999846380 726534842 /nfs/dbraw/zinc/53/48/42/726534842.db2.gz CYXHNYXLQNTEKG-ZBFHGGJFSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC000999846380 726534843 /nfs/dbraw/zinc/53/48/43/726534843.db2.gz CYXHNYXLQNTEKG-ZBFHGGJFSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001020250714 729114898 /nfs/dbraw/zinc/11/48/98/729114898.db2.gz MKLLTLFTOCWBGC-JYJNAYRXSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001020250714 729114899 /nfs/dbraw/zinc/11/48/99/729114899.db2.gz MKLLTLFTOCWBGC-JYJNAYRXSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001024021242 729830450 /nfs/dbraw/zinc/83/04/50/729830450.db2.gz AYLVESAWLBWZRK-CABCVRRESA-N 2 1 345.451 -0.364 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001024021242 729830453 /nfs/dbraw/zinc/83/04/53/729830453.db2.gz AYLVESAWLBWZRK-CABCVRRESA-N 2 1 345.451 -0.364 20 30 EBEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]21 ZINC001025814023 730095115 /nfs/dbraw/zinc/09/51/15/730095115.db2.gz CMMGZJVVLWOIBM-ARKGTOAJSA-N 2 1 332.448 -0.393 20 30 EBEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@@H](C)C(=O)N(C)C)C[C@H]21 ZINC001025814023 730095119 /nfs/dbraw/zinc/09/51/19/730095119.db2.gz CMMGZJVVLWOIBM-ARKGTOAJSA-N 2 1 332.448 -0.393 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001026893841 730168607 /nfs/dbraw/zinc/16/86/07/730168607.db2.gz OQLRSWNRZAALTL-ZBFHGGJFSA-N 2 1 330.436 -0.149 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001026893841 730168608 /nfs/dbraw/zinc/16/86/08/730168608.db2.gz OQLRSWNRZAALTL-ZBFHGGJFSA-N 2 1 330.436 -0.149 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]([C@@H](C)C(=O)NC)C2)CC1 ZINC001029004518 730382699 /nfs/dbraw/zinc/38/26/99/730382699.db2.gz YFPVCPZXXLCMFO-LSDHHAIUSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H]2CCc3ncnn32)C1 ZINC001031742926 730761138 /nfs/dbraw/zinc/76/11/38/730761138.db2.gz XCDQJFPHQKSXHQ-CVEARBPZSA-N 2 1 342.447 -0.089 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H]2CCc3ncnn32)C1 ZINC001031742926 730761139 /nfs/dbraw/zinc/76/11/39/730761139.db2.gz XCDQJFPHQKSXHQ-CVEARBPZSA-N 2 1 342.447 -0.089 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCN(C)C2=O)CC1 ZINC001032800413 730934154 /nfs/dbraw/zinc/93/41/54/730934154.db2.gz IBMPDRLMRZHNSI-YESZJQIVSA-N 2 1 344.459 -0.153 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCN(C)C2=O)CC1 ZINC001032800413 730934157 /nfs/dbraw/zinc/93/41/57/730934157.db2.gz IBMPDRLMRZHNSI-YESZJQIVSA-N 2 1 344.459 -0.153 20 30 EBEDMP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001045664586 733749079 /nfs/dbraw/zinc/74/90/79/733749079.db2.gz KRQBHIAUDPFFBZ-HOTGVXAUSA-N 2 1 335.448 -0.063 20 30 EBEDMP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001045664586 733749080 /nfs/dbraw/zinc/74/90/80/733749080.db2.gz KRQBHIAUDPFFBZ-HOTGVXAUSA-N 2 1 335.448 -0.063 20 30 EBEDMP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC001046072351 733846155 /nfs/dbraw/zinc/84/61/55/733846155.db2.gz YLKWPALFMIKRIC-GOSISDBHSA-N 2 1 348.491 -0.050 20 30 EBEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC001046072351 733846157 /nfs/dbraw/zinc/84/61/57/733846157.db2.gz YLKWPALFMIKRIC-GOSISDBHSA-N 2 1 348.491 -0.050 20 30 EBEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC001046085988 733858055 /nfs/dbraw/zinc/85/80/55/733858055.db2.gz LHERUFKEPBWFTK-IAGOWNOFSA-N 2 1 334.464 -0.441 20 30 EBEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC001046085988 733858058 /nfs/dbraw/zinc/85/80/58/733858058.db2.gz LHERUFKEPBWFTK-IAGOWNOFSA-N 2 1 334.464 -0.441 20 30 EBEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC2)C1 ZINC001046085988 733858060 /nfs/dbraw/zinc/85/80/60/733858060.db2.gz LHERUFKEPBWFTK-IAGOWNOFSA-N 2 1 334.464 -0.441 20 30 EBEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC2)C1 ZINC001046085988 733858064 /nfs/dbraw/zinc/85/80/64/733858064.db2.gz LHERUFKEPBWFTK-IAGOWNOFSA-N 2 1 334.464 -0.441 20 30 EBEDMP C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001055578918 736392416 /nfs/dbraw/zinc/39/24/16/736392416.db2.gz ZXNUQFMEMJWYGX-KBPBESRZSA-N 2 1 335.452 -0.205 20 30 EBEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001070165115 740730216 /nfs/dbraw/zinc/73/02/16/740730216.db2.gz DCDCHKXZGOYMQV-ILXRZTDVSA-N 2 1 334.424 -0.474 20 30 EBEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001070165115 740730218 /nfs/dbraw/zinc/73/02/18/740730218.db2.gz DCDCHKXZGOYMQV-ILXRZTDVSA-N 2 1 334.424 -0.474 20 30 EBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1c1cncn1C ZINC001070720474 740927774 /nfs/dbraw/zinc/92/77/74/740927774.db2.gz SVQBSMJTOOETLK-BFYDXBDKSA-N 2 1 345.447 -0.342 20 30 EBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cncn1C ZINC001070720474 740927776 /nfs/dbraw/zinc/92/77/76/740927776.db2.gz SVQBSMJTOOETLK-BFYDXBDKSA-N 2 1 345.447 -0.342 20 30 EBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1c1cncn1C ZINC001070720475 740927921 /nfs/dbraw/zinc/92/79/21/740927921.db2.gz SVQBSMJTOOETLK-INMHGKMJSA-N 2 1 345.447 -0.342 20 30 EBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cncn1C ZINC001070720475 740927925 /nfs/dbraw/zinc/92/79/25/740927925.db2.gz SVQBSMJTOOETLK-INMHGKMJSA-N 2 1 345.447 -0.342 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]32)CC1 ZINC001076605869 742510565 /nfs/dbraw/zinc/51/05/65/742510565.db2.gz XGLVCBKNVJYAAV-BHYGNILZSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)C(=O)NC)C[C@H]32)CC1 ZINC001076605869 742510567 /nfs/dbraw/zinc/51/05/67/742510567.db2.gz XGLVCBKNVJYAAV-BHYGNILZSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC000983902871 807117220 /nfs/dbraw/zinc/11/72/20/807117220.db2.gz YZFYNDXIFYSLOP-VGWMRTNUSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC000983902871 807117226 /nfs/dbraw/zinc/11/72/26/807117226.db2.gz YZFYNDXIFYSLOP-VGWMRTNUSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3nnnn3C)C[C@@H]2C)CC1 ZINC000989829737 808605587 /nfs/dbraw/zinc/60/55/87/808605587.db2.gz VPTFZIPAHCWNJK-ZFWWWQNUSA-N 2 1 345.451 -0.366 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001214856031 810286040 /nfs/dbraw/zinc/28/60/40/810286040.db2.gz VGMASVASWSEUMK-RBSFLKMASA-N 2 1 343.431 -0.054 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001215155537 810311236 /nfs/dbraw/zinc/31/12/36/810311236.db2.gz BBDBXNCJAJDPJS-BPLDGKMQSA-N 2 1 331.420 -0.234 20 30 EBEDMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001220768572 811233944 /nfs/dbraw/zinc/23/39/44/811233944.db2.gz RVCRDPSDHIUIRL-SJORKVTESA-N 2 1 346.431 -0.202 20 30 EBEDMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001220768572 811233954 /nfs/dbraw/zinc/23/39/54/811233954.db2.gz RVCRDPSDHIUIRL-SJORKVTESA-N 2 1 346.431 -0.202 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224130189 811745768 /nfs/dbraw/zinc/74/57/68/811745768.db2.gz PRKCTZDPGPKURT-PMPSAXMXSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224130189 811745772 /nfs/dbraw/zinc/74/57/72/811745772.db2.gz PRKCTZDPGPKURT-PMPSAXMXSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130189 811745780 /nfs/dbraw/zinc/74/57/80/811745780.db2.gz PRKCTZDPGPKURT-PMPSAXMXSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130189 811745785 /nfs/dbraw/zinc/74/57/85/811745785.db2.gz PRKCTZDPGPKURT-PMPSAXMXSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001227525171 811928395 /nfs/dbraw/zinc/92/83/95/811928395.db2.gz OXWVQAJMZUKJNC-HUUCEWRRSA-N 2 1 331.420 -0.042 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]2C)CC1 ZINC001080998103 812434335 /nfs/dbraw/zinc/43/43/35/812434335.db2.gz SLQDLYDOKCONAI-DJIMGWMZSA-N 2 1 346.475 -0.001 20 30 EBEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246005144 812558492 /nfs/dbraw/zinc/55/84/92/812558492.db2.gz YLPORLIKVMRJHD-CABCVRRESA-N 3 1 343.468 -0.332 20 30 EBEDMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001265560473 813340296 /nfs/dbraw/zinc/34/02/96/813340296.db2.gz SDWYFQKLKJGFBP-BETUJISGSA-N 2 1 332.408 -0.117 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001265718301 813364237 /nfs/dbraw/zinc/36/42/37/813364237.db2.gz JGDKUJXTFQPNIC-OWYFMNJBSA-N 2 1 334.464 -0.243 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001266079045 813452311 /nfs/dbraw/zinc/45/23/11/813452311.db2.gz NGFLCAQEVWVUEO-KGLIPLIRSA-N 2 1 332.408 -0.152 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCn1cncn1)C1CC1 ZINC001266412464 813561843 /nfs/dbraw/zinc/56/18/43/813561843.db2.gz UIGCEJZRYAJQMD-HOTGVXAUSA-N 2 1 330.436 -0.140 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCn1cncn1)C1CC1 ZINC001266412464 813561851 /nfs/dbraw/zinc/56/18/51/813561851.db2.gz UIGCEJZRYAJQMD-HOTGVXAUSA-N 2 1 330.436 -0.140 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001266531658 813598918 /nfs/dbraw/zinc/59/89/18/813598918.db2.gz ABYRXDCUFMUVBN-HOCLYGCPSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001266531658 813598922 /nfs/dbraw/zinc/59/89/22/813598922.db2.gz ABYRXDCUFMUVBN-HOCLYGCPSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001266626502 813626412 /nfs/dbraw/zinc/62/64/12/813626412.db2.gz MHFKFAIMKQTWBP-YHUYYLMFSA-N 2 1 332.448 -0.011 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001267042368 813744394 /nfs/dbraw/zinc/74/43/94/813744394.db2.gz YWSIYJCGQYKXFO-SOUVJXGZSA-N 2 1 335.452 -0.205 20 30 EBEDMP C#CCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001267576873 813937634 /nfs/dbraw/zinc/93/76/34/813937634.db2.gz ALUWMARSSFQGKK-KRWDZBQOSA-N 2 1 336.480 -0.194 20 30 EBEDMP C#CCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001267576873 813937637 /nfs/dbraw/zinc/93/76/37/813937637.db2.gz ALUWMARSSFQGKK-KRWDZBQOSA-N 2 1 336.480 -0.194 20 30 EBEDMP CC(C)[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C1)[NH+](C)C ZINC001267593305 813944812 /nfs/dbraw/zinc/94/48/12/813944812.db2.gz HWBUDLCFFKGOCY-GOEBONIOSA-N 2 1 337.468 -0.007 20 30 EBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267589973 813945139 /nfs/dbraw/zinc/94/51/39/813945139.db2.gz SLHKTXLRVPKLCT-HNNXBMFYSA-N 2 1 334.464 -0.142 20 30 EBEDMP C[N@H+](CC(=O)NCC#N)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001267759199 814029282 /nfs/dbraw/zinc/02/92/82/814029282.db2.gz VUEUHDXGIKALMJ-UHFFFAOYSA-N 2 1 347.463 -0.108 20 30 EBEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148925 814162812 /nfs/dbraw/zinc/16/28/12/814162812.db2.gz NPLRYRFBIXVLNQ-FNYPPERVSA-N 2 1 345.443 -0.216 20 30 EBEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148925 814162817 /nfs/dbraw/zinc/16/28/17/814162817.db2.gz NPLRYRFBIXVLNQ-FNYPPERVSA-N 2 1 345.443 -0.216 20 30 EBEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148925 814162820 /nfs/dbraw/zinc/16/28/20/814162820.db2.gz NPLRYRFBIXVLNQ-FNYPPERVSA-N 2 1 345.443 -0.216 20 30 EBEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083221331 814210902 /nfs/dbraw/zinc/21/09/02/814210902.db2.gz WIKCXRSKVDOYOJ-DLBZAZTESA-N 2 1 345.447 -0.007 20 30 EBEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083221331 814210909 /nfs/dbraw/zinc/21/09/09/814210909.db2.gz WIKCXRSKVDOYOJ-DLBZAZTESA-N 2 1 345.447 -0.007 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001268784549 814385298 /nfs/dbraw/zinc/38/52/98/814385298.db2.gz XKJLIOINJFKMGP-CYBMUJFWSA-N 2 1 339.440 -0.470 20 30 EBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083469854 814464829 /nfs/dbraw/zinc/46/48/29/814464829.db2.gz NMDFEYJDMDVHCP-BDXSIMOUSA-N 2 1 349.475 -0.082 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001269646587 814755551 /nfs/dbraw/zinc/75/55/51/814755551.db2.gz YYPACDVWEYINQF-RDTXWAMCSA-N 2 1 334.464 -0.048 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001269800222 815609301 /nfs/dbraw/zinc/60/93/01/815609301.db2.gz ZFLWLFHVCKCZMW-HOTGVXAUSA-N 2 1 334.464 -0.094 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001269800225 815609464 /nfs/dbraw/zinc/60/94/64/815609464.db2.gz ZFLWLFHVCKCZMW-HZPDHXFCSA-N 2 1 334.464 -0.094 20 30 EBEDMP C[N@@H+](CC(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)C[C@@H]2C1)CC(C)(C)C ZINC001271880469 816243186 /nfs/dbraw/zinc/24/31/86/816243186.db2.gz OWXZNCDJNBLFOZ-GASCZTMLSA-N 2 1 349.479 -0.006 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C1 ZINC001271887802 816244517 /nfs/dbraw/zinc/24/45/17/816244517.db2.gz QHPGCYOXGSFEPJ-OAGGEKHMSA-N 2 1 334.464 -0.144 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001271887802 816244522 /nfs/dbraw/zinc/24/45/22/816244522.db2.gz QHPGCYOXGSFEPJ-OAGGEKHMSA-N 2 1 334.464 -0.144 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001271887802 816244525 /nfs/dbraw/zinc/24/45/25/816244525.db2.gz QHPGCYOXGSFEPJ-OAGGEKHMSA-N 2 1 334.464 -0.144 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+]CC#CCOC)CC[N@H+]1C ZINC001272168605 816336581 /nfs/dbraw/zinc/33/65/81/816336581.db2.gz LQIWUEJZZQPEGF-JKSUJKDBSA-N 2 1 325.453 -0.223 20 30 EBEDMP C=CCN1CC[C@H]([NH2+]C/C=C/CNC(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001273930256 816811663 /nfs/dbraw/zinc/81/16/63/816811663.db2.gz WTOOREQRTXJZQA-SSBHQGKESA-N 2 1 336.436 -0.634 20 30 EBEDMP C=CCN1CC[C@H]([NH2+]C/C=C/CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001273930256 816811671 /nfs/dbraw/zinc/81/16/71/816811671.db2.gz WTOOREQRTXJZQA-SSBHQGKESA-N 2 1 336.436 -0.634 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001275185417 817163395 /nfs/dbraw/zinc/16/33/95/817163395.db2.gz UUTXYWYLRNJVBB-KKUMJFAQSA-N 2 1 330.436 -0.043 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001275185417 817163397 /nfs/dbraw/zinc/16/33/97/817163397.db2.gz UUTXYWYLRNJVBB-KKUMJFAQSA-N 2 1 330.436 -0.043 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)[C@@H]2CCC(=O)NC2=O)CC1 ZINC001275729736 817284510 /nfs/dbraw/zinc/28/45/10/817284510.db2.gz OQFLHSZJXSWFSI-UKRRQHHQSA-N 2 1 348.447 -0.427 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001276886742 817488506 /nfs/dbraw/zinc/48/85/06/817488506.db2.gz NYKZCAYILZSLPD-UHFFFAOYSA-N 2 1 332.448 -0.244 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001276886742 817488510 /nfs/dbraw/zinc/48/85/10/817488510.db2.gz NYKZCAYILZSLPD-UHFFFAOYSA-N 2 1 332.448 -0.244 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001277252839 817539237 /nfs/dbraw/zinc/53/92/37/817539237.db2.gz QBJNGHKFEABTFX-KBPBESRZSA-N 2 1 336.436 -0.917 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001277252839 817539244 /nfs/dbraw/zinc/53/92/44/817539244.db2.gz QBJNGHKFEABTFX-KBPBESRZSA-N 2 1 336.436 -0.917 20 30 EBEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](O)C1 ZINC001090636572 817601601 /nfs/dbraw/zinc/60/16/01/817601601.db2.gz GACXZKRHSZAUOA-HZPDHXFCSA-N 2 1 333.436 -0.367 20 30 EBEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](O)C1 ZINC001090636572 817601608 /nfs/dbraw/zinc/60/16/08/817601608.db2.gz GACXZKRHSZAUOA-HZPDHXFCSA-N 2 1 333.436 -0.367 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001277875429 817650952 /nfs/dbraw/zinc/65/09/52/817650952.db2.gz YRMIYIJSKYZGPU-CVEARBPZSA-N 2 1 347.463 -0.310 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001277875429 817650954 /nfs/dbraw/zinc/65/09/54/817650954.db2.gz YRMIYIJSKYZGPU-CVEARBPZSA-N 2 1 347.463 -0.310 20 30 EBEDMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]CC(=O)NCC#N)C(C)(C)C2)CC[N@H+]1C ZINC001278644526 817787820 /nfs/dbraw/zinc/78/78/20/817787820.db2.gz HBBJUDOHBMOTCO-MCIONIFRSA-N 2 1 335.452 -0.207 20 30 EBEDMP COCC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001278823001 817851775 /nfs/dbraw/zinc/85/17/75/817851775.db2.gz VYLVPQHTNVIWJV-NVXWUHKLSA-N 2 1 325.453 -0.225 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2cnnn2C)C1 ZINC001091075980 817862732 /nfs/dbraw/zinc/86/27/32/817862732.db2.gz GNJIBKMSMCSLCI-XUJLQICISA-N 2 1 330.436 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2cnnn2C)C1 ZINC001091075980 817862741 /nfs/dbraw/zinc/86/27/41/817862741.db2.gz GNJIBKMSMCSLCI-XUJLQICISA-N 2 1 330.436 -0.103 20 30 EBEDMP C[N@@H+]1CCO[C@@H](C(=O)N(CCO)CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001279680582 817969098 /nfs/dbraw/zinc/96/90/98/817969098.db2.gz QSXUJCHSDIBQDJ-QGZVFWFLSA-N 2 1 346.431 -0.201 20 30 EBEDMP C[N@H+]1CCO[C@@H](C(=O)N(CCO)CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001279680582 817969105 /nfs/dbraw/zinc/96/91/05/817969105.db2.gz QSXUJCHSDIBQDJ-QGZVFWFLSA-N 2 1 346.431 -0.201 20 30 EBEDMP C=CCNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001281282343 818133751 /nfs/dbraw/zinc/13/37/51/818133751.db2.gz AJJSHHLDHWUECY-CQSZACIVSA-N 2 1 338.452 -0.505 20 30 EBEDMP C=CCNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001281820466 818286197 /nfs/dbraw/zinc/28/61/97/818286197.db2.gz FTDDIXHGJUMLEK-AWEZNQCLSA-N 2 1 338.452 -0.817 20 30 EBEDMP C=CCNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001281820466 818286201 /nfs/dbraw/zinc/28/62/01/818286201.db2.gz FTDDIXHGJUMLEK-AWEZNQCLSA-N 2 1 338.452 -0.817 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001282858885 818504249 /nfs/dbraw/zinc/50/42/49/818504249.db2.gz NRHGVLHRFWTXEU-LUKYLMHMSA-N 2 1 344.459 -0.628 20 30 EBEDMP CCC[N@@H+](C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001282929042 818534623 /nfs/dbraw/zinc/53/46/23/818534623.db2.gz NTZRORWTXILGKG-KGLIPLIRSA-N 2 1 339.440 -0.827 20 30 EBEDMP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC#CCOC)C[C@@H]1O ZINC001100083068 820182814 /nfs/dbraw/zinc/18/28/14/820182814.db2.gz MQMJTWQSNWNVLE-CVEARBPZSA-N 2 1 325.453 -0.081 20 30 EBEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC#CCOC)C[C@@H]1O ZINC001100083068 820182817 /nfs/dbraw/zinc/18/28/17/820182817.db2.gz MQMJTWQSNWNVLE-CVEARBPZSA-N 2 1 325.453 -0.081 20 30 EBEDMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC#CCOC)C[C@@H]1O ZINC001100083068 820182821 /nfs/dbraw/zinc/18/28/21/820182821.db2.gz MQMJTWQSNWNVLE-CVEARBPZSA-N 2 1 325.453 -0.081 20 30 EBEDMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC#CCOC)C[C@@H]1O ZINC001100083068 820182828 /nfs/dbraw/zinc/18/28/28/820182828.db2.gz MQMJTWQSNWNVLE-CVEARBPZSA-N 2 1 325.453 -0.081 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC#CCOC)C[C@H]2O)CC1 ZINC001100122255 820251177 /nfs/dbraw/zinc/25/11/77/820251177.db2.gz ORJRTDCTHIZDIG-ZWKOTPCHSA-N 2 1 347.459 -0.467 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC#CCOC)C[C@H]2O)CC1 ZINC001100122255 820251187 /nfs/dbraw/zinc/25/11/87/820251187.db2.gz ORJRTDCTHIZDIG-ZWKOTPCHSA-N 2 1 347.459 -0.467 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001100405983 820405836 /nfs/dbraw/zinc/40/58/36/820405836.db2.gz WDUOCPUHBFEUBW-YMAMQOFZSA-N 2 1 343.431 -0.006 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@]2(C)C1 ZINC001101418452 820784161 /nfs/dbraw/zinc/78/41/61/820784161.db2.gz SAOPVBUMQMDYRG-QAPCUYQASA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@]2(C)C1 ZINC001101418452 820784167 /nfs/dbraw/zinc/78/41/67/820784167.db2.gz SAOPVBUMQMDYRG-QAPCUYQASA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@]2(C)C1 ZINC001101418452 820784174 /nfs/dbraw/zinc/78/41/74/820784174.db2.gz SAOPVBUMQMDYRG-QAPCUYQASA-N 2 1 334.464 -0.142 20 30 EBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047945 821011621 /nfs/dbraw/zinc/01/16/21/821011621.db2.gz ZIKRLHJSOBDFRO-XNRPHZJLSA-N 2 1 335.452 -0.350 20 30 EBEDMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001102370154 821081577 /nfs/dbraw/zinc/08/15/77/821081577.db2.gz SIKSMBKRBMVEDD-RRFJBIMHSA-N 2 1 335.452 -0.348 20 30 EBEDMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001102370154 821081585 /nfs/dbraw/zinc/08/15/85/821081585.db2.gz SIKSMBKRBMVEDD-RRFJBIMHSA-N 2 1 335.452 -0.348 20 30 EBEDMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001102370154 821081593 /nfs/dbraw/zinc/08/15/93/821081593.db2.gz SIKSMBKRBMVEDD-RRFJBIMHSA-N 2 1 335.452 -0.348 20 30 EBEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)COCC[NH+](C)C)C2)nn1 ZINC001105361249 821718832 /nfs/dbraw/zinc/71/88/32/821718832.db2.gz VDZICPMYSWFFGM-UHFFFAOYSA-N 2 1 336.440 -0.095 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001316620817 821818196 /nfs/dbraw/zinc/81/81/96/821818196.db2.gz IOJIXRFJJBAZAS-YHUYYLMFSA-N 2 1 334.464 -0.050 20 30 EBEDMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1)CC2 ZINC001317117712 822008017 /nfs/dbraw/zinc/00/80/17/822008017.db2.gz XWMRDPXFYZDPIT-MELADBBJSA-N 2 1 344.419 -0.370 20 30 EBEDMP C=CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001317292713 822069944 /nfs/dbraw/zinc/06/99/44/822069944.db2.gz WNWMRFHBNICROT-LSDHHAIUSA-N 2 1 338.452 -0.553 20 30 EBEDMP C=CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001317292713 822069950 /nfs/dbraw/zinc/06/99/50/822069950.db2.gz WNWMRFHBNICROT-LSDHHAIUSA-N 2 1 338.452 -0.553 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](C[C@H](O)COC)C2)CC1 ZINC001317534355 822148617 /nfs/dbraw/zinc/14/86/17/822148617.db2.gz BFFBKKXZRXLBPO-WBVHZDCISA-N 2 1 337.464 -0.223 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001106255322 822237648 /nfs/dbraw/zinc/23/76/48/822237648.db2.gz LZLKDBNQQNUUMD-HUUCEWRRSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106663226 822308612 /nfs/dbraw/zinc/30/86/12/822308612.db2.gz WZZKWTUQBNUSEY-OWCLPIDISA-N 2 1 334.464 -0.096 20 30 EBEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385519 828610119 /nfs/dbraw/zinc/61/01/19/828610119.db2.gz OSEILBNKYBJJBP-CABCVRRESA-N 2 1 336.440 -0.226 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@]2(C)C[N@H+](C[C@H](C)O)CCO2)CC1 ZINC001108419428 824276012 /nfs/dbraw/zinc/27/60/12/824276012.db2.gz LBKWOSCWTLHCMD-MAUKXSAKSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@]2(C)C[N@@H+](C[C@H](C)O)CCO2)CC1 ZINC001108419428 824276018 /nfs/dbraw/zinc/27/60/18/824276018.db2.gz LBKWOSCWTLHCMD-MAUKXSAKSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001130132670 828738159 /nfs/dbraw/zinc/73/81/59/828738159.db2.gz KGQDZKFWSDUOIN-PMPSAXMXSA-N 2 1 346.435 -0.636 20 30 EBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001130132670 828738163 /nfs/dbraw/zinc/73/81/63/828738163.db2.gz KGQDZKFWSDUOIN-PMPSAXMXSA-N 2 1 346.435 -0.636 20 30 EBEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[NH+](C)C)[nH]1 ZINC001130235101 828763542 /nfs/dbraw/zinc/76/35/42/828763542.db2.gz UBCNLOWJTXCWAV-STQMWFEESA-N 2 1 334.424 -0.532 20 30 EBEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC)[NH+](C)C)[nH]1 ZINC001130220716 828759689 /nfs/dbraw/zinc/75/96/89/828759689.db2.gz JRFUAJOXBWKULR-MJBXVCDLSA-N 2 1 348.451 -0.144 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001114304351 826198403 /nfs/dbraw/zinc/19/84/03/826198403.db2.gz PJKQSNIAOCHUNP-DEQQHWRFSA-N 2 1 332.448 -0.488 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001114304351 826198405 /nfs/dbraw/zinc/19/84/05/826198405.db2.gz PJKQSNIAOCHUNP-DEQQHWRFSA-N 2 1 332.448 -0.488 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001114304351 826198409 /nfs/dbraw/zinc/19/84/09/826198409.db2.gz PJKQSNIAOCHUNP-DEQQHWRFSA-N 2 1 332.448 -0.488 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001114304351 826198413 /nfs/dbraw/zinc/19/84/13/826198413.db2.gz PJKQSNIAOCHUNP-DEQQHWRFSA-N 2 1 332.448 -0.488 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001114403178 826235924 /nfs/dbraw/zinc/23/59/24/826235924.db2.gz ODCGJXSSBUZAIF-LISAXSMJSA-N 2 1 346.475 -0.240 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001114403178 826235930 /nfs/dbraw/zinc/23/59/30/826235930.db2.gz ODCGJXSSBUZAIF-LISAXSMJSA-N 2 1 346.475 -0.240 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001114403178 826235932 /nfs/dbraw/zinc/23/59/32/826235932.db2.gz ODCGJXSSBUZAIF-LISAXSMJSA-N 2 1 346.475 -0.240 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001114403178 826235939 /nfs/dbraw/zinc/23/59/39/826235939.db2.gz ODCGJXSSBUZAIF-LISAXSMJSA-N 2 1 346.475 -0.240 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@H+](C)CC ZINC001114483825 826263049 /nfs/dbraw/zinc/26/30/49/826263049.db2.gz NCKISRVXSSZIAX-KBXIAJHMSA-N 2 1 334.464 -0.099 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)CC ZINC001114483825 826263052 /nfs/dbraw/zinc/26/30/52/826263052.db2.gz NCKISRVXSSZIAX-KBXIAJHMSA-N 2 1 334.464 -0.099 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)CC ZINC001114483825 826263057 /nfs/dbraw/zinc/26/30/57/826263057.db2.gz NCKISRVXSSZIAX-KBXIAJHMSA-N 2 1 334.464 -0.099 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001120879731 827268758 /nfs/dbraw/zinc/26/87/58/827268758.db2.gz YSEWJIOJYOUZKJ-CRIYYSNOSA-N 2 1 348.447 -0.917 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001120879731 827268765 /nfs/dbraw/zinc/26/87/65/827268765.db2.gz YSEWJIOJYOUZKJ-CRIYYSNOSA-N 2 1 348.447 -0.917 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127695445 828314151 /nfs/dbraw/zinc/31/41/51/828314151.db2.gz LLLNRDVIIBTWGO-QWHCGFSZSA-N 2 1 339.440 -0.566 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186366992 833398944 /nfs/dbraw/zinc/39/89/44/833398944.db2.gz GFOLFVBLENZTQL-LSDHHAIUSA-N 2 1 338.452 -0.410 20 30 EBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1=O ZINC001132848285 829533014 /nfs/dbraw/zinc/53/30/14/829533014.db2.gz DASAIFIFNLQWSU-GJZGRUSLSA-N 2 1 338.452 -0.412 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001133313238 829620799 /nfs/dbraw/zinc/62/07/99/829620799.db2.gz BUYNANFETQYAPS-UKRRQHHQSA-N 2 1 346.435 -0.095 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001133865434 829689737 /nfs/dbraw/zinc/68/97/37/829689737.db2.gz CTESAPUVNCZVSQ-TZMCWYRMSA-N 2 1 331.420 -0.402 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135675442 830004475 /nfs/dbraw/zinc/00/44/75/830004475.db2.gz FZIIEBBCTIVPHV-HUUCEWRRSA-N 2 1 340.468 -0.116 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135905848 830041386 /nfs/dbraw/zinc/04/13/86/830041386.db2.gz LLRWBLGWBRSIKH-CYBMUJFWSA-N 2 1 340.387 -0.275 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001147567027 830362985 /nfs/dbraw/zinc/36/29/85/830362985.db2.gz UESSNMWWTOWKPJ-MRXNPFEDSA-N 2 1 344.459 -0.388 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001147567027 830362990 /nfs/dbraw/zinc/36/29/90/830362990.db2.gz UESSNMWWTOWKPJ-MRXNPFEDSA-N 2 1 344.459 -0.388 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001147788004 830412666 /nfs/dbraw/zinc/41/26/66/830412666.db2.gz QVSVCDLOLYASCA-OAHLLOKOSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001147788004 830412668 /nfs/dbraw/zinc/41/26/68/830412668.db2.gz QVSVCDLOLYASCA-OAHLLOKOSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001147788004 830412669 /nfs/dbraw/zinc/41/26/69/830412669.db2.gz QVSVCDLOLYASCA-OAHLLOKOSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001147788004 830412671 /nfs/dbraw/zinc/41/26/71/830412671.db2.gz QVSVCDLOLYASCA-OAHLLOKOSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001148285123 830464604 /nfs/dbraw/zinc/46/46/04/830464604.db2.gz NCYCUYFNVFDZDK-OAHLLOKOSA-N 2 1 332.448 -0.388 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001148285123 830464616 /nfs/dbraw/zinc/46/46/16/830464616.db2.gz NCYCUYFNVFDZDK-OAHLLOKOSA-N 2 1 332.448 -0.388 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001148285123 830464621 /nfs/dbraw/zinc/46/46/21/830464621.db2.gz NCYCUYFNVFDZDK-OAHLLOKOSA-N 2 1 332.448 -0.388 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001148285123 830464625 /nfs/dbraw/zinc/46/46/25/830464625.db2.gz NCYCUYFNVFDZDK-OAHLLOKOSA-N 2 1 332.448 -0.388 20 30 EBEDMP C[C@@H]1CC[N@H+](CC(=O)N2CC3(C2)CC[NH+](CC(=O)NCC#N)C3)C1 ZINC001148292258 830465512 /nfs/dbraw/zinc/46/55/12/830465512.db2.gz HLRHWXHVAPMGGB-CQSZACIVSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[C@@H]1CC[N@@H+](CC(=O)N2CC3(C2)CC[NH+](CC(=O)NCC#N)C3)C1 ZINC001148292258 830465514 /nfs/dbraw/zinc/46/55/14/830465514.db2.gz HLRHWXHVAPMGGB-CQSZACIVSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[C@@H]1CC[NH+](CC(=O)N2CC3(C2)CC[N@H+](CC(=O)NCC#N)C3)C1 ZINC001148292258 830465520 /nfs/dbraw/zinc/46/55/20/830465520.db2.gz HLRHWXHVAPMGGB-CQSZACIVSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[C@@H]1CC[NH+](CC(=O)N2CC3(C2)CC[N@@H+](CC(=O)NCC#N)C3)C1 ZINC001148292258 830465525 /nfs/dbraw/zinc/46/55/25/830465525.db2.gz HLRHWXHVAPMGGB-CQSZACIVSA-N 2 1 333.436 -0.498 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001148298376 830466931 /nfs/dbraw/zinc/46/69/31/830466931.db2.gz OLNOBANNRDKOKD-CABCVRRESA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150241228 830845094 /nfs/dbraw/zinc/84/50/94/830845094.db2.gz NJJQTIKTDKRPJR-GJZGRUSLSA-N 2 1 338.452 -0.717 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150241228 830845103 /nfs/dbraw/zinc/84/51/03/830845103.db2.gz NJJQTIKTDKRPJR-GJZGRUSLSA-N 2 1 338.452 -0.717 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152444877 831163031 /nfs/dbraw/zinc/16/30/31/831163031.db2.gz ARRFWSWEVZDOEJ-GFCCVEGCSA-N 2 1 327.429 -0.567 20 30 EBEDMP C[N@@H+](CC(=O)NCC#N)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158865568 831692833 /nfs/dbraw/zinc/69/28/33/831692833.db2.gz FGDAIVWLNXVGHJ-HUUCEWRRSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[N@H+](CC(=O)NCC#N)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158865568 831692835 /nfs/dbraw/zinc/69/28/35/831692835.db2.gz FGDAIVWLNXVGHJ-HUUCEWRRSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[NH+](CC(=O)NCC#N)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001158865568 831692837 /nfs/dbraw/zinc/69/28/37/831692837.db2.gz FGDAIVWLNXVGHJ-HUUCEWRRSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[NH+](CC(=O)NCC#N)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001158865568 831692839 /nfs/dbraw/zinc/69/28/39/831692839.db2.gz FGDAIVWLNXVGHJ-HUUCEWRRSA-N 2 1 335.452 -0.109 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001160209565 831825230 /nfs/dbraw/zinc/82/52/30/831825230.db2.gz QRQJLZCKXWUZBD-CABCVRRESA-N 2 1 330.436 -0.041 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001160209565 831825237 /nfs/dbraw/zinc/82/52/37/831825237.db2.gz QRQJLZCKXWUZBD-CABCVRRESA-N 2 1 330.436 -0.041 20 30 EBEDMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC1=CC[NH+](CC(=O)NCC#N)CC1 ZINC001161205825 831937875 /nfs/dbraw/zinc/93/78/75/831937875.db2.gz HGLUYEHWESMVGB-GOEBONIOSA-N 2 1 347.463 -0.038 20 30 EBEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC1=CC[NH+](CC(=O)NCC#N)CC1 ZINC001161205825 831937878 /nfs/dbraw/zinc/93/78/78/831937878.db2.gz HGLUYEHWESMVGB-GOEBONIOSA-N 2 1 347.463 -0.038 20 30 EBEDMP C[C@H]1C[NH+](C)C[C@H]1C(=O)NCCC1=CC[N@H+](CC(=O)NCC#N)CC1 ZINC001161205825 831937882 /nfs/dbraw/zinc/93/78/82/831937882.db2.gz HGLUYEHWESMVGB-GOEBONIOSA-N 2 1 347.463 -0.038 20 30 EBEDMP C[C@H]1C[NH+](C)C[C@H]1C(=O)NCCC1=CC[N@@H+](CC(=O)NCC#N)CC1 ZINC001161205825 831937886 /nfs/dbraw/zinc/93/78/86/831937886.db2.gz HGLUYEHWESMVGB-GOEBONIOSA-N 2 1 347.463 -0.038 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@H](O)COC)CC1 ZINC001165546204 832226408 /nfs/dbraw/zinc/22/64/08/832226408.db2.gz YUVPKNQYOWKUSX-HOTGVXAUSA-N 2 1 337.464 -0.033 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@H](O)COC)CC1 ZINC001165546204 832226412 /nfs/dbraw/zinc/22/64/12/832226412.db2.gz YUVPKNQYOWKUSX-HOTGVXAUSA-N 2 1 337.464 -0.033 20 30 EBEDMP C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001169982498 832486903 /nfs/dbraw/zinc/48/69/03/832486903.db2.gz LPPMAEMEZNBDHM-ZIAGYGMSSA-N 2 1 339.440 -0.779 20 30 EBEDMP C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001169982498 832486907 /nfs/dbraw/zinc/48/69/07/832486907.db2.gz LPPMAEMEZNBDHM-ZIAGYGMSSA-N 2 1 339.440 -0.779 20 30 EBEDMP C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001169981999 832487125 /nfs/dbraw/zinc/48/71/25/832487125.db2.gz JBCUZPMRFOQETN-LSDHHAIUSA-N 2 1 340.468 -0.116 20 30 EBEDMP C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001169981999 832487126 /nfs/dbraw/zinc/48/71/26/832487126.db2.gz JBCUZPMRFOQETN-LSDHHAIUSA-N 2 1 340.468 -0.116 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176986078 832726157 /nfs/dbraw/zinc/72/61/57/832726157.db2.gz DFLRULOONWUVDQ-CYBMUJFWSA-N 2 1 341.456 -0.177 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192143075 834616872 /nfs/dbraw/zinc/61/68/72/834616872.db2.gz KYUDXHPUHQUFCP-GDBMZVCRSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001194245831 835059643 /nfs/dbraw/zinc/05/96/43/835059643.db2.gz GHVIYKKHMZMKLE-QGZVFWFLSA-N 2 1 344.459 -0.386 20 30 EBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001194245831 835059654 /nfs/dbraw/zinc/05/96/54/835059654.db2.gz GHVIYKKHMZMKLE-QGZVFWFLSA-N 2 1 344.459 -0.386 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200116071 835911170 /nfs/dbraw/zinc/91/11/70/835911170.db2.gz SLCYSPCXISNBID-LSDHHAIUSA-N 2 1 338.452 -0.410 20 30 EBEDMP N#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001200658077 836011238 /nfs/dbraw/zinc/01/12/38/836011238.db2.gz GZQLYFQLVVLGNT-LSDHHAIUSA-N 2 1 349.435 -0.930 20 30 EBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CCCO1 ZINC001200688319 836015102 /nfs/dbraw/zinc/01/51/02/836015102.db2.gz NGYFXCMQVJEAEA-HOTGVXAUSA-N 2 1 333.436 -0.346 20 30 EBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CCCO1 ZINC001201034843 836082869 /nfs/dbraw/zinc/08/28/69/836082869.db2.gz YEXIZNGEYDLTSN-GARNVTTQSA-N 2 1 333.432 -0.310 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NC2CC2)CC1 ZINC001201093962 836093100 /nfs/dbraw/zinc/09/31/00/836093100.db2.gz KZGLCTSPSKUTTP-INIZCTEOSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NC2CC2)CC1 ZINC001201093962 836093108 /nfs/dbraw/zinc/09/31/08/836093108.db2.gz KZGLCTSPSKUTTP-INIZCTEOSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NC(=O)NC)CC1 ZINC001201094006 836093229 /nfs/dbraw/zinc/09/32/29/836093229.db2.gz MAGVMGYDBMEGNC-AWEZNQCLSA-N 2 1 349.435 -0.880 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NC(=O)NC)CC1 ZINC001201094006 836093236 /nfs/dbraw/zinc/09/32/36/836093236.db2.gz MAGVMGYDBMEGNC-AWEZNQCLSA-N 2 1 349.435 -0.880 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001203168064 836402967 /nfs/dbraw/zinc/40/29/67/836402967.db2.gz JGPWFWRHOVROID-CABCVRRESA-N 2 1 343.431 -0.042 20 30 EBEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203794210 836477414 /nfs/dbraw/zinc/47/74/14/836477414.db2.gz VNJHVOSZUUHQAC-UONOGXRCSA-N 2 1 335.452 -0.017 20 30 EBEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001203798432 836479394 /nfs/dbraw/zinc/47/93/94/836479394.db2.gz UPKUTZXBMAUXPR-HNNXBMFYSA-N 2 1 338.452 -0.410 20 30 EBEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001203798432 836479398 /nfs/dbraw/zinc/47/93/98/836479398.db2.gz UPKUTZXBMAUXPR-HNNXBMFYSA-N 2 1 338.452 -0.410 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1 ZINC001205703746 836585911 /nfs/dbraw/zinc/58/59/11/836585911.db2.gz MNVKPTBLRBXQSG-UHFFFAOYSA-N 2 1 332.408 -0.341 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001206281118 836634830 /nfs/dbraw/zinc/63/48/30/836634830.db2.gz BHXXLYOHNZIFBR-HOCLYGCPSA-N 2 1 334.464 -0.238 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001320112696 838232492 /nfs/dbraw/zinc/23/24/92/838232492.db2.gz FGAUFFQOLPDIGG-GJZGRUSLSA-N 2 1 333.436 -0.355 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001320755171 838830248 /nfs/dbraw/zinc/83/02/48/838830248.db2.gz CNMZTGRFITZHJP-HOTGVXAUSA-N 2 1 332.448 -0.340 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001320755171 838830249 /nfs/dbraw/zinc/83/02/49/838830249.db2.gz CNMZTGRFITZHJP-HOTGVXAUSA-N 2 1 332.448 -0.340 20 30 EBEDMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N)CC2 ZINC001321211793 838937332 /nfs/dbraw/zinc/93/73/32/838937332.db2.gz SAHKMDPQJPQTDL-HSWBROFVSA-N 2 1 344.419 -0.344 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCN1C(=O)CCC1=O ZINC001321543338 839014582 /nfs/dbraw/zinc/01/45/82/839014582.db2.gz LSZZPGGKLSTDKB-KGLIPLIRSA-N 2 1 334.420 -0.673 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCN1C(=O)CCC1=O ZINC001321543338 839014594 /nfs/dbraw/zinc/01/45/94/839014594.db2.gz LSZZPGGKLSTDKB-KGLIPLIRSA-N 2 1 334.420 -0.673 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@](O)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001325139759 839794952 /nfs/dbraw/zinc/79/49/52/839794952.db2.gz BIPSBPCPMAXEMJ-YOEHRIQHSA-N 2 1 338.452 -0.981 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@](O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001325139759 839794961 /nfs/dbraw/zinc/79/49/61/839794961.db2.gz BIPSBPCPMAXEMJ-YOEHRIQHSA-N 2 1 338.452 -0.981 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)CC)C1 ZINC001325139759 839794969 /nfs/dbraw/zinc/79/49/69/839794969.db2.gz BIPSBPCPMAXEMJ-YOEHRIQHSA-N 2 1 338.452 -0.981 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)CC)C1 ZINC001325139759 839794975 /nfs/dbraw/zinc/79/49/75/839794975.db2.gz BIPSBPCPMAXEMJ-YOEHRIQHSA-N 2 1 338.452 -0.981 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001325916812 839975010 /nfs/dbraw/zinc/97/50/10/839975010.db2.gz AHPAHJNYTYKTEB-LSDHHAIUSA-N 2 1 345.447 -0.213 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001325916812 839975017 /nfs/dbraw/zinc/97/50/17/839975017.db2.gz AHPAHJNYTYKTEB-LSDHHAIUSA-N 2 1 345.447 -0.213 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCc1ccns1 ZINC001331724484 841471588 /nfs/dbraw/zinc/47/15/88/841471588.db2.gz GAYYKIYWGPHZPX-HIFRSBDPSA-N 2 1 336.461 -0.150 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCc1ccns1 ZINC001331724484 841471591 /nfs/dbraw/zinc/47/15/91/841471591.db2.gz GAYYKIYWGPHZPX-HIFRSBDPSA-N 2 1 336.461 -0.150 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001332529896 841662568 /nfs/dbraw/zinc/66/25/68/841662568.db2.gz QVVIPYQUOXHWPD-UONOGXRCSA-N 2 1 326.441 -0.818 20 30 EBEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001332617231 841690284 /nfs/dbraw/zinc/69/02/84/841690284.db2.gz CPJHWNSQXRVEBM-KGLIPLIRSA-N 2 1 326.441 -0.866 20 30 EBEDMP C=CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001332617231 841690289 /nfs/dbraw/zinc/69/02/89/841690289.db2.gz CPJHWNSQXRVEBM-KGLIPLIRSA-N 2 1 326.441 -0.866 20 30 EBEDMP C=CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001332617231 841690292 /nfs/dbraw/zinc/69/02/92/841690292.db2.gz CPJHWNSQXRVEBM-KGLIPLIRSA-N 2 1 326.441 -0.866 20 30 EBEDMP C=CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001332617231 841690297 /nfs/dbraw/zinc/69/02/97/841690297.db2.gz CPJHWNSQXRVEBM-KGLIPLIRSA-N 2 1 326.441 -0.866 20 30 EBEDMP CC(C)(C(=O)NC[C@H]1CC[N@H+](CC(=O)NCC#N)C1)[NH+]1CCCC1 ZINC001691151682 1125838688 /nfs/dbraw/zinc/83/86/88/1125838688.db2.gz QMGXNGHIMORVCS-CQSZACIVSA-N 2 1 335.452 -0.061 20 30 EBEDMP CC(C)(C(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1)[NH+]1CCCC1 ZINC001691151682 1125838689 /nfs/dbraw/zinc/83/86/89/1125838689.db2.gz QMGXNGHIMORVCS-CQSZACIVSA-N 2 1 335.452 -0.061 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001691184198 1125841439 /nfs/dbraw/zinc/84/14/39/1125841439.db2.gz CUDLUWJJMJSJEA-QEJZJMRPSA-N 2 1 331.420 -0.186 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001481122463 1125926781 /nfs/dbraw/zinc/92/67/81/1125926781.db2.gz AVECJWRGDKFXSN-UKRRQHHQSA-N 2 1 331.420 -0.232 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001481122463 1125926783 /nfs/dbraw/zinc/92/67/83/1125926783.db2.gz AVECJWRGDKFXSN-UKRRQHHQSA-N 2 1 331.420 -0.232 20 30 EBEDMP C=CCNC(=O)NC(=O)CN1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001481709244 1126043778 /nfs/dbraw/zinc/04/37/78/1126043778.db2.gz FODJSUGCRRKIJO-CYBMUJFWSA-N 2 1 348.407 -0.606 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482365741 1126139258 /nfs/dbraw/zinc/13/92/58/1126139258.db2.gz XQJWTOHLFMTDCK-QWHCGFSZSA-N 2 1 339.440 -0.614 20 30 EBEDMP C#CC[N@H+]1CCC[C@](CO)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001484436464 1126578368 /nfs/dbraw/zinc/57/83/68/1126578368.db2.gz WRAUVLVQTAQZHV-KRWDZBQOSA-N 2 1 333.436 -0.365 20 30 EBEDMP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001484436464 1126578369 /nfs/dbraw/zinc/57/83/69/1126578369.db2.gz WRAUVLVQTAQZHV-KRWDZBQOSA-N 2 1 333.436 -0.365 20 30 EBEDMP C=CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001484512281 1126600509 /nfs/dbraw/zinc/60/05/09/1126600509.db2.gz QZBIBKCRPWHOMA-LSDHHAIUSA-N 2 1 338.452 -0.553 20 30 EBEDMP C=CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001484512281 1126600510 /nfs/dbraw/zinc/60/05/10/1126600510.db2.gz QZBIBKCRPWHOMA-LSDHHAIUSA-N 2 1 338.452 -0.553 20 30 EBEDMP COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001486294537 1127103107 /nfs/dbraw/zinc/10/31/07/1127103107.db2.gz IPJNPWAVQONGNG-NVXWUHKLSA-N 2 1 348.447 -0.187 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CCOCCO)CC1 ZINC001488698220 1128828440 /nfs/dbraw/zinc/82/84/40/1128828440.db2.gz IKMYLTSDGJLFOV-QGZVFWFLSA-N 2 1 337.464 -0.127 20 30 EBEDMP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)CC[NH+]2CCOCC2)n1 ZINC001489078253 1128907169 /nfs/dbraw/zinc/90/71/69/1128907169.db2.gz LWKZZIYQBMOMCZ-UHFFFAOYSA-N 2 1 335.408 -0.204 20 30 EBEDMP COCC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001489174153 1128917709 /nfs/dbraw/zinc/91/77/09/1128917709.db2.gz NZQUZKXIYBOQTR-IAGOWNOFSA-N 2 1 337.464 -0.127 20 30 EBEDMP COCC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001489174153 1128917711 /nfs/dbraw/zinc/91/77/11/1128917711.db2.gz NZQUZKXIYBOQTR-IAGOWNOFSA-N 2 1 337.464 -0.127 20 30 EBEDMP COCC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001489174153 1128917713 /nfs/dbraw/zinc/91/77/13/1128917713.db2.gz NZQUZKXIYBOQTR-IAGOWNOFSA-N 2 1 337.464 -0.127 20 30 EBEDMP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NCC#N)CC2)CC1 ZINC001280756859 1129396622 /nfs/dbraw/zinc/39/66/22/1129396622.db2.gz PGJRBUINBNYROX-CQSZACIVSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NCC#N)CC2)CC1 ZINC001280756859 1129396626 /nfs/dbraw/zinc/39/66/26/1129396626.db2.gz PGJRBUINBNYROX-CQSZACIVSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001491338303 1130404973 /nfs/dbraw/zinc/40/49/73/1130404973.db2.gz ZEFAHAXAQWJEJS-CKENWRIRSA-N 2 1 333.436 -0.455 20 30 EBEDMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001491338303 1130404975 /nfs/dbraw/zinc/40/49/75/1130404975.db2.gz ZEFAHAXAQWJEJS-CKENWRIRSA-N 2 1 333.436 -0.455 20 30 EBEDMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001491338305 1130405117 /nfs/dbraw/zinc/40/51/17/1130405117.db2.gz ZEFAHAXAQWJEJS-WZKSRPPSSA-N 2 1 333.436 -0.455 20 30 EBEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001491338305 1130405118 /nfs/dbraw/zinc/40/51/18/1130405118.db2.gz ZEFAHAXAQWJEJS-WZKSRPPSSA-N 2 1 333.436 -0.455 20 30 EBEDMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001491338305 1130405119 /nfs/dbraw/zinc/40/51/19/1130405119.db2.gz ZEFAHAXAQWJEJS-WZKSRPPSSA-N 2 1 333.436 -0.455 20 30 EBEDMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001491338305 1130405121 /nfs/dbraw/zinc/40/51/21/1130405121.db2.gz ZEFAHAXAQWJEJS-WZKSRPPSSA-N 2 1 333.436 -0.455 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001330695566 1130713183 /nfs/dbraw/zinc/71/31/83/1130713183.db2.gz UMQOABCBUBUYJE-MPGHIAIKSA-N 2 1 332.448 -0.294 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001356835230 1130967342 /nfs/dbraw/zinc/96/73/42/1130967342.db2.gz AUJXOZHHESVKPW-HOTGVXAUSA-N 2 1 334.464 -0.001 20 30 EBEDMP C[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)C[NH+]1CCOCC1 ZINC000267387393 379269482 /nfs/dbraw/zinc/26/94/82/379269482.db2.gz CBTTZPCTGAHGKG-HNNXBMFYSA-N 2 1 347.467 -0.118 20 30 EBEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000491298756 379595648 /nfs/dbraw/zinc/59/56/48/379595648.db2.gz XHNUJTXBDOXCLM-INIZCTEOSA-N 2 1 349.479 -0.111 20 30 EBEDMP C#CC[NH+](C)CCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000491298756 379595654 /nfs/dbraw/zinc/59/56/54/379595654.db2.gz XHNUJTXBDOXCLM-INIZCTEOSA-N 2 1 349.479 -0.111 20 30 EBEDMP C#CC[NH+](C)CCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000491298756 379595659 /nfs/dbraw/zinc/59/56/59/379595659.db2.gz XHNUJTXBDOXCLM-INIZCTEOSA-N 2 1 349.479 -0.111 20 30 EBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCn2ncc(C(N)=O)c2C1 ZINC000280043904 379968901 /nfs/dbraw/zinc/96/89/01/379968901.db2.gz RANYTWVTDLKBNO-QWHCGFSZSA-N 2 1 347.467 -0.067 20 30 EBEDMP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)c1C#N ZINC000535004730 421218614 /nfs/dbraw/zinc/21/86/14/421218614.db2.gz QIMPZXLABVQMLI-CQSZACIVSA-N 2 1 331.424 -0.238 20 30 EBEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891921698 582563306 /nfs/dbraw/zinc/56/33/06/582563306.db2.gz SEVJLRDXIBFWOE-KFWWJZLASA-N 2 1 349.435 -0.482 20 30 EBEDMP C=C1[C@H](C(=O)NC[C@@H]2CC[NH+](C)C2)[C@@H]1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000900306229 582766450 /nfs/dbraw/zinc/76/64/50/582766450.db2.gz PRWPTUPGRIKVTF-GEEKYZPCSA-N 2 1 334.464 -0.076 20 30 EBEDMP C=C1[C@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)[C@@H]1C(=O)NC[C@H]1CC[NH+](C)C1 ZINC000900306229 582766453 /nfs/dbraw/zinc/76/64/53/582766453.db2.gz PRWPTUPGRIKVTF-GEEKYZPCSA-N 2 1 334.464 -0.076 20 30 EBEDMP C=C1[C@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)[C@@H]1C(=O)NC[C@H]1CC[NH+](C)C1 ZINC000900306229 582766456 /nfs/dbraw/zinc/76/64/56/582766456.db2.gz PRWPTUPGRIKVTF-GEEKYZPCSA-N 2 1 334.464 -0.076 20 30 EBEDMP C[NH+]=C(NCCC[N@H+]1CCCO[C@H](C)C1)NCCN1CCOCC1 ZINC000849104420 584166028 /nfs/dbraw/zinc/16/60/28/584166028.db2.gz PNUIUGYPRIPUNM-MRXNPFEDSA-N 2 1 341.500 -0.016 20 30 EBEDMP CN(C)C(=O)CNC(=[NH+]C1CC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262283836 649986775 /nfs/dbraw/zinc/98/67/75/649986775.db2.gz JPNVDQKLZQFSGI-AWEZNQCLSA-N 2 1 337.468 -0.163 20 30 EBEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000303769882 649992944 /nfs/dbraw/zinc/99/29/44/649992944.db2.gz BHPOVEVFDNODQY-MRXNPFEDSA-N 2 1 341.500 -0.030 20 30 EBEDMP CCS(=O)(=O)N(C)CCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303908238 649993193 /nfs/dbraw/zinc/99/31/93/649993193.db2.gz XJHAXBPODDGMEV-UHFFFAOYSA-N 2 1 349.501 -0.715 20 30 EBEDMP CC(C)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)N1CCOCC1 ZINC000303777499 649993353 /nfs/dbraw/zinc/99/33/53/649993353.db2.gz IVVPANAMHROFTE-UHFFFAOYSA-N 2 1 327.473 -0.276 20 30 EBEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)CC2)C1 ZINC000941494593 652769176 /nfs/dbraw/zinc/76/91/76/652769176.db2.gz PSVDDIWKZKVLIW-URSIVYNOSA-N 2 1 346.475 -0.136 20 30 EBEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)CC2)C1 ZINC000941494593 652769179 /nfs/dbraw/zinc/76/91/79/652769179.db2.gz PSVDDIWKZKVLIW-URSIVYNOSA-N 2 1 346.475 -0.136 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)CC1 ZINC000962778866 723322306 /nfs/dbraw/zinc/32/23/06/723322306.db2.gz QJFCRKPYCPLNHJ-VQFNDLOPSA-N 2 1 344.459 -0.343 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)CC1 ZINC000962778866 723322310 /nfs/dbraw/zinc/32/23/10/723322310.db2.gz QJFCRKPYCPLNHJ-VQFNDLOPSA-N 2 1 344.459 -0.343 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@@H]1CCNC1=O)C2 ZINC000963962024 723511724 /nfs/dbraw/zinc/51/17/24/723511724.db2.gz VXDYIIRSWMOADY-NFIWUILVSA-N 2 1 344.459 -0.011 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@@H]1CCNC1=O)C2 ZINC000963962024 723511726 /nfs/dbraw/zinc/51/17/26/723511726.db2.gz VXDYIIRSWMOADY-NFIWUILVSA-N 2 1 344.459 -0.011 20 30 EBEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000973964682 725836388 /nfs/dbraw/zinc/83/63/88/725836388.db2.gz KBUTWNTYPGGMIO-FZKCQIBNSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000973964682 725836392 /nfs/dbraw/zinc/83/63/92/725836392.db2.gz KBUTWNTYPGGMIO-FZKCQIBNSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000973964682 725836396 /nfs/dbraw/zinc/83/63/96/725836396.db2.gz KBUTWNTYPGGMIO-FZKCQIBNSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000973964682 725836401 /nfs/dbraw/zinc/83/64/01/725836401.db2.gz KBUTWNTYPGGMIO-FZKCQIBNSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC000993855347 725954368 /nfs/dbraw/zinc/95/43/68/725954368.db2.gz OPFPQYJYSFNHRI-PBHICJAKSA-N 2 1 346.475 -0.144 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000994753327 726073372 /nfs/dbraw/zinc/07/33/72/726073372.db2.gz YROCGLCABQZLLP-HNNXBMFYSA-N 2 1 330.432 -0.493 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000994753327 726073373 /nfs/dbraw/zinc/07/33/73/726073373.db2.gz YROCGLCABQZLLP-HNNXBMFYSA-N 2 1 330.432 -0.493 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000997830965 726466933 /nfs/dbraw/zinc/46/69/33/726466933.db2.gz FHLWENUOBUFEGR-CVEARBPZSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000997830965 726466934 /nfs/dbraw/zinc/46/69/34/726466934.db2.gz FHLWENUOBUFEGR-CVEARBPZSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnnn2C)C1 ZINC000999393691 726518062 /nfs/dbraw/zinc/51/80/62/726518062.db2.gz XRFLKXJDZHCKCI-HOCLYGCPSA-N 2 1 330.436 -0.007 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnnn2C)C1 ZINC000999393691 726518063 /nfs/dbraw/zinc/51/80/63/726518063.db2.gz XRFLKXJDZHCKCI-HOCLYGCPSA-N 2 1 330.436 -0.007 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000999877527 726537304 /nfs/dbraw/zinc/53/73/04/726537304.db2.gz ONUMQTIBJYRPNP-HOCLYGCPSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000999877527 726537305 /nfs/dbraw/zinc/53/73/05/726537305.db2.gz ONUMQTIBJYRPNP-HOCLYGCPSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000999877527 726537306 /nfs/dbraw/zinc/53/73/06/726537306.db2.gz ONUMQTIBJYRPNP-HOCLYGCPSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000999877527 726537307 /nfs/dbraw/zinc/53/73/07/726537307.db2.gz ONUMQTIBJYRPNP-HOCLYGCPSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]Cc3nnnn3C)C2)CC1 ZINC001000995766 726586487 /nfs/dbraw/zinc/58/64/87/726586487.db2.gz ZOMUNCZJSRTCDB-OAHLLOKOSA-N 2 1 345.451 -0.364 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nncn2C)C1 ZINC001026893728 730168591 /nfs/dbraw/zinc/16/85/91/730168591.db2.gz MEJVIFOTXKQOTM-GJZGRUSLSA-N 2 1 330.436 -0.149 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nncn2C)C1 ZINC001026893728 730168592 /nfs/dbraw/zinc/16/85/92/730168592.db2.gz MEJVIFOTXKQOTM-GJZGRUSLSA-N 2 1 330.436 -0.149 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCNC2=O)CC1 ZINC001028333047 730285379 /nfs/dbraw/zinc/28/53/79/730285379.db2.gz BWLOPUNBPGTYCM-CVEARBPZSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCNC2=O)CC1 ZINC001028333047 730285380 /nfs/dbraw/zinc/28/53/80/730285380.db2.gz BWLOPUNBPGTYCM-CVEARBPZSA-N 2 1 332.448 -0.199 20 30 EBEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001032130692 730816660 /nfs/dbraw/zinc/81/66/60/730816660.db2.gz ZPQHJCAVCWDZPG-OAHLLOKOSA-N 2 1 332.448 -0.083 20 30 EBEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)CC2)C1 ZINC001046056876 733835941 /nfs/dbraw/zinc/83/59/41/733835941.db2.gz VMKUILBNNJPKEF-ROUUACIJSA-N 2 1 348.491 -0.053 20 30 EBEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)C1 ZINC001046056876 733835944 /nfs/dbraw/zinc/83/59/44/733835944.db2.gz VMKUILBNNJPKEF-ROUUACIJSA-N 2 1 348.491 -0.053 20 30 EBEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)CC2)C1 ZINC001046056876 733835946 /nfs/dbraw/zinc/83/59/46/733835946.db2.gz VMKUILBNNJPKEF-ROUUACIJSA-N 2 1 348.491 -0.053 20 30 EBEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)CC2)C1 ZINC001046056876 733835949 /nfs/dbraw/zinc/83/59/49/733835949.db2.gz VMKUILBNNJPKEF-ROUUACIJSA-N 2 1 348.491 -0.053 20 30 EBEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)CC2)C1 ZINC001046083998 733856632 /nfs/dbraw/zinc/85/66/32/733856632.db2.gz GVMLLZUGLALKJW-ZWKOTPCHSA-N 2 1 348.491 -0.194 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@@H]3C2)CC1 ZINC001049234599 734695041 /nfs/dbraw/zinc/69/50/41/734695041.db2.gz GGVHHENHUYRJGT-BMFZPTHFSA-N 2 1 332.448 -0.404 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(N)=O)CC1 ZINC001049913576 734806662 /nfs/dbraw/zinc/80/66/62/734806662.db2.gz CTNXNFXQLJQGRR-HZPDHXFCSA-N 2 1 332.448 -0.118 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(N)=O)CC1 ZINC001049913576 734806663 /nfs/dbraw/zinc/80/66/63/734806663.db2.gz CTNXNFXQLJQGRR-HZPDHXFCSA-N 2 1 332.448 -0.118 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001054296209 736187572 /nfs/dbraw/zinc/18/75/72/736187572.db2.gz YMFCRSHMBFADKA-PMPSAXMXSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001054296209 736187573 /nfs/dbraw/zinc/18/75/73/736187573.db2.gz YMFCRSHMBFADKA-PMPSAXMXSA-N 2 1 332.448 -0.105 20 30 EBEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070295308 740779845 /nfs/dbraw/zinc/77/98/45/740779845.db2.gz YXCMVDJCNHLUHC-CVEARBPZSA-N 2 1 348.451 -0.082 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@H](CC)C(N)=O)C2 ZINC001072822884 741494742 /nfs/dbraw/zinc/49/47/42/741494742.db2.gz WFLJQDSJQSOQED-CABCVRRESA-N 2 1 332.448 -0.118 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H](CC)C(N)=O)C2 ZINC001072822884 741494743 /nfs/dbraw/zinc/49/47/43/741494743.db2.gz WFLJQDSJQSOQED-CABCVRRESA-N 2 1 332.448 -0.118 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@H](CC)C(N)=O)C2 ZINC001072822884 741494744 /nfs/dbraw/zinc/49/47/44/741494744.db2.gz WFLJQDSJQSOQED-CABCVRRESA-N 2 1 332.448 -0.118 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@H](CC)C(N)=O)C2 ZINC001072822884 741494746 /nfs/dbraw/zinc/49/47/46/741494746.db2.gz WFLJQDSJQSOQED-CABCVRRESA-N 2 1 332.448 -0.118 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001078227166 743545993 /nfs/dbraw/zinc/54/59/93/743545993.db2.gz LXIYTNOWTDXTAI-USXIJHARSA-N 2 1 335.448 -0.471 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]32)CC1 ZINC000979086990 805128015 /nfs/dbraw/zinc/12/80/15/805128015.db2.gz JVIQCMQVQHDDQA-NXOAAHMSSA-N 2 1 346.475 -0.111 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC000983901217 807115683 /nfs/dbraw/zinc/11/56/83/807115683.db2.gz LJTJGPPSCGFKBA-DZKIICNBSA-N 2 1 330.436 -0.103 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC000983901217 807115690 /nfs/dbraw/zinc/11/56/90/807115690.db2.gz LJTJGPPSCGFKBA-DZKIICNBSA-N 2 1 330.436 -0.103 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)c2nnnn2C)C1 ZINC000983900755 807116089 /nfs/dbraw/zinc/11/60/89/807116089.db2.gz JIPUXQJEMZQFEY-TUVASFSCSA-N 2 1 345.451 -0.147 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)c2nnnn2C)C1 ZINC000983900755 807116093 /nfs/dbraw/zinc/11/60/93/807116093.db2.gz JIPUXQJEMZQFEY-TUVASFSCSA-N 2 1 345.451 -0.147 20 30 EBEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001214597829 810264951 /nfs/dbraw/zinc/26/49/51/810264951.db2.gz OUZMEBYBMAGCCH-RBSFLKMASA-N 2 1 335.452 -0.065 20 30 EBEDMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001215397068 810326412 /nfs/dbraw/zinc/32/64/12/810326412.db2.gz RDWCJMSCPLPVIJ-CBBWQLFWSA-N 2 1 335.452 -0.207 20 30 EBEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034101 810956388 /nfs/dbraw/zinc/95/63/88/810956388.db2.gz NTPBLUYKKGZTBB-PLQZLIEUSA-N 2 1 335.448 -0.023 20 30 EBEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034101 810956395 /nfs/dbraw/zinc/95/63/95/810956395.db2.gz NTPBLUYKKGZTBB-PLQZLIEUSA-N 2 1 335.448 -0.023 20 30 EBEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034101 810956400 /nfs/dbraw/zinc/95/64/00/810956400.db2.gz NTPBLUYKKGZTBB-PLQZLIEUSA-N 2 1 335.448 -0.023 20 30 EBEDMP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC#N)[C@H]2C1 ZINC001223837923 811733346 /nfs/dbraw/zinc/73/33/46/811733346.db2.gz CDKSQGBLNXLVTC-CABCVRRESA-N 2 1 335.452 -0.109 20 30 EBEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC#N)[C@H]2C1 ZINC001223837923 811733353 /nfs/dbraw/zinc/73/33/53/811733353.db2.gz CDKSQGBLNXLVTC-CABCVRRESA-N 2 1 335.452 -0.109 20 30 EBEDMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001223837923 811733358 /nfs/dbraw/zinc/73/33/58/811733358.db2.gz CDKSQGBLNXLVTC-CABCVRRESA-N 2 1 335.452 -0.109 20 30 EBEDMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001223837923 811733362 /nfs/dbraw/zinc/73/33/62/811733362.db2.gz CDKSQGBLNXLVTC-CABCVRRESA-N 2 1 335.452 -0.109 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001227408578 811921606 /nfs/dbraw/zinc/92/16/06/811921606.db2.gz NVUHHZMPEBTKQR-MRXNPFEDSA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001227454896 811923129 /nfs/dbraw/zinc/92/31/29/811923129.db2.gz XEOWVERRPRMVBN-JKSUJKDBSA-N 2 1 348.447 -0.820 20 30 EBEDMP C#CCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001227454896 811923131 /nfs/dbraw/zinc/92/31/31/811923131.db2.gz XEOWVERRPRMVBN-JKSUJKDBSA-N 2 1 348.447 -0.820 20 30 EBEDMP N#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001263927321 813135514 /nfs/dbraw/zinc/13/55/14/813135514.db2.gz BKDHSFLXLWGBIM-DAYGRLMNSA-N 2 1 347.463 -0.013 20 30 EBEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001264391400 813170289 /nfs/dbraw/zinc/17/02/89/813170289.db2.gz RYGXZJXNZMRPIZ-ZNMIVQPWSA-N 2 1 335.452 -0.017 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001264456226 813177503 /nfs/dbraw/zinc/17/75/03/813177503.db2.gz JPZXIFIYFKPOGO-ZNMIVQPWSA-N 2 1 338.452 -0.506 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001264456226 813177507 /nfs/dbraw/zinc/17/75/07/813177507.db2.gz JPZXIFIYFKPOGO-ZNMIVQPWSA-N 2 1 338.452 -0.506 20 30 EBEDMP C[N@@H+](CC(=O)NCC#N)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001264745421 813204816 /nfs/dbraw/zinc/20/48/16/813204816.db2.gz FGDAIVWLNXVGHJ-GJZGRUSLSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[N@H+](CC(=O)NCC#N)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001264745421 813204820 /nfs/dbraw/zinc/20/48/20/813204820.db2.gz FGDAIVWLNXVGHJ-GJZGRUSLSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[NH+](CC(=O)NCC#N)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001264745421 813204822 /nfs/dbraw/zinc/20/48/22/813204822.db2.gz FGDAIVWLNXVGHJ-GJZGRUSLSA-N 2 1 335.452 -0.109 20 30 EBEDMP C[NH+](CC(=O)NCC#N)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001264745421 813204826 /nfs/dbraw/zinc/20/48/26/813204826.db2.gz FGDAIVWLNXVGHJ-GJZGRUSLSA-N 2 1 335.452 -0.109 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001266599191 813618415 /nfs/dbraw/zinc/61/84/15/813618415.db2.gz AZZXGKMPDOOYPU-VGWMRTNUSA-N 2 1 330.432 -0.541 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001266599191 813618418 /nfs/dbraw/zinc/61/84/18/813618418.db2.gz AZZXGKMPDOOYPU-VGWMRTNUSA-N 2 1 330.432 -0.541 20 30 EBEDMP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)NCC#N)C2)CCC1 ZINC001266752956 813662321 /nfs/dbraw/zinc/66/23/21/813662321.db2.gz YKWUYFOJESOMSC-AWEZNQCLSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)NCC#N)C2)CCC1 ZINC001266752956 813662325 /nfs/dbraw/zinc/66/23/25/813662325.db2.gz YKWUYFOJESOMSC-AWEZNQCLSA-N 2 1 335.452 -0.061 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001266818197 813677535 /nfs/dbraw/zinc/67/75/35/813677535.db2.gz UNGUPMLHIYAJAL-CQSZACIVSA-N 2 1 331.420 -0.449 20 30 EBEDMP C[C@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266897282 813694180 /nfs/dbraw/zinc/69/41/80/813694180.db2.gz MFCJVLQOPKZZMV-LSDHHAIUSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[C@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266897282 813694185 /nfs/dbraw/zinc/69/41/85/813694185.db2.gz MFCJVLQOPKZZMV-LSDHHAIUSA-N 2 1 335.452 -0.061 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001267044490 813745361 /nfs/dbraw/zinc/74/53/61/813745361.db2.gz JDPJTNIAODCFMG-HOTGVXAUSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001267044490 813745366 /nfs/dbraw/zinc/74/53/66/813745366.db2.gz JDPJTNIAODCFMG-HOTGVXAUSA-N 2 1 332.448 -0.246 20 30 EBEDMP CC(C)[C@@H](CNC(=O)[C@@]12CC[N@@H+](C1)CCC2)[NH2+]CC(=O)NCC#N ZINC001268226240 814151942 /nfs/dbraw/zinc/15/19/42/814151942.db2.gz GDLRYAWAMMOBGP-PBHICJAKSA-N 2 1 335.452 -0.158 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001268307806 814183132 /nfs/dbraw/zinc/18/31/32/814183132.db2.gz IESDSZWUGJKOKD-CVEARBPZSA-N 2 1 346.431 -0.950 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001268307806 814183138 /nfs/dbraw/zinc/18/31/38/814183138.db2.gz IESDSZWUGJKOKD-CVEARBPZSA-N 2 1 346.431 -0.950 20 30 EBEDMP N#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001268555432 814291182 /nfs/dbraw/zinc/29/11/82/814291182.db2.gz ITCIABUXLOFWOX-PZGMIKLFSA-N 2 1 333.436 -0.095 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@](C)(NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001269646586 814755670 /nfs/dbraw/zinc/75/56/70/814755670.db2.gz YYPACDVWEYINQF-KSSFIOAISA-N 2 1 334.464 -0.048 20 30 EBEDMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001270254672 815734933 /nfs/dbraw/zinc/73/49/33/815734933.db2.gz YCUYYJVHLAGIRQ-SOUVJXGZSA-N 2 1 335.452 -0.063 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001086110178 816233874 /nfs/dbraw/zinc/23/38/74/816233874.db2.gz XAORQOZTPHFLCC-QXSJWSMHSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001086110178 816233882 /nfs/dbraw/zinc/23/38/82/816233882.db2.gz XAORQOZTPHFLCC-QXSJWSMHSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H](C)CN2CCOCC2)C1 ZINC001271996398 816286013 /nfs/dbraw/zinc/28/60/13/816286013.db2.gz LWGSDDLGOUILPL-AEFFLSMTSA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001271996398 816286017 /nfs/dbraw/zinc/28/60/17/816286017.db2.gz LWGSDDLGOUILPL-AEFFLSMTSA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1cnn(C)c1 ZINC001087002012 816441163 /nfs/dbraw/zinc/44/11/63/816441163.db2.gz AWUIITUJJBGOIH-DLBZAZTESA-N 2 1 345.447 -0.340 20 30 EBEDMP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001273576665 816700804 /nfs/dbraw/zinc/70/08/04/816700804.db2.gz TVARQMTWQSXQOJ-CQSZACIVSA-N 2 1 346.435 -0.168 20 30 EBEDMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C)([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001274374974 816942815 /nfs/dbraw/zinc/94/28/15/816942815.db2.gz GQALSNDNHJVKHG-AWEZNQCLSA-N 2 1 335.452 -0.061 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)[C@H]2CCC(=O)NC2=O)CC1 ZINC001275729739 817283899 /nfs/dbraw/zinc/28/38/99/817283899.db2.gz OQFLHSZJXSWFSI-ZFWWWQNUSA-N 2 1 348.447 -0.427 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)C[C@@H](O)COC)CC1 ZINC001276011135 817338176 /nfs/dbraw/zinc/33/81/76/817338176.db2.gz MADJNDGERNDWGI-GOEBONIOSA-N 2 1 325.453 -0.225 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001277537343 817596977 /nfs/dbraw/zinc/59/69/77/817596977.db2.gz AMFYKSSGSHCAJF-QGZVFWFLSA-N 2 1 345.447 -0.354 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001277537343 817596982 /nfs/dbraw/zinc/59/69/82/817596982.db2.gz AMFYKSSGSHCAJF-QGZVFWFLSA-N 2 1 345.447 -0.354 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001277873611 817649966 /nfs/dbraw/zinc/64/99/66/817649966.db2.gz HTFNTIXTUXONAD-CABCVRRESA-N 2 1 331.420 -0.696 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001277873611 817649972 /nfs/dbraw/zinc/64/99/72/817649972.db2.gz HTFNTIXTUXONAD-CABCVRRESA-N 2 1 331.420 -0.696 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001278820837 817849821 /nfs/dbraw/zinc/84/98/21/817849821.db2.gz GKJQEEWFLNYYEL-YOEHRIQHSA-N 2 1 338.452 -0.981 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@](O)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001278820837 817849827 /nfs/dbraw/zinc/84/98/27/817849827.db2.gz GKJQEEWFLNYYEL-YOEHRIQHSA-N 2 1 338.452 -0.981 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)CCC)C1 ZINC001278820837 817849835 /nfs/dbraw/zinc/84/98/35/817849835.db2.gz GKJQEEWFLNYYEL-YOEHRIQHSA-N 2 1 338.452 -0.981 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)CCC)C1 ZINC001278820837 817849843 /nfs/dbraw/zinc/84/98/43/817849843.db2.gz GKJQEEWFLNYYEL-YOEHRIQHSA-N 2 1 338.452 -0.981 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(C)C)C[C@@H]2C1 ZINC001279370748 817921098 /nfs/dbraw/zinc/92/10/98/817921098.db2.gz JIAFTQKOZCMOKS-BBWFWOEESA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC(C)C)C[C@@H]2C1 ZINC001279370748 817921103 /nfs/dbraw/zinc/92/11/03/817921103.db2.gz JIAFTQKOZCMOKS-BBWFWOEESA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC(C)C)C[C@@H]2C1 ZINC001279370748 817921109 /nfs/dbraw/zinc/92/11/09/817921109.db2.gz JIAFTQKOZCMOKS-BBWFWOEESA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC(C)C)C[C@@H]2C1 ZINC001279370748 817921114 /nfs/dbraw/zinc/92/11/14/817921114.db2.gz JIAFTQKOZCMOKS-BBWFWOEESA-N 2 1 346.475 -0.001 20 30 EBEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001279415759 817926843 /nfs/dbraw/zinc/92/68/43/817926843.db2.gz DJLYJNTVIWYGKR-XHSDSOJGSA-N 2 1 347.463 -0.109 20 30 EBEDMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001279415759 817926849 /nfs/dbraw/zinc/92/68/49/817926849.db2.gz DJLYJNTVIWYGKR-XHSDSOJGSA-N 2 1 347.463 -0.109 20 30 EBEDMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001279415759 817926851 /nfs/dbraw/zinc/92/68/51/817926851.db2.gz DJLYJNTVIWYGKR-XHSDSOJGSA-N 2 1 347.463 -0.109 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001282958563 818548647 /nfs/dbraw/zinc/54/86/47/818548647.db2.gz PHGCNCGWXPRDPK-HRCADAONSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001282958569 818549116 /nfs/dbraw/zinc/54/91/16/818549116.db2.gz PHGCNCGWXPRDPK-XHSDSOJGSA-N 2 1 334.464 -0.096 20 30 EBEDMP COCC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001284501895 819258314 /nfs/dbraw/zinc/25/83/14/819258314.db2.gz KFABEAFEDIMZSP-HZPDHXFCSA-N 2 1 325.453 -0.128 20 30 EBEDMP COCC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001284501895 819258322 /nfs/dbraw/zinc/25/83/22/819258322.db2.gz KFABEAFEDIMZSP-HZPDHXFCSA-N 2 1 325.453 -0.128 20 30 EBEDMP COCC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001284501895 819258332 /nfs/dbraw/zinc/25/83/32/819258332.db2.gz KFABEAFEDIMZSP-HZPDHXFCSA-N 2 1 325.453 -0.128 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099529727 819477492 /nfs/dbraw/zinc/47/74/92/819477492.db2.gz VJFUWXBACZAAPP-HZMVEIRTSA-N 2 1 346.475 -0.144 20 30 EBEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076300 820170426 /nfs/dbraw/zinc/17/04/26/820170426.db2.gz JDUUCQWYHGKPHF-LSDHHAIUSA-N 2 1 329.441 -0.681 20 30 EBEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001101037158 820660862 /nfs/dbraw/zinc/66/08/62/820660862.db2.gz BKBKGGGDVSADCB-YMAMQOFZSA-N 2 1 335.452 -0.015 20 30 EBEDMP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101341798 820759812 /nfs/dbraw/zinc/75/98/12/820759812.db2.gz QCMVDTBLXKESAU-PBHICJAKSA-N 2 1 335.452 -0.252 20 30 EBEDMP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101341798 820759820 /nfs/dbraw/zinc/75/98/20/820759820.db2.gz QCMVDTBLXKESAU-PBHICJAKSA-N 2 1 335.452 -0.252 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101430142 820789085 /nfs/dbraw/zinc/78/90/85/820789085.db2.gz QUVYVTHQWGBAHV-MDZRGWNJSA-N 2 1 346.475 -0.142 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101430142 820789089 /nfs/dbraw/zinc/78/90/89/820789089.db2.gz QUVYVTHQWGBAHV-MDZRGWNJSA-N 2 1 346.475 -0.142 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101430142 820789096 /nfs/dbraw/zinc/78/90/96/820789096.db2.gz QUVYVTHQWGBAHV-MDZRGWNJSA-N 2 1 346.475 -0.142 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366735 821079966 /nfs/dbraw/zinc/07/99/66/821079966.db2.gz OQIFNXYSUFCKGT-OWCLPIDISA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366735 821079976 /nfs/dbraw/zinc/07/99/76/821079976.db2.gz OQIFNXYSUFCKGT-OWCLPIDISA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366735 821079987 /nfs/dbraw/zinc/07/99/87/821079987.db2.gz OQIFNXYSUFCKGT-OWCLPIDISA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103719180 821345223 /nfs/dbraw/zinc/34/52/23/821345223.db2.gz UAQMZCCCXGKAQP-BZUAXINKSA-N 2 1 334.464 -0.238 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001103719180 821345232 /nfs/dbraw/zinc/34/52/32/821345232.db2.gz UAQMZCCCXGKAQP-BZUAXINKSA-N 2 1 334.464 -0.238 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103719180 821345240 /nfs/dbraw/zinc/34/52/40/821345240.db2.gz UAQMZCCCXGKAQP-BZUAXINKSA-N 2 1 334.464 -0.238 20 30 EBEDMP C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001105202847 821618328 /nfs/dbraw/zinc/61/83/28/821618328.db2.gz WIHQIPKNLQWOIT-OAHLLOKOSA-N 2 1 334.424 -0.342 20 30 EBEDMP C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001105202847 821618333 /nfs/dbraw/zinc/61/83/33/821618333.db2.gz WIHQIPKNLQWOIT-OAHLLOKOSA-N 2 1 334.424 -0.342 20 30 EBEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001105326906 821694516 /nfs/dbraw/zinc/69/45/16/821694516.db2.gz LHNVVBHEKKGDEW-CZUORRHYSA-N 2 1 330.436 -0.028 20 30 EBEDMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(=O)NCC#N)CC2 ZINC001317003325 821972354 /nfs/dbraw/zinc/97/23/54/821972354.db2.gz TUEHZUDRNVONAU-ZIAGYGMSSA-N 2 1 333.436 -0.309 20 30 EBEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(=O)NCC#N)CC2 ZINC001317003325 821972359 /nfs/dbraw/zinc/97/23/59/821972359.db2.gz TUEHZUDRNVONAU-ZIAGYGMSSA-N 2 1 333.436 -0.309 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001317018428 821975683 /nfs/dbraw/zinc/97/56/83/821975683.db2.gz GAYJMFBDLUNYTE-HIFRSBDPSA-N 2 1 331.420 -0.186 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001317120980 822008603 /nfs/dbraw/zinc/00/86/03/822008603.db2.gz HFVDGBYIJAXJSZ-SOUVJXGZSA-N 2 1 338.452 -0.364 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001317323164 822083068 /nfs/dbraw/zinc/08/30/68/822083068.db2.gz SYFDAOUTXGZUER-HRCADAONSA-N 2 1 334.464 -0.096 20 30 EBEDMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106255316 822237436 /nfs/dbraw/zinc/23/74/36/822237436.db2.gz LUWKWBFHRPBYSX-ZIAGYGMSSA-N 2 1 335.452 -0.205 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c[nH+]cc1C)C2 ZINC001108725456 824426285 /nfs/dbraw/zinc/42/62/85/824426285.db2.gz ATLCTRSXFACPNY-JYJNAYRXSA-N 2 1 343.431 -0.090 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c[nH+]cc1C)C2 ZINC001108725457 824426490 /nfs/dbraw/zinc/42/64/90/824426490.db2.gz ATLCTRSXFACPNY-XHSDSOJGSA-N 2 1 343.431 -0.090 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1cc(C)nn1C ZINC001129790844 828670105 /nfs/dbraw/zinc/67/01/05/828670105.db2.gz KHHIVJLSAMGDGN-AWEZNQCLSA-N 2 1 346.435 -0.530 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1cc(C)nn1C ZINC001129790844 828670108 /nfs/dbraw/zinc/67/01/08/828670108.db2.gz KHHIVJLSAMGDGN-AWEZNQCLSA-N 2 1 346.435 -0.530 20 30 EBEDMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC#N)C2)[NH+](C)C ZINC001111789564 825317246 /nfs/dbraw/zinc/31/72/46/825317246.db2.gz YGVYSEDLDZEWIA-VBQJREDUSA-N 2 1 335.452 -0.063 20 30 EBEDMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC#N)C2)[NH+](C)C ZINC001111789564 825317252 /nfs/dbraw/zinc/31/72/52/825317252.db2.gz YGVYSEDLDZEWIA-VBQJREDUSA-N 2 1 335.452 -0.063 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC001114041447 826121037 /nfs/dbraw/zinc/12/10/37/826121037.db2.gz LELCLZRZLAHAPC-SFDCQRBFSA-N 2 1 349.435 -0.861 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001114041447 826121042 /nfs/dbraw/zinc/12/10/42/826121042.db2.gz LELCLZRZLAHAPC-SFDCQRBFSA-N 2 1 349.435 -0.861 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001114041447 826121050 /nfs/dbraw/zinc/12/10/50/826121050.db2.gz LELCLZRZLAHAPC-SFDCQRBFSA-N 2 1 349.435 -0.861 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001114041447 826121057 /nfs/dbraw/zinc/12/10/57/826121057.db2.gz LELCLZRZLAHAPC-SFDCQRBFSA-N 2 1 349.435 -0.861 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001114662332 826314256 /nfs/dbraw/zinc/31/42/56/826314256.db2.gz IAYZROBTBGLXJW-FOLVSLTJSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001114662332 826314265 /nfs/dbraw/zinc/31/42/65/826314265.db2.gz IAYZROBTBGLXJW-FOLVSLTJSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001114828848 826350166 /nfs/dbraw/zinc/35/01/66/826350166.db2.gz LIEZDYLPPCMCCU-DLTWYDFYSA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001114828848 826350174 /nfs/dbraw/zinc/35/01/74/826350174.db2.gz LIEZDYLPPCMCCU-DLTWYDFYSA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115144266 826432985 /nfs/dbraw/zinc/43/29/85/826432985.db2.gz UKCCFYUXZWVDQS-LJIGWXMPSA-N 2 1 334.464 -0.097 20 30 EBEDMP N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001115289954 826495586 /nfs/dbraw/zinc/49/55/86/826495586.db2.gz KWWYHJRFEWIWIA-HALDLXJZSA-N 2 1 333.436 -0.451 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001115289954 826495589 /nfs/dbraw/zinc/49/55/89/826495589.db2.gz KWWYHJRFEWIWIA-HALDLXJZSA-N 2 1 333.436 -0.451 20 30 EBEDMP N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001183256442 833285062 /nfs/dbraw/zinc/28/50/62/833285062.db2.gz WSUIODIILCIMMC-CHWSQXEVSA-N 2 1 330.392 -0.409 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001183254834 833285110 /nfs/dbraw/zinc/28/51/10/833285110.db2.gz HFXDYKDXUIOXJL-ZIAGYGMSSA-N 2 1 329.404 -0.300 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NCC=C)C1 ZINC001183361375 833288095 /nfs/dbraw/zinc/28/80/95/833288095.db2.gz RVECZYGBOIVATI-OAGGEKHMSA-N 2 1 332.448 -0.035 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NCC=C)C1 ZINC001183361375 833288096 /nfs/dbraw/zinc/28/80/96/833288096.db2.gz RVECZYGBOIVATI-OAGGEKHMSA-N 2 1 332.448 -0.035 20 30 EBEDMP N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356453 828283043 /nfs/dbraw/zinc/28/30/43/828283043.db2.gz CXNWSOFEGSYAMN-AWEZNQCLSA-N 2 1 335.452 -0.013 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001131423854 829138160 /nfs/dbraw/zinc/13/81/60/829138160.db2.gz AKIWFUKHXJQBFX-ZDUSSCGKSA-N 2 1 331.420 -0.394 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](C[NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC001185689164 833367100 /nfs/dbraw/zinc/36/71/00/833367100.db2.gz AJAUMWMYRULIJV-DZGCQCFKSA-N 2 1 346.435 -0.095 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001211176679 837404573 /nfs/dbraw/zinc/40/45/73/837404573.db2.gz NAXZIIRAAHMZPN-HUUCEWRRSA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001211176679 837404578 /nfs/dbraw/zinc/40/45/78/837404578.db2.gz NAXZIIRAAHMZPN-HUUCEWRRSA-N 2 1 336.436 -0.963 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146711790 830222651 /nfs/dbraw/zinc/22/26/51/830222651.db2.gz XRYLFUYREHEEOF-LBPRGKRZSA-N 2 1 327.429 -0.566 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001147846688 830420067 /nfs/dbraw/zinc/42/00/67/830420067.db2.gz JZSWEPNFCPVDPY-UHFFFAOYSA-N 2 1 345.447 -0.211 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001147846688 830420069 /nfs/dbraw/zinc/42/00/69/830420069.db2.gz JZSWEPNFCPVDPY-UHFFFAOYSA-N 2 1 345.447 -0.211 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001148160488 830449165 /nfs/dbraw/zinc/44/91/65/830449165.db2.gz IXQZRESZFOTVHR-UHFFFAOYSA-N 2 1 332.448 -0.388 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001148160488 830449170 /nfs/dbraw/zinc/44/91/70/830449170.db2.gz IXQZRESZFOTVHR-UHFFFAOYSA-N 2 1 332.448 -0.388 20 30 EBEDMP C[NH+](C)CC1(C(=O)N2CC3(C2)CC[N@H+](CC(=O)NCC#N)C3)CC1 ZINC001148153445 830449377 /nfs/dbraw/zinc/44/93/77/830449377.db2.gz NDJCLLLMEYZAAX-UHFFFAOYSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[NH+](C)CC1(C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NCC#N)C3)CC1 ZINC001148153445 830449384 /nfs/dbraw/zinc/44/93/84/830449384.db2.gz NDJCLLLMEYZAAX-UHFFFAOYSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[C@H]1CC[N@H+](CC(=O)N2CC3(C2)CC[NH+](CC(=O)NCC#N)C3)C1 ZINC001148292256 830464753 /nfs/dbraw/zinc/46/47/53/830464753.db2.gz HLRHWXHVAPMGGB-AWEZNQCLSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[C@H]1CC[N@@H+](CC(=O)N2CC3(C2)CC[NH+](CC(=O)NCC#N)C3)C1 ZINC001148292256 830464756 /nfs/dbraw/zinc/46/47/56/830464756.db2.gz HLRHWXHVAPMGGB-AWEZNQCLSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[C@H]1CC[NH+](CC(=O)N2CC3(C2)CC[N@H+](CC(=O)NCC#N)C3)C1 ZINC001148292256 830464761 /nfs/dbraw/zinc/46/47/61/830464761.db2.gz HLRHWXHVAPMGGB-AWEZNQCLSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[C@H]1CC[NH+](CC(=O)N2CC3(C2)CC[N@@H+](CC(=O)NCC#N)C3)C1 ZINC001148292256 830464764 /nfs/dbraw/zinc/46/47/64/830464764.db2.gz HLRHWXHVAPMGGB-AWEZNQCLSA-N 2 1 333.436 -0.498 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001148298377 830466450 /nfs/dbraw/zinc/46/64/50/830466450.db2.gz OLNOBANNRDKOKD-GJZGRUSLSA-N 2 1 334.464 -0.001 20 30 EBEDMP COCC#CC[N@@H+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001148445817 830490045 /nfs/dbraw/zinc/49/00/45/830490045.db2.gz VYEDYBOFSSJORS-UHFFFAOYSA-N 2 1 335.448 -0.107 20 30 EBEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001148445817 830490050 /nfs/dbraw/zinc/49/00/50/830490050.db2.gz VYEDYBOFSSJORS-UHFFFAOYSA-N 2 1 335.448 -0.107 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](C[C@H](O)COC)C3)CC1 ZINC001148827882 830544170 /nfs/dbraw/zinc/54/41/70/830544170.db2.gz PXCJPBLQNATQII-KRWDZBQOSA-N 2 1 349.475 -0.127 20 30 EBEDMP C=CCOCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001149439949 830666133 /nfs/dbraw/zinc/66/61/33/830666133.db2.gz RLTPXFKZWUNUHF-CVEARBPZSA-N 2 1 341.452 -0.273 20 30 EBEDMP C=CCOCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001149439949 830666137 /nfs/dbraw/zinc/66/61/37/830666137.db2.gz RLTPXFKZWUNUHF-CVEARBPZSA-N 2 1 341.452 -0.273 20 30 EBEDMP C=CCOCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001149439949 830666139 /nfs/dbraw/zinc/66/61/39/830666139.db2.gz RLTPXFKZWUNUHF-CVEARBPZSA-N 2 1 341.452 -0.273 20 30 EBEDMP C=CCOCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001149439949 830666142 /nfs/dbraw/zinc/66/61/42/830666142.db2.gz RLTPXFKZWUNUHF-CVEARBPZSA-N 2 1 341.452 -0.273 20 30 EBEDMP C=CCOCC[N@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150589498 830940273 /nfs/dbraw/zinc/94/02/73/830940273.db2.gz URHQLUYPNDYTIE-INIZCTEOSA-N 2 1 343.468 -0.026 20 30 EBEDMP COCC#CC[N@@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150589720 830940338 /nfs/dbraw/zinc/94/03/38/830940338.db2.gz VSDXPKNVWFIRAA-MRXNPFEDSA-N 2 1 341.452 -0.579 20 30 EBEDMP COCC#CC[N@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150589720 830940340 /nfs/dbraw/zinc/94/03/40/830940340.db2.gz VSDXPKNVWFIRAA-MRXNPFEDSA-N 2 1 341.452 -0.579 20 30 EBEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001151739903 831106934 /nfs/dbraw/zinc/10/69/34/831106934.db2.gz OZOBNTUJZKPRJC-HNNXBMFYSA-N 2 1 338.452 -0.387 20 30 EBEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001151739903 831106935 /nfs/dbraw/zinc/10/69/35/831106935.db2.gz OZOBNTUJZKPRJC-HNNXBMFYSA-N 2 1 338.452 -0.387 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001160209534 831824530 /nfs/dbraw/zinc/82/45/30/831824530.db2.gz PGFMBOVEXUBJDQ-GJZGRUSLSA-N 2 1 343.493 -0.139 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001160209534 831824537 /nfs/dbraw/zinc/82/45/37/831824537.db2.gz PGFMBOVEXUBJDQ-GJZGRUSLSA-N 2 1 343.493 -0.139 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001160197916 831825159 /nfs/dbraw/zinc/82/51/59/831825159.db2.gz NRPVSCYEUZCHTM-HNNXBMFYSA-N 2 1 336.436 -0.961 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001160197916 831825166 /nfs/dbraw/zinc/82/51/66/831825166.db2.gz NRPVSCYEUZCHTM-HNNXBMFYSA-N 2 1 336.436 -0.961 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872166 832068480 /nfs/dbraw/zinc/06/84/80/832068480.db2.gz IOBMTXTXBCCBQC-YOFIQYCBSA-N 2 1 348.447 -0.917 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001165545966 832226490 /nfs/dbraw/zinc/22/64/90/832226490.db2.gz UUKJNJOMVVUWQT-GJZGRUSLSA-N 2 1 332.448 -0.151 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001165545966 832226494 /nfs/dbraw/zinc/22/64/94/832226494.db2.gz UUKJNJOMVVUWQT-GJZGRUSLSA-N 2 1 332.448 -0.151 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001168153047 832398996 /nfs/dbraw/zinc/39/89/96/832398996.db2.gz HZRUXIMGQLLLOG-UHFFFAOYSA-N 2 1 331.420 -0.183 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001178106258 832827016 /nfs/dbraw/zinc/82/70/16/832827016.db2.gz BIKMGUXTLQGEPA-HNNXBMFYSA-N 2 1 338.452 -0.667 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001178106258 832827026 /nfs/dbraw/zinc/82/70/26/832827026.db2.gz BIKMGUXTLQGEPA-HNNXBMFYSA-N 2 1 338.452 -0.667 20 30 EBEDMP C[N@@H+]1CCO[C@@H](C(=O)NCCCCCC[NH2+]CC(=O)NCC#N)C1 ZINC001178107259 832827832 /nfs/dbraw/zinc/82/78/32/832827832.db2.gz NUIZAKJTDIRZIV-CQSZACIVSA-N 2 1 339.440 -0.777 20 30 EBEDMP C[N@H+]1CCO[C@@H](C(=O)NCCCCCC[NH2+]CC(=O)NCC#N)C1 ZINC001178107259 832827844 /nfs/dbraw/zinc/82/78/44/832827844.db2.gz NUIZAKJTDIRZIV-CQSZACIVSA-N 2 1 339.440 -0.777 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802088 834193602 /nfs/dbraw/zinc/19/36/02/834193602.db2.gz RTOZWPOCKWCXLQ-LSDHHAIUSA-N 2 1 330.432 -0.636 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802088 834193606 /nfs/dbraw/zinc/19/36/06/834193606.db2.gz RTOZWPOCKWCXLQ-LSDHHAIUSA-N 2 1 330.432 -0.636 20 30 EBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190435516 834268168 /nfs/dbraw/zinc/26/81/68/834268168.db2.gz FYQDKELXRWGPQX-CABCVRRESA-N 2 1 340.443 -0.052 20 30 EBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190435516 834268175 /nfs/dbraw/zinc/26/81/75/834268175.db2.gz FYQDKELXRWGPQX-CABCVRRESA-N 2 1 340.443 -0.052 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NCC#N)C2)CC1 ZINC001194247658 835059275 /nfs/dbraw/zinc/05/92/75/835059275.db2.gz ZADUNJUYQOBOFW-MRXNPFEDSA-N 2 1 345.447 -0.496 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C2)CC1 ZINC001194247658 835059283 /nfs/dbraw/zinc/05/92/83/835059283.db2.gz ZADUNJUYQOBOFW-MRXNPFEDSA-N 2 1 345.447 -0.496 20 30 EBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200116070 835910523 /nfs/dbraw/zinc/91/05/23/835910523.db2.gz SLCYSPCXISNBID-HUUCEWRRSA-N 2 1 338.452 -0.410 20 30 EBEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200183434 835926130 /nfs/dbraw/zinc/92/61/30/835926130.db2.gz XONLLDUFGCOULS-HZPDHXFCSA-N 2 1 339.436 -0.826 20 30 EBEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200183434 835926136 /nfs/dbraw/zinc/92/61/36/835926136.db2.gz XONLLDUFGCOULS-HZPDHXFCSA-N 2 1 339.436 -0.826 20 30 EBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CCCO1 ZINC001201034844 836083339 /nfs/dbraw/zinc/08/33/39/836083339.db2.gz YEXIZNGEYDLTSN-LPMVOBIJSA-N 2 1 333.432 -0.310 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001201093723 836093361 /nfs/dbraw/zinc/09/33/61/836093361.db2.gz HTXIHBHKWOOVIQ-JSGCOSHPSA-N 2 1 349.435 -0.752 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001201093723 836093368 /nfs/dbraw/zinc/09/33/68/836093368.db2.gz HTXIHBHKWOOVIQ-JSGCOSHPSA-N 2 1 349.435 -0.752 20 30 EBEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1 ZINC001205526302 836575166 /nfs/dbraw/zinc/57/51/66/836575166.db2.gz OJHFWPMKZJRZHC-HNNXBMFYSA-N 2 1 335.452 -0.061 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1 ZINC001206930092 836715444 /nfs/dbraw/zinc/71/54/44/836715444.db2.gz RSSPBRKBVRPQIH-UHFFFAOYSA-N 2 1 332.408 -0.341 20 30 EBEDMP N#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001208333999 836999206 /nfs/dbraw/zinc/99/92/06/836999206.db2.gz CKAZJDWFEMZJKG-KGLIPLIRSA-N 2 1 344.419 -0.019 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001208352489 837002676 /nfs/dbraw/zinc/00/26/76/837002676.db2.gz GUMNGYWEMUVQJV-HOTGVXAUSA-N 2 1 330.432 -0.586 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001208352489 837002692 /nfs/dbraw/zinc/00/26/92/837002692.db2.gz GUMNGYWEMUVQJV-HOTGVXAUSA-N 2 1 330.432 -0.586 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001325466818 839871158 /nfs/dbraw/zinc/87/11/58/839871158.db2.gz OMFOLHUFFMCTHQ-TZMCWYRMSA-N 2 1 332.408 -0.342 20 30 EBEDMP COCC#CC[NH2+]CC1(O)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001328199388 840618437 /nfs/dbraw/zinc/61/84/37/840618437.db2.gz WHJLNLVTBANMGE-INIZCTEOSA-N 2 1 337.464 -0.079 20 30 EBEDMP COCC#CC[NH2+]CC1(O)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001328199390 840618816 /nfs/dbraw/zinc/61/88/16/840618816.db2.gz WHJLNLVTBANMGE-MRXNPFEDSA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001330328869 841166897 /nfs/dbraw/zinc/16/68/97/841166897.db2.gz PUTMTDAADJGMQH-YHUYYLMFSA-N 2 1 334.464 -0.240 20 30 EBEDMP COCC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001331802907 841503790 /nfs/dbraw/zinc/50/37/90/841503790.db2.gz FLEHVZNUMBXVSR-HOTGVXAUSA-N 2 1 325.453 -0.034 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]C[C@H](O)COC)C(C)(C)C1 ZINC001332389119 841632460 /nfs/dbraw/zinc/63/24/60/841632460.db2.gz WEAXVUBZRSMBKN-JYJNAYRXSA-N 2 1 337.464 -0.082 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]C[C@H](O)COC)C(C)(C)C1 ZINC001332389119 841632463 /nfs/dbraw/zinc/63/24/63/841632463.db2.gz WEAXVUBZRSMBKN-JYJNAYRXSA-N 2 1 337.464 -0.082 20 30 EBEDMP C#CC[N@@H+](C[C@@H]1CNC(=O)C1)C1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC001333066706 841788421 /nfs/dbraw/zinc/78/84/21/841788421.db2.gz MCVXEKUHSVUJPP-CABCVRRESA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CC[N@H+](C[C@@H]1CNC(=O)C1)C1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC001333066706 841788425 /nfs/dbraw/zinc/78/84/25/841788425.db2.gz MCVXEKUHSVUJPP-CABCVRRESA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CCNC(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001333341347 841854400 /nfs/dbraw/zinc/85/44/00/841854400.db2.gz BYKUWKKSPJXBOT-QGZVFWFLSA-N 2 1 344.459 -0.174 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001333341347 841854406 /nfs/dbraw/zinc/85/44/06/841854406.db2.gz BYKUWKKSPJXBOT-QGZVFWFLSA-N 2 1 344.459 -0.174 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)CC1 ZINC001691171228 1125840682 /nfs/dbraw/zinc/84/06/82/1125840682.db2.gz PPXCGXWLTNHNSE-OAHLLOKOSA-N 2 1 345.447 -0.591 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CC(=O)NCC#N)C2)CC1 ZINC001691171228 1125840683 /nfs/dbraw/zinc/84/06/83/1125840683.db2.gz PPXCGXWLTNHNSE-OAHLLOKOSA-N 2 1 345.447 -0.591 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)[C@H]2CCC(=O)NC2=O)CC1 ZINC001480951283 1125891642 /nfs/dbraw/zinc/89/16/42/1125891642.db2.gz VOLLVAKLIGKLCG-AWEZNQCLSA-N 2 1 334.420 -0.815 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)[C@H]2CCC(=O)NC2=O)CC1 ZINC001480951283 1125891644 /nfs/dbraw/zinc/89/16/44/1125891644.db2.gz VOLLVAKLIGKLCG-AWEZNQCLSA-N 2 1 334.420 -0.815 20 30 EBEDMP COCC#CCN1CC[NH+](CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001481474084 1125999431 /nfs/dbraw/zinc/99/94/31/1125999431.db2.gz LYISRIBNXVXOQY-KRWDZBQOSA-N 2 1 336.480 -0.336 20 30 EBEDMP COCC#CCN1CC[NH+](CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001481474084 1125999433 /nfs/dbraw/zinc/99/94/33/1125999433.db2.gz LYISRIBNXVXOQY-KRWDZBQOSA-N 2 1 336.480 -0.336 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482365735 1126139307 /nfs/dbraw/zinc/13/93/07/1126139307.db2.gz XQJWTOHLFMTDCK-CHWSQXEVSA-N 2 1 339.440 -0.614 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)[C@@H]2CCC(=O)NC2=O)CC1 ZINC001482649387 1126244883 /nfs/dbraw/zinc/24/48/83/1126244883.db2.gz DBKUEORHIYOICT-OAHLLOKOSA-N 2 1 348.447 -0.473 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)[C@@H]2CCC(=O)NC2=O)CC1 ZINC001482649387 1126244885 /nfs/dbraw/zinc/24/48/85/1126244885.db2.gz DBKUEORHIYOICT-OAHLLOKOSA-N 2 1 348.447 -0.473 20 30 EBEDMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001482797237 1126294021 /nfs/dbraw/zinc/29/40/21/1126294021.db2.gz MLPCGAPIDFNCPW-SJORKVTESA-N 2 1 346.431 -0.154 20 30 EBEDMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001482797237 1126294023 /nfs/dbraw/zinc/29/40/23/1126294023.db2.gz MLPCGAPIDFNCPW-SJORKVTESA-N 2 1 346.431 -0.154 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001483116420 1126334621 /nfs/dbraw/zinc/33/46/21/1126334621.db2.gz IOUZGMNZBPSHRC-NEPJUHHUSA-N 2 1 325.413 -0.813 20 30 EBEDMP C=CCN1CC[C@H]([NH2+]C2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1=O ZINC001483724729 1126464326 /nfs/dbraw/zinc/46/43/26/1126464326.db2.gz RLIGPQWHGUITAY-KBPBESRZSA-N 2 1 336.436 -0.658 20 30 EBEDMP C=CCN1CC[C@H]([NH2+]C2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1=O ZINC001483724729 1126464327 /nfs/dbraw/zinc/46/43/27/1126464327.db2.gz RLIGPQWHGUITAY-KBPBESRZSA-N 2 1 336.436 -0.658 20 30 EBEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C1CCCC1 ZINC001483997806 1126496298 /nfs/dbraw/zinc/49/62/98/1126496298.db2.gz YRCRESFBOXXHHQ-LSDHHAIUSA-N 2 1 335.452 -0.015 20 30 EBEDMP C=CCN1CC[C@H]([N@H+]2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001484238573 1126536509 /nfs/dbraw/zinc/53/65/09/1126536509.db2.gz JGVPMQNWGTXNKQ-YOEHRIQHSA-N 2 1 338.452 -0.722 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001484409161 1126570063 /nfs/dbraw/zinc/57/00/63/1126570063.db2.gz KGCUQQNUAHLLFK-OAGGEKHMSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CC[N@H+]1CCC[C@](CO)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001484448252 1126585759 /nfs/dbraw/zinc/58/57/59/1126585759.db2.gz VDOLBHQAOXJLFA-KRWDZBQOSA-N 2 1 333.436 -0.365 20 30 EBEDMP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001484448252 1126585760 /nfs/dbraw/zinc/58/57/60/1126585760.db2.gz VDOLBHQAOXJLFA-KRWDZBQOSA-N 2 1 333.436 -0.365 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001484680657 1126616506 /nfs/dbraw/zinc/61/65/06/1126616506.db2.gz OSRCFXSCZBJMEO-CVEARBPZSA-N 2 1 348.447 -0.867 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001484680657 1126616507 /nfs/dbraw/zinc/61/65/07/1126616507.db2.gz OSRCFXSCZBJMEO-CVEARBPZSA-N 2 1 348.447 -0.867 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001485093187 1126674288 /nfs/dbraw/zinc/67/42/88/1126674288.db2.gz DGJMHCUSEDJOKG-GPANFISMSA-N 2 1 330.432 -0.682 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001485093187 1126674289 /nfs/dbraw/zinc/67/42/89/1126674289.db2.gz DGJMHCUSEDJOKG-GPANFISMSA-N 2 1 330.432 -0.682 20 30 EBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001485387735 1126698452 /nfs/dbraw/zinc/69/84/52/1126698452.db2.gz IAIYZDDHXUBVJX-HNNXBMFYSA-N 2 1 332.448 -0.483 20 30 EBEDMP C#CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001485387735 1126698453 /nfs/dbraw/zinc/69/84/53/1126698453.db2.gz IAIYZDDHXUBVJX-HNNXBMFYSA-N 2 1 332.448 -0.483 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001485629497 1126772630 /nfs/dbraw/zinc/77/26/30/1126772630.db2.gz SIGXNLMBBXITMZ-OSYLJGHBSA-N 2 1 346.475 -0.094 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CC(=O)NC)C[C@@]3(C)C2)CC1 ZINC001092300346 1128222819 /nfs/dbraw/zinc/22/28/19/1128222819.db2.gz VSIFZXIGPQTNOP-APWZRJJASA-N 2 1 346.475 -0.142 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001490911726 1130242765 /nfs/dbraw/zinc/24/27/65/1130242765.db2.gz QSRVQEXWHWUNAQ-JOCQHMNTSA-N 2 1 348.407 -0.560 20 30 EBEDMP C[N@H+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)NCC#N)C1 ZINC001490976842 1130275956 /nfs/dbraw/zinc/27/59/56/1130275956.db2.gz KAGBRAIZPJJYHU-FFHGMXDLSA-N 2 1 333.436 -0.311 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NCC#N)C1 ZINC001490976842 1130275957 /nfs/dbraw/zinc/27/59/57/1130275957.db2.gz KAGBRAIZPJJYHU-FFHGMXDLSA-N 2 1 333.436 -0.311 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NCC#N)C1 ZINC001490976842 1130275959 /nfs/dbraw/zinc/27/59/59/1130275959.db2.gz KAGBRAIZPJJYHU-FFHGMXDLSA-N 2 1 333.436 -0.311 20 30 EBEDMP CN(C[C@H](O)C[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001369456067 1134795097 /nfs/dbraw/zinc/79/50/97/1134795097.db2.gz AVCVKPMEKHNJCH-SJORKVTESA-N 2 1 346.431 -0.202 20 30 EBEDMP CN(C[C@H](O)C[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001369456067 1134795103 /nfs/dbraw/zinc/79/51/03/1134795103.db2.gz AVCVKPMEKHNJCH-SJORKVTESA-N 2 1 346.431 -0.202 20 30 EBEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)cc1 ZINC000572706512 378920052 /nfs/dbraw/zinc/92/00/52/378920052.db2.gz PCFXZISWTLVZBZ-UHFFFAOYSA-N 2 1 341.415 -0.319 20 30 EBEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)cc1 ZINC000572706512 378920056 /nfs/dbraw/zinc/92/00/56/378920056.db2.gz PCFXZISWTLVZBZ-UHFFFAOYSA-N 2 1 341.415 -0.319 20 30 EBEDMP C[NH+]=C(NCC[N@H+](C)C1CC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261804940 379223156 /nfs/dbraw/zinc/22/31/56/379223156.db2.gz SCWARWAFXKRSBA-UHFFFAOYSA-N 2 1 333.440 -0.262 20 30 EBEDMP C[NH+]=C(NCC[N@@H+](C)C1CC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261804940 379223171 /nfs/dbraw/zinc/22/31/71/379223171.db2.gz SCWARWAFXKRSBA-UHFFFAOYSA-N 2 1 333.440 -0.262 20 30 EBEDMP NC(=O)COc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000267430362 379268788 /nfs/dbraw/zinc/26/87/88/379268788.db2.gz MKQFFBATENMDMQ-UHFFFAOYSA-N 2 1 349.435 -0.323 20 30 EBEDMP C[C@@H]1OCC[C@H]1[NH+](CC#CC[N@H+](CCO)[C@H]1CCO[C@H]1C)CCO ZINC000342175183 380757537 /nfs/dbraw/zinc/75/75/37/380757537.db2.gz UJWVKVJECOLRGC-XLAORIBOSA-N 2 1 340.464 -0.067 20 30 EBEDMP C[C@@H]1OCC[C@H]1[N@H+](CC#CC[NH+](CCO)[C@H]1CCO[C@H]1C)CCO ZINC000342175183 380757539 /nfs/dbraw/zinc/75/75/39/380757539.db2.gz UJWVKVJECOLRGC-XLAORIBOSA-N 2 1 340.464 -0.067 20 30 EBEDMP C[C@@H]1OCC[C@H]1[N@@H+](CC#CC[NH+](CCO)[C@H]1CCO[C@H]1C)CCO ZINC000342175183 380757540 /nfs/dbraw/zinc/75/75/40/380757540.db2.gz UJWVKVJECOLRGC-XLAORIBOSA-N 2 1 340.464 -0.067 20 30 EBEDMP CNC(=O)[C@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](C(=O)NC)C2)C1 ZINC000341894059 380744985 /nfs/dbraw/zinc/74/49/85/380744985.db2.gz JCAPLTQWNTWGMT-HOTGVXAUSA-N 2 1 334.464 -0.094 20 30 EBEDMP C=CC[C@]1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC[NH2+]1 ZINC000662815012 421103082 /nfs/dbraw/zinc/10/30/82/421103082.db2.gz BEGOBVILUPISOK-OAHLLOKOSA-N 2 1 342.465 -0.870 20 30 EBEDMP C[NH+]=C(NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)NCCN1CCOCC1 ZINC000303793575 649993200 /nfs/dbraw/zinc/99/32/00/649993200.db2.gz ZPHWWZLAKKWDDE-IYBDPMFKSA-N 2 1 341.500 -0.017 20 30 EBEDMP CN(C)C(=O)[C@H]1CC[C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)O1 ZINC000305773774 649993913 /nfs/dbraw/zinc/99/39/13/649993913.db2.gz LZLKFYZVVQNWDJ-ZIAGYGMSSA-N 2 1 341.456 -0.751 20 30 EBEDMP CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)O1 ZINC000305773771 649993927 /nfs/dbraw/zinc/99/39/27/649993927.db2.gz LZLKFYZVVQNWDJ-KBPBESRZSA-N 2 1 341.456 -0.751 20 30 EBEDMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C#N ZINC000912534966 650206658 /nfs/dbraw/zinc/20/66/58/650206658.db2.gz ILQSTVZGQALRLP-ILXRZTDVSA-N 2 1 333.436 -0.262 20 30 EBEDMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C#N)C1 ZINC000912534966 650206662 /nfs/dbraw/zinc/20/66/62/650206662.db2.gz ILQSTVZGQALRLP-ILXRZTDVSA-N 2 1 333.436 -0.262 20 30 EBEDMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H](C#N)C1 ZINC000912534966 650206664 /nfs/dbraw/zinc/20/66/64/650206664.db2.gz ILQSTVZGQALRLP-ILXRZTDVSA-N 2 1 333.436 -0.262 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C ZINC000936631597 651940178 /nfs/dbraw/zinc/94/01/78/651940178.db2.gz ADHBSOPTEBMSEE-QAETUUGQSA-N 2 1 344.459 -0.010 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC000936631597 651940183 /nfs/dbraw/zinc/94/01/83/651940183.db2.gz ADHBSOPTEBMSEE-QAETUUGQSA-N 2 1 344.459 -0.010 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C ZINC000936631597 651940187 /nfs/dbraw/zinc/94/01/87/651940187.db2.gz ADHBSOPTEBMSEE-QAETUUGQSA-N 2 1 344.459 -0.010 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C ZINC000936631597 651940191 /nfs/dbraw/zinc/94/01/91/651940191.db2.gz ADHBSOPTEBMSEE-QAETUUGQSA-N 2 1 344.459 -0.010 20 30 EBEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000941413876 652723269 /nfs/dbraw/zinc/72/32/69/652723269.db2.gz IDORWMQTPHFZLE-SJLPKXTDSA-N 2 1 346.475 -0.299 20 30 EBEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000941413876 652723271 /nfs/dbraw/zinc/72/32/71/652723271.db2.gz IDORWMQTPHFZLE-SJLPKXTDSA-N 2 1 346.475 -0.299 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000953905335 719545743 /nfs/dbraw/zinc/54/57/43/719545743.db2.gz XDZHOJBIBHCJLV-HOTGVXAUSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000953905335 719545746 /nfs/dbraw/zinc/54/57/46/719545746.db2.gz XDZHOJBIBHCJLV-HOTGVXAUSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000953905335 719545751 /nfs/dbraw/zinc/54/57/51/719545751.db2.gz XDZHOJBIBHCJLV-HOTGVXAUSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000953905335 719545755 /nfs/dbraw/zinc/54/57/55/719545755.db2.gz XDZHOJBIBHCJLV-HOTGVXAUSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC000954326388 719669928 /nfs/dbraw/zinc/66/99/28/719669928.db2.gz QZTMNEUTEDGIOG-INIZCTEOSA-N 2 1 332.448 -0.151 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC000954326388 719669931 /nfs/dbraw/zinc/66/99/31/719669931.db2.gz QZTMNEUTEDGIOG-INIZCTEOSA-N 2 1 332.448 -0.151 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000954841762 719934050 /nfs/dbraw/zinc/93/40/50/719934050.db2.gz GHENLKJBUDPSJN-INIZCTEOSA-N 2 1 344.459 -0.151 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000954841762 719934054 /nfs/dbraw/zinc/93/40/54/719934054.db2.gz GHENLKJBUDPSJN-INIZCTEOSA-N 2 1 344.459 -0.151 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000968954951 725134113 /nfs/dbraw/zinc/13/41/13/725134113.db2.gz YWNAZJDXOWCKJQ-MCIONIFRSA-N 2 1 332.404 -0.920 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000968954951 725134114 /nfs/dbraw/zinc/13/41/14/725134114.db2.gz YWNAZJDXOWCKJQ-MCIONIFRSA-N 2 1 332.404 -0.920 20 30 EBEDMP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C1CN(CCn2cncn2)C1 ZINC000969865501 725223866 /nfs/dbraw/zinc/22/38/66/725223866.db2.gz PLTABGUCGJKROA-ZBFHGGJFSA-N 2 1 330.436 -0.188 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+]([C@H]3CCN(C)C3=O)C2)CC1 ZINC000970920061 725341974 /nfs/dbraw/zinc/34/19/74/725341974.db2.gz IORVJYFLTRDBHD-YOEHRIQHSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+]([C@H]3CCNC3=O)C2)CC1 ZINC000970923946 725342555 /nfs/dbraw/zinc/34/25/55/725342555.db2.gz IQRVIUFTHGLMEN-BBRMVZONSA-N 2 1 332.448 -0.343 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000994753371 726072844 /nfs/dbraw/zinc/07/28/44/726072844.db2.gz ZNDFZIGEYSWHIF-HOCLYGCPSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000994753371 726072849 /nfs/dbraw/zinc/07/28/49/726072849.db2.gz ZNDFZIGEYSWHIF-HOCLYGCPSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000994753371 726072853 /nfs/dbraw/zinc/07/28/53/726072853.db2.gz ZNDFZIGEYSWHIF-HOCLYGCPSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000994753371 726072857 /nfs/dbraw/zinc/07/28/57/726072857.db2.gz ZNDFZIGEYSWHIF-HOCLYGCPSA-N 2 1 332.448 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000976533552 726337501 /nfs/dbraw/zinc/33/75/01/726337501.db2.gz ROSWCGZRZGNKKH-ZOFXXKQRSA-N 2 1 344.459 -0.391 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000976533552 726337503 /nfs/dbraw/zinc/33/75/03/726337503.db2.gz ROSWCGZRZGNKKH-ZOFXXKQRSA-N 2 1 344.459 -0.391 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC000976533552 726337506 /nfs/dbraw/zinc/33/75/06/726337506.db2.gz ROSWCGZRZGNKKH-ZOFXXKQRSA-N 2 1 344.459 -0.391 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC000976533552 726337508 /nfs/dbraw/zinc/33/75/08/726337508.db2.gz ROSWCGZRZGNKKH-ZOFXXKQRSA-N 2 1 344.459 -0.391 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC000976737883 726402570 /nfs/dbraw/zinc/40/25/70/726402570.db2.gz YRJYSFIDHDTXFQ-UIBIWLFHSA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC000996683474 726422057 /nfs/dbraw/zinc/42/20/57/726422057.db2.gz CUOXIKSNRIXSTC-GJZGRUSLSA-N 2 1 346.431 -0.530 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC000996683474 726422058 /nfs/dbraw/zinc/42/20/58/726422058.db2.gz CUOXIKSNRIXSTC-GJZGRUSLSA-N 2 1 346.431 -0.530 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC000996683491 726422214 /nfs/dbraw/zinc/42/22/14/726422214.db2.gz CZBIWJHKTUAMJU-CVEARBPZSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC000996683491 726422215 /nfs/dbraw/zinc/42/22/15/726422215.db2.gz CZBIWJHKTUAMJU-CVEARBPZSA-N 2 1 332.448 -0.057 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nnnn2C)CC1 ZINC000996687495 726422483 /nfs/dbraw/zinc/42/24/83/726422483.db2.gz XAAWRRUFSMJEKA-ZFWWWQNUSA-N 2 1 345.451 -0.051 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nnnn2C)CC1 ZINC000996687495 726422484 /nfs/dbraw/zinc/42/24/84/726422484.db2.gz XAAWRRUFSMJEKA-ZFWWWQNUSA-N 2 1 345.451 -0.051 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001001492513 726608774 /nfs/dbraw/zinc/60/87/74/726608774.db2.gz RGBMWPIWHWEEKW-HOTGVXAUSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001001492513 726608775 /nfs/dbraw/zinc/60/87/75/726608775.db2.gz RGBMWPIWHWEEKW-HOTGVXAUSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001002826666 726649135 /nfs/dbraw/zinc/64/91/35/726649135.db2.gz PKYJCCGIRRSCNS-HOTGVXAUSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001002826666 726649136 /nfs/dbraw/zinc/64/91/36/726649136.db2.gz PKYJCCGIRRSCNS-HOTGVXAUSA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001020251422 729115155 /nfs/dbraw/zinc/11/51/55/729115155.db2.gz MEKAKRFJSMKNRO-KKUMJFAQSA-N 2 1 346.431 -0.530 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001020251422 729115160 /nfs/dbraw/zinc/11/51/60/729115160.db2.gz MEKAKRFJSMKNRO-KKUMJFAQSA-N 2 1 346.431 -0.530 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001026893840 730168650 /nfs/dbraw/zinc/16/86/50/730168650.db2.gz OQLRSWNRZAALTL-HOCLYGCPSA-N 2 1 330.436 -0.149 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001026893840 730168651 /nfs/dbraw/zinc/16/86/51/730168651.db2.gz OQLRSWNRZAALTL-HOCLYGCPSA-N 2 1 330.436 -0.149 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001030019193 730535629 /nfs/dbraw/zinc/53/56/29/730535629.db2.gz IRENFBKRFAVTKP-ZNMIVQPWSA-N 2 1 346.431 -0.530 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001030019193 730535633 /nfs/dbraw/zinc/53/56/33/730535633.db2.gz IRENFBKRFAVTKP-ZNMIVQPWSA-N 2 1 346.431 -0.530 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001030019192 730535774 /nfs/dbraw/zinc/53/57/74/730535774.db2.gz IRENFBKRFAVTKP-KKUMJFAQSA-N 2 1 346.431 -0.530 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001030019192 730535777 /nfs/dbraw/zinc/53/57/77/730535777.db2.gz IRENFBKRFAVTKP-KKUMJFAQSA-N 2 1 346.431 -0.530 20 30 EBEDMP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001046013741 733801976 /nfs/dbraw/zinc/80/19/76/733801976.db2.gz IVLLXDWYGBFXPG-DLBZAZTESA-N 2 1 334.464 -0.441 20 30 EBEDMP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001046013741 733801977 /nfs/dbraw/zinc/80/19/77/733801977.db2.gz IVLLXDWYGBFXPG-DLBZAZTESA-N 2 1 334.464 -0.441 20 30 EBEDMP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046013741 733801979 /nfs/dbraw/zinc/80/19/79/733801979.db2.gz IVLLXDWYGBFXPG-DLBZAZTESA-N 2 1 334.464 -0.441 20 30 EBEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046013741 733801981 /nfs/dbraw/zinc/80/19/81/733801981.db2.gz IVLLXDWYGBFXPG-DLBZAZTESA-N 2 1 334.464 -0.441 20 30 EBEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)CC2)C1 ZINC001046083995 733856283 /nfs/dbraw/zinc/85/62/83/733856283.db2.gz GVMLLZUGLALKJW-MSOLQXFVSA-N 2 1 348.491 -0.194 20 30 EBEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC001046084637 733857073 /nfs/dbraw/zinc/85/70/73/733857073.db2.gz AONRZLYQIHKXGX-ROUUACIJSA-N 2 1 348.491 -0.051 20 30 EBEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC001046084637 733857076 /nfs/dbraw/zinc/85/70/76/733857076.db2.gz AONRZLYQIHKXGX-ROUUACIJSA-N 2 1 348.491 -0.051 20 30 EBEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)CC2)C1 ZINC001046084637 733857080 /nfs/dbraw/zinc/85/70/80/733857080.db2.gz AONRZLYQIHKXGX-ROUUACIJSA-N 2 1 348.491 -0.051 20 30 EBEDMP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)CC2)C1 ZINC001046084637 733857084 /nfs/dbraw/zinc/85/70/84/733857084.db2.gz AONRZLYQIHKXGX-ROUUACIJSA-N 2 1 348.491 -0.051 20 30 EBEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC001046085987 733857990 /nfs/dbraw/zinc/85/79/90/733857990.db2.gz LHERUFKEPBWFTK-DLBZAZTESA-N 2 1 334.464 -0.441 20 30 EBEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC001046085987 733857994 /nfs/dbraw/zinc/85/79/94/733857994.db2.gz LHERUFKEPBWFTK-DLBZAZTESA-N 2 1 334.464 -0.441 20 30 EBEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC2)C1 ZINC001046085987 733857998 /nfs/dbraw/zinc/85/79/98/733857998.db2.gz LHERUFKEPBWFTK-DLBZAZTESA-N 2 1 334.464 -0.441 20 30 EBEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC2)C1 ZINC001046085987 733858001 /nfs/dbraw/zinc/85/80/01/733858001.db2.gz LHERUFKEPBWFTK-DLBZAZTESA-N 2 1 334.464 -0.441 20 30 EBEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001047463793 734207734 /nfs/dbraw/zinc/20/77/34/734207734.db2.gz SUEVPTJGOATHPB-XJADACSNSA-N 2 1 333.432 -0.624 20 30 EBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001047463793 734207737 /nfs/dbraw/zinc/20/77/37/734207737.db2.gz SUEVPTJGOATHPB-XJADACSNSA-N 2 1 333.432 -0.624 20 30 EBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001047463793 734207738 /nfs/dbraw/zinc/20/77/38/734207738.db2.gz SUEVPTJGOATHPB-XJADACSNSA-N 2 1 333.432 -0.624 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]2C1 ZINC001048868498 734545722 /nfs/dbraw/zinc/54/57/22/734545722.db2.gz AWCKHMAGIYIUCP-UXLLHSPISA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@H]2C1 ZINC001048868498 734545723 /nfs/dbraw/zinc/54/57/23/734545723.db2.gz AWCKHMAGIYIUCP-UXLLHSPISA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@@H]2C1 ZINC001048868498 734545725 /nfs/dbraw/zinc/54/57/25/734545725.db2.gz AWCKHMAGIYIUCP-UXLLHSPISA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@@H]2C1 ZINC001048868498 734545726 /nfs/dbraw/zinc/54/57/26/734545726.db2.gz AWCKHMAGIYIUCP-UXLLHSPISA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(N)=O)CC1 ZINC001049913579 734806621 /nfs/dbraw/zinc/80/66/21/734806621.db2.gz CTNXNFXQLJQGRR-JKSUJKDBSA-N 2 1 332.448 -0.118 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(N)=O)CC1 ZINC001049913579 734806624 /nfs/dbraw/zinc/80/66/24/734806624.db2.gz CTNXNFXQLJQGRR-JKSUJKDBSA-N 2 1 332.448 -0.118 20 30 EBEDMP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001055542861 736375717 /nfs/dbraw/zinc/37/57/17/736375717.db2.gz LRMZIQKHBMFTOJ-UKRRQHHQSA-N 2 1 335.452 -0.063 20 30 EBEDMP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001055542861 736375720 /nfs/dbraw/zinc/37/57/20/736375720.db2.gz LRMZIQKHBMFTOJ-UKRRQHHQSA-N 2 1 335.452 -0.063 20 30 EBEDMP C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001055632699 736416947 /nfs/dbraw/zinc/41/69/47/736416947.db2.gz ZASLVPDVPPMYAI-UONOGXRCSA-N 2 1 335.452 -0.205 20 30 EBEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070478279 740842886 /nfs/dbraw/zinc/84/28/86/740842886.db2.gz SGXCUHBFQRULSI-NUEKZKHPSA-N 2 1 333.436 -0.179 20 30 EBEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070478279 740842890 /nfs/dbraw/zinc/84/28/90/740842890.db2.gz SGXCUHBFQRULSI-NUEKZKHPSA-N 2 1 333.436 -0.179 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](C[C@@H](C)O)CCCO2)CC1 ZINC001073899557 741781030 /nfs/dbraw/zinc/78/10/30/741781030.db2.gz WVZJROSPDYIQJH-NVXWUHKLSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000978284773 804767342 /nfs/dbraw/zinc/76/73/42/804767342.db2.gz SYEZQDWFLIQVLJ-NXOAAHMSSA-N 2 1 342.447 -0.330 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC000978284773 804767349 /nfs/dbraw/zinc/76/73/49/804767349.db2.gz SYEZQDWFLIQVLJ-NXOAAHMSSA-N 2 1 342.447 -0.330 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCn3cncn3)C[C@H]21 ZINC000978284773 804767353 /nfs/dbraw/zinc/76/73/53/804767353.db2.gz SYEZQDWFLIQVLJ-NXOAAHMSSA-N 2 1 342.447 -0.330 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCn3cncn3)C[C@H]21 ZINC000978284773 804767358 /nfs/dbraw/zinc/76/73/58/804767358.db2.gz SYEZQDWFLIQVLJ-NXOAAHMSSA-N 2 1 342.447 -0.330 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001214665493 810270325 /nfs/dbraw/zinc/27/03/25/810270325.db2.gz DAUBJRWCJBDEAW-LXTVHRRPSA-N 2 1 335.452 -0.207 20 30 EBEDMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214888828 810288471 /nfs/dbraw/zinc/28/84/71/810288471.db2.gz CWCBUQTVRHUSTF-QLFBSQMISA-N 2 1 335.452 -0.063 20 30 EBEDMP COCC#CCN1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001218965519 810548975 /nfs/dbraw/zinc/54/89/75/810548975.db2.gz MUOJCEXCFISLEF-YESZJQIVSA-N 2 1 335.448 -0.110 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC[C@H](C)O)C[C@@H]2O)CC1 ZINC001221066469 811359247 /nfs/dbraw/zinc/35/92/47/811359247.db2.gz YWCQOPBLIMQLFD-UAGQMJEPSA-N 2 1 337.464 -0.346 20 30 EBEDMP N#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001223203464 811688597 /nfs/dbraw/zinc/68/85/97/811688597.db2.gz YMXWIYUSJJSYQV-MRXNPFEDSA-N 2 1 347.463 -0.204 20 30 EBEDMP CCC(=O)On1nc2c(c1NC(=S)NCC[NH3+])C[NH2+]C2(C)C ZINC001239343475 812552332 /nfs/dbraw/zinc/55/23/32/812552332.db2.gz XQVZLOSLXPOQLJ-UHFFFAOYSA-N 2 1 326.426 -0.168 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC=C)C1 ZINC001263835210 813125966 /nfs/dbraw/zinc/12/59/66/813125966.db2.gz KMYLCZSCBNSPMF-XHSDSOJGSA-N 2 1 332.448 -0.129 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC=C)C1 ZINC001263835210 813125973 /nfs/dbraw/zinc/12/59/73/813125973.db2.gz KMYLCZSCBNSPMF-XHSDSOJGSA-N 2 1 332.448 -0.129 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001264456225 813177388 /nfs/dbraw/zinc/17/73/88/813177388.db2.gz JPZXIFIYFKPOGO-RRFJBIMHSA-N 2 1 338.452 -0.506 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001264456225 813177394 /nfs/dbraw/zinc/17/73/94/813177394.db2.gz JPZXIFIYFKPOGO-RRFJBIMHSA-N 2 1 338.452 -0.506 20 30 EBEDMP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001264654724 813193504 /nfs/dbraw/zinc/19/35/04/813193504.db2.gz XIJRVWJEXCLQOK-CABCVRRESA-N 2 1 335.452 -0.252 20 30 EBEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001264654724 813193508 /nfs/dbraw/zinc/19/35/08/813193508.db2.gz XIJRVWJEXCLQOK-CABCVRRESA-N 2 1 335.452 -0.252 20 30 EBEDMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001264654724 813193510 /nfs/dbraw/zinc/19/35/10/813193510.db2.gz XIJRVWJEXCLQOK-CABCVRRESA-N 2 1 335.452 -0.252 20 30 EBEDMP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001264654724 813193514 /nfs/dbraw/zinc/19/35/14/813193514.db2.gz XIJRVWJEXCLQOK-CABCVRRESA-N 2 1 335.452 -0.252 20 30 EBEDMP N#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001265594415 813348218 /nfs/dbraw/zinc/34/82/18/813348218.db2.gz ATIRFOVBIVAXMQ-CQSZACIVSA-N 2 1 333.436 -0.450 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001265594415 813348224 /nfs/dbraw/zinc/34/82/24/813348224.db2.gz ATIRFOVBIVAXMQ-CQSZACIVSA-N 2 1 333.436 -0.450 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001265673423 813357030 /nfs/dbraw/zinc/35/70/30/813357030.db2.gz FPOADCPGQISBKS-HOTGVXAUSA-N 2 1 345.447 -0.306 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001265673423 813357040 /nfs/dbraw/zinc/35/70/40/813357040.db2.gz FPOADCPGQISBKS-HOTGVXAUSA-N 2 1 345.447 -0.306 20 30 EBEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001265936165 813419490 /nfs/dbraw/zinc/41/94/90/813419490.db2.gz GFOLFVBLENZTQL-GJZGRUSLSA-N 2 1 338.452 -0.410 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266901117 813696451 /nfs/dbraw/zinc/69/64/51/813696451.db2.gz RPRQJDBDXAMVJR-BMQFZULRSA-N 2 1 344.459 -0.488 20 30 EBEDMP C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267589974 813945482 /nfs/dbraw/zinc/94/54/82/813945482.db2.gz SLHKTXLRVPKLCT-OAHLLOKOSA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148926 814162441 /nfs/dbraw/zinc/16/24/41/814162441.db2.gz NPLRYRFBIXVLNQ-RWBIUQBRSA-N 2 1 345.443 -0.216 20 30 EBEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148926 814162448 /nfs/dbraw/zinc/16/24/48/814162448.db2.gz NPLRYRFBIXVLNQ-RWBIUQBRSA-N 2 1 345.443 -0.216 20 30 EBEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148926 814162450 /nfs/dbraw/zinc/16/24/50/814162450.db2.gz NPLRYRFBIXVLNQ-RWBIUQBRSA-N 2 1 345.443 -0.216 20 30 EBEDMP C[NH+](C)CCCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC(=O)NCC#N)C1 ZINC001268269125 814168342 /nfs/dbraw/zinc/16/83/42/814168342.db2.gz SYBKJZKKACYDGY-HUUCEWRRSA-N 2 1 335.452 -0.109 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CCCO)C[C@@H]32)CC1 ZINC001083283472 814262465 /nfs/dbraw/zinc/26/24/65/814262465.db2.gz CWWBURCKXDKMEN-DLBZAZTESA-N 2 1 335.448 -0.374 20 30 EBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001268752987 814378517 /nfs/dbraw/zinc/37/85/17/814378517.db2.gz SCMXZBLSOALORV-AWEZNQCLSA-N 2 1 338.452 -0.717 20 30 EBEDMP C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001268752987 814378526 /nfs/dbraw/zinc/37/85/26/814378526.db2.gz SCMXZBLSOALORV-AWEZNQCLSA-N 2 1 338.452 -0.717 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](CC[NH2+]CC(=O)NCC#N)C2)C1 ZINC001269797838 815609210 /nfs/dbraw/zinc/60/92/10/815609210.db2.gz DBZAKBANUFOIHG-CABCVRRESA-N 2 1 335.452 -0.204 20 30 EBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cnn(C)c1 ZINC001086984504 816434789 /nfs/dbraw/zinc/43/47/89/816434789.db2.gz QKRNYWPLSBTHPW-XLNGHYISSA-N 2 1 345.447 -0.344 20 30 EBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cnn(C)c1 ZINC001086984504 816434792 /nfs/dbraw/zinc/43/47/92/816434792.db2.gz QKRNYWPLSBTHPW-XLNGHYISSA-N 2 1 345.447 -0.344 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001272494271 816444838 /nfs/dbraw/zinc/44/48/38/816444838.db2.gz OHXKZQXFGDTSNZ-HNNXBMFYSA-N 2 1 331.420 -0.231 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001273176331 816600375 /nfs/dbraw/zinc/60/03/75/816600375.db2.gz SPBPOEJOOXWJRZ-CHWSQXEVSA-N 2 1 339.440 -0.566 20 30 EBEDMP C=CCN1C(=O)C[C@@]2(CCC[N@H+](CC(=O)N3CCN(C)CC3)C2)C1=O ZINC001273835860 816778941 /nfs/dbraw/zinc/77/89/41/816778941.db2.gz KXNFWWOPRYFLPD-GOSISDBHSA-N 2 1 348.447 -0.213 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001274267376 816915136 /nfs/dbraw/zinc/91/51/36/816915136.db2.gz ADHPDBKTPJXGJH-GJZGRUSLSA-N 2 1 338.452 -0.553 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ccnc3)C[C@H]2C1 ZINC001276839573 817482372 /nfs/dbraw/zinc/48/23/72/817482372.db2.gz KLWBMFUHMIVUAT-JYJNAYRXSA-N 2 1 343.431 -0.151 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001276995151 817507378 /nfs/dbraw/zinc/50/73/78/817507378.db2.gz DGJMHCUSEDJOKG-JYJNAYRXSA-N 2 1 330.432 -0.682 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001276995151 817507382 /nfs/dbraw/zinc/50/73/82/817507382.db2.gz DGJMHCUSEDJOKG-JYJNAYRXSA-N 2 1 330.432 -0.682 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]Cc2nccnc2C)CC1 ZINC001278201152 817723702 /nfs/dbraw/zinc/72/37/02/817723702.db2.gz ASCARUYXYXSLGG-MRXNPFEDSA-N 2 1 345.447 -0.303 20 30 EBEDMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]([NH2+]CC(=O)NCC#N)C(C)(C)C2)C1 ZINC001278684888 817794107 /nfs/dbraw/zinc/79/41/07/817794107.db2.gz NOSDGTIOOMCCEA-KGLIPLIRSA-N 2 1 335.452 -0.205 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001278756372 817809595 /nfs/dbraw/zinc/80/95/95/817809595.db2.gz OPYJAYHGAXVYHA-GJZGRUSLSA-N 2 1 338.452 -0.983 20 30 EBEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001278787834 817831565 /nfs/dbraw/zinc/83/15/65/817831565.db2.gz WLTZGPCBNDQXSA-GOSISDBHSA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001278828554 817856387 /nfs/dbraw/zinc/85/63/87/817856387.db2.gz OQENQZHLXAJNOT-QFBILLFUSA-N 2 1 349.475 -0.079 20 30 EBEDMP COCC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001278873130 817878047 /nfs/dbraw/zinc/87/80/47/817878047.db2.gz AQNXQCGALSOLEZ-HZPDHXFCSA-N 2 1 325.453 -0.271 20 30 EBEDMP COCC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001278873130 817878055 /nfs/dbraw/zinc/87/80/55/817878055.db2.gz AQNXQCGALSOLEZ-HZPDHXFCSA-N 2 1 325.453 -0.271 20 30 EBEDMP COCC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001278873130 817878064 /nfs/dbraw/zinc/87/80/64/817878064.db2.gz AQNXQCGALSOLEZ-HZPDHXFCSA-N 2 1 325.453 -0.271 20 30 EBEDMP C=CCNC(=O)C[NH+]1CCC(CO)(NC(=O)CC[NH+](C)C)CC1 ZINC001281817401 818284874 /nfs/dbraw/zinc/28/48/74/818284874.db2.gz RHJZAMKYQBDFLG-UHFFFAOYSA-N 2 1 326.441 -0.817 20 30 EBEDMP C#CCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2=O)C1 ZINC001094738816 818394459 /nfs/dbraw/zinc/39/44/59/818394459.db2.gz OKUQAHKOAHEDIX-IIAWOOMASA-N 2 1 332.448 -0.249 20 30 EBEDMP C#CCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2=O)C1 ZINC001094738816 818394464 /nfs/dbraw/zinc/39/44/64/818394464.db2.gz OKUQAHKOAHEDIX-IIAWOOMASA-N 2 1 332.448 -0.249 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@H](C)[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001282914524 818527045 /nfs/dbraw/zinc/52/70/45/818527045.db2.gz VSYUWYOKZUNAOV-HUUCEWRRSA-N 2 1 349.435 -0.301 20 30 EBEDMP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001282960055 818551322 /nfs/dbraw/zinc/55/13/22/818551322.db2.gz XNDHYIHULZHRTD-SOUVJXGZSA-N 2 1 335.452 -0.205 20 30 EBEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001098434127 819185218 /nfs/dbraw/zinc/18/52/18/819185218.db2.gz NICZGZHHEGXSNR-RMXPPQQLSA-N 2 1 347.459 -0.232 20 30 EBEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001098434127 819185219 /nfs/dbraw/zinc/18/52/19/819185219.db2.gz NICZGZHHEGXSNR-RMXPPQQLSA-N 2 1 347.459 -0.232 20 30 EBEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001098434127 819185225 /nfs/dbraw/zinc/18/52/25/819185225.db2.gz NICZGZHHEGXSNR-RMXPPQQLSA-N 2 1 347.459 -0.232 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]Cc1cn(C)nc1C ZINC001284415399 819220009 /nfs/dbraw/zinc/22/00/09/819220009.db2.gz DRVXPRMCYJRHNX-SJORKVTESA-N 2 1 347.463 -0.265 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]Cc1cn(C)nc1C ZINC001284415399 819220014 /nfs/dbraw/zinc/22/00/14/819220014.db2.gz DRVXPRMCYJRHNX-SJORKVTESA-N 2 1 347.463 -0.265 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cn(C)nc1C ZINC001284415397 819220227 /nfs/dbraw/zinc/22/02/27/819220227.db2.gz DRVXPRMCYJRHNX-IRXDYDNUSA-N 2 1 347.463 -0.265 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cn(C)nc1C ZINC001284415397 819220233 /nfs/dbraw/zinc/22/02/33/819220233.db2.gz DRVXPRMCYJRHNX-IRXDYDNUSA-N 2 1 347.463 -0.265 20 30 EBEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001098562218 819245917 /nfs/dbraw/zinc/24/59/17/819245917.db2.gz UNBFYQBNXIKHAK-INIZCTEOSA-N 2 1 337.464 -0.127 20 30 EBEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001284517394 819267653 /nfs/dbraw/zinc/26/76/53/819267653.db2.gz UQFCRKXRSSOAMI-HNNXBMFYSA-N 2 1 325.453 -0.128 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001284969595 819434837 /nfs/dbraw/zinc/43/48/37/819434837.db2.gz UWQIJRCOZOHDGN-INIZCTEOSA-N 2 1 332.448 -0.246 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001284969595 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C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC001351679279 832269101 /nfs/dbraw/zinc/26/91/01/832269101.db2.gz LUCKBIXYAOYIGC-HNNXBMFYSA-N 2 1 338.452 -0.189 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001166707524 832280955 /nfs/dbraw/zinc/28/09/55/832280955.db2.gz GZYJQUWWSBZBJY-CHWSQXEVSA-N 2 1 339.440 -0.708 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001166707527 832281056 /nfs/dbraw/zinc/28/10/56/832281056.db2.gz GZYJQUWWSBZBJY-STQMWFEESA-N 2 1 339.440 -0.708 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)CCCC[NH+]1CCOCC1 ZINC001168385987 832418428 /nfs/dbraw/zinc/41/84/28/832418428.db2.gz PYBHHXTZZULVSQ-UHFFFAOYSA-N 2 1 338.452 -0.666 20 30 EBEDMP C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001169981996 832486988 /nfs/dbraw/zinc/48/69/88/832486988.db2.gz JBCUZPMRFOQETN-CABCVRRESA-N 2 1 340.468 -0.116 20 30 EBEDMP C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001169981996 832486991 /nfs/dbraw/zinc/48/69/91/832486991.db2.gz JBCUZPMRFOQETN-CABCVRRESA-N 2 1 340.468 -0.116 20 30 EBEDMP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001178890551 832927453 /nfs/dbraw/zinc/92/74/53/832927453.db2.gz HXDYHQKJLDMILE-MELADBBJSA-N 2 1 344.419 -0.021 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188969748 834111703 /nfs/dbraw/zinc/11/17/03/834111703.db2.gz ATPUMTNNFLLCJM-HRCADAONSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188969748 834111708 /nfs/dbraw/zinc/11/17/08/834111708.db2.gz ATPUMTNNFLLCJM-HRCADAONSA-N 2 1 346.475 -0.001 20 30 EBEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189794090 834193112 /nfs/dbraw/zinc/19/31/12/834193112.db2.gz NKEPKGISPYSXTL-LSDHHAIUSA-N 2 1 338.452 -0.601 20 30 EBEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189794090 834193116 /nfs/dbraw/zinc/19/31/16/834193116.db2.gz NKEPKGISPYSXTL-LSDHHAIUSA-N 2 1 338.452 -0.601 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001190248220 834249626 /nfs/dbraw/zinc/24/96/26/834249626.db2.gz YOJIEAZDLVJSSO-SOUVJXGZSA-N 2 1 335.452 -0.111 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001190248220 834249629 /nfs/dbraw/zinc/24/96/29/834249629.db2.gz YOJIEAZDLVJSSO-SOUVJXGZSA-N 2 1 335.452 -0.111 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)NCC#N)C2)CC[NH+]1C ZINC001190248220 834249636 /nfs/dbraw/zinc/24/96/36/834249636.db2.gz YOJIEAZDLVJSSO-SOUVJXGZSA-N 2 1 335.452 -0.111 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NCC#N)C2)CC[NH+]1C ZINC001190248220 834249643 /nfs/dbraw/zinc/24/96/43/834249643.db2.gz YOJIEAZDLVJSSO-SOUVJXGZSA-N 2 1 335.452 -0.111 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001190248219 834250048 /nfs/dbraw/zinc/25/00/48/834250048.db2.gz YOJIEAZDLVJSSO-QLFBSQMISA-N 2 1 335.452 -0.111 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001190248219 834250056 /nfs/dbraw/zinc/25/00/56/834250056.db2.gz YOJIEAZDLVJSSO-QLFBSQMISA-N 2 1 335.452 -0.111 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NCC#N)C2)CC[NH+]1C ZINC001190248219 834250065 /nfs/dbraw/zinc/25/00/65/834250065.db2.gz YOJIEAZDLVJSSO-QLFBSQMISA-N 2 1 335.452 -0.111 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C2)CC[NH+]1C ZINC001190248219 834250070 /nfs/dbraw/zinc/25/00/70/834250070.db2.gz YOJIEAZDLVJSSO-QLFBSQMISA-N 2 1 335.452 -0.111 20 30 EBEDMP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190643464 834308405 /nfs/dbraw/zinc/30/84/05/834308405.db2.gz BXUGJQGOMBZHOD-SJORKVTESA-N 2 1 347.463 -0.004 20 30 EBEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001190643464 834308414 /nfs/dbraw/zinc/30/84/14/834308414.db2.gz BXUGJQGOMBZHOD-SJORKVTESA-N 2 1 347.463 -0.004 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488501 834890049 /nfs/dbraw/zinc/89/00/49/834890049.db2.gz OFIDZXJVDKFDJS-CABCVRRESA-N 2 1 338.452 -0.765 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOC(C)C)C[C@H]2O)CC1 ZINC001199030208 835751956 /nfs/dbraw/zinc/75/19/56/835751956.db2.gz QYLPYJDLFJKALJ-IAGOWNOFSA-N 2 1 337.464 -0.082 20 30 EBEDMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)CC[N@H+]1C ZINC001200643512 836004735 /nfs/dbraw/zinc/00/47/35/836004735.db2.gz DDYHAMQVICWBMQ-LSDHHAIUSA-N 2 1 335.452 -0.063 20 30 EBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001200657768 836009756 /nfs/dbraw/zinc/00/97/56/836009756.db2.gz AVCJSLHKBQDZEE-HZPDHXFCSA-N 2 1 348.447 -0.820 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001201094004 836093188 /nfs/dbraw/zinc/09/31/88/836093188.db2.gz LZQSXPKLIIHSSB-HNNXBMFYSA-N 2 1 331.420 -0.696 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001201094004 836093197 /nfs/dbraw/zinc/09/31/97/836093197.db2.gz LZQSXPKLIIHSSB-HNNXBMFYSA-N 2 1 331.420 -0.696 20 30 EBEDMP CC(C)[N@@H+](C)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001202162927 836264588 /nfs/dbraw/zinc/26/45/88/836264588.db2.gz BZOVWFBVGKBOGZ-CQSZACIVSA-N 2 1 339.440 -0.827 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203728711 836469448 /nfs/dbraw/zinc/46/94/48/836469448.db2.gz BASCSCJWEAXATG-UONOGXRCSA-N 2 1 344.419 -0.152 20 30 EBEDMP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001206274231 836635721 /nfs/dbraw/zinc/63/57/21/836635721.db2.gz FIPZNWBAJMWIQR-OAHLLOKOSA-N 2 1 334.464 -0.094 20 30 EBEDMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001209241231 837142278 /nfs/dbraw/zinc/14/22/78/837142278.db2.gz ALUNSUHUAXMYEK-KKUMJFAQSA-N 2 1 335.452 -0.063 20 30 EBEDMP CC1(C)CC[N@@H+](CC(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001209680375 837189655 /nfs/dbraw/zinc/18/96/55/837189655.db2.gz YTYQVKJMLOGHDO-CQSZACIVSA-N 2 1 335.452 -0.061 20 30 EBEDMP N#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001320112694 838233975 /nfs/dbraw/zinc/23/39/75/838233975.db2.gz FGAUFFQOLPDIGG-CABCVRRESA-N 2 1 333.436 -0.355 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)C[C@@H](O)COC)CC1 ZINC001322307212 839170280 /nfs/dbraw/zinc/17/02/80/839170280.db2.gz OZZIVUFTWGAKJQ-GOEBONIOSA-N 2 1 325.453 -0.225 20 30 EBEDMP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001324413943 839652392 /nfs/dbraw/zinc/65/23/92/839652392.db2.gz QHOLNAFKOJKKEM-CQSZACIVSA-N 2 1 349.435 -0.798 20 30 EBEDMP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001324413943 839652401 /nfs/dbraw/zinc/65/24/01/839652401.db2.gz QHOLNAFKOJKKEM-CQSZACIVSA-N 2 1 349.435 -0.798 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001324814542 839719162 /nfs/dbraw/zinc/71/91/62/839719162.db2.gz UZLBWFPMUWBGSW-MAUKXSAKSA-N 2 1 334.464 -0.094 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001325425742 839863597 /nfs/dbraw/zinc/86/35/97/839863597.db2.gz CBWVPQNFVQXPHT-KBPBESRZSA-N 2 1 332.408 -0.342 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnn(C)c1 ZINC001332522975 841659728 /nfs/dbraw/zinc/65/97/28/841659728.db2.gz RYDNHMARPYJQKD-HOTGVXAUSA-N 2 1 333.436 -0.573 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnn(C)c1 ZINC001332522975 841659733 /nfs/dbraw/zinc/65/97/33/841659733.db2.gz RYDNHMARPYJQKD-HOTGVXAUSA-N 2 1 333.436 -0.573 20 30 EBEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001335570623 842306087 /nfs/dbraw/zinc/30/60/87/842306087.db2.gz PRUQHZMRIJJEOZ-CQSZACIVSA-N 2 1 336.436 -0.074 20 30 EBEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001348805403 843749225 /nfs/dbraw/zinc/74/92/25/843749225.db2.gz YEFFPGKUXRPBGB-DOTOQJQBSA-N 2 1 338.452 -0.534 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001691184197 1125841652 /nfs/dbraw/zinc/84/16/52/1125841652.db2.gz CUDLUWJJMJSJEA-BPLDGKMQSA-N 2 1 331.420 -0.186 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C2CC2)[C@H]2CCNC2=O)CC1 ZINC001481201285 1125938119 /nfs/dbraw/zinc/93/81/19/1125938119.db2.gz XCYHSXOQZONTRY-INIZCTEOSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C2CC2)[C@H]2CCNC2=O)CC1 ZINC001481201285 1125938121 /nfs/dbraw/zinc/93/81/21/1125938121.db2.gz XCYHSXOQZONTRY-INIZCTEOSA-N 2 1 332.448 -0.199 20 30 EBEDMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N)C2 ZINC001482331610 1126133201 /nfs/dbraw/zinc/13/32/01/1126133201.db2.gz RZRAFVZFRXCWFS-GXTWGEPZSA-N 2 1 346.435 -0.170 20 30 EBEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C1CCCC1 ZINC001483997804 1126496270 /nfs/dbraw/zinc/49/62/70/1126496270.db2.gz YRCRESFBOXXHHQ-HUUCEWRRSA-N 2 1 335.452 -0.015 20 30 EBEDMP C[N@@H+](CC(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)C[C@@H]2C1)C1CCC1 ZINC001484409300 1126570212 /nfs/dbraw/zinc/57/02/12/1126570212.db2.gz NBDZFWABPPBBRT-OKILXGFUSA-N 2 1 333.436 -0.499 20 30 EBEDMP C[NH+](CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@@H]2C1)C1CCC1 ZINC001484409300 1126570213 /nfs/dbraw/zinc/57/02/13/1126570213.db2.gz NBDZFWABPPBBRT-OKILXGFUSA-N 2 1 333.436 -0.499 20 30 EBEDMP C[NH+](CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@@H]2C1)C1CCC1 ZINC001484409300 1126570214 /nfs/dbraw/zinc/57/02/14/1126570214.db2.gz NBDZFWABPPBBRT-OKILXGFUSA-N 2 1 333.436 -0.499 20 30 EBEDMP C[N@@H+](CC(=O)NCC#N)C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001485079415 1126671869 /nfs/dbraw/zinc/67/18/69/1126671869.db2.gz YOLBXPAGXOKMPA-AWEZNQCLSA-N 2 1 333.436 -0.355 20 30 EBEDMP C[N@H+](CC(=O)NCC#N)C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001485079415 1126671871 /nfs/dbraw/zinc/67/18/71/1126671871.db2.gz YOLBXPAGXOKMPA-AWEZNQCLSA-N 2 1 333.436 -0.355 20 30 EBEDMP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CC(=O)NCC#N)C1 ZINC001485485763 1126731916 /nfs/dbraw/zinc/73/19/16/1126731916.db2.gz SZGLXMJFDRUGSY-HUUCEWRRSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CC(=O)NCC#N)C1 ZINC001485485763 1126731919 /nfs/dbraw/zinc/73/19/19/1126731919.db2.gz SZGLXMJFDRUGSY-HUUCEWRRSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CC(=O)NCC#N)C1 ZINC001485485763 1126731927 /nfs/dbraw/zinc/73/19/27/1126731927.db2.gz SZGLXMJFDRUGSY-HUUCEWRRSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCCCC[N@H+]2CC(=O)NCC#N)C1 ZINC001485485763 1126731929 /nfs/dbraw/zinc/73/19/29/1126731929.db2.gz SZGLXMJFDRUGSY-HUUCEWRRSA-N 2 1 335.452 -0.061 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001485518958 1126741282 /nfs/dbraw/zinc/74/12/82/1126741282.db2.gz YVNYZCKCTNUJIH-ZIAGYGMSSA-N 2 1 334.464 -0.097 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]Cc2ocnc2C)CC1 ZINC001486065702 1127015316 /nfs/dbraw/zinc/01/53/16/1127015316.db2.gz IZRUVINJNJYYHF-HNNXBMFYSA-N 2 1 334.420 -0.105 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001490664763 1129242980 /nfs/dbraw/zinc/24/29/80/1129242980.db2.gz MKFLCFURHRAZFH-ARFHVFGLSA-N 2 1 334.464 -0.050 20 30 EBEDMP C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)NC1CC[NH+](C)CC1 ZINC001363217720 1131836296 /nfs/dbraw/zinc/83/62/96/1131836296.db2.gz QZQQXVFADUPGMY-UHFFFAOYSA-N 2 1 333.440 -0.062 20 30 EBEDMP C[NH+]1CC[C@@H](CC(=O)NCC#CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000635787937 377122776 /nfs/dbraw/zinc/12/27/76/377122776.db2.gz WYVNBGVYWYIROB-IYBDPMFKSA-N 2 1 334.464 -0.094 20 30 EBEDMP C[NH+]1CC[C@H](CC(=O)NCC#CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000635787937 377122787 /nfs/dbraw/zinc/12/27/87/377122787.db2.gz WYVNBGVYWYIROB-IYBDPMFKSA-N 2 1 334.464 -0.094 20 30 EBEDMP C[NH+]1CC[C@H](CC(=O)NCC#CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000635787937 377122796 /nfs/dbraw/zinc/12/27/96/377122796.db2.gz WYVNBGVYWYIROB-IYBDPMFKSA-N 2 1 334.464 -0.094 20 30 EBEDMP NC(=O)c1cccc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000264246594 379243231 /nfs/dbraw/zinc/24/32/31/379243231.db2.gz GDHWPHNBKKZNER-UHFFFAOYSA-N 2 1 333.436 -0.045 20 30 EBEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCNC(=O)c1cccnc1 ZINC000264113380 379244170 /nfs/dbraw/zinc/24/41/70/379244170.db2.gz RQIUFQZTXRGDEA-UHFFFAOYSA-N 2 1 334.424 -0.562 20 30 EBEDMP CN1CCC([N@H+]2CC[C@@H](Nc3c(C#N)c(=O)n(C)c(=O)n3C)C2)CC1 ZINC000369244134 379378856 /nfs/dbraw/zinc/37/88/56/379378856.db2.gz PXJFVMFBQIMTPH-GFCCVEGCSA-N 2 1 346.435 -0.464 20 30 EBEDMP CN(C)CC[N@H+](C)CCCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000288746982 380418736 /nfs/dbraw/zinc/41/87/36/380418736.db2.gz QDJBLHAXXCTEFM-UHFFFAOYSA-N 2 1 348.499 -0.203 20 30 EBEDMP CN(C)CC[N@@H+](C)CCCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000288746982 380418742 /nfs/dbraw/zinc/41/87/42/380418742.db2.gz QDJBLHAXXCTEFM-UHFFFAOYSA-N 2 1 348.499 -0.203 20 30 EBEDMP OCC[NH+](CC#CC[N@H+](CCO)C1CCOCC1)C1CCOCC1 ZINC000342121457 380755410 /nfs/dbraw/zinc/75/54/10/380755410.db2.gz FEMUCJLQKCQURM-UHFFFAOYSA-N 2 1 340.464 -0.064 20 30 EBEDMP CO[C@H]1C[N@@H+](CC#CC[NH+]2C[C@@H](OC)C[C@@]2(C)CO)[C@](C)(CO)C1 ZINC000639999168 381173836 /nfs/dbraw/zinc/17/38/36/381173836.db2.gz ITBYHWZPRBEVEX-MHORFTMASA-N 2 1 340.464 -0.067 20 30 EBEDMP CO[C@H]1C[NH+](CC#CC[N@@H+]2C[C@@H](OC)C[C@@]2(C)CO)[C@](C)(CO)C1 ZINC000639999168 381173839 /nfs/dbraw/zinc/17/38/39/381173839.db2.gz ITBYHWZPRBEVEX-MHORFTMASA-N 2 1 340.464 -0.067 20 30 EBEDMP CO[C@H]1C[NH+](CC#CC[N@H+]2C[C@@H](OC)C[C@@]2(C)CO)[C@](C)(CO)C1 ZINC000639999168 381173843 /nfs/dbraw/zinc/17/38/43/381173843.db2.gz ITBYHWZPRBEVEX-MHORFTMASA-N 2 1 340.464 -0.067 20 30 EBEDMP C=CC[C@@]1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC[NH2+]1 ZINC000662815011 421102889 /nfs/dbraw/zinc/10/28/89/421102889.db2.gz BEGOBVILUPISOK-HNNXBMFYSA-N 2 1 342.465 -0.870 20 30 EBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000261931394 649985521 /nfs/dbraw/zinc/98/55/21/649985521.db2.gz WIKKCCDLPATCPY-CHWSQXEVSA-N 2 1 331.486 -0.344 20 30 EBEDMP CNC(=O)C(C)(C)CNC(=[NH+]C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261645115 649984431 /nfs/dbraw/zinc/98/44/31/649984431.db2.gz DQAHEBXYRQPQIS-CQSZACIVSA-N 2 1 339.484 -0.012 20 30 EBEDMP C#CCN(C(=O)C(=O)NCC[N@H+](C)CCOC)C1CC[NH+](C)CC1 ZINC000929894440 651569594 /nfs/dbraw/zinc/56/95/94/651569594.db2.gz JSDSJVPBDQFMLU-UHFFFAOYSA-N 2 1 338.452 -0.763 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CCN(C3C[NH+](CCOC)C3)CC2)CC1 ZINC000941677839 652876934 /nfs/dbraw/zinc/87/69/34/652876934.db2.gz WVFXTNFLZQKIBK-UHFFFAOYSA-N 2 1 348.491 -0.194 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)C[C@@H]2C)CC1 ZINC000945183646 653360653 /nfs/dbraw/zinc/36/06/53/653360653.db2.gz RMSPLQYSFCFAIJ-HOCLYGCPSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000954631279 719803288 /nfs/dbraw/zinc/80/32/88/719803288.db2.gz UREGWOJVZFHAIU-CVEARBPZSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000954631279 719803294 /nfs/dbraw/zinc/80/32/94/719803294.db2.gz UREGWOJVZFHAIU-CVEARBPZSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000954631279 719803303 /nfs/dbraw/zinc/80/33/03/719803303.db2.gz UREGWOJVZFHAIU-CVEARBPZSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000954631279 719803310 /nfs/dbraw/zinc/80/33/10/719803310.db2.gz UREGWOJVZFHAIU-CVEARBPZSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nncn3C)C2)CC1 ZINC000970792414 725328951 /nfs/dbraw/zinc/32/89/51/725328951.db2.gz KESKVILHHONYDH-OAHLLOKOSA-N 2 1 330.436 -0.149 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+]([C@H]3CCN(C)C3=O)C2)CC1 ZINC000970920058 725342019 /nfs/dbraw/zinc/34/20/19/725342019.db2.gz IORVJYFLTRDBHD-PBHICJAKSA-N 2 1 346.475 -0.001 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCN2CCNC2=O)C1 ZINC000971703629 725431970 /nfs/dbraw/zinc/43/19/70/725431970.db2.gz JVMHTHAAXDYGRX-HOTGVXAUSA-N 2 1 347.463 -0.358 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCN2CCNC2=O)C1 ZINC000971703629 725431971 /nfs/dbraw/zinc/43/19/71/725431971.db2.gz JVMHTHAAXDYGRX-HOTGVXAUSA-N 2 1 347.463 -0.358 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCN2CCNC2=O)C1 ZINC000971703629 725431972 /nfs/dbraw/zinc/43/19/72/725431972.db2.gz JVMHTHAAXDYGRX-HOTGVXAUSA-N 2 1 347.463 -0.358 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCN2CCNC2=O)C1 ZINC000971703629 725431973 /nfs/dbraw/zinc/43/19/73/725431973.db2.gz JVMHTHAAXDYGRX-HOTGVXAUSA-N 2 1 347.463 -0.358 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001051660035 735299275 /nfs/dbraw/zinc/29/92/75/735299275.db2.gz JHXVHEFWOFZPAH-HOTGVXAUSA-N 2 1 346.435 -0.770 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001051660035 735299278 /nfs/dbraw/zinc/29/92/78/735299278.db2.gz JHXVHEFWOFZPAH-HOTGVXAUSA-N 2 1 346.435 -0.770 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]21 ZINC000976737873 726402532 /nfs/dbraw/zinc/40/25/32/726402532.db2.gz YNSBTNJGZPPUDO-BQJWPVKWSA-N 2 1 346.475 -0.003 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000999846378 726534711 /nfs/dbraw/zinc/53/47/11/726534711.db2.gz CYXHNYXLQNTEKG-HOCLYGCPSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000999846378 726534712 /nfs/dbraw/zinc/53/47/12/726534712.db2.gz CYXHNYXLQNTEKG-HOCLYGCPSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC000999846378 726534713 /nfs/dbraw/zinc/53/47/13/726534713.db2.gz CYXHNYXLQNTEKG-HOCLYGCPSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC000999846378 726534714 /nfs/dbraw/zinc/53/47/14/726534714.db2.gz CYXHNYXLQNTEKG-HOCLYGCPSA-N 2 1 332.448 -0.105 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC000999903483 726540686 /nfs/dbraw/zinc/54/06/86/726540686.db2.gz MCEBNHAMUMLPRR-WMLDXEAASA-N 2 1 346.475 -0.144 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001002001918 726629758 /nfs/dbraw/zinc/62/97/58/726629758.db2.gz QIFPMHJJMHOIEG-QGZVFWFLSA-N 2 1 346.475 -0.142 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001003333065 726670005 /nfs/dbraw/zinc/67/00/05/726670005.db2.gz GYMVAULOELNBAP-INIZCTEOSA-N 2 1 344.459 -0.246 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001003333065 726670006 /nfs/dbraw/zinc/67/00/06/726670006.db2.gz GYMVAULOELNBAP-INIZCTEOSA-N 2 1 344.459 -0.246 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001020250835 729114910 /nfs/dbraw/zinc/11/49/10/729114910.db2.gz UDKLDEIGKFNXFG-VGWMRTNUSA-N 2 1 332.448 -0.058 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001020250835 729114912 /nfs/dbraw/zinc/11/49/12/729114912.db2.gz UDKLDEIGKFNXFG-VGWMRTNUSA-N 2 1 332.448 -0.058 20 30 EBEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1=O ZINC001021928388 729347415 /nfs/dbraw/zinc/34/74/15/729347415.db2.gz PHFUSCKFEPAHKH-XGUBFFRZSA-N 2 1 336.436 -0.659 20 30 EBEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC001021928388 729347418 /nfs/dbraw/zinc/34/74/18/729347418.db2.gz PHFUSCKFEPAHKH-XGUBFFRZSA-N 2 1 336.436 -0.659 20 30 EBEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001025719388 730078641 /nfs/dbraw/zinc/07/86/41/730078641.db2.gz QDPMPDMGOSBMBZ-JKJDWNRSSA-N 2 1 348.447 -0.850 20 30 EBEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001025719388 730078643 /nfs/dbraw/zinc/07/86/43/730078643.db2.gz QDPMPDMGOSBMBZ-JKJDWNRSSA-N 2 1 348.447 -0.850 20 30 EBEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)CCO2)C1=O ZINC001025719388 730078644 /nfs/dbraw/zinc/07/86/44/730078644.db2.gz QDPMPDMGOSBMBZ-JKJDWNRSSA-N 2 1 348.447 -0.850 20 30 EBEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)CCO2)C1=O ZINC001025719388 730078645 /nfs/dbraw/zinc/07/86/45/730078645.db2.gz QDPMPDMGOSBMBZ-JKJDWNRSSA-N 2 1 348.447 -0.850 20 30 EBEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001025719390 730078707 /nfs/dbraw/zinc/07/87/07/730078707.db2.gz QDPMPDMGOSBMBZ-XFIYOXNOSA-N 2 1 348.447 -0.850 20 30 EBEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001025719390 730078709 /nfs/dbraw/zinc/07/87/09/730078709.db2.gz QDPMPDMGOSBMBZ-XFIYOXNOSA-N 2 1 348.447 -0.850 20 30 EBEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+](C)CCO2)C1=O ZINC001025719390 730078711 /nfs/dbraw/zinc/07/87/11/730078711.db2.gz QDPMPDMGOSBMBZ-XFIYOXNOSA-N 2 1 348.447 -0.850 20 30 EBEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+](C)CCO2)C1=O ZINC001025719390 730078713 /nfs/dbraw/zinc/07/87/13/730078713.db2.gz QDPMPDMGOSBMBZ-XFIYOXNOSA-N 2 1 348.447 -0.850 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCNC2=O)CC1 ZINC001028333050 730285277 /nfs/dbraw/zinc/28/52/77/730285277.db2.gz BWLOPUNBPGTYCM-HZPDHXFCSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCNC2=O)CC1 ZINC001028333050 730285279 /nfs/dbraw/zinc/28/52/79/730285279.db2.gz BWLOPUNBPGTYCM-HZPDHXFCSA-N 2 1 332.448 -0.199 20 30 EBEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC001046084633 733857645 /nfs/dbraw/zinc/85/76/45/733857645.db2.gz AONRZLYQIHKXGX-MSOLQXFVSA-N 2 1 348.491 -0.051 20 30 EBEDMP 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C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148682 814162641 /nfs/dbraw/zinc/16/26/41/814162641.db2.gz AHMGTPQFFVZTCE-HNCZQISISA-N 2 1 333.432 -0.053 20 30 EBEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148682 814162646 /nfs/dbraw/zinc/16/26/46/814162646.db2.gz AHMGTPQFFVZTCE-HNCZQISISA-N 2 1 333.432 -0.053 20 30 EBEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148682 814162649 /nfs/dbraw/zinc/16/26/49/814162649.db2.gz AHMGTPQFFVZTCE-HNCZQISISA-N 2 1 333.432 -0.053 20 30 EBEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148682 814162653 /nfs/dbraw/zinc/16/26/53/814162653.db2.gz AHMGTPQFFVZTCE-HNCZQISISA-N 2 1 333.432 -0.053 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001269079027 814519446 /nfs/dbraw/zinc/51/94/46/814519446.db2.gz BMMDYHYCTUDUMM-CABCVRRESA-N 2 1 331.420 -0.792 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001269079027 814519447 /nfs/dbraw/zinc/51/94/47/814519447.db2.gz BMMDYHYCTUDUMM-CABCVRRESA-N 2 1 331.420 -0.792 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C[C@H]1C ZINC001269980381 815655433 /nfs/dbraw/zinc/65/54/33/815655433.db2.gz GHHZKTTVGDSEGV-TZMCWYRMSA-N 2 1 332.408 -0.200 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001271629091 816169092 /nfs/dbraw/zinc/16/90/92/816169092.db2.gz LZLKDBNQQNUUMD-GJZGRUSLSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001271873648 816242071 /nfs/dbraw/zinc/24/20/71/816242071.db2.gz LBQKJQQARHQRKK-CAOSSQGBSA-N 2 1 332.448 -0.391 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001271873648 816242073 /nfs/dbraw/zinc/24/20/73/816242073.db2.gz LBQKJQQARHQRKK-CAOSSQGBSA-N 2 1 332.448 -0.391 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001271873648 816242078 /nfs/dbraw/zinc/24/20/78/816242078.db2.gz LBQKJQQARHQRKK-CAOSSQGBSA-N 2 1 332.448 -0.391 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001086390488 816316944 /nfs/dbraw/zinc/31/69/44/816316944.db2.gz XAORQOZTPHFLCC-VGWMRTNUSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001086390488 816316951 /nfs/dbraw/zinc/31/69/51/816316951.db2.gz XAORQOZTPHFLCC-VGWMRTNUSA-N 2 1 332.448 -0.153 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)CC[C@@H]3C2)CC1 ZINC001088212115 816649607 /nfs/dbraw/zinc/64/96/07/816649607.db2.gz QHNKNSIVMFISSO-CVEARBPZSA-N 2 1 332.448 -0.403 20 30 EBEDMP C#CCN1C(=O)C[C@]2(CCC[N@H+](CC(=O)N3CCN(C)CC3)C2)C1=O ZINC001273836645 816780459 /nfs/dbraw/zinc/78/04/59/816780459.db2.gz SPKIAYMPGDHKQA-SFHVURJKSA-N 2 1 346.431 -0.765 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001275238419 817176192 /nfs/dbraw/zinc/17/61/92/817176192.db2.gz SWOYXTLUTVVXJE-NSHDSACASA-N 2 1 336.396 -0.702 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COC)C[C@H]21 ZINC001276679308 817452178 /nfs/dbraw/zinc/45/21/78/817452178.db2.gz UWNBGQLQOVSPTN-MTSZKFMLSA-N 2 1 335.448 -0.615 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]21 ZINC001276679308 817452184 /nfs/dbraw/zinc/45/21/84/817452184.db2.gz UWNBGQLQOVSPTN-MTSZKFMLSA-N 2 1 335.448 -0.615 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](C[C@@H](O)COC)C[C@H]21 ZINC001276679308 817452189 /nfs/dbraw/zinc/45/21/89/817452189.db2.gz UWNBGQLQOVSPTN-MTSZKFMLSA-N 2 1 335.448 -0.615 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](C[C@@H](O)COC)C[C@H]21 ZINC001276679308 817452194 /nfs/dbraw/zinc/45/21/94/817452194.db2.gz UWNBGQLQOVSPTN-MTSZKFMLSA-N 2 1 335.448 -0.615 20 30 EBEDMP COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001278154827 817711285 /nfs/dbraw/zinc/71/12/85/817711285.db2.gz ICRGKPNYEAXQOY-HUUCEWRRSA-N 2 1 334.420 -0.530 20 30 EBEDMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(C)CCC[NH+](CC(=O)NCC#N)C2)C1 ZINC001278688504 817794118 /nfs/dbraw/zinc/79/41/18/817794118.db2.gz WYQHYADYBSPTQY-RHSMWYFYSA-N 2 1 335.452 -0.204 20 30 EBEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(C)CCC[NH+](CC(=O)NCC#N)C2)C1 ZINC001278688504 817794120 /nfs/dbraw/zinc/79/41/20/817794120.db2.gz WYQHYADYBSPTQY-RHSMWYFYSA-N 2 1 335.452 -0.204 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)NC[C@@]2(C)CCC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001278688504 817794123 /nfs/dbraw/zinc/79/41/23/817794123.db2.gz WYQHYADYBSPTQY-RHSMWYFYSA-N 2 1 335.452 -0.204 20 30 EBEDMP C[NH+]1CC[C@@H](C(=O)NC[C@@]2(C)CCC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001278688504 817794126 /nfs/dbraw/zinc/79/41/26/817794126.db2.gz WYQHYADYBSPTQY-RHSMWYFYSA-N 2 1 335.452 -0.204 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001278756370 817809356 /nfs/dbraw/zinc/80/93/56/817809356.db2.gz OPYJAYHGAXVYHA-CABCVRRESA-N 2 1 338.452 -0.983 20 30 EBEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001279415757 817927523 /nfs/dbraw/zinc/92/75/23/817927523.db2.gz DJLYJNTVIWYGKR-OWCLPIDISA-N 2 1 347.463 -0.109 20 30 EBEDMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001279415757 817927524 /nfs/dbraw/zinc/92/75/24/817927524.db2.gz DJLYJNTVIWYGKR-OWCLPIDISA-N 2 1 347.463 -0.109 20 30 EBEDMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001279415757 817927526 /nfs/dbraw/zinc/92/75/26/817927526.db2.gz DJLYJNTVIWYGKR-OWCLPIDISA-N 2 1 347.463 -0.109 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001281328475 818146787 /nfs/dbraw/zinc/14/67/87/818146787.db2.gz AFNQSAXWVSZSEJ-BBWFWOEESA-N 2 1 344.459 -0.198 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001281328475 818146791 /nfs/dbraw/zinc/14/67/91/818146791.db2.gz AFNQSAXWVSZSEJ-BBWFWOEESA-N 2 1 344.459 -0.198 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1(C)C ZINC001284321665 819184618 /nfs/dbraw/zinc/18/46/18/819184618.db2.gz CDYSJISQTOAXBV-HUUCEWRRSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](O)C1 ZINC001099893096 819848178 /nfs/dbraw/zinc/84/81/78/819848178.db2.gz UMEUKVMEKKENIL-JKSUJKDBSA-N 2 1 337.464 -0.081 20 30 EBEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001099903211 819883071 /nfs/dbraw/zinc/88/30/71/819883071.db2.gz CCZCREPLZWENEA-HZPDHXFCSA-N 2 1 335.448 -0.184 20 30 EBEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001099903211 819883087 /nfs/dbraw/zinc/88/30/87/819883087.db2.gz CCZCREPLZWENEA-HZPDHXFCSA-N 2 1 335.448 -0.184 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCOCC)C[C@H]2O)CC1 ZINC001100122000 820250869 /nfs/dbraw/zinc/25/08/69/820250869.db2.gz JYKAIBUFKFRWDW-DLBZAZTESA-N 2 1 337.464 -0.081 20 30 EBEDMP C[N@H+](CC(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1)C1CCC1 ZINC001101268448 820742585 /nfs/dbraw/zinc/74/25/85/820742585.db2.gz BJNISXLYPPCYHS-KDOFPFPSSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[N@@H+](CC(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1)C1CCC1 ZINC001101268448 820742589 /nfs/dbraw/zinc/74/25/89/820742589.db2.gz BJNISXLYPPCYHS-KDOFPFPSSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[NH+](CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1)C1CCC1 ZINC001101268448 820742593 /nfs/dbraw/zinc/74/25/93/820742593.db2.gz BJNISXLYPPCYHS-KDOFPFPSSA-N 2 1 347.463 -0.109 20 30 EBEDMP C[NH+](CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1)C1CCC1 ZINC001101268448 820742599 /nfs/dbraw/zinc/74/25/99/820742599.db2.gz BJNISXLYPPCYHS-KDOFPFPSSA-N 2 1 347.463 -0.109 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101341250 820760019 /nfs/dbraw/zinc/76/00/19/820760019.db2.gz DFAWUJWSWJYFJQ-QAPCUYQASA-N 2 1 346.475 -0.142 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101398054 820778878 /nfs/dbraw/zinc/77/88/78/820778878.db2.gz UQPDULFZRKKIBI-QAPCUYQASA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@]2(C)C1 ZINC001101443488 820790786 /nfs/dbraw/zinc/79/07/86/820790786.db2.gz HGRIKTCSILMTTL-QAPCUYQASA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@]2(C)C1 ZINC001101443488 820790793 /nfs/dbraw/zinc/79/07/93/820790793.db2.gz HGRIKTCSILMTTL-QAPCUYQASA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@]2(C)C1 ZINC001101443488 820790798 /nfs/dbraw/zinc/79/07/98/820790798.db2.gz HGRIKTCSILMTTL-QAPCUYQASA-N 2 1 334.464 -0.142 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001102056019 821014833 /nfs/dbraw/zinc/01/48/33/821014833.db2.gz JKPXHIZFFZQHHC-ZACQAIPSSA-N 2 1 337.464 -0.223 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001102056019 821014841 /nfs/dbraw/zinc/01/48/41/821014841.db2.gz JKPXHIZFFZQHHC-ZACQAIPSSA-N 2 1 337.464 -0.223 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCOCCO)C[C@H]1C ZINC001102056019 821014852 /nfs/dbraw/zinc/01/48/52/821014852.db2.gz JKPXHIZFFZQHHC-ZACQAIPSSA-N 2 1 337.464 -0.223 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCOCCO)C[C@H]1C ZINC001102056019 821014863 /nfs/dbraw/zinc/01/48/63/821014863.db2.gz JKPXHIZFFZQHHC-ZACQAIPSSA-N 2 1 337.464 -0.223 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001317097344 822001476 /nfs/dbraw/zinc/00/14/76/822001476.db2.gz SPEDURLJRJAUFF-ZQDZILKHSA-N 2 1 336.436 -0.918 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001317097344 822001478 /nfs/dbraw/zinc/00/14/78/822001478.db2.gz SPEDURLJRJAUFF-ZQDZILKHSA-N 2 1 336.436 -0.918 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)COC)C1 ZINC001317132935 822013458 /nfs/dbraw/zinc/01/34/58/822013458.db2.gz UYZZSIVSYWXZSY-IKGGRYGDSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](C[C@H](O)COC)C1 ZINC001317132935 822013464 /nfs/dbraw/zinc/01/34/64/822013464.db2.gz UYZZSIVSYWXZSY-IKGGRYGDSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](C[C@H](O)COC)C1 ZINC001317132935 822013471 /nfs/dbraw/zinc/01/34/71/822013471.db2.gz UYZZSIVSYWXZSY-IKGGRYGDSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](C[C@H](O)COC)C1 ZINC001317132935 822013479 /nfs/dbraw/zinc/01/34/79/822013479.db2.gz UYZZSIVSYWXZSY-IKGGRYGDSA-N 2 1 337.464 -0.081 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001317333990 822086603 /nfs/dbraw/zinc/08/66/03/822086603.db2.gz PJOHPZRWPIVLPT-JYJNAYRXSA-N 2 1 334.464 -0.096 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001317574120 822160333 /nfs/dbraw/zinc/16/03/33/822160333.db2.gz UYGJXRFUQWSBEC-GFCCVEGCSA-N 2 1 325.413 -0.860 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001317574121 822161535 /nfs/dbraw/zinc/16/15/35/822161535.db2.gz UYGJXRFUQWSBEC-LBPRGKRZSA-N 2 1 325.413 -0.860 20 30 EBEDMP C[NH+](C)C1(C(=O)N2CC[C@H](C[N@H+](C)CC(=O)NCC#N)C2)CCC1 ZINC001317840795 822223256 /nfs/dbraw/zinc/22/32/56/822223256.db2.gz VFYPCYKDURXVLD-CQSZACIVSA-N 2 1 335.452 -0.109 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106266464 822239005 /nfs/dbraw/zinc/23/90/05/822239005.db2.gz LDTKDXYQSHZQLC-OAGGEKHMSA-N 2 1 345.447 -0.592 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106266464 822239012 /nfs/dbraw/zinc/23/90/12/822239012.db2.gz LDTKDXYQSHZQLC-OAGGEKHMSA-N 2 1 345.447 -0.592 20 30 EBEDMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106662929 822308641 /nfs/dbraw/zinc/30/86/41/822308641.db2.gz KIBRSZXMTOWRAP-RBSFLKMASA-N 2 1 335.452 -0.205 20 30 EBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1=O ZINC001129386927 828611350 /nfs/dbraw/zinc/61/13/50/828611350.db2.gz QUJHBEQHPWYBHB-LSDHHAIUSA-N 2 1 348.451 -0.694 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001129770866 828667344 /nfs/dbraw/zinc/66/73/44/828667344.db2.gz MFXRPNQKRBIDSK-CABCVRRESA-N 2 1 341.477 -0.385 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001129770866 828667345 /nfs/dbraw/zinc/66/73/45/828667345.db2.gz MFXRPNQKRBIDSK-CABCVRRESA-N 2 1 341.477 -0.385 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(=O)c(OC)co1 ZINC001129790849 828670051 /nfs/dbraw/zinc/67/00/51/828670051.db2.gz KOAMUGGMCWPFSK-AWEZNQCLSA-N 2 1 333.388 -0.048 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(=O)c(OC)co1 ZINC001129790849 828670054 /nfs/dbraw/zinc/67/00/54/828670054.db2.gz KOAMUGGMCWPFSK-AWEZNQCLSA-N 2 1 333.388 -0.048 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NCC(F)(F)F ZINC001129790576 828670491 /nfs/dbraw/zinc/67/04/91/828670491.db2.gz BYWZMPMUQTVNGI-NEPJUHHUSA-N 2 1 348.369 -0.143 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NCC(F)(F)F ZINC001129790576 828670498 /nfs/dbraw/zinc/67/04/98/828670498.db2.gz BYWZMPMUQTVNGI-NEPJUHHUSA-N 2 1 348.369 -0.143 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111282180 825043663 /nfs/dbraw/zinc/04/36/63/825043663.db2.gz FEHXFKBMUPCWEN-FPCVCCKLSA-N 2 1 344.459 -0.058 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111282180 825043670 /nfs/dbraw/zinc/04/36/70/825043670.db2.gz FEHXFKBMUPCWEN-FPCVCCKLSA-N 2 1 344.459 -0.058 20 30 EBEDMP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC#N)C2 ZINC001111951172 825357006 /nfs/dbraw/zinc/35/70/06/825357006.db2.gz WBHVARFZBZUSLX-YOEHRIQHSA-N 2 1 335.452 -0.061 20 30 EBEDMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC#N)C2 ZINC001111951172 825357014 /nfs/dbraw/zinc/35/70/14/825357014.db2.gz WBHVARFZBZUSLX-YOEHRIQHSA-N 2 1 335.452 -0.061 20 30 EBEDMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001111951172 825357023 /nfs/dbraw/zinc/35/70/23/825357023.db2.gz WBHVARFZBZUSLX-YOEHRIQHSA-N 2 1 335.452 -0.061 20 30 EBEDMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001111951172 825357032 /nfs/dbraw/zinc/35/70/32/825357032.db2.gz WBHVARFZBZUSLX-YOEHRIQHSA-N 2 1 335.452 -0.061 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001111983126 825367507 /nfs/dbraw/zinc/36/75/07/825367507.db2.gz CHWWPVANGUPPAB-VKJFTORMSA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001111983126 825367514 /nfs/dbraw/zinc/36/75/14/825367514.db2.gz CHWWPVANGUPPAB-VKJFTORMSA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111983126 825367523 /nfs/dbraw/zinc/36/75/23/825367523.db2.gz CHWWPVANGUPPAB-VKJFTORMSA-N 2 1 332.448 -0.342 20 30 EBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111983126 825367532 /nfs/dbraw/zinc/36/75/32/825367532.db2.gz CHWWPVANGUPPAB-VKJFTORMSA-N 2 1 332.448 -0.342 20 30 EBEDMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001114426686 826244720 /nfs/dbraw/zinc/24/47/20/826244720.db2.gz QVOWIPPKGKYKEM-WVZRYYJFSA-N 2 1 333.436 -0.453 20 30 EBEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001114426686 826244724 /nfs/dbraw/zinc/24/47/24/826244724.db2.gz QVOWIPPKGKYKEM-WVZRYYJFSA-N 2 1 333.436 -0.453 20 30 EBEDMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114426686 826244731 /nfs/dbraw/zinc/24/47/31/826244731.db2.gz QVOWIPPKGKYKEM-WVZRYYJFSA-N 2 1 333.436 -0.453 20 30 EBEDMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114426686 826244736 /nfs/dbraw/zinc/24/47/36/826244736.db2.gz QVOWIPPKGKYKEM-WVZRYYJFSA-N 2 1 333.436 -0.453 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114741920 826330811 /nfs/dbraw/zinc/33/08/11/826330811.db2.gz YIJZDTPOVKGKNG-KBXIAJHMSA-N 2 1 332.448 -0.488 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001114769437 826338173 /nfs/dbraw/zinc/33/81/73/826338173.db2.gz FRKZGFJWOSTADV-ARLBYUKCSA-N 2 1 332.448 -0.488 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001180182695 833054502 /nfs/dbraw/zinc/05/45/02/833054502.db2.gz KSZXVCLHRWZODS-SOUVJXGZSA-N 2 1 336.436 -0.965 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001180182695 833054510 /nfs/dbraw/zinc/05/45/10/833054510.db2.gz KSZXVCLHRWZODS-SOUVJXGZSA-N 2 1 336.436 -0.965 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001183249872 833284549 /nfs/dbraw/zinc/28/45/49/833284549.db2.gz VOYWMHKGKJKXHF-CABCVRRESA-N 2 1 348.451 -0.694 20 30 EBEDMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@]1(C)C[NH2+]CC(=O)NCC#N ZINC001183398790 833289210 /nfs/dbraw/zinc/28/92/10/833289210.db2.gz HTJCWNHEDBTCDB-JKIFEVAISA-N 2 1 335.452 -0.348 20 30 EBEDMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@]1(C)C[NH2+]CC(=O)NCC#N ZINC001183398789 833289261 /nfs/dbraw/zinc/28/92/61/833289261.db2.gz HTJCWNHEDBTCDB-CKEIUWERSA-N 2 1 335.452 -0.348 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183410988 833289629 /nfs/dbraw/zinc/28/96/29/833289629.db2.gz VGHYTPZBUIRCIB-IIDMSEBBSA-N 2 1 334.464 -0.238 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127067472 828247276 /nfs/dbraw/zinc/24/72/76/828247276.db2.gz XMJNYNWYHJOGKW-CYBMUJFWSA-N 2 1 339.440 -0.423 20 30 EBEDMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)C2 ZINC001185669528 833366338 /nfs/dbraw/zinc/36/63/38/833366338.db2.gz SONLEIRCEQAJSQ-ZIAGYGMSSA-N 2 1 344.419 -0.416 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001211175922 837404952 /nfs/dbraw/zinc/40/49/52/837404952.db2.gz DSYRYYLDUVJUDY-HUUCEWRRSA-N 2 1 338.452 -0.410 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001211175922 837404958 /nfs/dbraw/zinc/40/49/58/837404958.db2.gz DSYRYYLDUVJUDY-HUUCEWRRSA-N 2 1 338.452 -0.410 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001211176680 837405308 /nfs/dbraw/zinc/40/53/08/837405308.db2.gz NAXZIIRAAHMZPN-LSDHHAIUSA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001211176680 837405317 /nfs/dbraw/zinc/40/53/17/837405317.db2.gz NAXZIIRAAHMZPN-LSDHHAIUSA-N 2 1 336.436 -0.963 20 30 EBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135892439 830038538 /nfs/dbraw/zinc/03/85/38/830038538.db2.gz KQCYNDIZFGBLRT-UHFFFAOYSA-N 2 1 326.360 -0.664 20 30 EBEDMP C[NH+](C)[C@H](C(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC#N)C2)C1CC1 ZINC001147724270 830401042 /nfs/dbraw/zinc/40/10/42/830401042.db2.gz JWKZGSTVLHVDKK-HNNXBMFYSA-N 2 1 333.436 -0.499 20 30 EBEDMP C[NH+](C)[C@H](C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC#N)C2)C1CC1 ZINC001147724270 830401048 /nfs/dbraw/zinc/40/10/48/830401048.db2.gz JWKZGSTVLHVDKK-HNNXBMFYSA-N 2 1 333.436 -0.499 20 30 EBEDMP COCC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001147773089 830409828 /nfs/dbraw/zinc/40/98/28/830409828.db2.gz DGGGSURNEIQNRM-HZPDHXFCSA-N 2 1 335.448 -0.110 20 30 EBEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001147773089 830409832 /nfs/dbraw/zinc/40/98/32/830409832.db2.gz DGGGSURNEIQNRM-HZPDHXFCSA-N 2 1 335.448 -0.110 20 30 EBEDMP COCC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001147773089 830409833 /nfs/dbraw/zinc/40/98/33/830409833.db2.gz DGGGSURNEIQNRM-HZPDHXFCSA-N 2 1 335.448 -0.110 20 30 EBEDMP COCC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001147773089 830409836 /nfs/dbraw/zinc/40/98/36/830409836.db2.gz DGGGSURNEIQNRM-HZPDHXFCSA-N 2 1 335.448 -0.110 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147877556 830424731 /nfs/dbraw/zinc/42/47/31/830424731.db2.gz LKSRMEVFZYQCAZ-GFCCVEGCSA-N 2 1 325.413 -0.954 20 30 EBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147900504 830428098 /nfs/dbraw/zinc/42/80/98/830428098.db2.gz OXHANMCSOWIRQU-CHWSQXEVSA-N 2 1 339.440 -0.566 20 30 EBEDMP CC(C)[C@H](C(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC#N)C2)[NH+](C)C ZINC001148226878 830458880 /nfs/dbraw/zinc/45/88/80/830458880.db2.gz WJXPBSLKCAETKB-OAHLLOKOSA-N 2 1 335.452 -0.253 20 30 EBEDMP CC(C)[C@H](C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC#N)C2)[NH+](C)C ZINC001148226878 830458883 /nfs/dbraw/zinc/45/88/83/830458883.db2.gz WJXPBSLKCAETKB-OAHLLOKOSA-N 2 1 335.452 -0.253 20 30 EBEDMP C[N@@H+]1CC[C@H](CC(=O)N2CC3(C2)CC[NH+](CC(=O)NCC#N)C3)C1 ZINC001148611751 830517572 /nfs/dbraw/zinc/51/75/72/830517572.db2.gz MBIZJFNBRKLUPN-CQSZACIVSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[N@H+]1CC[C@H](CC(=O)N2CC3(C2)CC[NH+](CC(=O)NCC#N)C3)C1 ZINC001148611751 830517581 /nfs/dbraw/zinc/51/75/81/830517581.db2.gz MBIZJFNBRKLUPN-CQSZACIVSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[NH+]1CC[C@H](CC(=O)N2CC3(C2)CC[N@H+](CC(=O)NCC#N)C3)C1 ZINC001148611751 830517591 /nfs/dbraw/zinc/51/75/91/830517591.db2.gz MBIZJFNBRKLUPN-CQSZACIVSA-N 2 1 333.436 -0.498 20 30 EBEDMP C[NH+]1CC[C@H](CC(=O)N2CC3(C2)CC[N@@H+](CC(=O)NCC#N)C3)C1 ZINC001148611751 830517601 /nfs/dbraw/zinc/51/76/01/830517601.db2.gz MBIZJFNBRKLUPN-CQSZACIVSA-N 2 1 333.436 -0.498 20 30 EBEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156146286 831459334 /nfs/dbraw/zinc/45/93/34/831459334.db2.gz VFWBSKTYBXMNOQ-HNNXBMFYSA-N 2 1 340.468 -0.163 20 30 EBEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156146286 831459340 /nfs/dbraw/zinc/45/93/40/831459340.db2.gz VFWBSKTYBXMNOQ-HNNXBMFYSA-N 2 1 340.468 -0.163 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCN1C(=O)CCC1=O ZINC001160209556 831825336 /nfs/dbraw/zinc/82/53/36/831825336.db2.gz QGDYHYADMMAFRA-AWEZNQCLSA-N 2 1 334.420 -0.671 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCN1C(=O)CCC1=O ZINC001160209556 831825340 /nfs/dbraw/zinc/82/53/40/831825340.db2.gz QGDYHYADMMAFRA-AWEZNQCLSA-N 2 1 334.420 -0.671 20 30 EBEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1=O ZINC001160851119 831895348 /nfs/dbraw/zinc/89/53/48/831895348.db2.gz RZRFHMIKGZDQQG-RBSFLKMASA-N 2 1 338.452 -0.412 20 30 EBEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1=O ZINC001160851119 831895356 /nfs/dbraw/zinc/89/53/56/831895356.db2.gz RZRFHMIKGZDQQG-RBSFLKMASA-N 2 1 338.452 -0.412 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176071626 832655984 /nfs/dbraw/zinc/65/59/84/832655984.db2.gz HDAYXYZPSIHVPL-GFCCVEGCSA-N 2 1 325.413 -0.954 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001189667223 834177568 /nfs/dbraw/zinc/17/75/68/834177568.db2.gz DILLLCFEEICBHI-OWCLPIDISA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001189667223 834177569 /nfs/dbraw/zinc/17/75/69/834177569.db2.gz DILLLCFEEICBHI-OWCLPIDISA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189667223 834177572 /nfs/dbraw/zinc/17/75/72/834177572.db2.gz DILLLCFEEICBHI-OWCLPIDISA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189667223 834177575 /nfs/dbraw/zinc/17/75/75/834177575.db2.gz DILLLCFEEICBHI-OWCLPIDISA-N 2 1 334.464 -0.001 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801452 834193633 /nfs/dbraw/zinc/19/36/33/834193633.db2.gz GWLQTMGZAQZMBY-OWCLPIDISA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801452 834193636 /nfs/dbraw/zinc/19/36/36/834193636.db2.gz GWLQTMGZAQZMBY-OWCLPIDISA-N 2 1 344.459 -0.247 20 30 EBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190195509 834243212 /nfs/dbraw/zinc/24/32/12/834243212.db2.gz HQXGVBJDKVHDJR-HOTGVXAUSA-N 2 1 332.448 -0.390 20 30 EBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190195509 834243214 /nfs/dbraw/zinc/24/32/14/834243214.db2.gz HQXGVBJDKVHDJR-HOTGVXAUSA-N 2 1 332.448 -0.390 20 30 EBEDMP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001190445735 834270280 /nfs/dbraw/zinc/27/02/80/834270280.db2.gz ZXKPDASZLJMGCQ-ZIAGYGMSSA-N 2 1 341.431 -0.161 20 30 EBEDMP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001190445735 834270284 /nfs/dbraw/zinc/27/02/84/834270284.db2.gz ZXKPDASZLJMGCQ-ZIAGYGMSSA-N 2 1 341.431 -0.161 20 30 EBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192143077 834616525 /nfs/dbraw/zinc/61/65/25/834616525.db2.gz KYUDXHPUHQUFCP-HOCLYGCPSA-N 2 1 334.464 -0.001 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192151626 834618203 /nfs/dbraw/zinc/61/82/03/834618203.db2.gz AQQCMIMDIFFZRH-CYBMUJFWSA-N 2 1 339.440 -0.517 20 30 EBEDMP C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192151626 834618206 /nfs/dbraw/zinc/61/82/06/834618206.db2.gz AQQCMIMDIFFZRH-CYBMUJFWSA-N 2 1 339.440 -0.517 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCOCCO)C2)CC1 ZINC001194247290 835060065 /nfs/dbraw/zinc/06/00/65/835060065.db2.gz VVBOKYWBZIUGDK-QGZVFWFLSA-N 2 1 337.464 -0.127 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCCOC)C[C@H]2O)CC1 ZINC001199029559 835752020 /nfs/dbraw/zinc/75/20/20/835752020.db2.gz LGQXLNCSXNRTGX-IAGOWNOFSA-N 2 1 337.464 -0.081 20 30 EBEDMP N#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001200658074 836011180 /nfs/dbraw/zinc/01/11/80/836011180.db2.gz GZQLYFQLVVLGNT-CABCVRRESA-N 2 1 349.435 -0.930 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)CCCO1 ZINC001201930183 836217079 /nfs/dbraw/zinc/21/70/79/836217079.db2.gz BLCRDERBZYQHNB-HNNXBMFYSA-N 2 1 338.452 -0.715 20 30 EBEDMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CC(=O)NCC#N)CC2)CC[N@H+]1C ZINC001205334919 836559217 /nfs/dbraw/zinc/55/92/17/836559217.db2.gz SXZRCPQYMHLPKS-UKRRQHHQSA-N 2 1 335.452 -0.205 20 30 EBEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1 ZINC001206275629 836635096 /nfs/dbraw/zinc/63/50/96/836635096.db2.gz XIWBUFQKTDPVCP-AWEZNQCLSA-N 2 1 335.452 -0.061 20 30 EBEDMP C#CCNC(=O)[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001206928917 836716539 /nfs/dbraw/zinc/71/65/39/836716539.db2.gz MZENMHIEINLSMP-HOCLYGCPSA-N 2 1 334.464 -0.096 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001208352574 837002601 /nfs/dbraw/zinc/00/26/01/837002601.db2.gz IVGRNRKWVULSFK-KBPBESRZSA-N 2 1 349.435 -0.880 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001208352574 837002611 /nfs/dbraw/zinc/00/26/11/837002611.db2.gz IVGRNRKWVULSFK-KBPBESRZSA-N 2 1 349.435 -0.880 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NCC=C)C1 ZINC001208352827 837004931 /nfs/dbraw/zinc/00/49/31/837004931.db2.gz PTYZHLDWRJOANT-HOTGVXAUSA-N 2 1 332.448 -0.033 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NCC=C)C1 ZINC001208352827 837004938 /nfs/dbraw/zinc/00/49/38/837004938.db2.gz PTYZHLDWRJOANT-HOTGVXAUSA-N 2 1 332.448 -0.033 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208410887 837024505 /nfs/dbraw/zinc/02/45/05/837024505.db2.gz HEFOJAUYLZONCW-RBSFLKMASA-N 2 1 338.452 -0.412 20 30 EBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208410887 837024520 /nfs/dbraw/zinc/02/45/20/837024520.db2.gz HEFOJAUYLZONCW-RBSFLKMASA-N 2 1 338.452 -0.412 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC(=O)NCC#N)C1 ZINC001320104019 838230901 /nfs/dbraw/zinc/23/09/01/838230901.db2.gz ORBLQUVZPLVREM-HUUCEWRRSA-N 2 1 344.419 -0.246 20 30 EBEDMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC(=O)NCC#N)C1 ZINC001320104019 838230910 /nfs/dbraw/zinc/23/09/10/838230910.db2.gz ORBLQUVZPLVREM-HUUCEWRRSA-N 2 1 344.419 -0.246 20 30 EBEDMP Cc1[nH+]cc2n1C[C@H](C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N)CC2 ZINC001321211792 838937311 /nfs/dbraw/zinc/93/73/11/838937311.db2.gz SAHKMDPQJPQTDL-BAABZTOOSA-N 2 1 344.419 -0.344 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001323467651 839449866 /nfs/dbraw/zinc/44/98/66/839449866.db2.gz GLOQDVWDMDLFNW-CVEARBPZSA-N 2 1 345.447 -0.420 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001323467651 839449867 /nfs/dbraw/zinc/44/98/67/839449867.db2.gz GLOQDVWDMDLFNW-CVEARBPZSA-N 2 1 345.447 -0.420 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NCC2(O)C[NH+](CC[C@@H]3CCOC3)C2)CC1 ZINC001325318297 839847209 /nfs/dbraw/zinc/84/72/09/839847209.db2.gz KTSGHPFJTGVQGK-MRXNPFEDSA-N 2 1 349.475 -0.079 20 30 EBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001325466816 839870665 /nfs/dbraw/zinc/87/06/65/839870665.db2.gz OMFOLHUFFMCTHQ-JSGCOSHPSA-N 2 1 332.408 -0.342 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(CO)CCC[N@H+](CCOC)C2)CC1 ZINC001325866394 839963008 /nfs/dbraw/zinc/96/30/08/839963008.db2.gz WIACWWZBJRYMKB-SFHVURJKSA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001326992564 840263339 /nfs/dbraw/zinc/26/33/39/840263339.db2.gz WDNZFULHXLLECD-HOTGVXAUSA-N 2 1 346.435 -0.807 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001326992564 840263346 /nfs/dbraw/zinc/26/33/46/840263346.db2.gz WDNZFULHXLLECD-HOTGVXAUSA-N 2 1 346.435 -0.807 20 30 EBEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001330605649 841244416 /nfs/dbraw/zinc/24/44/16/841244416.db2.gz SBTZEUSGHOIVGJ-RBSFLKMASA-N 2 1 335.452 -0.015 20 30 EBEDMP C#CCNC(=O)CN1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001332115433 841575936 /nfs/dbraw/zinc/57/59/36/841575936.db2.gz DBAOYWLGYFHELD-IIDMSEBBSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001332115433 841575945 /nfs/dbraw/zinc/57/59/45/841575945.db2.gz DBAOYWLGYFHELD-IIDMSEBBSA-N 2 1 332.448 -0.199 20 30 EBEDMP C#CCNC(=O)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001332115433 841575952 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CPJHWNSQXRVEBM-UONOGXRCSA-N 2 1 326.441 -0.866 20 30 EBEDMP C=CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001332617232 841689941 /nfs/dbraw/zinc/68/99/41/841689941.db2.gz CPJHWNSQXRVEBM-UONOGXRCSA-N 2 1 326.441 -0.866 20 30 EBEDMP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001691365523 1125853947 /nfs/dbraw/zinc/85/39/47/1125853947.db2.gz DGECSOWXKXUJFL-QLFBSQMISA-N 2 1 335.452 -0.063 20 30 EBEDMP C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482365739 1126139447 /nfs/dbraw/zinc/13/94/47/1126139447.db2.gz XQJWTOHLFMTDCK-OLZOCXBDSA-N 2 1 339.440 -0.614 20 30 EBEDMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001482796648 1126293612 /nfs/dbraw/zinc/29/36/12/1126293612.db2.gz BGVODUOEJQNAKC-IRXDYDNUSA-N 2 1 346.431 -0.154 20 30 EBEDMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001482796648 1126293613 /nfs/dbraw/zinc/29/36/13/1126293613.db2.gz BGVODUOEJQNAKC-IRXDYDNUSA-N 2 1 346.431 -0.154 20 30 EBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001483160989 1126348803 /nfs/dbraw/zinc/34/88/03/1126348803.db2.gz QQZQDOQGXDPYQC-TZMCWYRMSA-N 2 1 331.420 -0.402 20 30 EBEDMP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC(=O)NCC#N)C1 ZINC001485485762 1126731448 /nfs/dbraw/zinc/73/14/48/1126731448.db2.gz SZGLXMJFDRUGSY-GJZGRUSLSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC(=O)NCC#N)C1 ZINC001485485762 1126731452 /nfs/dbraw/zinc/73/14/52/1126731452.db2.gz SZGLXMJFDRUGSY-GJZGRUSLSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CC(=O)NCC#N)C1 ZINC001485485762 1126731455 /nfs/dbraw/zinc/73/14/55/1126731455.db2.gz SZGLXMJFDRUGSY-GJZGRUSLSA-N 2 1 335.452 -0.061 20 30 EBEDMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CC(=O)NCC#N)C1 ZINC001485485762 1126731458 /nfs/dbraw/zinc/73/14/58/1126731458.db2.gz SZGLXMJFDRUGSY-GJZGRUSLSA-N 2 1 335.452 -0.061 20 30 EBEDMP COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001486294538 1127103193 /nfs/dbraw/zinc/10/31/93/1127103193.db2.gz IPJNPWAVQONGNG-RDJZCZTQSA-N 2 1 348.447 -0.187 20 30 EBEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001486359514 1127153836 /nfs/dbraw/zinc/15/38/36/1127153836.db2.gz YEPWCVCOGJEISC-HZPDHXFCSA-N 2 1 325.453 -0.271 20 30 EBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]2C)CC1 ZINC001093224399 1128308988 /nfs/dbraw/zinc/30/89/88/1128308988.db2.gz USGCAZNSQDADGG-IIAWOOMASA-N 2 1 334.464 -0.111 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCOCCO)C1 ZINC001491112025 1130328245 /nfs/dbraw/zinc/32/82/45/1130328245.db2.gz XQXRNCIAFRONNG-SJORKVTESA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCOCCO)C1 ZINC001491112025 1130328251 /nfs/dbraw/zinc/32/82/51/1130328251.db2.gz XQXRNCIAFRONNG-SJORKVTESA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCOCCO)C1 ZINC001491112025 1130328258 /nfs/dbraw/zinc/32/82/58/1130328258.db2.gz XQXRNCIAFRONNG-SJORKVTESA-N 2 1 337.464 -0.079 20 30 EBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCOCCO)C1 ZINC001491112025 1130328264 /nfs/dbraw/zinc/32/82/64/1130328264.db2.gz XQXRNCIAFRONNG-SJORKVTESA-N 2 1 337.464 -0.079 20 30 EBEDMP CN(C[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001369456063 1134794793 /nfs/dbraw/zinc/79/47/93/1134794793.db2.gz AVCVKPMEKHNJCH-IRXDYDNUSA-N 2 1 346.431 -0.202 20 30 EBEDMP CN(C[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001369456063 1134794797 /nfs/dbraw/zinc/79/47/97/1134794797.db2.gz AVCVKPMEKHNJCH-IRXDYDNUSA-N 2 1 346.431 -0.202 20 30 EBEDMP