smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](C(=O)N1CCO[C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]21)[NH+](C)C ZINC001083195718 771417093 /nfs/dbraw/zinc/41/70/93/771417093.db2.gz KWAWCCNSCZSHPI-GBESFXJTSA-N 2 0 356.470 1.310 20 30 FDEDRP CC1(C)COCCN1CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000328946447 779442715 /nfs/dbraw/zinc/44/27/15/779442715.db2.gz VKKFEBPHYQAAPY-SFHVURJKSA-N 2 0 360.502 1.875 20 30 FDEDRP C=C(C)[C@@H](CO)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001167529411 781805956 /nfs/dbraw/zinc/80/59/56/781805956.db2.gz LECOIBITEZOQIA-HXUWFJFHSA-N 2 0 359.514 1.884 20 30 FDEDRP C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000180874401 788083507 /nfs/dbraw/zinc/08/35/07/788083507.db2.gz BXDNQHQGUKYGCP-DNTCVELPSA-N 2 0 372.469 1.804 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001104873802 794156714 /nfs/dbraw/zinc/15/67/14/794156714.db2.gz GDLMOLYRJMNRBZ-BRWVUGGUSA-N 2 0 352.523 1.093 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnn(C)c3)C2)CC1 ZINC001105061037 795104631 /nfs/dbraw/zinc/10/46/31/795104631.db2.gz ZZZXPDYDKIRWPB-YLJYHZDGSA-N 2 0 371.529 1.340 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C[C@@H]3CCOC3)C2)CC1 ZINC001105062533 795108851 /nfs/dbraw/zinc/10/88/51/795108851.db2.gz WACJOHGMHWOVPW-WSTZPKSXSA-N 2 0 361.530 1.442 20 30 FDEDRP C[NH+]1CC[C@@]2(C1)CCCN(CC#CCN1CCC[C@]3(CC[N@@H+](C)C3)C1)C2 ZINC000660665570 801007454 /nfs/dbraw/zinc/00/74/54/801007454.db2.gz WODDQRUCDDMFRU-FGZHOGPDSA-N 2 0 358.574 1.825 20 30 FDEDRP C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001087456417 810098998 /nfs/dbraw/zinc/09/89/98/810098998.db2.gz VWSJXAKQSDYBDP-HUYLIWGRSA-N 2 0 373.472 1.452 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000419734672 812124654 /nfs/dbraw/zinc/12/46/54/812124654.db2.gz VOZCSXZPLLICFC-LJQANCHMSA-N 2 0 372.513 1.693 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC[C@@H]3CCCO3)[C@@H]2CC)CC1 ZINC001087840139 822559092 /nfs/dbraw/zinc/55/90/92/822559092.db2.gz JKBXPXMNXVSCPX-SLFFLAALSA-N 2 0 361.530 1.870 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cncs3)[C@@H]2CC)CC1 ZINC001087840184 822559305 /nfs/dbraw/zinc/55/93/05/822559305.db2.gz LIORKKMEHLOJQH-ZWKOTPCHSA-N 2 0 360.527 1.957 20 30 FDEDRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000329454292 824805270 /nfs/dbraw/zinc/80/52/70/824805270.db2.gz NWDNIOAKKXQUEK-MRXNPFEDSA-N 2 0 362.518 1.904 20 30 FDEDRP C=C(C)C[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000262295002 824884662 /nfs/dbraw/zinc/88/46/62/824884662.db2.gz MEFFMFSCUJQEKF-FUHWJXTLSA-N 2 0 361.534 1.545 20 30 FDEDRP CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000329933878 825551406 /nfs/dbraw/zinc/55/14/06/825551406.db2.gz BTKAHFBEWSLNCB-SFHVURJKSA-N 2 0 360.502 1.563 20 30 FDEDRP CC(C)C[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000330186418 825711600 /nfs/dbraw/zinc/71/16/00/825711600.db2.gz SBJSCAUEJZJEAA-RTBURBONSA-N 2 0 366.550 1.988 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000330189467 825712682 /nfs/dbraw/zinc/71/26/82/825712682.db2.gz VIMFMUKPHPYRML-RTBURBONSA-N 2 0 364.534 1.908 20 30 FDEDRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000330310794 825892628 /nfs/dbraw/zinc/89/26/28/825892628.db2.gz NNFRAOCZLYTAQX-QRQLOZEOSA-N 2 0 366.550 1.988 20 30 FDEDRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cccc(C#N)c4)CC[C@@H]3C2)C1 ZINC001088199453 827429766 /nfs/dbraw/zinc/42/97/66/827429766.db2.gz OJTBFLLHPQENNB-AQNXPRMDSA-N 2 0 352.482 1.790 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000529309873 829816936 /nfs/dbraw/zinc/81/69/36/829816936.db2.gz YTMIQLBMYHQZMT-IBGZPJMESA-N 2 0 364.534 1.827 20 30 FDEDRP C[NH+]1CCC(CNC(=[NH2+])Nc2cc(F)ccc2F)(N2CCOCC2)CC1 ZINC000263083146 832309116 /nfs/dbraw/zinc/30/91/16/832309116.db2.gz HZMZKDUGFSBZKL-UHFFFAOYSA-N 2 0 367.444 1.488 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105668806 844096871 /nfs/dbraw/zinc/09/68/71/844096871.db2.gz NATFMXCFMMHVON-UKAVVXHISA-N 2 0 363.546 1.708 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105655782 842479296 /nfs/dbraw/zinc/47/92/96/842479296.db2.gz KXQUCGNXRMYINP-VGUOSERISA-N 2 0 363.546 1.564 20 30 FDEDRP C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105658706 842497288 /nfs/dbraw/zinc/49/72/88/842497288.db2.gz IQTSBTVRGXWPFS-JYBIWHBTSA-N 2 0 367.534 1.107 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105660511 842543961 /nfs/dbraw/zinc/54/39/61/842543961.db2.gz VNDJXFRDOUVCSS-HNBVOPMISA-N 2 0 351.535 1.870 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)Nc2ccc(NC3=[NH+]CCN3)c(Cl)c2)CC1 ZINC000899051169 845699024 /nfs/dbraw/zinc/69/90/24/845699024.db2.gz TWUXSUXECZZDIC-UHFFFAOYSA-N 2 0 359.861 1.995 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCOC4CCC4)C[C@H]32)CC1 ZINC001076604391 848552428 /nfs/dbraw/zinc/55/24/28/848552428.db2.gz CDXXOZKLGZGYNV-AZUAARDMSA-N 2 0 359.514 1.433 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)N1CCN(C(=O)C(=C)CC[NH+](C)C)[C@@H](C)[C@@H]1C ZINC000912724915 860087284 /nfs/dbraw/zinc/08/72/84/860087284.db2.gz WWOZUSUIAUKYMY-ROUUACIJSA-N 2 0 364.534 1.450 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000186878787 881535641 /nfs/dbraw/zinc/53/56/41/881535641.db2.gz OFXBTYUIQJTUNR-MRXNPFEDSA-N 2 0 365.522 1.942 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H](OC)C3CCC3)[C@@H]2C)CC1 ZINC001089059159 866381450 /nfs/dbraw/zinc/38/14/50/866381450.db2.gz BMAFCJIXJFGDTJ-UXPWSPDFSA-N 2 0 361.530 1.726 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000914025422 870380118 /nfs/dbraw/zinc/38/01/18/870380118.db2.gz PVCJMBQWPLKUKF-UHFFFAOYSA-N 2 0 358.486 1.524 20 30 FDEDRP C#CCN(C(=O)NCC[N@@H+]1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000914069160 870590982 /nfs/dbraw/zinc/59/09/82/870590982.db2.gz QYRJRXFYYPHJAC-UHFFFAOYSA-N 2 0 354.498 1.784 20 30 FDEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C[C@H]1C ZINC001106144185 871376609 /nfs/dbraw/zinc/37/66/09/871376609.db2.gz TWDOMHNGYYCYRH-AFYVEPGGSA-N 2 0 363.546 1.994 20 30 FDEDRP C#CCN(C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000922201237 873696019 /nfs/dbraw/zinc/69/60/19/873696019.db2.gz JMNRJTSGZIRTPN-KRWDZBQOSA-N 2 0 350.507 1.226 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001106336623 874814935 /nfs/dbraw/zinc/81/49/35/874814935.db2.gz XDUJUUORKJNCOO-BZUAXINKSA-N 2 0 352.523 1.092 20 30 FDEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)COC[C@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001106681027 876550406 /nfs/dbraw/zinc/55/04/06/876550406.db2.gz RCCUQTYLNIBKPH-CEXWTWQISA-N 2 0 367.534 1.374 20 30 FDEDRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[NH2+]Cc2ccccc2C#N)CC1 ZINC001127570675 888819570 /nfs/dbraw/zinc/81/95/70/888819570.db2.gz BNQNRYFAFRDVFX-UXHICEINSA-N 2 0 370.497 1.511 20 30 FDEDRP C#CCN(C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000923356438 889000407 /nfs/dbraw/zinc/00/04/07/889000407.db2.gz RTZOLLOLFUNIKX-HXUWFJFHSA-N 2 0 354.498 2.000 20 30 FDEDRP C#CCN1CCC[C@H](NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000923585594 890014748 /nfs/dbraw/zinc/01/47/48/890014748.db2.gz LOGONDYCIMXRBJ-NRFANRHFSA-N 2 0 369.509 1.718 20 30 FDEDRP COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1C#N ZINC001002852394 894640472 /nfs/dbraw/zinc/64/04/72/894640472.db2.gz PHTVMZAJTHENIJ-DNVCBOLYSA-N 2 0 370.497 1.988 20 30 FDEDRP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127706562 897758747 /nfs/dbraw/zinc/75/87/47/897758747.db2.gz NDLVDINLXFYMJZ-IXDOHACOSA-N 2 0 352.523 1.236 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1cccc(F)c1 ZINC001079189094 902139839 /nfs/dbraw/zinc/13/98/39/902139839.db2.gz DXSCNULVOMOHIZ-RBUKOAKNSA-N 2 0 355.457 1.971 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC001082559757 908612911 /nfs/dbraw/zinc/61/29/11/908612911.db2.gz OLNRNZOGSHEZBO-ZNOIYHFQSA-N 2 0 358.461 1.974 20 30 FDEDRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC001082719629 909817058 /nfs/dbraw/zinc/81/70/58/909817058.db2.gz YBUNRDUIQXJCSS-AUUYWEPGSA-N 2 0 358.461 1.976 20 30 FDEDRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001082742037 909942952 /nfs/dbraw/zinc/94/29/52/909942952.db2.gz OHHNTDIALMKBRV-QMTMVMCOSA-N 2 0 358.461 1.976 20 30 FDEDRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)cc1C#N ZINC001082920141 910891304 /nfs/dbraw/zinc/89/13/04/910891304.db2.gz RPWMBIWWDADTSH-UWWQBHOKSA-N 2 0 356.470 1.455 20 30 FDEDRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001082923634 910937204 /nfs/dbraw/zinc/93/72/04/910937204.db2.gz VBKYEIHKTFZBLF-FUHIMQAGSA-N 2 0 370.497 1.463 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](C[C@H](CC)OC)[C@H]3C2)CC1 ZINC001085100523 920914592 /nfs/dbraw/zinc/91/45/92/920914592.db2.gz KBLAERIOELEFLO-HOJAQTOUSA-N 2 0 361.530 1.679 20 30 FDEDRP C[N@H+](CC1CC[NH+](C)CC1)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000103461850 928961978 /nfs/dbraw/zinc/96/19/78/928961978.db2.gz QRWXRMXJMJVVBJ-UHFFFAOYSA-N 2 0 369.469 1.554 20 30 FDEDRP C[NH+](C)CC#CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC001170994157 945106729 /nfs/dbraw/zinc/10/67/29/945106729.db2.gz WTVJOQKOPHAPNJ-PZJWPPBQSA-N 2 0 355.482 1.206 20 30 FDEDRP C=CCC[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129400725 938415706 /nfs/dbraw/zinc/41/57/06/938415706.db2.gz YUAYNJNYBACYEA-KSZLIROESA-N 2 0 362.522 1.706 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@H]2c2ccccc2)CC1 ZINC001086625077 938509812 /nfs/dbraw/zinc/50/98/12/938509812.db2.gz JTOKGVZCMHNKPO-LEWJYISDSA-N 2 0 369.509 1.562 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001130006020 938623371 /nfs/dbraw/zinc/62/33/71/938623371.db2.gz OWJGQWHRWSXMNR-SQNIBIBYSA-N 2 0 362.522 1.706 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1n1ccnn1 ZINC001130054622 938639740 /nfs/dbraw/zinc/63/97/40/938639740.db2.gz GCNMTWSFKKGBBG-MSOLQXFVSA-N 2 0 360.506 1.318 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1n1ccnn1 ZINC001130089044 938675498 /nfs/dbraw/zinc/67/54/98/938675498.db2.gz WABSRNIHMGRKOY-AEFFLSMTSA-N 2 0 369.473 1.361 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130139772 938711784 /nfs/dbraw/zinc/71/17/84/938711784.db2.gz HMCUXEMNWRRXLL-FGTMMUONSA-N 2 0 360.506 1.316 20 30 FDEDRP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001130306854 938804586 /nfs/dbraw/zinc/80/45/86/938804586.db2.gz ATHAFQAGJUOHEV-XLIONFOSSA-N 2 0 364.534 1.380 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1c1cn(C)cn1 ZINC001130596479 939903352 /nfs/dbraw/zinc/90/33/52/939903352.db2.gz DCLBYMBLWMLCEG-ZIFCJYIRSA-N 2 0 357.502 1.222 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1c1cn(C)cn1 ZINC001130610361 939908004 /nfs/dbraw/zinc/90/80/04/939908004.db2.gz KFWHHVUZFARNSN-CMKODMSKSA-N 2 0 371.529 1.305 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1c1cn(C)cn1 ZINC001130604463 939915622 /nfs/dbraw/zinc/91/56/22/939915622.db2.gz BDHXOCACBAJUJS-QXAKKESOSA-N 2 0 357.502 1.202 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1c1cn(C)cn1 ZINC001130604499 939915679 /nfs/dbraw/zinc/91/56/79/939915679.db2.gz DKYUICHSKIIRNL-QXAKKESOSA-N 2 0 359.518 1.755 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1c1cn(C)cn1 ZINC001130649651 939944868 /nfs/dbraw/zinc/94/48/68/939944868.db2.gz ROSBTRBRRQPOCJ-CMKODMSKSA-N 2 0 371.529 1.449 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130662426 939967879 /nfs/dbraw/zinc/96/78/79/939967879.db2.gz XXMDQZMLKPNDKH-QXAKKESOSA-N 2 0 361.534 1.857 20 30 FDEDRP C=C(Br)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134120799 941572353 /nfs/dbraw/zinc/57/23/53/941572353.db2.gz HQIQHHOLUCITJY-CVEARBPZSA-N 2 0 366.303 1.946 20 30 FDEDRP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000815860252 941996428 /nfs/dbraw/zinc/99/64/28/941996428.db2.gz CSYYDXZTADQBPB-QGZVFWFLSA-N 2 0 372.469 1.082 20 30 FDEDRP NC(=O)c1ccc(C(=[NH2+])Nc2ccc([C@]34CC[NH2+][C@H]3COCC4)cc2)cc1 ZINC001171255519 951647728 /nfs/dbraw/zinc/64/77/28/951647728.db2.gz AYHROIQVWVVDNB-GHTZIAJQSA-N 2 0 364.449 1.843 20 30 FDEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735138 952754259 /nfs/dbraw/zinc/75/42/59/952754259.db2.gz LOQGGPOGRMGQLT-LMNJBCLMSA-N 2 0 361.530 1.986 20 30 FDEDRP COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1C#N ZINC001086874535 952924744 /nfs/dbraw/zinc/92/47/44/952924744.db2.gz HWZRNAKQTRHCLS-JENIJYKNSA-N 2 0 370.497 1.893 20 30 FDEDRP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@]2(C)C1 ZINC001092087693 954242065 /nfs/dbraw/zinc/24/20/65/954242065.db2.gz KMLDRKHYHJBSDZ-QUCCMNQESA-N 2 0 359.518 1.805 20 30 FDEDRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ccc(C#N)c(F)c4)C[C@@]3(C)C2)C1 ZINC001092272287 954654109 /nfs/dbraw/zinc/65/41/09/954654109.db2.gz CQGCVIWUDRNNFL-OPYAIIAOSA-N 2 0 370.472 1.929 20 30 FDEDRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ccccc4C#N)C[C@@]3(C)C2)C1 ZINC001092274032 954659869 /nfs/dbraw/zinc/65/98/69/954659869.db2.gz ZDFYEOGNLPJRRW-ZVDOUQERSA-N 2 0 352.482 1.790 20 30 FDEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccn(CC[NH+](C)C)n3)CCC[C@@H]12 ZINC001094417237 960409017 /nfs/dbraw/zinc/40/90/17/960409017.db2.gz OLDGFFXBOWGTIF-UYAOXDASSA-N 2 0 357.502 1.442 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NCCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001181653734 961032306 /nfs/dbraw/zinc/03/23/06/961032306.db2.gz KQWKRNTUCYMHNG-UHFFFAOYSA-N 2 0 368.525 1.442 20 30 FDEDRP C=C1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001183626523 963198349 /nfs/dbraw/zinc/19/83/49/963198349.db2.gz OYWAZPARXLMZKE-KRWDZBQOSA-N 2 0 353.467 1.403 20 30 FDEDRP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)C#CC1CC[NH2+]CC1 ZINC000852884201 967688238 /nfs/dbraw/zinc/68/82/38/967688238.db2.gz VJORCNVYGHFWSC-SFHVURJKSA-N 2 0 363.502 1.256 20 30 FDEDRP N#C[C@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCCOC1 ZINC000865069329 974057921 /nfs/dbraw/zinc/05/79/21/974057921.db2.gz DFBFDPUHZYJCKG-LJQANCHMSA-N 2 0 357.458 1.030 20 30 FDEDRP N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000848394093 976715713 /nfs/dbraw/zinc/71/57/13/976715713.db2.gz MWYMFJMZZQHNHG-KRWDZBQOSA-N 2 0 358.442 1.945 20 30 FDEDRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884206621 982982436 /nfs/dbraw/zinc/98/24/36/982982436.db2.gz ZRBFYLWGVOQXSF-WCXALAEXSA-N 2 0 373.545 1.143 20 30 FDEDRP CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000884306597 983070801 /nfs/dbraw/zinc/07/08/01/983070801.db2.gz ISNWAJQVNMHKDY-KYBDOYODSA-N 2 0 352.482 1.859 20 30 FDEDRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1 ZINC000884404969 983140360 /nfs/dbraw/zinc/14/03/60/983140360.db2.gz CWRKKUVFPVVZPD-BWOXFYEVSA-N 2 0 368.481 1.396 20 30 FDEDRP C#CCN1CCN(C(=O)C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000859995894 983152834 /nfs/dbraw/zinc/15/28/34/983152834.db2.gz XVPPXGSTSBTESL-UHFFFAOYSA-N 2 0 356.514 1.348 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H](C#N)CCc2ccccc2)C[C@H]1C[NH+](C)C ZINC000870019845 985524063 /nfs/dbraw/zinc/52/40/63/985524063.db2.gz SQKFHLBNKVAVKN-XUVXKRRUSA-N 2 0 356.514 1.957 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH+](C)[C@H]1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NCC=C)CC1 ZINC000886394036 986148361 /nfs/dbraw/zinc/14/83/61/986148361.db2.gz NLXCOSDMZFUWPP-BRSBDYLESA-N 2 0 364.534 1.543 20 30 FDEDRP CC(C)[NH+]1CCC(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000872222893 987524114 /nfs/dbraw/zinc/52/41/14/987524114.db2.gz IASAMMWGTAWPLT-UHFFFAOYSA-N 2 0 364.515 1.827 20 30 FDEDRP Cc1ccc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(C#N)c1 ZINC000872430349 987649722 /nfs/dbraw/zinc/64/97/22/987649722.db2.gz DIJKIFDBPMEPQQ-UHFFFAOYSA-N 2 0 366.531 1.761 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(Cn2cc3c(c(C#N)c2=O)CCCC3)C[C@H]1C[NH+](C)C ZINC000872636654 987891558 /nfs/dbraw/zinc/89/15/58/987891558.db2.gz SOVCWEUDJSINGK-QZTJIDSGSA-N 2 0 371.529 1.227 20 30 FDEDRP Cc1cccc(NC2CCN(CC(=O)N(CCC#N)CCC#N)CC2)n1 ZINC000363230465 989016204 /nfs/dbraw/zinc/01/62/04/989016204.db2.gz HUXBSEKRKMDQCC-UHFFFAOYSA-N 2 0 354.458 1.922 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)CC1 ZINC000370913307 990117033 /nfs/dbraw/zinc/11/70/33/990117033.db2.gz WDSXIKCXXIAEQT-PKOBYXMFSA-N 2 0 357.502 1.264 20 30 FDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000876781655 992907990 /nfs/dbraw/zinc/90/79/90/992907990.db2.gz QAMGOGLHWNAEEM-IAGOWNOFSA-N 2 0 350.894 1.561 20 30 FDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000876782309 992909033 /nfs/dbraw/zinc/90/90/33/992909033.db2.gz VQWSKYFTUULUAC-SFHVURJKSA-N 2 0 364.921 1.910 20 30 FDEDRP CC[NH+](CC)Cc1ccc(CNC(=[NH2+])NCCCN2CCOCC2)cc1 ZINC000264148281 997414235 /nfs/dbraw/zinc/41/42/35/997414235.db2.gz YKSJNUWFCRXHJQ-UHFFFAOYSA-N 2 0 361.534 1.655 20 30 FDEDRP CC[NH+](CC)Cc1cccc(CNC(NCCN2CCOCC2)=[NH+]C)c1 ZINC000265009299 997673185 /nfs/dbraw/zinc/67/31/85/997673185.db2.gz ZXPJEQJCORKSCH-UHFFFAOYSA-N 2 0 361.534 1.526 20 30 FDEDRP C#Cc1ccc(NC(=O)CC[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000930113455 1002832149 /nfs/dbraw/zinc/83/21/49/1002832149.db2.gz LZLBINQEOCOSPQ-UHFFFAOYSA-N 2 0 356.514 1.954 20 30 FDEDRP CC(C)(C)OC(=O)N1CCN2C(NCCC[NH+]3CCCCC3)=[NH+]C[C@H]2C1 ZINC000089120170 1006010128 /nfs/dbraw/zinc/01/01/28/1006010128.db2.gz DTKXIGPLSFJBDR-INIZCTEOSA-N 2 0 365.522 1.743 20 30 FDEDRP C[N@H+](CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)C1CCCC1 ZINC000089120879 1006011543 /nfs/dbraw/zinc/01/15/43/1006011543.db2.gz ONCINDQHMGSVLQ-INIZCTEOSA-N 2 0 365.522 1.741 20 30 FDEDRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]32)CC[N@@H+]1C ZINC000959963817 1009215192 /nfs/dbraw/zinc/21/51/92/1009215192.db2.gz FNEDUOMQKXNWLT-CENDIDJXSA-N 2 0 352.482 1.835 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000303783646 1009581588 /nfs/dbraw/zinc/58/15/88/1009581588.db2.gz OLJBWPHCIKSNGM-UHFFFAOYSA-N 2 0 373.545 1.670 20 30 FDEDRP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000303982249 1009793208 /nfs/dbraw/zinc/79/32/08/1009793208.db2.gz QAHVVQPGLXLSCF-GOSISDBHSA-N 2 0 363.481 1.373 20 30 FDEDRP C[C@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)N1CCSCC1 ZINC000269698112 180364454 /nfs/dbraw/zinc/36/44/54/180364454.db2.gz QDEQBWCAIVINGH-MRXNPFEDSA-N 2 0 358.511 1.640 20 30 FDEDRP C[NH+](C)CCNC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000171657335 258268126 /nfs/dbraw/zinc/26/81/26/258268126.db2.gz GBPPAKSIASRORN-UHFFFAOYSA-N 2 0 371.485 1.277 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000553326846 543609938 /nfs/dbraw/zinc/60/99/38/543609938.db2.gz GLFWVYBGUYKFLD-WBVHZDCISA-N 2 0 350.507 1.084 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000557767450 544343961 /nfs/dbraw/zinc/34/39/61/544343961.db2.gz NSHQYXNQLMJASC-IRXDYDNUSA-N 2 0 350.507 1.132 20 30 FDEDRP C[C@@H]1C[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000333872844 259388664 /nfs/dbraw/zinc/38/86/64/259388664.db2.gz UWIQQQVGQJHARD-APWZRJJASA-N 2 0 355.486 1.916 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000178727322 525471622 /nfs/dbraw/zinc/47/16/22/525471622.db2.gz WJBSUMPKLVUCLR-MOPGFXCFSA-N 2 0 364.534 1.704 20 30 FDEDRP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000164707621 525526735 /nfs/dbraw/zinc/52/67/35/525526735.db2.gz YMYOZTZTUNCRGB-GOSISDBHSA-N 2 0 360.527 1.886 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000170910659 525765657 /nfs/dbraw/zinc/76/56/57/525765657.db2.gz DHEMDUZLBNFCQF-UHFFFAOYSA-N 2 0 373.545 1.396 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000266696714 536922801 /nfs/dbraw/zinc/92/28/01/536922801.db2.gz MCGUNEDVVMIANI-UHFFFAOYSA-N 2 0 358.486 1.496 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](CC)CC1)C(C)C ZINC000283271182 537363644 /nfs/dbraw/zinc/36/36/44/537363644.db2.gz CHUUJLUQCADVPA-SFHVURJKSA-N 2 0 364.534 1.402 20 30 FDEDRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000292218106 537718205 /nfs/dbraw/zinc/71/82/05/537718205.db2.gz OWTNJFPBZXJAND-IBGZPJMESA-N 2 0 357.502 1.822 20 30 FDEDRP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000371821687 537832841 /nfs/dbraw/zinc/83/28/41/537832841.db2.gz CATVAEZHQAZOON-LJQANCHMSA-N 2 0 362.562 1.925 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C[NH2+]CC)c2)CC1 ZINC000414818898 537921159 /nfs/dbraw/zinc/92/11/59/537921159.db2.gz XBASVQKYEGLAAH-UHFFFAOYSA-N 2 0 358.486 1.891 20 30 FDEDRP CC[NH+]1CCC(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000573439503 550137872 /nfs/dbraw/zinc/13/78/72/550137872.db2.gz TYCILLJDBSUIOZ-UHFFFAOYSA-N 2 0 350.488 1.439 20 30 FDEDRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593714493 552180896 /nfs/dbraw/zinc/18/08/96/552180896.db2.gz XUTYEIUANOTQFO-HNAYVOBHSA-N 2 0 355.486 1.820 20 30 FDEDRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593722818 552182607 /nfs/dbraw/zinc/18/26/07/552182607.db2.gz ZDXKJXYNBVFOJU-CRAIPNDOSA-N 2 0 355.486 1.901 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[NH2+]CCC3(F)F)CC2)c1 ZINC000593919569 552225618 /nfs/dbraw/zinc/22/56/18/552225618.db2.gz YRNOTKATAYLUKC-QGZVFWFLSA-N 2 0 362.424 1.884 20 30 FDEDRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594439819 552310825 /nfs/dbraw/zinc/31/08/25/552310825.db2.gz VMICMTKUPMEOTF-LJQANCHMSA-N 2 0 357.502 1.461 20 30 FDEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000594439874 552311003 /nfs/dbraw/zinc/31/10/03/552311003.db2.gz VPMZSVRHBXHCJL-LJQANCHMSA-N 2 0 357.502 1.332 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC2)c1 ZINC000594524949 552327683 /nfs/dbraw/zinc/32/76/83/552327683.db2.gz NWQSMHTTZIOBMI-HNNXBMFYSA-N 2 0 369.391 1.711 20 30 FDEDRP C[NH+](C)[C@H]1C[C@@H](CNc2ccc(C#N)c(NC[C@H]3C[C@@H]([NH+](C)C)C3)n2)C1 ZINC000594592301 552338369 /nfs/dbraw/zinc/33/83/69/552338369.db2.gz PSQLVKOCVNIWEV-MGXPFYOESA-N 2 0 356.518 2.457 20 30 FDEDRP C[C@H]1CC[C@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[NH2+]1 ZINC000599921908 553174856 /nfs/dbraw/zinc/17/48/56/553174856.db2.gz FERFTFKVVSAWTP-KXBFYZLASA-N 2 0 355.486 1.962 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1 ZINC000602659653 553619998 /nfs/dbraw/zinc/61/99/98/553619998.db2.gz QDMRHSVNYRUOGY-UHFFFAOYSA-N 2 0 355.486 1.767 20 30 FDEDRP C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000609166852 554345459 /nfs/dbraw/zinc/34/54/59/554345459.db2.gz GGCLMLDZDYEMDI-IBGZPJMESA-N 2 0 357.502 1.988 20 30 FDEDRP C[NH+]=C(NC[C@H](C)N1CC[NH+](C)CC1)N1CCSC2(CCCCC2)C1 ZINC000261723873 672658730 /nfs/dbraw/zinc/65/87/30/672658730.db2.gz IQOZBSBDDVACSD-KRWDZBQOSA-N 2 0 367.607 1.949 20 30 FDEDRP CC[NH+]=C(NC[C@H](C)N1CC[NH+](C)CC1)N1CCS[C@H](C(C)C)C1 ZINC000261833175 672680238 /nfs/dbraw/zinc/68/02/38/672680238.db2.gz VSYRRJWFTPFFHD-IRXDYDNUSA-N 2 0 355.596 1.661 20 30 FDEDRP C[NH+]=C(NC[C@@H]1COCCO1)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000262339731 672773153 /nfs/dbraw/zinc/77/31/53/672773153.db2.gz FZJUAFXAHDBNAX-ZMSDIMECSA-N 2 0 366.531 1.711 20 30 FDEDRP C[NH+]=C(NCC1([NH+]2CCC(OC)CC2)CCCC1)N1CCC(O)CC1 ZINC000262771723 672846895 /nfs/dbraw/zinc/84/68/95/672846895.db2.gz HXZNMPDWUPSAQA-UHFFFAOYSA-N 2 0 352.523 1.442 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(CS(C)(=O)=O)cc1 ZINC000264076466 672900183 /nfs/dbraw/zinc/90/01/83/672900183.db2.gz FXPKLIRCIXZVHA-MRXNPFEDSA-N 2 0 352.504 1.120 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccncc1OCC(F)(F)F ZINC000280887620 675467149 /nfs/dbraw/zinc/46/71/49/675467149.db2.gz BNXSJCZVLZGRBJ-ZDUSSCGKSA-N 2 0 359.396 1.911 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NCCC[NH+]2CCCCCC2)CC1 ZINC000303784876 676543125 /nfs/dbraw/zinc/54/31/25/676543125.db2.gz PUSZLJLXYHDNOV-UHFFFAOYSA-N 2 0 353.511 1.778 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000303885913 676543425 /nfs/dbraw/zinc/54/34/25/676543425.db2.gz NMPGQWNBLVUGJX-OAHLLOKOSA-N 2 0 353.511 1.632 20 30 FDEDRP O=C(NC1CC[NH+](C2CC2)CC1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330182156 676677058 /nfs/dbraw/zinc/67/70/58/676677058.db2.gz ORQYCBCTUBGCBZ-QZTJIDSGSA-N 2 0 350.507 1.495 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)C(C)C ZINC000419574642 680281231 /nfs/dbraw/zinc/28/12/31/680281231.db2.gz VCLLXAMGNGOIOF-IRXDYDNUSA-N 2 0 350.507 1.060 20 30 FDEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104291560 773841776 /nfs/dbraw/zinc/84/17/76/773841776.db2.gz OQPFQDLXGQCKGX-VAMGGRTRSA-N 2 0 363.546 1.973 20 30 FDEDRP C=C/C(=[NH+]\COC)n1cc(CC[NH3+])c2cc(CS(=O)(=O)NC)ccc21 ZINC001167526618 781784501 /nfs/dbraw/zinc/78/45/01/781784501.db2.gz IPBABGSMYVVOTI-LVZFUZTISA-N 2 0 364.471 1.228 20 30 FDEDRP C#C[C@H]1CCCCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000892545384 787174243 /nfs/dbraw/zinc/17/42/43/787174243.db2.gz VUGBZOYPXQEYNV-SFHVURJKSA-N 2 0 355.486 1.791 20 30 FDEDRP C=CCC[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001105242819 795531856 /nfs/dbraw/zinc/53/18/56/795531856.db2.gz JYRZOHXLXUGYRV-IIDMSEBBSA-N 2 0 360.506 1.446 20 30 FDEDRP C=CC[C@@]1(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CCC[NH2+]1 ZINC000662748471 803008566 /nfs/dbraw/zinc/00/85/66/803008566.db2.gz VSPRXTCCZYZMNM-NRFANRHFSA-N 2 0 357.498 1.958 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC#CC)C2)CC1 ZINC001211730279 809674735 /nfs/dbraw/zinc/67/47/35/809674735.db2.gz SRVAFWIUYRFUNG-FCHUYYIVSA-N 2 0 363.505 1.939 20 30 FDEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112122546 810106631 /nfs/dbraw/zinc/10/66/31/810106631.db2.gz TXODTAAYBBEKSI-KFWWJZLASA-N 2 0 363.424 1.652 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C(C)C ZINC000424450513 815357138 /nfs/dbraw/zinc/35/71/38/815357138.db2.gz ANUAOEATWAPJHM-IPMKNSEASA-N 2 0 374.533 1.555 20 30 FDEDRP COc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1C#N ZINC001028550376 810621965 /nfs/dbraw/zinc/62/19/65/810621965.db2.gz OPOGRTQMLXQGIF-HHXXYDBFSA-N 2 0 370.497 1.845 20 30 FDEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](CC)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000262603080 811506995 /nfs/dbraw/zinc/50/69/95/811506995.db2.gz ZCLMOWXJQNRGPZ-INIZCTEOSA-N 2 0 361.490 1.345 20 30 FDEDRP CC(C)CNC(=O)NC(=O)[C@H](C)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000330623477 819629208 /nfs/dbraw/zinc/62/92/08/819629208.db2.gz PQCCYSWDLJJOCL-HOTGVXAUSA-N 2 0 367.538 1.161 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)[C@@H]2CC)CC1 ZINC001087840252 822559229 /nfs/dbraw/zinc/55/92/29/822559229.db2.gz ODSGBWORNFPBBW-VQTJNVASSA-N 2 0 354.498 1.896 20 30 FDEDRP C[C@@H](CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)CN1CCOCC1 ZINC000330204362 825731669 /nfs/dbraw/zinc/73/16/69/825731669.db2.gz BNRZGFUUPURXED-DLBZAZTESA-N 2 0 368.522 1.054 20 30 FDEDRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)C1 ZINC001088200039 827433464 /nfs/dbraw/zinc/43/34/64/827433464.db2.gz MVAZRGDMRVHIKG-AQNXPRMDSA-N 2 0 352.482 1.790 20 30 FDEDRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccc(C#N)cc4F)CC[C@@H]3C2)C1 ZINC001088200320 827434696 /nfs/dbraw/zinc/43/46/96/827434696.db2.gz XZAKOEUNOUEZHM-QRQLOZEOSA-N 2 0 370.472 1.929 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1nc(C#N)cs1 ZINC000897293489 827766363 /nfs/dbraw/zinc/76/63/63/827766363.db2.gz ZGQWVYLBWNBXDQ-HNNXBMFYSA-N 2 0 364.519 1.572 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1cccc(C)c1)N1CCOCC1 ZINC000104166698 827839145 /nfs/dbraw/zinc/83/91/45/827839145.db2.gz DLPBTBXDZJPKDI-UXHICEINSA-N 2 0 373.545 1.757 20 30 FDEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(NCCc2ccco2)=[NH+]C2CC2)CC1 ZINC000262686703 830153237 /nfs/dbraw/zinc/15/32/37/830153237.db2.gz VDZWNTFRFKUPPC-GOSISDBHSA-N 2 0 373.501 1.169 20 30 FDEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105660414 842539831 /nfs/dbraw/zinc/53/98/31/842539831.db2.gz UXPGVBKILCVWID-AHCXZYCDSA-N 2 0 357.926 1.657 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000478017382 843508838 /nfs/dbraw/zinc/50/88/38/843508838.db2.gz SPTHQJCRACCUSD-UZLBHIALSA-N 2 0 364.534 1.380 20 30 FDEDRP C=C(C)C[C@@H](NC(C)=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000667680910 845324762 /nfs/dbraw/zinc/32/47/62/845324762.db2.gz VUMGVNUWJFHAKN-LJQANCHMSA-N 2 0 373.501 1.181 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC4CC(F)(F)C4)C[C@H]32)CC1 ZINC001076605773 848556733 /nfs/dbraw/zinc/55/67/33/848556733.db2.gz SIHHWSAZGANJRO-ZWKOTPCHSA-N 2 0 365.468 1.910 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@@H]1NC(=O)C(=C)CC[NH+](C)C ZINC000907731725 854580126 /nfs/dbraw/zinc/58/01/26/854580126.db2.gz HQHMEXDYIVKVLC-IRXDYDNUSA-N 2 0 350.507 1.156 20 30 FDEDRP C=C(C)Cn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000669334390 863000625 /nfs/dbraw/zinc/00/06/25/863000625.db2.gz DZZNBQJSJMMRQO-KSZLIROESA-N 2 0 374.533 1.920 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000916653571 881983390 /nfs/dbraw/zinc/98/33/90/881983390.db2.gz MUCWFTPQUQJABN-UHFFFAOYSA-N 2 0 372.513 1.914 20 30 FDEDRP C#CCN(C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000913988815 870245604 /nfs/dbraw/zinc/24/56/04/870245604.db2.gz OLZUSYHDQXTBLF-IRXDYDNUSA-N 2 0 350.507 1.225 20 30 FDEDRP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106622524 876248473 /nfs/dbraw/zinc/24/84/73/876248473.db2.gz CWWREWVQJJDQEZ-IAGOWNOFSA-N 2 0 352.523 1.047 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000922264930 877194179 /nfs/dbraw/zinc/19/41/79/877194179.db2.gz YMYXQWWXPOWMBG-IBGZPJMESA-N 2 0 354.498 1.905 20 30 FDEDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)c3ccc(C#N)cc3)cn2)CC1 ZINC000763241462 878296373 /nfs/dbraw/zinc/29/63/73/878296373.db2.gz MJEDHHCFPJILAM-IBGZPJMESA-N 2 0 351.454 1.528 20 30 FDEDRP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276780 887736797 /nfs/dbraw/zinc/73/67/97/887736797.db2.gz UWBAIOXIWZTVJV-SJORKVTESA-N 2 0 362.522 1.564 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000923375507 889044474 /nfs/dbraw/zinc/04/44/74/889044474.db2.gz NHONJFAEMWGCLI-GGPKGHCWSA-N 2 0 359.470 1.516 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000921886120 892536775 /nfs/dbraw/zinc/53/67/75/892536775.db2.gz WTRHQVUZPOXUCR-FQEVSTJZSA-N 2 0 370.497 1.150 20 30 FDEDRP CC#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001079147013 901970023 /nfs/dbraw/zinc/97/00/23/901970023.db2.gz RXEUABLURJQIKN-XUVXKRRUSA-N 2 0 355.482 1.035 20 30 FDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079260568 902297307 /nfs/dbraw/zinc/29/73/07/902297307.db2.gz CFLYJDDMKYGPTC-CEXWTWQISA-N 2 0 361.530 1.986 20 30 FDEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](OC)C1 ZINC001082132911 905929181 /nfs/dbraw/zinc/92/91/81/905929181.db2.gz XGIQIPGSYZTVAW-MDZRGWNJSA-N 2 0 355.498 1.981 20 30 FDEDRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C)cc1C#N ZINC001082595881 908932472 /nfs/dbraw/zinc/93/24/72/908932472.db2.gz JPHQHDKUKZIPFF-LZQZEXGQSA-N 2 0 370.497 1.988 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001082596137 908934181 /nfs/dbraw/zinc/93/41/81/908934181.db2.gz XEZXDNMPNWSTGT-LZQZEXGQSA-N 2 0 370.497 1.988 20 30 FDEDRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2C)cc1C#N ZINC001082741805 909941198 /nfs/dbraw/zinc/94/11/98/909941198.db2.gz DFKHXHWUCCUTAX-FRQCXROJSA-N 2 0 370.497 1.845 20 30 FDEDRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001082863296 910528315 /nfs/dbraw/zinc/52/83/15/910528315.db2.gz ZBULOMAQDYKTCC-RDTXWAMCSA-N 2 0 356.445 1.730 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](C[C@@H]4CCCCO4)C[C@H]32)CC1 ZINC001084851162 917658748 /nfs/dbraw/zinc/65/87/48/917658748.db2.gz PLKKFLGWWRHGEK-HSALFYBXSA-N 2 0 359.514 1.433 20 30 FDEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H](C)CC(=O)N(CC)CC)CC1 ZINC001169486845 928702289 /nfs/dbraw/zinc/70/22/89/928702289.db2.gz MMHBSGMZGHAYTJ-IBGZPJMESA-N 2 0 350.551 1.925 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1n1ccnn1 ZINC001129910518 938550191 /nfs/dbraw/zinc/55/01/91/938550191.db2.gz WTOJUFYWHSFDAN-SJORKVTESA-N 2 0 358.490 1.072 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1n1ccnn1 ZINC001129943399 938580153 /nfs/dbraw/zinc/58/01/53/938580153.db2.gz ZGTBQCDUUOAAEX-SJORKVTESA-N 2 0 360.506 1.318 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001130030611 938631995 /nfs/dbraw/zinc/63/19/95/938631995.db2.gz IUKDKEZODCWHDF-MSOLQXFVSA-N 2 0 360.506 1.318 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1n1ccnn1 ZINC001130054706 938640020 /nfs/dbraw/zinc/64/00/20/938640020.db2.gz LNEGJZCENVBVQP-MSOLQXFVSA-N 2 0 360.506 1.318 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001130046077 938645266 /nfs/dbraw/zinc/64/52/66/938645266.db2.gz GKQANVACZBKWPL-SQNIBIBYSA-N 2 0 362.522 1.562 20 30 FDEDRP C=CCCCCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130081609 938662923 /nfs/dbraw/zinc/66/29/23/938662923.db2.gz XJQDPLYRUQRREN-MSOLQXFVSA-N 2 0 362.522 1.708 20 30 FDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130096666 938680908 /nfs/dbraw/zinc/68/09/08/938680908.db2.gz OWJNOPPMEAOFAQ-KURKYZTESA-N 2 0 362.522 1.706 20 30 FDEDRP C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001130302317 938800916 /nfs/dbraw/zinc/80/09/16/938800916.db2.gz VAGFMNFPCJSHOD-AOIWGVFYSA-N 2 0 364.534 1.378 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1c1cn(C)cn1 ZINC001130628270 939927325 /nfs/dbraw/zinc/92/73/25/939927325.db2.gz IDBWBLJNKWYUKH-PKOBYXMFSA-N 2 0 362.437 1.289 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1c1cn(C)cn1 ZINC001130721344 940025098 /nfs/dbraw/zinc/02/50/98/940025098.db2.gz CIBPFQHXHDUXBZ-HQRMLTQVSA-N 2 0 357.502 1.366 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1c1cncn1C ZINC001131007844 940434552 /nfs/dbraw/zinc/43/45/52/940434552.db2.gz NSLIXVDLQDWERQ-ZHALLVOQSA-N 2 0 359.518 1.611 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1c1cncn1C ZINC001131071899 940484977 /nfs/dbraw/zinc/48/49/77/940484977.db2.gz BVSSORUKYXVBIO-IAGOWNOFSA-N 2 0 359.518 1.612 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1c1cncn1C ZINC001131072110 940485062 /nfs/dbraw/zinc/48/50/62/940485062.db2.gz JXPNTQUXPLNQAA-IAGOWNOFSA-N 2 0 357.502 1.059 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@H]1c1cncn1C ZINC001131092014 940495950 /nfs/dbraw/zinc/49/59/50/940495950.db2.gz WUYWELMWLRTWPV-LMMKCTJWSA-N 2 0 359.518 1.304 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1c1cncn1C ZINC001131096279 940497233 /nfs/dbraw/zinc/49/72/33/940497233.db2.gz BHDBSHWAEKZJTJ-QZTJIDSGSA-N 2 0 357.502 1.059 20 30 FDEDRP C#C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1CCOCC1 ZINC000823190741 945537425 /nfs/dbraw/zinc/53/74/25/945537425.db2.gz INLKTOJMRQBTHL-GOSISDBHSA-N 2 0 352.523 1.330 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1c1ccc(OC)cc1 ZINC001090874507 947528487 /nfs/dbraw/zinc/52/84/87/947528487.db2.gz KMHTWTLVGBMODH-ZCNNSNEGSA-N 2 0 355.482 1.553 20 30 FDEDRP Cn1cncc1CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000845200881 948849151 /nfs/dbraw/zinc/84/91/51/948849151.db2.gz ISYQSACXKQPXNC-UHFFFAOYSA-N 2 0 352.442 1.756 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nonc3C)C2)CC1 ZINC001086882554 952914300 /nfs/dbraw/zinc/91/43/00/952914300.db2.gz WYMDQJXEQHZBQR-DOTOQJQBSA-N 2 0 359.474 1.098 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1cnn(C)c1 ZINC001086985782 953003766 /nfs/dbraw/zinc/00/37/66/953003766.db2.gz DNUNYYKXUCVBMP-ZWKOTPCHSA-N 2 0 357.502 1.509 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001087000773 953051831 /nfs/dbraw/zinc/05/18/31/953051831.db2.gz NEMYILWCDJNWBP-OTWHNJEPSA-N 2 0 359.518 1.753 20 30 FDEDRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001087101168 953272136 /nfs/dbraw/zinc/27/21/36/953272136.db2.gz WWSNLFTXFSESIV-XUVXKRRUSA-N 2 0 370.497 1.463 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3ocnc3C)C[C@H]2C)CC1 ZINC001093224336 957853448 /nfs/dbraw/zinc/85/34/48/957853448.db2.gz QWQBNJJHTOLERH-CRAIPNDOSA-N 2 0 358.486 1.512 20 30 FDEDRP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001093466712 958211464 /nfs/dbraw/zinc/21/14/64/958211464.db2.gz PBZQQWBLISDWKG-QCFAMHMHSA-N 2 0 363.546 1.870 20 30 FDEDRP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C(C)C)C[C@H]1O ZINC001093453027 958261864 /nfs/dbraw/zinc/26/18/64/958261864.db2.gz SEMSEUHPAAWBLB-MLYOOKFZSA-N 2 0 361.530 1.767 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001094221014 960046994 /nfs/dbraw/zinc/04/69/94/960046994.db2.gz KSCIYIUNCORTQF-VQIMIIECSA-N 2 0 370.497 1.847 20 30 FDEDRP C#C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCO1 ZINC000773260388 960116037 /nfs/dbraw/zinc/11/60/37/960116037.db2.gz QTSMVQSXJKACFJ-RTBURBONSA-N 2 0 371.485 1.074 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3nncs3)[C@H](C)C2)CC1 ZINC001094239786 960158108 /nfs/dbraw/zinc/15/81/08/960158108.db2.gz CJLDMNVZPINDNA-GDBMZVCRSA-N 2 0 361.515 1.067 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCCOC3)[C@H](C)C2)CC1 ZINC001094240350 960159365 /nfs/dbraw/zinc/15/93/65/960159365.db2.gz UIAPRLXIUXCEOM-WSTZPKSXSA-N 2 0 361.530 1.442 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3cnccn3)[C@H](C)C2)CC1 ZINC001094240354 960159689 /nfs/dbraw/zinc/15/96/89/960159689.db2.gz UJQRQLPNPRCZRJ-ZIFCJYIRSA-N 2 0 369.513 1.567 20 30 FDEDRP CC[NH+](CC)CCN(CC[NH3+])[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172968907 961853593 /nfs/dbraw/zinc/85/35/93/961853593.db2.gz AGQFPSADXYFANO-IRXDYDNUSA-N 2 0 367.538 1.881 20 30 FDEDRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)C[C@H]1C#N ZINC001172975659 961860866 /nfs/dbraw/zinc/86/08/66/961860866.db2.gz JCJVKOGDBLTQSZ-SJORKVTESA-N 2 0 366.506 1.572 20 30 FDEDRP CC(C)(C)OC(=O)N1CC[C@H](N2CC[NH+](CCCC[NH3+])CC2)C[C@H]1C#N ZINC001172980210 961864255 /nfs/dbraw/zinc/86/42/55/961864255.db2.gz VIQIEKTWFGZOCL-IRXDYDNUSA-N 2 0 365.522 1.635 20 30 FDEDRP COCC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001177328148 963767273 /nfs/dbraw/zinc/76/72/73/963767273.db2.gz ATOOPZOZHIFPSK-UYAOXDASSA-N 2 0 363.546 1.975 20 30 FDEDRP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001188956784 966671799 /nfs/dbraw/zinc/67/17/99/966671799.db2.gz MUWPLVGBPAZIBG-AZUAARDMSA-N 2 0 370.497 1.963 20 30 FDEDRP N#C[C@@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCCOC1 ZINC000865069327 974057618 /nfs/dbraw/zinc/05/76/18/974057618.db2.gz DFBFDPUHZYJCKG-IBGZPJMESA-N 2 0 357.458 1.030 20 30 FDEDRP CC[NH+]1CCC(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)CC1 ZINC000849087354 977308708 /nfs/dbraw/zinc/30/87/08/977308708.db2.gz ANUWLODBTHAPOZ-MRXNPFEDSA-N 2 0 365.522 1.599 20 30 FDEDRP C[C@@H]1C[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[N@@H+]1Cc1ccccc1 ZINC000884228759 983003238 /nfs/dbraw/zinc/00/32/38/983003238.db2.gz YLMDXVUYQDVRTQ-WJXBRQKSSA-N 2 0 352.482 1.905 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884314377 983076660 /nfs/dbraw/zinc/07/66/60/983076660.db2.gz HSRMXCDFSXOEBM-OPTGKZCPSA-N 2 0 352.482 1.762 20 30 FDEDRP C#CCN1CCC[C@@H](NC(=O)NCc2cc(C)nc(N3CCCC3)c2)C1 ZINC000884361146 983114040 /nfs/dbraw/zinc/11/40/40/983114040.db2.gz NDYZMUSOAILKFI-GOSISDBHSA-N 2 0 355.486 1.887 20 30 FDEDRP C#CCCOc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000870017426 985518180 /nfs/dbraw/zinc/51/81/80/985518180.db2.gz NKFXFCVFWLQKMK-RTBURBONSA-N 2 0 357.498 1.900 20 30 FDEDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)cc1 ZINC000876505897 992671081 /nfs/dbraw/zinc/67/10/81/992671081.db2.gz CIMBOOIFMNHBDY-PMACEKPBSA-N 2 0 363.465 1.627 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000876719307 992830734 /nfs/dbraw/zinc/83/07/34/992830734.db2.gz IAXPINJADBJQTM-AZUAARDMSA-N 2 0 368.481 1.505 20 30 FDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000876747037 992866430 /nfs/dbraw/zinc/86/64/30/992866430.db2.gz STJJYNYKDLDMEV-LBPRGKRZSA-N 2 0 352.822 1.565 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)C(C)C ZINC000470897906 994181301 /nfs/dbraw/zinc/18/13/01/994181301.db2.gz AAJAJFRQDLUQDV-GOSISDBHSA-N 2 0 366.550 1.783 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000264069112 997395905 /nfs/dbraw/zinc/39/59/05/997395905.db2.gz FUDYWZSZQSKFEU-FQEVSTJZSA-N 3 0 372.561 1.323 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCC(=O)N1Cc2ccccc2C1 ZINC000267432905 999334557 /nfs/dbraw/zinc/33/45/57/999334557.db2.gz MYFRIRBMSOKJQG-SFHVURJKSA-N 2 0 357.502 1.698 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1cccc(OCC#N)c1 ZINC000270445930 999559793 /nfs/dbraw/zinc/55/97/93/999559793.db2.gz BFWZALNDHMMLDP-UHFFFAOYSA-N 2 0 360.502 1.863 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)CC1 ZINC000928654732 1001611297 /nfs/dbraw/zinc/61/12/97/1001611297.db2.gz AXJSZTYPUGQDOX-UHFFFAOYSA-N 2 0 354.498 1.656 20 30 FDEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001111038991 1005127142 /nfs/dbraw/zinc/12/71/42/1005127142.db2.gz UKTYQMCDBKDLEN-MKXGPGLRSA-N 2 0 365.518 1.411 20 30 FDEDRP C[C@@H]1C[NH+](Cc2ccc(CNC(=[NH2+])NC[C@@H]3CCCO3)cc2)C[C@@H](C)O1 ZINC000303263271 1008784831 /nfs/dbraw/zinc/78/48/31/1008784831.db2.gz QUMHEVWGFFZQSE-MDZRGWNJSA-N 2 0 360.502 1.879 20 30 FDEDRP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001114859547 1009562134 /nfs/dbraw/zinc/56/21/34/1009562134.db2.gz RJOGOKGVCRFCEK-MJCUULBUSA-N 2 0 369.509 1.581 20 30 FDEDRP CC(C)(CNC(=[NH2+])NCCCN1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000303885259 1009673146 /nfs/dbraw/zinc/67/31/46/1009673146.db2.gz JOIUIFQPKBXSCC-UHFFFAOYSA-N 2 0 373.545 1.450 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000303909793 1009688203 /nfs/dbraw/zinc/68/82/03/1009688203.db2.gz YMUYYWHBNBGHAW-GOSISDBHSA-N 3 0 373.549 1.112 20 30 FDEDRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH+]=C(NCc1ccccc1)N(C)C ZINC000303972086 1009783027 /nfs/dbraw/zinc/78/30/27/1009783027.db2.gz FMQJWWQNYFPFDK-GOSISDBHSA-N 2 0 359.518 1.637 20 30 FDEDRP C#Cc1cccc(NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000193861973 1011092020 /nfs/dbraw/zinc/09/20/20/1011092020.db2.gz DCOLOLVRHNKBCY-UHFFFAOYSA-N 2 0 358.486 1.338 20 30 FDEDRP C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512288088 538971073 /nfs/dbraw/zinc/97/10/73/538971073.db2.gz YGVVPGJURQRGSZ-DYESRHJHSA-N 2 0 370.497 1.985 20 30 FDEDRP N#Cc1cccc(S(=O)(=O)CC[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000514602846 539014828 /nfs/dbraw/zinc/01/48/28/539014828.db2.gz GHCNHVNBFFXFPQ-KRWDZBQOSA-N 2 0 365.499 1.158 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000530233628 539916698 /nfs/dbraw/zinc/91/66/98/539916698.db2.gz ZDHLXDGKAGQHBB-VAMGGRTRSA-N 2 0 373.497 1.655 20 30 FDEDRP C=CC[C@H](CO)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000539312539 540945270 /nfs/dbraw/zinc/94/52/70/540945270.db2.gz QWLDRQJVAIPCKV-KRWDZBQOSA-N 2 0 361.490 1.078 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000550322619 543068237 /nfs/dbraw/zinc/06/82/37/543068237.db2.gz HGYZFMKBCUEMLL-UHFFFAOYSA-N 2 0 350.507 1.134 20 30 FDEDRP CN(C)c1cc(C#N)cc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000550713942 543157033 /nfs/dbraw/zinc/15/70/33/543157033.db2.gz MFYIAHZXWMSTCE-UHFFFAOYSA-N 2 0 357.502 1.722 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000557731211 544337321 /nfs/dbraw/zinc/33/73/21/544337321.db2.gz COMUJHKPOHUMEO-KRWDZBQOSA-N 2 0 364.534 1.237 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000557769805 544344575 /nfs/dbraw/zinc/34/45/75/544344575.db2.gz SRESCDMINQZCBQ-IAGOWNOFSA-N 2 0 364.534 1.380 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000559328839 544645499 /nfs/dbraw/zinc/64/54/99/544645499.db2.gz IWEKTZQFNMAXQZ-UHFFFAOYSA-N 2 0 350.507 1.178 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000559793577 544800710 /nfs/dbraw/zinc/80/07/10/544800710.db2.gz GBZGCZTUEGXCJR-CALCHBBNSA-N 2 0 364.534 1.237 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)CC1 ZINC000074132444 522688159 /nfs/dbraw/zinc/68/81/59/522688159.db2.gz ZSJRKKMROAZYSF-LJQANCHMSA-N 3 0 365.566 1.694 20 30 FDEDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000157190902 524225246 /nfs/dbraw/zinc/22/52/46/524225246.db2.gz SUSBSQNVHRCKRA-UHFFFAOYSA-N 2 0 358.895 1.326 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000159336155 524644117 /nfs/dbraw/zinc/64/41/17/524644117.db2.gz JDFYYBMKPRBWLJ-QGZVFWFLSA-N 2 0 364.534 1.381 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNc1ccc(C#N)cc1 ZINC000129868432 525698171 /nfs/dbraw/zinc/69/81/71/525698171.db2.gz RKBZRMYWTSCXNA-IBGZPJMESA-N 2 0 357.502 1.845 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000247288336 537104143 /nfs/dbraw/zinc/10/41/43/537104143.db2.gz SYCFYAYXDQHRGG-YLJYHZDGSA-N 2 0 354.498 1.753 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000264106120 537137720 /nfs/dbraw/zinc/13/77/20/537137720.db2.gz PLRAGSCMAZWWOZ-HXUWFJFHSA-N 2 0 373.545 1.784 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000333358080 537347919 /nfs/dbraw/zinc/34/79/19/537347919.db2.gz KQCJCSNPHZHBNS-MSOLQXFVSA-N 2 0 350.507 1.565 20 30 FDEDRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H]([NH3+])CCCC#N)CC2)c1 ZINC000563056407 546374391 /nfs/dbraw/zinc/37/43/91/546374391.db2.gz ICAKXLJPYMGUFT-IBGZPJMESA-N 2 0 357.502 1.645 20 30 FDEDRP C[C@@H]1CN(CCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCCO1 ZINC000572114523 549845083 /nfs/dbraw/zinc/84/50/83/549845083.db2.gz ZEKJJFIZESBTDO-MRXNPFEDSA-N 2 0 365.499 1.422 20 30 FDEDRP C[N@@H+]1CCCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593509720 552119402 /nfs/dbraw/zinc/11/94/02/552119402.db2.gz PCEWSTOHYDWDIN-UHFFFAOYSA-N 2 0 355.486 1.870 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC3CC[NH2+]CC3)CC2)c1 ZINC000593711670 552180205 /nfs/dbraw/zinc/18/02/05/552180205.db2.gz CMSUTDLIZKKPSE-UHFFFAOYSA-N 2 0 355.486 1.821 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[NH2+]CCC3(F)F)CC2)c1 ZINC000593919568 552225548 /nfs/dbraw/zinc/22/55/48/552225548.db2.gz YRNOTKATAYLUKC-KRWDZBQOSA-N 2 0 362.424 1.884 20 30 FDEDRP Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000595109769 552453980 /nfs/dbraw/zinc/45/39/80/552453980.db2.gz OKFXZTZIIMPYIG-UHFFFAOYSA-N 2 0 366.512 1.770 20 30 FDEDRP N#Cc1cnn2cc(C[NH2+]Cc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)cnc12 ZINC000597187645 552759067 /nfs/dbraw/zinc/75/90/67/552759067.db2.gz RQURAGAKIPNUHD-LJQANCHMSA-N 2 0 362.437 1.457 20 30 FDEDRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598592397 552912643 /nfs/dbraw/zinc/91/26/43/552912643.db2.gz KKIDHLARGFCMQA-KRWDZBQOSA-N 2 0 366.550 1.703 20 30 FDEDRP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600721540 553307216 /nfs/dbraw/zinc/30/72/16/553307216.db2.gz NHEVMQNUQUIKHA-SFHVURJKSA-N 2 0 361.486 1.788 20 30 FDEDRP N#CC1(C[C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCOCC1 ZINC000600729252 553308288 /nfs/dbraw/zinc/30/82/88/553308288.db2.gz UHJAJJYLMGBSPD-GBESFXJTSA-N 2 0 365.518 1.415 20 30 FDEDRP C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000602600048 553610685 /nfs/dbraw/zinc/61/06/85/553610685.db2.gz GRBLDBCLSFWWHM-CQSZACIVSA-N 2 0 351.410 1.769 20 30 FDEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000602672270 553621230 /nfs/dbraw/zinc/62/12/30/553621230.db2.gz YBTFFSDDWYLENK-KRWDZBQOSA-N 2 0 350.507 1.667 20 30 FDEDRP CC(CC[NH+]1CCN(CCC#N)CC1)CC[NH+]1CCN(CCC#N)CC1 ZINC000603016791 553694951 /nfs/dbraw/zinc/69/49/51/553694951.db2.gz KDYWMGWYHOPBBD-UHFFFAOYSA-N 2 0 360.550 1.465 20 30 FDEDRP C=C(CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000620748101 555978501 /nfs/dbraw/zinc/97/85/01/555978501.db2.gz LPXOHNCYYZCJRC-USTZCAOPSA-N 2 0 364.534 1.521 20 30 FDEDRP C[C@@H](NC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2)c1ccc(Cl)cc1Cl ZINC000262776374 672847457 /nfs/dbraw/zinc/84/74/57/672847457.db2.gz JYZZRXBTUJFLRU-YPMHNXCESA-N 2 0 356.301 1.959 20 30 FDEDRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000329056042 676617746 /nfs/dbraw/zinc/61/77/46/676617746.db2.gz MEXZKPOWFLCEJK-KRWDZBQOSA-N 2 0 353.507 1.946 20 30 FDEDRP C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000329701372 676650277 /nfs/dbraw/zinc/65/02/77/676650277.db2.gz HHZNKZWJZQUKML-XYJFISCASA-N 2 0 351.539 1.389 20 30 FDEDRP Cc1nnsc1CNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000330192002 676677728 /nfs/dbraw/zinc/67/77/28/676677728.db2.gz NKTQKYOXMGBFGD-UHFFFAOYSA-N 2 0 352.508 1.409 20 30 FDEDRP C[NH+](C)CCCN(CCC#N)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412179691 679162638 /nfs/dbraw/zinc/16/26/38/679162638.db2.gz VFOXAVPWPPJOAE-KRWDZBQOSA-N 2 0 352.548 1.898 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)C(C)C ZINC000419575890 680281445 /nfs/dbraw/zinc/28/14/45/680281445.db2.gz WRJFDRIQGLVMDU-BRWVUGGUSA-N 2 0 350.507 1.010 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ncc(C#N)cc1Cl ZINC000432498877 681156742 /nfs/dbraw/zinc/15/67/42/681156742.db2.gz CPCBOLXULNMUJD-UHFFFAOYSA-N 2 0 351.882 1.952 20 30 FDEDRP CCN(C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@H]1CC[NH2+]C1 ZINC000892233225 782395292 /nfs/dbraw/zinc/39/52/92/782395292.db2.gz UNKCYORZFFUNDQ-IBGZPJMESA-N 2 0 355.486 1.916 20 30 FDEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001104409065 782543970 /nfs/dbraw/zinc/54/39/70/782543970.db2.gz NRJPZGXJRHJGLU-IAGOWNOFSA-N 2 0 351.454 1.978 20 30 FDEDRP C=CCC[NH+]1C[C@H]2OCCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083194087 771241021 /nfs/dbraw/zinc/24/10/21/771241021.db2.gz VRJNIFZELIZFNZ-FCEWJHQRSA-N 2 0 353.482 1.687 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(NCC2(O)CCOCC2)=[NH+]CCC)CC1 ZINC000086509225 771860234 /nfs/dbraw/zinc/86/02/34/771860234.db2.gz RLZYLXAJEIFYJV-UHFFFAOYSA-N 2 0 352.523 1.514 20 30 FDEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104753820 793291872 /nfs/dbraw/zinc/29/18/72/793291872.db2.gz UQTTYEOSBLEIGT-VAMGGRTRSA-N 2 0 363.546 1.973 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCC[C@H](C)O)C2)CC1 ZINC001105062468 795107896 /nfs/dbraw/zinc/10/78/96/795107896.db2.gz SGIPOFAGBZAOLZ-WSTZPKSXSA-N 2 0 363.546 1.567 20 30 FDEDRP COc1ccc(C#N)cc1CN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001027892450 806874582 /nfs/dbraw/zinc/87/45/82/806874582.db2.gz WDTOBPVZBSEUQN-ATZDWAIDSA-N 2 0 370.497 1.988 20 30 FDEDRP C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001112524498 801472284 /nfs/dbraw/zinc/47/22/84/801472284.db2.gz RPTQUPMAAIOQKC-HQRMLTQVSA-N 2 0 364.534 1.093 20 30 FDEDRP C=CC[C@]1(C(=O)NCc2ccc(OCC[NH+](C)C)c(OC)c2)CCC[NH2+]1 ZINC000662690761 806967768 /nfs/dbraw/zinc/96/77/68/806967768.db2.gz FKYBTGRQFVIBQJ-HXUWFJFHSA-N 2 0 361.486 1.950 20 30 FDEDRP C=CC[C@@]1(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCC[NH2+]1 ZINC000662761354 803090023 /nfs/dbraw/zinc/09/00/23/803090023.db2.gz ORKDLQMMDAWCKU-FQEVSTJZSA-N 2 0 372.517 1.193 20 30 FDEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418596591 807071386 /nfs/dbraw/zinc/07/13/86/807071386.db2.gz CMOOMGQLWGWAKY-UHFFFAOYSA-N 2 0 355.486 1.941 20 30 FDEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418752064 809183667 /nfs/dbraw/zinc/18/36/67/809183667.db2.gz SFSOEHGKMVNGCG-MRXNPFEDSA-N 2 0 365.428 1.629 20 30 FDEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC001211723360 809316670 /nfs/dbraw/zinc/31/66/70/809316670.db2.gz UOCWXNOIWLZCIS-VQTJNVASSA-N 2 0 357.498 1.869 20 30 FDEDRP C[N@H+](CCN1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1)Cc1ccccc1 ZINC000424139941 815316505 /nfs/dbraw/zinc/31/65/05/815316505.db2.gz AQRXWOSNTLBVNW-LJQANCHMSA-N 2 0 357.502 1.284 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000664020354 810174482 /nfs/dbraw/zinc/17/44/82/810174482.db2.gz RDNLZVOUISZAAV-SFHVURJKSA-N 2 0 350.507 1.533 20 30 FDEDRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](Cc3cc(C#N)ccc3F)C2)CC[N@@H+]1C ZINC001028551013 810624217 /nfs/dbraw/zinc/62/42/17/810624217.db2.gz XJNDHASKHCUIBD-QGPMSJSTSA-N 2 0 358.461 1.976 20 30 FDEDRP CC[NH+]=C(NCc1nnc2n1CCCCC2)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261831897 813891686 /nfs/dbraw/zinc/89/16/86/813891686.db2.gz VOUHADSYNQTYLV-GOEBONIOSA-N 2 0 359.522 1.542 20 30 FDEDRP Cc1nnc(CNC(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)=[NH+]C2CCCC2)n1C ZINC000261940446 816954582 /nfs/dbraw/zinc/95/45/82/816954582.db2.gz DLEWNMFRYPYQLO-XJKSGUPXSA-N 2 0 359.522 1.727 20 30 FDEDRP C#CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001087476908 818393875 /nfs/dbraw/zinc/39/38/75/818393875.db2.gz LRTDRCUDSSXVLR-JBACZVJFSA-N 2 0 369.509 1.944 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]32)CC[N@@H+]1C ZINC001075810448 821190254 /nfs/dbraw/zinc/19/02/54/821190254.db2.gz DTNBXNFLZQILKJ-XWPNQZOQSA-N 2 0 352.482 1.931 20 30 FDEDRP CN(C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329281446 824713927 /nfs/dbraw/zinc/71/39/27/824713927.db2.gz MMQCPMXJOOTVFD-YZYRWKSTSA-N 2 0 364.534 1.835 20 30 FDEDRP C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[NH+]1CCC(C)CC1 ZINC000330179905 825708288 /nfs/dbraw/zinc/70/82/88/825708288.db2.gz MVQIWRCZMFIQAW-BHIYHBOVSA-N 2 0 366.550 1.988 20 30 FDEDRP C[NH+]=C(NCc1nnc2n1CCCCC2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262465993 827060393 /nfs/dbraw/zinc/06/03/93/827060393.db2.gz NSAQTRHPCIWYGD-MRXNPFEDSA-N 2 0 359.522 1.640 20 30 FDEDRP CN(C(=O)NCc1nc(C#N)cs1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000897282762 827696161 /nfs/dbraw/zinc/69/61/61/827696161.db2.gz UHVAFPUYKRVXTP-HNNXBMFYSA-N 2 0 362.503 1.325 20 30 FDEDRP C=CCN1CC[C@H]([NH+](C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC000985443169 827861074 /nfs/dbraw/zinc/86/10/74/827861074.db2.gz VSDGHFSJDXCTGW-NXHRZFHOSA-N 2 0 362.518 1.036 20 30 FDEDRP CC[NH+]=C(NC[C@@H]1CCCC[N@@H+]1CC)N1CCN(c2ncccn2)CC1 ZINC000262788289 831433223 /nfs/dbraw/zinc/43/32/23/831433223.db2.gz NGJPWIZRCILQPU-KRWDZBQOSA-N 2 0 359.522 1.439 20 30 FDEDRP C[NH+]=C(NCC(C)(C)[NH+]1CCC(OC)CC1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262824641 831551700 /nfs/dbraw/zinc/55/17/00/831551700.db2.gz ZLDXXZMZLYFWTD-BBWFWOEESA-N 2 0 366.550 1.854 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105653092 842457506 /nfs/dbraw/zinc/45/75/06/842457506.db2.gz RIEWUGGLMFODBS-NEYJZJCJSA-N 2 0 361.530 1.318 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CC(C)(C)CO3)[C@@H]2C)CC1 ZINC001089059753 866388020 /nfs/dbraw/zinc/38/80/20/866388020.db2.gz ZGDRLZFXYFWKHS-NEWSRXKRSA-N 2 0 361.530 1.726 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000900647936 869620313 /nfs/dbraw/zinc/62/03/13/869620313.db2.gz CKOPUIYYEMHRAX-UHFFFAOYSA-N 2 0 372.513 1.636 20 30 FDEDRP C#CCN(C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000913889190 869911836 /nfs/dbraw/zinc/91/18/36/869911836.db2.gz UHNDXMIGKYQNSG-HXUWFJFHSA-N 2 0 356.514 1.898 20 30 FDEDRP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106666859 876479015 /nfs/dbraw/zinc/47/90/15/876479015.db2.gz XKKRTNNCKACKSS-GZBFAFLISA-N 2 0 358.324 1.921 20 30 FDEDRP C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001106673769 876505209 /nfs/dbraw/zinc/50/52/09/876505209.db2.gz KKCXNRRVVFMTHF-KURKYZTESA-N 2 0 364.534 1.211 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000922264931 877194567 /nfs/dbraw/zinc/19/45/67/877194567.db2.gz YMYXQWWXPOWMBG-LJQANCHMSA-N 2 0 354.498 1.905 20 30 FDEDRP C#CCN(C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C1CC[NH+](C)CC1 ZINC000922876529 879562675 /nfs/dbraw/zinc/56/26/75/879562675.db2.gz CMZOZMASTCLVAY-ICSRJNTNSA-N 2 0 369.513 1.813 20 30 FDEDRP C#CCN(C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C1CC[NH+](C)CC1 ZINC000919412014 885698468 /nfs/dbraw/zinc/69/84/68/885698468.db2.gz GKBJBKDBRGVLBN-QGZVFWFLSA-N 2 0 362.518 1.226 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000923246975 888547090 /nfs/dbraw/zinc/54/70/90/888547090.db2.gz KWGCOXYLVOZFDJ-UHFFFAOYSA-N 2 0 369.513 1.690 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](CC)c3ccccc3)C[C@@H]2O)CC1 ZINC001084088019 913361242 /nfs/dbraw/zinc/36/12/42/913361242.db2.gz MFHBDFSILQVMFP-NJYVYQBISA-N 2 0 369.509 1.644 20 30 FDEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000940750439 893112826 /nfs/dbraw/zinc/11/28/26/893112826.db2.gz HKFYNMMJTSLBLP-QYZOEREBSA-N 2 0 361.530 1.583 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000921992451 893920059 /nfs/dbraw/zinc/92/00/59/893920059.db2.gz WDLSHTJNCQXBIC-XLIONFOSSA-N 2 0 354.498 1.904 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)C(C)C ZINC000671082060 896162698 /nfs/dbraw/zinc/16/26/98/896162698.db2.gz QPFZBSZDSZVMQO-DLBZAZTESA-N 2 0 350.507 1.012 20 30 FDEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001106997828 898424505 /nfs/dbraw/zinc/42/45/05/898424505.db2.gz XGNNNWOMZQMHTR-QZTJIDSGSA-N 2 0 364.534 1.239 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C)c3)C[C@H]2O)CC1 ZINC001078226985 898426726 /nfs/dbraw/zinc/42/67/26/898426726.db2.gz CUCYILHPYLHHJL-WOJBJXKFSA-N 2 0 355.482 1.002 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cccc(CC)c3)C[C@H]2O)CC1 ZINC001078228611 898438846 /nfs/dbraw/zinc/43/88/46/898438846.db2.gz XPDNZILRUFELFK-NHCUHLMSSA-N 2 0 369.509 1.256 20 30 FDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079256870 902286748 /nfs/dbraw/zinc/28/67/48/902286748.db2.gz JUYBXCLDBFLEHD-GBESFXJTSA-N 2 0 361.530 1.986 20 30 FDEDRP CC#CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079260775 902299088 /nfs/dbraw/zinc/29/90/88/902299088.db2.gz ORNQEUQFGFIESZ-GBESFXJTSA-N 2 0 359.514 1.433 20 30 FDEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@H](OC)C1 ZINC001082160026 906088217 /nfs/dbraw/zinc/08/82/17/906088217.db2.gz YWCYQFHOAOHACS-IYWMVGAKSA-N 2 0 357.498 1.723 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1c1ccccc1 ZINC001081150958 907262488 /nfs/dbraw/zinc/26/24/88/907262488.db2.gz MSRFNORVHRTINZ-LBQNXCCASA-N 2 0 365.477 1.067 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001082559978 908616254 /nfs/dbraw/zinc/61/62/54/908616254.db2.gz VMYQYINHPMFFLT-DJKXOVBDSA-N 2 0 370.497 1.844 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000734274649 923152681 /nfs/dbraw/zinc/15/26/81/923152681.db2.gz APXSDVPJYFERGH-LJQANCHMSA-N 2 0 364.534 1.970 20 30 FDEDRP C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169131225 928287605 /nfs/dbraw/zinc/28/76/05/928287605.db2.gz RYSWYYKRUJAKQX-JTJHWIPRSA-N 2 0 360.546 1.795 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001129879237 938536556 /nfs/dbraw/zinc/53/65/56/938536556.db2.gz YIHSUDAEMVYHQK-BBWFWOEESA-N 2 0 366.485 1.266 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001130012220 938614922 /nfs/dbraw/zinc/61/49/22/938614922.db2.gz VWAMUHZZESNVSL-SJORKVTESA-N 2 0 360.506 1.318 20 30 FDEDRP CCCCCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137414 938710487 /nfs/dbraw/zinc/71/04/87/938710487.db2.gz YFFVSHWRFSAEPF-MSOLQXFVSA-N 2 0 364.538 1.930 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130590530 939897502 /nfs/dbraw/zinc/89/75/02/939897502.db2.gz VLPKHMXXCKEIRW-QXAKKESOSA-N 2 0 359.518 1.753 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1cn(C)cn1 ZINC001130607855 939919687 /nfs/dbraw/zinc/91/96/87/939919687.db2.gz NTACDQMEUJFWKQ-PKOBYXMFSA-N 2 0 359.518 1.755 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1cn(C)cn1 ZINC001130622256 939921235 /nfs/dbraw/zinc/92/12/35/939921235.db2.gz ZQEGTZSZZBZWLY-PKOBYXMFSA-N 2 0 371.529 1.899 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1cncn1C ZINC001131010510 940441500 /nfs/dbraw/zinc/44/15/00/940441500.db2.gz OLVIKAMDRSYFAT-QZTJIDSGSA-N 2 0 359.518 1.755 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1cncn1C ZINC001131025845 940458978 /nfs/dbraw/zinc/45/89/78/940458978.db2.gz GEJMWYSUQFIYFT-QZTJIDSGSA-N 2 0 371.529 1.899 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1c1cncn1C ZINC001131064234 940486453 /nfs/dbraw/zinc/48/64/53/940486453.db2.gz CNGWZUOPEDPWMN-ZHALLVOQSA-N 2 0 361.534 1.857 20 30 FDEDRP C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001131604948 940774757 /nfs/dbraw/zinc/77/47/57/940774757.db2.gz OTFOXNWKVMFKJG-OTWHNJEPSA-N 2 0 365.518 1.126 20 30 FDEDRP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001131609013 940789177 /nfs/dbraw/zinc/78/91/77/940789177.db2.gz UZVHOVORIHJYJL-AQNXPRMDSA-N 2 0 361.530 1.870 20 30 FDEDRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)c3ccc(C#N)cc3)cn2)CC1 ZINC000818960331 943343281 /nfs/dbraw/zinc/34/32/81/943343281.db2.gz AXKZCEKWRJHCGJ-FQEVSTJZSA-N 2 0 365.481 1.918 20 30 FDEDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196665121 971850722 /nfs/dbraw/zinc/85/07/22/971850722.db2.gz BCGLDWKNGSIWQC-UHFFFAOYSA-N 2 0 358.895 1.326 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@H]3CCCOC3)C2)CC1 ZINC001086882181 952913936 /nfs/dbraw/zinc/91/39/36/952913936.db2.gz FBAHGUZAWDFRAF-NLWGTHIKSA-N 2 0 361.530 1.633 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4conc4C)C[C@@]3(C)C2)CC1 ZINC001092300253 954748931 /nfs/dbraw/zinc/74/89/31/954748931.db2.gz UAGNBNZVJPUXML-CTNGQTDRSA-N 2 0 370.497 1.609 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]2C)CC1 ZINC001093223531 957853814 /nfs/dbraw/zinc/85/38/14/957853814.db2.gz AYCICANGPXKTRD-WSTZPKSXSA-N 2 0 361.530 1.442 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3cncs3)C[C@H]2C)CC1 ZINC001093224364 957857223 /nfs/dbraw/zinc/85/72/23/957857223.db2.gz SRGWYDWVMRVIEZ-NVXWUHKLSA-N 2 0 360.527 1.672 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C34CCC[NH+]3CCC4)[C@H]2C(C)C)C[C@H]1O ZINC001093451997 958136917 /nfs/dbraw/zinc/13/69/17/958136917.db2.gz BKTYLMMXNDQHRS-XSYGEPLQSA-N 2 0 359.514 1.214 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001093458901 958286423 /nfs/dbraw/zinc/28/64/23/958286423.db2.gz HURDAHYNLKLMFL-NEYJZJCJSA-N 2 0 361.530 1.460 20 30 FDEDRP C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001197657435 972339342 /nfs/dbraw/zinc/33/93/42/972339342.db2.gz HPKRLWOZGNWTRE-FGTMMUONSA-N 2 0 353.507 1.005 20 30 FDEDRP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001197723349 972393581 /nfs/dbraw/zinc/39/35/81/972393581.db2.gz GONDYCWPENCSAF-QZTJIDSGSA-N 2 0 355.523 1.253 20 30 FDEDRP C#C[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCO1 ZINC000773260386 960115706 /nfs/dbraw/zinc/11/57/06/960115706.db2.gz QTSMVQSXJKACFJ-OALUTQOASA-N 2 0 371.485 1.074 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001178522263 964272181 /nfs/dbraw/zinc/27/21/81/964272181.db2.gz JXVJUMIKTNDOGX-BRWVUGGUSA-N 2 0 352.523 1.284 20 30 FDEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001187951836 965926671 /nfs/dbraw/zinc/92/66/71/965926671.db2.gz OVHNLIVJZPBVDH-ZIFCJYIRSA-N 2 0 359.518 1.946 20 30 FDEDRP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001189732565 967237617 /nfs/dbraw/zinc/23/76/17/967237617.db2.gz NBFPHJAKQDIJES-VQTJNVASSA-N 2 0 361.530 1.844 20 30 FDEDRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C#CC3CC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000852858233 967662976 /nfs/dbraw/zinc/66/29/76/967662976.db2.gz VRTAZHSTSQQNPZ-HDICACEKSA-N 2 0 369.509 1.915 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000867955800 977138393 /nfs/dbraw/zinc/13/83/93/977138393.db2.gz HDUSDGZBOGXZJX-AQNXPRMDSA-N 2 0 368.481 1.505 20 30 FDEDRP C#CC[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849594516 977805880 /nfs/dbraw/zinc/80/58/80/977805880.db2.gz DNXDWYBGICMMRO-OALUTQOASA-N 2 0 359.518 1.305 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000883343678 982086660 /nfs/dbraw/zinc/08/66/60/982086660.db2.gz VTEIMRZFBUDOEI-SFHVURJKSA-N 2 0 350.507 1.579 20 30 FDEDRP C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C1([NH+]2CCOCC2)CCCC1 ZINC000884227283 983001006 /nfs/dbraw/zinc/00/10/06/983001006.db2.gz LZDZJKJKJAFHQJ-XNGIKWSVSA-N 2 0 360.502 1.275 20 30 FDEDRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884308633 983072494 /nfs/dbraw/zinc/07/24/94/983072494.db2.gz YFXBGMHTTFWUFG-GNZRSQJKSA-N 2 0 358.461 1.855 20 30 FDEDRP C#CCN1CCC[C@H](NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000884458908 983167739 /nfs/dbraw/zinc/16/77/39/983167739.db2.gz PUCFCYHCLQYLRG-SFHVURJKSA-N 2 0 362.518 1.274 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)C[C@H]1C[NH+](C)C ZINC000870021489 985526807 /nfs/dbraw/zinc/52/68/07/985526807.db2.gz GNRWYUAJTWIWFF-QZTJIDSGSA-N 2 0 358.486 1.329 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000299030719 988058304 /nfs/dbraw/zinc/05/83/04/988058304.db2.gz JCJPRQMWYFQOEQ-UHFFFAOYSA-N 2 0 368.525 1.660 20 30 FDEDRP C#CC[N@@H+](C)CCCNC(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000296468709 989226495 /nfs/dbraw/zinc/22/64/95/989226495.db2.gz WGJHJFAKOUARPT-SFHVURJKSA-N 2 0 372.513 1.662 20 30 FDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000876780564 992906010 /nfs/dbraw/zinc/90/60/10/992906010.db2.gz HHMXZCSAYNFZAQ-SFHVURJKSA-N 2 0 364.921 1.910 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000876957470 992982680 /nfs/dbraw/zinc/98/26/80/992982680.db2.gz XHRBXIRPZUIDPX-AZUAARDMSA-N 2 0 352.482 1.983 20 30 FDEDRP C[NH+]1CCC(C[NH2+]Cc2cc(C#N)cnc2Cl)(N2CCOCC2)CC1 ZINC000877587631 993360336 /nfs/dbraw/zinc/36/03/36/993360336.db2.gz PDDMCGFVAAWEIB-UHFFFAOYSA-N 2 0 363.893 1.493 20 30 FDEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCOCC1 ZINC001095556526 993446145 /nfs/dbraw/zinc/44/61/45/993446145.db2.gz WTBLOIAUMIEKHK-FYQPLNBISA-N 2 0 359.514 1.622 20 30 FDEDRP C[NH+](Cc1cc(C#N)cc(C[N@H+](C)C[C@@H](O)C2CC2)c1)C[C@H](O)C1CC1 ZINC000878174380 993762318 /nfs/dbraw/zinc/76/23/18/993762318.db2.gz AMNFHSZTNGMAGE-OYRHEFFESA-N 2 0 357.498 1.964 20 30 FDEDRP C[C@@H]1C[NH+](Cc2cc(C#N)cc(C[N@@H+]3CC[C@H](O)[C@@H](C)C3)c2)CC[C@@H]1O ZINC000878464228 993971470 /nfs/dbraw/zinc/97/14/70/993971470.db2.gz SABCKDBFRYJWQL-GQSCTRQFSA-N 2 0 357.498 1.964 20 30 FDEDRP C[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@H+]3CC[C@H](C)[C@@H]3CO)c2)[C@@H]1CO ZINC000878485551 993979723 /nfs/dbraw/zinc/97/97/23/993979723.db2.gz OHFUZBGNCWDVNF-LPTDTENNSA-N 2 0 357.498 1.964 20 30 FDEDRP COc1cc(C#N)ccc1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000926090318 995915958 /nfs/dbraw/zinc/91/59/58/995915958.db2.gz DDBSZKNSIBQWBF-CALCHBBNSA-N 2 0 369.469 1.999 20 30 FDEDRP COc1ccc(NC(=[NH2+])NC[C@H](C(C)C)N2CC[NH+](C)CC2)cc1OC ZINC000264084312 997398349 /nfs/dbraw/zinc/39/83/49/997398349.db2.gz JEDBXBOODYYGON-MRXNPFEDSA-N 2 0 363.506 1.702 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000265073588 997690556 /nfs/dbraw/zinc/69/05/56/997690556.db2.gz IAKYASLXRQBISP-UHFFFAOYSA-N 2 0 368.441 1.363 20 30 FDEDRP C=C(CNC(=O)[C@H]1CCC[NH+]1C(C)C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000826627956 998282870 /nfs/dbraw/zinc/28/28/70/998282870.db2.gz RBNKXEQQZRKVRC-QZTJIDSGSA-N 2 0 364.534 1.521 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000284970358 999889144 /nfs/dbraw/zinc/88/91/44/999889144.db2.gz KNYYBQWEHUDNOT-UHFFFAOYSA-N 2 0 372.513 1.391 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000285348684 999910554 /nfs/dbraw/zinc/91/05/54/999910554.db2.gz YJZOSHAMUGRIRJ-IBGZPJMESA-N 2 0 372.513 1.042 20 30 FDEDRP C#CC1(O)CC[NH+](CC[Si](C)(C)CC[NH+]2CCC(O)(C#C)CC2)CC1 ZINC000931151734 1003926401 /nfs/dbraw/zinc/92/64/01/1003926401.db2.gz RHGULFPKYIIEHL-UHFFFAOYSA-N 2 0 362.590 1.615 20 30 FDEDRP C=CCCC[N@@H+](CC)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000934646081 1005771055 /nfs/dbraw/zinc/77/10/55/1005771055.db2.gz HQOPIVOLIKYHID-UHFFFAOYSA-N 2 0 371.489 1.300 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)C(C)C ZINC000642769874 1007890748 /nfs/dbraw/zinc/89/07/48/1007890748.db2.gz RGGJNRSBMWBWKV-KZNAEPCWSA-N 2 0 362.518 1.012 20 30 FDEDRP CC(C)C[C@H](CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)[NH+](C)C ZINC000305035396 1008562239 /nfs/dbraw/zinc/56/22/39/1008562239.db2.gz SJNHUXSHQWOLIE-HZPDHXFCSA-N 2 0 367.538 1.843 20 30 FDEDRP C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512288091 538971084 /nfs/dbraw/zinc/97/10/84/538971084.db2.gz YGVVPGJURQRGSZ-UWJYYQICSA-N 2 0 370.497 1.985 20 30 FDEDRP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513818533 539006753 /nfs/dbraw/zinc/00/67/53/539006753.db2.gz FFXXTJXGSQVKDE-PXNSSMCTSA-N 2 0 364.534 1.864 20 30 FDEDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000533445434 540248864 /nfs/dbraw/zinc/24/88/64/540248864.db2.gz FTHJWKWRNLBRIY-HXUWFJFHSA-N 2 0 369.513 1.987 20 30 FDEDRP C=CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000556963800 544225711 /nfs/dbraw/zinc/22/57/11/544225711.db2.gz IXRDRCSWHKCEFS-VQTJNVASSA-N 2 0 370.497 1.972 20 30 FDEDRP C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000329075886 259075632 /nfs/dbraw/zinc/07/56/32/259075632.db2.gz AOUBJUQULVQNIT-DLBZAZTESA-N 2 0 370.497 1.952 20 30 FDEDRP C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000374258250 261100230 /nfs/dbraw/zinc/10/02/30/261100230.db2.gz JKDIINNZEPDPHS-KRWDZBQOSA-N 2 0 369.513 1.987 20 30 FDEDRP C=CCNC(=O)NC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057843770 522167814 /nfs/dbraw/zinc/16/78/14/522167814.db2.gz OWPYITIHGFVYRA-UHFFFAOYSA-N 2 0 358.486 1.842 20 30 FDEDRP C[C@@H]1C[C@H](CNC(=[NH2+])NCCCN2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000136876080 524220349 /nfs/dbraw/zinc/22/03/49/524220349.db2.gz WZEHYKVHFUJECC-UYAOXDASSA-N 2 0 373.545 1.524 20 30 FDEDRP C[NH+]1CCC(N2CCC([NH2+]Cc3cnc4ccc(C#N)cn34)CC2)CC1 ZINC000123526049 524770194 /nfs/dbraw/zinc/77/01/94/524770194.db2.gz LZOWJYHTNWKQQF-UHFFFAOYSA-N 2 0 352.486 1.854 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000171566072 526039705 /nfs/dbraw/zinc/03/97/05/526039705.db2.gz GPQUBKPLHJOIKQ-UHFFFAOYSA-N 2 0 356.514 1.814 20 30 FDEDRP COC[C@@H](C)NC(=[NH2+])NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000267311139 536968285 /nfs/dbraw/zinc/96/82/85/536968285.db2.gz LXBSHXDDTZAOPT-QGZVFWFLSA-N 2 0 362.518 1.997 20 30 FDEDRP CCOC(=O)c1csc(CCNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)n1 ZINC000189068284 536992242 /nfs/dbraw/zinc/99/22/42/536992242.db2.gz HXORURPASZSDEZ-LBPRGKRZSA-N 2 0 353.492 1.251 20 30 FDEDRP COc1ccc(CNC(=[NH2+])NCCCC[NH+]2CCOCC2)cc1OC ZINC000264106143 537138051 /nfs/dbraw/zinc/13/80/51/537138051.db2.gz PNGXMHBBVCYUKL-UHFFFAOYSA-N 2 0 350.463 1.221 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCn1cc(Br)cn1 ZINC000279881052 537357742 /nfs/dbraw/zinc/35/77/42/537357742.db2.gz AYWLBJAIBBRFIT-CQSZACIVSA-N 2 0 371.327 1.814 20 30 FDEDRP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000364947005 537401054 /nfs/dbraw/zinc/40/10/54/537401054.db2.gz UMWYCMNBFDXMEX-SFHVURJKSA-N 2 0 363.550 1.344 20 30 FDEDRP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000364947004 537401185 /nfs/dbraw/zinc/40/11/85/537401185.db2.gz UMWYCMNBFDXMEX-GOSISDBHSA-N 2 0 363.550 1.344 20 30 FDEDRP C[C@@H]1CN(Cc2ccccc2CNC(=O)[C@H]([NH3+])CCCC#N)C[C@H](C)O1 ZINC000424127382 538242786 /nfs/dbraw/zinc/24/27/86/538242786.db2.gz CTSYARPLVZOQOT-JTDSTZFVSA-N 2 0 358.486 1.933 20 30 FDEDRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]C[C@H](O)CN(C)CCC#N)cc2)C[C@@H](C)O1 ZINC000565291679 547293100 /nfs/dbraw/zinc/29/31/00/547293100.db2.gz AWCLFUHKQUHPQJ-OPYAIIAOSA-N 2 0 374.529 1.592 20 30 FDEDRP CN(CCC#N)C[C@@H](O)C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000566108731 547606410 /nfs/dbraw/zinc/60/64/10/547606410.db2.gz CYMGLTKARFRENU-KRWDZBQOSA-N 2 0 350.532 1.756 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000568511531 548568063 /nfs/dbraw/zinc/56/80/63/548568063.db2.gz OJTLDBSVQIOQIJ-LJQANCHMSA-N 2 0 370.497 1.228 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)CC1 ZINC000574264525 550285326 /nfs/dbraw/zinc/28/53/26/550285326.db2.gz VFIREDRKMMLWAM-FUHWJXTLSA-N 2 0 373.501 1.449 20 30 FDEDRP N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCCC[NH+]2CCCC2)nc1 ZINC000583930135 551422431 /nfs/dbraw/zinc/42/24/31/551422431.db2.gz RVJZPVKSQIMPDY-UHFFFAOYSA-N 2 0 350.488 1.583 20 30 FDEDRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)C2)CC1 ZINC000591736984 551905061 /nfs/dbraw/zinc/90/50/61/551905061.db2.gz ZIFRZAMJKOBBAH-AZUAARDMSA-N 2 0 372.513 1.250 20 30 FDEDRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593719848 552181919 /nfs/dbraw/zinc/18/19/19/552181919.db2.gz IODRGQCFDXWCJL-MAUKXSAKSA-N 2 0 355.486 1.901 20 30 FDEDRP N#CCCCC[C@H]([NH3+])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000594439102 552310597 /nfs/dbraw/zinc/31/05/97/552310597.db2.gz NVWSDUHDEZAMMH-KRWDZBQOSA-N 2 0 350.507 1.797 20 30 FDEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000594444994 552311755 /nfs/dbraw/zinc/31/17/55/552311755.db2.gz HODZJOPZCDEJDU-SFHVURJKSA-N 2 0 350.507 1.749 20 30 FDEDRP N#CC1(C[C@H](O)C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC1 ZINC000600734742 553308922 /nfs/dbraw/zinc/30/89/22/553308922.db2.gz FWNVDKJFYPAMOW-IBGZPJMESA-N 2 0 370.497 1.528 20 30 FDEDRP C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000602599510 553610532 /nfs/dbraw/zinc/61/05/32/553610532.db2.gz AFMANTDWNMYODY-CQSZACIVSA-N 2 0 351.410 1.769 20 30 FDEDRP CC[N@H+](CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)C(C)C ZINC000089120780 671491699 /nfs/dbraw/zinc/49/16/99/671491699.db2.gz HAEXDTYTQNVMAT-HNNXBMFYSA-N 2 0 353.511 1.597 20 30 FDEDRP CCOCCC[N@@H+]1CC[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)C1 ZINC000249490018 672565368 /nfs/dbraw/zinc/56/53/68/672565368.db2.gz ZGEIVNZYUKUKCP-JENIJYKNSA-N 2 0 352.523 1.767 20 30 FDEDRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288716858 676044554 /nfs/dbraw/zinc/04/45/54/676044554.db2.gz LNPIEWRTIUIPHL-HNNXBMFYSA-N 2 0 353.417 1.634 20 30 FDEDRP C[NH+]=C(NCC1([NH+](C)C)CCCC1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000261783052 672671557 /nfs/dbraw/zinc/67/15/57/672671557.db2.gz QFXYTHZRSFADEB-KRWDZBQOSA-N 2 0 351.539 1.090 20 30 FDEDRP C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)N1CC[NH+](C)CC1 ZINC000264071972 672900275 /nfs/dbraw/zinc/90/02/75/672900275.db2.gz DORYZVYYICLGAP-LBPRGKRZSA-N 2 0 359.396 1.948 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(CS(C)(=O)=O)cc1 ZINC000264076463 672900312 /nfs/dbraw/zinc/90/03/12/672900312.db2.gz FXPKLIRCIXZVHA-INIZCTEOSA-N 2 0 352.504 1.120 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000284522997 675724501 /nfs/dbraw/zinc/72/45/01/675724501.db2.gz TZQLHADMVMDXQF-HNNXBMFYSA-N 2 0 364.515 1.234 20 30 FDEDRP COc1ccc(OC)c(NC(=[NH2+])NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000303776242 676542786 /nfs/dbraw/zinc/54/27/86/676542786.db2.gz HTHMPISPFUBCLW-KBPBESRZSA-N 2 0 350.463 1.930 20 30 FDEDRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=[NH2+])NCCc1cccs1 ZINC000303974697 676543957 /nfs/dbraw/zinc/54/39/57/676543957.db2.gz IFXOZXWMBBMGGZ-OAHLLOKOSA-N 2 0 351.520 1.138 20 30 FDEDRP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000360472613 676868237 /nfs/dbraw/zinc/86/82/37/676868237.db2.gz LTKWTTUYLDRSCD-HKUYNNGSSA-N 2 0 350.551 1.900 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+])C(C)C ZINC000417057683 679742245 /nfs/dbraw/zinc/74/22/45/679742245.db2.gz CEPLKAJHNUQBCR-KZNAEPCWSA-N 2 0 352.523 1.833 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000419567090 680279055 /nfs/dbraw/zinc/27/90/55/680279055.db2.gz HOZLDEOKZSIUKJ-BRWVUGGUSA-N 2 0 350.507 1.058 20 30 FDEDRP C=C[C@@H]1OCCC[C@H]1NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000459046718 684361155 /nfs/dbraw/zinc/36/11/55/684361155.db2.gz SGNIZIHRKZNYQE-KURKYZTESA-N 2 0 352.523 1.778 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(C[C@@H](C)O)CC1)C(C)C ZINC000480570651 686190496 /nfs/dbraw/zinc/19/04/96/686190496.db2.gz WGVSMYYBLXNHJM-MSOLQXFVSA-N 2 0 352.523 1.393 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000532264493 694870273 /nfs/dbraw/zinc/87/02/73/694870273.db2.gz YZGUULQFGCLNED-QZTJIDSGSA-N 2 0 350.507 1.314 20 30 FDEDRP C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000255032754 771167018 /nfs/dbraw/zinc/16/70/18/771167018.db2.gz BXDNQHQGUKYGCP-FZFLATATSA-N 2 0 372.469 1.804 20 30 FDEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001104420563 783120140 /nfs/dbraw/zinc/12/01/40/783120140.db2.gz WINSDFYKFGAMKF-HZPDHXFCSA-N 2 0 369.469 1.324 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000891520847 778205755 /nfs/dbraw/zinc/20/57/55/778205755.db2.gz RCAIZOHEJSPTQQ-QGZVFWFLSA-N 2 0 350.507 1.485 20 30 FDEDRP C=CCC[C@H](CO)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000458100045 780491377 /nfs/dbraw/zinc/49/13/77/780491377.db2.gz GFGZHDGWYWHHDS-QGZVFWFLSA-N 2 0 361.490 1.220 20 30 FDEDRP COc1ccc(CNC(=[NH2+])NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000277280049 781310140 /nfs/dbraw/zinc/31/01/40/781310140.db2.gz JZDNGCFPSAQNGO-HNNXBMFYSA-N 2 0 364.490 1.609 20 30 FDEDRP C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)C1=O ZINC001104599816 788832103 /nfs/dbraw/zinc/83/21/03/788832103.db2.gz GUDHMMHQHZPWIC-KURKYZTESA-N 2 0 364.534 1.189 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001104932711 794451416 /nfs/dbraw/zinc/45/14/16/794451416.db2.gz IUICKFUMMVGNLZ-KZNAEPCWSA-N 2 0 366.550 1.483 20 30 FDEDRP C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105008181 794893947 /nfs/dbraw/zinc/89/39/47/794893947.db2.gz TUGQSRKCSHQDPC-BPLDGKMQSA-N 2 0 358.324 1.921 20 30 FDEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001105062582 795099069 /nfs/dbraw/zinc/09/90/69/795099069.db2.gz YREHBYHKPCETNO-QZTJIDSGSA-N 2 0 364.534 1.239 20 30 FDEDRP C=CC[C@@]1(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)nc2)CCC[NH2+]1 ZINC000662757860 803078848 /nfs/dbraw/zinc/07/88/48/803078848.db2.gz OIXPODJXSKAIKA-FQEVSTJZSA-N 2 0 357.502 1.538 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1c1ccccc1 ZINC001211722220 809307262 /nfs/dbraw/zinc/30/72/62/809307262.db2.gz AGBGSJFZWGFLDG-SESVDKBCSA-N 2 0 369.509 1.562 20 30 FDEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000424139963 815316317 /nfs/dbraw/zinc/31/63/17/815316317.db2.gz ATKYGPYXGLKSAB-NVXWUHKLSA-N 2 0 357.458 1.344 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000664016956 810165624 /nfs/dbraw/zinc/16/56/24/810165624.db2.gz TWDXVFQLEFOHRU-GOSISDBHSA-N 2 0 350.507 1.268 20 30 FDEDRP C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262020381 811369672 /nfs/dbraw/zinc/36/96/72/811369672.db2.gz YPJNSCSMFDSLJN-KDOFPFPSSA-N 2 0 367.501 1.723 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C(C)C ZINC000419564301 812020996 /nfs/dbraw/zinc/02/09/96/812020996.db2.gz CFMINQHJZQZCJF-KSZLIROESA-N 2 0 362.518 1.154 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)C(C)C ZINC000419570863 812024624 /nfs/dbraw/zinc/02/46/24/812024624.db2.gz OFXIRIXDCAHALA-FGTMMUONSA-N 2 0 364.534 1.245 20 30 FDEDRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)CC[C@@H]21 ZINC000330221158 825739578 /nfs/dbraw/zinc/73/95/78/825739578.db2.gz LJCWABDVBZYLOK-LULLPPNCSA-N 2 0 364.534 1.694 20 30 FDEDRP CC#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001088234496 827598525 /nfs/dbraw/zinc/59/85/25/827598525.db2.gz UFFLDFDMVBMGOY-YZGWKJHDSA-N 2 0 361.530 1.679 20 30 FDEDRP C#CCN(C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)C1CC[NH+](C)CC1 ZINC000925168450 828304106 /nfs/dbraw/zinc/30/41/06/828304106.db2.gz BBUKZURJUBUZLB-IRXDYDNUSA-N 2 0 350.532 1.305 20 30 FDEDRP C[N@@H+]1CCC[C@@H]2CN(CC#CCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000528406536 829389324 /nfs/dbraw/zinc/38/93/24/829389324.db2.gz ONNAMEJBBWOKTC-APWZRJJASA-N 2 0 351.450 1.702 20 30 FDEDRP C=CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000262004899 837388228 /nfs/dbraw/zinc/38/82/28/837388228.db2.gz DVPPMKFAJQMUCA-INIZCTEOSA-N 2 0 369.473 1.033 20 30 FDEDRP CN(C)C(NCc1ccccc1)=[NH+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000263190408 832634686 /nfs/dbraw/zinc/63/46/86/832634686.db2.gz VPVULSWSOUJZLY-UHFFFAOYSA-N 2 0 373.545 1.490 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3([NH+](C)C)CCC3)[C@H]2C(C)C)C[C@H]1O ZINC001105637225 842271267 /nfs/dbraw/zinc/27/12/67/842271267.db2.gz LTZRGOQLKJNJSF-XSYGEPLQSA-N 2 0 361.530 1.460 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C(C)C)C[C@H]1O ZINC001105637623 842272960 /nfs/dbraw/zinc/27/29/60/842272960.db2.gz STTLYDMMCJTHRY-RMVXJAJNSA-N 2 0 361.530 1.460 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C(C)C)C[C@H]1O ZINC001105668600 843824948 /nfs/dbraw/zinc/82/49/48/843824948.db2.gz LGZIEMMWJPAERO-VURPSTOHSA-N 2 0 363.546 1.708 20 30 FDEDRP C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000668619191 854564588 /nfs/dbraw/zinc/56/45/88/854564588.db2.gz ZVWVBXKYPNHZHO-ROUUACIJSA-N 2 0 350.507 1.084 20 30 FDEDRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000911922326 859112301 /nfs/dbraw/zinc/11/23/01/859112301.db2.gz XCBNRPNSNRVLHN-QUCCMNQESA-N 2 0 356.470 1.094 20 30 FDEDRP C[C@@H]1CN(C)C[C@H](C(=O)N(C)[C@H]2CCN(CC#Cc3ccccc3)C2)O1 ZINC001033183747 881686719 /nfs/dbraw/zinc/68/67/19/881686719.db2.gz FEOMBQMGNJYVES-YZGWKJHDSA-N 2 0 355.482 1.290 20 30 FDEDRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001106882424 881908867 /nfs/dbraw/zinc/90/88/67/881908867.db2.gz VLMFHCIBEZJFSN-UYAOXDASSA-N 2 0 351.494 1.818 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H]3CC(C)(C)CO3)[C@@H]2C)CC1 ZINC001089059754 866388113 /nfs/dbraw/zinc/38/81/13/866388113.db2.gz ZGDRLZFXYFWKHS-QRQLOZEOSA-N 2 0 361.530 1.726 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3nccn3CC)[C@@H]2C)CC1 ZINC001089059895 866388911 /nfs/dbraw/zinc/38/89/11/866388911.db2.gz HSINJXPOIBXEPZ-AEFFLSMTSA-N 2 0 357.502 1.327 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)CC1 ZINC001089060176 866390279 /nfs/dbraw/zinc/39/02/79/866390279.db2.gz XRBKGPXNDHLDTG-UTKZUKDTSA-N 2 0 364.493 1.982 20 30 FDEDRP COc1ccnc(C(=N)Nc2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)n1 ZINC001168428139 867701221 /nfs/dbraw/zinc/70/12/21/867701221.db2.gz NEISFEKAGNHJON-UHFFFAOYSA-N 2 0 354.458 1.693 20 30 FDEDRP CC(C)(C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696146 869340214 /nfs/dbraw/zinc/34/02/14/869340214.db2.gz LLAWBRZOIJLHGN-MSOLQXFVSA-N 2 0 356.470 1.094 20 30 FDEDRP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106250024 874131479 /nfs/dbraw/zinc/13/14/79/874131479.db2.gz WAUNZHWEUCPYLW-KCPJHIHWSA-N 2 0 358.324 1.919 20 30 FDEDRP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106599834 876109775 /nfs/dbraw/zinc/10/97/75/876109775.db2.gz PFGTVHXCJZTZKV-QZTJIDSGSA-N 2 0 366.550 1.437 20 30 FDEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001106778797 877789236 /nfs/dbraw/zinc/78/92/36/877789236.db2.gz QTYHCLFRBGHGKT-LMMKCTJWSA-N 2 0 366.550 1.339 20 30 FDEDRP C#CCN(C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000923356435 889000173 /nfs/dbraw/zinc/00/01/73/889000173.db2.gz RTZOLLOLFUNIKX-FQEVSTJZSA-N 2 0 354.498 2.000 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000923390885 889082416 /nfs/dbraw/zinc/08/24/16/889082416.db2.gz YWFBGJWSKFJUNP-PNYFIKQUSA-N 2 0 359.470 1.516 20 30 FDEDRP C=CCC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001128107511 896967199 /nfs/dbraw/zinc/96/71/99/896967199.db2.gz SEQFEYQJJLXGQK-NZSAHSFTSA-N 2 0 371.529 1.782 20 30 FDEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2CC[NH+](C)CC2)C1 ZINC001079142854 901952068 /nfs/dbraw/zinc/95/20/68/901952068.db2.gz XYIMRLSPDRNPNM-NHCUHLMSSA-N 2 0 371.525 1.978 20 30 FDEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001079240990 902191394 /nfs/dbraw/zinc/19/13/94/902191394.db2.gz IWWPTBCVTZIDRF-GBESFXJTSA-N 2 0 359.514 1.432 20 30 FDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079245970 902255485 /nfs/dbraw/zinc/25/54/85/902255485.db2.gz MGUOUAORLWYQKD-RBUKOAKNSA-N 2 0 361.530 1.986 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC3(CC[NH+](CC)CC3)[C@H]3COC[C@H]32)CC1 ZINC001079274509 902356298 /nfs/dbraw/zinc/35/62/98/902356298.db2.gz RXYSTIQXVCCZMG-RBUKOAKNSA-N 2 0 359.514 1.291 20 30 FDEDRP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107549888 905499655 /nfs/dbraw/zinc/49/96/55/905499655.db2.gz JKCXPUSYQHKAJH-WIYYLYMNSA-N 2 0 361.530 1.729 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(OC)cc3)C[C@H]2C)CC1 ZINC001080997440 906971419 /nfs/dbraw/zinc/97/14/19/906971419.db2.gz DFKXTUJPIVAFJF-DYESRHJHSA-N 2 0 369.509 1.977 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@H]2C)CC1 ZINC001080998081 906973640 /nfs/dbraw/zinc/97/36/40/906973640.db2.gz RMJZTXAZFFZEBG-QWFCFKBJSA-N 2 0 361.530 1.585 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC001082447624 907809006 /nfs/dbraw/zinc/80/90/06/907809006.db2.gz HUMBCEJVNQIZNR-LZQZEXGQSA-N 2 0 356.470 1.620 20 30 FDEDRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC001082719645 909816611 /nfs/dbraw/zinc/81/66/11/909816611.db2.gz ZKXBDQDRTWUUBA-OXQOHEQNSA-N 2 0 370.497 1.867 20 30 FDEDRP Cc1nc[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC001082884731 910663821 /nfs/dbraw/zinc/66/38/21/910663821.db2.gz CJHNYBQDDWLGHC-AUUYWEPGSA-N 2 0 367.453 1.800 20 30 FDEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084675546 916048090 /nfs/dbraw/zinc/04/80/90/916048090.db2.gz NBNBBKVPGZUKLA-MXEMCNAFSA-N 2 0 351.494 1.888 20 30 FDEDRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084773499 917027198 /nfs/dbraw/zinc/02/71/98/917027198.db2.gz SAIYYGHENFMMKK-XUVXKRRUSA-N 2 0 352.482 1.933 20 30 FDEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C[C@@H]21 ZINC001084957567 918839869 /nfs/dbraw/zinc/83/98/69/918839869.db2.gz HFPNSLLUGGUHGP-HOJAQTOUSA-N 2 0 359.514 1.576 20 30 FDEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001084993105 919366266 /nfs/dbraw/zinc/36/62/66/919366266.db2.gz MEMZUEVTYGGYHZ-DXWXDBEXSA-N 2 0 359.514 1.739 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC[C@@H]2CCOC2)CC1 ZINC001085432866 924681330 /nfs/dbraw/zinc/68/13/30/924681330.db2.gz UFEOEXOVKLBBGS-MISYRCLQSA-N 2 0 361.530 1.775 20 30 FDEDRP CC#CCN1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129326815 926155205 /nfs/dbraw/zinc/15/52/05/926155205.db2.gz MEDWXTTXKLFHJF-MSOLQXFVSA-N 2 0 360.506 1.155 20 30 FDEDRP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433728 938423604 /nfs/dbraw/zinc/42/36/04/938423604.db2.gz OOYYAJYXIJWTRN-KSZLIROESA-N 2 0 360.506 1.318 20 30 FDEDRP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460256 938435786 /nfs/dbraw/zinc/43/57/86/938435786.db2.gz HSOCFRRCGQKAKC-MSOLQXFVSA-N 2 0 362.522 1.706 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@@H]1n1ccnn1 ZINC001129857851 938529961 /nfs/dbraw/zinc/52/99/61/938529961.db2.gz HMVJSYBDSKWRDK-MLHJIOFPSA-N 2 0 360.506 1.316 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129899689 938559475 /nfs/dbraw/zinc/55/94/75/938559475.db2.gz GPKJVOXEAQIBHQ-KURKYZTESA-N 2 0 360.506 1.460 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@@H]1n1ccnn1 ZINC001129945117 938580429 /nfs/dbraw/zinc/58/04/29/938580429.db2.gz DLBXSNIXSLARAD-SJORKVTESA-N 2 0 360.506 1.460 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001130045858 938645261 /nfs/dbraw/zinc/64/52/61/938645261.db2.gz CBSPRNCXPDJCTR-SQNIBIBYSA-N 2 0 362.522 1.562 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@@H]1n1ccnn1 ZINC001130137195 938710015 /nfs/dbraw/zinc/71/00/15/938710015.db2.gz NGJLJMXRKYKVPA-KURKYZTESA-N 2 0 360.506 1.460 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1c1cn(C)cn1 ZINC001130649805 939944877 /nfs/dbraw/zinc/94/48/77/939944877.db2.gz UBEZYQXSQFOMSU-CMKODMSKSA-N 2 0 371.529 1.449 20 30 FDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130728904 940017409 /nfs/dbraw/zinc/01/74/09/940017409.db2.gz OTPQLGNWMFUMAV-ZIFCJYIRSA-N 2 0 359.518 1.755 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001131012407 940444253 /nfs/dbraw/zinc/44/42/53/940444253.db2.gz HVIRNWKOENYDDD-RCCFBDPRSA-N 2 0 357.502 1.202 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1c1cncn1C ZINC001131056033 940482000 /nfs/dbraw/zinc/48/20/00/940482000.db2.gz UEUGJCDXLHITMU-IAGOWNOFSA-N 2 0 369.469 1.296 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@H]1c1cncn1C ZINC001131092015 940495980 /nfs/dbraw/zinc/49/59/80/940495980.db2.gz WUYWELMWLRTWPV-ZHALLVOQSA-N 2 0 359.518 1.304 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131128170 940509865 /nfs/dbraw/zinc/50/98/65/940509865.db2.gz UGIZDVZAMUZFAD-QZTJIDSGSA-N 2 0 359.518 1.756 20 30 FDEDRP C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001131313590 940553225 /nfs/dbraw/zinc/55/32/25/940553225.db2.gz XAMDWUYHISAGIB-BBWFWOEESA-N 2 0 364.490 1.010 20 30 FDEDRP C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001131604949 940774576 /nfs/dbraw/zinc/77/45/76/940774576.db2.gz OTFOXNWKVMFKJG-QRVBRYPASA-N 2 0 365.518 1.126 20 30 FDEDRP C[NH+]1CCC[C@]2(CCN(CC#CCN3CC[C@@]4(C3)CCC[N@@H+](C)C4)C2)C1 ZINC000815144045 941791329 /nfs/dbraw/zinc/79/13/29/941791329.db2.gz RTKDOUGCPNOYJN-VXKWHMMOSA-N 2 0 358.574 1.825 20 30 FDEDRP C=C(C[NH+](C)C)C(=O)Nc1ccc2c(c1)CC[C@@H]2NC(=O)C(=C)C[NH+](C)C ZINC000856017003 970852012 /nfs/dbraw/zinc/85/20/12/970852012.db2.gz IFPMIJJABOFAHG-IBGZPJMESA-N 2 0 370.497 1.964 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001144417732 949063455 /nfs/dbraw/zinc/06/34/55/949063455.db2.gz HSEZTBLLCLFNHV-NRFANRHFSA-N 2 0 357.498 1.780 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)c3[nH]nc4c3C[NH2+]CC4)CC2)c1 ZINC000846701305 951470692 /nfs/dbraw/zinc/47/06/92/951470692.db2.gz VLBNMAYKFUQOBX-UHFFFAOYSA-N 2 0 364.453 1.321 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1c1cnn(C)c1 ZINC001086979428 952993112 /nfs/dbraw/zinc/99/31/12/952993112.db2.gz ZMIPWHUBXUYPMT-ZWKOTPCHSA-N 2 0 359.518 1.755 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001086982439 952995387 /nfs/dbraw/zinc/99/53/87/952995387.db2.gz JZOBYWCDAJKNKV-XUVXKRRUSA-N 2 0 371.529 1.897 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1c1cnn(C)c1 ZINC001087000200 953049482 /nfs/dbraw/zinc/04/94/82/953049482.db2.gz KWMSHMQZKBUBAL-RBUKOAKNSA-N 2 0 359.518 1.612 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001087011009 953102725 /nfs/dbraw/zinc/10/27/25/953102725.db2.gz AIPUKXRACKONFP-OTWHNJEPSA-N 2 0 357.502 1.058 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1c1cnn(C)c1 ZINC001087011328 953103425 /nfs/dbraw/zinc/10/34/25/953103425.db2.gz PVQBMBKTSUHVKF-XUVXKRRUSA-N 2 0 371.529 1.448 20 30 FDEDRP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C[C@]2(C)C1 ZINC001092034763 953995544 /nfs/dbraw/zinc/99/55/44/953995544.db2.gz LHBGPVZFBJEUHF-JBPLPALLSA-N 2 0 351.494 1.745 20 30 FDEDRP COc1ccc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@H](C)C2)cc1C#N ZINC001092503651 955274622 /nfs/dbraw/zinc/27/46/22/955274622.db2.gz CAIRMQGVIPYHAO-ATZDWAIDSA-N 2 0 370.497 1.845 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001093467677 958215792 /nfs/dbraw/zinc/21/57/92/958215792.db2.gz VIAVJXFREAYNIF-QCFAMHMHSA-N 2 0 361.530 1.318 20 30 FDEDRP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C(C)C)C[C@H]1O ZINC001093468356 958218297 /nfs/dbraw/zinc/21/82/97/958218297.db2.gz ZGSUXCLREAZCHX-ZJSJBZJDSA-N 2 0 363.546 1.870 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001093470814 958230839 /nfs/dbraw/zinc/23/08/39/958230839.db2.gz ZZMFWJSMBCGZEX-VURPSTOHSA-N 2 0 361.530 1.318 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3ncc(C)cn3)[C@H](C)C2)CC1 ZINC001094240200 960159110 /nfs/dbraw/zinc/15/91/10/960159110.db2.gz TYCFGCHVGHBSTJ-IEBWSBKVSA-N 2 0 369.513 1.314 20 30 FDEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C[C@H]1C ZINC001181499562 960878311 /nfs/dbraw/zinc/87/83/11/960878311.db2.gz PKWKKXSASCAUKM-RDPOXOKHSA-N 2 0 361.530 1.441 20 30 FDEDRP CC1(C#N)CCC([NH2+]CCOCCOCCOCCOCC[NH3+])CC1 ZINC001173590253 962467665 /nfs/dbraw/zinc/46/76/65/962467665.db2.gz BANDGHCBSVWFKM-UHFFFAOYSA-N 2 0 357.495 1.074 20 30 FDEDRP C=C(C[NH+]1CCCC1)C(=O)N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001183085779 962783515 /nfs/dbraw/zinc/78/35/15/962783515.db2.gz IQEWRTFGLQJUBB-UHFFFAOYSA-N 2 0 357.458 1.402 20 30 FDEDRP C[NH+](C)C1CCN(c2ccc(NC(=O)C#CC3CC[NH2+]CC3)nc2)CC1 ZINC000852873305 967680474 /nfs/dbraw/zinc/68/04/74/967680474.db2.gz RGEFIXGGPRUZMA-UHFFFAOYSA-N 2 0 355.486 1.554 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190323734 967750323 /nfs/dbraw/zinc/75/03/23/967750323.db2.gz CXAOENIQXUXVQO-FGTMMUONSA-N 2 0 362.518 1.086 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1cc(C#N)ccc1F ZINC001190636420 967996429 /nfs/dbraw/zinc/99/64/29/967996429.db2.gz HWCVKCBVDGOQLG-UHFFFAOYSA-N 2 0 370.494 1.591 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)C[C@H]1C[NH+](C)C ZINC000867589889 976447513 /nfs/dbraw/zinc/44/75/13/976447513.db2.gz RIUZBQAMEGRETI-QZTJIDSGSA-N 2 0 364.515 1.059 20 30 FDEDRP COCCOCc1cc(C#N)ccc1N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000882678873 980822103 /nfs/dbraw/zinc/82/21/03/980822103.db2.gz HDVXUBBUKQZHHW-WOJBJXKFSA-N 2 0 374.529 1.897 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(c2c(C#N)cnn2-c2ccccc2)C[C@H]1C[NH+](C)C ZINC000882679455 980823101 /nfs/dbraw/zinc/82/31/01/980823101.db2.gz ZGCKVQWYSZHHIZ-QZTJIDSGSA-N 2 0 352.486 1.920 20 30 FDEDRP CC[NH+]1CCC(n2nccc2NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884180834 982954168 /nfs/dbraw/zinc/95/41/68/982954168.db2.gz LUNMUMMGEGSCJA-HVEKOLDVSA-N 2 0 356.474 1.618 20 30 FDEDRP C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[N@@H+]1CCc2ccccc2C1 ZINC000884205099 982981008 /nfs/dbraw/zinc/98/10/08/982981008.db2.gz MMEDHNVHBRGZPG-SYBQKDCBSA-N 2 0 352.482 1.689 20 30 FDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C1)C2 ZINC000884345610 983104967 /nfs/dbraw/zinc/10/49/67/983104967.db2.gz KEOFYHIHURGTOR-TWEWKZCCSA-N 2 0 356.445 1.608 20 30 FDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C1)C2 ZINC000884345611 983105058 /nfs/dbraw/zinc/10/50/58/983105058.db2.gz KEOFYHIHURGTOR-UXXRCDSJSA-N 2 0 356.445 1.608 20 30 FDEDRP C=CCOc1ccc(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000870018040 985518922 /nfs/dbraw/zinc/51/89/22/985518922.db2.gz UHHVEVSUASYZCI-RTBURBONSA-N 2 0 359.514 1.992 20 30 FDEDRP C#CCN(C(=O)CC[NH+]1CCN(c2ccccn2)CC1)C1CC[NH+](C)CC1 ZINC000886581436 986383454 /nfs/dbraw/zinc/38/34/54/986383454.db2.gz XFPQZVYTCIUAJY-UHFFFAOYSA-N 2 0 369.513 1.150 20 30 FDEDRP C[NH+](C)C[C@@H]1CCN(c2ccc(C#N)c(N3CC[C@@H](C[NH+](C)C)C3)n2)C1 ZINC000293219562 987994449 /nfs/dbraw/zinc/99/44/49/987994449.db2.gz XZVLRCVMVCWEAA-IRXDYDNUSA-N 2 0 356.518 1.729 20 30 FDEDRP C=CC(C)(C)CCCNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000872977107 988367392 /nfs/dbraw/zinc/36/73/92/988367392.db2.gz OYVIRVGNRRMJSL-IAGOWNOFSA-N 2 0 366.550 1.293 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)Nc2ccnc(OC3CC[NH+](C)CC3)c2)CC1 ZINC000371695875 990632351 /nfs/dbraw/zinc/63/23/51/990632351.db2.gz ZCDXTTZFIAPFGI-UHFFFAOYSA-N 2 0 356.470 1.838 20 30 FDEDRP C=CCNC(=O)NC(=O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000374106454 992615251 /nfs/dbraw/zinc/61/52/51/992615251.db2.gz LCBRFSURICLSBT-FUHWJXTLSA-N 2 0 358.486 1.841 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000876918489 992966509 /nfs/dbraw/zinc/96/65/09/992966509.db2.gz ITBRBEBZIGGRIZ-UFYCRDLUSA-N 2 0 368.481 1.490 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000876921101 992967700 /nfs/dbraw/zinc/96/77/00/992967700.db2.gz KEGZCTJOMQORAB-IHPCNDPISA-N 2 0 368.481 1.490 20 30 FDEDRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876922810 992969675 /nfs/dbraw/zinc/96/96/75/992969675.db2.gz LTGBTTCRXVQVJN-RTBURBONSA-N 2 0 352.482 1.982 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000876957473 992982578 /nfs/dbraw/zinc/98/25/78/992982578.db2.gz XHRBXIRPZUIDPX-UYAOXDASSA-N 2 0 352.482 1.983 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000876979321 992994496 /nfs/dbraw/zinc/99/44/96/992994496.db2.gz AZWLQJFVHGCURQ-PXNSSMCTSA-N 2 0 352.482 1.983 20 30 FDEDRP C[C@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCN1c1cc[nH+]cc1 ZINC000880264466 995767160 /nfs/dbraw/zinc/76/71/60/995767160.db2.gz WVPPFBPYDCRKNU-QFBILLFUSA-N 2 0 352.438 1.904 20 30 FDEDRP COC[C@@H](C)NC(=[NH2+])NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000264109152 997402630 /nfs/dbraw/zinc/40/26/30/997402630.db2.gz OIFKPWDJQANPAT-MRXNPFEDSA-N 2 0 363.506 1.147 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCN1c2ccccc2OCC1=O ZINC000267451762 999339682 /nfs/dbraw/zinc/33/96/82/999339682.db2.gz RSBGKFZGBYNBDU-HNNXBMFYSA-N 2 0 359.474 1.191 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)CC1 ZINC000269275806 999466564 /nfs/dbraw/zinc/46/65/64/999466564.db2.gz WWTHGYUIVDCXIF-FQEVSTJZSA-N 2 0 367.497 1.568 20 30 FDEDRP C#CC1(O)CC[NH+](Cc2ccccc2C[NH+]2CCC(O)(C#C)CC2)CC1 ZINC000931151162 1003926200 /nfs/dbraw/zinc/92/62/00/1003926200.db2.gz OLVXNFYNRDGREL-UHFFFAOYSA-N 2 0 352.478 1.607 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(F)c(C#N)c4)C[C@H]32)CC[N@@H+]1C ZINC000959975686 1009240919 /nfs/dbraw/zinc/24/09/19/1009240919.db2.gz UDNFGZHUKUFRBV-FZWVUDROSA-N 2 0 356.445 1.584 20 30 FDEDRP CC(C)[NH+]1CCN(CCC[NH+]2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000192724783 178129786 /nfs/dbraw/zinc/12/97/86/178129786.db2.gz HDOARXPYRIPVMW-UHFFFAOYSA-N 2 0 356.518 1.491 20 30 FDEDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@H](O)COc3ccccc3C#N)C2)CC1 ZINC000528388987 539755260 /nfs/dbraw/zinc/75/52/60/539755260.db2.gz KJSAFZCUMUAXSL-PMACEKPBSA-N 2 0 372.513 1.398 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000550032211 542993396 /nfs/dbraw/zinc/99/33/96/542993396.db2.gz HRGQKSZGKBKAQY-IBGZPJMESA-N 2 0 372.513 1.042 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC000550834488 543183429 /nfs/dbraw/zinc/18/34/29/543183429.db2.gz KSUZOXKKRSTCLC-ROUUACIJSA-N 2 0 364.534 1.354 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000551217805 543253542 /nfs/dbraw/zinc/25/35/42/543253542.db2.gz WTHKBVNJIANZNF-OKZBNKHCSA-N 2 0 364.534 1.400 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)N(CC)C[C@@H]2C)CC1 ZINC000553326668 543609748 /nfs/dbraw/zinc/60/97/48/543609748.db2.gz BIOPKOLLJVXTFO-HOTGVXAUSA-N 2 0 350.507 1.084 20 30 FDEDRP C[N@@H+]1CCC[C@H](NC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000052589837 523213495 /nfs/dbraw/zinc/21/34/95/523213495.db2.gz NBMJCUUXDAKLED-IBGZPJMESA-N 2 0 355.486 1.870 20 30 FDEDRP C[C@H]1C[C@@H](CNC(=[NH2+])NCCCN2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000136876212 524218707 /nfs/dbraw/zinc/21/87/07/524218707.db2.gz WZEHYKVHFUJECC-ICSRJNTNSA-N 2 0 373.545 1.524 20 30 FDEDRP CC(C)(C)OC(=O)N1CCN2C(NC[C@@H]3CC[N@@H+](C4CC4)C3)=[NH+]C[C@H]2C1 ZINC000089120491 524476672 /nfs/dbraw/zinc/47/66/72/524476672.db2.gz UTAXVMDSWBXRFU-HOCLYGCPSA-N 2 0 363.506 1.351 20 30 FDEDRP COc1ccc(CNC(=[NH2+])NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000104159780 525398586 /nfs/dbraw/zinc/39/85/86/525398586.db2.gz BFBGKLIGCXLFHG-GJZGRUSLSA-N 2 0 364.490 1.607 20 30 FDEDRP COc1ccccc1CNC(=[NH2+])NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000170911514 525768721 /nfs/dbraw/zinc/76/87/21/525768721.db2.gz HCVHCMANKJEMGF-UHFFFAOYSA-N 2 0 368.485 1.447 20 30 FDEDRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)cc1 ZINC000120413877 526055465 /nfs/dbraw/zinc/05/54/65/526055465.db2.gz RYJWHWMUWZOLBJ-FQEVSTJZSA-N 2 0 350.466 1.937 20 30 FDEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182963054 535895543 /nfs/dbraw/zinc/89/55/43/535895543.db2.gz QLTAHJDKRBAKTD-INIZCTEOSA-N 2 0 366.506 1.211 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccnc1OCC(F)(F)F ZINC000264098892 537137439 /nfs/dbraw/zinc/13/74/39/537137439.db2.gz NJXUCHHWODHGCQ-CYBMUJFWSA-N 2 0 359.396 1.911 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000363890169 537356626 /nfs/dbraw/zinc/35/66/26/537356626.db2.gz BYICQDIATYBMPE-IBGZPJMESA-N 2 0 363.550 1.447 20 30 FDEDRP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000371375570 537827399 /nfs/dbraw/zinc/82/73/99/537827399.db2.gz VJKXDAAPPVMWRO-QGZVFWFLSA-N 2 0 350.507 1.429 20 30 FDEDRP C=CCN(C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000420202608 538255049 /nfs/dbraw/zinc/25/50/49/538255049.db2.gz JNEMGRDJJMNDPG-UHFFFAOYSA-N 2 0 370.497 1.273 20 30 FDEDRP C[C@H](C[NH+]1CCOCC1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000502080056 538714337 /nfs/dbraw/zinc/71/43/37/538714337.db2.gz UICVKOBLLRAMCO-QGZVFWFLSA-N 2 0 358.486 1.417 20 30 FDEDRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000566109868 547607919 /nfs/dbraw/zinc/60/79/19/547607919.db2.gz VWALNHLWSPMJPF-KRWDZBQOSA-N 2 0 355.404 1.255 20 30 FDEDRP CCCC[NH+]1CCC(NCCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000566792415 547886591 /nfs/dbraw/zinc/88/65/91/547886591.db2.gz WZDDSMLISQADQI-UHFFFAOYSA-N 2 0 350.488 1.581 20 30 FDEDRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000577277743 550639596 /nfs/dbraw/zinc/63/95/96/550639596.db2.gz XXEFQKATJFOURA-LJQANCHMSA-N 2 0 357.502 1.461 20 30 FDEDRP C[NH+](C)C1CCN(CC[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000580184420 550952254 /nfs/dbraw/zinc/95/22/54/550952254.db2.gz AQVWPBSPGHVXGH-IBGZPJMESA-N 2 0 360.502 1.108 20 30 FDEDRP COC(=O)C[C@@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@H]1CC(=O)OC ZINC000585753453 551593579 /nfs/dbraw/zinc/59/35/79/551593579.db2.gz FMXCXCYDLQPAJX-ROUUACIJSA-N 2 0 364.486 1.825 20 30 FDEDRP CC[N@H+](CCO)CCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593514358 552120831 /nfs/dbraw/zinc/12/08/31/552120831.db2.gz VKADMUIBAJGQBA-UHFFFAOYSA-N 2 0 373.501 1.136 20 30 FDEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000594439675 552310297 /nfs/dbraw/zinc/31/02/97/552310297.db2.gz YMVJEZWSOOPAPD-LJQANCHMSA-N 2 0 358.486 1.671 20 30 FDEDRP C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000594804376 552391321 /nfs/dbraw/zinc/39/13/21/552391321.db2.gz YIXQCIXYEKHTCN-HNNXBMFYSA-N 2 0 352.504 1.250 20 30 FDEDRP CN(CC1C[NH+](C)C1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000595653588 552597628 /nfs/dbraw/zinc/59/76/28/552597628.db2.gz PFEXQFMHYGILBM-UHFFFAOYSA-N 2 0 355.486 1.726 20 30 FDEDRP N#CC1(C[C@@H](O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CCOCC1 ZINC000599263248 553007717 /nfs/dbraw/zinc/00/77/17/553007717.db2.gz FQCAYJJMAVJAOY-GOSISDBHSA-N 2 0 351.491 1.102 20 30 FDEDRP CC(C)[C@H](C[NH2+]C[C@H](O)COc1ccccc1C#N)N1CC[NH+](C)CC1 ZINC000600724271 553307647 /nfs/dbraw/zinc/30/76/47/553307647.db2.gz GOTAZFFUMCBHKH-OALUTQOASA-N 2 0 360.502 1.160 20 30 FDEDRP C=C(C)C[C@@H]1NC(=O)N(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000630974816 557965309 /nfs/dbraw/zinc/96/53/09/557965309.db2.gz XSJUGWNNRGGFJD-KRWDZBQOSA-N 2 0 357.458 1.480 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(S(=O)(=O)CC)cc1 ZINC000271943747 674398804 /nfs/dbraw/zinc/39/88/04/674398804.db2.gz MNWQEQLIKWAZDN-HNNXBMFYSA-N 2 0 352.504 1.369 20 30 FDEDRP CC[NH+](CC)[C@H](C)CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089120431 671491687 /nfs/dbraw/zinc/49/16/87/671491687.db2.gz IHHGSPNSDMPRCQ-HUUCEWRRSA-N 2 0 353.511 1.597 20 30 FDEDRP C[C@H](CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)[N@H+](C)C1CC1 ZINC000089120790 671492126 /nfs/dbraw/zinc/49/21/26/671492126.db2.gz VGGWQIWNUSIGIT-UKRRQHHQSA-N 2 0 351.495 1.350 20 30 FDEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CCSC2(CCCCC2)C1 ZINC000261847289 672682398 /nfs/dbraw/zinc/68/23/98/672682398.db2.gz XMPUYVRKKOCGNS-MRXNPFEDSA-N 2 0 353.580 1.559 20 30 FDEDRP C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N1CCSC2(CCCCC2)C1 ZINC000261847288 672682536 /nfs/dbraw/zinc/68/25/36/672682536.db2.gz XMPUYVRKKOCGNS-INIZCTEOSA-N 2 0 353.580 1.559 20 30 FDEDRP CC[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N1CCSC2(CCCCC2)C1 ZINC000261914669 672693088 /nfs/dbraw/zinc/69/30/88/672693088.db2.gz JRYGRBWHTLAIKW-KRWDZBQOSA-N 2 0 367.607 1.949 20 30 FDEDRP CC[NH+]=C(NC[C@@]1(O)CCSC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000262403054 672783611 /nfs/dbraw/zinc/78/36/11/672783611.db2.gz OBLCRXLSNKUQSH-SFHVURJKSA-N 2 0 354.564 1.817 20 30 FDEDRP C[NH+]=C(NC[C@@H]1C[N@H+](CC(C)C)CCO1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262412975 672785394 /nfs/dbraw/zinc/78/53/94/672785394.db2.gz LUKAFDAPAICLQR-YYIAUSFCSA-N 2 0 352.523 1.322 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)C(C)C ZINC000265846461 673001321 /nfs/dbraw/zinc/00/13/21/673001321.db2.gz IMNCBMUDIHRBFZ-KRWDZBQOSA-N 2 0 352.523 1.441 20 30 FDEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000329810895 676657989 /nfs/dbraw/zinc/65/79/89/676657989.db2.gz RAFPKBCNBKRWOO-RKVPGOIHSA-N 2 0 350.507 1.474 20 30 FDEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCS[C@@H]3COCC[C@@H]32)C1 ZINC000330176582 676676677 /nfs/dbraw/zinc/67/66/77/676676677.db2.gz KBMSALYEGBDZKS-IXDOHACOSA-N 2 0 371.547 1.506 20 30 FDEDRP C[NH+]1CCC(CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000330179687 676676897 /nfs/dbraw/zinc/67/68/97/676676897.db2.gz MQCMAGCIEJAADU-QZTJIDSGSA-N 2 0 352.523 1.600 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000371547996 677723509 /nfs/dbraw/zinc/72/35/09/677723509.db2.gz DSEYOVXXPFTAFL-QZTJIDSGSA-N 2 0 350.507 1.268 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)C(C)C ZINC000419565616 680278311 /nfs/dbraw/zinc/27/83/11/680278311.db2.gz FCTGDYHLZVBFTL-YESZJQIVSA-N 2 0 350.507 1.010 20 30 FDEDRP N#Cc1c2c(cnc1N1C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C1)C[NH2+]CCC2 ZINC001167205239 771728482 /nfs/dbraw/zinc/72/84/82/771728482.db2.gz HAQNTNLIOHSXTP-GCJKJVERSA-N 2 0 359.477 1.966 20 30 FDEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC001104289696 773630016 /nfs/dbraw/zinc/63/00/16/773630016.db2.gz PGPOYLKQEPQLPU-GGPKGHCWSA-N 2 0 361.530 1.727 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ccc(OCC#N)cc3)C2)CC[N@@H+]1C ZINC000971561638 777630530 /nfs/dbraw/zinc/63/05/30/777630530.db2.gz YZLZCYDXGLBEBZ-YVWKXTFCSA-N 2 0 370.497 1.962 20 30 FDEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3cncn3C2)C[C@H]1C ZINC001104367022 777928262 /nfs/dbraw/zinc/92/82/62/777928262.db2.gz DJWHNKLGRQNJOA-KZNAEPCWSA-N 2 0 358.486 1.170 20 30 FDEDRP COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N ZINC001026852430 800004801 /nfs/dbraw/zinc/00/48/01/800004801.db2.gz OAKSNIJUYPITQG-HHXXYDBFSA-N 2 0 370.497 1.845 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C(C)C)CCO2)C[C@H]1c1ccccc1 ZINC001211659579 800085053 /nfs/dbraw/zinc/08/50/53/800085053.db2.gz NOXSEPCPKOWXSB-PWRODBHTSA-N 2 0 369.509 1.703 20 30 FDEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1ccccc1 ZINC001211675434 805203192 /nfs/dbraw/zinc/20/31/92/805203192.db2.gz RAMLPISEQMEAAW-SESVDKBCSA-N 2 0 369.509 1.562 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1c1ccccc1 ZINC001211696272 807187883 /nfs/dbraw/zinc/18/78/83/807187883.db2.gz DBVKEPOQKOXPAX-LEWJYISDSA-N 2 0 369.509 1.705 20 30 FDEDRP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C2)C1 ZINC000981774632 808469185 /nfs/dbraw/zinc/46/91/85/808469185.db2.gz FJNGDGIUHBIWSD-MOPGFXCFSA-N 2 0 359.514 1.291 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)C(C)C ZINC000433381563 810489904 /nfs/dbraw/zinc/48/99/04/810489904.db2.gz AIVCQMXOTVNBDS-DLBZAZTESA-N 2 0 360.506 1.631 20 30 FDEDRP C#Cc1cccc(NC(=O)CNC(N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)=[NH+]C)c1 ZINC000261962822 811355469 /nfs/dbraw/zinc/35/54/69/811355469.db2.gz KQIVEHFRWHBENU-RDTXWAMCSA-N 2 0 353.470 1.254 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)C(C)C ZINC000419570867 812024421 /nfs/dbraw/zinc/02/44/21/812024421.db2.gz OFXIRIXDCAHALA-OKZBNKHCSA-N 2 0 364.534 1.245 20 30 FDEDRP Cc1nn(C)c(N2CC[NH+](CCCN3CC[NH+](C(C)C)CC3)CC2)c1C#N ZINC000501920457 813743172 /nfs/dbraw/zinc/74/31/72/813743172.db2.gz UQDRFYMGSOLMIV-UHFFFAOYSA-N 2 0 373.549 1.138 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000442265904 821104465 /nfs/dbraw/zinc/10/44/65/821104465.db2.gz LJYURCSXENSGEW-UHFFFAOYSA-N 2 0 374.485 1.332 20 30 FDEDRP CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[N@@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000329356792 824752497 /nfs/dbraw/zinc/75/24/97/824752497.db2.gz HBOLOWLSZVWYJJ-SFHVURJKSA-N 2 0 372.517 1.418 20 30 FDEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992472 824954327 /nfs/dbraw/zinc/95/43/27/824954327.db2.gz XHGLPQPRUPWDDL-WSTZPKSXSA-N 2 0 359.514 1.433 20 30 FDEDRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccccc4C#N)CC[C@@H]3C2)C1 ZINC001088200142 827434075 /nfs/dbraw/zinc/43/40/75/827434075.db2.gz QTBBFKLTCIIODJ-AABGKKOBSA-N 2 0 352.482 1.790 20 30 FDEDRP COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1 ZINC000303986981 827952095 /nfs/dbraw/zinc/95/20/95/827952095.db2.gz VBCRTCSQRNQPCD-INIZCTEOSA-N 2 0 364.490 1.261 20 30 FDEDRP C#CCN(C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)C1CC[NH+](C)CC1 ZINC000925168448 828303662 /nfs/dbraw/zinc/30/36/62/828303662.db2.gz BBUKZURJUBUZLB-IAGOWNOFSA-N 2 0 350.532 1.305 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)[N@@H+](C)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105642100 842303121 /nfs/dbraw/zinc/30/31/21/842303121.db2.gz HQNHDZKINYJOFP-IKVWTGGYSA-N 2 0 363.546 1.706 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105658466 842502553 /nfs/dbraw/zinc/50/25/53/842502553.db2.gz HEWSBSUNYDSTCD-JYBIWHBTSA-N 2 0 351.535 1.870 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105660696 842573679 /nfs/dbraw/zinc/57/36/79/842573679.db2.gz YJYOTQFWQJYLGG-ANTGDGSKSA-N 2 0 361.530 1.318 20 30 FDEDRP C=CCN1CC[C@@H](N2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@H]2C)C1=O ZINC001088748845 842865421 /nfs/dbraw/zinc/86/54/21/842865421.db2.gz ZAGWECVJPVGOGF-FHLIZLRMSA-N 2 0 367.453 1.314 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C(C)C)C[C@H]1O ZINC001105667072 843498921 /nfs/dbraw/zinc/49/89/21/843498921.db2.gz NRFVEXMKWJDWKC-DCXXXQMHSA-N 2 0 361.530 1.624 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C(C)C)C[C@H]1O ZINC001105668655 843827534 /nfs/dbraw/zinc/82/75/34/843827534.db2.gz YCRUSPLVXHNJQI-WIRSXHRWSA-N 2 0 359.514 1.072 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@H+](C)C(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105672786 845214271 /nfs/dbraw/zinc/21/42/71/845214271.db2.gz DGPYXOGLRRXPTP-JYBIWHBTSA-N 2 0 351.535 1.869 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cnccc4C)C[C@H]32)CC1 ZINC001076604860 848554925 /nfs/dbraw/zinc/55/49/25/848554925.db2.gz UUGJZSHMPJQGLF-PZJWPPBQSA-N 2 0 366.509 1.768 20 30 FDEDRP C#CCN(C(=O)NC1CC[NH+](CCCOC)CC1)C1CC[NH+](C)CC1 ZINC000916324672 881540894 /nfs/dbraw/zinc/54/08/94/881540894.db2.gz RVLQCLAQBQGSLQ-UHFFFAOYSA-N 2 0 350.507 1.226 20 30 FDEDRP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC000669033976 860847341 /nfs/dbraw/zinc/84/73/41/860847341.db2.gz FAOYQXNBSCSCRA-ZACQAIPSSA-N 2 0 360.506 1.530 20 30 FDEDRP C[C@@H]1CN(C)C[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccccc3C#N)C2)O1 ZINC001033183610 881684856 /nfs/dbraw/zinc/68/48/56/881684856.db2.gz COYXTHLHWVTOHI-ATZDWAIDSA-N 2 0 356.470 1.310 20 30 FDEDRP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106878596 881870743 /nfs/dbraw/zinc/87/07/43/881870743.db2.gz SYBFODBNDAIWCI-TZMCWYRMSA-N 2 0 362.312 1.157 20 30 FDEDRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[NH2+]CC#Cc2ccccc2)CC1 ZINC001127570954 888836681 /nfs/dbraw/zinc/83/66/81/888836681.db2.gz HGIFXZXTNPVCKN-RTWAWAEBSA-N 2 0 369.509 1.491 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000923432054 889232216 /nfs/dbraw/zinc/23/22/16/889232216.db2.gz WDAUVDXAPDALEE-HSALFYBXSA-N 2 0 370.497 1.199 20 30 FDEDRP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001212458321 893703215 /nfs/dbraw/zinc/70/32/15/893703215.db2.gz FBOOTEPDTSBMMT-RCCFBDPRSA-N 2 0 367.534 1.515 20 30 FDEDRP C=CCN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1=O ZINC001002858342 894698073 /nfs/dbraw/zinc/69/80/73/894698073.db2.gz CFNLHVHPIAVFKI-KSZLIROESA-N 2 0 362.518 1.084 20 30 FDEDRP C#CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)n1 ZINC001128106843 896955051 /nfs/dbraw/zinc/95/50/51/896955051.db2.gz GXCPPZIQILVEMG-GBESFXJTSA-N 2 0 369.513 1.230 20 30 FDEDRP C#CCN(C(=O)NCc1ccnc(OCC[NH+](C)C)c1)C1CC[NH+](C)CC1 ZINC000921702825 897079404 /nfs/dbraw/zinc/07/94/04/897079404.db2.gz OGVRNHZJINFKQA-UHFFFAOYSA-N 2 0 373.501 1.261 20 30 FDEDRP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127706563 897758621 /nfs/dbraw/zinc/75/86/21/897758621.db2.gz NDLVDINLXFYMJZ-YESZJQIVSA-N 2 0 352.523 1.236 20 30 FDEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001107037631 900019605 /nfs/dbraw/zinc/01/96/05/900019605.db2.gz YLHUNHIERJEWCR-AQNXPRMDSA-N 2 0 363.546 1.831 20 30 FDEDRP C=C(C[NH+](C)C)C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000764463602 904735447 /nfs/dbraw/zinc/73/54/47/904735447.db2.gz WAUCGSOINQFAMQ-LJQANCHMSA-N 2 0 371.529 1.560 20 30 FDEDRP CC[NH+](CC)C[C@H](F)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#CCOC)CC2 ZINC001107424284 904831242 /nfs/dbraw/zinc/83/12/42/904831242.db2.gz GKAWWOFOZDRQLA-NLWGTHIKSA-N 2 0 367.509 1.677 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@H]2C)CC1 ZINC001080997360 906969789 /nfs/dbraw/zinc/96/97/89/906969789.db2.gz AJFPYDRCCUSCLX-OIISXLGYSA-N 2 0 369.456 1.192 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C)nc3C)C[C@H]2C)CC1 ZINC001080998093 906974249 /nfs/dbraw/zinc/97/42/49/906974249.db2.gz SBQHLUQWJAXOKV-IIBYNOLFSA-N 2 0 368.525 1.980 20 30 FDEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000997590289 909271708 /nfs/dbraw/zinc/27/17/08/909271708.db2.gz XBRMQGZANUFKGD-DBVUQKKJSA-N 2 0 361.530 1.583 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC[C@@H]4CCOC4)C[C@H]32)CC1 ZINC001084851066 917658434 /nfs/dbraw/zinc/65/84/34/917658434.db2.gz LRNPIVNEWXWTDS-MISYRCLQSA-N 2 0 359.514 1.291 20 30 FDEDRP C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)C2CC[NH+](C)CC2)C1=O ZINC001085319841 923840467 /nfs/dbraw/zinc/84/04/67/923840467.db2.gz RJRSWNDDOIRSSB-KZNAEPCWSA-N 2 0 362.518 1.132 20 30 FDEDRP C#CCC[NH+]1CCC(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000740739204 925430353 /nfs/dbraw/zinc/43/03/53/925430353.db2.gz ZKQAQIWTDUXKOZ-UHFFFAOYSA-N 2 0 355.486 1.051 20 30 FDEDRP C(#CC[NH+]1CCC(C2OCCO2)CC1)C[NH+]1CCC(C2OCCO2)CC1 ZINC000788476742 932710316 /nfs/dbraw/zinc/71/03/16/932710316.db2.gz SMELRGWCHRDCSU-UHFFFAOYSA-N 2 0 364.486 1.160 20 30 FDEDRP C=C(C[NH+](C)C)C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804446644 938443425 /nfs/dbraw/zinc/44/34/25/938443425.db2.gz MIXVMFVCVBZHTA-FQEVSTJZSA-N 2 0 356.514 1.523 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1n1ccnn1 ZINC001129844172 938525106 /nfs/dbraw/zinc/52/51/06/938525106.db2.gz DWRLTTMFLUZTMM-SJORKVTESA-N 2 0 360.506 1.460 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@@H]1n1ccnn1 ZINC001129883992 938538541 /nfs/dbraw/zinc/53/85/41/938538541.db2.gz DGSLTBWMCBOUJD-SQNIBIBYSA-N 2 0 360.506 1.460 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1n1ccnn1 ZINC001130140026 938712069 /nfs/dbraw/zinc/71/20/69/938712069.db2.gz NHVNDONELZTTCB-MOPGFXCFSA-N 2 0 366.469 1.018 20 30 FDEDRP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001130293268 938796793 /nfs/dbraw/zinc/79/67/93/938796793.db2.gz QDQWNDMNLPCQAR-XLIONFOSSA-N 2 0 362.518 1.132 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130652222 939946492 /nfs/dbraw/zinc/94/64/92/939946492.db2.gz KEIXAXKKJQMEFJ-LSTDLKDCSA-N 2 0 357.502 1.058 20 30 FDEDRP C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](CC)[NH+](C)C)n2)O1 ZINC001130790067 940162609 /nfs/dbraw/zinc/16/26/09/940162609.db2.gz GJEWFXFTMNSITO-RRFJBIMHSA-N 2 0 364.494 1.147 20 30 FDEDRP C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCC[NH+](C)C)n2)O1 ZINC001130804244 940174947 /nfs/dbraw/zinc/17/49/47/940174947.db2.gz AVDWWEYCGWTPIR-LSDHHAIUSA-N 2 0 364.494 1.149 20 30 FDEDRP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@@H+](C)C(C)C)n2)O1 ZINC001130820236 940227757 /nfs/dbraw/zinc/22/77/57/940227757.db2.gz PIFGFFCPJXPSND-LSDHHAIUSA-N 2 0 364.494 1.147 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1c1cncn1C ZINC001131022833 940456478 /nfs/dbraw/zinc/45/64/78/940456478.db2.gz ILAVVNXOFULGSU-GUDVDZBRSA-N 2 0 371.529 1.448 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1cncn1C ZINC001131060213 940479126 /nfs/dbraw/zinc/47/91/26/940479126.db2.gz ZRPIRSGFKYDOMA-QZTJIDSGSA-N 2 0 359.518 1.612 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1c1cncn1C ZINC001131071892 940484937 /nfs/dbraw/zinc/48/49/37/940484937.db2.gz BNBDSDWKAAXUGZ-IAGOWNOFSA-N 2 0 359.518 1.305 20 30 FDEDRP C=CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001131316567 940551136 /nfs/dbraw/zinc/55/11/36/940551136.db2.gz NILDPIUQLDXDAY-ZACQAIPSSA-N 2 0 364.490 1.010 20 30 FDEDRP C[NH+](C)CCOc1ccc(/C=C\C(=O)NC2(C#N)CC[NH+](C)CC2)cc1 ZINC000808646598 940560887 /nfs/dbraw/zinc/56/08/87/940560887.db2.gz QAXJSWAKDCMLCR-TWGQIWQCSA-N 2 0 356.470 1.744 20 30 FDEDRP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001131526461 940711424 /nfs/dbraw/zinc/71/14/24/940711424.db2.gz UCXSBFUUAUSAQD-MOPGFXCFSA-N 2 0 359.514 1.624 20 30 FDEDRP C[NH+]1CCC[C@@]2(CCN(CC#CCN3CC[C@]4(C3)CCC[N@@H+](C)C4)C2)C1 ZINC000815144043 941791562 /nfs/dbraw/zinc/79/15/62/941791562.db2.gz RTKDOUGCPNOYJN-FGZHOGPDSA-N 2 0 358.574 1.825 20 30 FDEDRP C#CCNC(=O)CC[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000818955247 943363897 /nfs/dbraw/zinc/36/38/97/943363897.db2.gz PGUMKOZPSZOLTI-UHFFFAOYSA-N 2 0 356.514 1.626 20 30 FDEDRP C#CCNC(=O)CC[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000819333028 943530116 /nfs/dbraw/zinc/53/01/16/943530116.db2.gz FKBFBLZCLCXNDA-HXUWFJFHSA-N 2 0 369.509 1.644 20 30 FDEDRP C#C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)C1CCOCC1 ZINC000823181827 945523172 /nfs/dbraw/zinc/52/31/72/945523172.db2.gz PAHKSOMGEZSPKT-RBUKOAKNSA-N 2 0 364.534 1.472 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1c1ccc(OC)cc1 ZINC001090874452 947527217 /nfs/dbraw/zinc/52/72/17/947527217.db2.gz CRXBCDZIVXOBMY-XUVXKRRUSA-N 2 0 355.482 1.697 20 30 FDEDRP CC[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O)[NH+](CC)CC ZINC001196116335 971487321 /nfs/dbraw/zinc/48/73/21/971487321.db2.gz XLYCAJKJFUQZPH-CEXWTWQISA-N 2 0 358.486 1.340 20 30 FDEDRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ccccc3C#N)C[C@@]2(C)C1 ZINC001091543146 951980039 /nfs/dbraw/zinc/98/00/39/951980039.db2.gz DEKBKMZCNWEVRH-DYXWJJEUSA-N 2 0 352.482 1.933 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H](C)c3cnccn3)C2)CC1 ZINC001086882452 952914493 /nfs/dbraw/zinc/91/44/93/952914493.db2.gz QYHFKMYZHNEUEO-JENIJYKNSA-N 2 0 369.513 1.757 20 30 FDEDRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)C1 ZINC001092273855 954658871 /nfs/dbraw/zinc/65/88/71/954658871.db2.gz UHYOYFOTLNKRHM-ZVDOUQERSA-N 2 0 352.482 1.790 20 30 FDEDRP COc1ccc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@H](C)C2)cc1C#N ZINC001092503652 955274864 /nfs/dbraw/zinc/27/48/64/955274864.db2.gz CAIRMQGVIPYHAO-LZQZEXGQSA-N 2 0 370.497 1.845 20 30 FDEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCCOCCOCCOCCC[NH3+] ZINC001172302672 961616105 /nfs/dbraw/zinc/61/61/05/961616105.db2.gz OMQIUVCWHDHGTA-SFHVURJKSA-N 2 0 363.502 1.868 20 30 FDEDRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](C3CCC(CC#N)CC3)CC[C@@H]2C1 ZINC001173333264 962005892 /nfs/dbraw/zinc/00/58/92/962005892.db2.gz MUADFESSHYYLGV-JWHDQAAXSA-N 2 0 362.518 1.570 20 30 FDEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001183043698 962756280 /nfs/dbraw/zinc/75/62/80/962756280.db2.gz VYKQIZMOSYOFRZ-WOJBJXKFSA-N 2 0 370.497 1.535 20 30 FDEDRP C=CCC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001185943341 964207404 /nfs/dbraw/zinc/20/74/04/964207404.db2.gz RUUNKIKTLUTGAL-KBAYOESNSA-N 2 0 360.506 1.448 20 30 FDEDRP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001189182191 966808327 /nfs/dbraw/zinc/80/83/27/966808327.db2.gz RBQDGVHTJRISHM-GBESFXJTSA-N 2 0 365.518 1.223 20 30 FDEDRP O=C(C#CC1CC[NH2+]CC1)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000852872931 967680021 /nfs/dbraw/zinc/68/00/21/967680021.db2.gz NFIICYXZFMPIRG-UHFFFAOYSA-N 2 0 368.525 1.314 20 30 FDEDRP C[NH+]1CCN(Cc2ccc(CNC(=O)C#CC3CC[NH2+]CC3)cc2)CC1 ZINC000852873333 967680196 /nfs/dbraw/zinc/68/01/96/967680196.db2.gz SAQJCVIUHLERQM-UHFFFAOYSA-N 2 0 354.498 1.053 20 30 FDEDRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C#CC2CC[NH2+]CC2)cc1F ZINC000852906742 967698553 /nfs/dbraw/zinc/69/85/53/967698553.db2.gz QBWVAFUFCGKKOJ-WMZOPIPTSA-N 2 0 359.445 1.399 20 30 FDEDRP C#CCCN(CCOC)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000853571776 968135197 /nfs/dbraw/zinc/13/51/97/968135197.db2.gz MFKVOLVVDRITAJ-UHFFFAOYSA-N 2 0 373.501 1.275 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC#Cc3ccccc3)C2)CC[N@@H+]1C ZINC001200537546 974812773 /nfs/dbraw/zinc/81/27/73/974812773.db2.gz PRKSJGAMOFMPRD-HLAWJBBLSA-N 2 0 369.509 1.585 20 30 FDEDRP Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867588963 976443962 /nfs/dbraw/zinc/44/39/62/976443962.db2.gz KQNIWNFMJFHIEU-IAGOWNOFSA-N 2 0 364.515 1.227 20 30 FDEDRP CC(C)(C)OC(=O)N1CCN2C(NCc3ccc4c[nH+]cn4c3)=[NH+]C[C@@H]2C1 ZINC000849116548 977329036 /nfs/dbraw/zinc/32/90/36/977329036.db2.gz SIZZEDNPURQLFJ-MRXNPFEDSA-N 2 0 370.457 1.715 20 30 FDEDRP CC[N@@H+]1CC[C@H]1CNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000883893316 982595086 /nfs/dbraw/zinc/59/50/86/982595086.db2.gz ITLXDZCMFUZEFP-IBGZPJMESA-N 2 0 355.486 1.870 20 30 FDEDRP C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[N@@H+]1CCc2ccccc2C1 ZINC000884205096 982980616 /nfs/dbraw/zinc/98/06/16/982980616.db2.gz MMEDHNVHBRGZPG-JIFINUTQSA-N 2 0 352.482 1.689 20 30 FDEDRP CC[NH+]1CCN(c2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)cc2)CC1 ZINC000884233448 983007327 /nfs/dbraw/zinc/00/73/27/983007327.db2.gz QMZTWEKLKXTRRM-BQIYRTECSA-N 2 0 367.497 1.906 20 30 FDEDRP C[N@@H+]1CCCN(c2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)cc2)CC1 ZINC000884235005 983011043 /nfs/dbraw/zinc/01/10/43/983011043.db2.gz KJWFOTWXJWCXFL-BATSVXPKSA-N 2 0 367.497 1.906 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)C(C)C ZINC000884614466 983277876 /nfs/dbraw/zinc/27/78/76/983277876.db2.gz NURXNYGPBBLQAK-FGTMMUONSA-N 2 0 362.518 1.154 20 30 FDEDRP C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000363667895 989382995 /nfs/dbraw/zinc/38/29/95/989382995.db2.gz AASIOEPKLSELPQ-XLIONFOSSA-N 2 0 372.513 1.398 20 30 FDEDRP CCCCCCCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000875215458 991097421 /nfs/dbraw/zinc/09/74/21/991097421.db2.gz WUVYGHXCJGEVHX-INIZCTEOSA-N 2 0 352.523 1.358 20 30 FDEDRP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875555436 991731164 /nfs/dbraw/zinc/73/11/64/991731164.db2.gz SRSGFERLPGQRJA-TVFCKZIOSA-N 2 0 352.523 1.348 20 30 FDEDRP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000876731052 992844926 /nfs/dbraw/zinc/84/49/26/992844926.db2.gz NGLRZMDHYQSGEE-GQIGUUNPSA-N 2 0 370.497 1.751 20 30 FDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000876896670 992957162 /nfs/dbraw/zinc/95/71/62/992957162.db2.gz KLSNHCFZRGFDGD-IRXDYDNUSA-N 2 0 351.878 1.864 20 30 FDEDRP C[C@@H]1C[NH+](Cc2cc(C#N)cc(C[N@@H+]3CC[C@H](O)[C@H](C)C3)c2)CC[C@H]1O ZINC000878464230 993971856 /nfs/dbraw/zinc/97/18/56/993971856.db2.gz SABCKDBFRYJWQL-NBJYBMASSA-N 2 0 357.498 1.964 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000927845481 1001106382 /nfs/dbraw/zinc/10/63/82/1001106382.db2.gz WWUHDHYPYBTCGR-UHFFFAOYSA-N 2 0 368.522 1.600 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000928649494 1001606970 /nfs/dbraw/zinc/60/69/70/1001606970.db2.gz NYBOLGCWEPOPHQ-MRXNPFEDSA-N 2 0 366.506 1.045 20 30 FDEDRP C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000930137268 1002862851 /nfs/dbraw/zinc/86/28/51/1002862851.db2.gz QVURRWFAKWXBOS-RXVVDRJESA-N 2 0 368.525 1.954 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652146929 1016768672 /nfs/dbraw/zinc/76/86/72/1016768672.db2.gz BYHRNEQSBCPPEN-JZXOWHBKSA-N 2 0 350.507 1.565 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](CC#N)C(F)(F)F ZINC000932916730 1005242705 /nfs/dbraw/zinc/24/27/05/1005242705.db2.gz VHZKNEYQFDTFSR-KBPBESRZSA-N 2 0 363.428 1.888 20 30 FDEDRP C[NH+]1CCC2(CC[NH+](CC#CC[N@H+]3CCC4(C3)CC[NH+](C)CC4)C2)CC1 ZINC000639756286 1007548765 /nfs/dbraw/zinc/54/87/65/1007548765.db2.gz UUHYWDNSWABVSR-UHFFFAOYSA-N 4 0 358.574 1.825 20 30 FDEDRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=[NH2+])NC[C@@H]3CCCO3)cc2)C[C@H](C)O1 ZINC000303263265 1008784735 /nfs/dbraw/zinc/78/47/35/1008784735.db2.gz QUMHEVWGFFZQSE-FCEWJHQRSA-N 2 0 360.502 1.879 20 30 FDEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)CC1 ZINC000303880343 1009670672 /nfs/dbraw/zinc/67/06/72/1009670672.db2.gz HCRIZPJNUZZXEM-OAHLLOKOSA-N 2 0 363.506 1.134 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000303881747 1009671104 /nfs/dbraw/zinc/67/11/04/1009671104.db2.gz HUVPZOLRCXJARP-IYBDPMFKSA-N 2 0 367.538 1.880 20 30 FDEDRP CC[C@H](CNC(=[NH2+])NCCCN1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000303906566 1009687869 /nfs/dbraw/zinc/68/78/69/1009687869.db2.gz WFDXCDZVCUAYCF-HXUWFJFHSA-N 2 0 373.545 1.450 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000303971351 1009782846 /nfs/dbraw/zinc/78/28/46/1009782846.db2.gz DLEYPWUHQJICLZ-SFHVURJKSA-N 3 0 361.534 1.906 20 30 FDEDRP [NH2+]=C(NCCCN1CCOCC1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000304764560 1010489617 /nfs/dbraw/zinc/48/96/17/1010489617.db2.gz YDMILVHGCDNULI-IBGZPJMESA-N 2 0 365.566 1.658 20 30 FDEDRP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513818535 539006836 /nfs/dbraw/zinc/00/68/36/539006836.db2.gz FFXXTJXGSQVKDE-YLJYHZDGSA-N 2 0 364.534 1.864 20 30 FDEDRP [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000083034768 524234689 /nfs/dbraw/zinc/23/46/89/524234689.db2.gz LHHUESMWAQPFAK-UKRRQHHQSA-N 2 0 372.391 1.853 20 30 FDEDRP C[NH+]1CCC(CCNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)CC1 ZINC000089120649 524477233 /nfs/dbraw/zinc/47/72/33/524477233.db2.gz RQBSLMBWYFPZDQ-INIZCTEOSA-N 2 0 365.522 1.599 20 30 FDEDRP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174729225 524711347 /nfs/dbraw/zinc/71/13/47/524711347.db2.gz MMTPYOUIMPHINU-IBGZPJMESA-N 2 0 371.529 1.891 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000171740253 526104160 /nfs/dbraw/zinc/10/41/60/526104160.db2.gz TXZMFXLMCXPUBS-UHFFFAOYSA-N 2 0 350.507 1.391 20 30 FDEDRP C[NH+]=C(NC[C@H]1CCCCO1)NCC1(N2CCOCC2)CCCCC1 ZINC000263255654 537002050 /nfs/dbraw/zinc/00/20/50/537002050.db2.gz QNQQYCANFQWSBX-QGZVFWFLSA-N 2 0 352.523 1.756 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000333356728 537348013 /nfs/dbraw/zinc/34/80/13/537348013.db2.gz KLHKLLDLXKUISD-OALUTQOASA-N 2 0 364.534 1.955 20 30 FDEDRP C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000444394110 538158237 /nfs/dbraw/zinc/15/82/37/538158237.db2.gz UJZGQBGJLIYKSL-UHFFFAOYSA-N 2 0 374.489 1.546 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433325686 538223849 /nfs/dbraw/zinc/22/38/49/538223849.db2.gz KGHMHEQUUDMVEU-KRWDZBQOSA-N 2 0 352.523 1.827 20 30 FDEDRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C[C@@H](O)CN(C)CCC#N)cc2)C[C@H](C)O1 ZINC000565291678 547292560 /nfs/dbraw/zinc/29/25/60/547292560.db2.gz AWCLFUHKQUHPQJ-LVCYWYKZSA-N 2 0 374.529 1.592 20 30 FDEDRP C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)CC1 ZINC000565715283 547453198 /nfs/dbraw/zinc/45/31/98/547453198.db2.gz UFGVCWHOCWPQAT-KRWDZBQOSA-N 2 0 372.473 1.862 20 30 FDEDRP CN(CCC#N)C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000567378285 548098077 /nfs/dbraw/zinc/09/80/77/548098077.db2.gz WCELQJAKFFWHNS-VTHDOGFWSA-N 2 0 356.514 1.978 20 30 FDEDRP C[C@@H]1C[NH+](CC2CC[NH+](C[C@H]3CNc4c(C#N)cnn4C3)CC2)C[C@@H](C)O1 ZINC000568090193 548394052 /nfs/dbraw/zinc/39/40/52/548394052.db2.gz WYLRBRMFOYENGN-JFIYKMOQSA-N 2 0 372.517 1.618 20 30 FDEDRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000571816133 549771823 /nfs/dbraw/zinc/77/18/23/549771823.db2.gz QEWXZUCYGYFTEP-UHFFFAOYSA-N 2 0 357.502 1.869 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000580315478 550966219 /nfs/dbraw/zinc/96/62/19/550966219.db2.gz BBFYPXRSDBCMSP-HOJAQTOUSA-N 2 0 359.470 1.265 20 30 FDEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000591739396 551905218 /nfs/dbraw/zinc/90/52/18/551905218.db2.gz OAMIYUULHYDNGI-IEBWSBKVSA-N 2 0 360.502 1.161 20 30 FDEDRP N#CCc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000591741261 551905502 /nfs/dbraw/zinc/90/55/02/551905502.db2.gz DIKHERHHEBKWGS-UYAOXDASSA-N 2 0 373.497 1.583 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC1(C#N)CCOCC1 ZINC000597053661 552740286 /nfs/dbraw/zinc/74/02/86/552740286.db2.gz RTSUWPBRGZAQII-KRWDZBQOSA-N 2 0 350.507 1.571 20 30 FDEDRP C[C@H]1CC[C@@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[NH2+]1 ZINC000599921907 553174808 /nfs/dbraw/zinc/17/48/08/553174808.db2.gz FERFTFKVVSAWTP-HNAYVOBHSA-N 2 0 355.486 1.962 20 30 FDEDRP C[NH2+]CCOCCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000599936936 553177797 /nfs/dbraw/zinc/17/77/97/553177797.db2.gz QHRRFVQVECGEQQ-UHFFFAOYSA-N 2 0 359.474 1.012 20 30 FDEDRP CN([C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)S(=O)(=O)CCCC#N ZINC000246069754 672484551 /nfs/dbraw/zinc/48/45/51/672484551.db2.gz BORNBDHACQRQRF-ZWKOTPCHSA-N 2 0 370.563 1.889 20 30 FDEDRP C[NH+]=C(NC[C@H]1CCCS1)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000261939142 672697880 /nfs/dbraw/zinc/69/78/80/672697880.db2.gz DDZPDTFXZRICMD-QGZVFWFLSA-N 2 0 367.607 1.997 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Cl)c2c(c1)OCCO2 ZINC000262003735 672710205 /nfs/dbraw/zinc/71/02/05/672710205.db2.gz QNYGUTOWTVDQEX-CYBMUJFWSA-N 2 0 352.866 2.000 20 30 FDEDRP CC[NH+]=C(NC[C@H](C)[N@@H+]1CCCC[C@H]1C)NC1CCN(C(C)=O)CC1 ZINC000262191174 672743723 /nfs/dbraw/zinc/74/37/23/672743723.db2.gz GADBHMXGTMDBHO-CVEARBPZSA-N 2 0 351.539 1.815 20 30 FDEDRP CC[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262756623 672842918 /nfs/dbraw/zinc/84/29/18/672842918.db2.gz DMWCXUVQEFMXDF-IEBWSBKVSA-N 2 0 367.607 1.949 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)c1ccccc1Cl ZINC000264131908 672902096 /nfs/dbraw/zinc/90/20/96/672902096.db2.gz UDRBMPYITBNBCU-CYBMUJFWSA-N 2 0 351.882 1.458 20 30 FDEDRP CCC(CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)N1CCOCC1 ZINC000303790336 676543021 /nfs/dbraw/zinc/54/30/21/676543021.db2.gz WBWJMVGDCKAXNH-QZTJIDSGSA-N 2 0 353.555 1.512 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1csc(N2CCCC2)n1 ZINC000304756543 676544358 /nfs/dbraw/zinc/54/43/58/676544358.db2.gz NTGJTTCJVIGRNR-OAHLLOKOSA-N 2 0 350.536 1.674 20 30 FDEDRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)CC1 ZINC000328848452 676609574 /nfs/dbraw/zinc/60/95/74/676609574.db2.gz WAOOQZRFBUIALD-KSZLIROESA-N 2 0 353.507 1.678 20 30 FDEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCS[C@@H]3COCC[C@H]32)C1 ZINC000330176581 676676726 /nfs/dbraw/zinc/67/67/26/676676726.db2.gz KBMSALYEGBDZKS-BRWVUGGUSA-N 2 0 371.547 1.506 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(C[C@@H](C)O)CC1)C(C)C ZINC000480570653 686190381 /nfs/dbraw/zinc/19/03/81/686190381.db2.gz WGVSMYYBLXNHJM-QZTJIDSGSA-N 2 0 352.523 1.393 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC(CC)([NH+](C)C)CC2)CC1 ZINC000636675815 695195120 /nfs/dbraw/zinc/19/51/20/695195120.db2.gz BFYJEENTJWPYKJ-UHFFFAOYSA-N 2 0 350.507 1.086 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001104363952 777490748 /nfs/dbraw/zinc/49/07/48/777490748.db2.gz PWZVKIAAKQJBTF-BRWVUGGUSA-N 2 0 366.550 1.482 20 30 FDEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001104379092 779104294 /nfs/dbraw/zinc/10/42/94/779104294.db2.gz XTLODHQTDXSWAL-AQNXPRMDSA-N 2 0 363.546 1.831 20 30 FDEDRP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001104589052 788759679 /nfs/dbraw/zinc/75/96/79/788759679.db2.gz TVUHKWPCQRVUJQ-YDZRNGNQSA-N 2 0 351.535 1.994 20 30 FDEDRP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001104755130 793422160 /nfs/dbraw/zinc/42/21/60/793422160.db2.gz PYSSCZOWUNUSPZ-IEBWSBKVSA-N 2 0 351.535 1.995 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccon3)C2)CC1 ZINC001105062305 795107168 /nfs/dbraw/zinc/10/71/68/795107168.db2.gz LLZIZEVJCLHYRQ-SJLPKXTDSA-N 2 0 358.486 1.594 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)CC1 ZINC000364239996 795515448 /nfs/dbraw/zinc/51/54/48/795515448.db2.gz ABTWKCNWFPRWER-APWZRJJASA-N 2 0 374.533 1.753 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(C#N)c(F)c3)C2)CC[N@@H+]1C ZINC001026853182 800009005 /nfs/dbraw/zinc/00/90/05/800009005.db2.gz ZRUUNBOFGRMUEV-QGPMSJSTSA-N 2 0 358.461 1.976 20 30 FDEDRP C=CC[C@@]1(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CCC[NH2+]1 ZINC000662700649 806972659 /nfs/dbraw/zinc/97/26/59/806972659.db2.gz JFSNUQUMVKCADF-IBGZPJMESA-N 2 0 358.442 1.793 20 30 FDEDRP C=CC[C@@]1(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662755525 803052173 /nfs/dbraw/zinc/05/21/73/803052173.db2.gz ZYKUADYPGDSIHP-NRFANRHFSA-N 2 0 356.514 1.619 20 30 FDEDRP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000520606832 820212518 /nfs/dbraw/zinc/21/25/18/820212518.db2.gz VQWWXUIPAVSXGV-UHFFFAOYSA-N 2 0 368.485 1.520 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cc(C)ncn3)[C@@H]2CC)CC1 ZINC001087840064 822558776 /nfs/dbraw/zinc/55/87/76/822558776.db2.gz FWYGGNYVAZSBGU-VQTJNVASSA-N 2 0 369.513 1.599 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000525510078 828635167 /nfs/dbraw/zinc/63/51/67/828635167.db2.gz XEAHCPSIJNXJTE-NRFANRHFSA-N 2 0 372.513 1.573 20 30 FDEDRP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CCC[NH+]1C ZINC000329152300 824632722 /nfs/dbraw/zinc/63/27/22/824632722.db2.gz APMQSNAGHXHIGJ-KCITZHQASA-N 2 0 374.533 1.743 20 30 FDEDRP C[NH+](C)C1CCN(CCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CC1 ZINC000262464988 827051977 /nfs/dbraw/zinc/05/19/77/827051977.db2.gz STYDDUJJZVDMSJ-UHFFFAOYSA-N 2 0 361.490 1.601 20 30 FDEDRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cc(C#N)ccc4F)CC[C@@H]3C2)C1 ZINC001088199844 827433380 /nfs/dbraw/zinc/43/33/80/827433380.db2.gz FDCBHGZKCFXBHS-AOIWGVFYSA-N 2 0 370.472 1.929 20 30 FDEDRP C[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000262808370 831522578 /nfs/dbraw/zinc/52/25/78/831522578.db2.gz QPAZXWOBQHZGOF-NVXWUHKLSA-N 2 0 367.501 1.725 20 30 FDEDRP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001088571788 834849418 /nfs/dbraw/zinc/84/94/18/834849418.db2.gz NNYSPQJLLWBOAU-XPGWFJOJSA-N 2 0 352.482 1.979 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105652432 842453655 /nfs/dbraw/zinc/45/36/55/842453655.db2.gz MMPCCFJRZHQQPQ-NEYJZJCJSA-N 2 0 361.530 1.318 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[N@@H+](C)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105666704 843297125 /nfs/dbraw/zinc/29/71/25/843297125.db2.gz IMAJKJAXRWGJHP-IZBJGVDFSA-N 2 0 351.535 1.870 20 30 FDEDRP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[N@@H+](C)CCC)[C@H]2C(C)C)C[C@H]1O ZINC001105667166 843517758 /nfs/dbraw/zinc/51/77/58/843517758.db2.gz OXDOKUOACIDJTC-JYBIWHBTSA-N 2 0 351.535 1.870 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C(C)C)C[C@H]1O ZINC001105668654 843828330 /nfs/dbraw/zinc/82/83/30/843828330.db2.gz YCRUSPLVXHNJQI-NEYJZJCJSA-N 2 0 359.514 1.072 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)N1CCN(C(=O)C(=C)CC[NH+](C)C)[C@H](C)C1 ZINC000907462784 854248057 /nfs/dbraw/zinc/24/80/57/854248057.db2.gz ZGFICHBVYRWZSZ-QGZVFWFLSA-N 2 0 350.507 1.062 20 30 FDEDRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001106878377 881869346 /nfs/dbraw/zinc/86/93/46/881869346.db2.gz OHBMNTYSVSKMLD-HUUCEWRRSA-N 2 0 364.515 1.382 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC[C@H]3CCCCO3)[C@@H]2C)CC1 ZINC001089059225 866383581 /nfs/dbraw/zinc/38/35/81/866383581.db2.gz FDBCMCZYMGABSH-RLLQIKCJSA-N 2 0 361.530 1.870 20 30 FDEDRP C#CCN(C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C1CC[NH+](C)CC1 ZINC000913921622 869999595 /nfs/dbraw/zinc/99/95/95/869999595.db2.gz UKQHVJZAGTXXQU-SFHVURJKSA-N 2 0 350.507 1.082 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106672258 876513490 /nfs/dbraw/zinc/51/34/90/876513490.db2.gz MYHMKRBWWMAKQC-IXDOHACOSA-N 2 0 364.534 1.093 20 30 FDEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001106680972 876550335 /nfs/dbraw/zinc/55/03/35/876550335.db2.gz OVFGCSQIWGUAJQ-DJIMGWMZSA-N 2 0 357.926 1.924 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CC1 ZINC000919052962 885252103 /nfs/dbraw/zinc/25/21/03/885252103.db2.gz WXNFJDXDUBSMIP-MJGOQNOKSA-N 2 0 364.534 1.520 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001106898167 886379228 /nfs/dbraw/zinc/37/92/28/886379228.db2.gz WUHCMAAYVPSZGV-BRWVUGGUSA-N 2 0 352.523 1.093 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000923388183 889097903 /nfs/dbraw/zinc/09/79/03/889097903.db2.gz MIKZPCAVKAAJPN-XFKSJGNHSA-N 2 0 359.470 1.516 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3cccc(C)c3)C[C@@H]2O)CC1 ZINC001084088043 913360167 /nfs/dbraw/zinc/36/01/67/913360167.db2.gz NHZGPJZELYGYNW-UIFIKXQLSA-N 2 0 369.509 1.563 20 30 FDEDRP CC[C@H](C(=O)N[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1OC)[NH+](C)C ZINC001212461134 893836169 /nfs/dbraw/zinc/83/61/69/893836169.db2.gz RHNCTYHKPRKHCA-KZNAEPCWSA-N 2 0 362.449 1.353 20 30 FDEDRP C=CCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079260541 902297962 /nfs/dbraw/zinc/29/79/62/902297962.db2.gz BEXAHAXAAPQANA-GBESFXJTSA-N 2 0 361.530 1.986 20 30 FDEDRP CC#CC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n2)C1 ZINC001127832854 906473568 /nfs/dbraw/zinc/47/35/68/906473568.db2.gz QUIQRFPMEMNEOJ-BHIYHBOVSA-N 2 0 369.513 1.230 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCn3nc(C)cc3C)C[C@H]2C)CC1 ZINC001080997755 906972133 /nfs/dbraw/zinc/97/21/33/906972133.db2.gz KEZRSZJIOYKCKW-OXQOHEQNSA-N 2 0 371.529 1.282 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1c1ccccc1 ZINC001081204983 907393123 /nfs/dbraw/zinc/39/31/23/907393123.db2.gz JNHWBDOOBHUCJO-VQTJNVASSA-N 2 0 355.482 1.315 20 30 FDEDRP CC[NH+]=C(NC[C@H](C)[NH+]1CCC(C)CC1)N1CCN(c2ncccn2)CC1 ZINC000073446930 909732284 /nfs/dbraw/zinc/73/22/84/909732284.db2.gz KVBVKJXTYNJNQN-SFHVURJKSA-N 2 0 373.549 1.685 20 30 FDEDRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082861812 910524486 /nfs/dbraw/zinc/52/44/86/910524486.db2.gz PKPRRDSKCULBJA-IDHHARJASA-N 2 0 358.461 1.976 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCc3ccns3)C2)CC1 ZINC001082941008 911015472 /nfs/dbraw/zinc/01/54/72/911015472.db2.gz IRJOTWPHONSRTH-CRAIPNDOSA-N 2 0 360.527 1.467 20 30 FDEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@H](OC)C1 ZINC001212406552 911424268 /nfs/dbraw/zinc/42/42/68/911424268.db2.gz XVCFQIDSVOLING-GUDVDZBRSA-N 2 0 365.518 1.411 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CCC(F)(F)F)C[C@H]32)CC1 ZINC001084850999 917657034 /nfs/dbraw/zinc/65/70/34/917657034.db2.gz IGNOSCBYUHSYED-HZPDHXFCSA-N 2 0 357.420 1.817 20 30 FDEDRP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]21 ZINC001084942541 918602626 /nfs/dbraw/zinc/60/26/26/918602626.db2.gz CEQMMTQXDVFLHK-MJGOQNOKSA-N 2 0 359.518 1.947 20 30 FDEDRP COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001112585377 931790206 /nfs/dbraw/zinc/79/02/06/931790206.db2.gz UUCLDDUINMAGFX-FPOVZHCZSA-N 2 0 361.530 1.731 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@@H]1n1ccnn1 ZINC001129849920 938526637 /nfs/dbraw/zinc/52/66/37/938526637.db2.gz BRLZNQGDJBIIKJ-MLHJIOFPSA-N 2 0 360.506 1.316 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001130046071 938645317 /nfs/dbraw/zinc/64/53/17/938645317.db2.gz GKQANVACZBKWPL-FGTMMUONSA-N 2 0 362.522 1.562 20 30 FDEDRP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001130292786 938796386 /nfs/dbraw/zinc/79/63/86/938796386.db2.gz BKVMGZCQLGTNMQ-NEWSRXKRSA-N 2 0 364.534 1.234 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1c1cn(C)cn1 ZINC001130628167 939925485 /nfs/dbraw/zinc/92/54/85/939925485.db2.gz CCBXKASUCXVZFB-PKOBYXMFSA-N 2 0 362.437 1.289 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130652441 939946844 /nfs/dbraw/zinc/94/68/44/939946844.db2.gz UXKICTNTRQFFIG-LSTDLKDCSA-N 2 0 359.518 1.611 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130675630 939973519 /nfs/dbraw/zinc/97/35/19/939973519.db2.gz ZDGVQEWMCONUOB-UHOSZYNNSA-N 2 0 359.518 1.448 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130731528 940044924 /nfs/dbraw/zinc/04/49/24/940044924.db2.gz IESJCJXKDKJIJW-PKOBYXMFSA-N 2 0 357.502 1.203 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1cncn1C ZINC001130994313 940417103 /nfs/dbraw/zinc/41/71/03/940417103.db2.gz SHIGYTLAEYOJCM-BRSBDYLESA-N 2 0 359.518 1.611 20 30 FDEDRP C#CCC[NH+]1CCC(NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000747405271 940419205 /nfs/dbraw/zinc/41/92/05/940419205.db2.gz YDSZVADJQPFBFX-NRFANRHFSA-N 2 0 355.482 1.227 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001131012406 940444153 /nfs/dbraw/zinc/44/41/53/940444153.db2.gz HVIRNWKOENYDDD-KZNAEPCWSA-N 2 0 357.502 1.202 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1c1cncn1C ZINC001131031832 940469299 /nfs/dbraw/zinc/46/92/99/940469299.db2.gz ZFOFWICHCCWOFG-QZTJIDSGSA-N 2 0 362.437 1.289 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1c1cncn1C ZINC001131084469 940489338 /nfs/dbraw/zinc/48/93/38/940489338.db2.gz UMTFEAHAWRMXRY-QZTJIDSGSA-N 2 0 357.502 1.059 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1c1cncn1C ZINC001131096854 940497427 /nfs/dbraw/zinc/49/74/27/940497427.db2.gz NXULOAOYMCYUSZ-QZTJIDSGSA-N 2 0 357.502 1.059 20 30 FDEDRP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001131564760 940740863 /nfs/dbraw/zinc/74/08/63/940740863.db2.gz UVPLSUAEXLTPPH-QUCCMNQESA-N 2 0 363.546 1.973 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000845448450 949231397 /nfs/dbraw/zinc/23/13/97/949231397.db2.gz KDXUCTRTHSDZKM-MRXNPFEDSA-N 2 0 368.522 1.598 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCC[C@H](C[NH3+])C3)CC2)c1 ZINC000846213112 950785350 /nfs/dbraw/zinc/78/53/50/950785350.db2.gz GSBNQAWQBDYFCX-GOSISDBHSA-N 2 0 355.486 1.903 20 30 FDEDRP COC(=O)[C@H](C[NH3+])Cc1ccc(NC(=[NH2+])c2ccc(C(N)=O)cc2)cc1 ZINC001171258571 951725635 /nfs/dbraw/zinc/72/56/35/951725635.db2.gz FAPKKRHCVWROFT-HNNXBMFYSA-N 2 0 354.410 1.113 20 30 FDEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1 ZINC001091543988 951981978 /nfs/dbraw/zinc/98/19/78/951981978.db2.gz SXXMARVDZDGZGR-SBHAEUEKSA-N 2 0 352.482 1.933 20 30 FDEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091679293 952611888 /nfs/dbraw/zinc/61/18/88/952611888.db2.gz AURNLTVAGFXBMC-BNDYYXHWSA-N 2 0 361.530 1.700 20 30 FDEDRP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@]2(C)C1 ZINC001091679797 952624559 /nfs/dbraw/zinc/62/45/59/952624559.db2.gz MTTACUNJGNCNPC-XLIONFOSSA-N 2 0 359.518 1.805 20 30 FDEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735078 952754021 /nfs/dbraw/zinc/75/40/21/952754021.db2.gz IDEBNXWNHDDCNP-QFUCXCTJSA-N 2 0 359.514 1.433 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1c1cnn(C)c1 ZINC001086982109 953034812 /nfs/dbraw/zinc/03/48/12/953034812.db2.gz UCGUXVOSFKRJEY-NZSAHSFTSA-N 2 0 359.518 1.468 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2C)CC1 ZINC001093224337 957854181 /nfs/dbraw/zinc/85/41/81/957854181.db2.gz QXAQBNKIGDHTLZ-IEBWSBKVSA-N 2 0 361.530 1.585 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3cc(C)n(C)n3)C[C@H]2C)CC1 ZINC001093224444 957856984 /nfs/dbraw/zinc/85/69/84/957856984.db2.gz WKCYBOTYVWXSLA-VQIMIIECSA-N 2 0 371.529 1.258 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001093461081 958192128 /nfs/dbraw/zinc/19/21/28/958192128.db2.gz CNYSPIDCNOJMON-XCJLJZCSSA-N 2 0 363.546 1.870 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001093673263 958516537 /nfs/dbraw/zinc/51/65/37/958516537.db2.gz NTJVQLMMCIAXRP-LSBZLQRGSA-N 2 0 358.461 1.976 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001094219160 960035800 /nfs/dbraw/zinc/03/58/00/960035800.db2.gz FRVBTNVWMBQDEE-SZVBFZGTSA-N 2 0 370.497 1.703 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3cncs3)[C@H](C)C2)CC1 ZINC001094239841 960158162 /nfs/dbraw/zinc/15/81/62/960158162.db2.gz HKUHWEAMHSCOBD-NVXWUHKLSA-N 2 0 360.527 1.672 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3cn(C)nc3C)[C@H](C)C2)CC1 ZINC001094239967 960158294 /nfs/dbraw/zinc/15/82/94/960158294.db2.gz LKVMQRJNJIPKRO-VQIMIIECSA-N 2 0 371.529 1.258 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3cccnc3C)[C@H](C)C2)CC1 ZINC001094240430 960160643 /nfs/dbraw/zinc/16/06/43/960160643.db2.gz YSTOQLUACSAZMM-DYESRHJHSA-N 2 0 368.525 1.919 20 30 FDEDRP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001189424889 966968932 /nfs/dbraw/zinc/96/89/32/966968932.db2.gz GERHHXHDWBONJA-VQTJNVASSA-N 2 0 355.482 1.544 20 30 FDEDRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)C1 ZINC000852863133 967668478 /nfs/dbraw/zinc/66/84/78/967668478.db2.gz ACCAGHOVRFRRPB-GOSISDBHSA-N 2 0 368.481 1.325 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190319178 967731924 /nfs/dbraw/zinc/73/19/24/967731924.db2.gz YHFJLXJQPQFLOK-FGTMMUONSA-N 2 0 362.518 1.086 20 30 FDEDRP N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)cc1 ZINC001198729167 973426497 /nfs/dbraw/zinc/42/64/97/973426497.db2.gz DZKUMDBJRPSSMV-WOJBJXKFSA-N 2 0 370.497 1.486 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000849064021 977299907 /nfs/dbraw/zinc/29/99/07/977299907.db2.gz YPHQLKGBIURVKC-FQEVSTJZSA-N 2 0 373.545 1.396 20 30 FDEDRP C[NH+]1CCN(c2ccccc2NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884233599 983007348 /nfs/dbraw/zinc/00/73/48/983007348.db2.gz SUBACEYUUYONSN-NGEICVOHSA-N 2 0 353.470 1.516 20 30 FDEDRP C#CCN1CCC[C@H](NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000884308312 983072616 /nfs/dbraw/zinc/07/26/16/983072616.db2.gz LRQSVVBYNBTSOW-UXHICEINSA-N 2 0 354.498 1.905 20 30 FDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)C2 ZINC000884404189 983140337 /nfs/dbraw/zinc/14/03/37/983140337.db2.gz FMVDFCFUNRXOEM-RXSYBUAVSA-N 2 0 356.445 1.527 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000360890815 988195104 /nfs/dbraw/zinc/19/51/04/988195104.db2.gz UBOXUCWZFGOVNS-RBUKOAKNSA-N 2 0 364.534 1.658 20 30 FDEDRP CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)CC1 ZINC000362308612 988630530 /nfs/dbraw/zinc/63/05/30/988630530.db2.gz GDGDJPHVKMWSMM-ZRNYENFQSA-N 2 0 373.545 1.095 20 30 FDEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000296201414 989034711 /nfs/dbraw/zinc/03/47/11/989034711.db2.gz CNEYGWDKQFQSNS-FQEVSTJZSA-N 2 0 356.514 1.805 20 30 FDEDRP C#CC[N@H+](C)CCCNC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000297868764 989733224 /nfs/dbraw/zinc/73/32/24/989733224.db2.gz IKEBNNKSZSCWKE-UHFFFAOYSA-N 2 0 372.513 1.398 20 30 FDEDRP COCCC[NH+]1CCC(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876750138 992869055 /nfs/dbraw/zinc/86/90/55/992869055.db2.gz FBDJCNLOMCKVEQ-IBGZPJMESA-N 2 0 356.470 1.362 20 30 FDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000876751999 992872439 /nfs/dbraw/zinc/87/24/39/992872439.db2.gz DEFVJFZRTAHDNM-QGZVFWFLSA-N 2 0 351.878 1.729 20 30 FDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000876777716 992902828 /nfs/dbraw/zinc/90/28/28/992902828.db2.gz POSPECPNDANEIX-AWEZNQCLSA-N 2 0 358.914 1.199 20 30 FDEDRP [NH2+]=C(NCCCN1CCOCC1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000264063380 997393107 /nfs/dbraw/zinc/39/31/07/997393107.db2.gz ACCASSRQLHZDDD-UHFFFAOYSA-N 2 0 359.518 1.061 20 30 FDEDRP CCN1CC[NH+](CCCCNC(=[NH2+])Nc2ccc(OC)c(OC)c2)CC1 ZINC000264067213 997393358 /nfs/dbraw/zinc/39/33/58/997393358.db2.gz BTDRFASLMYXZJH-UHFFFAOYSA-N 2 0 363.506 1.848 20 30 FDEDRP C[NH+]=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCc1ccco1 ZINC000264072556 997395063 /nfs/dbraw/zinc/39/50/63/997395063.db2.gz SDZYOHMWZLYXAP-UHFFFAOYSA-N 3 0 356.474 1.552 20 30 FDEDRP CC(C)[N@H+](C)Cc1ccccc1CNC(=[NH2+])NCCCN1CCOCC1 ZINC000264079365 997397193 /nfs/dbraw/zinc/39/71/93/997397193.db2.gz IFEZPQNWAMKDJC-UHFFFAOYSA-N 3 0 361.534 1.653 20 30 FDEDRP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)c1 ZINC000264082464 997398476 /nfs/dbraw/zinc/39/84/76/997398476.db2.gz HZQQXBFXNZDFNE-UHFFFAOYSA-N 2 0 367.501 1.565 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000104170647 998313904 /nfs/dbraw/zinc/31/39/04/998313904.db2.gz KQFJZUDJTPJNIJ-QUCCMNQESA-N 2 0 372.561 1.586 20 30 FDEDRP C#CCN(C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000931062596 1003835257 /nfs/dbraw/zinc/83/52/57/1003835257.db2.gz RNGAZGMPXYMJQN-LJQANCHMSA-N 2 0 374.529 1.066 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1)C(C)C ZINC000642769869 1007890804 /nfs/dbraw/zinc/89/08/04/1007890804.db2.gz OVNSVUNWYLRPTC-FGTMMUONSA-N 2 0 364.534 1.387 20 30 FDEDRP CC[NH+]1CCN(c2ccc(CNC(NCc3ccco3)=[NH+]C)cn2)CC1 ZINC000303404274 1009044676 /nfs/dbraw/zinc/04/46/76/1009044676.db2.gz OVKLCZFPHQNICM-UHFFFAOYSA-N 2 0 356.474 1.682 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(C#N)c(F)c4)C[C@H]32)CC[N@@H+]1C ZINC000959973845 1009236579 /nfs/dbraw/zinc/23/65/79/1009236579.db2.gz NAJOXVVKMCBMND-FZWVUDROSA-N 2 0 356.445 1.584 20 30 FDEDRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH+]=C(NCc1ccccc1)N(C)C ZINC000303972088 1009783408 /nfs/dbraw/zinc/78/34/08/1009783408.db2.gz FMQJWWQNYFPFDK-SFHVURJKSA-N 2 0 359.518 1.637 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530579374 540004491 /nfs/dbraw/zinc/00/44/91/540004491.db2.gz CRHFFIYILYCWCG-NRFANRHFSA-N 2 0 357.498 1.780 20 30 FDEDRP CC(C)[NH+]1CCN(CCC[NH+]2CCN(c3ccc(C#N)nc3)CC2)CC1 ZINC000374620707 261163992 /nfs/dbraw/zinc/16/39/92/261163992.db2.gz NPROPXXJGSXSJS-UHFFFAOYSA-N 2 0 356.518 1.491 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NCc2ccc(OCC[NH+](C)C)c(OC)c2)CC1 ZINC000101518303 525223135 /nfs/dbraw/zinc/22/31/35/525223135.db2.gz AJIVXVWIEMUQPG-UHFFFAOYSA-N 2 0 373.497 1.597 20 30 FDEDRP C[NH+](C)CCOc1cc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)ccn1 ZINC000134550675 526164767 /nfs/dbraw/zinc/16/47/67/526164767.db2.gz KTJCYOKUISUCHS-QGZVFWFLSA-N 2 0 369.469 1.950 20 30 FDEDRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182965649 535896500 /nfs/dbraw/zinc/89/65/00/535896500.db2.gz WIWVVPGRQAVZHP-HXUWFJFHSA-N 2 0 369.513 1.623 20 30 FDEDRP C[NH+]=C(NCC[N@H+](C)C1CCCC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000262814692 536908764 /nfs/dbraw/zinc/90/87/64/536908764.db2.gz WIKOJIULAYHUKT-UHFFFAOYSA-N 2 0 361.490 1.487 20 30 FDEDRP NC(=NOCC[NH+]1CCCCC1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000194391072 537275715 /nfs/dbraw/zinc/27/57/15/537275715.db2.gz WTPCBLAXWWETKT-UHFFFAOYSA-N 2 0 360.502 1.766 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000299356168 537556805 /nfs/dbraw/zinc/55/68/05/537556805.db2.gz PZCXTVKYQBEUPO-UHFFFAOYSA-N 2 0 354.498 1.718 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](CCCC)CC2)CC1 ZINC000560865250 545622252 /nfs/dbraw/zinc/62/22/52/545622252.db2.gz QYEVUHWZOVKINQ-UHFFFAOYSA-N 2 0 350.507 1.134 20 30 FDEDRP CC[NH+]1CCC(NC(=O)CN(C)CCOCc2ccc(C#N)cc2)CC1 ZINC000561794601 545954317 /nfs/dbraw/zinc/95/43/17/545954317.db2.gz SNJRBPHNNBAINA-UHFFFAOYSA-N 2 0 358.486 1.607 20 30 FDEDRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000577277741 550639787 /nfs/dbraw/zinc/63/97/87/550639787.db2.gz XXEFQKATJFOURA-IBGZPJMESA-N 2 0 357.502 1.461 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC[N@@H+](CC)CC1)C(C)C ZINC000577755450 550691808 /nfs/dbraw/zinc/69/18/08/550691808.db2.gz RNKCMIIGPJMVOT-SFHVURJKSA-N 2 0 364.534 1.355 20 30 FDEDRP N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000591359153 551866000 /nfs/dbraw/zinc/86/60/00/551866000.db2.gz QTDSBARWWUKFKH-LJQANCHMSA-N 2 0 355.486 1.775 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000592343573 551982638 /nfs/dbraw/zinc/98/26/38/551982638.db2.gz DZEBHDRLYNKGJX-UHFFFAOYSA-N 2 0 351.539 1.352 20 30 FDEDRP C[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593319637 552089217 /nfs/dbraw/zinc/08/92/17/552089217.db2.gz LWQBKELNORGXOA-LJQANCHMSA-N 2 0 355.486 1.916 20 30 FDEDRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593511959 552120135 /nfs/dbraw/zinc/12/01/35/552120135.db2.gz HVYZMXCQFMEENX-FQEVSTJZSA-N 2 0 373.501 1.134 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@]4(CC[NH2+]C4)C3)CC2)c1 ZINC000593719366 552182046 /nfs/dbraw/zinc/18/20/46/552182046.db2.gz CMHFJUGCSYAASA-NRFANRHFSA-N 2 0 367.497 1.918 20 30 FDEDRP N#CC1(C[C@H](O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CCOCC1 ZINC000599275740 553012456 /nfs/dbraw/zinc/01/24/56/553012456.db2.gz VNGMSCZCCIWBRS-IBGZPJMESA-N 2 0 365.518 1.492 20 30 FDEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599306748 553021631 /nfs/dbraw/zinc/02/16/31/553021631.db2.gz CZXDWEBVNQETEW-QZTJIDSGSA-N 2 0 353.507 1.490 20 30 FDEDRP N#CC1(C[C@@H](O)C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CCOCC1 ZINC000600732835 553308906 /nfs/dbraw/zinc/30/89/06/553308906.db2.gz VNASRHFOFBLEPJ-LJQANCHMSA-N 2 0 358.486 1.959 20 30 FDEDRP COc1ccc(NC(=[NH2+])NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000277198787 674882146 /nfs/dbraw/zinc/88/21/46/674882146.db2.gz DOGMWIDCTLJDPU-AWEZNQCLSA-N 2 0 350.463 1.931 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1cc(OC)cc(OC)c1 ZINC000123578711 671727909 /nfs/dbraw/zinc/72/79/09/671727909.db2.gz MZRQLUYLLGFIPJ-AWEZNQCLSA-N 2 0 350.463 1.471 20 30 FDEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](CC)C1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261658768 672644932 /nfs/dbraw/zinc/64/49/32/672644932.db2.gz BLRHFLLTGQOERM-INIZCTEOSA-N 2 0 351.539 1.625 20 30 FDEDRP C[NH+]=C(NCc1cc(F)ccc1SC)NC[C@H]1C[NH+]2CCN1CC2 ZINC000261785987 672671858 /nfs/dbraw/zinc/67/18/58/672671858.db2.gz KMQHNPBONQFVHF-HNNXBMFYSA-N 2 0 351.495 1.212 20 30 FDEDRP C[NH+]=C(NC[C@@H]1CCC[N@H+](CC(C)C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261943290 672698666 /nfs/dbraw/zinc/69/86/66/672698666.db2.gz FCKJGWNZGVATJD-INIZCTEOSA-N 2 0 372.579 1.439 20 30 FDEDRP CC[NH+]=C(NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)NC1CCN(C(C)=O)CC1 ZINC000262176883 672741048 /nfs/dbraw/zinc/74/10/48/672741048.db2.gz DDDCLERBHGGHMW-HOTGVXAUSA-N 2 0 351.539 1.673 20 30 FDEDRP CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262439894 672789714 /nfs/dbraw/zinc/78/97/14/672789714.db2.gz UKKXABXDRDBBII-XYTVBORESA-N 2 0 370.563 1.380 20 30 FDEDRP C=CCNC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262442584 672790349 /nfs/dbraw/zinc/79/03/49/672790349.db2.gz UTUUOUFYBIPFBS-XYTVBORESA-N 2 0 368.547 1.158 20 30 FDEDRP C[NH+]=C(NCC1(O)CCCCC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000262777309 672847524 /nfs/dbraw/zinc/84/75/24/672847524.db2.gz JUMATGYOJDONFI-MRXNPFEDSA-N 2 0 352.523 1.348 20 30 FDEDRP CC[NH+]=C(NCCN1CCSCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262784781 672849461 /nfs/dbraw/zinc/84/94/61/672849461.db2.gz MBJWSRYKJPWDPJ-QGZVFWFLSA-N 2 0 353.580 1.561 20 30 FDEDRP C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000262825371 672851537 /nfs/dbraw/zinc/85/15/37/672851537.db2.gz XZCIQHSHWAENJO-PKOBYXMFSA-N 2 0 367.607 1.807 20 30 FDEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000267873604 673341360 /nfs/dbraw/zinc/34/13/60/673341360.db2.gz RBPOVDZYVQFCMI-OAHLLOKOSA-N 2 0 352.479 1.465 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000303787783 676543140 /nfs/dbraw/zinc/54/31/40/676543140.db2.gz SUIWMMFDUAJINJ-INIZCTEOSA-N 2 0 353.511 1.632 20 30 FDEDRP C[C@@H]1CCCN(C(=[NH2+])NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000304777543 676544575 /nfs/dbraw/zinc/54/45/75/676544575.db2.gz ISUDZMQVIOBQBY-OAHLLOKOSA-N 2 0 351.539 1.660 20 30 FDEDRP CC[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000328728993 676604549 /nfs/dbraw/zinc/60/45/49/676604549.db2.gz VVBLVRGYLLSVCT-IAGOWNOFSA-N 2 0 352.523 1.723 20 30 FDEDRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000329399129 676637097 /nfs/dbraw/zinc/63/70/97/676637097.db2.gz YHLUYLUHGSGGJW-MRXNPFEDSA-N 2 0 369.579 1.097 20 30 FDEDRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)C[C@@H]1C ZINC000329806068 676657901 /nfs/dbraw/zinc/65/79/01/676657901.db2.gz AWMNZIZNJAYRBF-IRXDYDNUSA-N 2 0 354.539 1.942 20 30 FDEDRP C[C@H](C[NH+]1CCCCC1)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330176028 676676748 /nfs/dbraw/zinc/67/67/48/676676748.db2.gz JPMQCYVJINHXED-NXHRZFHOSA-N 2 0 352.523 1.742 20 30 FDEDRP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000469716919 684983727 /nfs/dbraw/zinc/98/37/27/684983727.db2.gz KHVHGJSLDXHIQR-INIZCTEOSA-N 2 0 350.507 1.760 20 30 FDEDRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC000970012971 771197938 /nfs/dbraw/zinc/19/79/38/771197938.db2.gz LAGPYMLSNYXQJB-BRWVUGGUSA-N 2 0 367.428 1.925 20 30 FDEDRP C=C(C)CN1C[C@H]2OCCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083194023 771234368 /nfs/dbraw/zinc/23/43/68/771234368.db2.gz RSSPGRDWECCYNC-FRQCXROJSA-N 2 0 353.482 1.687 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000891255292 774167864 /nfs/dbraw/zinc/16/78/64/774167864.db2.gz OMJMWFDBDGMLCV-FQEVSTJZSA-N 2 0 356.514 1.817 20 30 FDEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nccn2CC)C1 ZINC001104306033 774438789 /nfs/dbraw/zinc/43/87/89/774438789.db2.gz HEHVRNVWIXCVBD-QRVBRYPASA-N 2 0 371.529 1.575 20 30 FDEDRP COc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1C#N ZINC000971561116 777642979 /nfs/dbraw/zinc/64/29/79/777642979.db2.gz SFQSRTWGPOHAFV-AYOQOUSVSA-N 2 0 370.497 1.940 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CCC(C)(C)C)C[C@@H]32)CC1 ZINC001083283461 791200430 /nfs/dbraw/zinc/20/04/30/791200430.db2.gz CFFFXWLYCDFKOH-RBUKOAKNSA-N 2 0 361.530 1.679 20 30 FDEDRP C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@H]2C)C1=O ZINC001104810034 793793064 /nfs/dbraw/zinc/79/30/64/793793064.db2.gz XEEKBHIAPDOEDE-KURKYZTESA-N 2 0 364.534 1.189 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001105067229 795129553 /nfs/dbraw/zinc/12/95/53/795129553.db2.gz SIJZYDHBHSRCPN-IXDOHACOSA-N 2 0 352.523 1.092 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C(C)C)CCO2)C[C@H]1c1ccccc1 ZINC001211659577 800085237 /nfs/dbraw/zinc/08/52/37/800085237.db2.gz NOXSEPCPKOWXSB-HBMCJLEFSA-N 2 0 369.509 1.703 20 30 FDEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001112532045 807206193 /nfs/dbraw/zinc/20/61/93/807206193.db2.gz DYAUZSFFVJAPFP-DYXWJJEUSA-N 2 0 361.530 1.729 20 30 FDEDRP C[NH+]=C(NCCn1cncn1)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000261659136 809303380 /nfs/dbraw/zinc/30/33/80/809303380.db2.gz AVKIGVGGLZLNPW-UHFFFAOYSA-N 2 0 361.538 1.686 20 30 FDEDRP CNC(=O)CC1CCN(C(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)=[NH+]C)CC1 ZINC000261706745 810068593 /nfs/dbraw/zinc/06/85/93/810068593.db2.gz GSVGESPGXGUHIX-UZLBHIALSA-N 2 0 365.566 1.920 20 30 FDEDRP C[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000261935019 811348089 /nfs/dbraw/zinc/34/80/89/811348089.db2.gz CEYXMFCRXMDHTN-DOTOQJQBSA-N 2 0 367.501 1.552 20 30 FDEDRP C#Cc1cccc(NC(=O)CNC(N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)=[NH+]C)c1 ZINC000261962815 811354802 /nfs/dbraw/zinc/35/48/02/811354802.db2.gz KQIVEHFRWHBENU-KDOFPFPSSA-N 2 0 353.470 1.254 20 30 FDEDRP C=CCC[C@H]1NC(=O)N(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000419957065 812301798 /nfs/dbraw/zinc/30/17/98/812301798.db2.gz UVGBWKTXCNRKBS-QGZVFWFLSA-N 2 0 357.458 1.480 20 30 FDEDRP C[NH+](C)CCc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000520219483 819259560 /nfs/dbraw/zinc/25/95/60/819259560.db2.gz FWFHKNINMRVUDA-UHFFFAOYSA-N 2 0 372.494 1.621 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cccnc3)[C@@H]2CC)CC1 ZINC001087840279 822559248 /nfs/dbraw/zinc/55/92/48/822559248.db2.gz OZHFAVCLDKFQPW-VQTJNVASSA-N 2 0 354.498 1.896 20 30 FDEDRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000329765122 825436334 /nfs/dbraw/zinc/43/63/34/825436334.db2.gz WPFVIRCMLBZPLT-UXDRXVOSSA-N 2 0 366.550 1.940 20 30 FDEDRP N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)c1 ZINC001088171922 827241279 /nfs/dbraw/zinc/24/12/79/827241279.db2.gz NDTPBEHFIICNDR-UXHICEINSA-N 2 0 364.493 1.934 20 30 FDEDRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccccc4C#N)CC[C@@H]3C2)C1 ZINC001088200143 827434573 /nfs/dbraw/zinc/43/45/73/827434573.db2.gz QTBBFKLTCIIODJ-AQNXPRMDSA-N 2 0 352.482 1.790 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](C[C@@H](CC)OC)CC[C@@H]3C2)CC1 ZINC001088211800 827492928 /nfs/dbraw/zinc/49/29/28/827492928.db2.gz ARZKRTWMBDPURW-HSALFYBXSA-N 2 0 361.530 1.537 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H]4CCOC4)CC[C@@H]3C2)CC1 ZINC001088211889 827493077 /nfs/dbraw/zinc/49/30/77/827493077.db2.gz DYUMUMODEGPRQU-SXLOBPIMSA-N 2 0 359.514 1.148 20 30 FDEDRP C[N@@H+]1CCC[C@H]2CN(CC#CCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000528406544 829389500 /nfs/dbraw/zinc/38/95/00/829389500.db2.gz ONNAMEJBBWOKTC-QFBILLFUSA-N 2 0 351.450 1.702 20 30 FDEDRP CC[NH+]=C(NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)N1CCN(C(C)=O)CC1 ZINC000263108236 832412968 /nfs/dbraw/zinc/41/29/68/832412968.db2.gz DCOWQEYVJLSZQT-IAGOWNOFSA-N 2 0 365.566 1.873 20 30 FDEDRP C=CCCn1cc(CN2CCC(CC(=O)N3CCN(CC)CC3)CC2)nn1 ZINC000653554545 832649634 /nfs/dbraw/zinc/64/96/34/832649634.db2.gz JHWWTUQBOBXGDV-UHFFFAOYSA-N 2 0 374.533 1.620 20 30 FDEDRP C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000897473829 834958332 /nfs/dbraw/zinc/95/83/32/834958332.db2.gz GHEDVFCUTCXIMZ-QGZVFWFLSA-N 2 0 355.486 1.870 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@@H+](C)CCC)[C@H]2C(C)C)C[C@H]1O ZINC001105670135 844353461 /nfs/dbraw/zinc/35/34/61/844353461.db2.gz YAZGDFNWOVEQSN-IZBJGVDFSA-N 2 0 351.535 1.870 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3([NH+](C)C)CCC3)[C@H]2C(C)C)C[C@H]1O ZINC001105637062 842270110 /nfs/dbraw/zinc/27/01/10/842270110.db2.gz IXXKPGUDPUMATN-FTEYMNFISA-N 2 0 361.530 1.460 20 30 FDEDRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001076242734 847667876 /nfs/dbraw/zinc/66/78/76/847667876.db2.gz PTDWGZFEHFLKKO-FFZOFVMBSA-N 2 0 352.482 1.933 20 30 FDEDRP N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)cc1 ZINC001076467785 848194812 /nfs/dbraw/zinc/19/48/12/848194812.db2.gz SHBRBCIUIWBSFQ-RBUKOAKNSA-N 2 0 350.466 1.687 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4ccccn4)C[C@H]32)CC1 ZINC001076604516 848553273 /nfs/dbraw/zinc/55/32/73/848553273.db2.gz JYPJUDSYWBRTEB-AZUAARDMSA-N 2 0 352.482 1.460 20 30 FDEDRP C=C(C[NH+](C)C)C(=O)N[C@@]1(C(=O)OC)CCC[N@H+](Cc2ccccc2)C1 ZINC000912037199 859251517 /nfs/dbraw/zinc/25/15/17/859251517.db2.gz KTWMDXMFSDKPNC-FQEVSTJZSA-N 2 0 359.470 1.428 20 30 FDEDRP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000669033975 860847110 /nfs/dbraw/zinc/84/71/10/860847110.db2.gz FAOYQXNBSCSCRA-BBWFWOEESA-N 2 0 360.506 1.530 20 30 FDEDRP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]2C)C1=O ZINC001106340348 874838915 /nfs/dbraw/zinc/83/89/15/874838915.db2.gz TWFJKIAQXORROK-BRWVUGGUSA-N 2 0 364.534 1.188 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106622858 876250230 /nfs/dbraw/zinc/25/02/30/876250230.db2.gz UKDBGYFORBCRJL-CRAIPNDOSA-N 2 0 358.486 1.703 20 30 FDEDRP C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001112413516 884307136 /nfs/dbraw/zinc/30/71/36/884307136.db2.gz RPTQUPMAAIOQKC-QRFRQXIXSA-N 2 0 364.534 1.093 20 30 FDEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129276326 887292853 /nfs/dbraw/zinc/29/28/53/887292853.db2.gz FUKZTGZVWZBFCR-SQNIBIBYSA-N 2 0 364.538 1.930 20 30 FDEDRP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000923384448 889068005 /nfs/dbraw/zinc/06/80/05/889068005.db2.gz XSYYUHLWDKZODY-SFHVURJKSA-N 2 0 367.453 1.435 20 30 FDEDRP C=C(C)CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC000999986962 896519057 /nfs/dbraw/zinc/51/90/57/896519057.db2.gz LJIYVUHIACELRH-BPQIPLTHSA-N 2 0 360.506 1.448 20 30 FDEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079243084 902340843 /nfs/dbraw/zinc/34/08/43/902340843.db2.gz KBFGNKKLOWSQNP-AKHDSKFASA-N 2 0 359.514 1.289 20 30 FDEDRP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001107518447 905328286 /nfs/dbraw/zinc/32/82/86/905328286.db2.gz UHJQCQLMSZEIGW-CTAFRAEOSA-N 2 0 361.530 1.727 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787764 906316472 /nfs/dbraw/zinc/31/64/72/906316472.db2.gz QTXJBEZVFDGMHR-VQIMIIECSA-N 2 0 368.481 1.621 20 30 FDEDRP CC#CC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n2)C1 ZINC001127832855 906473166 /nfs/dbraw/zinc/47/31/66/906473166.db2.gz QUIQRFPMEMNEOJ-NZSAHSFTSA-N 2 0 369.513 1.230 20 30 FDEDRP C#CCN(C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CC[NH+](C)CC1 ZINC000921533881 907640101 /nfs/dbraw/zinc/64/01/01/907640101.db2.gz YMGKYJFLYFDFGW-RTBURBONSA-N 2 0 362.518 1.103 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082520778 908223361 /nfs/dbraw/zinc/22/33/61/908223361.db2.gz SCPXVMUEQDSGIQ-BCXHYRKLSA-N 2 0 358.461 1.974 20 30 FDEDRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082719397 909815355 /nfs/dbraw/zinc/81/53/55/909815355.db2.gz GGPUBYVZWZYXIG-AUUYWEPGSA-N 2 0 358.461 1.976 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ocnc4C)[C@H]3C2)CC1 ZINC001085100440 920914541 /nfs/dbraw/zinc/91/45/41/920914541.db2.gz BVGNCEHOIHIBOW-MJGOQNOKSA-N 2 0 370.497 1.751 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2cnn(C)c2)CC1 ZINC001085432534 924678819 /nfs/dbraw/zinc/67/88/19/924678819.db2.gz CPQCOROJPLNBLX-WOJBJXKFSA-N 2 0 371.529 1.325 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccnc2)CC1 ZINC001085432721 924680269 /nfs/dbraw/zinc/68/02/69/924680269.db2.gz MVSKZMYONDMMGI-WOJBJXKFSA-N 2 0 354.498 1.944 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1n1ccnn1 ZINC001129925242 938570808 /nfs/dbraw/zinc/57/08/08/938570808.db2.gz VLUJRQTZOPNVJW-SJORKVTESA-N 2 0 351.414 1.157 20 30 FDEDRP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130107190 938687298 /nfs/dbraw/zinc/68/72/98/938687298.db2.gz ILLBZCRFGSZGSH-MSOLQXFVSA-N 2 0 362.522 1.708 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1n1ccnn1 ZINC001130137046 938710033 /nfs/dbraw/zinc/71/00/33/938710033.db2.gz GNZLMEKJLPMZSC-MSOLQXFVSA-N 2 0 360.506 1.462 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130590197 939896318 /nfs/dbraw/zinc/89/63/18/939896318.db2.gz DKZNKFBQYMWGCR-QXAKKESOSA-N 2 0 357.502 1.200 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130634928 939937197 /nfs/dbraw/zinc/93/71/97/939937197.db2.gz ADXHMJGOHNZXOT-DFQSSKMNSA-N 2 0 369.513 1.202 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1c1cn(C)cn1 ZINC001130671965 939970571 /nfs/dbraw/zinc/97/05/71/939970571.db2.gz DVPABRSSKIVXFL-FUHWJXTLSA-N 2 0 359.518 1.305 20 30 FDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cn(C)cn1 ZINC001130712706 939999456 /nfs/dbraw/zinc/99/94/56/939999456.db2.gz IBSMOXVDHXGMMB-ZIFCJYIRSA-N 2 0 371.529 1.755 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1c1cncn1C ZINC001131007664 940433800 /nfs/dbraw/zinc/43/38/00/940433800.db2.gz FFFAVZBAAZRFGD-ZHALLVOQSA-N 2 0 359.518 1.611 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1c1cncn1C ZINC001131126345 940508149 /nfs/dbraw/zinc/50/81/49/940508149.db2.gz YCRRTFASAXJAKU-QZTJIDSGSA-N 2 0 357.502 1.203 20 30 FDEDRP C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001131316497 940551121 /nfs/dbraw/zinc/55/11/21/940551121.db2.gz LFUFWWQMAXOLDZ-ZACQAIPSSA-N 2 0 364.490 1.010 20 30 FDEDRP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001131528230 940697905 /nfs/dbraw/zinc/69/79/05/940697905.db2.gz MHTWEAJXWQWEQM-UXHICEINSA-N 2 0 366.465 1.957 20 30 FDEDRP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001131580566 940766748 /nfs/dbraw/zinc/76/67/48/940766748.db2.gz XUJBBLCDKYVMTI-AABGKKOBSA-N 2 0 363.546 1.972 20 30 FDEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001086762845 942406871 /nfs/dbraw/zinc/40/68/71/942406871.db2.gz CVMBALBMHNNEDP-CLEAANHHSA-N 2 0 353.894 1.477 20 30 FDEDRP C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(CC[NH+](C)C)cc2)c1C#N ZINC000856825751 971420305 /nfs/dbraw/zinc/42/03/05/971420305.db2.gz MMUQJVAYKYWWCM-UHFFFAOYSA-N 2 0 354.458 1.790 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001086985312 953002465 /nfs/dbraw/zinc/00/24/65/953002465.db2.gz CUZSRXAENBNZGQ-RBUKOAKNSA-N 2 0 371.529 1.590 20 30 FDEDRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001087034445 953171776 /nfs/dbraw/zinc/17/17/76/953171776.db2.gz GATRWIKVLMHHBA-HSALFYBXSA-N 2 0 370.497 1.606 20 30 FDEDRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001087100727 953270977 /nfs/dbraw/zinc/27/09/77/953270977.db2.gz BBTKTHLXPHPXQX-WOJBJXKFSA-N 2 0 370.497 1.607 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](C[C@H](CC)OC)C[C@@]3(C)C2)CC1 ZINC001092299774 954746940 /nfs/dbraw/zinc/74/69/40/954746940.db2.gz HUIARXWOTJWYHD-DYXWJJEUSA-N 2 0 361.530 1.537 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093132854 957616791 /nfs/dbraw/zinc/61/67/91/957616791.db2.gz CLXORRWOBIVXKQ-VQIMIIECSA-N 2 0 352.482 1.838 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3ccn(CC)n3)C[C@H]2C)CC1 ZINC001093224115 957854541 /nfs/dbraw/zinc/85/45/41/957854541.db2.gz LESZFKQBNZWGOQ-IEBWSBKVSA-N 2 0 371.529 1.432 20 30 FDEDRP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C(C)C)C[C@H]1O ZINC001093468354 958218338 /nfs/dbraw/zinc/21/83/38/958218338.db2.gz ZGSUXCLREAZCHX-VGUOSERISA-N 2 0 363.546 1.870 20 30 FDEDRP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C34CCC[NH+]3CCC4)[C@H]2C(C)C)C[C@H]1O ZINC001093453029 958262248 /nfs/dbraw/zinc/26/22/48/958262248.db2.gz SEMSEUHPAAWBLB-XSYGEPLQSA-N 2 0 361.530 1.767 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[NH+]3CCCCC3)[C@H]2C(C)C)C[C@H]1O ZINC001093480551 958303640 /nfs/dbraw/zinc/30/36/40/958303640.db2.gz LRACQRZUIBKYHS-QCFAMHMHSA-N 2 0 361.530 1.462 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001093673262 958515709 /nfs/dbraw/zinc/51/57/09/958515709.db2.gz NTJVQLMMCIAXRP-BJZITVGISA-N 2 0 358.461 1.976 20 30 FDEDRP C#C[C@H]([NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000775792965 972521398 /nfs/dbraw/zinc/52/13/98/972521398.db2.gz BKLZWYXJVCGCRQ-JRGCBEDISA-N 2 0 369.509 1.926 20 30 FDEDRP C[NH+](C)CCNC(=O)c1noc2c1C[N@@H+](C1CCC(CC#N)CC1)CC2 ZINC001173333641 962007078 /nfs/dbraw/zinc/00/70/78/962007078.db2.gz QTFYEGVGAWKOPH-UHFFFAOYSA-N 2 0 359.474 1.797 20 30 FDEDRP C=CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001188456894 966331125 /nfs/dbraw/zinc/33/11/25/966331125.db2.gz YHGTXKRXFFRZJA-UWWQBHOKSA-N 2 0 367.453 1.171 20 30 FDEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001189898025 967412891 /nfs/dbraw/zinc/41/28/91/967412891.db2.gz AZOUGSJPEYNSCC-AZUAARDMSA-N 2 0 370.497 1.963 20 30 FDEDRP O=C(C#CC1CC[NH2+]CC1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000852863990 967669563 /nfs/dbraw/zinc/66/95/63/967669563.db2.gz MEBMQVDBEIARDD-UHFFFAOYSA-N 2 0 355.482 1.832 20 30 FDEDRP C[N@@H+]1CCN(CCCNC(=O)C#CC2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000852872052 967678961 /nfs/dbraw/zinc/67/89/61/967678961.db2.gz AIJOJQSHOUMECL-NRFANRHFSA-N 2 0 368.525 1.484 20 30 FDEDRP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000848393363 976714412 /nfs/dbraw/zinc/71/44/12/976714412.db2.gz AIHULQAITUEZAR-QGZVFWFLSA-N 2 0 358.442 1.945 20 30 FDEDRP N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000848394094 976715669 /nfs/dbraw/zinc/71/56/69/976715669.db2.gz MWYMFJMZZQHNHG-QGZVFWFLSA-N 2 0 358.442 1.945 20 30 FDEDRP C[C@H](CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)[NH+]1CCCCC1 ZINC000849087186 977308237 /nfs/dbraw/zinc/30/82/37/977308237.db2.gz GSCSDHMCFIREIJ-CVEARBPZSA-N 2 0 365.522 1.741 20 30 FDEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883586674 982286731 /nfs/dbraw/zinc/28/67/31/982286731.db2.gz QDNFTGKIBVEKCE-OLMNPRSZSA-N 2 0 354.458 1.204 20 30 FDEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883586672 982287005 /nfs/dbraw/zinc/28/70/05/982287005.db2.gz QDNFTGKIBVEKCE-FHLIZLRMSA-N 2 0 354.458 1.204 20 30 FDEDRP C#CCN1CCC[C@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000884063712 982798025 /nfs/dbraw/zinc/79/80/25/982798025.db2.gz JHAADWNMSJSZFJ-IBGZPJMESA-N 2 0 355.486 1.443 20 30 FDEDRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884233762 983008884 /nfs/dbraw/zinc/00/88/84/983008884.db2.gz YHIVFQXQAOPJER-BATSVXPKSA-N 2 0 367.497 1.825 20 30 FDEDRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884287599 983059061 /nfs/dbraw/zinc/05/90/61/983059061.db2.gz GOMJPRSSIDLZJL-OHTSDLOESA-N 2 0 358.461 1.855 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)CC1 ZINC000361017130 988249206 /nfs/dbraw/zinc/24/92/06/988249206.db2.gz DQMGOKBEABEFQO-GOSISDBHSA-N 2 0 363.550 1.306 20 30 FDEDRP C#Cc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000124655610 989158978 /nfs/dbraw/zinc/15/89/78/989158978.db2.gz MKWDSJASYLIEPT-LJQANCHMSA-N 2 0 370.497 1.481 20 30 FDEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C2 ZINC001095430171 990268891 /nfs/dbraw/zinc/26/88/91/990268891.db2.gz JCBPNUIJHHVHQY-SLHNCBLASA-N 2 0 359.514 1.478 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)CC1 ZINC000875182105 991022033 /nfs/dbraw/zinc/02/20/33/991022033.db2.gz DQCPBDHWSQHXKJ-UHFFFAOYSA-N 2 0 350.507 1.132 20 30 FDEDRP C=CCN1CC[C@@H]([NH+]2CCC(C(=O)NCCC[NH+](CC)CC)CC2)C1=O ZINC000410322371 991215509 /nfs/dbraw/zinc/21/55/09/991215509.db2.gz VJFUKQPILDFREG-GOSISDBHSA-N 2 0 364.534 1.333 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000876719308 992829567 /nfs/dbraw/zinc/82/95/67/992829567.db2.gz IAXPINJADBJQTM-ICSRJNTNSA-N 2 0 368.481 1.505 20 30 FDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000876780359 992905808 /nfs/dbraw/zinc/90/58/08/992905808.db2.gz FRGXDVBDNZPSEC-GOSISDBHSA-N 2 0 364.921 1.780 20 30 FDEDRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CCO1 ZINC000876982331 992995752 /nfs/dbraw/zinc/99/57/52/992995752.db2.gz YJIHZAYMKBDJNS-MJGOQNOKSA-N 2 0 356.470 1.314 20 30 FDEDRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000877034033 993022538 /nfs/dbraw/zinc/02/25/38/993022538.db2.gz WFNOAUILZWURHM-IBGZPJMESA-N 2 0 368.481 1.458 20 30 FDEDRP C[C@@H]1C[NH+](Cc2cc(C#N)cc(C[N@@H+]3CC[C@H](O)[C@@H](C)C3)c2)CC[C@H]1O ZINC000878464229 993971795 /nfs/dbraw/zinc/97/17/95/993971795.db2.gz SABCKDBFRYJWQL-LPTDTENNSA-N 2 0 357.498 1.964 20 30 FDEDRP C=CCCC[C@H]1NC(=O)N(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000924567303 994835131 /nfs/dbraw/zinc/83/51/31/994835131.db2.gz LPKMWONXJPCBII-GOSISDBHSA-N 2 0 371.485 1.870 20 30 FDEDRP [NH2+]=C(NCCCN1CCOCC1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000264119776 997405661 /nfs/dbraw/zinc/40/56/61/997405661.db2.gz QQHYOYCPUXJKPR-IBGZPJMESA-N 2 0 359.518 1.450 20 30 FDEDRP N#Cc1ccc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000889223471 998229842 /nfs/dbraw/zinc/22/98/42/998229842.db2.gz AZHVEGOPHKTXAA-UHFFFAOYSA-N 2 0 365.441 1.682 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)C(C)C ZINC000285043594 999897318 /nfs/dbraw/zinc/89/73/18/999897318.db2.gz WGTVMWQRRSDNKE-SFHVURJKSA-N 2 0 359.518 1.777 20 30 FDEDRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000092615649 1007258068 /nfs/dbraw/zinc/25/80/68/1007258068.db2.gz IGYYLFNADIXJDH-UHFFFAOYSA-N 2 0 354.458 1.096 20 30 FDEDRP C[C@@H]1CCCN(C(=[NH2+])NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000304765847 1010489854 /nfs/dbraw/zinc/48/98/54/1010489854.db2.gz ZVRXSMPAECHQFX-APWZRJJASA-N 2 0 371.529 1.931 20 30 FDEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000963338150 1012165900 /nfs/dbraw/zinc/16/59/00/1012165900.db2.gz QYFXCDXGFNGVGE-TUNPWDSISA-N 2 0 361.530 1.726 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000267184497 179783910 /nfs/dbraw/zinc/78/39/10/179783910.db2.gz OCLSEYOXGUCICD-UHFFFAOYSA-N 2 0 373.501 1.020 20 30 FDEDRP CC1(C[NH+]2CCOCC2)CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000378422751 262022283 /nfs/dbraw/zinc/02/22/83/262022283.db2.gz AKUHJKWSBPHMAP-LJQANCHMSA-N 2 0 373.497 1.732 20 30 FDEDRP Cn1cc(C#N)c(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000610561765 492251690 /nfs/dbraw/zinc/25/16/90/492251690.db2.gz PPGACBWKWYCFFM-UHFFFAOYSA-N 2 0 368.445 1.021 20 30 FDEDRP C[NH+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000073167824 522483025 /nfs/dbraw/zinc/48/30/25/522483025.db2.gz ZSMLMNLITAYHKY-OAHLLOKOSA-N 2 0 359.474 1.097 20 30 FDEDRP [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000083034776 524233762 /nfs/dbraw/zinc/23/37/62/524233762.db2.gz LHHUESMWAQPFAK-HIFRSBDPSA-N 2 0 372.391 1.853 20 30 FDEDRP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CC1 ZINC000083032510 524235072 /nfs/dbraw/zinc/23/50/72/524235072.db2.gz OWWJHZHKFKCFTP-FUHWJXTLSA-N 2 0 359.518 1.688 20 30 FDEDRP CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000123171353 524695960 /nfs/dbraw/zinc/69/59/60/524695960.db2.gz ARFCKCROCUXVME-HOTGVXAUSA-N 2 0 366.531 1.546 20 30 FDEDRP C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)N1CC[NH+](C)CC1 ZINC000160702830 524951251 /nfs/dbraw/zinc/95/12/51/524951251.db2.gz UYSRRIALWLQOJO-LBPRGKRZSA-N 2 0 359.396 1.948 20 30 FDEDRP [NH2+]=C(NCCCN1CCOCC1)NCc1ccccc1C[NH+]1CCCC1 ZINC000170908926 525765820 /nfs/dbraw/zinc/76/58/20/525765820.db2.gz XBGBULMKDHNAPS-UHFFFAOYSA-N 2 0 359.518 1.409 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130647465 525782227 /nfs/dbraw/zinc/78/22/27/525782227.db2.gz JKNASHDJZKZURG-HNNXBMFYSA-N 2 0 352.523 1.093 20 30 FDEDRP C[C@@H]1C[NH+](CC2CC[NH+](CCC(=O)N(C)CCC#N)CC2)C[C@@H](C)O1 ZINC000131425819 525858162 /nfs/dbraw/zinc/85/81/62/525858162.db2.gz QJVPSPJNEXIVPG-IAGOWNOFSA-N 2 0 350.507 1.570 20 30 FDEDRP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000171656936 526061812 /nfs/dbraw/zinc/06/18/12/526061812.db2.gz JRHKXMPZNRCZRY-MRXNPFEDSA-N 2 0 352.523 1.189 20 30 FDEDRP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182989435 535899993 /nfs/dbraw/zinc/89/99/93/535899993.db2.gz BALADRRHXWISJH-FQEVSTJZSA-N 2 0 364.534 1.865 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH+]([C@@H](C)C(=O)NCC=C)CC2 ZINC000364080265 537388682 /nfs/dbraw/zinc/38/86/82/537388682.db2.gz FKLRZAFQHGBFKS-DLBZAZTESA-N 2 0 362.518 1.156 20 30 FDEDRP CN(C)C(=O)CCN1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000329922898 537646705 /nfs/dbraw/zinc/64/67/05/537646705.db2.gz IEKHVZDXHGFVKS-ALOPSCKCSA-N 2 0 365.522 1.012 20 30 FDEDRP OCC[NH+](CC#CC[N@@H+](CCO)[C@H]1CCCSC1)[C@@H]1CCCSC1 ZINC000433188825 538208252 /nfs/dbraw/zinc/20/82/52/538208252.db2.gz DEXHMLWIIYZKRI-HDICACEKSA-N 2 0 372.600 1.370 20 30 FDEDRP Cc1cc(C#N)cc(NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000453579901 538415423 /nfs/dbraw/zinc/41/54/23/538415423.db2.gz FCZWYHSLNJFKLA-UHFFFAOYSA-N 2 0 373.501 1.537 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000561450428 545856034 /nfs/dbraw/zinc/85/60/34/545856034.db2.gz JXWYNKKLXKWXAF-GOSISDBHSA-N 2 0 364.534 1.476 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000563725971 546662287 /nfs/dbraw/zinc/66/22/87/546662287.db2.gz UYICUBASWFSLFT-GOSISDBHSA-N 2 0 362.518 1.230 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000574065359 550254578 /nfs/dbraw/zinc/25/45/78/550254578.db2.gz NQYCFPAXWPOKKA-GOSISDBHSA-N 2 0 362.518 1.230 20 30 FDEDRP C=CCOc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000577267924 550638411 /nfs/dbraw/zinc/63/84/11/550638411.db2.gz SPJZRCGHHXSMBP-RBUKOAKNSA-N 2 0 370.497 1.972 20 30 FDEDRP C[NH+]1CCC(N2CCC([NH2+]C[C@@H](O)COc3ccc(C#N)cc3)CC2)CC1 ZINC000582236192 551194400 /nfs/dbraw/zinc/19/44/00/551194400.db2.gz GAXFCRAOEQPQGL-HXUWFJFHSA-N 2 0 372.513 1.446 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000582433559 551223748 /nfs/dbraw/zinc/22/37/48/551223748.db2.gz GPHNEHPHNUUNHW-UHFFFAOYSA-N 2 0 364.534 1.569 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000583770487 551399890 /nfs/dbraw/zinc/39/98/90/551399890.db2.gz FWEQEFHOXYMABC-HOTGVXAUSA-N 2 0 350.507 1.132 20 30 FDEDRP C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593320698 552089382 /nfs/dbraw/zinc/08/93/82/552089382.db2.gz DIOWSORPVLTPDS-LJQANCHMSA-N 2 0 355.486 1.916 20 30 FDEDRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)C[C@@H]21 ZINC000593515488 552120757 /nfs/dbraw/zinc/12/07/57/552120757.db2.gz JXGCXCVKCIGBRK-QUCCMNQESA-N 2 0 367.497 1.868 20 30 FDEDRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593719850 552182122 /nfs/dbraw/zinc/18/21/22/552182122.db2.gz IODRGQCFDXWCJL-YJBOKZPZSA-N 2 0 355.486 1.901 20 30 FDEDRP C[NH2+][C@@H]1CCCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593720973 552182372 /nfs/dbraw/zinc/18/23/72/552182372.db2.gz NTWLZZIYIZRJLH-LJQANCHMSA-N 2 0 355.486 1.916 20 30 FDEDRP C[C@@]1(C[NH3+])CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593722276 552182823 /nfs/dbraw/zinc/18/28/23/552182823.db2.gz WPLYBGANBAADLY-FQEVSTJZSA-N 2 0 355.486 1.903 20 30 FDEDRP CC(C)N1CC[NH+](C2CCN([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000611180983 554612974 /nfs/dbraw/zinc/61/29/74/554612974.db2.gz OKDZQQHJASPASI-HXUWFJFHSA-N 2 0 369.513 1.575 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCn1cc(Br)cn1 ZINC000286970757 675910741 /nfs/dbraw/zinc/91/07/41/675910741.db2.gz CBUNOHMOCZYFQP-ZDUSSCGKSA-N 2 0 357.300 1.424 20 30 FDEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCC(OC(C)(C)C)CC1 ZINC000261738140 672661945 /nfs/dbraw/zinc/66/19/45/672661945.db2.gz KINPXEDOQHYLBI-MRXNPFEDSA-N 2 0 351.539 1.231 20 30 FDEDRP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N1CCN(c2cccs2)CC1 ZINC000261975219 672705266 /nfs/dbraw/zinc/70/52/66/672705266.db2.gz NOHSDEFKLLLGGG-UHFFFAOYSA-N 2 0 365.547 1.556 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1([NH+]2CCSCC2)CCCC1 ZINC000303869827 676543335 /nfs/dbraw/zinc/54/33/35/676543335.db2.gz FDKALJUJWIQCRH-MRXNPFEDSA-N 3 0 353.580 1.737 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000303911466 676544010 /nfs/dbraw/zinc/54/40/10/676544010.db2.gz ZQDHJJMFRINSHQ-GOSISDBHSA-N 2 0 353.555 1.240 20 30 FDEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330188105 676677551 /nfs/dbraw/zinc/67/75/51/676677551.db2.gz UHPDZTBMKUVETH-BVPBIZIASA-N 2 0 350.507 1.351 20 30 FDEDRP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000330446540 676691028 /nfs/dbraw/zinc/69/10/28/676691028.db2.gz XUZYCBBKXVCALY-BRWVUGGUSA-N 2 0 350.507 1.568 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)CC1 ZINC000370295954 677562083 /nfs/dbraw/zinc/56/20/83/677562083.db2.gz AYFZZTHCBKQUSI-MSOLQXFVSA-N 2 0 350.507 1.268 20 30 FDEDRP N#Cc1cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])ccc1C(F)(F)F ZINC000420464780 680465876 /nfs/dbraw/zinc/46/58/76/680465876.db2.gz YCIORFHXJWMLKZ-UHFFFAOYSA-N 2 0 364.393 1.265 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C(C)(C)CC)CC2)CC1 ZINC000656312908 774913841 /nfs/dbraw/zinc/91/38/41/774913841.db2.gz YOTNVCYTHZKMCQ-UHFFFAOYSA-N 2 0 350.507 1.086 20 30 FDEDRP COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001112506930 778740083 /nfs/dbraw/zinc/74/00/83/778740083.db2.gz MLBLEWMWLTYLNJ-RXVVDRJESA-N 2 0 361.530 1.729 20 30 FDEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001104379093 779104479 /nfs/dbraw/zinc/10/44/79/779104479.db2.gz XTLODHQTDXSWAL-VAMGGRTRSA-N 2 0 363.546 1.831 20 30 FDEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001104752308 793036652 /nfs/dbraw/zinc/03/66/52/793036652.db2.gz BXGIAZBRUGASHH-VAMGGRTRSA-N 2 0 363.546 1.975 20 30 FDEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001104754985 793420657 /nfs/dbraw/zinc/42/06/57/793420657.db2.gz NKVYQWNNJWCPKG-SJLPKXTDSA-N 2 0 364.534 1.095 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOC(C)C)C2)CC1 ZINC001105062121 795106252 /nfs/dbraw/zinc/10/62/52/795106252.db2.gz AIXHVBYQLFNYAM-UYAOXDASSA-N 2 0 363.546 1.831 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000660707250 801184509 /nfs/dbraw/zinc/18/45/09/801184509.db2.gz NAEJZCDPWNLWAX-UHFFFAOYSA-N 2 0 364.534 1.827 20 30 FDEDRP C=CC[C@@]1(C(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662721541 802908173 /nfs/dbraw/zinc/90/81/73/802908173.db2.gz YIHWFBDTMCALBG-QFIPXVFZSA-N 2 0 370.541 1.961 20 30 FDEDRP C=CC[C@]1(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CCC[NH2+]1 ZINC000662750775 803034197 /nfs/dbraw/zinc/03/41/97/803034197.db2.gz GIDSRTQRCLBSHV-HXUWFJFHSA-N 2 0 364.534 1.428 20 30 FDEDRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)O1 ZINC000978349162 805364227 /nfs/dbraw/zinc/36/42/27/805364227.db2.gz FMBRITXGMARJCL-MRBRGOBGSA-N 2 0 368.481 1.071 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000664020348 810174500 /nfs/dbraw/zinc/17/45/00/810174500.db2.gz QWYJFAVYUOTFPF-HXUWFJFHSA-N 2 0 372.513 1.703 20 30 FDEDRP N#CCCn1cc(C[NH2+]CCCN2CCC(O)CC2)c(-c2ccncc2)n1 ZINC000433315738 810413659 /nfs/dbraw/zinc/41/36/59/810413659.db2.gz FOORGHQOGYNBPA-UHFFFAOYSA-N 2 0 368.485 1.795 20 30 FDEDRP C[NH+]=C(NCc1cccc(-n2cncn2)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000262759082 811547321 /nfs/dbraw/zinc/54/73/21/811547321.db2.gz FMGMBRBQGLPWCT-GOSISDBHSA-N 2 0 367.501 1.760 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000419564753 812020375 /nfs/dbraw/zinc/02/03/75/812020375.db2.gz CYGKDHHBISCUDM-FGTMMUONSA-N 2 0 364.534 1.387 20 30 FDEDRP CC[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CC[C@@]2(CCOC2)C1 ZINC000261994321 817981999 /nfs/dbraw/zinc/98/19/99/817981999.db2.gz SAQWNGLJUWAWBP-LJQANCHMSA-N 2 0 364.534 1.709 20 30 FDEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992166 824952963 /nfs/dbraw/zinc/95/29/63/824952963.db2.gz GYMYLTANIFZSGL-WSTZPKSXSA-N 2 0 361.530 1.986 20 30 FDEDRP C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000330177439 825707289 /nfs/dbraw/zinc/70/72/89/825707289.db2.gz KRLUZMZSQOHSRB-PSBWJHGTSA-N 2 0 366.550 1.988 20 30 FDEDRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000330195684 825724607 /nfs/dbraw/zinc/72/46/07/825724607.db2.gz PHXWNRJZPVITBF-TZIWHRDSSA-N 2 0 373.545 1.791 20 30 FDEDRP C[NH+]=C(NCC1(N(C)C)Cc2ccccc2C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262417043 826528855 /nfs/dbraw/zinc/52/88/55/826528855.db2.gz QIFLLPWAYCPQOB-HXUWFJFHSA-N 3 0 367.541 1.607 20 30 FDEDRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC#CCOC)C1 ZINC001112196395 829400974 /nfs/dbraw/zinc/40/09/74/829400974.db2.gz HQRLUOSXZNRZFH-HUUCEWRRSA-N 2 0 363.424 1.347 20 30 FDEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000451977922 830481598 /nfs/dbraw/zinc/48/15/98/830481598.db2.gz FDNNKJWSMYMBTK-UHFFFAOYSA-N 2 0 357.502 1.893 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@@H+](C)CCC)[C@@H]2C(C)C)C[C@H]1O ZINC001105670137 844360223 /nfs/dbraw/zinc/36/02/23/844360223.db2.gz YAZGDFNWOVEQSN-LFGUQSLTSA-N 2 0 351.535 1.870 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3CC[NH+](C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001105660697 842573445 /nfs/dbraw/zinc/57/34/45/842573445.db2.gz YJYOTQFWQJYLGG-BNDYYXHWSA-N 2 0 361.530 1.318 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000478017377 843509432 /nfs/dbraw/zinc/50/94/32/843509432.db2.gz SPTHQJCRACCUSD-JXFKEZNVSA-N 2 0 364.534 1.380 20 30 FDEDRP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900418935 847437629 /nfs/dbraw/zinc/43/76/29/847437629.db2.gz RHAJSKHVUYYSQT-FQEVSTJZSA-N 2 0 358.486 1.295 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4oc(C)nc4C)C[C@H]32)CC1 ZINC001076604504 848553595 /nfs/dbraw/zinc/55/35/95/848553595.db2.gz JKTRYNABJLXZEW-RBUKOAKNSA-N 2 0 370.497 1.669 20 30 FDEDRP CN(CC1CC[NH+](C)CC1)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000171604367 865258978 /nfs/dbraw/zinc/25/89/78/865258978.db2.gz FSBKHVRHBQLGQV-HXUWFJFHSA-N 2 0 369.469 1.556 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001106730586 877224296 /nfs/dbraw/zinc/22/42/96/877224296.db2.gz GSGNMKKPABOZCC-SOLBZPMBSA-N 2 0 364.534 1.093 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001106798491 878002928 /nfs/dbraw/zinc/00/29/28/878002928.db2.gz HPADVPWJZLKEOS-KZNAEPCWSA-N 2 0 364.534 1.093 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000923390881 889082665 /nfs/dbraw/zinc/08/26/65/889082665.db2.gz YWFBGJWSKFJUNP-GNBUJSLZSA-N 2 0 359.470 1.516 20 30 FDEDRP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000923408195 889172416 /nfs/dbraw/zinc/17/24/16/889172416.db2.gz AVTMMAFOEQTKIW-RBUKOAKNSA-N 2 0 359.470 1.388 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3c(C)cccc3C)C[C@@H]2O)CC1 ZINC001084089471 913369733 /nfs/dbraw/zinc/36/97/33/913369733.db2.gz LEUROFNXCMCYKL-RTWAWAEBSA-N 2 0 369.509 1.310 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCC(C)CC3)C[C@@H]2O)CC1 ZINC001084090365 913372087 /nfs/dbraw/zinc/37/20/87/913372087.db2.gz WWIJJGHXMJCRJT-TZJYRCSTSA-N 2 0 361.530 1.319 20 30 FDEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2ccnc2CC)[C@H](OC)C1 ZINC001212301555 889983532 /nfs/dbraw/zinc/98/35/32/889983532.db2.gz ZIYPPNSTODINAD-GVDBMIGSSA-N 2 0 364.490 1.415 20 30 FDEDRP N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)c1 ZINC001084349201 914133474 /nfs/dbraw/zinc/13/34/74/914133474.db2.gz BJNQTBHFETUAOP-NJDAHSKKSA-N 2 0 364.493 1.933 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCc3ccc(C)cc3)C[C@H]2O)CC1 ZINC001078227192 898429649 /nfs/dbraw/zinc/42/96/49/898429649.db2.gz NIQPERYYXMGSLM-NHCUHLMSSA-N 2 0 369.509 1.044 20 30 FDEDRP C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001079147244 901971570 /nfs/dbraw/zinc/97/15/70/901971570.db2.gz FEPKGINYPHCECB-NJDAHSKKSA-N 2 0 369.509 1.568 20 30 FDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259533 902295035 /nfs/dbraw/zinc/29/50/35/902295035.db2.gz DZFBUZLQDDVWFL-GBESFXJTSA-N 2 0 361.530 1.844 20 30 FDEDRP C=CCCN1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC000996775225 905313061 /nfs/dbraw/zinc/31/30/61/905313061.db2.gz FZZHJDBCZJLIIJ-YNIZLOQISA-N 2 0 362.562 1.948 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1c1ccccc1 ZINC001081132230 907233750 /nfs/dbraw/zinc/23/37/50/907233750.db2.gz OMUWVMCXRTXZEB-VQTJNVASSA-N 2 0 369.509 1.562 20 30 FDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C[C@H]1C ZINC001082518040 908200894 /nfs/dbraw/zinc/20/08/94/908200894.db2.gz WGWNNESNACDOSC-PILAGYSTSA-N 2 0 369.937 1.922 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001082559861 908613581 /nfs/dbraw/zinc/61/35/81/908613581.db2.gz RBQBBOQQPRWRBJ-ZNOIYHFQSA-N 2 0 358.461 1.974 20 30 FDEDRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C#N)c2)C1)[NH+](C)C ZINC001082589253 908839573 /nfs/dbraw/zinc/83/95/73/908839573.db2.gz RKTWDMBGALHPKI-ZTFGCOKTSA-N 2 0 358.486 1.844 20 30 FDEDRP C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C)C1=O ZINC001082681759 909599287 /nfs/dbraw/zinc/59/92/87/909599287.db2.gz QPLRLFXATGMMIB-IXDOHACOSA-N 2 0 362.518 1.084 20 30 FDEDRP CC[NH+]=C(NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)N1CCN(c2ncccn2)CC1 ZINC000073446184 909729108 /nfs/dbraw/zinc/72/91/08/909729108.db2.gz IZFNGMKGRFNWTI-ROUUACIJSA-N 2 0 373.549 1.827 20 30 FDEDRP C=CCOCCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001212406323 911385064 /nfs/dbraw/zinc/38/50/64/911385064.db2.gz OGIKRPXMPONPNI-GUDVDZBRSA-N 2 0 365.518 1.411 20 30 FDEDRP N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)cc1 ZINC001084777507 917051075 /nfs/dbraw/zinc/05/10/75/917051075.db2.gz AVZLSFIITLJYKN-RTBURBONSA-N 2 0 350.466 1.687 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCOC4CCC4)C[C@H]32)CC1 ZINC001084851098 917658673 /nfs/dbraw/zinc/65/86/73/917658673.db2.gz MQNLIBGHERXJIY-UYAOXDASSA-N 2 0 359.514 1.433 20 30 FDEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001109735724 930276795 /nfs/dbraw/zinc/27/67/95/930276795.db2.gz UKTYQMCDBKDLEN-YRXWBPOGSA-N 2 0 365.518 1.411 20 30 FDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001129992103 938613802 /nfs/dbraw/zinc/61/38/02/938613802.db2.gz LCASSUMXYKLBEW-NXHRZFHOSA-N 2 0 360.506 1.316 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1c1cn(C)cn1 ZINC001130590352 939897280 /nfs/dbraw/zinc/89/72/80/939897280.db2.gz MDSQXMUMBMPKIU-PKOBYXMFSA-N 2 0 371.529 1.592 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130592823 939899458 /nfs/dbraw/zinc/89/94/58/939899458.db2.gz GIUUGFIEFYPEKP-VXIBKDFQSA-N 2 0 359.518 1.611 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130607687 939919394 /nfs/dbraw/zinc/91/93/94/939919394.db2.gz JDLGCFRDLMKPIR-WSTZPKSXSA-N 2 0 371.529 1.590 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1c1cn(C)cn1 ZINC001130632500 939935682 /nfs/dbraw/zinc/93/56/82/939935682.db2.gz CENYHLZDZOLFQW-AZUAARDMSA-N 2 0 371.529 1.592 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1c1cn(C)cn1 ZINC001130671995 939971087 /nfs/dbraw/zinc/97/10/87/939971087.db2.gz FLQLQXHRINFSLU-FUHWJXTLSA-N 2 0 357.502 1.059 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130712689 939999604 /nfs/dbraw/zinc/99/96/04/939999604.db2.gz HNMBIDCUNYEDMG-JENIJYKNSA-N 2 0 359.518 1.612 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130736532 940037232 /nfs/dbraw/zinc/03/72/32/940037232.db2.gz GLMDGVMDATWFDT-PKOBYXMFSA-N 2 0 357.502 1.203 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001130988908 940410717 /nfs/dbraw/zinc/41/07/17/940410717.db2.gz PHGOXEPYLCSQBP-KZNAEPCWSA-N 2 0 357.502 1.200 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1c1cncn1C ZINC001131038614 940467167 /nfs/dbraw/zinc/46/71/67/940467167.db2.gz ZTNRDDNOKNDWOB-IAGOWNOFSA-N 2 0 357.502 1.202 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1c1cncn1C ZINC001131126004 940507984 /nfs/dbraw/zinc/50/79/84/940507984.db2.gz RIDQVGZKEVZFHX-QZTJIDSGSA-N 2 0 359.518 1.756 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCC)C2)CC1 ZINC001131128152 940509879 /nfs/dbraw/zinc/50/98/79/940509879.db2.gz SSOUIOCABHZHJD-RTBURBONSA-N 2 0 371.529 1.449 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1c1cncn1C ZINC001131132236 940512366 /nfs/dbraw/zinc/51/23/66/940512366.db2.gz FCPCLAISNLHSJJ-KURKYZTESA-N 2 0 357.502 1.202 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1c1cncn1C ZINC001131132237 940512457 /nfs/dbraw/zinc/51/24/57/940512457.db2.gz FCPCLAISNLHSJJ-KZNAEPCWSA-N 2 0 357.502 1.202 20 30 FDEDRP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)c1C#N ZINC000810023506 940936146 /nfs/dbraw/zinc/93/61/46/940936146.db2.gz UMIJPPKEDZQJDY-QGZVFWFLSA-N 2 0 350.442 1.584 20 30 FDEDRP C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001170879649 943015725 /nfs/dbraw/zinc/01/57/25/943015725.db2.gz YXJZHUJCZJYCFG-YESZJQIVSA-N 2 0 352.523 1.284 20 30 FDEDRP NC(=O)c1ccc(C(=[NH2+])Nc2cccc3nc([C@H]4C[NH2+]CCO4)cn32)cc1 ZINC001171258512 951725612 /nfs/dbraw/zinc/72/56/12/951725612.db2.gz BDWXSEGABJFSGJ-OAHLLOKOSA-N 2 0 364.409 1.131 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001086978050 952989619 /nfs/dbraw/zinc/98/96/19/952989619.db2.gz BASHEYBONILUFC-IPMKNSEASA-N 2 0 359.518 1.753 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001086982463 952995262 /nfs/dbraw/zinc/99/52/62/952995262.db2.gz LEJRWOQNEFFPHG-GBESFXJTSA-N 2 0 357.502 1.200 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001086989000 953013127 /nfs/dbraw/zinc/01/31/27/953013127.db2.gz BKOPPWOKLXINJC-IPMKNSEASA-N 2 0 357.502 1.365 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1c1cnn(C)c1 ZINC001087006130 953089471 /nfs/dbraw/zinc/08/94/71/953089471.db2.gz JOMDEQQAENKANH-DLBZAZTESA-N 2 0 354.458 1.265 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]C(C)C)C2)CC1 ZINC001087010492 953101709 /nfs/dbraw/zinc/10/17/09/953101709.db2.gz CUGQJJPFBKJDEE-RBUKOAKNSA-N 2 0 357.502 1.058 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001087011368 953103876 /nfs/dbraw/zinc/10/38/76/953103876.db2.gz STFVCILWEPXNRI-VQTJNVASSA-N 2 0 367.497 1.866 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4cncn4C)C[C@@]3(C)C2)CC1 ZINC001092299540 954746400 /nfs/dbraw/zinc/74/64/00/954746400.db2.gz APZFGUQBAHQKRB-NQIIRXRSSA-N 2 0 369.513 1.046 20 30 FDEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001093040795 957265028 /nfs/dbraw/zinc/26/50/28/957265028.db2.gz VEMKWXWGOCYCAN-UKRRQHHQSA-N 2 0 353.898 1.495 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001093461078 958192014 /nfs/dbraw/zinc/19/20/14/958192014.db2.gz CNYSPIDCNOJMON-ANTGDGSKSA-N 2 0 363.546 1.870 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[NH+]3CCCCC3)[C@H]2C(C)C)C[C@H]1O ZINC001093480552 958303361 /nfs/dbraw/zinc/30/33/61/958303361.db2.gz LRACQRZUIBKYHS-RMVXJAJNSA-N 2 0 361.530 1.462 20 30 FDEDRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F ZINC001094169490 959961291 /nfs/dbraw/zinc/96/12/91/959961291.db2.gz NFJXJKRAXIFCHX-CRAIPNDOSA-N 2 0 370.472 1.977 20 30 FDEDRP N#Cc1ccc(C(=O)N2CCC([NH2+]CC3CC[NH+](CCO)CC3)CC2)cc1 ZINC001173426116 962136170 /nfs/dbraw/zinc/13/61/70/962136170.db2.gz PDTFNZNULUXIAG-UHFFFAOYSA-N 2 0 370.497 1.457 20 30 FDEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173766129 962659291 /nfs/dbraw/zinc/65/92/91/962659291.db2.gz FUGLROIRRUXQMS-OALUTQOASA-N 2 0 359.522 1.448 20 30 FDEDRP COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)CCC[NH+](C)C)[C@@H]3C2)cc1C#N ZINC001188979034 966705868 /nfs/dbraw/zinc/70/58/68/966705868.db2.gz JRWQGNIFZNZQFV-PKOBYXMFSA-N 2 0 370.497 1.941 20 30 FDEDRP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001189732829 967236987 /nfs/dbraw/zinc/23/69/87/967236987.db2.gz PXKCUPFJIREJMD-VQTJNVASSA-N 2 0 359.514 1.291 20 30 FDEDRP C[N@H+](CCN1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000852866926 967672371 /nfs/dbraw/zinc/67/23/71/967672371.db2.gz NSYNUYYDXYUCEO-UHFFFAOYSA-N 2 0 368.525 1.266 20 30 FDEDRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C#CC3CC[NH2+]CC3)cc2)CC1 ZINC000852872660 967678682 /nfs/dbraw/zinc/67/86/82/967678682.db2.gz JREXJNYXZMOJPT-UHFFFAOYSA-N 2 0 368.525 1.443 20 30 FDEDRP N#Cc1cccc(CN2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)c1 ZINC001198729177 973426689 /nfs/dbraw/zinc/42/66/89/973426689.db2.gz FQADNRCYBBNOMK-WOJBJXKFSA-N 2 0 370.497 1.486 20 30 FDEDRP C=C(C)CN(CC)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200637069 974853172 /nfs/dbraw/zinc/85/31/72/974853172.db2.gz PYEKARLKLSAFOH-SJLPKXTDSA-N 2 0 364.534 1.332 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@H]1C[NH+](C)C ZINC000867589421 976445440 /nfs/dbraw/zinc/44/54/40/976445440.db2.gz GXUHNUGANSTUMQ-HUUCEWRRSA-N 2 0 368.478 1.057 20 30 FDEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110747670 982054478 /nfs/dbraw/zinc/05/44/78/982054478.db2.gz XMCYQTUYZZLBCX-QRVBRYPASA-N 2 0 358.486 1.832 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000883343632 982086470 /nfs/dbraw/zinc/08/64/70/982086470.db2.gz UEIRWZWJIDQJEZ-UHFFFAOYSA-N 2 0 371.529 1.888 20 30 FDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC1([NH+]3CCCCC3)CCOCC1)C2 ZINC000884220164 982994780 /nfs/dbraw/zinc/99/47/80/982994780.db2.gz IKKCPXOMZZFXMC-HFCFLWKCSA-N 2 0 360.502 1.277 20 30 FDEDRP C[NH+]1CCC[C@@H]2CN(CC#CCN3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000367461896 988952118 /nfs/dbraw/zinc/95/21/18/988952118.db2.gz BZTQTTLLQQQMNP-CIAFKFPVSA-N 2 0 358.574 1.822 20 30 FDEDRP COc1ccc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1C#N ZINC000875405134 991488236 /nfs/dbraw/zinc/48/82/36/991488236.db2.gz PUJDYKOCAASMFO-QZTJIDSGSA-N 2 0 373.501 1.448 20 30 FDEDRP COC(=O)[C@@]1(C)CCC[NH+](CC#CC[N@H+]2CCC[C@](C)(C(=O)OC)C2)C1 ZINC000412084930 992798185 /nfs/dbraw/zinc/79/81/85/992798185.db2.gz YZJZPZQNAFCFTA-PMACEKPBSA-N 2 0 364.486 1.540 20 30 FDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000876760815 992883288 /nfs/dbraw/zinc/88/32/88/992883288.db2.gz QXBMMACUTQZCPF-HNNXBMFYSA-N 2 0 352.866 1.064 20 30 FDEDRP COC[C@H](C)NC(=[NH2+])NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000264111679 997404118 /nfs/dbraw/zinc/40/41/18/997404118.db2.gz QYMNWSVKKREIEY-SFHVURJKSA-N 2 0 361.534 1.524 20 30 FDEDRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=[NH2+])NC3CCCC3)c2)C1 ZINC000267417845 999330295 /nfs/dbraw/zinc/33/02/95/999330295.db2.gz JQFZSGHKOFOMQY-KRWDZBQOSA-N 2 0 357.502 1.731 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)C2CC[NH+](C3CCN(CC)CC3)CC2)CC1 ZINC000928653731 1001610506 /nfs/dbraw/zinc/61/05/06/1001610506.db2.gz YJNUFOFVWXTZHT-UHFFFAOYSA-N 2 0 360.546 1.397 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)C(C)C ZINC000642769836 1007890612 /nfs/dbraw/zinc/89/06/12/1007890612.db2.gz DLBKYEABEYXGLM-MRXNPFEDSA-N 2 0 350.507 1.141 20 30 FDEDRP COc1ccc(C#N)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000959976691 1009242743 /nfs/dbraw/zinc/24/27/43/1009242743.db2.gz WJRGQWNYNPRPBH-REPJOTQGSA-N 2 0 368.481 1.453 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000303881738 1009670214 /nfs/dbraw/zinc/67/02/14/1009670214.db2.gz HUVPZOLRCXJARP-HOTGVXAUSA-N 2 0 367.538 1.880 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000961850517 1012942006 /nfs/dbraw/zinc/94/20/06/1012942006.db2.gz XEQUIXKFUQWROJ-WLHONDITSA-N 2 0 370.497 1.891 20 30 FDEDRP C[NH+](C)CCNC(=O)C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000171657104 258267529 /nfs/dbraw/zinc/26/75/29/258267529.db2.gz UBCQZFLEPMQHSM-UHFFFAOYSA-N 2 0 371.485 1.277 20 30 FDEDRP CC[NH+]1CCN([C@H]2CC[N@H+](CCOc3ccc(C#N)cc3OC)C2)CC1 ZINC000132983894 173249783 /nfs/dbraw/zinc/24/97/83/173249783.db2.gz TZXWOUXBCLBXDY-SFHVURJKSA-N 2 0 358.486 1.657 20 30 FDEDRP C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)CN1CC[NH+](C)CC1 ZINC000180169423 258363241 /nfs/dbraw/zinc/36/32/41/258363241.db2.gz BOXSCYBHHWVPDA-KRWDZBQOSA-N 2 0 366.513 1.932 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000553326844 543609743 /nfs/dbraw/zinc/60/97/43/543609743.db2.gz GLFWVYBGUYKFLD-NVXWUHKLSA-N 2 0 350.507 1.084 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000553735416 543688458 /nfs/dbraw/zinc/68/84/58/543688458.db2.gz SORXIODIPNDUEY-INIZCTEOSA-N 2 0 364.534 1.332 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000553672128 543678748 /nfs/dbraw/zinc/67/87/48/543678748.db2.gz MGLPTJCGXJJWCH-KRWDZBQOSA-N 2 0 364.534 1.381 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000559376216 544664478 /nfs/dbraw/zinc/66/44/78/544664478.db2.gz HJDQNIFYKWONLA-UHFFFAOYSA-N 2 0 352.523 1.378 20 30 FDEDRP Cc1nc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1C#N ZINC000299588984 259008939 /nfs/dbraw/zinc/00/89/39/259008939.db2.gz SQHQMSWLLCCNCK-UHFFFAOYSA-N 2 0 364.453 1.599 20 30 FDEDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000330758880 259161461 /nfs/dbraw/zinc/16/14/61/259161461.db2.gz FOBOQHVMKVPTTA-UHFFFAOYSA-N 2 0 350.488 1.205 20 30 FDEDRP C[C@H]1CN(CC(=O)Nc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000368197157 260148881 /nfs/dbraw/zinc/14/88/81/260148881.db2.gz BHKJQUPOEXMRCO-INIZCTEOSA-N 2 0 355.486 1.597 20 30 FDEDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000368417932 260180032 /nfs/dbraw/zinc/18/00/32/260180032.db2.gz VFJXWIUXFFHSGV-LMQGHGSNSA-N 2 0 373.497 1.777 20 30 FDEDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000368417930 260180084 /nfs/dbraw/zinc/18/00/84/260180084.db2.gz VFJXWIUXFFHSGV-GKBFQHABSA-N 2 0 373.497 1.777 20 30 FDEDRP N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000051958208 523097552 /nfs/dbraw/zinc/09/75/52/523097552.db2.gz XIPDTVXIOUHQQS-FQEVSTJZSA-N 2 0 373.497 1.537 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000077663092 523407353 /nfs/dbraw/zinc/40/73/53/523407353.db2.gz ZBFYPSQXJHAWHN-KRWDZBQOSA-N 2 0 364.534 1.827 20 30 FDEDRP CC(C)(C)OC(=O)N1CCN2C(NCCC[NH+]3CCCC3)=[NH+]C[C@@H]2C1 ZINC000089120173 524477519 /nfs/dbraw/zinc/47/75/19/524477519.db2.gz FEZYJOIXYHRRJD-OAHLLOKOSA-N 2 0 351.495 1.353 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000089896884 524540726 /nfs/dbraw/zinc/54/07/26/524540726.db2.gz IAGODXNYNLOJJV-PMACEKPBSA-N 2 0 372.513 1.571 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COc1ccccc1C#N ZINC000125558083 525213357 /nfs/dbraw/zinc/21/33/57/525213357.db2.gz SFCICZQHLLCPNB-SFHVURJKSA-N 2 0 358.486 1.812 20 30 FDEDRP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107370982 525880186 /nfs/dbraw/zinc/88/01/86/525880186.db2.gz SZYJWKZYSHDZRP-RTWAWAEBSA-N 2 0 373.541 1.867 20 30 FDEDRP CC[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262812088 536908026 /nfs/dbraw/zinc/90/80/26/536908026.db2.gz URKVBUKXNMUHDY-IAGOWNOFSA-N 2 0 357.506 1.061 20 30 FDEDRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000330939573 537662668 /nfs/dbraw/zinc/66/26/68/537662668.db2.gz WSHMTXPZPPJVAA-CVEARBPZSA-N 2 0 353.511 1.810 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000561412754 545837343 /nfs/dbraw/zinc/83/73/43/545837343.db2.gz RESKLCPZEBCIMG-INIZCTEOSA-N 2 0 352.523 1.236 20 30 FDEDRP N#Cc1csc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000568497329 548559419 /nfs/dbraw/zinc/55/94/19/548559419.db2.gz RTXFCTLTLRBYPY-UHFFFAOYSA-N 2 0 357.487 1.497 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000578747875 550797178 /nfs/dbraw/zinc/79/71/78/550797178.db2.gz WFRINXASJLRSSE-SFHVURJKSA-N 2 0 362.518 1.230 20 30 FDEDRP N#CC[C@]1(O)CC[NH+](Cc2ccc(C[N@H+]3CC[C@@](O)(CC#N)C3)cc2)C1 ZINC000592149591 551950133 /nfs/dbraw/zinc/95/01/33/551950133.db2.gz RUWPGXRHIZFOIA-PMACEKPBSA-N 2 0 354.454 1.388 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000592353350 551983861 /nfs/dbraw/zinc/98/38/61/551983861.db2.gz VXSXDXMMQVUMDL-UHFFFAOYSA-N 2 0 364.534 1.971 20 30 FDEDRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593714490 552180692 /nfs/dbraw/zinc/18/06/92/552180692.db2.gz XUTYEIUANOTQFO-BEFAXECRSA-N 2 0 355.486 1.820 20 30 FDEDRP CN(C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CC[NH2+]CC1 ZINC000593721568 552182387 /nfs/dbraw/zinc/18/23/87/552182387.db2.gz PSZXQHJJURWQAT-UHFFFAOYSA-N 2 0 355.486 1.916 20 30 FDEDRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCO1 ZINC000593721572 552182485 /nfs/dbraw/zinc/18/24/85/552182485.db2.gz PUOIEEGZIWDLJH-BEFAXECRSA-N 2 0 371.485 1.280 20 30 FDEDRP C[C@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[C@@H]1[NH3+] ZINC000593722999 552182593 /nfs/dbraw/zinc/18/25/93/552182593.db2.gz ZGROQCSAVIPWQM-KXBFYZLASA-N 2 0 355.486 1.901 20 30 FDEDRP C[C@]1(C[NH3+])CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593722277 552182619 /nfs/dbraw/zinc/18/26/19/552182619.db2.gz WPLYBGANBAADLY-HXUWFJFHSA-N 2 0 355.486 1.903 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)c1 ZINC000593885637 552217105 /nfs/dbraw/zinc/21/71/05/552217105.db2.gz IPMMDGADEJODSA-FQEVSTJZSA-N 2 0 367.497 1.029 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)c3csc(CC[NH3+])n3)CC2)c1 ZINC000593919106 552225507 /nfs/dbraw/zinc/22/55/07/552225507.db2.gz OPZDBAQPSIMEBW-UHFFFAOYSA-N 2 0 369.494 1.910 20 30 FDEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000594439987 552311159 /nfs/dbraw/zinc/31/11/59/552311159.db2.gz XCYXVZXAZUEGOC-LJQANCHMSA-N 2 0 358.486 1.671 20 30 FDEDRP N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000594441903 552311290 /nfs/dbraw/zinc/31/12/90/552311290.db2.gz YBDUBINTVJPOKM-GOSISDBHSA-N 2 0 371.485 1.734 20 30 FDEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000594444674 552311656 /nfs/dbraw/zinc/31/16/56/552311656.db2.gz BIMZMMKONBQGFR-OALUTQOASA-N 2 0 358.486 1.805 20 30 FDEDRP CC(C)[N@@H+]1CCCC[C@H]1Cn1cc(CN2CCOCC2)cc(C#N)c1=O ZINC000596284802 552670993 /nfs/dbraw/zinc/67/09/93/552670993.db2.gz FJXUEWBCHLZRNH-IBGZPJMESA-N 2 0 358.486 1.815 20 30 FDEDRP N#CC1(C[C@@H](O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CCOCC1 ZINC000599305199 553021201 /nfs/dbraw/zinc/02/12/01/553021201.db2.gz VTMLQYAMDCQKCC-GOSISDBHSA-N 2 0 365.518 1.635 20 30 FDEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000600726494 553308101 /nfs/dbraw/zinc/30/81/01/553308101.db2.gz LOTOOCTWDRULRO-IEBWSBKVSA-N 2 0 360.502 1.161 20 30 FDEDRP C=CCOc1c(Cl)cc(C[NH2+]CC(=O)N2CCN(C)CC2)cc1OC ZINC000623381532 556411250 /nfs/dbraw/zinc/41/12/50/556411250.db2.gz YNSUDYAQEYUBGT-UHFFFAOYSA-N 2 0 367.877 1.777 20 30 FDEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000245689811 672458177 /nfs/dbraw/zinc/45/81/77/672458177.db2.gz VTGJRHDIBKNXEK-GJZGRUSLSA-N 2 0 364.925 1.821 20 30 FDEDRP CC[NH+]=C(NC[C@H]1CCCCN1CC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261988205 672707382 /nfs/dbraw/zinc/70/73/82/672707382.db2.gz QRWIDJWEUHWUCE-OAHLLOKOSA-N 2 0 358.552 1.335 20 30 FDEDRP CC(C)[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000330171953 676676439 /nfs/dbraw/zinc/67/64/39/676676439.db2.gz FYJHSZZBRVLPLW-MSOLQXFVSA-N 2 0 352.523 1.741 20 30 FDEDRP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000330187206 676677238 /nfs/dbraw/zinc/67/72/38/676677238.db2.gz KGINMKFOODODNE-CRAIPNDOSA-N 2 0 352.523 1.694 20 30 FDEDRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330190102 676677460 /nfs/dbraw/zinc/67/74/60/676677460.db2.gz VWSCREAOKOPNMU-XDNAFOTISA-N 2 0 350.507 1.495 20 30 FDEDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000520518236 690329846 /nfs/dbraw/zinc/32/98/46/690329846.db2.gz YVAOBTLAPVGXSV-UHFFFAOYSA-N 2 0 358.895 1.326 20 30 FDEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001112481137 771872185 /nfs/dbraw/zinc/87/21/85/771872185.db2.gz FHALYNRHMWUOJB-UJRDFLTJSA-N 2 0 357.498 1.091 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656311086 774898219 /nfs/dbraw/zinc/89/82/19/774898219.db2.gz IWBOLPZLOSNLBR-ZWKOTPCHSA-N 2 0 362.518 1.276 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001104363953 777490642 /nfs/dbraw/zinc/49/06/42/777490642.db2.gz PWZVKIAAKQJBTF-IXDOHACOSA-N 2 0 366.550 1.482 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000891520846 778205942 /nfs/dbraw/zinc/20/59/42/778205942.db2.gz RCAIZOHEJSPTQQ-KRWDZBQOSA-N 2 0 350.507 1.485 20 30 FDEDRP COc1ccc(CCNN=Cc2cnc(N3CCN(C)CC3)nc2)cc1 ZINC000755732648 784189480 /nfs/dbraw/zinc/18/94/80/784189480.db2.gz GVGNDDYNEAWUDP-UHFFFAOYSA-N 2 0 354.458 1.403 20 30 FDEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)Cn2cncc2C)C[C@H]1c1ccccc1 ZINC001211632391 785043526 /nfs/dbraw/zinc/04/35/26/785043526.db2.gz AYEWXTICWSBRLO-VQTJNVASSA-N 2 0 366.465 1.426 20 30 FDEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001104682365 789366781 /nfs/dbraw/zinc/36/67/81/789366781.db2.gz NUXASROEXZVMSA-QZTJIDSGSA-N 2 0 351.535 1.688 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001104927716 794435759 /nfs/dbraw/zinc/43/57/59/794435759.db2.gz QJALEBXTKIURFE-FGTMMUONSA-N 2 0 366.550 1.483 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195291541 796141923 /nfs/dbraw/zinc/14/19/23/796141923.db2.gz WIECPWQNCRDBPQ-LJQANCHMSA-N 2 0 359.518 1.006 20 30 FDEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001112532046 807206245 /nfs/dbraw/zinc/20/62/45/807206245.db2.gz DYAUZSFFVJAPFP-ZJOUEHCJSA-N 2 0 361.530 1.729 20 30 FDEDRP C[NH+]=C(NCC1(N2CCCCC2)CC[NH+](C)CC1)N(C)Cc1ccon1 ZINC000261683744 809530275 /nfs/dbraw/zinc/53/02/75/809530275.db2.gz DJLSLNVMAAZEEB-UHFFFAOYSA-N 2 0 362.522 1.632 20 30 FDEDRP C[NH+]1CCN(CCC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000433339086 810446928 /nfs/dbraw/zinc/44/69/28/810446928.db2.gz JPFOBFAFYBFTBT-UHFFFAOYSA-N 2 0 367.501 1.586 20 30 FDEDRP C[NH+]=C(NCC(=O)N1CCc2ccccc21)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261933304 811346405 /nfs/dbraw/zinc/34/64/05/811346405.db2.gz BWBPBAXNIZFAAY-RHSMWYFYSA-N 2 0 355.486 1.223 20 30 FDEDRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000261993121 811362967 /nfs/dbraw/zinc/36/29/67/811362967.db2.gz MYABLKLGPPUNMN-MRXNPFEDSA-N 2 0 359.522 1.424 20 30 FDEDRP COc1ccc(CNC(=[NH2+])NCCN2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC000281740127 826203066 /nfs/dbraw/zinc/20/30/66/826203066.db2.gz JWRAQPUHFVISOO-UHFFFAOYSA-N 2 0 363.506 1.134 20 30 FDEDRP C[NH+]=C(NCCc1nnc2n1CCCCC2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262454208 826983769 /nfs/dbraw/zinc/98/37/69/826983769.db2.gz KQHICFQZFVCKRQ-QGZVFWFLSA-N 2 0 373.549 1.683 20 30 FDEDRP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1 ZINC001088201230 827443704 /nfs/dbraw/zinc/44/37/04/827443704.db2.gz RHNPFORTRQLBNV-RTWAWAEBSA-N 2 0 351.494 1.914 20 30 FDEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCOc2ccc(C#N)cc2OC)CC1 ZINC000451993659 830494835 /nfs/dbraw/zinc/49/48/35/830494835.db2.gz UWHFDRAARHWUDG-UHFFFAOYSA-N 2 0 360.502 1.951 20 30 FDEDRP C#CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CCO2 ZINC001105471087 837906507 /nfs/dbraw/zinc/90/65/07/837906507.db2.gz UTNTWZDPURDAAS-KYBDOYODSA-N 2 0 361.530 1.870 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001105653505 842455712 /nfs/dbraw/zinc/45/57/12/842455712.db2.gz VZDAFBVWKHRHIA-WIRSXHRWSA-N 2 0 363.546 1.870 20 30 FDEDRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(OCC#N)cc4)C[C@H]32)C1 ZINC001076569499 848467401 /nfs/dbraw/zinc/46/74/01/848467401.db2.gz YWQXDXANVSFWDH-CMKODMSKSA-N 2 0 368.481 1.573 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](C[C@@H]4CCCCO4)C[C@H]32)CC1 ZINC001076605479 848555549 /nfs/dbraw/zinc/55/55/49/848555549.db2.gz BXKSOSKVBONMGA-SLFFLAALSA-N 2 0 359.514 1.433 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCCCCCC2CC[NH2+]CC2)CC1 ZINC000911237865 858349125 /nfs/dbraw/zinc/34/91/25/858349125.db2.gz ZWEZLCHYWGDZST-UHFFFAOYSA-N 2 0 364.534 1.429 20 30 FDEDRP C#CCN(C(=O)NCc1cccc(OCC[NH+](C)C)c1)C1CC[NH+](C)CC1 ZINC000914026627 870383818 /nfs/dbraw/zinc/38/38/18/870383818.db2.gz HYFAWFCCTFALDU-UHFFFAOYSA-N 2 0 372.513 1.866 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)CC1 ZINC000917137188 883109199 /nfs/dbraw/zinc/10/91/99/883109199.db2.gz MFPILXGLGBJZBF-SFHVURJKSA-N 2 0 364.534 1.922 20 30 FDEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001106778798 877788849 /nfs/dbraw/zinc/78/88/49/877788849.db2.gz QTYHCLFRBGHGKT-ZHALLVOQSA-N 2 0 366.550 1.339 20 30 FDEDRP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001034325195 884195469 /nfs/dbraw/zinc/19/54/69/884195469.db2.gz ZEFKUIAMVOQLDY-QRVBRYPASA-N 2 0 365.518 1.413 20 30 FDEDRP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3ccc(OCC#N)cc3)C2)CC[N@@H+]1C ZINC001031681355 887379182 /nfs/dbraw/zinc/37/91/82/887379182.db2.gz NZLROVYRDITTJV-DNVCBOLYSA-N 2 0 356.470 1.477 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000923393347 889105074 /nfs/dbraw/zinc/10/50/74/889105074.db2.gz PACDVOYSKJEGAU-HNBVOPMISA-N 2 0 359.470 1.659 20 30 FDEDRP C#CCC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001128107517 896967437 /nfs/dbraw/zinc/96/74/37/896967437.db2.gz SKFRMUDFVYDIDL-NZSAHSFTSA-N 2 0 369.513 1.230 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CC[C@H]3CCCO3)[C@H](C)C2)CC1 ZINC001107034386 899839092 /nfs/dbraw/zinc/83/90/92/899839092.db2.gz YUTGYTWSNWBABV-MISYRCLQSA-N 2 0 361.530 1.585 20 30 FDEDRP C#CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001079129899 901937754 /nfs/dbraw/zinc/93/77/54/901937754.db2.gz NCKZRNDBFWXIAO-VAMGGRTRSA-N 2 0 355.482 1.178 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@H]2OC)CC1 ZINC001082384156 907385924 /nfs/dbraw/zinc/38/59/24/907385924.db2.gz GGMRNLIBCOAXML-NHCUHLMSSA-N 2 0 369.509 1.656 20 30 FDEDRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001082719389 909815561 /nfs/dbraw/zinc/81/55/61/909815561.db2.gz DYWZLBUDSCTHRJ-AUUYWEPGSA-N 2 0 358.461 1.976 20 30 FDEDRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccc(C#N)s4)[C@H]3C2)C1 ZINC001085092802 920806754 /nfs/dbraw/zinc/80/67/54/920806754.db2.gz QSSXBPAJIFXERC-VKJFTORMSA-N 2 0 358.511 1.994 20 30 FDEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085279483 923461436 /nfs/dbraw/zinc/46/14/36/923461436.db2.gz MHQRKVFVXYEIGN-YLADIXGZSA-N 2 0 353.894 1.619 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H](C)c2cnccn2)CC1 ZINC001085432614 924680362 /nfs/dbraw/zinc/68/03/62/924680362.db2.gz HKVFOHICQAPFDB-BHIYHBOVSA-N 2 0 369.513 1.900 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)OCCCOC(=O)C2CC[NH+](CC#C)CC2)CC1 ZINC000735937694 924684420 /nfs/dbraw/zinc/68/44/20/924684420.db2.gz NAWZPCVAWPQNAL-UHFFFAOYSA-N 2 0 374.481 1.153 20 30 FDEDRP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129337464 928765284 /nfs/dbraw/zinc/76/52/84/928765284.db2.gz JCRDCTHWGWIPDS-MSOLQXFVSA-N 2 0 362.522 1.708 20 30 FDEDRP COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001112564510 931607478 /nfs/dbraw/zinc/60/74/78/931607478.db2.gz XXWPLYKONZMSOV-UWJYYQICSA-N 2 0 370.497 1.629 20 30 FDEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433856 938424165 /nfs/dbraw/zinc/42/41/65/938424165.db2.gz WDYRRRBNFGQMFF-KSZLIROESA-N 2 0 362.522 1.542 20 30 FDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130094663 938679398 /nfs/dbraw/zinc/67/93/98/938679398.db2.gz OYQJODPFCHSNJP-KURKYZTESA-N 2 0 362.522 1.706 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130137110 938710057 /nfs/dbraw/zinc/71/00/57/938710057.db2.gz IYCIKWZZUSWEPS-MOPGFXCFSA-N 2 0 366.469 1.018 20 30 FDEDRP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001130293476 938796906 /nfs/dbraw/zinc/79/69/06/938796906.db2.gz WEXUPDGLDNUYTB-AEFFLSMTSA-N 2 0 364.534 1.378 20 30 FDEDRP C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[NH+](CC)CC)CC1 ZINC001130305438 938803891 /nfs/dbraw/zinc/80/38/91/938803891.db2.gz ZXLQQXMTIVXKDL-XLIONFOSSA-N 2 0 364.534 1.380 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130614685 939911936 /nfs/dbraw/zinc/91/19/36/939911936.db2.gz BDYOSXMTUVHVPS-UHOSZYNNSA-N 2 0 359.518 1.755 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1c1cn(C)cn1 ZINC001130621920 939931599 /nfs/dbraw/zinc/93/15/99/939931599.db2.gz GSABWLISIIBUFN-PKOBYXMFSA-N 2 0 364.453 1.842 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1c1cn(C)cn1 ZINC001130687846 939977850 /nfs/dbraw/zinc/97/78/50/939977850.db2.gz SXYFAPDCWXYEOF-CMKODMSKSA-N 2 0 371.529 1.592 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131042794 940471898 /nfs/dbraw/zinc/47/18/98/940471898.db2.gz WSAUGWMCAAVIRY-IAGOWNOFSA-N 2 0 359.518 1.755 20 30 FDEDRP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001131585061 940770786 /nfs/dbraw/zinc/77/07/86/940770786.db2.gz LTIJOMGPCFMSMY-CTNGQTDRSA-N 2 0 361.530 1.727 20 30 FDEDRP C#CC[N@H+](C)CCCNC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000818612325 943301108 /nfs/dbraw/zinc/30/11/08/943301108.db2.gz WKVXWIBOXQOVKH-UHFFFAOYSA-N 2 0 356.514 1.578 20 30 FDEDRP C#CC[NH+]1CC[C@H](Oc2ccnc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)c2)C1 ZINC001091400540 951572500 /nfs/dbraw/zinc/57/25/00/951572500.db2.gz LMMQVLVOBYFLRY-SLFFLAALSA-N 2 0 370.497 1.514 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1c1cnn(C)c1 ZINC001086987926 953011479 /nfs/dbraw/zinc/01/14/79/953011479.db2.gz VGJZYZRXXOBMCJ-ZWKOTPCHSA-N 2 0 350.426 1.452 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001087000772 953052156 /nfs/dbraw/zinc/05/21/56/953052156.db2.gz NEMYILWCDJNWBP-IPMKNSEASA-N 2 0 359.518 1.753 20 30 FDEDRP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2 ZINC001092275784 954668539 /nfs/dbraw/zinc/66/85/39/954668539.db2.gz PUNZTPPFWZBQMB-IRLDBZIGSA-N 2 0 351.494 1.914 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3nccnc3C)C[C@H]2C)CC1 ZINC001093224453 957856133 /nfs/dbraw/zinc/85/61/33/957856133.db2.gz WSICNVGWUVOHTP-VQIMIIECSA-N 2 0 369.513 1.314 20 30 FDEDRP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C)cc1C#N ZINC001093673242 958516506 /nfs/dbraw/zinc/51/65/06/958516506.db2.gz MZOXSNWGAMMKKW-LZQZEXGQSA-N 2 0 370.497 1.845 20 30 FDEDRP C=C(C[NH+]1CCCC1)C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001183044058 962758128 /nfs/dbraw/zinc/75/81/28/962758128.db2.gz BSNIRCAJKOIKPM-UHFFFAOYSA-N 2 0 354.454 1.495 20 30 FDEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC12CCOCC2 ZINC001186373063 964480073 /nfs/dbraw/zinc/48/00/73/964480073.db2.gz GEGXMCWGROMJCH-BRWVUGGUSA-N 2 0 369.937 1.924 20 30 FDEDRP C=CCN(CC=C)C(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958266 965929992 /nfs/dbraw/zinc/92/99/92/965929992.db2.gz NVIYYGNPSPWLRM-FCGDIQPGSA-N 2 0 374.529 1.060 20 30 FDEDRP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189870680 967321458 /nfs/dbraw/zinc/32/14/58/967321458.db2.gz CWZJRQQMBXLSOW-OKZBNKHCSA-N 2 0 362.518 1.038 20 30 FDEDRP COc1ccccc1[C@H](CNC(=O)C#CC1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000852854822 967659589 /nfs/dbraw/zinc/65/95/89/967659589.db2.gz RBWWDJUNODYDCY-IBGZPJMESA-N 2 0 355.482 1.951 20 30 FDEDRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C#CC3CC[NH2+]CC3)c2)CC1 ZINC000852859000 967664374 /nfs/dbraw/zinc/66/43/74/967664374.db2.gz LFIHYWOVDQRUHS-UHFFFAOYSA-N 2 0 368.481 1.325 20 30 FDEDRP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)C#CC1CC[NH2+]CC1 ZINC000852884199 967688015 /nfs/dbraw/zinc/68/80/15/967688015.db2.gz VJORCNVYGHFWSC-GOSISDBHSA-N 2 0 363.502 1.256 20 30 FDEDRP CC(C)[C@@H](C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O)[NH+]1CCCC1 ZINC001199128724 973932027 /nfs/dbraw/zinc/93/20/27/973932027.db2.gz SQTNRXWGFDTRBE-AQNXPRMDSA-N 2 0 370.497 1.340 20 30 FDEDRP COc1cccc([C@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[NH+](C)C)c1 ZINC000884178301 982950746 /nfs/dbraw/zinc/95/07/46/982950746.db2.gz IFAHDRBNCZLNFZ-OUBFZGACSA-N 2 0 356.470 1.553 20 30 FDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C2 ZINC000884221973 982996067 /nfs/dbraw/zinc/99/60/67/982996067.db2.gz FAXQCEJUEITUNG-LSNYBQGISA-N 2 0 352.482 1.907 20 30 FDEDRP C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C1([NH+]2CCOCC2)CCCC1 ZINC000884227280 983000891 /nfs/dbraw/zinc/00/08/91/983000891.db2.gz LZDZJKJKJAFHQJ-FXQQTDPRSA-N 2 0 360.502 1.275 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000884642296 984649945 /nfs/dbraw/zinc/64/99/45/984649945.db2.gz GEAGVEVQXVUMKO-FQEVSTJZSA-N 2 0 362.518 1.135 20 30 FDEDRP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000871050813 986617625 /nfs/dbraw/zinc/61/76/25/986617625.db2.gz KDCNOUHXAMBWDZ-TVFCKZIOSA-N 2 0 372.517 1.530 20 30 FDEDRP C=CCCC[C@H](C)NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875229394 991143741 /nfs/dbraw/zinc/14/37/41/991143741.db2.gz WLEMVZKMQMNILN-GVDBMIGSSA-N 2 0 352.523 1.045 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000877116471 993056238 /nfs/dbraw/zinc/05/62/38/993056238.db2.gz YMYQEQFEYIWPQT-ICSRJNTNSA-N 2 0 368.481 1.362 20 30 FDEDRP CC[NH+]1CCN(c2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2F)CC1 ZINC000877267081 993164145 /nfs/dbraw/zinc/16/41/45/993164145.db2.gz YKIDTJGIGUHZNJ-UHFFFAOYSA-N 2 0 358.461 1.909 20 30 FDEDRP N#Cc1ccc(N2CCC([NH2+]C[C@H]3CC4(CC[NH2+]CC4)C(=O)O3)CC2)cc1 ZINC000925848885 995795571 /nfs/dbraw/zinc/79/55/71/995795571.db2.gz FLAUJATVMCBIHX-LJQANCHMSA-N 2 0 368.481 1.802 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264982590 997666654 /nfs/dbraw/zinc/66/66/54/997666654.db2.gz MDHUZUSEWKCOAY-FQEVSTJZSA-N 2 0 373.545 1.048 20 30 FDEDRP CC[NH+](CC)Cc1ccc(CNC(NCCN2CCOCC2)=[NH+]C)cc1 ZINC000265002729 997671452 /nfs/dbraw/zinc/67/14/52/997671452.db2.gz WUCNGEYTNQACEO-UHFFFAOYSA-N 2 0 361.534 1.526 20 30 FDEDRP [NH2+]=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)N1CCOCC1 ZINC000267416060 999329999 /nfs/dbraw/zinc/32/99/99/999329999.db2.gz YYTYERUXBQHPOW-UHFFFAOYSA-N 2 0 360.502 1.705 20 30 FDEDRP C#Cc1ccc(NC(=O)CC[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000929952986 1002641122 /nfs/dbraw/zinc/64/11/22/1002641122.db2.gz KUXMBYNOWRSCKI-UHFFFAOYSA-N 2 0 370.497 1.386 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652146928 1016769109 /nfs/dbraw/zinc/76/91/09/1016769109.db2.gz BYHRNEQSBCPPEN-BQFCYCMXSA-N 2 0 350.507 1.565 20 30 FDEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001111038990 1005127308 /nfs/dbraw/zinc/12/73/08/1005127308.db2.gz UKTYQMCDBKDLEN-MANSERQUSA-N 2 0 365.518 1.411 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000157392944 1006908673 /nfs/dbraw/zinc/90/86/73/1006908673.db2.gz HJPWTXWBMFWOQT-MRXNPFEDSA-N 2 0 367.538 1.880 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)C(C)C ZINC000642769890 1007890734 /nfs/dbraw/zinc/89/07/34/1007890734.db2.gz UCLNIGFABRGIBO-DLBZAZTESA-N 2 0 350.507 1.060 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000303971350 1009783323 /nfs/dbraw/zinc/78/33/23/1009783323.db2.gz DLEYPWUHQJICLZ-GOSISDBHSA-N 3 0 361.534 1.906 20 30 FDEDRP C=CCn1cc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000648178135 1010294325 /nfs/dbraw/zinc/29/43/25/1010294325.db2.gz UGMLLTPLCKENNH-UHFFFAOYSA-N 2 0 354.458 1.187 20 30 FDEDRP C[C@@H]1CCCN(C(=[NH2+])NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000304765852 1010489234 /nfs/dbraw/zinc/48/92/34/1010489234.db2.gz ZVRXSMPAECHQFX-VQIMIIECSA-N 2 0 371.529 1.931 20 30 FDEDRP Cc1ccc(CNC(=[NH2+])NCCCN2CCOCC2)c(N2CCCC2)n1 ZINC000305831030 1012786015 /nfs/dbraw/zinc/78/60/15/1012786015.db2.gz UEKWXNPTIKYPCS-UHFFFAOYSA-N 2 0 360.506 1.117 20 30 FDEDRP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000530230450 539915789 /nfs/dbraw/zinc/91/57/89/539915789.db2.gz GFROHWRPMHGHCC-APWZRJJASA-N 2 0 359.470 1.388 20 30 FDEDRP C=CC[C@@H](CO)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000539312549 540945507 /nfs/dbraw/zinc/94/55/07/540945507.db2.gz QWLDRQJVAIPCKV-QGZVFWFLSA-N 2 0 361.490 1.078 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC000550834489 543183424 /nfs/dbraw/zinc/18/34/24/543183424.db2.gz KSUZOXKKRSTCLC-ZWKOTPCHSA-N 2 0 364.534 1.354 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000553330237 543610878 /nfs/dbraw/zinc/61/08/78/543610878.db2.gz BEWMTXZKOVBXSA-CALCHBBNSA-N 2 0 364.534 1.522 20 30 FDEDRP [NH2+]=C(NCCCN1CCOCC1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000104181720 525398789 /nfs/dbraw/zinc/39/87/89/525398789.db2.gz FURVJXFUEMTHMP-HXUWFJFHSA-N 2 0 373.545 1.178 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](CCOC)[C@H](CCC)C2)CC1 ZINC000179538015 525599650 /nfs/dbraw/zinc/59/96/50/525599650.db2.gz YUWXULGBJWZRPT-GOSISDBHSA-N 2 0 352.523 1.779 20 30 FDEDRP [NH2+]=C(NCCCN1CCOCC1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000170911769 525766685 /nfs/dbraw/zinc/76/66/85/525766685.db2.gz JVDZXADMOWPXRY-UHFFFAOYSA-N 2 0 359.518 1.409 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000171568197 526038050 /nfs/dbraw/zinc/03/80/50/526038050.db2.gz CZRMNCHYCKKWFF-SJLPKXTDSA-N 2 0 362.518 1.086 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000109174655 526086636 /nfs/dbraw/zinc/08/66/36/526086636.db2.gz SVJQNSFTFSMMAH-GOSISDBHSA-N 2 0 352.523 1.419 20 30 FDEDRP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182978591 535898971 /nfs/dbraw/zinc/89/89/71/535898971.db2.gz MESKEMIQJPCWQC-SFHVURJKSA-N 2 0 364.534 1.819 20 30 FDEDRP C#Cc1cccc(NC(=O)CN(C)CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000192723496 537231227 /nfs/dbraw/zinc/23/12/27/537231227.db2.gz DWHMELLCRFXWSI-UHFFFAOYSA-N 2 0 356.514 1.954 20 30 FDEDRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330231646 537653245 /nfs/dbraw/zinc/65/32/45/537653245.db2.gz RDPNTWGPKLVXHT-HCXYKTFWSA-N 2 0 364.534 1.837 20 30 FDEDRP N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC3CC[NH2+]CC3)CC2)cc1 ZINC000581993010 551160059 /nfs/dbraw/zinc/16/00/59/551160059.db2.gz VBZSDCQYWMHAEL-UHFFFAOYSA-N 2 0 355.486 1.775 20 30 FDEDRP N#Cc1cc(O)cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000589174470 551715642 /nfs/dbraw/zinc/71/56/42/551715642.db2.gz UIGRHWFMPYHIMF-UHFFFAOYSA-N 2 0 365.437 1.601 20 30 FDEDRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000591736735 551904700 /nfs/dbraw/zinc/90/47/00/551904700.db2.gz MUFRPFVJXJAELE-IEBWSBKVSA-N 2 0 358.486 1.056 20 30 FDEDRP N#CCc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000591756037 551906231 /nfs/dbraw/zinc/90/62/31/551906231.db2.gz JUMINXIRNWZVOC-GIVPXCGWSA-N 2 0 373.497 1.460 20 30 FDEDRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593714494 552180826 /nfs/dbraw/zinc/18/08/26/552180826.db2.gz XUTYEIUANOTQFO-KXBFYZLASA-N 2 0 355.486 1.820 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)C[C@H]3CSCC[NH2+]3)CC2)c1 ZINC000593919286 552225596 /nfs/dbraw/zinc/22/55/96/552225596.db2.gz RGFJGKJAWHRMEV-SFHVURJKSA-N 2 0 358.511 1.734 20 30 FDEDRP N#CCCCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000594439896 552310786 /nfs/dbraw/zinc/31/07/86/552310786.db2.gz VXQFRUWSVMGOKW-SFHVURJKSA-N 3 0 358.490 1.121 20 30 FDEDRP C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000594804408 552391517 /nfs/dbraw/zinc/39/15/17/552391517.db2.gz YUWRAMODELYVET-AWEZNQCLSA-N 2 0 370.494 1.389 20 30 FDEDRP COC[C@@]1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCCC[NH2+]1 ZINC000602522616 553598057 /nfs/dbraw/zinc/59/80/57/553598057.db2.gz UMQQJXIQUBKPBP-OAQYLSRUSA-N 2 0 370.497 1.798 20 30 FDEDRP C=C(CNC(=O)[C@H]1CCC[N@H+]1CCC)CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000620747885 555978800 /nfs/dbraw/zinc/97/88/00/555978800.db2.gz IEQMGCJRTNZFQH-HDICACEKSA-N 2 0 364.534 1.524 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC(CC)([NH+]3CCOCC3)CC2)CC1 ZINC000623635026 556459839 /nfs/dbraw/zinc/45/98/39/556459839.db2.gz OUULIAAMMLAYJV-UHFFFAOYSA-N 2 0 364.534 1.923 20 30 FDEDRP C[NH+]=C(NCC1CCSCC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000086911031 671484429 /nfs/dbraw/zinc/48/44/29/671484429.db2.gz RJAOJDVPMICBPT-MRXNPFEDSA-N 2 0 354.564 1.796 20 30 FDEDRP C[NH+]=C(NCCN1CCC[N@H+](C)CC1)N1CCSC2(CCCCC2)C1 ZINC000153565241 671903831 /nfs/dbraw/zinc/90/38/31/671903831.db2.gz UEZLFRXMQZZVTK-UHFFFAOYSA-N 2 0 367.607 1.951 20 30 FDEDRP C[NH+]=C(NC[C@@H](C)N1CC[NH+](C)CC1)N1CCSC2(CCCCC2)C1 ZINC000261723882 672658844 /nfs/dbraw/zinc/65/88/44/672658844.db2.gz IQOZBSBDDVACSD-QGZVFWFLSA-N 2 0 367.607 1.949 20 30 FDEDRP C[NH+]=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)NC[C@@H]1C[N@H+](C)CCN1C ZINC000261820713 672677863 /nfs/dbraw/zinc/67/78/63/672677863.db2.gz UJRFRWUXRRYKOO-QLFBSQMISA-N 2 0 363.472 1.766 20 30 FDEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)NCC1(c2cccc(Cl)c2)CC1 ZINC000261907499 672692214 /nfs/dbraw/zinc/69/22/14/672692214.db2.gz HDTJVUDUVOMFOS-KRWDZBQOSA-N 2 0 361.921 1.536 20 30 FDEDRP C[C@H](NC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2)c1ccc(Cl)cc1Cl ZINC000262776365 672847185 /nfs/dbraw/zinc/84/71/85/672847185.db2.gz JYZZRXBTUJFLRU-AAEUAGOBSA-N 2 0 356.301 1.959 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1cc(OC)ccc1OC ZINC000264083939 672900663 /nfs/dbraw/zinc/90/06/63/672900663.db2.gz IHQKOPGYIGUTEH-BBRMVZONSA-N 2 0 350.463 1.126 20 30 FDEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000303902435 676543802 /nfs/dbraw/zinc/54/38/02/676543802.db2.gz UAFBUBBCSWAEJV-QZTJIDSGSA-N 2 0 353.555 1.371 20 30 FDEDRP COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000303975498 676544012 /nfs/dbraw/zinc/54/40/12/676544012.db2.gz JCDFODAZEGLUKE-HNNXBMFYSA-N 2 0 350.463 1.219 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000304749670 676544341 /nfs/dbraw/zinc/54/43/41/676544341.db2.gz HWZUJSIFOAXDON-BBRMVZONSA-N 2 0 353.461 1.956 20 30 FDEDRP O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000329128043 676621618 /nfs/dbraw/zinc/62/16/18/676621618.db2.gz VDDZSCXBEFEDND-SJORKVTESA-N 2 0 350.507 1.762 20 30 FDEDRP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC[N@@H+]1C ZINC000329294917 676631620 /nfs/dbraw/zinc/63/16/20/676631620.db2.gz SBHHFJHZYAHVCE-DDBAPUKQSA-N 2 0 352.523 1.741 20 30 FDEDRP C[NH+]1CCC[C@H]1C(=O)NC1(CNC(=O)[C@H]2CCC[N@H+]2C)CCOCC1 ZINC000329716043 676651061 /nfs/dbraw/zinc/65/10/61/676651061.db2.gz VWOZDYWQBYSROK-CABCVRRESA-N 2 0 352.479 1.637 20 30 FDEDRP C[C@H](C[NH+]1CCCCC1)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330176027 676676627 /nfs/dbraw/zinc/67/66/27/676676627.db2.gz JPMQCYVJINHXED-KBAYOESNSA-N 2 0 352.523 1.742 20 30 FDEDRP CC(C)[N@@H+]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000330245790 676680732 /nfs/dbraw/zinc/68/07/32/676680732.db2.gz XWCKEGSLORTACO-QZTJIDSGSA-N 2 0 352.523 1.694 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000419567093 680279119 /nfs/dbraw/zinc/27/91/19/680279119.db2.gz HOZLDEOKZSIUKJ-YESZJQIVSA-N 2 0 350.507 1.058 20 30 FDEDRP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@H]2C1 ZINC001083194059 771239665 /nfs/dbraw/zinc/23/96/65/771239665.db2.gz UCINBPXGUZFERJ-VQTJNVASSA-N 2 0 357.498 1.892 20 30 FDEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC001104290018 773663500 /nfs/dbraw/zinc/66/35/00/773663500.db2.gz XKGLUDLOJUIWOX-QWFCFKBJSA-N 2 0 361.530 1.727 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001104294611 773895364 /nfs/dbraw/zinc/89/53/64/773895364.db2.gz TWJDVIQOKYBWRL-IXDOHACOSA-N 2 0 364.534 1.236 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cncn3C)C2)CC1 ZINC001105060516 795102376 /nfs/dbraw/zinc/10/23/76/795102376.db2.gz HHGNZWXMFBPXDK-IEBWSBKVSA-N 2 0 371.529 1.340 20 30 FDEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH+]([C@@H](C)C(=O)NCC=C)CC2 ZINC000364080267 795135686 /nfs/dbraw/zinc/13/56/86/795135686.db2.gz FKLRZAFQHGBFKS-IRXDYDNUSA-N 2 0 362.518 1.156 20 30 FDEDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCC(=O)NC1(C#N)CCCCC1 ZINC000364347609 795795052 /nfs/dbraw/zinc/79/50/52/795795052.db2.gz OFEMHFXWDBFHDS-FGTMMUONSA-N 2 0 362.518 1.808 20 30 FDEDRP N#Cc1ccncc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000512411657 809274583 /nfs/dbraw/zinc/27/45/83/809274583.db2.gz PHSDJKIUHNIOEV-UHFFFAOYSA-N 2 0 350.426 1.290 20 30 FDEDRP C[NH+]=C(NCc1nncn1-c1ccccc1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261693034 811298912 /nfs/dbraw/zinc/29/89/12/811298912.db2.gz FIEOUEGAYIPJBK-RHSMWYFYSA-N 2 0 353.474 1.415 20 30 FDEDRP C[NH+]=C(NCc1cccnc1-n1ccnc1C)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262004587 811365107 /nfs/dbraw/zinc/36/51/07/811365107.db2.gz VGWRFSJVQDFTRC-KSSFIOAISA-N 2 0 367.501 1.723 20 30 FDEDRP C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262020388 811369376 /nfs/dbraw/zinc/36/93/76/811369376.db2.gz YPJNSCSMFDSLJN-RDTXWAMCSA-N 2 0 367.501 1.723 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1)C(C)C ZINC000419564714 812020242 /nfs/dbraw/zinc/02/02/42/812020242.db2.gz CUAJDMZIQMXZOP-AEFFLSMTSA-N 2 0 364.534 1.387 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000521611613 821314008 /nfs/dbraw/zinc/31/40/08/821314008.db2.gz FYZPHONWJLUFKH-GIVPXCGWSA-N 2 0 373.497 1.655 20 30 FDEDRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC#Cc3ccccc3)CC[C@@H]2C1 ZINC001087908885 823734166 /nfs/dbraw/zinc/73/41/66/823734166.db2.gz QCHGBERTHASZHY-HKBOAZHASA-N 2 0 351.494 1.913 20 30 FDEDRP C[NH+](C)C1(CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CCCC1 ZINC000330129646 825661659 /nfs/dbraw/zinc/66/16/59/825661659.db2.gz KCIYRWKGMCIYPK-MRXNPFEDSA-N 2 0 365.522 1.013 20 30 FDEDRP [NH2+]=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCn2ccnc2C1 ZINC000262486307 827417668 /nfs/dbraw/zinc/41/76/68/827417668.db2.gz UWGPMVRGBMVERB-GOSISDBHSA-N 2 0 352.486 1.767 20 30 FDEDRP N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001088201195 827443623 /nfs/dbraw/zinc/44/36/23/827443623.db2.gz PUENQMSYXDSPQF-UXHICEINSA-N 2 0 352.482 1.934 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](C[C@H](CC)OC)CC[C@@H]3C2)CC1 ZINC001088211799 827492660 /nfs/dbraw/zinc/49/26/60/827492660.db2.gz ARZKRTWMBDPURW-AABGKKOBSA-N 2 0 361.530 1.537 20 30 FDEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000451996798 830497285 /nfs/dbraw/zinc/49/72/85/830497285.db2.gz YJAFLXCYPIINJW-UHFFFAOYSA-N 2 0 357.502 1.180 20 30 FDEDRP C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105658963 842500402 /nfs/dbraw/zinc/50/04/02/842500402.db2.gz LNPIPLOPLVRCIF-JYBIWHBTSA-N 2 0 351.535 1.870 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3CC[NH+](C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001105660803 842578674 /nfs/dbraw/zinc/57/86/74/842578674.db2.gz YOUDWAYURBTBEK-WERVVEIQSA-N 2 0 361.530 1.318 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C(C)C)C[C@H]1O ZINC001105668652 843827686 /nfs/dbraw/zinc/82/76/86/843827686.db2.gz YCRUSPLVXHNJQI-DCXXXQMHSA-N 2 0 359.514 1.072 20 30 FDEDRP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)C1CC[NH+](C)CC1 ZINC000906452236 852901277 /nfs/dbraw/zinc/90/12/77/852901277.db2.gz NNRUYBGCXXDIOB-OALUTQOASA-N 2 0 357.502 1.011 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000668840224 857692641 /nfs/dbraw/zinc/69/26/41/857692641.db2.gz FKLVYOGNEMEGLA-MRXNPFEDSA-N 2 0 350.507 1.132 20 30 FDEDRP C[N@@H+]1CCC[C@](O)(CC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000911921422 859111049 /nfs/dbraw/zinc/11/10/49/859111049.db2.gz IUXAXHPQRUELHA-NRFANRHFSA-N 2 0 370.497 1.486 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C(=C)CC[NH+](C)C ZINC000912075572 859331317 /nfs/dbraw/zinc/33/13/17/859331317.db2.gz PYDBXVRXDWKQIB-QZTJIDSGSA-N 2 0 364.534 1.546 20 30 FDEDRP CC[NH+]1CCN([C@H](C)CNC(NC[C@@H]2CCCO2)=[NH+]C(C)(C)C)CC1 ZINC000912507761 859832749 /nfs/dbraw/zinc/83/27/49/859832749.db2.gz DUWDDCGCVDRQQL-SJORKVTESA-N 2 0 353.555 1.525 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)CC1 ZINC000761031302 863821264 /nfs/dbraw/zinc/82/12/64/863821264.db2.gz PWDHYUSGYKKXQY-UHFFFAOYSA-N 2 0 360.546 1.349 20 30 FDEDRP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106881521 881907445 /nfs/dbraw/zinc/90/74/45/881907445.db2.gz FFOFLTYNRLHEKI-BPLDGKMQSA-N 2 0 358.324 1.921 20 30 FDEDRP C#CCN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CC[NH+](C)CC1 ZINC000917000913 882776079 /nfs/dbraw/zinc/77/60/79/882776079.db2.gz YXALHRYWRCIJDJ-UHFFFAOYSA-N 2 0 362.518 1.370 20 30 FDEDRP C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]2C)C1=O ZINC001106340349 874838602 /nfs/dbraw/zinc/83/86/02/874838602.db2.gz TWFJKIAQXORROK-ZACQAIPSSA-N 2 0 364.534 1.188 20 30 FDEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001106357740 874895682 /nfs/dbraw/zinc/89/56/82/874895682.db2.gz MIUTYDXDDIFVKE-GUDVDZBRSA-N 2 0 351.535 1.994 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001106798490 878003562 /nfs/dbraw/zinc/00/35/62/878003562.db2.gz HPADVPWJZLKEOS-FGTMMUONSA-N 2 0 364.534 1.093 20 30 FDEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001106862622 881302648 /nfs/dbraw/zinc/30/26/48/881302648.db2.gz LZIPCUZZIASHPV-KNKQGSTJSA-N 2 0 371.525 1.797 20 30 FDEDRP C=CCN1CC[C@H]([NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC001005407227 883298537 /nfs/dbraw/zinc/29/85/37/883298537.db2.gz NTEZYKQDABJMGK-NXHRZFHOSA-N 2 0 362.518 1.036 20 30 FDEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129029887 885342786 /nfs/dbraw/zinc/34/27/86/885342786.db2.gz OALFOUBTMQFFEV-BBWFWOEESA-N 2 0 366.485 1.266 20 30 FDEDRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)C1CC1 ZINC000187056592 887734496 /nfs/dbraw/zinc/73/44/96/887734496.db2.gz DKKXJDWNVVHVGV-FQEVSTJZSA-N 2 0 373.545 1.524 20 30 FDEDRP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000923328722 888887735 /nfs/dbraw/zinc/88/77/35/888887735.db2.gz NECJVIIUEIXLIQ-YTQUADARSA-N 2 0 356.470 1.172 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000923393582 889106761 /nfs/dbraw/zinc/10/67/61/889106761.db2.gz TWMYSTZBMCSHGC-SOAMZJECSA-N 2 0 359.470 1.659 20 30 FDEDRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084231752 913778795 /nfs/dbraw/zinc/77/87/95/913778795.db2.gz KLHYNLZZDCVDDR-AYOQOUSVSA-N 2 0 356.445 1.824 20 30 FDEDRP N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)c1 ZINC001084349202 914135682 /nfs/dbraw/zinc/13/56/82/914135682.db2.gz BJNQTBHFETUAOP-QHAWAJNXSA-N 2 0 364.493 1.933 20 30 FDEDRP C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001079147245 901971951 /nfs/dbraw/zinc/97/19/51/901971951.db2.gz FEPKGINYPHCECB-PWRODBHTSA-N 2 0 369.509 1.568 20 30 FDEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079227102 902238762 /nfs/dbraw/zinc/23/87/62/902238762.db2.gz CFVOYBQQCBGLDL-IPMKNSEASA-N 2 0 361.530 1.986 20 30 FDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]3COC[C@@H]32)CC1 ZINC001079243111 902340456 /nfs/dbraw/zinc/34/04/56/902340456.db2.gz LZHHZENQRQWRFQ-INDMIFKZSA-N 2 0 361.530 1.842 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2C)CC1 ZINC001080997605 906971226 /nfs/dbraw/zinc/97/12/26/906971226.db2.gz GPTVWPBWACDBTM-NZSAHSFTSA-N 2 0 361.530 1.583 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@H]2OC)CC1 ZINC001082383293 907376034 /nfs/dbraw/zinc/37/60/34/907376034.db2.gz QFVXHSFKLPHOOA-DUXKGJEZSA-N 2 0 369.509 1.908 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000921535241 907651377 /nfs/dbraw/zinc/65/13/77/907651377.db2.gz ZWFTXZJYQWIANA-RBUKOAKNSA-N 2 0 362.518 1.151 20 30 FDEDRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)C1 ZINC001082742237 909943062 /nfs/dbraw/zinc/94/30/62/909943062.db2.gz XOHUJYCLUUBURE-SPYBWZPUSA-N 2 0 358.461 1.976 20 30 FDEDRP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1 ZINC001083140320 912148954 /nfs/dbraw/zinc/14/89/54/912148954.db2.gz YOFZDJUHXWOITL-RBUKOAKNSA-N 2 0 367.453 1.759 20 30 FDEDRP C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)C2CC[NH+](C)CC2)C1=O ZINC001085319840 923840029 /nfs/dbraw/zinc/84/00/29/923840029.db2.gz RJRSWNDDOIRSSB-KURKYZTESA-N 2 0 362.518 1.132 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@@H+](C)CC)C2 ZINC001112557825 931549646 /nfs/dbraw/zinc/54/96/46/931549646.db2.gz AENHEUPFKQIXIJ-UWVAXJGDSA-N 2 0 364.534 1.237 20 30 FDEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129453835 938421025 /nfs/dbraw/zinc/42/10/25/938421025.db2.gz KZXGOFSDYXVSHH-MSOLQXFVSA-N 2 0 360.506 1.462 20 30 FDEDRP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129459910 938435905 /nfs/dbraw/zinc/43/59/05/938435905.db2.gz BHXKZENWYKQJIH-SQNIBIBYSA-N 2 0 360.506 1.316 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2c2ccccc2)CC1 ZINC001086625410 938512388 /nfs/dbraw/zinc/51/23/88/938512388.db2.gz YNTRBXXYIFHMLS-LEWJYISDSA-N 2 0 369.509 1.298 20 30 FDEDRP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130007138 938624564 /nfs/dbraw/zinc/62/45/64/938624564.db2.gz BGXBIQAUKGRYID-SQNIBIBYSA-N 2 0 362.522 1.706 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001130028503 938630799 /nfs/dbraw/zinc/63/07/99/938630799.db2.gz UKEOPFOBOUCGQO-MSOLQXFVSA-N 2 0 360.506 1.318 20 30 FDEDRP C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001130301836 938800105 /nfs/dbraw/zinc/80/01/05/938800105.db2.gz HHORNHRWVBTBTO-AOIWGVFYSA-N 2 0 364.534 1.378 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1c1cn(C)cn1 ZINC001130622128 939920765 /nfs/dbraw/zinc/92/07/65/939920765.db2.gz RDGWGQGLUBEHBZ-SXLOBPIMSA-N 2 0 371.529 1.448 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1cn(C)cn1 ZINC001130621971 939931613 /nfs/dbraw/zinc/93/16/13/939931613.db2.gz JXORYNVNHSXIEN-FUHWJXTLSA-N 2 0 357.502 1.509 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130632807 939936181 /nfs/dbraw/zinc/93/61/81/939936181.db2.gz RGOHJAHJCWNDGI-FUHWJXTLSA-N 2 0 359.518 1.755 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130655001 939948749 /nfs/dbraw/zinc/94/87/49/939948749.db2.gz ZZIYAMXMHFJWTG-FUHWJXTLSA-N 2 0 371.485 1.849 20 30 FDEDRP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCC[NH+](C)C)n2)O1 ZINC001130804379 940175574 /nfs/dbraw/zinc/17/55/74/940175574.db2.gz FYLWQEDLRBYLGR-LSDHHAIUSA-N 2 0 364.494 1.149 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1cncn1C ZINC001131010185 940441107 /nfs/dbraw/zinc/44/11/07/940441107.db2.gz DTWPKDLRMQSKSG-IAGOWNOFSA-N 2 0 359.518 1.755 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1cncn1C ZINC001131055754 940481850 /nfs/dbraw/zinc/48/18/50/940481850.db2.gz KVDKNUGQPOYBPA-IAGOWNOFSA-N 2 0 359.518 1.612 20 30 FDEDRP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001131512104 940694174 /nfs/dbraw/zinc/69/41/74/940694174.db2.gz NLIWSKQIMGTIOO-AABGKKOBSA-N 2 0 361.530 1.870 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001131593295 940764832 /nfs/dbraw/zinc/76/48/32/940764832.db2.gz WISUSAWNFYICRR-QUCCMNQESA-N 2 0 367.534 1.517 20 30 FDEDRP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001131608842 940788660 /nfs/dbraw/zinc/78/86/60/940788660.db2.gz QNOLUQFWYUSWSH-CTNGQTDRSA-N 2 0 361.530 1.871 20 30 FDEDRP N#Cc1ccc([C@H](O)C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000818987860 943373779 /nfs/dbraw/zinc/37/37/79/943373779.db2.gz AGDWSAKJQJMWAU-OAQYLSRUSA-N 2 0 365.481 1.789 20 30 FDEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735090 952754314 /nfs/dbraw/zinc/75/43/14/952754314.db2.gz IXSYZPDEUUWWLC-LMNJBCLMSA-N 2 0 359.514 1.433 20 30 FDEDRP COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1C#N ZINC001086874536 952924676 /nfs/dbraw/zinc/92/46/76/952924676.db2.gz HWZRNAKQTRHCLS-YQVWRLOYSA-N 2 0 370.497 1.893 20 30 FDEDRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ccc(C#N)cc4F)C[C@@]3(C)C2)C1 ZINC001092273964 954659982 /nfs/dbraw/zinc/65/99/82/954659982.db2.gz YDZPSRROIXDVMT-OPYAIIAOSA-N 2 0 370.472 1.929 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133043 957617880 /nfs/dbraw/zinc/61/78/80/957617880.db2.gz MRHCUQLBMLJMGG-CRAIPNDOSA-N 2 0 370.472 1.977 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[NH+]3CCC(C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001093470812 958230434 /nfs/dbraw/zinc/23/04/34/958230434.db2.gz ZZMFWJSMBCGZEX-RMVXJAJNSA-N 2 0 361.530 1.318 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001093480554 958303791 /nfs/dbraw/zinc/30/37/91/958303791.db2.gz LRACQRZUIBKYHS-VURPSTOHSA-N 2 0 361.530 1.462 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N ZINC001093672828 958514454 /nfs/dbraw/zinc/51/44/54/958514454.db2.gz FTKXSGSECYGSJQ-LSBZLQRGSA-N 2 0 358.461 1.976 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3conc3C)[C@H](C)C2)CC1 ZINC001094240149 960159657 /nfs/dbraw/zinc/15/96/57/960159657.db2.gz SAKJFHKPAJVBGT-CRAIPNDOSA-N 2 0 358.486 1.512 20 30 FDEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474005 960643521 /nfs/dbraw/zinc/64/35/21/960643521.db2.gz FYVKKURYHNQALN-LONDADKYSA-N 2 0 357.498 1.234 20 30 FDEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001183043772 962756568 /nfs/dbraw/zinc/75/65/68/962756568.db2.gz YMYGFJPYYAYCGB-UHFFFAOYSA-N 2 0 362.518 1.184 20 30 FDEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001183043365 962756924 /nfs/dbraw/zinc/75/69/24/962756924.db2.gz RHWSSDIWJZGSJG-TZIWHRDSSA-N 2 0 361.530 1.845 20 30 FDEDRP CN1CC[N@H+](C)C[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001185266684 963890937 /nfs/dbraw/zinc/89/09/37/963890937.db2.gz CZMMZPPEDXWVPP-VAMGGRTRSA-N 2 0 369.513 1.403 20 30 FDEDRP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001188664293 966467454 /nfs/dbraw/zinc/46/74/54/966467454.db2.gz KMMIJERCICEVGV-AZUAARDMSA-N 2 0 361.530 1.824 20 30 FDEDRP C#CC[N@H+](C)CCCNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000852358670 967250662 /nfs/dbraw/zinc/25/06/62/967250662.db2.gz XZULXODNCJBCDK-UHFFFAOYSA-N 2 0 350.507 1.132 20 30 FDEDRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1 ZINC000852854645 967659353 /nfs/dbraw/zinc/65/93/53/967659353.db2.gz MAKSMTPGTKWQBE-UHFFFAOYSA-N 2 0 370.497 1.700 20 30 FDEDRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)C#CC3CC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000852858235 967662635 /nfs/dbraw/zinc/66/26/35/967662635.db2.gz VRTAZHSTSQQNPZ-ROUUACIJSA-N 2 0 369.509 1.915 20 30 FDEDRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001190351299 967773182 /nfs/dbraw/zinc/77/31/82/967773182.db2.gz UURJQLZDJPNSGD-AZUAARDMSA-N 2 0 370.497 1.962 20 30 FDEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001191468837 968524243 /nfs/dbraw/zinc/52/42/43/968524243.db2.gz PRLCRYTVNXFSHX-OTWHNJEPSA-N 2 0 365.518 1.365 20 30 FDEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCO1 ZINC001200555977 974823470 /nfs/dbraw/zinc/82/34/70/974823470.db2.gz VKCCHWKFIFYUPD-FGTMMUONSA-N 2 0 353.507 1.126 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)C[C@H]1C[NH+](C)C ZINC000867589353 976445640 /nfs/dbraw/zinc/44/56/40/976445640.db2.gz GCMZJDKNUJDQJW-HZPDHXFCSA-N 2 0 356.536 1.071 20 30 FDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000884186437 982962076 /nfs/dbraw/zinc/96/20/76/982962076.db2.gz ZSZBVIVYTDXDCV-GSVIPDFHSA-N 2 0 366.509 1.949 20 30 FDEDRP Cc1ccc([C@@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[NH+]2CCCC2)o1 ZINC000884210067 982986701 /nfs/dbraw/zinc/98/67/01/982986701.db2.gz PTWARKXZSMUDLS-MUZJZNNISA-N 2 0 356.470 1.981 20 30 FDEDRP CN1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000884319698 983081069 /nfs/dbraw/zinc/08/10/69/983081069.db2.gz BGOREZQGPULTGK-YKJDJSTDSA-N 2 0 374.435 1.966 20 30 FDEDRP C[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023729 985533436 /nfs/dbraw/zinc/53/34/36/985533436.db2.gz KNIDCGUJYAUCAR-CGTJXYLNSA-N 2 0 358.486 1.523 20 30 FDEDRP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000293342797 988041709 /nfs/dbraw/zinc/04/17/09/988041709.db2.gz KIBGITUTVKJXQD-UHFFFAOYSA-N 2 0 358.486 1.538 20 30 FDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000876781570 992908059 /nfs/dbraw/zinc/90/80/59/992908059.db2.gz OWGUOBANEFTRJP-QGZVFWFLSA-N 2 0 350.894 1.520 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000876957678 992983319 /nfs/dbraw/zinc/98/33/19/992983319.db2.gz ZBDPFVKBXJCGLD-UYAOXDASSA-N 2 0 352.482 1.983 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000877018842 993013678 /nfs/dbraw/zinc/01/36/78/993013678.db2.gz ROSYEALCTYXRTI-KBMXLJTQSA-N 2 0 366.387 1.731 20 30 FDEDRP C#CCN1C(=O)C[C@@H]([N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1=O ZINC000887305886 997137549 /nfs/dbraw/zinc/13/75/49/997137549.db2.gz CGUWLWAAJGYJJJ-IPMKNSEASA-N 2 0 351.450 1.201 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000264073542 997394936 /nfs/dbraw/zinc/39/49/36/997394936.db2.gz DVKTZIBTUVAQIP-WMZOPIPTSA-N 2 0 359.518 1.910 20 30 FDEDRP C#Cc1ccc(NC(=O)CC[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC000931549380 1004255301 /nfs/dbraw/zinc/25/53/01/1004255301.db2.gz NNSRIVJNKSEIPF-UHFFFAOYSA-N 2 0 354.498 1.708 20 30 FDEDRP [NH2+]=C(NCCCN1CCOCC1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000303697471 1009522832 /nfs/dbraw/zinc/52/28/32/1009522832.db2.gz FSAHHZOAKSFZRG-UHFFFAOYSA-N 2 0 365.566 1.802 20 30 FDEDRP CCOCCCNC(=[NH2+])NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000303882391 1009670405 /nfs/dbraw/zinc/67/04/05/1009670405.db2.gz HZTLHPHEUGAYAG-LJQANCHMSA-N 2 0 361.534 1.696 20 30 FDEDRP CCOCCCNC(=[NH2+])NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000303904856 1009687235 /nfs/dbraw/zinc/68/72/35/1009687235.db2.gz VEJWVHPICVHOHB-UHFFFAOYSA-N 2 0 361.534 1.655 20 30 FDEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NCCN2CC[NH+](CC)CC2)c1 ZINC000303909974 1009688486 /nfs/dbraw/zinc/68/84/86/1009688486.db2.gz YNCVKJMRKHBPBS-UHFFFAOYSA-N 2 0 363.506 1.848 20 30 FDEDRP C[C@H]1CCCN(C(=[NH2+])NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000304765851 1010489450 /nfs/dbraw/zinc/48/94/50/1010489450.db2.gz ZVRXSMPAECHQFX-QFBILLFUSA-N 2 0 371.529 1.931 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)C(C)C ZINC000419566611 1012572420 /nfs/dbraw/zinc/57/24/20/1012572420.db2.gz GURBWOMCPHSINF-PXNSSMCTSA-N 2 0 362.518 1.156 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2C[NH2+]C)CC1 ZINC000652692158 1017580091 /nfs/dbraw/zinc/58/00/91/1017580091.db2.gz KMPDIQUXXXVCII-UHFFFAOYSA-N 2 0 358.486 1.179 20 30 FDEDRP C[N@@H+]1CCC[C@]2(CCN(CC#CCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000528512723 539764567 /nfs/dbraw/zinc/76/45/67/539764567.db2.gz MXJHKOAHMCCNNN-NRFANRHFSA-N 2 0 351.450 1.704 20 30 FDEDRP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000530230455 539915772 /nfs/dbraw/zinc/91/57/72/539915772.db2.gz GFROHWRPMHGHCC-LPHOPBHVSA-N 2 0 359.470 1.388 20 30 FDEDRP N#Cc1ccnc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000287502509 183308747 /nfs/dbraw/zinc/30/87/47/183308747.db2.gz YHSBFSSZVKTKDZ-UHFFFAOYSA-N 2 0 350.426 1.290 20 30 FDEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000297249856 184250085 /nfs/dbraw/zinc/25/00/85/184250085.db2.gz IGPUZIBJCPFYAE-UHFFFAOYSA-N 2 0 373.501 1.354 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000553396834 543626439 /nfs/dbraw/zinc/62/64/39/543626439.db2.gz HYLIWMFEDCPONK-UHFFFAOYSA-N 2 0 366.550 1.768 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000553669064 543677806 /nfs/dbraw/zinc/67/78/06/543677806.db2.gz HNDOYBCUIBUDAD-MRXNPFEDSA-N 2 0 350.507 1.134 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000559793579 544800878 /nfs/dbraw/zinc/80/08/78/544800878.db2.gz GBZGCZTUEGXCJR-IRXDYDNUSA-N 2 0 364.534 1.237 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000077594215 523392454 /nfs/dbraw/zinc/39/24/54/523392454.db2.gz ARDHDNJIMGMFDD-UHFFFAOYSA-N 2 0 350.507 1.391 20 30 FDEDRP C[C@@H](CCNC(=[NH2+])NCCCN1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000083052660 524234346 /nfs/dbraw/zinc/23/43/46/524234346.db2.gz IWDZFOGFEOSMKH-SFHVURJKSA-N 2 0 361.534 1.524 20 30 FDEDRP CCC(=O)N1CC[C@H](NC(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)=[NH+]C)C1 ZINC000161242969 525061858 /nfs/dbraw/zinc/06/18/58/525061858.db2.gz GZXMLRJYYBCHDK-BXWFABGCSA-N 2 0 351.539 1.673 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1OC ZINC000104179061 525398239 /nfs/dbraw/zinc/39/82/39/525398239.db2.gz KABFWHIHYODNHV-HNNXBMFYSA-N 2 0 364.490 1.644 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N(C)CC(C)(C)CN2CCOCC2)CC1 ZINC000179033822 525521212 /nfs/dbraw/zinc/52/12/12/525521212.db2.gz QNCQMICOPJUSAV-UHFFFAOYSA-N 2 0 352.523 1.637 20 30 FDEDRP C[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)N1CC[NH+](C)CC1 ZINC000181702744 525900110 /nfs/dbraw/zinc/90/01/10/525900110.db2.gz NPSWRSYPFUOMCS-GOSISDBHSA-N 2 0 355.530 1.748 20 30 FDEDRP C=C(C)C[NH+]1CCC(NCc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)CC1 ZINC000132322218 525956441 /nfs/dbraw/zinc/95/64/41/525956441.db2.gz OBBQPFIWFBTMFV-SFHVURJKSA-N 2 0 366.531 1.547 20 30 FDEDRP C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000371265889 537797267 /nfs/dbraw/zinc/79/72/67/537797267.db2.gz GLFVZZMUYDFQFE-QZTJIDSGSA-N 2 0 369.513 1.845 20 30 FDEDRP C[NH+]1CCC(O)(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000433333333 538225362 /nfs/dbraw/zinc/22/53/62/538225362.db2.gz GFPKIZQBBPYVFC-UHFFFAOYSA-N 2 0 354.458 1.405 20 30 FDEDRP CN(CCC[N@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)CC[NH+](C)C ZINC000561788333 545953234 /nfs/dbraw/zinc/95/32/34/545953234.db2.gz XIFCNLCHODJZJO-HXUWFJFHSA-N 2 0 371.529 1.869 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC000577255149 550636864 /nfs/dbraw/zinc/63/68/64/550636864.db2.gz LODAVKHHCHEXQQ-UHFFFAOYSA-N 2 0 352.523 1.561 20 30 FDEDRP CN(C(=O)c1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000592168002 551952736 /nfs/dbraw/zinc/95/27/36/551952736.db2.gz SAGKFZYHGCTTGJ-ZWKOTPCHSA-N 2 0 371.485 1.812 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)NCCC3(C[NH3+])CC3)CC2)c1 ZINC000593714488 552180636 /nfs/dbraw/zinc/18/06/36/552180636.db2.gz FUSNTSGYUMMNKI-UHFFFAOYSA-N 2 0 355.486 1.951 20 30 FDEDRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)nc2)CC1 ZINC000594439184 552310660 /nfs/dbraw/zinc/31/06/60/552310660.db2.gz PDHRVIJSJCTSCY-QGZVFWFLSA-N 2 0 358.490 1.962 20 30 FDEDRP CN(CC[N@H+](C)C[C@H](O)CC1(C#N)CCOCC1)C1CC[NH+](C)CC1 ZINC000599336701 553031053 /nfs/dbraw/zinc/03/10/53/553031053.db2.gz MWXLTILLPCNAJJ-GOSISDBHSA-N 2 0 352.523 1.016 20 30 FDEDRP C[C@H]1CC[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C[NH2+]1 ZINC000599942225 553180430 /nfs/dbraw/zinc/18/04/30/553180430.db2.gz XJSHCLTZAWDTRI-QFBILLFUSA-N 2 0 355.486 1.916 20 30 FDEDRP N#CC1(C[C@H](O)C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000600717391 553306799 /nfs/dbraw/zinc/30/67/99/553306799.db2.gz LOULUVNBBBJFPV-FQEVSTJZSA-N 2 0 356.514 1.839 20 30 FDEDRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600727500 553307835 /nfs/dbraw/zinc/30/78/35/553307835.db2.gz JMZORFDWGGRROJ-INIZCTEOSA-N 2 0 350.507 1.257 20 30 FDEDRP N#CC1(C[C@H](O)C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CCOCC1 ZINC000600732834 553308858 /nfs/dbraw/zinc/30/88/58/553308858.db2.gz VNASRHFOFBLEPJ-IBGZPJMESA-N 2 0 358.486 1.959 20 30 FDEDRP CCC(CC)[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)[NH+]1CCCC1 ZINC000104160605 671594679 /nfs/dbraw/zinc/59/46/79/671594679.db2.gz LLGIFNUMVAWEHO-GOSISDBHSA-N 2 0 353.555 1.514 20 30 FDEDRP C[NH+]=C(NCCC1CC[NH+](C)CC1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261914626 672693115 /nfs/dbraw/zinc/69/31/15/672693115.db2.gz JQUHNOOFTUKIDW-UHFFFAOYSA-N 2 0 351.539 1.625 20 30 FDEDRP C[NH+]=C(NCc1nncn1C)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000262299226 672764977 /nfs/dbraw/zinc/76/49/77/672764977.db2.gz ABHZXAXKMXGOPB-XJKSGUPXSA-N 2 0 361.519 1.625 20 30 FDEDRP CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)NC1CC[NH+](C(C)C)CC1 ZINC000262411615 672785175 /nfs/dbraw/zinc/78/51/75/672785175.db2.gz PISNSFWULZSICN-HNNXBMFYSA-N 2 0 358.552 1.238 20 30 FDEDRP CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262441872 672790182 /nfs/dbraw/zinc/79/01/82/672790182.db2.gz UTEBBCQKCJYZHP-XYTVBORESA-N 2 0 370.563 1.382 20 30 FDEDRP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262830923 672852039 /nfs/dbraw/zinc/85/20/39/672852039.db2.gz ZYRGAXJQFUYPOH-ARFHVFGLSA-N 2 0 352.523 1.466 20 30 FDEDRP [NH2+]=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)N1CCSCC1 ZINC000303867600 676543296 /nfs/dbraw/zinc/54/32/96/676543296.db2.gz ABMSJEHREREZOI-UHFFFAOYSA-N 2 0 361.559 1.952 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(OCC(F)(F)F)c1 ZINC000303872672 676543317 /nfs/dbraw/zinc/54/33/17/676543317.db2.gz CEFGFQYBZXAKOI-CYBMUJFWSA-N 2 0 359.396 1.911 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000303909323 676544000 /nfs/dbraw/zinc/54/40/00/676544000.db2.gz YCQSBHCIXCFQRP-CABCVRRESA-N 2 0 353.511 1.632 20 30 FDEDRP CC(C)[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000330171954 676676492 /nfs/dbraw/zinc/67/64/92/676676492.db2.gz FYJHSZZBRVLPLW-QZTJIDSGSA-N 2 0 352.523 1.741 20 30 FDEDRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC([NH+](C)CCO)CC1 ZINC000331116250 676717283 /nfs/dbraw/zinc/71/72/83/676717283.db2.gz MDURCECJSSYXED-BBWFWOEESA-N 2 0 354.539 1.655 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275388263 771772931 /nfs/dbraw/zinc/77/29/31/771772931.db2.gz CHZRAGDHKYIINP-UHFFFAOYSA-N 2 0 358.486 1.496 20 30 FDEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nccn2C)C1 ZINC001104306056 774438607 /nfs/dbraw/zinc/43/86/07/774438607.db2.gz ITBDUGWFKQYPSB-KURKYZTESA-N 2 0 357.502 1.092 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656311084 774897777 /nfs/dbraw/zinc/89/77/77/774897777.db2.gz IWBOLPZLOSNLBR-QZTJIDSGSA-N 2 0 362.518 1.276 20 30 FDEDRP CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H]([NH+](C)C)C3)cn2)CC1 ZINC000328911169 779338169 /nfs/dbraw/zinc/33/81/69/779338169.db2.gz GEVNUTVPILDRQA-QGZVFWFLSA-N 2 0 360.506 1.273 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001026852853 800007081 /nfs/dbraw/zinc/00/70/81/800007081.db2.gz RFKDLLQRDGCQFL-SZVBFZGTSA-N 2 0 370.497 1.845 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(C#N)cc3F)C2)CC[N@@H+]1C ZINC001026853929 800030750 /nfs/dbraw/zinc/03/07/50/800030750.db2.gz VXLUCESZDWCZNU-UWWQBHOKSA-N 2 0 358.461 1.976 20 30 FDEDRP C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001112524404 801398669 /nfs/dbraw/zinc/39/86/69/801398669.db2.gz MIWFXCAINZNRJQ-NSHGMRRFSA-N 2 0 351.535 1.994 20 30 FDEDRP C=CC[C@@]1(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662817816 803478913 /nfs/dbraw/zinc/47/89/13/803478913.db2.gz XBDJECHXANGBIQ-NRFANRHFSA-N 3 0 356.514 1.794 20 30 FDEDRP C=CC[C@@H](CC)NC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419135367 809599573 /nfs/dbraw/zinc/59/95/73/809599573.db2.gz LGWFLCRPFGPGHP-GOSISDBHSA-N 2 0 372.513 1.567 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000664016343 810165238 /nfs/dbraw/zinc/16/52/38/810165238.db2.gz OAEJUWWXAFELKF-LJQANCHMSA-N 2 0 364.534 1.923 20 30 FDEDRP C[NH+]=C(NC[C@H](O)c1cc2ccccc2s1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000261751064 810704258 /nfs/dbraw/zinc/70/42/58/810704258.db2.gz LWTAGAFEYLBCLC-CVEARBPZSA-N 2 0 373.526 1.100 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C(F)(F)F ZINC001112124393 810775381 /nfs/dbraw/zinc/77/53/81/810775381.db2.gz HXNPCRJFPVEXCD-HZPDHXFCSA-N 2 0 368.403 1.910 20 30 FDEDRP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000262015763 811368835 /nfs/dbraw/zinc/36/88/35/811368835.db2.gz XRALZNWKAPZHNJ-MRXNPFEDSA-N 2 0 361.490 1.221 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C)C(C)C ZINC000419425893 811935283 /nfs/dbraw/zinc/93/52/83/811935283.db2.gz QFRPQMLLNXNJAH-IPMKNSEASA-N 2 0 366.550 1.782 20 30 FDEDRP C[NH+]=C(NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261957611 817672823 /nfs/dbraw/zinc/67/28/23/817672823.db2.gz JEPMQMZFLJTSIW-LISAXSMJSA-N 2 0 365.566 1.522 20 30 FDEDRP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2CC)C1=O ZINC001087711861 822164192 /nfs/dbraw/zinc/16/41/92/822164192.db2.gz BFHRVONDYLUHCW-KSZLIROESA-N 2 0 362.518 1.084 20 30 FDEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]2C1 ZINC001088136188 826601665 /nfs/dbraw/zinc/60/16/65/826601665.db2.gz ZSBDWVATMWAMQT-MJGOQNOKSA-N 2 0 359.518 1.805 20 30 FDEDRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cc(C#N)ccc4F)CC[C@@H]3C2)C1 ZINC001088199845 827432729 /nfs/dbraw/zinc/43/27/29/827432729.db2.gz FDCBHGZKCFXBHS-LMMKCTJWSA-N 2 0 370.472 1.929 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(C)C ZINC000729592916 830135209 /nfs/dbraw/zinc/13/52/09/830135209.db2.gz NXKOUWOLLOBFLO-GUDVDZBRSA-N 2 0 364.534 1.847 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)C(C)C ZINC000480513447 845374689 /nfs/dbraw/zinc/37/46/89/845374689.db2.gz CXUAOSUQKYDNQN-GBESFXJTSA-N 2 0 366.550 1.782 20 30 FDEDRP C=C(CNC(=O)[C@H]1CC[NH+]1C(C)(C)C)CNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000898986331 845579779 /nfs/dbraw/zinc/57/97/79/845579779.db2.gz ABKRXNBFBNYSNX-HZPDHXFCSA-N 2 0 364.534 1.521 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cncc(C)c4)C[C@H]32)CC1 ZINC001076604419 848552588 /nfs/dbraw/zinc/55/25/88/848552588.db2.gz DUAOMQJSAMJHKB-LEWJYISDSA-N 2 0 366.509 1.768 20 30 FDEDRP CC1([NH+]2CCC2)CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000905600476 852057683 /nfs/dbraw/zinc/05/76/83/852057683.db2.gz LECJQQZBYIZTMO-UHFFFAOYSA-N 2 0 362.499 1.724 20 30 FDEDRP CC(C)(C)NC(NCCCC[NH+]1CCN(c2ncccn2)CC1)=[NH+]C1CC1 ZINC000912506167 859831676 /nfs/dbraw/zinc/83/16/76/859831676.db2.gz JRCBAFPHTXSLFN-UHFFFAOYSA-N 2 0 373.549 1.875 20 30 FDEDRP C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](CCC)CC1 ZINC000669036787 860881238 /nfs/dbraw/zinc/88/12/38/860881238.db2.gz YTUYNXSNDYIHRW-SJORKVTESA-N 2 0 360.506 1.532 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CC1 ZINC000922878853 879596754 /nfs/dbraw/zinc/59/67/54/879596754.db2.gz YKRBOPDKAHFHRK-HKUYNNGSSA-N 2 0 355.486 1.471 20 30 FDEDRP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001034209915 883934986 /nfs/dbraw/zinc/93/49/86/883934986.db2.gz LLXPPSCADODKJQ-AQNXPRMDSA-N 2 0 361.530 1.727 20 30 FDEDRP C=C(C[NH+](C)C)C(=O)NCc1cc(NC(=O)C(=C)C[NH+](C)C)ccc1O ZINC000923121550 888061037 /nfs/dbraw/zinc/06/10/37/888061037.db2.gz YZOHTJQZSSBCIA-UHFFFAOYSA-N 2 0 360.458 1.183 20 30 FDEDRP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000923328712 888887694 /nfs/dbraw/zinc/88/76/94/888887694.db2.gz NECJVIIUEIXLIQ-BHIYHBOVSA-N 2 0 356.470 1.172 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001106907445 889052921 /nfs/dbraw/zinc/05/29/21/889052921.db2.gz LSVPFHINDWEGAS-IXDOHACOSA-N 2 0 352.523 1.093 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCCCCC3)C[C@@H]2O)CC1 ZINC001084090183 913371037 /nfs/dbraw/zinc/37/10/37/913371037.db2.gz OEIUVBHYDZMCIB-UXHICEINSA-N 2 0 361.530 1.463 20 30 FDEDRP C#Cc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)c1 ZINC001127701650 893796178 /nfs/dbraw/zinc/79/61/78/893796178.db2.gz TXOCJXJWMMFGMY-ZWKOTPCHSA-N 2 0 356.470 1.043 20 30 FDEDRP CC#CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001128107554 896967225 /nfs/dbraw/zinc/96/72/25/896967225.db2.gz UHTVXZHQVJOUOS-BHIYHBOVSA-N 2 0 369.513 1.230 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCC3CCCC3)C[C@H]2O)CC1 ZINC001078228315 898432654 /nfs/dbraw/zinc/43/26/54/898432654.db2.gz LTOHTRPCBSTKIY-WOJBJXKFSA-N 2 0 361.530 1.463 20 30 FDEDRP C=CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079146991 901970501 /nfs/dbraw/zinc/97/05/01/901970501.db2.gz RAIGVYQHHXLKPI-VAMGGRTRSA-N 2 0 357.498 1.588 20 30 FDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001079240739 902190521 /nfs/dbraw/zinc/19/05/21/902190521.db2.gz ARKSXXLCQNZEFM-GBESFXJTSA-N 2 0 361.530 1.985 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@H]2C)CC1 ZINC001080997764 906972391 /nfs/dbraw/zinc/97/23/91/906972391.db2.gz KHRWKONYBPJZBX-CRAIPNDOSA-N 2 0 360.527 1.467 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000921535238 907651824 /nfs/dbraw/zinc/65/18/24/907651824.db2.gz ZWFTXZJYQWIANA-MOPGFXCFSA-N 2 0 362.518 1.151 20 30 FDEDRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082863076 910528346 /nfs/dbraw/zinc/52/83/46/910528346.db2.gz JNVHCQJTBKVSDY-RDTXWAMCSA-N 2 0 356.445 1.730 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nccn3CC)C2)CC1 ZINC001082941448 911017013 /nfs/dbraw/zinc/01/70/13/911017013.db2.gz PYQNMSMDWAYPRN-SJLPKXTDSA-N 2 0 357.502 1.185 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](C[C@H]4CCCOC4)C[C@H]32)CC1 ZINC001084851076 917658686 /nfs/dbraw/zinc/65/86/86/917658686.db2.gz MAVBCTDRDYBJDA-MISYRCLQSA-N 2 0 359.514 1.291 20 30 FDEDRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccc(C#N)cc4)[C@H]3C2)C1 ZINC001085092752 920805277 /nfs/dbraw/zinc/80/52/77/920805277.db2.gz OZNNVWSIAZVTDO-AABGKKOBSA-N 2 0 352.482 1.933 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](C[C@@H]4CCOC4)[C@H]3C2)CC1 ZINC001085100585 920914464 /nfs/dbraw/zinc/91/44/64/920914464.db2.gz OYESSROOVSGBAB-NSHGMRRFSA-N 2 0 359.514 1.291 20 30 FDEDRP C#CCC[NH+]1CCC(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000743490528 926378499 /nfs/dbraw/zinc/37/84/99/926378499.db2.gz RDVJXLTWRJPFAU-UHFFFAOYSA-N 2 0 368.525 1.652 20 30 FDEDRP N#CC1(c2cccnc2-n2nnnc2C[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001168918723 928183742 /nfs/dbraw/zinc/18/37/42/928183742.db2.gz KROSKFMWVXFEGW-UHFFFAOYSA-N 2 0 374.452 1.573 20 30 FDEDRP C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169131226 928288197 /nfs/dbraw/zinc/28/81/97/928288197.db2.gz RYSWYYKRUJAKQX-PXCRPINLSA-N 2 0 360.546 1.795 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130704149 939984820 /nfs/dbraw/zinc/98/48/20/939984820.db2.gz HCIBUWCMDCTDOL-AZUAARDMSA-N 2 0 371.529 1.448 20 30 FDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130736996 940038360 /nfs/dbraw/zinc/03/83/60/940038360.db2.gz SYRCHAQPXJXQJI-ZIFCJYIRSA-N 2 0 361.534 1.999 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130731775 940045275 /nfs/dbraw/zinc/04/52/75/940045275.db2.gz ORWATXPDYCHMTN-PKOBYXMFSA-N 2 0 357.502 1.203 20 30 FDEDRP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[NH+](CC)CC)n2)O1 ZINC001130811899 940205585 /nfs/dbraw/zinc/20/55/85/940205585.db2.gz QWYXZDCOSCZGEY-LSDHHAIUSA-N 2 0 364.494 1.149 20 30 FDEDRP C#CCC[NH+]1CCC(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000747404786 940413192 /nfs/dbraw/zinc/41/31/92/940413192.db2.gz QGFDIUQBJRFFLJ-UHFFFAOYSA-N 2 0 368.525 1.652 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1c1cncn1C ZINC001131073535 940483376 /nfs/dbraw/zinc/48/33/76/940483376.db2.gz GFTRJSRPYVLWMP-KZNAEPCWSA-N 2 0 359.518 1.448 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1c1cncn1C ZINC001131072347 940485251 /nfs/dbraw/zinc/48/52/51/940485251.db2.gz UGBRVNTXDJYNGJ-IAGOWNOFSA-N 2 0 361.534 1.858 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131132359 940512449 /nfs/dbraw/zinc/51/24/49/940512449.db2.gz GTZXVSCZTPRFJR-GGPKGHCWSA-N 2 0 371.529 1.448 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131132834 940512759 /nfs/dbraw/zinc/51/27/59/940512759.db2.gz UFRKQIALKLDJII-RTBURBONSA-N 2 0 371.529 1.594 20 30 FDEDRP C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131564957 940740895 /nfs/dbraw/zinc/74/08/95/940740895.db2.gz ZWRLCEMMHGMOEZ-MJGOQNOKSA-N 2 0 353.507 1.126 20 30 FDEDRP C#CCC[NH+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)c2)C1 ZINC001091400429 951572454 /nfs/dbraw/zinc/57/24/54/951572454.db2.gz JAWUOOQPAILCBV-NSISKUIASA-N 2 0 370.497 1.514 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cncs3)C2)CC1 ZINC001086882486 952914173 /nfs/dbraw/zinc/91/41/73/952914173.db2.gz SPEDOVRTVKUTMK-DOTOQJQBSA-N 2 0 360.527 1.863 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C)on3)C2)CC1 ZINC001086882556 952914431 /nfs/dbraw/zinc/91/44/31/952914431.db2.gz XAPOVIUQYXRVOH-FUHWJXTLSA-N 2 0 358.486 1.703 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1c1cnn(C)c1 ZINC001086980782 953031163 /nfs/dbraw/zinc/03/11/63/953031163.db2.gz VILKJNMBGCAUPV-INDMIFKZSA-N 2 0 359.518 1.611 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1c1cnn(C)c1 ZINC001086981708 953033600 /nfs/dbraw/zinc/03/36/00/953033600.db2.gz YYYWYVIFHZIISP-OTWHNJEPSA-N 2 0 359.518 1.755 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1c1cnn(C)c1 ZINC001087005063 953063664 /nfs/dbraw/zinc/06/36/64/953063664.db2.gz KFVWSAWTZQZXKI-VQTJNVASSA-N 2 0 369.513 1.059 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](C[C@@H](CC)OC)C[C@@]3(C)C2)CC1 ZINC001092299775 954747729 /nfs/dbraw/zinc/74/77/29/954747729.db2.gz HUIARXWOTJWYHD-SBHAEUEKSA-N 2 0 361.530 1.537 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133201 957617997 /nfs/dbraw/zinc/61/79/97/957617997.db2.gz VWURIWNJLFTGIQ-CRAIPNDOSA-N 2 0 370.472 1.977 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3cnoc3C)[C@H](C)C2)CC1 ZINC001094239984 960158005 /nfs/dbraw/zinc/15/80/05/960158005.db2.gz LSTOMEKBVNWQAJ-DNVCBOLYSA-N 2 0 358.486 1.512 20 30 FDEDRP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)C2 ZINC001172242446 961589232 /nfs/dbraw/zinc/58/92/32/961589232.db2.gz CBOKBGIQCKAHCW-LJQANCHMSA-N 2 0 359.514 1.982 20 30 FDEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001183043695 962756039 /nfs/dbraw/zinc/75/60/39/962756039.db2.gz VYKQIZMOSYOFRZ-PMACEKPBSA-N 2 0 370.497 1.535 20 30 FDEDRP C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000852873552 967681355 /nfs/dbraw/zinc/68/13/55/967681355.db2.gz YMDOHEUWAUKJPQ-MRXNPFEDSA-N 2 0 372.488 1.758 20 30 FDEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001192446169 969131228 /nfs/dbraw/zinc/13/12/28/969131228.db2.gz XGTPOBMWTFTIQZ-HBMCJLEFSA-N 2 0 369.509 1.514 20 30 FDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CCCO1 ZINC001200529149 974808967 /nfs/dbraw/zinc/80/89/67/974808967.db2.gz RMZGURCTQRIDAB-OTWHNJEPSA-N 2 0 365.518 1.126 20 30 FDEDRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000867959430 977142784 /nfs/dbraw/zinc/14/27/84/977142784.db2.gz ZFQKWXWYVLBIQP-AZUAARDMSA-N 2 0 370.497 1.704 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000849075414 977304272 /nfs/dbraw/zinc/30/42/72/977304272.db2.gz CXBOJLOIHZDCAL-OAQYLSRUSA-N 2 0 373.545 1.396 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(c2ncc(C#N)cc2Br)C[C@H]1C[NH+](C)C ZINC000882679165 980822959 /nfs/dbraw/zinc/82/29/59/980822959.db2.gz RCMMBXCTBCQJSE-ZIAGYGMSSA-N 2 0 366.307 1.891 20 30 FDEDRP C#CCN(C)CCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000883131232 981968824 /nfs/dbraw/zinc/96/88/24/981968824.db2.gz QKQQNCFDFKAACC-UHFFFAOYSA-N 2 0 374.304 1.141 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CCC(CCC[N@@H+](C)CCOC)CC2)CC1 ZINC000131112062 981982635 /nfs/dbraw/zinc/98/26/35/981982635.db2.gz ABLIKNFLVOZXOI-UHFFFAOYSA-N 2 0 363.546 1.929 20 30 FDEDRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@H](C)C1 ZINC000884221215 982995018 /nfs/dbraw/zinc/99/50/18/982995018.db2.gz MNBFWYUTLXZFMJ-BCOABZSFSA-N 2 0 362.518 1.379 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884314375 983076103 /nfs/dbraw/zinc/07/61/03/983076103.db2.gz HSRMXCDFSXOEBM-FAIWXJIUSA-N 2 0 352.482 1.762 20 30 FDEDRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884406164 983141137 /nfs/dbraw/zinc/14/11/37/983141137.db2.gz NHWZIDQIKCQLRL-FGNUKQJGSA-N 2 0 366.509 1.901 20 30 FDEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001110799173 983711233 /nfs/dbraw/zinc/71/12/33/983711233.db2.gz CCJFTQVFNHPHTK-QRQLOZEOSA-N 2 0 367.453 1.805 20 30 FDEDRP C#CCN(C(=O)[C@@H]1CCN1Cc1ccc(OC)cc1)C1CC[NH+](C)CC1 ZINC000886573593 986372186 /nfs/dbraw/zinc/37/21/86/986372186.db2.gz OHGJPHNSRSPLNA-FQEVSTJZSA-N 2 0 355.482 1.826 20 30 FDEDRP C=CCc1cc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc(OC)c1O ZINC000872254947 987546580 /nfs/dbraw/zinc/54/65/80/987546580.db2.gz GQMDRMOTXQIPML-NUJGCVRESA-N 2 0 373.453 1.496 20 30 FDEDRP CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000362308611 988630321 /nfs/dbraw/zinc/63/03/21/988630321.db2.gz GDGDJPHVKMWSMM-WCIQWLHISA-N 2 0 373.545 1.095 20 30 FDEDRP C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CCN1C1CC[NH+](C)CC1 ZINC000362639470 988693560 /nfs/dbraw/zinc/69/35/60/988693560.db2.gz KOUOZMGRELNGMI-QGZVFWFLSA-N 2 0 369.513 1.987 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000369395897 989050585 /nfs/dbraw/zinc/05/05/85/989050585.db2.gz RGNKZZZVNZSHOT-IBGZPJMESA-N 2 0 363.550 1.448 20 30 FDEDRP N#CC[C@@H]1CC[C@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000296489512 989240312 /nfs/dbraw/zinc/24/03/12/989240312.db2.gz XYYIRZKTTSRPHN-ROUUACIJSA-N 2 0 370.501 1.975 20 30 FDEDRP C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(OCC#N)cc1 ZINC000371508492 990488921 /nfs/dbraw/zinc/48/89/21/990488921.db2.gz JUKMDHXWLOTZMY-IEBWSBKVSA-N 2 0 358.486 1.646 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000875246224 991185592 /nfs/dbraw/zinc/18/55/92/991185592.db2.gz AVABKPRMFBQLIW-IAGOWNOFSA-N 3 0 351.539 1.018 20 30 FDEDRP C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875555435 991731497 /nfs/dbraw/zinc/73/14/97/991731497.db2.gz SRSGFERLPGQRJA-MLHJIOFPSA-N 2 0 352.523 1.348 20 30 FDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000876922384 992968816 /nfs/dbraw/zinc/96/88/16/992968816.db2.gz XNVMGTZVSSDITI-INIZCTEOSA-N 3 0 350.894 1.566 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000876925213 992970256 /nfs/dbraw/zinc/97/02/56/992970256.db2.gz XGJZEYIZZPORLI-DFQSSKMNSA-N 2 0 364.424 1.837 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000876946064 992977702 /nfs/dbraw/zinc/97/77/02/992977702.db2.gz FRRLEMNGZIMYNG-XEYPJELSSA-N 2 0 368.481 1.490 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC000127860126 995050570 /nfs/dbraw/zinc/05/05/70/995050570.db2.gz XMUQWGZTIWTLTF-RTBURBONSA-N 2 0 360.546 1.349 20 30 FDEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000264076325 997396608 /nfs/dbraw/zinc/39/66/08/997396608.db2.gz FSZSSZYAZWBCNZ-IAGOWNOFSA-N 2 0 359.522 1.281 20 30 FDEDRP Cc1cccc(N2CC[NH+](CCCCNC(=[NH2+])N3CCOCC3)CC2)c1 ZINC000264115377 997405390 /nfs/dbraw/zinc/40/53/90/997405390.db2.gz SHTIWKXSTYUPOV-UHFFFAOYSA-N 2 0 359.518 1.544 20 30 FDEDRP COc1ccccc1CNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000285070070 999900168 /nfs/dbraw/zinc/90/01/68/999900168.db2.gz MOPPVDMKCRPEID-QFBILLFUSA-N 2 0 370.501 1.916 20 30 FDEDRP C#Cc1ccc(NC(=O)CC[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000929979495 1002694491 /nfs/dbraw/zinc/69/44/91/1002694491.db2.gz FICLDNRBHBQCCV-HXUWFJFHSA-N 2 0 354.498 1.708 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000550784023 543173721 /nfs/dbraw/zinc/17/37/21/543173721.db2.gz OPJZDMCICUVMKL-QGZVFWFLSA-N 2 0 364.534 1.381 20 30 FDEDRP COC(=O)CC1CC[NH+](CC#CC[NH+]2CCC(CC(=O)OC)CC2)CC1 ZINC000551382350 543278031 /nfs/dbraw/zinc/27/80/31/543278031.db2.gz UPOPUWUIHMIBJS-UHFFFAOYSA-N 2 0 364.486 1.540 20 30 FDEDRP COC(=O)[C@]1(C)C[NH+](CC#CC[N@@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)C[C@H]1C ZINC000551447281 543286486 /nfs/dbraw/zinc/28/64/86/543286486.db2.gz GUJZBBGPLLHCOP-XNFNUYLZSA-N 2 0 364.486 1.252 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(F)cc1C#N ZINC000156082139 173573308 /nfs/dbraw/zinc/57/33/08/173573308.db2.gz GHMZWRFITBDNOH-UHFFFAOYSA-N 2 0 370.494 1.591 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]([NH+](CC)CC)C2)CC1 ZINC000553672114 543678359 /nfs/dbraw/zinc/67/83/59/543678359.db2.gz LSECXNPLFFHBDD-QGZVFWFLSA-N 2 0 350.507 1.086 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(C#N)cc1F ZINC000151003795 524514796 /nfs/dbraw/zinc/51/47/96/524514796.db2.gz HDDUXJMUINTRII-UHFFFAOYSA-N 2 0 370.494 1.591 20 30 FDEDRP [NH2+]=C(NCCCN1CCOCC1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000104181724 525398128 /nfs/dbraw/zinc/39/81/28/525398128.db2.gz FURVJXFUEMTHMP-FQEVSTJZSA-N 2 0 373.545 1.178 20 30 FDEDRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)CC1 ZINC000118834535 525555066 /nfs/dbraw/zinc/55/50/66/525555066.db2.gz XFUNQKHKUQHMAC-GOSISDBHSA-N 2 0 355.486 1.599 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(CS(C)(=O)=O)c1 ZINC000170912447 525768442 /nfs/dbraw/zinc/76/84/42/525768442.db2.gz IMKYAXOWBZZMBH-MRXNPFEDSA-N 2 0 352.504 1.120 20 30 FDEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000130572362 525771329 /nfs/dbraw/zinc/77/13/29/525771329.db2.gz WCYGLYMDTQJYTC-UHFFFAOYSA-N 2 0 365.865 1.102 20 30 FDEDRP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000171656942 526061650 /nfs/dbraw/zinc/06/16/50/526061650.db2.gz JRHKXMPZNRCZRY-INIZCTEOSA-N 2 0 352.523 1.189 20 30 FDEDRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182965667 535896273 /nfs/dbraw/zinc/89/62/73/535896273.db2.gz WIWVVPGRQAVZHP-FQEVSTJZSA-N 2 0 369.513 1.623 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000264149483 537138629 /nfs/dbraw/zinc/13/86/29/537138629.db2.gz YTMWOLTZQWGWEX-GFCCVEGCSA-N 2 0 369.395 1.637 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C)C(C)C ZINC000236690865 537597443 /nfs/dbraw/zinc/59/74/43/537597443.db2.gz XTCPQUHRTSIELW-GOSISDBHSA-N 2 0 374.533 1.939 20 30 FDEDRP CC(C)[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)N1CC[NH+](C)CC1 ZINC000304511184 537598432 /nfs/dbraw/zinc/59/84/32/537598432.db2.gz WYZIHIQMFJARHI-ZWKOTPCHSA-N 2 0 359.518 1.687 20 30 FDEDRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000564851875 547067484 /nfs/dbraw/zinc/06/74/84/547067484.db2.gz RIUNNRRJOYJKAM-OAQYLSRUSA-N 2 0 364.493 1.923 20 30 FDEDRP CC(C)[C@H](C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)N1CC[NH+](C)CC1 ZINC000568501755 548562615 /nfs/dbraw/zinc/56/26/15/548562615.db2.gz BUMBYZCVMHQFRX-QUCCMNQESA-N 2 0 360.502 1.160 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)CC2)c1 ZINC000593721563 552182346 /nfs/dbraw/zinc/18/23/46/552182346.db2.gz PQKXMPRRJDWSGK-ICSRJNTNSA-N 2 0 367.497 1.916 20 30 FDEDRP C[C@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[C@H]1[NH3+] ZINC000593722997 552182669 /nfs/dbraw/zinc/18/26/69/552182669.db2.gz ZGROQCSAVIPWQM-HNAYVOBHSA-N 2 0 355.486 1.901 20 30 FDEDRP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000594437884 552309800 /nfs/dbraw/zinc/30/98/00/552309800.db2.gz LJEDHOXWLZDNQB-AEFFLSMTSA-N 2 0 371.485 1.734 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H](C[NH3+])C(F)(F)F)CC2)c1 ZINC000594524950 552327539 /nfs/dbraw/zinc/32/75/39/552327539.db2.gz NWQSMHTTZIOBMI-OAHLLOKOSA-N 2 0 369.391 1.711 20 30 FDEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)C1 ZINC000595641131 552596063 /nfs/dbraw/zinc/59/60/63/552596063.db2.gz BSTBJIVYAANDPE-LJQANCHMSA-N 2 0 372.513 1.856 20 30 FDEDRP C[NH2+]CCOCCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000599922609 553174942 /nfs/dbraw/zinc/17/49/42/553174942.db2.gz MVRRYBFLHNOSAA-UHFFFAOYSA-N 2 0 359.474 1.058 20 30 FDEDRP CC(C)[C@H](C[NH2+]C[C@@H](O)COc1ccccc1C#N)N1CC[NH+](C)CC1 ZINC000600724266 553307572 /nfs/dbraw/zinc/30/75/72/553307572.db2.gz GOTAZFFUMCBHKH-MOPGFXCFSA-N 2 0 360.502 1.160 20 30 FDEDRP C=C(CNC(=O)CC1CC[NH+](C)CC1)CNC(=O)CC1CC[NH+](C)CC1 ZINC000620748109 555978722 /nfs/dbraw/zinc/97/87/22/555978722.db2.gz LTFLXRFYZBBRDL-UHFFFAOYSA-N 2 0 364.534 1.239 20 30 FDEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000104179695 671595044 /nfs/dbraw/zinc/59/50/44/671595044.db2.gz VMGOIJVRFICIGP-HNNXBMFYSA-N 2 0 353.511 1.586 20 30 FDEDRP C[NH+]=C(NCC[NH+]1CCCC1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000179211279 672156030 /nfs/dbraw/zinc/15/60/30/672156030.db2.gz MBQQIBSMFSODOQ-AWEZNQCLSA-N 2 0 350.898 1.575 20 30 FDEDRP C[NH+]=C(NCc1ccc(N2CC[NH+](C)CC2)nc1)NC[C@@H]1CCCS1 ZINC000262000347 672709248 /nfs/dbraw/zinc/70/92/48/672709248.db2.gz UFBMPZKJZOLDHM-INIZCTEOSA-N 2 0 362.547 1.394 20 30 FDEDRP C[NH+]=C(NCCN1CCSCC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000262802244 672850618 /nfs/dbraw/zinc/85/06/18/672850618.db2.gz RLGGONJRIZPGPO-QGZVFWFLSA-N 2 0 353.580 1.418 20 30 FDEDRP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000303872568 676543305 /nfs/dbraw/zinc/54/33/05/676543305.db2.gz CBTJHHDDIVFNBJ-AWEZNQCLSA-N 2 0 351.495 1.338 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000304750307 676544320 /nfs/dbraw/zinc/54/43/20/676544320.db2.gz IGGBUDXKVVKEFI-GJZGRUSLSA-N 2 0 355.527 1.924 20 30 FDEDRP O=C(CN1CCOCC2(CCOCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000329569047 676644508 /nfs/dbraw/zinc/64/45/08/676644508.db2.gz PRQUYFILXIDCCC-UHFFFAOYSA-N 2 0 351.491 1.699 20 30 FDEDRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329978940 676666742 /nfs/dbraw/zinc/66/67/42/676666742.db2.gz INZNSYKXKJHHTQ-IAGOWNOFSA-N 2 0 351.539 1.533 20 30 FDEDRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000330216669 676679231 /nfs/dbraw/zinc/67/92/31/676679231.db2.gz HYGWMYMNOPBJJF-CGTJXYLNSA-N 2 0 352.523 1.552 20 30 FDEDRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000330221765 676679621 /nfs/dbraw/zinc/67/96/21/676679621.db2.gz LYENZWQHQRMNGT-JQHSSLGASA-N 2 0 352.523 1.552 20 30 FDEDRP C[NH+](C)CC1CCC(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000331304468 676726506 /nfs/dbraw/zinc/72/65/06/676726506.db2.gz QYOYCFNKNGXRMS-UHFFFAOYSA-N 2 0 353.555 1.636 20 30 FDEDRP CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000409591211 678865348 /nfs/dbraw/zinc/86/53/48/678865348.db2.gz IYMRUCQABVTCSQ-IRXDYDNUSA-N 2 0 373.567 1.061 20 30 FDEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001104264829 772581362 /nfs/dbraw/zinc/58/13/62/772581362.db2.gz GWVLMGNKJWHMGG-KZNAEPCWSA-N 2 0 364.534 1.237 20 30 FDEDRP C[NH+]=C(NCc1ccnc(N2CC[NH+](C)CC2)c1)N1CC[C@]2(CCOC2)C1 ZINC000261984832 780055563 /nfs/dbraw/zinc/05/55/63/780055563.db2.gz PTKOYFGRIYHTMZ-FQEVSTJZSA-N 2 0 372.517 1.021 20 30 FDEDRP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001024445937 784674643 /nfs/dbraw/zinc/67/46/43/784674643.db2.gz YJFKBPSJOBOALJ-AQNXPRMDSA-N 2 0 361.530 1.727 20 30 FDEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001104782349 793631061 /nfs/dbraw/zinc/63/10/61/793631061.db2.gz WLFOENPIKNQCEJ-GDBMZVCRSA-N 2 0 367.925 1.885 20 30 FDEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001104847003 794041317 /nfs/dbraw/zinc/04/13/17/794041317.db2.gz OHYIWKFICJMCNV-GDBMZVCRSA-N 2 0 357.926 1.924 20 30 FDEDRP C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105008182 794893624 /nfs/dbraw/zinc/89/36/24/794893624.db2.gz TUGQSRKCSHQDPC-YUELXQCFSA-N 2 0 358.324 1.921 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ncccn3)C2)CC1 ZINC001105062142 795106324 /nfs/dbraw/zinc/10/63/24/795106324.db2.gz BRUCTRUGVVPVSN-IEBWSBKVSA-N 2 0 369.513 1.396 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C[C@H](CC)OC)C2)CC1 ZINC001105062486 795107875 /nfs/dbraw/zinc/10/78/75/795107875.db2.gz TXNZVJDGKXXULF-RLLQIKCJSA-N 2 0 363.546 1.831 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)C(C)C ZINC000662380732 806505536 /nfs/dbraw/zinc/50/55/36/806505536.db2.gz PCUSROCFYLWPGA-QGZVFWFLSA-N 2 0 360.506 1.631 20 30 FDEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000424139825 815316402 /nfs/dbraw/zinc/31/64/02/815316402.db2.gz FMWQROCZYPVWJB-QGZVFWFLSA-N 2 0 357.458 1.472 20 30 FDEDRP C[NH+]=C(NCc1cccnc1-n1ccnc1)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262017950 811368507 /nfs/dbraw/zinc/36/85/07/811368507.db2.gz YEZWCLLSJLOPGT-YOEHRIQHSA-N 2 0 353.474 1.415 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])C(C)C ZINC000419572121 812026675 /nfs/dbraw/zinc/02/66/75/812026675.db2.gz QFMRDNQCVZRZLB-KZNAEPCWSA-N 2 0 364.534 1.387 20 30 FDEDRP CC[NH+](CC)CCOC1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000517742393 817557069 /nfs/dbraw/zinc/55/70/69/817557069.db2.gz CZVQFYLFTAHJFW-UHFFFAOYSA-N 2 0 356.474 1.924 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)c3)[C@@H]2CC)CC1 ZINC001087840303 822559682 /nfs/dbraw/zinc/55/96/82/822559682.db2.gz QOBPAJVJBCBHMV-RBUKOAKNSA-N 2 0 357.502 1.234 20 30 FDEDRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3C#N)CC[C@@H]2C1 ZINC001087909066 823753540 /nfs/dbraw/zinc/75/35/40/823753540.db2.gz XGBJCABXILZLQU-AABGKKOBSA-N 2 0 352.482 1.933 20 30 FDEDRP CC[NH+]=C(NCCN1CCOCC1(C)C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262455628 826997986 /nfs/dbraw/zinc/99/79/86/826997986.db2.gz KZJIYRFOKGWCMZ-GOSISDBHSA-N 2 0 365.566 1.623 20 30 FDEDRP C[C@@H]1CN(CC#CCN2CC[NH+](C3CC3)C[C@@H](C)C2)CC[N@@H+](C2CC2)C1 ZINC000451095532 830249109 /nfs/dbraw/zinc/24/91/09/830249109.db2.gz STZVIXOLBKDWNK-BGYRXZFFSA-N 2 0 358.574 1.822 20 30 FDEDRP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)NC[C@]1(C)CCCC[C@@H]1O ZINC000262777842 831381130 /nfs/dbraw/zinc/38/11/30/831381130.db2.gz JYSGQSJMJPSVCO-HKUYNNGSSA-N 2 0 366.550 1.738 20 30 FDEDRP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262784035 831425165 /nfs/dbraw/zinc/42/51/65/831425165.db2.gz LVWANQQKPUNTOG-SFHVURJKSA-N 3 0 361.534 1.153 20 30 FDEDRP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001088494147 831772867 /nfs/dbraw/zinc/77/28/67/831772867.db2.gz NTXMAYDHNMOALE-AYOQOUSVSA-N 2 0 356.470 1.762 20 30 FDEDRP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001088571527 834839168 /nfs/dbraw/zinc/83/91/68/834839168.db2.gz DHNGYMFJPUWCQL-YSGRDPCXSA-N 2 0 352.482 1.979 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[N@@H+](C)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105666539 843201322 /nfs/dbraw/zinc/20/13/22/843201322.db2.gz GQNXJZNZJZZQMW-IZBJGVDFSA-N 2 0 351.535 1.870 20 30 FDEDRP C=CC[NH+]1CCC(NC(NCCc2nnc3ccccn32)=[NH+]C2CC2)CC1 ZINC000899892588 846845476 /nfs/dbraw/zinc/84/54/76/846845476.db2.gz CWEXNGDKSXQLLU-UHFFFAOYSA-N 2 0 367.501 1.620 20 30 FDEDRP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21)[NH+](C)C ZINC001076253607 847704031 /nfs/dbraw/zinc/70/40/31/847704031.db2.gz OABKHNVVSHWXMU-YSIASYRMSA-N 2 0 370.497 1.962 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000668835733 857453372 /nfs/dbraw/zinc/45/33/72/857453372.db2.gz ISROOENMOALMPU-QGZVFWFLSA-N 2 0 364.534 1.380 20 30 FDEDRP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000669032527 860838461 /nfs/dbraw/zinc/83/84/61/860838461.db2.gz NANOLIRGHNBJQT-MSOLQXFVSA-N 2 0 374.533 1.920 20 30 FDEDRP N#Cc1cc(Br)ccc1-c1noc(CC2([NH3+])CC[NH2+]CC2)n1 ZINC001212168808 863381332 /nfs/dbraw/zinc/38/13/32/863381332.db2.gz LECDFECTBIUINU-UHFFFAOYSA-N 2 0 362.231 1.994 20 30 FDEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001106357738 874895775 /nfs/dbraw/zinc/89/57/75/874895775.db2.gz MGKFSGKLRQGRKU-KZNAEPCWSA-N 2 0 364.534 1.093 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000917137576 883111254 /nfs/dbraw/zinc/11/12/54/883111254.db2.gz RUEOBQRYLONAGP-SOAMZJECSA-N 2 0 364.534 1.416 20 30 FDEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)CC2 ZINC001035803592 886491470 /nfs/dbraw/zinc/49/14/70/886491470.db2.gz PEDXLFACVZDIRC-UXHICEINSA-N 2 0 351.494 1.889 20 30 FDEDRP C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001106907987 889216431 /nfs/dbraw/zinc/21/64/31/889216431.db2.gz KXXVSEDVSSLNBY-QZTJIDSGSA-N 2 0 364.534 1.213 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCc3ccc(C)cc3)C[C@@H]2O)CC1 ZINC001084090168 913372624 /nfs/dbraw/zinc/37/26/24/913372624.db2.gz NIQPERYYXMGSLM-RTWAWAEBSA-N 2 0 369.509 1.044 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000672357401 893197920 /nfs/dbraw/zinc/19/79/20/893197920.db2.gz ZQMRMOUJDLOAHO-SFHVURJKSA-N 2 0 362.518 1.230 20 30 FDEDRP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#CCOC)CC2 ZINC001107424285 904832041 /nfs/dbraw/zinc/83/20/41/904832041.db2.gz GKAWWOFOZDRQLA-QWFCFKBJSA-N 2 0 367.509 1.677 20 30 FDEDRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C)cc1C#N ZINC001082448536 907812576 /nfs/dbraw/zinc/81/25/76/907812576.db2.gz UPONOOKMSDDPRU-OLMNPRSZSA-N 2 0 356.470 1.598 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001082741825 909941707 /nfs/dbraw/zinc/94/17/07/909941707.db2.gz DUHKZXKRTHMHIC-GPMSIDNRSA-N 2 0 370.497 1.845 20 30 FDEDRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)cc1C#N ZINC001082920140 910889975 /nfs/dbraw/zinc/88/99/75/910889975.db2.gz RPWMBIWWDADTSH-QGPMSJSTSA-N 2 0 356.470 1.455 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC4CCOCC4)C[C@H]32)CC1 ZINC001084850006 917692051 /nfs/dbraw/zinc/69/20/51/917692051.db2.gz DXUGDNONGQPESN-WOJBJXKFSA-N 2 0 359.514 1.291 20 30 FDEDRP C=CCOCC[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001098371181 923567669 /nfs/dbraw/zinc/56/76/69/923567669.db2.gz KDMKPRNWGZNRKA-RBUKOAKNSA-N 2 0 367.534 1.205 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC[C@H]2CCOC2)CC1 ZINC001085432865 924680055 /nfs/dbraw/zinc/68/00/55/924680055.db2.gz UFEOEXOVKLBBGS-DFQSSKMNSA-N 2 0 361.530 1.775 20 30 FDEDRP C[NH+]1CCN(c2ccc(C[NH2+]CCNC(=O)C3N=CC=CC3=O)cc2)CC1 ZINC000771840497 930914097 /nfs/dbraw/zinc/91/40/97/930914097.db2.gz BJSYKLPFGOKSFM-VXPUYCOJSA-N 2 0 369.469 1.054 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001129878936 938536240 /nfs/dbraw/zinc/53/62/40/938536240.db2.gz LNIFWAKKWRQBBY-ZACQAIPSSA-N 2 0 366.485 1.266 20 30 FDEDRP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129910259 938549690 /nfs/dbraw/zinc/54/96/90/938549690.db2.gz LDBPQBOAEJFZHK-KURKYZTESA-N 2 0 364.538 1.930 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130602594 939914235 /nfs/dbraw/zinc/91/42/35/939914235.db2.gz JSSDAQXRZDVMBJ-XYJFISCASA-N 2 0 365.497 1.560 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130639907 939942030 /nfs/dbraw/zinc/94/20/30/939942030.db2.gz RBKZCAFRDSPHOB-FUHWJXTLSA-N 2 0 359.518 1.755 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130652050 939946240 /nfs/dbraw/zinc/94/62/40/939946240.db2.gz CYDPJJGIVNOVOR-LSTDLKDCSA-N 2 0 357.502 1.058 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1c1cn(C)cn1 ZINC001130678417 939968101 /nfs/dbraw/zinc/96/81/01/939968101.db2.gz ZVSUHTRVZHNEFV-FUHWJXTLSA-N 2 0 357.502 1.059 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cn(C)cn1 ZINC001130712887 939999943 /nfs/dbraw/zinc/99/99/43/939999943.db2.gz QLYTUYCFVOLGEH-FUHWJXTLSA-N 2 0 357.502 1.366 20 30 FDEDRP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](CC)[NH+](C)C)n2)O1 ZINC001130790062 940160980 /nfs/dbraw/zinc/16/09/80/940160980.db2.gz GCRWSIJDWZZARR-RRFJBIMHSA-N 2 0 364.494 1.147 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001130989060 940411190 /nfs/dbraw/zinc/41/11/90/940411190.db2.gz UDXYCIOEVPPGGF-KURKYZTESA-N 2 0 357.502 1.200 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1c1cncn1C ZINC001131025965 940459391 /nfs/dbraw/zinc/45/93/91/940459391.db2.gz MJUSQSHMPLTZBG-QZTJIDSGSA-N 2 0 362.437 1.289 20 30 FDEDRP C#CC[N@H+](C)CCCNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000818595752 943326906 /nfs/dbraw/zinc/32/69/06/943326906.db2.gz MNFRHTMHDPLBNU-UHFFFAOYSA-N 2 0 357.498 1.576 20 30 FDEDRP C=CCc1cc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc(OC)c1OC ZINC000818987918 943374275 /nfs/dbraw/zinc/37/42/75/943374275.db2.gz AYGXZJHNWVSGEH-SFHVURJKSA-N 2 0 363.502 1.130 20 30 FDEDRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCC(=O)N(C)CCC#N)C2)ccn1 ZINC000856585213 971236128 /nfs/dbraw/zinc/23/61/28/971236128.db2.gz AZLHZUGHPGYIPL-LJQANCHMSA-N 2 0 373.501 1.749 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3cccn3)C2)CC1 ZINC001086882128 952913376 /nfs/dbraw/zinc/91/33/76/952913376.db2.gz BISZADXOMPSWMB-PKOBYXMFSA-N 2 0 357.502 1.103 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3ccnn3C)C2)CC1 ZINC001086882234 952913978 /nfs/dbraw/zinc/91/39/78/952913978.db2.gz HTKYFWXUJLUCPA-PKOBYXMFSA-N 2 0 371.529 1.182 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC3CC3)C2)CC1 ZINC001087010683 953102380 /nfs/dbraw/zinc/10/23/80/953102380.db2.gz MNPXWUXKXIWLGC-VQTJNVASSA-N 2 0 369.513 1.059 20 30 FDEDRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CC#Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001092272597 954653812 /nfs/dbraw/zinc/65/38/12/954653812.db2.gz GXYOYXQYLOPMKG-SJBKTWHCSA-N 2 0 351.494 1.770 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4cnoc4C)C[C@@]3(C)C2)CC1 ZINC001092299603 954745478 /nfs/dbraw/zinc/74/54/78/954745478.db2.gz CUEAZFNILZDCPW-CTNGQTDRSA-N 2 0 370.497 1.609 20 30 FDEDRP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1nccn12 ZINC001092371168 955041574 /nfs/dbraw/zinc/04/15/74/955041574.db2.gz XMCXPFFUBMUGPV-ZACQAIPSSA-N 2 0 357.502 1.761 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3ccns3)C[C@H]2C)CC1 ZINC001093223637 957853310 /nfs/dbraw/zinc/85/33/10/957853310.db2.gz FGCRHGIVOFMVHF-NVXWUHKLSA-N 2 0 360.527 1.672 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001093470950 958231924 /nfs/dbraw/zinc/23/19/24/958231924.db2.gz AQJMMBSKUMHYQR-XLBJILASSA-N 2 0 370.497 1.361 20 30 FDEDRP C=CCNC(=O)C[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001180330996 965254618 /nfs/dbraw/zinc/25/46/18/965254618.db2.gz AHDVSRQLNJTQPD-UHFFFAOYSA-N 2 0 360.458 1.741 20 30 FDEDRP C[NH+]1CCN(C[C@@H](NC(=O)C#CC2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000852873418 967679967 /nfs/dbraw/zinc/67/99/67/967679967.db2.gz VGTLUQONSBAOMS-HXUWFJFHSA-N 2 0 354.498 1.094 20 30 FDEDRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)C#CC2CC[NH2+]CC2)cc1 ZINC000852889225 967692461 /nfs/dbraw/zinc/69/24/61/967692461.db2.gz QMXDBDUCBYODSR-FQEVSTJZSA-N 2 0 355.482 1.951 20 30 FDEDRP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193066261 969446228 /nfs/dbraw/zinc/44/62/28/969446228.db2.gz FFOKGYXJNGMETC-QZTJIDSGSA-N 2 0 365.522 1.190 20 30 FDEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001194603439 970270756 /nfs/dbraw/zinc/27/07/56/970270756.db2.gz DAHYOZWZBOHJDR-ZTFGCOKTSA-N 2 0 355.442 1.397 20 30 FDEDRP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001194996802 970595883 /nfs/dbraw/zinc/59/58/83/970595883.db2.gz HLGWTLYSNDIJGM-QZTJIDSGSA-N 2 0 353.507 1.005 20 30 FDEDRP C=CCC[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000883227998 982023674 /nfs/dbraw/zinc/02/36/74/982023674.db2.gz CSLBWFCXAZVQKQ-RBUKOAKNSA-N 2 0 351.535 1.886 20 30 FDEDRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884227512 983001644 /nfs/dbraw/zinc/00/16/44/983001644.db2.gz RGDSUEQJTKPIPW-XTBIFASLSA-N 2 0 352.482 1.859 20 30 FDEDRP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1 ZINC000884278743 983048849 /nfs/dbraw/zinc/04/88/49/983048849.db2.gz SNOINPCYVAWODQ-JMDAGXMHSA-N 2 0 352.482 1.861 20 30 FDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)C2 ZINC000884298248 983063921 /nfs/dbraw/zinc/06/39/21/983063921.db2.gz LUEGQEMROVGDGC-RNQBBGLBSA-N 2 0 370.472 1.774 20 30 FDEDRP CN1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000884319699 983080707 /nfs/dbraw/zinc/08/07/07/983080707.db2.gz BGOREZQGPULTGK-YXXBYESQSA-N 2 0 374.435 1.966 20 30 FDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC1CC[NH+](Cc3ccncc3)CC1)C2 ZINC000884402476 983139313 /nfs/dbraw/zinc/13/93/13/983139313.db2.gz VEWGKIBCHDVQDB-OBXNSHGQSA-N 2 0 367.497 1.549 20 30 FDEDRP COc1ccc([C@@H]2CN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)C[C@H]2[NH3+])cc1 ZINC000884468885 983173332 /nfs/dbraw/zinc/17/33/32/983173332.db2.gz OSUSIGNDDMZGTP-UXXRCDSJSA-N 2 0 354.454 1.088 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)C(C)C ZINC000884614469 983278061 /nfs/dbraw/zinc/27/80/61/983278061.db2.gz NURXNYGPBBLQAK-RCCFBDPRSA-N 2 0 362.518 1.154 20 30 FDEDRP C#CCN(C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)C1CC[NH+](C)CC1 ZINC000886581316 986383386 /nfs/dbraw/zinc/38/33/86/986383386.db2.gz SDXMQSCPMFQAIE-UHFFFAOYSA-N 2 0 368.525 1.604 20 30 FDEDRP Cc1cccc(C#N)c1S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000872430492 987649839 /nfs/dbraw/zinc/64/98/39/987649839.db2.gz GPDFBQOFKBPYRI-UHFFFAOYSA-N 2 0 366.531 1.761 20 30 FDEDRP C[NH+](C)C[C@H]1CCN(c2ccc(C#N)c(N3CC[C@H](C[NH+](C)C)C3)n2)C1 ZINC000293219553 987994316 /nfs/dbraw/zinc/99/43/16/987994316.db2.gz XZVLRCVMVCWEAA-IAGOWNOFSA-N 2 0 356.518 1.729 20 30 FDEDRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)C1 ZINC000363540293 989280790 /nfs/dbraw/zinc/28/07/90/989280790.db2.gz UTKNHWHJBDYAND-LJQANCHMSA-N 2 0 355.486 1.599 20 30 FDEDRP N#Cc1ccc(N2C(=O)C[C@H](N3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@H]4C3)C2=O)cc1 ZINC000364274804 989526954 /nfs/dbraw/zinc/52/69/54/989526954.db2.gz YDGHOBGWEYCWFY-WNHJNPCNSA-N 2 0 364.449 1.606 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000876284549 992523018 /nfs/dbraw/zinc/52/30/18/992523018.db2.gz TZIAIIWATBILFT-FQEVSTJZSA-N 2 0 371.529 1.940 20 30 FDEDRP C[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@H+]3CC[C@H](C)[C@@H]3CO)c2)[C@H]1CO ZINC000878485449 993979353 /nfs/dbraw/zinc/97/93/53/993979353.db2.gz OHFUZBGNCWDVNF-GQSCTRQFSA-N 2 0 357.498 1.964 20 30 FDEDRP N#CC[C@]1(O)CC[NH+](CC(C[N@H+]2CC[C@@](O)(CC#N)C2)C2CCCC2)C1 ZINC000878762326 994204985 /nfs/dbraw/zinc/20/49/85/994204985.db2.gz YIYDJCDWKPWKSX-PMACEKPBSA-N 2 0 360.502 1.494 20 30 FDEDRP COCC[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)CC1CC[NH+](C)CC1 ZINC000879125711 994559492 /nfs/dbraw/zinc/55/94/92/994559492.db2.gz GPQYTMHRSWOOPW-SFHVURJKSA-N 2 0 353.507 1.348 20 30 FDEDRP COc1cc(C#N)ccc1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000879210216 994638867 /nfs/dbraw/zinc/63/88/67/994638867.db2.gz WKJXWAFBLIZQGK-HZPDHXFCSA-N 2 0 359.474 1.770 20 30 FDEDRP C[NH+]1CCN(C2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)CC1 ZINC000879590816 995056556 /nfs/dbraw/zinc/05/65/56/995056556.db2.gz LHAFLCZLLKMMQE-LJQANCHMSA-N 2 0 358.486 1.010 20 30 FDEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCCCC[C@@H]1NC(=O)C(=C)C[NH+](C)C ZINC000887243818 997060851 /nfs/dbraw/zinc/06/08/51/997060851.db2.gz BDEMAQBADGUPAN-CALCHBBNSA-N 2 0 350.507 1.156 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccc(C)o1)N1CCOCC1 ZINC000264143492 997412648 /nfs/dbraw/zinc/41/26/48/997412648.db2.gz XDKLQNWJRKKMNB-IRXDYDNUSA-N 2 0 363.506 1.350 20 30 FDEDRP CC[NH+](CC)Cc1ccccc1CNC(NCCN1CCOCC1)=[NH+]C ZINC000265001757 997671043 /nfs/dbraw/zinc/67/10/43/997671043.db2.gz WLAKTLPABALOCQ-UHFFFAOYSA-N 2 0 361.534 1.526 20 30 FDEDRP C=CCNC(=O)C[N@H+](CC)CCCC1CC[NH+](CC(=O)NCC=C)CC1 ZINC000270802853 999616861 /nfs/dbraw/zinc/61/68/61/999616861.db2.gz APRGHFYQQRYNKJ-UHFFFAOYSA-N 2 0 364.534 1.405 20 30 FDEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000271686783 999725057 /nfs/dbraw/zinc/72/50/57/999725057.db2.gz QMDWDCOHQARBSW-APWZRJJASA-N 2 0 358.486 1.682 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccncc1OC[C@@H]1CCOC1 ZINC000287012957 999954010 /nfs/dbraw/zinc/95/40/10/999954010.db2.gz FWMCPPLLEXFEIY-NVXWUHKLSA-N 2 0 361.490 1.386 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cnc(OC)c(C#N)c1 ZINC000932512343 1004995321 /nfs/dbraw/zinc/99/53/21/1004995321.db2.gz WOVFKYCNDNEYGH-QGZVFWFLSA-N 2 0 374.489 1.842 20 30 FDEDRP O=C(CCN1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccccc1 ZINC001111152353 1006482353 /nfs/dbraw/zinc/48/23/53/1006482353.db2.gz UKYKYSAXMNQMEN-NJYVYQBISA-N 2 0 367.493 1.482 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000303863851 1009643553 /nfs/dbraw/zinc/64/35/53/1009643553.db2.gz APCBLCANNXZHPW-HXUWFJFHSA-N 2 0 373.545 1.629 20 30 FDEDRP C[C@@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC000303894762 1009680403 /nfs/dbraw/zinc/68/04/03/1009680403.db2.gz SUTUUKYNWKHXDG-INIZCTEOSA-N 2 0 367.538 1.974 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000303902485 1009685656 /nfs/dbraw/zinc/68/56/56/1009685656.db2.gz UBNWLGOTEQLSJK-FQEVSTJZSA-N 3 0 372.561 1.587 20 30 FDEDRP C[NH+]=C(NCc1ccc(N2CCCC2=O)cc1)N[C@@H]1CCN(C2CC2)C1 ZINC000083134107 1011798776 /nfs/dbraw/zinc/79/87/76/1011798776.db2.gz QCMHFCPXBWWSQZ-MRXNPFEDSA-N 2 0 355.486 1.715 20 30 FDEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C2)C1 ZINC000963816039 1012731879 /nfs/dbraw/zinc/73/18/79/1012731879.db2.gz QCTGIZWIUPYZGY-FAFJLIIVSA-N 2 0 361.530 1.936 20 30 FDEDRP C[N@H+](CCNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000264909140 179237017 /nfs/dbraw/zinc/23/70/17/179237017.db2.gz WNGHLLLMDVJIEF-UHFFFAOYSA-N 2 0 355.486 1.870 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000530233626 539916531 /nfs/dbraw/zinc/91/65/31/539916531.db2.gz ZDHLXDGKAGQHBB-AQNXPRMDSA-N 2 0 373.497 1.655 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000530232107 539915928 /nfs/dbraw/zinc/91/59/28/539915928.db2.gz NFGLLISWKAYIBC-QRVBRYPASA-N 2 0 359.470 1.265 20 30 FDEDRP CN(C)c1cc(C#N)cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000294931030 184020968 /nfs/dbraw/zinc/02/09/68/184020968.db2.gz XMTJSMVQUPNCTK-UHFFFAOYSA-N 2 0 359.518 1.970 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000553343038 543613504 /nfs/dbraw/zinc/61/35/04/543613504.db2.gz AWXXSPKLVQRFAU-UHFFFAOYSA-N 2 0 350.507 1.134 20 30 FDEDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cnc4c(C#N)cnn4c3)cn2)CC1 ZINC000555551989 543971510 /nfs/dbraw/zinc/97/15/10/543971510.db2.gz DHGZJEUYTHEAAS-UHFFFAOYSA-N 2 0 362.441 1.038 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C)C(C)C ZINC000556205646 544117551 /nfs/dbraw/zinc/11/75/51/544117551.db2.gz GKSOMEBRZWGLJW-ROUUACIJSA-N 2 0 364.534 1.354 20 30 FDEDRP C=CCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000556963798 544225755 /nfs/dbraw/zinc/22/57/55/544225755.db2.gz IXRDRCSWHKCEFS-UXHICEINSA-N 2 0 370.497 1.972 20 30 FDEDRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000333805155 259383450 /nfs/dbraw/zinc/38/34/50/259383450.db2.gz IKMDOWOTUPTIAN-VQIMIIECSA-N 2 0 355.486 1.916 20 30 FDEDRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCN(c3ncccc3C#N)CC2)CC1 ZINC000369190468 260309477 /nfs/dbraw/zinc/30/94/77/260309477.db2.gz YRORIXUEIHVBNP-UHFFFAOYSA-N 2 0 370.545 1.881 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000077594101 523391475 /nfs/dbraw/zinc/39/14/75/523391475.db2.gz QJKXITSXTXULEO-UHFFFAOYSA-N 2 0 364.534 1.781 20 30 FDEDRP C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000122130775 524458697 /nfs/dbraw/zinc/45/86/97/524458697.db2.gz GNWVNGLHZUCMQO-UHFFFAOYSA-N 2 0 359.474 1.381 20 30 FDEDRP C[NH+]=C(NCc1nncn1-c1ccccc1)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000158415509 524464328 /nfs/dbraw/zinc/46/43/28/524464328.db2.gz IVJWUEDACPGSOB-WBVHZDCISA-N 2 0 355.490 1.661 20 30 FDEDRP CN1CCN([C@@H]2CCCC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000174889368 524780688 /nfs/dbraw/zinc/78/06/88/524780688.db2.gz OLUGFMUUDAVAHM-UXHICEINSA-N 2 0 372.513 1.400 20 30 FDEDRP C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000180875024 525767269 /nfs/dbraw/zinc/76/72/69/525767269.db2.gz JHYYXWWCYVMZBP-DNTCVELPSA-N 2 0 372.469 1.804 20 30 FDEDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000155309162 525816311 /nfs/dbraw/zinc/81/63/11/525816311.db2.gz KHBVPCHMYQKGHD-UHFFFAOYSA-N 2 0 368.478 1.344 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)C(C)C ZINC000236690742 537596678 /nfs/dbraw/zinc/59/66/78/537596678.db2.gz VGCIHINTQVFUIN-GOSISDBHSA-N 2 0 360.506 1.631 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)CC1 ZINC000574264526 550285284 /nfs/dbraw/zinc/28/52/84/550285284.db2.gz VFIREDRKMMLWAM-SJLPKXTDSA-N 2 0 373.501 1.449 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CC)CCC[NH+]2CCCC2)CC1 ZINC000576132445 550514203 /nfs/dbraw/zinc/51/42/03/550514203.db2.gz XUUZQLSSMXAHCA-UHFFFAOYSA-N 2 0 364.534 1.478 20 30 FDEDRP C[NH+](C)CCN1CCC([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000576391314 550543988 /nfs/dbraw/zinc/54/39/88/550543988.db2.gz SAEVVEZZNMBOQM-IBGZPJMESA-N 2 0 360.502 1.108 20 30 FDEDRP C[NH+](C)C1CCN(CC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000580184421 550952324 /nfs/dbraw/zinc/95/23/24/550952324.db2.gz AQVWPBSPGHVXGH-LJQANCHMSA-N 2 0 360.502 1.108 20 30 FDEDRP CS(=O)(=O)N1CC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000581948305 551154566 /nfs/dbraw/zinc/15/45/66/551154566.db2.gz GZDKECQEHNDSNB-SFHVURJKSA-N 2 0 362.499 1.146 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000592343886 551982593 /nfs/dbraw/zinc/98/25/93/551982593.db2.gz MATCYWAVANLYOX-IBGZPJMESA-N 2 0 365.566 1.598 20 30 FDEDRP C[NH2+]C[C@@H]1CCCN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593721532 552182303 /nfs/dbraw/zinc/18/23/03/552182303.db2.gz OTLLUPWSQMDJJJ-IBGZPJMESA-N 2 0 355.486 1.916 20 30 FDEDRP C[NH2+]C[C@H]1CCCN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593721533 552182350 /nfs/dbraw/zinc/18/23/50/552182350.db2.gz OTLLUPWSQMDJJJ-LJQANCHMSA-N 2 0 355.486 1.916 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)COC3CCC([NH3+])CC3)CC2)c1 ZINC000593919293 552225515 /nfs/dbraw/zinc/22/55/15/552225515.db2.gz RKLCYVCQKUHUQW-UHFFFAOYSA-N 2 0 370.497 1.925 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)C[C@@H]3CSCC[NH2+]3)CC2)c1 ZINC000593919285 552225554 /nfs/dbraw/zinc/22/55/54/552225554.db2.gz RGFJGKJAWHRMEV-GOSISDBHSA-N 2 0 358.511 1.734 20 30 FDEDRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594439919 552310873 /nfs/dbraw/zinc/31/08/73/552310873.db2.gz WHIIAJYXIULPIT-HXUWFJFHSA-N 2 0 371.529 1.852 20 30 FDEDRP N#Cc1ccc([C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C(N)=O)cc1 ZINC000594721093 552363794 /nfs/dbraw/zinc/36/37/94/552363794.db2.gz LVXDFQUWMODUBC-FQEVSTJZSA-N 2 0 363.465 1.981 20 30 FDEDRP N#Cc1ccc(CC[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000595892607 552629493 /nfs/dbraw/zinc/62/94/93/552629493.db2.gz NRCWGKFBOVLVMC-MOPGFXCFSA-N 2 0 353.470 1.321 20 30 FDEDRP N#Cc1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc1N[C@@H]1CC[NH+](C2CC2)C1 ZINC000596091101 552654136 /nfs/dbraw/zinc/65/41/36/552654136.db2.gz HVZQMYXOMJGMSW-HZPDHXFCSA-N 2 0 352.486 2.250 20 30 FDEDRP CN(CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)CC[NH+](C)C ZINC000598918605 552944888 /nfs/dbraw/zinc/94/48/88/552944888.db2.gz OVTPYEBKBDYXPE-UHFFFAOYSA-N 2 0 357.546 1.996 20 30 FDEDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1CC#N ZINC000601396812 553393627 /nfs/dbraw/zinc/39/36/27/553393627.db2.gz HXNHKLDDXDEJPR-UHFFFAOYSA-N 2 0 364.515 1.399 20 30 FDEDRP C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000602600047 553610270 /nfs/dbraw/zinc/61/02/70/553610270.db2.gz GRBLDBCLSFWWHM-AWEZNQCLSA-N 2 0 351.410 1.769 20 30 FDEDRP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC000602876211 553657157 /nfs/dbraw/zinc/65/71/57/553657157.db2.gz GAJLGXZDJWDIHU-GOSISDBHSA-N 2 0 361.534 1.096 20 30 FDEDRP N#Cc1cc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000603127421 553712915 /nfs/dbraw/zinc/71/29/15/553712915.db2.gz DHTQAHHTBUFRMK-UHFFFAOYSA-N 2 0 365.441 1.682 20 30 FDEDRP C[C@]1(C#N)CCCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000612117435 554736582 /nfs/dbraw/zinc/73/65/82/554736582.db2.gz NHUIPKHQKBGOIZ-HXUWFJFHSA-N 2 0 370.501 1.929 20 30 FDEDRP C[NH+]=C(NCC1CC[NH+](C)CC1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000158946247 671985544 /nfs/dbraw/zinc/98/55/44/671985544.db2.gz HKYZLIYSKQZYLQ-HNNXBMFYSA-N 2 0 364.925 1.821 20 30 FDEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH+]C)N2CC(=O)N(C(C)C)C(C)(C)C2)C1 ZINC000261813368 672676549 /nfs/dbraw/zinc/67/65/49/672676549.db2.gz HVFRYHRCISHHIU-MRXNPFEDSA-N 2 0 351.539 1.625 20 30 FDEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH+]C)N2CCS[C@H](C(C)C)C2)CC1 ZINC000261822330 672678459 /nfs/dbraw/zinc/67/84/59/672678459.db2.gz URCNZLPFERBGOE-SJORKVTESA-N 2 0 355.596 1.661 20 30 FDEDRP C[NH+]=C(NCC(C)(C)[NH+]1CCC(OC)CC1)N1CC[C@@]2(CCOC2)C1 ZINC000261955149 672701100 /nfs/dbraw/zinc/70/11/00/672701100.db2.gz INIJXNYZXIFPJP-LJQANCHMSA-N 2 0 352.523 1.564 20 30 FDEDRP C[NH+]=C(NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCO[C@@H](COC)C1 ZINC000261986483 672707041 /nfs/dbraw/zinc/70/70/41/672707041.db2.gz RWLXHJYPMZOBCD-IXDOHACOSA-N 2 0 354.539 1.666 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1([NH+]2CCSCC2)CCCC1 ZINC000303869818 676543308 /nfs/dbraw/zinc/54/33/08/676543308.db2.gz FDKALJUJWIQCRH-INIZCTEOSA-N 3 0 353.580 1.737 20 30 FDEDRP C[C@@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@]2(CCCOC2)O1 ZINC000330099212 676672354 /nfs/dbraw/zinc/67/23/54/676672354.db2.gz CTGDIUPIBNBREZ-DNVCBOLYSA-N 2 0 351.491 1.840 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330246136 676680645 /nfs/dbraw/zinc/68/06/45/676680645.db2.gz YBCFUMWOVZKMAG-KZNAEPCWSA-N 2 0 352.523 1.694 20 30 FDEDRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330249051 676680886 /nfs/dbraw/zinc/68/08/86/676680886.db2.gz ZQYGUUPAJCTXRO-VDHUWJSZSA-N 2 0 350.507 1.447 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)C(C)C ZINC000419565610 680278463 /nfs/dbraw/zinc/27/84/63/680278463.db2.gz FCTGDYHLZVBFTL-BBWFWOEESA-N 2 0 350.507 1.010 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000532264494 694870285 /nfs/dbraw/zinc/87/02/85/694870285.db2.gz YZGUULQFGCLNED-ROUUACIJSA-N 2 0 350.507 1.314 20 30 FDEDRP COc1ccc(CNC(=[NH2+])NCCC[N@@H+]2CCCO[C@H](C)C2)cc1OC ZINC000277280052 781310412 /nfs/dbraw/zinc/31/04/12/781310412.db2.gz JZDNGCFPSAQNGO-OAHLLOKOSA-N 2 0 364.490 1.609 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001104599501 788831886 /nfs/dbraw/zinc/83/18/86/788831886.db2.gz SMFPDSLKCABFDP-IXDOHACOSA-N 2 0 352.523 1.093 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(C#N)c(F)c3)C2)CC[N@@H+]1C ZINC001026853183 800008860 /nfs/dbraw/zinc/00/88/60/800008860.db2.gz ZRUUNBOFGRMUEV-UWWQBHOKSA-N 2 0 358.461 1.976 20 30 FDEDRP C[N@H+](CCN1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1)Cc1ccccc1 ZINC000424139939 815316621 /nfs/dbraw/zinc/31/66/21/815316621.db2.gz AQRXWOSNTLBVNW-IBGZPJMESA-N 2 0 357.502 1.284 20 30 FDEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112122547 810106508 /nfs/dbraw/zinc/10/65/08/810106508.db2.gz TXODTAAYBBEKSI-RBSFLKMASA-N 2 0 363.424 1.652 20 30 FDEDRP C#Cc1cccc(NC(=O)CNC(N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)=[NH+]C)c1 ZINC000261962818 811354864 /nfs/dbraw/zinc/35/48/64/811354864.db2.gz KQIVEHFRWHBENU-KSSFIOAISA-N 2 0 353.470 1.254 20 30 FDEDRP C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262020385 811369570 /nfs/dbraw/zinc/36/95/70/811369570.db2.gz YPJNSCSMFDSLJN-KSSFIOAISA-N 2 0 367.501 1.723 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000272992815 814785441 /nfs/dbraw/zinc/78/54/41/814785441.db2.gz SYXZCCGNEDZZLE-RBUKOAKNSA-N 3 0 359.518 1.142 20 30 FDEDRP C=CCn1cc(CNC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)nn1 ZINC000425870569 816622379 /nfs/dbraw/zinc/62/23/79/816622379.db2.gz HHYXOMQXWVBZPU-QGZVFWFLSA-N 2 0 363.510 1.022 20 30 FDEDRP C[NH+]=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)N1CC[C@]2(CCOC2)C1 ZINC000261969928 817868939 /nfs/dbraw/zinc/86/89/39/817868939.db2.gz MNZNKBUAJFZERF-CTNGQTDRSA-N 2 0 372.513 1.575 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nccnc3C)[C@@H]2CC)CC1 ZINC001087840407 822559579 /nfs/dbraw/zinc/55/95/79/822559579.db2.gz WLRYPJHRPNMVIA-AZUAARDMSA-N 2 0 369.513 1.599 20 30 FDEDRP O=C(NC1CC[NH+](CC2CC2)CC1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330124699 825657652 /nfs/dbraw/zinc/65/76/52/825657652.db2.gz BGUGCVIAQCEFFQ-MOPGFXCFSA-N 2 0 364.534 1.742 20 30 FDEDRP C[C@H](CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)CN1CCOCC1 ZINC000330204363 825731933 /nfs/dbraw/zinc/73/19/33/825731933.db2.gz BNRZGFUUPURXED-IAGOWNOFSA-N 2 0 368.522 1.054 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(C)C ZINC000729592914 830134704 /nfs/dbraw/zinc/13/47/04/830134704.db2.gz NXKOUWOLLOBFLO-CEXWTWQISA-N 2 0 364.534 1.847 20 30 FDEDRP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCC2(C1)CCOCC2 ZINC000262754626 831258630 /nfs/dbraw/zinc/25/86/30/831258630.db2.gz ATGVGKVEGSHHGA-UHFFFAOYSA-N 2 0 364.534 1.709 20 30 FDEDRP C[NH+]1CCN(c2ccc(C[NH2+]CCNc3ccc(C#N)cn3)cc2)CC1 ZINC000897396579 832065779 /nfs/dbraw/zinc/06/57/79/832065779.db2.gz NVQREQQZKNNWCA-UHFFFAOYSA-N 2 0 350.470 1.907 20 30 FDEDRP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001088571526 834838607 /nfs/dbraw/zinc/83/86/07/834838607.db2.gz DHNGYMFJPUWCQL-XPGWFJOJSA-N 2 0 352.482 1.979 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105637624 842272930 /nfs/dbraw/zinc/27/29/30/842272930.db2.gz STTLYDMMCJTHRY-UKAVVXHISA-N 2 0 361.530 1.460 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105655780 842479031 /nfs/dbraw/zinc/47/90/31/842479031.db2.gz KXQUCGNXRMYINP-PLOVASNDSA-N 2 0 363.546 1.564 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3CC[NH+](C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001105660698 842573596 /nfs/dbraw/zinc/57/35/96/842573596.db2.gz YJYOTQFWQJYLGG-WERVVEIQSA-N 2 0 361.530 1.318 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C[NH+](CC)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105661062 842653950 /nfs/dbraw/zinc/65/39/50/842653950.db2.gz DHIOOZXMHXLFEH-IZBJGVDFSA-N 2 0 351.535 1.870 20 30 FDEDRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001076457479 848179459 /nfs/dbraw/zinc/17/94/59/848179459.db2.gz FQUODGCSWGTHEN-SLFFLAALSA-N 2 0 352.482 1.933 20 30 FDEDRP C[NH+](C)CC#CCNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000913522071 862305865 /nfs/dbraw/zinc/30/58/65/862305865.db2.gz YNXYVGNQEMCNGZ-UHFFFAOYSA-N 2 0 353.470 1.407 20 30 FDEDRP C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](CCC)CC1 ZINC000669336929 863010550 /nfs/dbraw/zinc/01/05/50/863010550.db2.gz XFTOVHVSXFFDEU-MSOLQXFVSA-N 2 0 374.533 1.922 20 30 FDEDRP C[C@@H]1CN(C)C[C@H](C(=O)N(C)[C@H]2CCN(Cc3ccccc3C#N)C2)O1 ZINC001033183613 881684979 /nfs/dbraw/zinc/68/49/79/881684979.db2.gz COYXTHLHWVTOHI-AYOQOUSVSA-N 2 0 356.470 1.310 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001106378338 874989425 /nfs/dbraw/zinc/98/94/25/874989425.db2.gz MXLSXWQKSSXEAQ-HLLBOEOZSA-N 2 0 369.469 1.323 20 30 FDEDRP C=CCN1C[C@@H](NC(=O)C[C@@H](C)n2ccnc2CC)[C@@H](n2ccnn2)C1 ZINC001129004262 884993895 /nfs/dbraw/zinc/99/38/95/884993895.db2.gz NUTDAYUQGHOHBS-OAGGEKHMSA-N 2 0 357.462 1.216 20 30 FDEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129030343 885349801 /nfs/dbraw/zinc/34/98/01/885349801.db2.gz WHNGDUTYWFCBKU-BBWFWOEESA-N 2 0 366.485 1.266 20 30 FDEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129048415 885531234 /nfs/dbraw/zinc/53/12/34/885531234.db2.gz BOYUUYDVTVMNIS-ZACQAIPSSA-N 2 0 360.506 1.459 20 30 FDEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129257604 886932069 /nfs/dbraw/zinc/93/20/69/886932069.db2.gz LCHDBQWIRCJFBY-KURKYZTESA-N 2 0 362.522 1.706 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)CC1 ZINC000923321624 888901281 /nfs/dbraw/zinc/90/12/81/888901281.db2.gz GHCBZKKEKSYBJH-QZTJIDSGSA-N 2 0 360.502 1.027 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000923384447 889067694 /nfs/dbraw/zinc/06/76/94/889067694.db2.gz XSYYUHLWDKZODY-GOSISDBHSA-N 2 0 367.453 1.435 20 30 FDEDRP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001212295455 889936469 /nfs/dbraw/zinc/93/64/69/889936469.db2.gz QROLOGNPYLWKSK-KBAYOESNSA-N 2 0 363.506 1.228 20 30 FDEDRP C=CCC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001128107510 896967316 /nfs/dbraw/zinc/96/73/16/896967316.db2.gz SEQFEYQJJLXGQK-BHIYHBOVSA-N 2 0 371.529 1.782 20 30 FDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001079240740 902190316 /nfs/dbraw/zinc/19/03/16/902190316.db2.gz ARKSXXLCQNZEFM-IPMKNSEASA-N 2 0 361.530 1.985 20 30 FDEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]3COC[C@@H]32)CC1 ZINC001079242441 902337087 /nfs/dbraw/zinc/33/70/87/902337087.db2.gz YURKCKZLVYMMAN-HSALFYBXSA-N 2 0 371.525 1.291 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001079494511 902709178 /nfs/dbraw/zinc/70/91/78/902709178.db2.gz GOFWAOTYGCPHFG-ATZDWAIDSA-N 2 0 356.470 1.620 20 30 FDEDRP CC#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC000996777087 905306171 /nfs/dbraw/zinc/30/61/71/905306171.db2.gz SYQGETRTTPYMEU-YNIZLOQISA-N 2 0 360.546 1.395 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](OC)C3CCC3)C[C@H]2C)CC1 ZINC001080997805 906972354 /nfs/dbraw/zinc/97/23/54/906972354.db2.gz KVADERWJCCKYAO-NSISKUIASA-N 2 0 361.530 1.583 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@H]2OC)CC1 ZINC001082384431 907387829 /nfs/dbraw/zinc/38/78/29/907387829.db2.gz VUPRPXJLEYRZAF-IAGOWNOFSA-N 2 0 369.456 1.192 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]C[C@H](C)O)C2)CC1 ZINC001081232082 907431483 /nfs/dbraw/zinc/43/14/83/907431483.db2.gz YDVFAUDUDXWKGL-DZFGPLHGSA-N 2 0 369.509 1.297 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001082515610 908185952 /nfs/dbraw/zinc/18/59/52/908185952.db2.gz RYESXMDXLGLRQP-UIAACRFSSA-N 2 0 352.482 1.837 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001082515609 908186045 /nfs/dbraw/zinc/18/60/45/908186045.db2.gz RYESXMDXLGLRQP-CDHQVMDDSA-N 2 0 352.482 1.837 20 30 FDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC001082558420 908599885 /nfs/dbraw/zinc/59/98/85/908599885.db2.gz PKXPESMWRUMVFL-KBRIMQKVSA-N 2 0 355.910 1.819 20 30 FDEDRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001082741768 909941836 /nfs/dbraw/zinc/94/18/36/909941836.db2.gz BLALXXMQTGHSAY-SPYBWZPUSA-N 2 0 358.461 1.976 20 30 FDEDRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)C1 ZINC001082742861 909949325 /nfs/dbraw/zinc/94/93/25/909949325.db2.gz UWKOKILOCFVTIU-SPYBWZPUSA-N 2 0 358.461 1.976 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001082920182 910890380 /nfs/dbraw/zinc/89/03/80/910890380.db2.gz UHSQVAIQAAJZRR-QGPMSJSTSA-N 2 0 356.470 1.455 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C4CC4)no3)C2)CC1 ZINC001082941052 911016108 /nfs/dbraw/zinc/01/61/08/911016108.db2.gz MAVOHSGRIPPZPI-FOIQADDNSA-N 2 0 370.497 1.834 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000743766063 926464003 /nfs/dbraw/zinc/46/40/03/926464003.db2.gz JCULWFVIZCUIFA-OAQYLSRUSA-N 2 0 355.482 1.085 20 30 FDEDRP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129406919 938403999 /nfs/dbraw/zinc/40/39/99/938403999.db2.gz BUMKAIWYBDGGRP-MSOLQXFVSA-N 2 0 362.522 1.708 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@@H]1n1ccnn1 ZINC001129884654 938538823 /nfs/dbraw/zinc/53/88/23/938538823.db2.gz QHFVYIFHDMBECB-SQNIBIBYSA-N 2 0 360.506 1.460 20 30 FDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001129918816 938567544 /nfs/dbraw/zinc/56/75/44/938567544.db2.gz KIYBQHGYQZACGM-ZACQAIPSSA-N 2 0 362.522 1.705 20 30 FDEDRP CCCCCCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130074704 938668808 /nfs/dbraw/zinc/66/88/08/938668808.db2.gz FVUYLXCOVBOEKW-MSOLQXFVSA-N 2 0 364.538 1.932 20 30 FDEDRP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123501 938705719 /nfs/dbraw/zinc/70/57/19/938705719.db2.gz SZCYYXVAQSVIBG-KURKYZTESA-N 2 0 360.506 1.318 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130590198 939896018 /nfs/dbraw/zinc/89/60/18/939896018.db2.gz DKZNKFBQYMWGCR-UHOSZYNNSA-N 2 0 357.502 1.200 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130612406 939910158 /nfs/dbraw/zinc/91/01/58/939910158.db2.gz ZCBVAQKNZYCCST-UHOSZYNNSA-N 2 0 361.534 1.857 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130614684 939912034 /nfs/dbraw/zinc/91/20/34/939912034.db2.gz BDYOSXMTUVHVPS-QXAKKESOSA-N 2 0 359.518 1.755 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130635367 939937707 /nfs/dbraw/zinc/93/77/07/939937707.db2.gz XEECRFJFCORNIX-DFQSSKMNSA-N 2 0 371.529 1.755 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1c1cn(C)cn1 ZINC001130733937 940034328 /nfs/dbraw/zinc/03/43/28/940034328.db2.gz BGMUFZWASYKHPA-QXAKKESOSA-N 2 0 357.502 1.202 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1c1cn(C)cn1 ZINC001130734648 940035034 /nfs/dbraw/zinc/03/50/34/940035034.db2.gz XVOHXOHMDVFTGQ-UHOSZYNNSA-N 2 0 357.502 1.202 20 30 FDEDRP C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[NH+](C)C)n2)O1 ZINC001130804575 940175602 /nfs/dbraw/zinc/17/56/02/940175602.db2.gz LYVBBXVWVULIFH-LSDHHAIUSA-N 2 0 364.494 1.149 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001131053864 940480620 /nfs/dbraw/zinc/48/06/20/940480620.db2.gz FYFZMNZBXVVDGR-WNRNVDISSA-N 2 0 357.502 1.058 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1c1cncn1C ZINC001131084182 940489330 /nfs/dbraw/zinc/48/93/30/940489330.db2.gz LHDPAUNQEADDDH-GUDVDZBRSA-N 2 0 371.529 1.592 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1c1cncn1C ZINC001131108207 940502711 /nfs/dbraw/zinc/50/27/11/940502711.db2.gz MSJBOPZWUOSJTC-IAGOWNOFSA-N 2 0 368.485 1.655 20 30 FDEDRP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001131608594 940788487 /nfs/dbraw/zinc/78/84/87/940788487.db2.gz HNMBDFDMSZBWGW-AABGKKOBSA-N 2 0 361.530 1.870 20 30 FDEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000817786595 942977877 /nfs/dbraw/zinc/97/78/77/942977877.db2.gz ZKHHCMYNIIKLFQ-UHFFFAOYSA-N 2 0 363.550 1.143 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1c1ccc(OC)cc1 ZINC001090872105 947439463 /nfs/dbraw/zinc/43/94/63/947439463.db2.gz FTIOTLAPXZGBLW-UWHLTILDSA-N 2 0 369.509 1.943 20 30 FDEDRP CC[C@H](C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1O)[NH+](CC)CC ZINC001196116336 971487187 /nfs/dbraw/zinc/48/71/87/971487187.db2.gz XLYCAJKJFUQZPH-GUDVDZBRSA-N 2 0 358.486 1.340 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001086982440 952995378 /nfs/dbraw/zinc/99/53/78/952995378.db2.gz JZOBYWCDAJKNKV-ZCNNSNEGSA-N 2 0 371.529 1.897 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1c1cnn(C)c1 ZINC001086983893 952997969 /nfs/dbraw/zinc/99/79/69/952997969.db2.gz NJICCLWZHXQCNJ-RBUKOAKNSA-N 2 0 371.529 1.756 20 30 FDEDRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ccc(C#N)s4)C[C@@]3(C)C2)C1 ZINC001092274037 954660721 /nfs/dbraw/zinc/66/07/21/954660721.db2.gz ZFPDFVUBKJNWSE-KHYOSLBOSA-N 2 0 358.511 1.852 20 30 FDEDRP C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133292 957618007 /nfs/dbraw/zinc/61/80/07/957618007.db2.gz ZWLUSOKBAPASDU-UYAOXDASSA-N 2 0 351.494 1.818 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]2C)CC1 ZINC001093223613 957853647 /nfs/dbraw/zinc/85/36/47/957853647.db2.gz CPHXEWHJDWDZMD-MISYRCLQSA-N 2 0 361.530 1.585 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4c[nH+]cn4c3)[C@H]2C(C)C)C[C@H]1O ZINC001093457511 958280920 /nfs/dbraw/zinc/28/09/20/958280920.db2.gz KUBBSEXFTUGNAC-WERVVEIQSA-N 2 0 366.465 1.547 20 30 FDEDRP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3Cc3ccccc3C#N)C[C@H]2C1 ZINC001183831176 963301737 /nfs/dbraw/zinc/30/17/37/963301737.db2.gz LVSONWSCQFWGPF-ZCNNSNEGSA-N 2 0 352.482 1.933 20 30 FDEDRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)Cc1c(C)[nH]c2ccc(C#N)cc21 ZINC001183892300 963328738 /nfs/dbraw/zinc/32/87/38/963328738.db2.gz QDLVBBLKEIZASY-UHFFFAOYSA-N 2 0 354.458 1.954 20 30 FDEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC12CCOCC2 ZINC001186373065 964480475 /nfs/dbraw/zinc/48/04/75/964480475.db2.gz GEGXMCWGROMJCH-IXDOHACOSA-N 2 0 369.937 1.924 20 30 FDEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000852828391 967639340 /nfs/dbraw/zinc/63/93/40/967639340.db2.gz WXOOQLIVCHDMNB-YZGWKJHDSA-N 2 0 364.449 1.363 20 30 FDEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000852828384 967639557 /nfs/dbraw/zinc/63/95/57/967639557.db2.gz WXOOQLIVCHDMNB-HOJAQTOUSA-N 2 0 364.449 1.363 20 30 FDEDRP N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000848394148 976715687 /nfs/dbraw/zinc/71/56/87/976715687.db2.gz GZILAEQHWYGHKB-IRXDYDNUSA-N 2 0 358.442 1.945 20 30 FDEDRP C[C@H](CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)[NH+]1CCCCC1 ZINC000849087187 977308080 /nfs/dbraw/zinc/30/80/80/977308080.db2.gz GSCSDHMCFIREIJ-HZPDHXFCSA-N 2 0 365.522 1.741 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849522200 977717161 /nfs/dbraw/zinc/71/71/61/977717161.db2.gz JWRHRHFZJIQNGE-RBUKOAKNSA-N 2 0 359.518 1.612 20 30 FDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1cccc(C[NH+]3CCC(O)CC3)c1)C2 ZINC000884190330 982966263 /nfs/dbraw/zinc/96/62/63/982966263.db2.gz AXCHUFWETLKPSJ-BATSVXPKSA-N 2 0 368.481 1.721 20 30 FDEDRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1 ZINC000884205440 982981105 /nfs/dbraw/zinc/98/11/05/982981105.db2.gz WSQYHQUMCNAZQG-RDYUPDBUSA-N 2 0 369.469 1.655 20 30 FDEDRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884227509 983001422 /nfs/dbraw/zinc/00/14/22/983001422.db2.gz RGDSUEQJTKPIPW-JMDAGXMHSA-N 2 0 352.482 1.859 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000332485660 983063192 /nfs/dbraw/zinc/06/31/92/983063192.db2.gz NPCSFNISJLJTFK-AEFFLSMTSA-N 2 0 362.518 1.086 20 30 FDEDRP CN1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000884319697 983080914 /nfs/dbraw/zinc/08/09/14/983080914.db2.gz BGOREZQGPULTGK-NQXRVZIKSA-N 2 0 374.435 1.966 20 30 FDEDRP CCC1([NH+]2CCOCC2)CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884442445 983157762 /nfs/dbraw/zinc/15/77/62/983157762.db2.gz FQCFQHZNSFKYOC-HFCFLWKCSA-N 2 0 360.502 1.229 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000884642394 984649693 /nfs/dbraw/zinc/64/96/93/984649693.db2.gz IEPGCABHIKNUDG-UHFFFAOYSA-N 2 0 370.497 1.105 20 30 FDEDRP C[C@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870025105 985536325 /nfs/dbraw/zinc/53/63/25/985536325.db2.gz YQRQQNLUJNIKSS-CGTJXYLNSA-N 2 0 358.486 1.523 20 30 FDEDRP N#Cc1cc(C[NH+]2C[C@@H]3COC[C@@H]3C2)cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000872319225 987599662 /nfs/dbraw/zinc/59/96/62/987599662.db2.gz BFRINLOFMWLVNQ-FXELSEDVSA-N 2 0 353.466 1.715 20 30 FDEDRP C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363202658 988989498 /nfs/dbraw/zinc/98/94/98/988989498.db2.gz VLOIZYTYSFVGGR-HXUWFJFHSA-N 2 0 373.497 1.873 20 30 FDEDRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000363455794 989214688 /nfs/dbraw/zinc/21/46/88/989214688.db2.gz GRESSRZOFOGLLY-VQTJNVASSA-N 2 0 372.513 1.257 20 30 FDEDRP Cc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000873982682 989573453 /nfs/dbraw/zinc/57/34/53/989573453.db2.gz GGFPXVRSWKRCKJ-IAGOWNOFSA-N 2 0 371.485 1.003 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)CC[N@@H+]1C ZINC000968725346 1015577026 /nfs/dbraw/zinc/57/70/26/1015577026.db2.gz SOLYZLONPYZEJN-SZVBFZGTSA-N 2 0 356.470 1.620 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C[C@H]1C[NH+](C)C ZINC000876281566 992521342 /nfs/dbraw/zinc/52/13/42/992521342.db2.gz SXECIVVZPCSZSL-AQNXPRMDSA-N 2 0 369.513 1.406 20 30 FDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000876781659 992908245 /nfs/dbraw/zinc/90/82/45/992908245.db2.gz QAMGOGLHWNAEEM-SJORKVTESA-N 2 0 350.894 1.561 20 30 FDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000876782344 992910026 /nfs/dbraw/zinc/91/00/26/992910026.db2.gz PFAUGMKAFOOZCF-MRXNPFEDSA-N 3 0 351.882 1.180 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000876921103 992968145 /nfs/dbraw/zinc/96/81/45/992968145.db2.gz KEGZCTJOMQORAB-SXLOBPIMSA-N 2 0 368.481 1.490 20 30 FDEDRP C=CCCC[C@@H]1NC(=O)N(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000924567304 994835101 /nfs/dbraw/zinc/83/51/01/994835101.db2.gz LPKMWONXJPCBII-SFHVURJKSA-N 2 0 371.485 1.870 20 30 FDEDRP [NH2+]=C(NCCCCCCC[NH+]1CCCC1)N1CCN(c2ncccn2)CC1 ZINC000264136442 997411130 /nfs/dbraw/zinc/41/11/30/997411130.db2.gz ZUPUZQUYWFKDHD-UHFFFAOYSA-N 2 0 373.549 1.960 20 30 FDEDRP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000948381220 1002280541 /nfs/dbraw/zinc/28/05/41/1002280541.db2.gz IDSSHRYMCMDATN-ZCNNSNEGSA-N 2 0 361.530 1.679 20 30 FDEDRP CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)CC1 ZINC000303869560 1009644969 /nfs/dbraw/zinc/64/49/69/1009644969.db2.gz DWJXBYWVPMYOCR-OAHLLOKOSA-N 2 0 363.506 1.704 20 30 FDEDRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=[NH2+])NCC3CCC3)c2)C1 ZINC000304762356 1010489209 /nfs/dbraw/zinc/48/92/09/1010489209.db2.gz VPGFZXRUIPWJDA-GOSISDBHSA-N 2 0 357.502 1.588 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000550032213 542993720 /nfs/dbraw/zinc/99/37/20/542993720.db2.gz HRGQKSZGKBKAQY-LJQANCHMSA-N 2 0 372.513 1.042 20 30 FDEDRP C[NH+]1CCC(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000053963387 523542349 /nfs/dbraw/zinc/54/23/49/523542349.db2.gz ZPIPCIDTHPRCIY-UHFFFAOYSA-N 2 0 355.486 1.870 20 30 FDEDRP CC[NH+]1CCN(CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1 ZINC000160660245 524940509 /nfs/dbraw/zinc/94/05/09/524940509.db2.gz STJUBNVOKKIUIM-UHFFFAOYSA-N 2 0 359.396 1.949 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000106258123 525684663 /nfs/dbraw/zinc/68/46/63/525684663.db2.gz DKUIJKQSGHGBQB-IAGOWNOFSA-N 2 0 352.523 1.825 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](CCCOC)CC2)CC1 ZINC000106338124 525697974 /nfs/dbraw/zinc/69/79/74/525697974.db2.gz PEKIFJHHPTXTDU-UHFFFAOYSA-N 2 0 352.523 1.827 20 30 FDEDRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCC(=O)N(C)CCC#N)CC2)C[C@H](C)O1 ZINC000131425414 525857204 /nfs/dbraw/zinc/85/72/04/525857204.db2.gz QJVPSPJNEXIVPG-CALCHBBNSA-N 2 0 350.507 1.570 20 30 FDEDRP CN(Cc1cnc(N2CCN(C)CC2)nc1)Cc1cc(C#N)ccc1F ZINC000155415794 525857309 /nfs/dbraw/zinc/85/73/09/525857309.db2.gz ORBSDOLEGNKCGO-UHFFFAOYSA-N 2 0 354.433 1.871 20 30 FDEDRP C#CCNC(=O)[C@H](C)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133460289 526061447 /nfs/dbraw/zinc/06/14/47/526061447.db2.gz TWFHVDNQVKRCIT-RBUKOAKNSA-N 2 0 369.513 1.054 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000171978166 526196630 /nfs/dbraw/zinc/19/66/30/526196630.db2.gz WRGMEOJUJTWIBN-QGZVFWFLSA-N 2 0 350.507 1.391 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cn(-c2ccc(OC)cc2)nn1 ZINC000304931101 537599317 /nfs/dbraw/zinc/59/93/17/537599317.db2.gz CHKOWKHRBSNLOD-INIZCTEOSA-N 2 0 357.462 1.165 20 30 FDEDRP C=CCNC(=O)NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000366585031 537789887 /nfs/dbraw/zinc/78/98/87/537789887.db2.gz RAJPXVOEIFLVTP-UHFFFAOYSA-N 2 0 370.497 1.986 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000561413557 545838477 /nfs/dbraw/zinc/83/84/77/545838477.db2.gz OACXBOZMIHDUHN-UHFFFAOYSA-N 2 0 350.507 1.086 20 30 FDEDRP CN(CCC#N)C[C@H](O)C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000566108733 547606911 /nfs/dbraw/zinc/60/69/11/547606911.db2.gz CYMGLTKARFRENU-QGZVFWFLSA-N 2 0 350.532 1.756 20 30 FDEDRP CC[NH+](CC)CCOC1CC[NH+](C[C@@H]2CNc3c(C#N)cnn3C2)CC1 ZINC000576943366 550602526 /nfs/dbraw/zinc/60/25/26/550602526.db2.gz FAHCAYLCDPYKGR-INIZCTEOSA-N 2 0 360.506 1.619 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000577227539 550634754 /nfs/dbraw/zinc/63/47/54/550634754.db2.gz KMCWQUBHNQTSDS-SFHVURJKSA-N 2 0 364.534 1.380 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000579389061 550868497 /nfs/dbraw/zinc/86/84/97/550868497.db2.gz XMKXCZFETACVFM-WMZOPIPTSA-N 2 0 364.534 1.332 20 30 FDEDRP N#CC[C@]1(O)CC[N@H+](Cc2cccc(C[NH+]3CC[C@](O)(CC#N)C3)c2)C1 ZINC000592150632 551950518 /nfs/dbraw/zinc/95/05/18/551950518.db2.gz FKNBKDMRGLVXQP-BGYRXZFFSA-N 2 0 354.454 1.388 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)c1 ZINC000593885638 552217179 /nfs/dbraw/zinc/21/71/79/552217179.db2.gz IPMMDGADEJODSA-HXUWFJFHSA-N 2 0 367.497 1.029 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)C[NH2+]C[C@H]3CCCO3)CC2)c1 ZINC000593918715 552225612 /nfs/dbraw/zinc/22/56/12/552225612.db2.gz GJLKZSLISLXWIC-LJQANCHMSA-N 2 0 356.470 1.407 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@]3(C[NH3+])CCCOC3)CC2)c1 ZINC000602522645 553597994 /nfs/dbraw/zinc/59/79/94/553597994.db2.gz VSISLRBQDINQNL-FQEVSTJZSA-N 2 0 356.470 1.394 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)C(C)C ZINC000627371397 557375287 /nfs/dbraw/zinc/37/52/87/557375287.db2.gz DBAJPWFZERNYSE-SJORKVTESA-N 2 0 362.518 1.202 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)C(C)C ZINC000627371377 557375324 /nfs/dbraw/zinc/37/53/24/557375324.db2.gz COLFGJDCBGIYCJ-GVDBMIGSSA-N 2 0 350.507 1.058 20 30 FDEDRP CC[NH+]=C(NC[C@H](C)N1CC[NH+](CC)CC1)N1CC[C@@]2(CCOC2)C1 ZINC000262004526 672710607 /nfs/dbraw/zinc/71/06/07/672710607.db2.gz VFLRUCYGBGDALC-PKOBYXMFSA-N 2 0 351.539 1.090 20 30 FDEDRP C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000262825369 672851691 /nfs/dbraw/zinc/85/16/91/672851691.db2.gz XZCIQHSHWAENJO-IEBWSBKVSA-N 2 0 367.607 1.807 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1cccs1)N1CCOCC1 ZINC000264085744 672900812 /nfs/dbraw/zinc/90/08/12/672900812.db2.gz JQNYZZNFHUQCCA-JKSUJKDBSA-N 2 0 365.547 1.510 20 30 FDEDRP CC[NH+]1CCN(CCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CC1 ZINC000266967589 673225560 /nfs/dbraw/zinc/22/55/60/673225560.db2.gz CAQUOJMWFXEEDK-UHFFFAOYSA-N 2 0 357.424 1.747 20 30 FDEDRP CCC(CC)[C@H](CNC(NCCN1CCOCC1)=[NH+]C)[NH+]1CCCC1 ZINC000303775371 676542853 /nfs/dbraw/zinc/54/28/53/676542853.db2.gz GTZODKQUBCWOFY-SFHVURJKSA-N 2 0 353.555 1.384 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000303909325 676543918 /nfs/dbraw/zinc/54/39/18/676543918.db2.gz YCQSBHCIXCFQRP-HUUCEWRRSA-N 2 0 353.511 1.632 20 30 FDEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000304753262 676544392 /nfs/dbraw/zinc/54/43/92/676544392.db2.gz KYCFIKZFNCJBQA-HNNXBMFYSA-N 2 0 353.511 1.728 20 30 FDEDRP C[N@H+](CCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)C1CCCC1 ZINC000304764681 676544584 /nfs/dbraw/zinc/54/45/84/676544584.db2.gz YJUKXFWEFRPLBN-UHFFFAOYSA-N 2 0 353.511 1.728 20 30 FDEDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000331268000 676724761 /nfs/dbraw/zinc/72/47/61/676724761.db2.gz DGDIBDJWFLUYGO-UHFFFAOYSA-N 2 0 370.563 1.748 20 30 FDEDRP CC1(C)C[N@@H+](C2(CNC(=O)[C@@H]([NH3+])CCCC#N)CCCCC2)CCO1 ZINC000424145112 680830847 /nfs/dbraw/zinc/83/08/47/680830847.db2.gz MUNIRKDGIOWLNG-INIZCTEOSA-N 2 0 350.507 1.937 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000419567092 680279188 /nfs/dbraw/zinc/27/91/88/680279188.db2.gz HOZLDEOKZSIUKJ-IXDOHACOSA-N 2 0 350.507 1.058 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)C(C)C ZINC000419577998 680282439 /nfs/dbraw/zinc/28/24/39/680282439.db2.gz ZSHCBWPHYJDRAX-JCYILVPMSA-N 2 0 350.507 1.187 20 30 FDEDRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000969705390 770693831 /nfs/dbraw/zinc/69/38/31/770693831.db2.gz XLZUIAHXJYGSCE-RZQQEMMASA-N 2 0 370.497 1.866 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CCC(CC[NH+]3CCN(C)CC3)CC2)CC1 ZINC000363346143 771243820 /nfs/dbraw/zinc/24/38/20/771243820.db2.gz RZVSJLWYFCITKT-UHFFFAOYSA-N 2 0 360.546 1.208 20 30 FDEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3cncn3C2)C[C@H]1C ZINC001104367021 777928157 /nfs/dbraw/zinc/92/81/57/777928157.db2.gz DJWHNKLGRQNJOA-KURKYZTESA-N 2 0 358.486 1.170 20 30 FDEDRP C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)C1=O ZINC001104599817 788831804 /nfs/dbraw/zinc/83/18/04/788831804.db2.gz GUDHMMHQHZPWIC-KZNAEPCWSA-N 2 0 364.534 1.189 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001104625685 788978599 /nfs/dbraw/zinc/97/85/99/788978599.db2.gz YKKJAACBYLOTRI-SOLBZPMBSA-N 2 0 364.534 1.093 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001104873803 794157214 /nfs/dbraw/zinc/15/72/14/794157214.db2.gz GDLMOLYRJMNRBZ-IXDOHACOSA-N 2 0 352.523 1.093 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001104939008 794489236 /nfs/dbraw/zinc/48/92/36/794489236.db2.gz GFMBWSPJUSAWSF-IXDOHACOSA-N 2 0 352.523 1.093 20 30 FDEDRP C=CC[C@@]1(C(=O)NCc2ccc(OCC[NH+](C)C)c(OC)c2)CCC[NH2+]1 ZINC000662690759 806967756 /nfs/dbraw/zinc/96/77/56/806967756.db2.gz FKYBTGRQFVIBQJ-FQEVSTJZSA-N 2 0 361.486 1.950 20 30 FDEDRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)O1 ZINC000978353732 805380019 /nfs/dbraw/zinc/38/00/19/805380019.db2.gz LRWISKISZNGUSW-MRBRGOBGSA-N 2 0 368.481 1.071 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCOC)C2)CC1 ZINC001211729939 809674666 /nfs/dbraw/zinc/67/46/66/809674666.db2.gz MJMBBLOKBDZQCV-LEWJYISDSA-N 2 0 369.509 1.562 20 30 FDEDRP CC(=O)N1CCN(Cc2cccc(NC(=O)[C@H]([NH3+])CCCC#N)c2)CC1 ZINC000424164068 815321728 /nfs/dbraw/zinc/32/17/28/815321728.db2.gz BPJGQEQDGWASHE-GOSISDBHSA-N 2 0 357.458 1.310 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+])C(C)C ZINC000419570036 812023874 /nfs/dbraw/zinc/02/38/74/812023874.db2.gz MZNQWUWEQMBYKM-FGTMMUONSA-N 2 0 364.534 1.530 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)C(C)C ZINC000419570865 812024942 /nfs/dbraw/zinc/02/49/42/812024942.db2.gz OFXIRIXDCAHALA-KZNAEPCWSA-N 2 0 364.534 1.245 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)C(C)C ZINC000422962532 814912956 /nfs/dbraw/zinc/91/29/56/814912956.db2.gz FZYUCOSAIVVCPA-QGZVFWFLSA-N 2 0 362.518 1.156 20 30 FDEDRP Cc1nnc(CNC(=[NH+]C2CC2)N2CC[C@@H](C[NH+]3CCCCC3)C2)n1C ZINC000261955863 817629926 /nfs/dbraw/zinc/62/99/26/817629926.db2.gz ISNQMBMSPBPPID-INIZCTEOSA-N 2 0 359.522 1.539 20 30 FDEDRP C[NH+](C)Cc1ccc(C[NH2+]CCn2cnc(C#N)n2)c2c1OC(F)(F)O2 ZINC000894749546 818398956 /nfs/dbraw/zinc/39/89/56/818398956.db2.gz GALUJRNEVYQANH-UHFFFAOYSA-N 2 0 364.356 1.323 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nc3C)[C@@H]2CC)CC1 ZINC001087840115 822559040 /nfs/dbraw/zinc/55/90/40/822559040.db2.gz IGXXBPFBBAHVMA-VQTJNVASSA-N 2 0 371.529 1.543 20 30 FDEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001088315722 828463677 /nfs/dbraw/zinc/46/36/77/828463677.db2.gz GLIIVKVFYVAXTG-ZCNNSNEGSA-N 2 0 361.530 1.727 20 30 FDEDRP C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[NH+]1CCC(C)CC1 ZINC000330179906 825708178 /nfs/dbraw/zinc/70/81/78/825708178.db2.gz MVQIWRCZMFIQAW-QRQLOZEOSA-N 2 0 366.550 1.988 20 30 FDEDRP C[NH+]=C(NCC1(N(C)C)Cc2ccccc2C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262417041 826528800 /nfs/dbraw/zinc/52/88/00/826528800.db2.gz QIFLLPWAYCPQOB-FQEVSTJZSA-N 3 0 367.541 1.607 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCn4cccn4)CC[C@@H]3C2)CC1 ZINC001088211862 827492451 /nfs/dbraw/zinc/49/24/51/827492451.db2.gz CZRCFILBWRDTBM-UXHICEINSA-N 2 0 369.513 1.009 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105637223 842270965 /nfs/dbraw/zinc/27/09/65/842270965.db2.gz LTZRGOQLKJNJSF-MLYOOKFZSA-N 2 0 361.530 1.460 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105666678 843275187 /nfs/dbraw/zinc/27/51/87/843275187.db2.gz HWYADAPJRYFRNY-LFGUQSLTSA-N 2 0 367.534 1.107 20 30 FDEDRP C[NH+](C)CCCN1C(=O)C[C@H]([NH+]2CCC(c3ccc(C#N)cc3)CC2)C1=O ZINC000899247606 845992919 /nfs/dbraw/zinc/99/29/19/845992919.db2.gz PVTBCNAVVNKZGC-IBGZPJMESA-N 2 0 368.481 1.817 20 30 FDEDRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001076242735 847667037 /nfs/dbraw/zinc/66/70/37/847667037.db2.gz PTDWGZFEHFLKKO-LSTHTHJFSA-N 2 0 352.482 1.933 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC[C@@H]4CCOC4)C[C@H]32)CC1 ZINC001076605450 848556175 /nfs/dbraw/zinc/55/61/75/848556175.db2.gz AYDYSZUSFGDZBO-YZGWKJHDSA-N 2 0 359.514 1.291 20 30 FDEDRP N#Cc1sccc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000906472480 852938281 /nfs/dbraw/zinc/93/82/81/852938281.db2.gz QJPUUQFGLADJFJ-UHFFFAOYSA-N 2 0 355.467 1.957 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])C(C)C ZINC000906645340 853094980 /nfs/dbraw/zinc/09/49/80/853094980.db2.gz KYNAUYALXPNTRN-SFHVURJKSA-N 2 0 358.486 1.899 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000911891440 859095733 /nfs/dbraw/zinc/09/57/33/859095733.db2.gz HAMHBGBASSGUOJ-PMACEKPBSA-N 2 0 357.498 1.996 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)N1CCN(C(=O)C(=C)CC[NH+](C)C)[C@@H](C)[C@H]1C ZINC000912724913 860087665 /nfs/dbraw/zinc/08/76/65/860087665.db2.gz WWOZUSUIAUKYMY-HDICACEKSA-N 2 0 364.534 1.450 20 30 FDEDRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001106877857 881867654 /nfs/dbraw/zinc/86/76/54/881867654.db2.gz BLXYSYPBPDEFFY-UYAOXDASSA-N 2 0 357.498 1.300 20 30 FDEDRP C=C(C[NH+](C)C)C(=O)Nc1cccc2c1CN(C(=O)C(=C)C[NH+](C)C)CC2 ZINC000913844234 869747310 /nfs/dbraw/zinc/74/73/10/869747310.db2.gz SWHWWPZOQGKXAS-UHFFFAOYSA-N 2 0 370.497 1.745 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1)C(C)C ZINC000672729199 871542154 /nfs/dbraw/zinc/54/21/54/871542154.db2.gz JLOCKTUFRFNFTN-SFHVURJKSA-N 2 0 366.550 1.783 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000914192483 871787319 /nfs/dbraw/zinc/78/73/19/871787319.db2.gz YIYLXMZGCFJFLF-UHFFFAOYSA-N 2 0 364.559 1.745 20 30 FDEDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1csc(C#N)c1 ZINC000914390681 872698637 /nfs/dbraw/zinc/69/86/37/872698637.db2.gz JQHDENQYZPVIHP-UHFFFAOYSA-N 2 0 370.544 1.407 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000917091637 882970909 /nfs/dbraw/zinc/97/09/09/882970909.db2.gz AABQSHIQPUIJPH-IRXDYDNUSA-N 2 0 352.548 1.906 20 30 FDEDRP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001034209919 883935276 /nfs/dbraw/zinc/93/52/76/883935276.db2.gz LLXPPSCADODKJQ-ZCNNSNEGSA-N 2 0 361.530 1.727 20 30 FDEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)CC2 ZINC001035707730 886340282 /nfs/dbraw/zinc/34/02/82/886340282.db2.gz KUBAXUSMDKXJDV-MOPGFXCFSA-N 2 0 359.514 1.291 20 30 FDEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129220273 886595637 /nfs/dbraw/zinc/59/56/37/886595637.db2.gz UJEGKGKRDBVSJX-JQHSSLGASA-N 2 0 360.506 1.316 20 30 FDEDRP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@H]2C)C1=O ZINC001106905373 888755473 /nfs/dbraw/zinc/75/54/73/888755473.db2.gz LZPDZKXUACXEKY-KZNAEPCWSA-N 2 0 364.534 1.189 20 30 FDEDRP C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@H]2C)C1=O ZINC001106905372 888755981 /nfs/dbraw/zinc/75/59/81/888755981.db2.gz LZPDZKXUACXEKY-KURKYZTESA-N 2 0 364.534 1.189 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000923375509 889044873 /nfs/dbraw/zinc/04/48/73/889044873.db2.gz NHONJFAEMWGCLI-QWFCFKBJSA-N 2 0 359.470 1.516 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001106907444 889052287 /nfs/dbraw/zinc/05/22/87/889052287.db2.gz LSVPFHINDWEGAS-BRWVUGGUSA-N 2 0 352.523 1.093 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000923412360 889185014 /nfs/dbraw/zinc/18/50/14/889185014.db2.gz XSNJXJBRKOGNER-QUCCMNQESA-N 2 0 359.470 1.388 20 30 FDEDRP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000940750438 893112294 /nfs/dbraw/zinc/11/22/94/893112294.db2.gz HKFYNMMJTSLBLP-QRVBRYPASA-N 2 0 361.530 1.583 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](CC)C[NH+]2CCCC2)CC1 ZINC000672356925 893180339 /nfs/dbraw/zinc/18/03/39/893180339.db2.gz KPYYAOCFZCEQQC-INIZCTEOSA-N 2 0 350.507 1.134 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3ccccc3C#N)C2)CC[N@@H+]1C ZINC001078405509 898747667 /nfs/dbraw/zinc/74/76/67/898747667.db2.gz POBTWCFCENLPOK-LSTHTHJFSA-N 2 0 370.497 1.606 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1c1cccc(F)c1 ZINC001079183679 902127340 /nfs/dbraw/zinc/12/73/40/902127340.db2.gz ODJQEQQNZBGAPB-XUVXKRRUSA-N 2 0 355.457 1.685 20 30 FDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]3COC[C@@H]32)CC1 ZINC001079242099 902224103 /nfs/dbraw/zinc/22/41/03/902224103.db2.gz PXBXBPJYFSFZCO-CEXWTWQISA-N 2 0 359.514 1.454 20 30 FDEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079257164 902287743 /nfs/dbraw/zinc/28/77/43/902287743.db2.gz XKLBNWQNJWMYBL-GBESFXJTSA-N 2 0 359.514 1.433 20 30 FDEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]3COC[C@@H]32)CC1 ZINC001079243275 902340223 /nfs/dbraw/zinc/34/02/23/902340223.db2.gz WEJSCSYQMWYECM-VNTMZGSJSA-N 2 0 373.541 1.679 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](OC)C3CCC3)C[C@H]2C)CC1 ZINC001080997803 906972890 /nfs/dbraw/zinc/97/28/90/906972890.db2.gz KVADERWJCCKYAO-AHRSYUTCSA-N 2 0 361.530 1.583 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCC3CCC3)C[C@H]2OC)CC1 ZINC001082384155 907386545 /nfs/dbraw/zinc/38/65/45/907386545.db2.gz GEHNPUCZRBMTEL-WOJBJXKFSA-N 2 0 361.530 1.727 20 30 FDEDRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C#N)ccc2OC)C1)[NH+](C)C ZINC001082589398 908839155 /nfs/dbraw/zinc/83/91/55/908839155.db2.gz ZQJSAQAEAXGYHR-ZTFGCOKTSA-N 2 0 358.486 1.844 20 30 FDEDRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2C)cc1C#N ZINC001082595880 908932820 /nfs/dbraw/zinc/93/28/20/908932820.db2.gz JPHQHDKUKZIPFF-ATZDWAIDSA-N 2 0 370.497 1.988 20 30 FDEDRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001082861760 910524316 /nfs/dbraw/zinc/52/43/16/910524316.db2.gz NSEDHNFJZYWSRF-IDHHARJASA-N 2 0 358.461 1.976 20 30 FDEDRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001082862049 910526611 /nfs/dbraw/zinc/52/66/11/910526611.db2.gz WWDLQAHZMOHZEU-IDHHARJASA-N 2 0 358.461 1.976 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC[C@H]4CCOC4)C[C@H]32)CC1 ZINC001084851065 917658772 /nfs/dbraw/zinc/65/87/72/917658772.db2.gz LRNPIVNEWXWTDS-DFQSSKMNSA-N 2 0 359.514 1.291 20 30 FDEDRP C[NH+](C)CCCNC(=S)NN=Cc1ccc(OCC[NH+](C)C)cc1 ZINC000731928280 918844884 /nfs/dbraw/zinc/84/48/84/918844884.db2.gz HOHIIRRSJGHUOP-UHFFFAOYSA-N 2 0 351.520 1.377 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnc(C)nc2)CC1 ZINC001085432804 924679814 /nfs/dbraw/zinc/67/98/14/924679814.db2.gz QMRKESJKWXGRBY-WOJBJXKFSA-N 2 0 369.513 1.647 20 30 FDEDRP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129327355 926243333 /nfs/dbraw/zinc/24/33/33/926243333.db2.gz UJLDILZOBLEAJM-SQNIBIBYSA-N 2 0 360.506 1.009 20 30 FDEDRP C[NH+](C)CC#CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC001170994156 945106312 /nfs/dbraw/zinc/10/63/12/945106312.db2.gz WTVJOQKOPHAPNJ-FPOVZHCZSA-N 2 0 355.482 1.206 20 30 FDEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129437726 938424698 /nfs/dbraw/zinc/42/46/98/938424698.db2.gz FVTAUZRIMBDSER-MSOLQXFVSA-N 2 0 360.506 1.462 20 30 FDEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129465968 938429031 /nfs/dbraw/zinc/42/90/31/938429031.db2.gz VMDMKCPEIVLZAC-MSOLQXFVSA-N 2 0 364.538 1.930 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129838073 938535367 /nfs/dbraw/zinc/53/53/67/938535367.db2.gz QEXWFDSZRLHQMR-SQNIBIBYSA-N 2 0 360.506 1.459 20 30 FDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894346 938555472 /nfs/dbraw/zinc/55/54/72/938555472.db2.gz BTNPPFRVFWWNPI-NXHRZFHOSA-N 2 0 360.506 1.459 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@@H]1n1ccnn1 ZINC001129919239 938567855 /nfs/dbraw/zinc/56/78/55/938567855.db2.gz RDSKYDRBXCPJQQ-MSOLQXFVSA-N 2 0 369.473 1.117 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1n1ccnn1 ZINC001130137374 938710566 /nfs/dbraw/zinc/71/05/66/938710566.db2.gz WDLKTSWHYKXZFO-MSOLQXFVSA-N 2 0 360.506 1.462 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1c1cn(C)cn1 ZINC001130610362 939907964 /nfs/dbraw/zinc/90/79/64/939907964.db2.gz KFWHHVUZFARNSN-WSTZPKSXSA-N 2 0 371.529 1.305 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130607989 939920109 /nfs/dbraw/zinc/92/01/09/939920109.db2.gz VQZGVSSNLVCRBJ-CMKODMSKSA-N 2 0 371.529 1.590 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1c1cn(C)cn1 ZINC001130687568 939977211 /nfs/dbraw/zinc/97/72/11/939977211.db2.gz GPVRLVQBWZZOOK-WSTZPKSXSA-N 2 0 371.529 1.592 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1c1cncn1C ZINC001131006138 940432643 /nfs/dbraw/zinc/43/26/43/940432643.db2.gz NAXKUQSPDULKQQ-GUDVDZBRSA-N 2 0 371.529 1.305 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001131082122 940487798 /nfs/dbraw/zinc/48/77/98/940487798.db2.gz JLRFDIJRRGJNRZ-QRVBRYPASA-N 2 0 371.529 1.590 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1c1cncn1C ZINC001131099138 940493119 /nfs/dbraw/zinc/49/31/19/940493119.db2.gz NYZBKTDAJMUDSA-RTBURBONSA-N 2 0 371.529 1.448 20 30 FDEDRP C[NH+](C)CCOc1ccc(/C=C/C(=O)NC2(C#N)CC[NH+](C)CC2)cc1 ZINC000808646597 940560944 /nfs/dbraw/zinc/56/09/44/940560944.db2.gz QAXJSWAKDCMLCR-RMKNXTFCSA-N 2 0 356.470 1.744 20 30 FDEDRP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001131510684 940659921 /nfs/dbraw/zinc/65/99/21/940659921.db2.gz XBJSQZATVKZBOP-QRVBRYPASA-N 2 0 367.509 1.675 20 30 FDEDRP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001131528562 940698966 /nfs/dbraw/zinc/69/89/66/940698966.db2.gz YVPFESSFMYNZRX-UXHICEINSA-N 2 0 366.465 1.957 20 30 FDEDRP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001131580567 940766904 /nfs/dbraw/zinc/76/69/04/940766904.db2.gz XUJBBLCDKYVMTI-AQNXPRMDSA-N 2 0 363.546 1.972 20 30 FDEDRP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196306744 971594743 /nfs/dbraw/zinc/59/47/43/971594743.db2.gz HYJQZWKYOSMACA-IPMKNSEASA-N 2 0 367.534 1.395 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)CO[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000846700844 951470965 /nfs/dbraw/zinc/47/09/65/951470965.db2.gz IZMYEVNHXSRVDT-LJQANCHMSA-N 2 0 356.470 1.407 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ocnc3C)C2)CC1 ZINC001086882138 952913883 /nfs/dbraw/zinc/91/38/83/952913883.db2.gz BTYQENIFISBPLV-FUHWJXTLSA-N 2 0 358.486 1.703 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1c1cnn(C)c1 ZINC001086992993 953025696 /nfs/dbraw/zinc/02/56/96/953025696.db2.gz AOHGDUJVWJSMAM-YTQUADARSA-N 2 0 357.502 1.059 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4ccccn4)C[C@@]3(C)C2)CC1 ZINC001092300021 954747457 /nfs/dbraw/zinc/74/74/57/954747457.db2.gz PHZOXAPPXNQDDE-KNQAVFIVSA-N 2 0 366.509 1.707 20 30 FDEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092615710 955824892 /nfs/dbraw/zinc/82/48/92/955824892.db2.gz NTKBXGDQJQJONF-AFYVEPGGSA-N 2 0 363.546 1.994 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3cc(C)ncn3)C[C@H]2C)CC1 ZINC001093224458 957855761 /nfs/dbraw/zinc/85/57/61/957855761.db2.gz WVBJVBDITVRGDI-VQIMIIECSA-N 2 0 369.513 1.314 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C(C)C)C[C@H]1O ZINC001093475304 958251955 /nfs/dbraw/zinc/25/19/55/958251955.db2.gz XENGORZMKPPXSU-WIRSXHRWSA-N 2 0 361.530 1.624 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C(C)C)C[C@H]1O ZINC001093452966 958260628 /nfs/dbraw/zinc/26/06/28/958260628.db2.gz RLJVSNPUCXNDDR-ANTGDGSKSA-N 2 0 366.465 1.547 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F ZINC001093672723 958513854 /nfs/dbraw/zinc/51/38/54/958513854.db2.gz BKVINIJPHVRFHS-BJZITVGISA-N 2 0 358.461 1.976 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3ccns3)[C@H](C)C2)CC1 ZINC001094239846 960158141 /nfs/dbraw/zinc/15/81/41/960158141.db2.gz HQNGCFCTMAVOMH-NVXWUHKLSA-N 2 0 360.527 1.672 20 30 FDEDRP CC[NH+](CC)CCN(CC[NH3+])C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173425958 962136273 /nfs/dbraw/zinc/13/62/73/962136273.db2.gz HSSQQEBSPDTFOY-UHFFFAOYSA-N 2 0 371.529 1.765 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H](C#N)Cc1ccc(O)cc1 ZINC001183610640 963141823 /nfs/dbraw/zinc/14/18/23/963141823.db2.gz WKMQNJLCOPAOMY-SFHVURJKSA-N 2 0 360.502 1.806 20 30 FDEDRP C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001178521686 964270686 /nfs/dbraw/zinc/27/06/86/964270686.db2.gz BJAIDIDEQGUERN-DLBZAZTESA-N 2 0 352.523 1.285 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001178527017 964277417 /nfs/dbraw/zinc/27/74/17/964277417.db2.gz HOWNPEZYMFQKNQ-OKZBNKHCSA-N 2 0 366.550 1.674 20 30 FDEDRP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001189136448 966787710 /nfs/dbraw/zinc/78/77/10/966787710.db2.gz YGVRBJGGNOCARJ-QKLQHJQFSA-N 2 0 367.509 1.934 20 30 FDEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001189391036 966935047 /nfs/dbraw/zinc/93/50/47/966935047.db2.gz OGPLWDGJPCJDSS-JENIJYKNSA-N 2 0 359.518 1.946 20 30 FDEDRP COc1ccc([C@H](CNC(=O)C#CC2CC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000852853986 967659389 /nfs/dbraw/zinc/65/93/89/967659389.db2.gz BINHSPQVGHBYGB-FQEVSTJZSA-N 2 0 355.482 1.951 20 30 FDEDRP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc21 ZINC000852862534 967668548 /nfs/dbraw/zinc/66/85/48/967668548.db2.gz ACBJMWJVCRURFZ-UHFFFAOYSA-N 2 0 356.426 1.098 20 30 FDEDRP CC1(C)C[N@@H+](C2(CNC(=O)C#CC3CC[NH2+]CC3)CCCCC2)CCO1 ZINC000852866070 967671607 /nfs/dbraw/zinc/67/16/07/967671607.db2.gz CINFEMDDQKOTKZ-UHFFFAOYSA-N 2 0 361.530 1.919 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCCCCOC)C[C@H]32)CC1 ZINC001190318721 967732266 /nfs/dbraw/zinc/73/22/66/967732266.db2.gz TWNPFJMDGGEZRV-VQTJNVASSA-N 2 0 361.530 1.681 20 30 FDEDRP Cc1cccc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1C#N ZINC000867589425 976445595 /nfs/dbraw/zinc/44/55/95/976445595.db2.gz GZSZEJLCWCMEPV-HZPDHXFCSA-N 2 0 364.515 1.227 20 30 FDEDRP Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867589927 976447181 /nfs/dbraw/zinc/44/71/81/976447181.db2.gz SPZFCZQZDAXHKK-IAGOWNOFSA-N 2 0 364.515 1.227 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000849106037 977317536 /nfs/dbraw/zinc/31/75/36/977317536.db2.gz PVSFJUGOMZVQBC-GOSISDBHSA-N 2 0 351.539 1.281 20 30 FDEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883586673 982286786 /nfs/dbraw/zinc/28/67/86/982286786.db2.gz QDNFTGKIBVEKCE-JLSDUUJJSA-N 2 0 354.458 1.204 20 30 FDEDRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884406166 983141518 /nfs/dbraw/zinc/14/15/18/983141518.db2.gz NHWZIDQIKCQLRL-LNSLMDJYSA-N 2 0 366.509 1.901 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)CC1 ZINC000875247710 991189329 /nfs/dbraw/zinc/18/93/29/991189329.db2.gz KYWTUTVPFGRDBU-UHFFFAOYSA-N 2 0 350.507 1.391 20 30 FDEDRP C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875555434 991730884 /nfs/dbraw/zinc/73/08/84/991730884.db2.gz SRSGFERLPGQRJA-BSDSXHPESA-N 2 0 352.523 1.348 20 30 FDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000876777574 992902887 /nfs/dbraw/zinc/90/28/87/992902887.db2.gz RQCKJGQDUMKJJQ-QGZVFWFLSA-N 2 0 351.878 1.729 20 30 FDEDRP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000968861216 1015772004 /nfs/dbraw/zinc/77/20/04/1015772004.db2.gz JWZIZUDDHWMHNW-ZCNNSNEGSA-N 2 0 361.530 1.727 20 30 FDEDRP C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1OC ZINC000469988658 993926242 /nfs/dbraw/zinc/92/62/42/993926242.db2.gz DDQDAWVKEQSOFY-GOSISDBHSA-N 2 0 373.497 1.904 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCN1c2ccccc2OCC1=O ZINC000267451763 999339529 /nfs/dbraw/zinc/33/95/29/999339529.db2.gz RSBGKFZGBYNBDU-OAHLLOKOSA-N 2 0 359.474 1.191 20 30 FDEDRP C[C@H]([NH2+]C(C)(C)CNC(=[NH2+])NCCCN1CCOCC1)c1ccccc1 ZINC000267457904 999341421 /nfs/dbraw/zinc/34/14/21/999341421.db2.gz UBOMXHOSIBRSNQ-KRWDZBQOSA-N 2 0 361.534 1.742 20 30 FDEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000271686788 999725156 /nfs/dbraw/zinc/72/51/56/999725156.db2.gz QMDWDCOHQARBSW-LPHOPBHVSA-N 2 0 358.486 1.682 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000284862210 999874626 /nfs/dbraw/zinc/87/46/26/999874626.db2.gz FPTMWVYDUCZMAG-UHFFFAOYSA-N 2 0 358.486 1.001 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000190537100 1003777907 /nfs/dbraw/zinc/77/79/07/1003777907.db2.gz XGQOVIIFQVBIBT-VQTJNVASSA-N 3 0 373.545 1.666 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](CC#N)C(F)(F)F ZINC000932916736 1005242970 /nfs/dbraw/zinc/24/29/70/1005242970.db2.gz VHZKNEYQFDTFSR-UONOGXRCSA-N 2 0 363.428 1.888 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)C(C)C ZINC000642769892 1007891100 /nfs/dbraw/zinc/89/11/00/1007891100.db2.gz UCLNIGFABRGIBO-IRXDYDNUSA-N 2 0 350.507 1.060 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000303771102 1009574523 /nfs/dbraw/zinc/57/45/23/1009574523.db2.gz CKKLPWRDQNUQAB-IBGZPJMESA-N 2 0 359.518 1.321 20 30 FDEDRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)CC1 ZINC000303880338 1009671065 /nfs/dbraw/zinc/67/10/65/1009671065.db2.gz HCRIZPJNUZZXEM-HNNXBMFYSA-N 2 0 363.506 1.134 20 30 FDEDRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000304496190 1010226407 /nfs/dbraw/zinc/22/64/07/1010226407.db2.gz NQBFDPNAOITJOR-DLBZAZTESA-N 2 0 373.501 1.357 20 30 FDEDRP COc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N ZINC000961850589 1012941919 /nfs/dbraw/zinc/94/19/19/1012941919.db2.gz ZATKKAGUZVIIFU-WLHONDITSA-N 2 0 370.497 1.891 20 30 FDEDRP C=CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000556963795 544225496 /nfs/dbraw/zinc/22/54/96/544225496.db2.gz IXRDRCSWHKCEFS-PMACEKPBSA-N 2 0 370.497 1.972 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000557731376 544337539 /nfs/dbraw/zinc/33/75/39/544337539.db2.gz NUQRHKLQRAGTIM-GOSISDBHSA-N 2 0 362.518 1.230 20 30 FDEDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(C#N)c1 ZINC000330489884 259147037 /nfs/dbraw/zinc/14/70/37/259147037.db2.gz MQBNBQVSJLUCQV-UHFFFAOYSA-N 2 0 350.488 1.205 20 30 FDEDRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)NC1CC[NH+](C)CC1 ZINC000328631696 523042154 /nfs/dbraw/zinc/04/21/54/523042154.db2.gz RIFCOVXNGPYFQB-MAUKXSAKSA-N 2 0 362.522 1.743 20 30 FDEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N(C)Cc1c(F)cccc1Cl ZINC000088754758 524467488 /nfs/dbraw/zinc/46/74/88/524467488.db2.gz DWVPZKMOBRLCBO-CYBMUJFWSA-N 2 0 355.889 1.732 20 30 FDEDRP C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000088818742 524474730 /nfs/dbraw/zinc/47/47/30/524474730.db2.gz FQBNRFNMPBFMJM-IBGZPJMESA-N 2 0 369.517 1.125 20 30 FDEDRP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174729236 524709832 /nfs/dbraw/zinc/70/98/32/524709832.db2.gz MMTPYOUIMPHINU-LJQANCHMSA-N 2 0 371.529 1.891 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)c(OC)c1OC ZINC000104165325 525397699 /nfs/dbraw/zinc/39/76/99/525397699.db2.gz YCQWOPSMUODOTA-AWEZNQCLSA-N 2 0 350.463 1.601 20 30 FDEDRP COC[C@H](C)NC(=[NH2+])NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000104170818 525398023 /nfs/dbraw/zinc/39/80/23/525398023.db2.gz ICHQFHFTIKXBBC-SFHVURJKSA-N 2 0 361.534 1.836 20 30 FDEDRP [NH2+]=C(NCCCN1CCOCC1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000104155686 525398652 /nfs/dbraw/zinc/39/86/52/525398652.db2.gz HUYAQOCZKFQLLC-INIZCTEOSA-N 2 0 365.547 1.512 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(OC2CCOCC2)c1 ZINC000267398011 536976079 /nfs/dbraw/zinc/97/60/79/536976079.db2.gz FGMDSELYMGXOEY-MRXNPFEDSA-N 2 0 361.490 1.528 20 30 FDEDRP N#Cc1csc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000267701460 536989318 /nfs/dbraw/zinc/98/93/18/536989318.db2.gz GDONAOGALHGLTQ-UHFFFAOYSA-N 2 0 355.467 1.957 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH+]3CCN(C)CC3)CCCCCC2)CC1 ZINC000364778086 537396200 /nfs/dbraw/zinc/39/62/00/537396200.db2.gz IMJFMOQHAXBAAC-UHFFFAOYSA-N 2 0 374.573 1.788 20 30 FDEDRP C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@@H]1[NH+](C)C ZINC000330226424 537652209 /nfs/dbraw/zinc/65/22/09/537652209.db2.gz OUALNAWYZOZSKL-BGTYHANMSA-N 2 0 352.523 1.550 20 30 FDEDRP C=CCCCN(C)C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420202218 538254388 /nfs/dbraw/zinc/25/43/88/538254388.db2.gz JAFHNZHRUQEPFV-UHFFFAOYSA-N 2 0 372.513 1.521 20 30 FDEDRP N#Cc1c2c(cnc1NCCC[NH+]1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC000425234417 538392885 /nfs/dbraw/zinc/39/28/85/538392885.db2.gz ZONZQTFRZUTTEO-UHFFFAOYSA-N 2 0 362.481 2.461 20 30 FDEDRP CC[NH+]1CCC(N2CCCN(S(=O)(=O)CC3(CC#N)CC3)CC2)CC1 ZINC000570713926 549386164 /nfs/dbraw/zinc/38/61/64/549386164.db2.gz CITUQCCFSIVWRW-UHFFFAOYSA-N 2 0 368.547 1.502 20 30 FDEDRP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000573721955 550200701 /nfs/dbraw/zinc/20/07/01/550200701.db2.gz QRKMLJSEOHPOHK-KRWDZBQOSA-N 2 0 351.539 1.533 20 30 FDEDRP CC(=O)N1CCC[N@H+](C[C@H]2CCCN(Cc3ccc(C#N)cn3)C2)CC1 ZINC000575327478 550453690 /nfs/dbraw/zinc/45/36/90/550453690.db2.gz XLLNRGVFYGGUPV-LJQANCHMSA-N 2 0 355.486 1.719 20 30 FDEDRP C[NH+]1CCC(C[NH2+][C@H]2CCc3ccc(C#N)cc32)(N2CCOCC2)CC1 ZINC000582951765 551284777 /nfs/dbraw/zinc/28/47/77/551284777.db2.gz CDPDQDHMMDWMHT-FQEVSTJZSA-N 2 0 354.498 1.932 20 30 FDEDRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)C2)CC1 ZINC000591736987 551905096 /nfs/dbraw/zinc/90/50/96/551905096.db2.gz ZIFRZAMJKOBBAH-UYAOXDASSA-N 2 0 372.513 1.250 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@H]3CCCC[NH2+]3)CC2)c1 ZINC000593710408 552179645 /nfs/dbraw/zinc/17/96/45/552179645.db2.gz GDSFPPWQUQRSNU-LJQANCHMSA-N 2 0 355.486 1.964 20 30 FDEDRP CC(C)[C@@H](C[NH2+]C[C@H](O)COc1ccccc1C#N)N1CC[NH+](C)CC1 ZINC000600724274 553307730 /nfs/dbraw/zinc/30/77/30/553307730.db2.gz GOTAZFFUMCBHKH-RBUKOAKNSA-N 2 0 360.502 1.160 20 30 FDEDRP C[NH+](C)CCCS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000601320853 553375577 /nfs/dbraw/zinc/37/55/77/553375577.db2.gz DVOPHLOXVBEEMX-UHFFFAOYSA-N 2 0 352.504 1.203 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602844322 553649449 /nfs/dbraw/zinc/64/94/49/553649449.db2.gz AMQDUEQXYWDGHL-LJQANCHMSA-N 2 0 352.438 1.905 20 30 FDEDRP C=C(CNC(=O)[C@H]1CCC[NH+]1CCC)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC000620747886 555978747 /nfs/dbraw/zinc/97/87/47/555978747.db2.gz IEQMGCJRTNZFQH-QZTJIDSGSA-N 2 0 364.534 1.524 20 30 FDEDRP CC[C@@H]1CN(C(=O)NCc2cn3c(n2)CCCC3)C[C@H]1N1CCOCC1 ZINC000330273797 568072026 /nfs/dbraw/zinc/07/20/26/568072026.db2.gz ZSRXUTOCFRDSCP-NVXWUHKLSA-N 2 0 361.490 1.676 20 30 FDEDRP C[NH+]=C(NCCOc1ccc(F)c(F)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000127816443 671772182 /nfs/dbraw/zinc/77/21/82/671772182.db2.gz TYPDYPKAOQPFKV-CQSZACIVSA-N 2 0 350.413 1.865 20 30 FDEDRP [NH2+]=C(NCCCCCCNC(=[NH2+])N1CCSCC1)N1CCSCC1 ZINC000164311620 672027974 /nfs/dbraw/zinc/02/79/74/672027974.db2.gz ZRGGSLBMVXYDAA-UHFFFAOYSA-N 2 0 372.608 1.274 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(F)(F)CNC(=O)OC(C)(C)C ZINC000186871356 672276948 /nfs/dbraw/zinc/27/69/48/672276948.db2.gz GRHZTZDZOUROGZ-LBPRGKRZSA-N 2 0 363.453 1.535 20 30 FDEDRP C[NH+]=C(NC[C@]1(N(C)C)CCSC1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262762004 672843992 /nfs/dbraw/zinc/84/39/92/672843992.db2.gz GFIOZQYYGXMJEU-YCXXCVGLSA-N 2 0 353.580 1.604 20 30 FDEDRP C[NH+]1CCC(CNC(=[NH2+])NC2CCCCCC2)(N2CCOCC2)CC1 ZINC000263202929 672866591 /nfs/dbraw/zinc/86/65/91/672866591.db2.gz XPRQGGBPCPTOPO-UHFFFAOYSA-N 2 0 351.539 1.410 20 30 FDEDRP C=C[C@H](CO)[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000290002466 676186656 /nfs/dbraw/zinc/18/66/56/676186656.db2.gz ZFXRSZJIYJVFGJ-GDBMZVCRSA-N 2 0 355.504 1.114 20 30 FDEDRP C[C@@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCCC1 ZINC000303869599 676543315 /nfs/dbraw/zinc/54/33/15/676543315.db2.gz DYXYXCXGHSDAST-HNNXBMFYSA-N 2 0 353.511 1.586 20 30 FDEDRP CC1CC[NH+](CCNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000303896796 676543725 /nfs/dbraw/zinc/54/37/25/676543725.db2.gz QFIDFGZSROVIFX-UHFFFAOYSA-N 2 0 353.511 1.586 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000303911468 676544015 /nfs/dbraw/zinc/54/40/15/676544015.db2.gz ZQDHJJMFRINSHQ-SFHVURJKSA-N 2 0 353.555 1.240 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NCCC2CC[NH+](CC)CC2)CC1 ZINC000304743871 676544111 /nfs/dbraw/zinc/54/41/11/676544111.db2.gz DKHYIUFVWNRQBI-UHFFFAOYSA-N 2 0 353.511 1.634 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000304750305 676544426 /nfs/dbraw/zinc/54/44/26/676544426.db2.gz IGGBUDXKVVKEFI-CABCVRRESA-N 2 0 355.527 1.924 20 30 FDEDRP CC1CC[NH+](CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000330183390 676677022 /nfs/dbraw/zinc/67/70/22/676677022.db2.gz PXFXZCVKVHMZKA-QZTJIDSGSA-N 2 0 352.523 1.600 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[N@@H+](C3CCOCC3)CC2)CC1 ZINC000363250896 676943710 /nfs/dbraw/zinc/94/37/10/676943710.db2.gz VPXQHCXAAVJWNM-UHFFFAOYSA-N 2 0 350.507 1.533 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)CC1(C#N)CCCC1 ZINC000498910567 687878372 /nfs/dbraw/zinc/87/83/72/687878372.db2.gz ZWNHHZBUKDIPHF-UHFFFAOYSA-N 2 0 358.552 1.606 20 30 FDEDRP C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001164921623 721848352 /nfs/dbraw/zinc/84/83/52/721848352.db2.gz OPQYKBXDOFSGQS-RTBURBONSA-N 2 0 354.502 1.204 20 30 FDEDRP C=CCCn1cc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)nn1 ZINC000657389494 782500604 /nfs/dbraw/zinc/50/06/04/782500604.db2.gz YKUBOKMDQQDESF-UHFFFAOYSA-N 2 0 362.522 1.571 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001104289531 773583549 /nfs/dbraw/zinc/58/35/49/773583549.db2.gz LXYWUWNHBDZPAP-IXDOHACOSA-N 2 0 364.534 1.236 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1c1ccccc1 ZINC001211688122 805938679 /nfs/dbraw/zinc/93/86/79/805938679.db2.gz PKVGRZSQUBCXRC-VQTJNVASSA-N 2 0 357.498 1.869 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001104932710 794451016 /nfs/dbraw/zinc/45/10/16/794451016.db2.gz IUICKFUMMVGNLZ-FGTMMUONSA-N 2 0 366.550 1.483 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCn3cccn3)C2)CC1 ZINC001105062225 795107022 /nfs/dbraw/zinc/10/70/22/795107022.db2.gz HWEVEGQUTMLNJQ-UYAOXDASSA-N 2 0 371.529 1.303 20 30 FDEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001105066665 795137720 /nfs/dbraw/zinc/13/77/20/795137720.db2.gz AYYMKQJJJJBKOU-VAMGGRTRSA-N 2 0 363.546 1.831 20 30 FDEDRP CC[N@@H+]1CCC[C@H](NC(=O)N(C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000330239018 795418707 /nfs/dbraw/zinc/41/87/07/795418707.db2.gz IBHCYWDPTDRRIQ-PZJWPPBQSA-N 2 0 374.529 1.954 20 30 FDEDRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3C#N)C2)O1 ZINC001026916080 800172477 /nfs/dbraw/zinc/17/24/77/800172477.db2.gz AADYYXJKSZZOTI-GPMSIDNRSA-N 2 0 356.470 1.215 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000664020353 810174488 /nfs/dbraw/zinc/17/44/88/810174488.db2.gz RDNLZVOUISZAAV-GOSISDBHSA-N 2 0 350.507 1.533 20 30 FDEDRP C[NH+]=C(NCc1cccnc1-n1ccnc1C)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261931064 811346463 /nfs/dbraw/zinc/34/64/63/811346463.db2.gz BJIIUCFFADJUOR-YJBOKZPZSA-N 2 0 369.517 1.969 20 30 FDEDRP C=C(C)CN(C)C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420208992 813556265 /nfs/dbraw/zinc/55/62/65/813556265.db2.gz SUOVZQTVGGHXCF-UHFFFAOYSA-N 2 0 358.486 1.131 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn(CCC#N)c1C ZINC000896042316 823976306 /nfs/dbraw/zinc/97/63/06/823976306.db2.gz GYMSUWNXGPFTGH-QGZVFWFLSA-N 2 0 360.506 1.593 20 30 FDEDRP O=C(N[C@@H]1CC[NH+](C2CC2)C1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000330207804 825733441 /nfs/dbraw/zinc/73/34/41/825733441.db2.gz ANUBNVOZYISTID-NSHGMRRFSA-N 2 0 372.513 1.610 20 30 FDEDRP C[N@@H+]1CC[C@]2(CCN(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)C2)C1 ZINC000330212827 825736254 /nfs/dbraw/zinc/73/62/54/825736254.db2.gz KMFYOFOATJPYFF-HBFSDRIKSA-N 2 0 364.534 1.696 20 30 FDEDRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000330234068 825749066 /nfs/dbraw/zinc/74/90/66/825749066.db2.gz SKQBZTYCSGAFEO-UHOSZYNNSA-N 2 0 364.534 1.696 20 30 FDEDRP C#CCNC(=O)c1ccc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nc1 ZINC000301847783 827676580 /nfs/dbraw/zinc/67/65/80/827676580.db2.gz NQXTYMJIQMSUHE-DFNIBXOVSA-N 2 0 367.497 1.192 20 30 FDEDRP C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000451606248 830401190 /nfs/dbraw/zinc/40/11/90/830401190.db2.gz NAACAIBEBHIAQU-UXHICEINSA-N 2 0 357.498 1.962 20 30 FDEDRP C[NH+]=C(NCCNC(=O)c1ccc(O)cc1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262782788 831420122 /nfs/dbraw/zinc/42/01/22/831420122.db2.gz LLYQKLCQBCTPGA-ALOPSCKCSA-N 2 0 373.501 1.302 20 30 FDEDRP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262790054 831452975 /nfs/dbraw/zinc/45/29/75/831452975.db2.gz NRPQYEVILPOQLU-GVDBMIGSSA-N 2 0 364.534 1.610 20 30 FDEDRP C[NH+]=C(NCc1c(C)nn(C)c1C)NCC1([NH+]2CCCC2)CCOCC1 ZINC000262800364 831502668 /nfs/dbraw/zinc/50/26/68/831502668.db2.gz QXKGRWXPVKBPKS-UHFFFAOYSA-N 2 0 362.522 1.347 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105666677 843274322 /nfs/dbraw/zinc/27/43/22/843274322.db2.gz HWYADAPJRYFRNY-JYBIWHBTSA-N 2 0 367.534 1.107 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000478017380 843509464 /nfs/dbraw/zinc/50/94/64/843509464.db2.gz SPTHQJCRACCUSD-OXQOHEQNSA-N 2 0 364.534 1.380 20 30 FDEDRP N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)cc1 ZINC001077444062 861576751 /nfs/dbraw/zinc/57/67/51/861576751.db2.gz JAKZUIHSASSTEF-VAMGGRTRSA-N 2 0 368.481 1.094 20 30 FDEDRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001076462498 848213911 /nfs/dbraw/zinc/21/39/11/848213911.db2.gz XEKFZYLLTPDGDS-HSALFYBXSA-N 2 0 352.482 1.933 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](C[C@H]4CCCCO4)C[C@H]32)CC1 ZINC001076605480 848555672 /nfs/dbraw/zinc/55/56/72/848555672.db2.gz BXKSOSKVBONMGA-XUVXKRRUSA-N 2 0 359.514 1.433 20 30 FDEDRP Cc1cc(C#N)cc(C)c1CS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000914059577 870513812 /nfs/dbraw/zinc/51/38/12/870513812.db2.gz IPZOUSGDMJGTFD-UHFFFAOYSA-N 2 0 366.531 1.430 20 30 FDEDRP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001106138854 870788091 /nfs/dbraw/zinc/78/80/91/870788091.db2.gz GSURDAPJSCYXAM-DAXOMENPSA-N 2 0 370.335 1.921 20 30 FDEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001106357741 874895913 /nfs/dbraw/zinc/89/59/13/874895913.db2.gz MIUTYDXDDIFVKE-QRVBRYPASA-N 2 0 351.535 1.994 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000917091633 882970481 /nfs/dbraw/zinc/97/04/81/882970481.db2.gz AABQSHIQPUIJPH-DLBZAZTESA-N 2 0 352.548 1.906 20 30 FDEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001106570913 875999080 /nfs/dbraw/zinc/99/90/80/875999080.db2.gz FJOAREAMPGZXQH-CEXWTWQISA-N 2 0 351.535 1.995 20 30 FDEDRP C[N@H+](Cc1ccccc1)[C@H](CNC(=[NH2+])NCCCN1CCOCC1)C1CC1 ZINC000187056611 887734554 /nfs/dbraw/zinc/73/45/54/887734554.db2.gz DKKXJDWNVVHVGV-HXUWFJFHSA-N 2 0 373.545 1.524 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3cccc(C)c3)C[C@@H]2O)CC1 ZINC001084088044 913360232 /nfs/dbraw/zinc/36/02/32/913360232.db2.gz NHZGPJZELYGYNW-WMQCIHAUSA-N 2 0 369.509 1.563 20 30 FDEDRP CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212437019 897932754 /nfs/dbraw/zinc/93/27/54/897932754.db2.gz WBNYEIZJJGFYMF-QRVBRYPASA-N 2 0 358.486 1.460 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]2O)CC1 ZINC001078227281 898429453 /nfs/dbraw/zinc/42/94/53/898429453.db2.gz SJRHDWXZHGUFFL-WOJBJXKFSA-N 2 0 359.514 1.383 20 30 FDEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001107037461 900018126 /nfs/dbraw/zinc/01/81/26/900018126.db2.gz IVVNUOQFMAXADN-ZHALLVOQSA-N 2 0 364.534 1.093 20 30 FDEDRP C=CCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079270267 902328040 /nfs/dbraw/zinc/32/80/40/902328040.db2.gz JYGJYYKOJXIERQ-GBESFXJTSA-N 2 0 361.530 1.844 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1ccccc1F ZINC001079295421 902398790 /nfs/dbraw/zinc/39/87/90/902398790.db2.gz GFQBGFLBOLSUAS-CMKODMSKSA-N 2 0 355.457 1.685 20 30 FDEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](NC(=O)C(=C)C[NH+](C)C)C1CCCCC1 ZINC000764503830 904837401 /nfs/dbraw/zinc/83/74/01/904837401.db2.gz AIGWGKZMLQTFHO-GOSISDBHSA-N 2 0 364.534 1.403 20 30 FDEDRP C=CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107438895 904915732 /nfs/dbraw/zinc/91/57/32/904915732.db2.gz MNJFJRDSJKOCAM-YLJYHZDGSA-N 2 0 362.518 1.134 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3C)C[C@H]2C)CC1 ZINC001080998078 906973990 /nfs/dbraw/zinc/97/39/90/906973990.db2.gz RLWNBGUGWXTXCW-OXQOHEQNSA-N 2 0 354.498 1.672 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ncccc3C)C[C@H]2C)CC1 ZINC001080998127 906976034 /nfs/dbraw/zinc/97/60/34/906976034.db2.gz UBZHMJYRKGSHMM-YLJYHZDGSA-N 2 0 354.498 1.672 20 30 FDEDRP C#CCN(C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CC[NH+](C)CC1 ZINC000921533874 907640201 /nfs/dbraw/zinc/64/02/01/907640201.db2.gz YMGKYJFLYFDFGW-MOPGFXCFSA-N 2 0 362.518 1.103 20 30 FDEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC001082558421 908600831 /nfs/dbraw/zinc/60/08/31/908600831.db2.gz PKXPESMWRUMVFL-XYPHTWIQSA-N 2 0 355.910 1.819 20 30 FDEDRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]2C)cc1C#N ZINC001082740777 909935847 /nfs/dbraw/zinc/93/58/47/909935847.db2.gz GGNBLSHPKXKTMO-JTDSTZFVSA-N 2 0 370.497 1.988 20 30 FDEDRP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403577 911185729 /nfs/dbraw/zinc/18/57/29/911185729.db2.gz NKIMXCWSEJXYNL-KZNAEPCWSA-N 2 0 353.507 1.267 20 30 FDEDRP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C[C@@H]21 ZINC001085040104 919990924 /nfs/dbraw/zinc/99/09/24/919990924.db2.gz LVQZNAGKEPTHEA-CGXNFDGLSA-N 2 0 351.494 1.888 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccccn2)CCC1=NNC(=S)NCCC[NH+](C)C ZINC000734364957 923260829 /nfs/dbraw/zinc/26/08/29/923260829.db2.gz NBNGCDJGHVGGLF-OAHLLOKOSA-N 2 0 362.547 1.695 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001086090690 925950746 /nfs/dbraw/zinc/95/07/46/925950746.db2.gz MNZYCZXKGMQXKO-SKWUIDRYSA-N 2 0 370.497 1.891 20 30 FDEDRP COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N ZINC001086370913 926882123 /nfs/dbraw/zinc/88/21/23/926882123.db2.gz FZYTZTFSJHSOMF-YCEFEEMOSA-N 2 0 370.497 1.891 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(C#N)cn1 ZINC000780658535 930793239 /nfs/dbraw/zinc/79/32/39/930793239.db2.gz QOCLLTOIVZGZBJ-SFHVURJKSA-N 2 0 358.490 1.511 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@@H]1n1ccnn1 ZINC001129892064 938542609 /nfs/dbraw/zinc/54/26/09/938542609.db2.gz FSGLAIMBHLXDDF-QRVBRYPASA-N 2 0 370.501 1.050 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129900073 938559826 /nfs/dbraw/zinc/55/98/26/938559826.db2.gz ZPIYACLDJOMDHH-KSZLIROESA-N 2 0 360.506 1.460 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001129980410 938595450 /nfs/dbraw/zinc/59/54/50/938595450.db2.gz JUSGTBUFICYFBU-FJIDUMEYSA-N 2 0 360.506 1.316 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001130030472 938631955 /nfs/dbraw/zinc/63/19/55/938631955.db2.gz BWMJVVPBFKARHZ-SQNIBIBYSA-N 2 0 360.506 1.459 20 30 FDEDRP CCCCCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130125388 938696171 /nfs/dbraw/zinc/69/61/71/938696171.db2.gz LENFCPAJCZZKJN-MSOLQXFVSA-N 2 0 362.522 1.686 20 30 FDEDRP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C(C)C)[NH+](C)C)n2)O1 ZINC001130787188 940154919 /nfs/dbraw/zinc/15/49/19/940154919.db2.gz DDDGHEANPMUFBO-LZWOXQAQSA-N 2 0 364.494 1.003 20 30 FDEDRP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](CC)[NH+](C)C)n2)O1 ZINC001130809075 940185091 /nfs/dbraw/zinc/18/50/91/940185091.db2.gz GCRWSIJDWZZARR-SOUVJXGZSA-N 2 0 364.494 1.147 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1cncn1C ZINC001130994094 940416033 /nfs/dbraw/zinc/41/60/33/940416033.db2.gz FXOPNFRFHOPXQD-RCCFBDPRSA-N 2 0 357.502 1.222 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1c1cncn1C ZINC001131003517 940429560 /nfs/dbraw/zinc/42/95/60/940429560.db2.gz IDTVQVMWRDBOCY-BRWVUGGUSA-N 2 0 363.481 1.007 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1c1cncn1C ZINC001131003811 940429853 /nfs/dbraw/zinc/42/98/53/940429853.db2.gz QWWHHINVYMCPGG-BRWVUGGUSA-N 2 0 365.497 1.560 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1c1cncn1C ZINC001131008014 940434513 /nfs/dbraw/zinc/43/45/13/940434513.db2.gz RVVUCAVSZYAHSN-GUDVDZBRSA-N 2 0 371.529 1.305 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1c1cncn1C ZINC001131022834 940456490 /nfs/dbraw/zinc/45/64/90/940456490.db2.gz ILAVVNXOFULGSU-QRVBRYPASA-N 2 0 371.529 1.448 20 30 FDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131121064 940506436 /nfs/dbraw/zinc/50/64/36/940506436.db2.gz LAKCNWBOQUOOBC-RCCFBDPRSA-N 2 0 359.518 1.755 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1c1cncn1C ZINC001131125531 940507760 /nfs/dbraw/zinc/50/77/60/940507760.db2.gz FITRALBCMILFST-RTBURBONSA-N 2 0 371.529 1.594 20 30 FDEDRP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001131564498 940740508 /nfs/dbraw/zinc/74/05/08/940740508.db2.gz MANOJJSDAXGPIG-QUCCMNQESA-N 2 0 363.546 1.973 20 30 FDEDRP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001131604988 940774723 /nfs/dbraw/zinc/77/47/23/940774723.db2.gz QZGLHUNOWRGWQA-CTNGQTDRSA-N 2 0 361.530 1.871 20 30 FDEDRP CN(CCC#N)C[C@@H](O)CNc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000819468848 943604292 /nfs/dbraw/zinc/60/42/92/943604292.db2.gz WCPXXPNUYZWVJC-KRWDZBQOSA-N 2 0 360.502 1.434 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1c1ccc(OC)cc1 ZINC001090880646 947593921 /nfs/dbraw/zinc/59/39/21/947593921.db2.gz CWRMPSVBLNAVJI-XUVXKRRUSA-N 2 0 357.498 1.799 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1ccc(OC)cc1 ZINC001090881109 947598803 /nfs/dbraw/zinc/59/88/03/947598803.db2.gz ZUZJBNAELGMDFP-LSTHTHJFSA-N 2 0 355.482 1.554 20 30 FDEDRP C#CC[N@H+](C)CCCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000845220254 948825518 /nfs/dbraw/zinc/82/55/18/948825518.db2.gz GAWXGGBVUQZDQO-UHFFFAOYSA-N 2 0 367.497 1.777 20 30 FDEDRP NC(=O)c1ccc(C(=[NH2+])Nc2ccc([C@@]34CC[NH2+][C@H]3COCC4)cc2)cc1 ZINC001171255521 951647804 /nfs/dbraw/zinc/64/78/04/951647804.db2.gz AYHROIQVWVVDNB-RXVVDRJESA-N 2 0 364.449 1.843 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1c1cnn(C)c1 ZINC001086993066 953025583 /nfs/dbraw/zinc/02/55/83/953025583.db2.gz FNRPTLCEZDQCFL-YTQUADARSA-N 2 0 359.518 1.612 20 30 FDEDRP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2 ZINC001092275955 954670710 /nfs/dbraw/zinc/67/07/10/954670710.db2.gz YEAMKVKSHXHVRG-CTNGQTDRSA-N 2 0 352.482 1.934 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092505371 955278898 /nfs/dbraw/zinc/27/88/98/955278898.db2.gz NRSMHSIEARUKDL-BJZITVGISA-N 2 0 358.461 1.976 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C(C)C)C[C@H]1O ZINC001093465564 958203989 /nfs/dbraw/zinc/20/39/89/958203989.db2.gz KNJUOYMJXUCBLY-VGUOSERISA-N 2 0 361.530 1.318 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCC(F)F)CC1 ZINC001110147228 958336792 /nfs/dbraw/zinc/33/67/92/958336792.db2.gz QHWXZJUCRARGMM-IKGGRYGDSA-N 2 0 369.456 1.335 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001094220885 960045066 /nfs/dbraw/zinc/04/50/66/960045066.db2.gz BJXLBGRWDLJEDH-QGPMSJSTSA-N 2 0 358.461 1.833 20 30 FDEDRP C#C[C@@H](NCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CCCO1 ZINC000775793538 972513287 /nfs/dbraw/zinc/51/32/87/972513287.db2.gz MCBKIJGRDYBTDD-MOPGFXCFSA-N 2 0 373.522 1.944 20 30 FDEDRP C[NH+](C)CCN(CC[NH+](C)C)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173431934 962150634 /nfs/dbraw/zinc/15/06/34/962150634.db2.gz QQFRGRMUIZHLKN-UHFFFAOYSA-N 2 0 371.529 1.588 20 30 FDEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001182662131 962422908 /nfs/dbraw/zinc/42/29/08/962422908.db2.gz VOFCXDSVSSBJJX-QRVBRYPASA-N 2 0 365.518 1.126 20 30 FDEDRP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001188673203 966518794 /nfs/dbraw/zinc/51/87/94/966518794.db2.gz DWWBKQMAQZCAPX-RBUKOAKNSA-N 2 0 361.530 1.681 20 30 FDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC000884193758 982969448 /nfs/dbraw/zinc/96/94/48/982969448.db2.gz OOHCALRKBMEOIS-KYBDOYODSA-N 2 0 352.482 1.907 20 30 FDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1CC[N@H+](CCc3ccccc3)C1)C2 ZINC000884203944 982979342 /nfs/dbraw/zinc/97/93/42/982979342.db2.gz JTYWVJWLQGWHRP-GGUNXXMASA-N 2 0 366.509 1.807 20 30 FDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)C2 ZINC000884298247 983064323 /nfs/dbraw/zinc/06/43/23/983064323.db2.gz LUEGQEMROVGDGC-IWTSUJQZSA-N 2 0 370.472 1.774 20 30 FDEDRP C#CCN1CCC[C@@H](NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000884308314 983072392 /nfs/dbraw/zinc/07/23/92/983072392.db2.gz LRQSVVBYNBTSOW-WOJBJXKFSA-N 2 0 354.498 1.905 20 30 FDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000884448920 983161398 /nfs/dbraw/zinc/16/13/98/983161398.db2.gz PXYALNBZFKEIQS-GUFYVYCGSA-N 2 0 352.482 1.764 20 30 FDEDRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)C2)cc1 ZINC000884465912 983171439 /nfs/dbraw/zinc/17/14/39/983171439.db2.gz MSCDJKMVNZQOQQ-XTBIFASLSA-N 2 0 352.482 1.825 20 30 FDEDRP C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870025106 985536448 /nfs/dbraw/zinc/53/64/48/985536448.db2.gz YQRQQNLUJNIKSS-KBAYOESNSA-N 2 0 358.486 1.523 20 30 FDEDRP C[NH+]1CCC[C@H]2CN(CC#CCN3CC[C@H]4[C@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000367461899 988951996 /nfs/dbraw/zinc/95/19/96/988951996.db2.gz BZTQTTLLQQQMNP-ZDNVTZCJSA-N 2 0 358.574 1.822 20 30 FDEDRP Cc1cccc(NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1C#N ZINC000873983249 989574989 /nfs/dbraw/zinc/57/49/89/989574989.db2.gz UEXYQYSBPQVVID-HZPDHXFCSA-N 2 0 371.485 1.003 20 30 FDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000876781654 992908358 /nfs/dbraw/zinc/90/83/58/992908358.db2.gz QAMGOGLHWNAEEM-DLBZAZTESA-N 2 0 350.894 1.561 20 30 FDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000876784489 992911905 /nfs/dbraw/zinc/91/19/05/992911905.db2.gz HLVJEQYHWDAAQQ-QGZVFWFLSA-N 2 0 366.893 1.721 20 30 FDEDRP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374786240 992942105 /nfs/dbraw/zinc/94/21/05/992942105.db2.gz ZBEUSZWQVZIVHM-OAHLLOKOSA-N 2 0 359.474 1.630 20 30 FDEDRP C[NH+]1CCN(C2CC[NH+](C[C@H](O)COc3ccc(CC#N)cc3)CC2)CC1 ZINC000879591657 995060226 /nfs/dbraw/zinc/06/02/26/995060226.db2.gz RVLCKHFGLIOHNY-FQEVSTJZSA-N 2 0 372.513 1.204 20 30 FDEDRP C[NH+]1CCN(C2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000879593123 995063079 /nfs/dbraw/zinc/06/30/79/995063079.db2.gz UTMIRBMWNMOGCD-UHFFFAOYSA-N 2 0 355.486 1.599 20 30 FDEDRP [NH2+]=C(NCCCN1CCOCC1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000264119780 997405221 /nfs/dbraw/zinc/40/52/21/997405221.db2.gz QQHYOYCPUXJKPR-LJQANCHMSA-N 2 0 359.518 1.450 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000270817667 999619277 /nfs/dbraw/zinc/61/92/77/999619277.db2.gz HXSPHMKGNIGRAX-NHCUHLMSSA-N 2 0 369.509 1.331 20 30 FDEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198110 1006817417 /nfs/dbraw/zinc/81/74/17/1006817417.db2.gz JIADVNDLSFLAQF-NXHRZFHOSA-N 2 0 351.491 1.021 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)C(C)C ZINC000642769873 1007890587 /nfs/dbraw/zinc/89/05/87/1007890587.db2.gz RGGJNRSBMWBWKV-FGTMMUONSA-N 2 0 362.518 1.012 20 30 FDEDRP CC(C)[C@@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000303785717 1009583432 /nfs/dbraw/zinc/58/34/32/1009583432.db2.gz QQKTWWSEEVDUPS-MRXNPFEDSA-N 2 0 367.538 1.974 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1cccc(C)c1)N1CCOCC1 ZINC000303875508 1009645734 /nfs/dbraw/zinc/64/57/34/1009645734.db2.gz DLPBTBXDZJPKDI-VQTJNVASSA-N 2 0 373.545 1.757 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000522286143 539556792 /nfs/dbraw/zinc/55/67/92/539556792.db2.gz XOBXOUZZEKBPSJ-UHFFFAOYSA-N 2 0 352.523 1.779 20 30 FDEDRP CCN1CCN(c2cc(N3CC[NH+](CC)CC3)cc(C#N)c2[N+](=O)[O-])CC1 ZINC000265438172 179377066 /nfs/dbraw/zinc/37/70/66/179377066.db2.gz PEOYLTYMIQPEMF-UHFFFAOYSA-N 2 0 372.473 1.750 20 30 FDEDRP CC(C)[NH+]1CCN(CCC[NH+]2CCN(c3ncccc3C#N)CC2)CC1 ZINC000191392284 258391314 /nfs/dbraw/zinc/39/13/14/258391314.db2.gz PYRBGVUUCAWHRY-UHFFFAOYSA-N 2 0 356.518 1.491 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000553710939 543685470 /nfs/dbraw/zinc/68/54/70/543685470.db2.gz FSBRHPKEJBKDKE-SFHVURJKSA-N 2 0 362.518 1.276 20 30 FDEDRP C[C@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000331379032 259190787 /nfs/dbraw/zinc/19/07/87/259190787.db2.gz FRDXQRRDIPJRNH-FXAWDEMLSA-N 2 0 369.513 1.845 20 30 FDEDRP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000051957061 523099680 /nfs/dbraw/zinc/09/96/80/523099680.db2.gz QVRFSWDIQUMMRE-IBGZPJMESA-N 2 0 359.470 1.342 20 30 FDEDRP CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CC1 ZINC000083032515 524235114 /nfs/dbraw/zinc/23/51/14/524235114.db2.gz OWWJHZHKFKCFTP-SJLPKXTDSA-N 2 0 359.518 1.688 20 30 FDEDRP NC(=NOCc1nnnn1C1CC1)c1ccccc1C[NH+]1CCCCC1 ZINC000102653972 525298493 /nfs/dbraw/zinc/29/84/93/525298493.db2.gz UQMNFVJZCJNOJB-UHFFFAOYSA-N 2 0 355.446 1.831 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000178727345 525471396 /nfs/dbraw/zinc/47/13/96/525471396.db2.gz WJBSUMPKLVUCLR-RBUKOAKNSA-N 2 0 364.534 1.704 20 30 FDEDRP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182978613 535898448 /nfs/dbraw/zinc/89/84/48/535898448.db2.gz MESKEMIQJPCWQC-GOSISDBHSA-N 2 0 364.534 1.819 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000188565418 536902690 /nfs/dbraw/zinc/90/26/90/536902690.db2.gz AQUGMLTWWDCZDF-INIZCTEOSA-N 2 0 352.523 1.514 20 30 FDEDRP C[NH+]=C(NC[C@H](C)N1CCc2sccc2C1)N1CCN(C(C)=O)CC1 ZINC000263253828 537002618 /nfs/dbraw/zinc/00/26/18/537002618.db2.gz PVBAFKPPDYVCHQ-AWEZNQCLSA-N 2 0 363.531 1.234 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000283403479 537376280 /nfs/dbraw/zinc/37/62/80/537376280.db2.gz HYBMWBNGKPXICB-UHFFFAOYSA-N 2 0 372.513 1.391 20 30 FDEDRP [NH2+]=C(NCCCN1CCOCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195291273 537391655 /nfs/dbraw/zinc/39/16/55/537391655.db2.gz YFVVYEJDOLDPKQ-IBGZPJMESA-N 2 0 359.518 1.135 20 30 FDEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000274850733 537533062 /nfs/dbraw/zinc/53/30/62/537533062.db2.gz QWCOQUAIVAKXKM-SOLBZPMBSA-N 2 0 358.486 1.887 20 30 FDEDRP C=CCN(C(=O)c1[nH]nc2c1C[NH2+]CC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372462983 537956766 /nfs/dbraw/zinc/95/67/66/537956766.db2.gz JOQPAQZXXZNUQB-QGZVFWFLSA-N 2 0 365.481 1.958 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000561412755 545836821 /nfs/dbraw/zinc/83/68/21/545836821.db2.gz RESKLCPZEBCIMG-MRXNPFEDSA-N 2 0 352.523 1.236 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000570870251 549441838 /nfs/dbraw/zinc/44/18/38/549441838.db2.gz JLJIZLQWWJTMAM-UHFFFAOYSA-N 2 0 364.534 1.524 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000578215292 550740256 /nfs/dbraw/zinc/74/02/56/550740256.db2.gz VAZPQYAQGNVBPT-KRWDZBQOSA-N 2 0 364.534 1.380 20 30 FDEDRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000591736737 551904852 /nfs/dbraw/zinc/90/48/52/551904852.db2.gz MUFRPFVJXJAELE-PKOBYXMFSA-N 2 0 358.486 1.056 20 30 FDEDRP C[C@H]([NH3+])[C@H]1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593722823 552182934 /nfs/dbraw/zinc/18/29/34/552182934.db2.gz ZDXKJXYNBVFOJU-YJBOKZPZSA-N 2 0 355.486 1.901 20 30 FDEDRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594439531 552310528 /nfs/dbraw/zinc/31/05/28/552310528.db2.gz RMSMACSKHDOVCS-FQEVSTJZSA-N 2 0 371.529 1.852 20 30 FDEDRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594439918 552311050 /nfs/dbraw/zinc/31/10/50/552311050.db2.gz WHIIAJYXIULPIT-FQEVSTJZSA-N 2 0 371.529 1.852 20 30 FDEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000597441752 552789648 /nfs/dbraw/zinc/78/96/48/552789648.db2.gz USJGZNVUQDZTNV-SFHVURJKSA-N 2 0 355.486 1.774 20 30 FDEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000597441751 552789793 /nfs/dbraw/zinc/78/97/93/552789793.db2.gz USJGZNVUQDZTNV-GOSISDBHSA-N 2 0 355.486 1.774 20 30 FDEDRP CC[NH+]1CCC(NC(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000330262535 567957417 /nfs/dbraw/zinc/95/74/17/567957417.db2.gz VDXUWBLDTRQZMI-NRFANRHFSA-N 2 0 374.529 1.954 20 30 FDEDRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000330274132 568077478 /nfs/dbraw/zinc/07/74/78/568077478.db2.gz JPMXHXRCJAEYIT-WIYYLYMNSA-N 2 0 372.513 1.706 20 30 FDEDRP C[NH+]=C(NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)N1CCC(C(=O)OC)CC1 ZINC000073629446 671402938 /nfs/dbraw/zinc/40/29/38/671402938.db2.gz JSOSVZPWRJUUAS-BEFAXECRSA-N 2 0 352.523 1.957 20 30 FDEDRP C[NH+](C)[C@H](CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)C1CC1 ZINC000089120535 671491608 /nfs/dbraw/zinc/49/16/08/671491608.db2.gz YJVXVJIXJMFZCB-LSDHHAIUSA-N 2 0 351.495 1.207 20 30 FDEDRP CC(C)[NH+]1CCC(NC(NCC(=O)N(C)C)=[NH+]C2CCCCC2)CC1 ZINC000114091487 671648828 /nfs/dbraw/zinc/64/88/28/671648828.db2.gz CATLVKJKNSRRRO-UHFFFAOYSA-N 2 0 351.539 1.815 20 30 FDEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000156163402 671951731 /nfs/dbraw/zinc/95/17/31/671951731.db2.gz VWILQBHZWHMNIZ-WMZOPIPTSA-N 2 0 352.523 1.564 20 30 FDEDRP C[NH+]=C(NC[C@]1(O)CCSC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000262333473 672772220 /nfs/dbraw/zinc/77/22/20/672772220.db2.gz BKYDENZYRAWOOT-GOSISDBHSA-N 2 0 354.564 1.817 20 30 FDEDRP C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000290002470 676186608 /nfs/dbraw/zinc/18/66/08/676186608.db2.gz ZFXRSZJIYJVFGJ-GOEBONIOSA-N 2 0 355.504 1.114 20 30 FDEDRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000303889633 676543792 /nfs/dbraw/zinc/54/37/92/676543792.db2.gz PPYAASXOQNSRHJ-CALCHBBNSA-N 2 0 353.555 1.370 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1ccc(C(F)(F)F)cn1 ZINC000305093997 676544781 /nfs/dbraw/zinc/54/47/81/676544781.db2.gz QYVIUUBAHNXMII-ZDUSSCGKSA-N 2 0 359.396 1.868 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)C1CC[NH2+]CC1)C(C)C ZINC000419576925 680282045 /nfs/dbraw/zinc/28/20/45/680282045.db2.gz YLHOEWYUGSYBEC-KRWDZBQOSA-N 2 0 350.507 1.012 20 30 FDEDRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1 ZINC001104256545 772447357 /nfs/dbraw/zinc/44/73/57/772447357.db2.gz FCFMQYVCZHMVAJ-KZNAEPCWSA-N 2 0 355.498 1.390 20 30 FDEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC001104289697 773632130 /nfs/dbraw/zinc/63/21/30/773632130.db2.gz PGPOYLKQEPQLPU-QWFCFKBJSA-N 2 0 361.530 1.727 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656311085 774898039 /nfs/dbraw/zinc/89/80/39/774898039.db2.gz IWBOLPZLOSNLBR-ROUUACIJSA-N 2 0 362.518 1.276 20 30 FDEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001105016857 794929803 /nfs/dbraw/zinc/92/98/03/794929803.db2.gz DBFGKONFQCBYGT-BFYDXBDKSA-N 2 0 357.926 1.781 20 30 FDEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001105017062 794933693 /nfs/dbraw/zinc/93/36/93/794933693.db2.gz ODCNZHLKEWIUOC-GUDVDZBRSA-N 2 0 351.535 1.995 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000660597620 800695774 /nfs/dbraw/zinc/69/57/74/800695774.db2.gz SEVUUKKDLOHHJO-GOSISDBHSA-N 2 0 350.507 1.579 20 30 FDEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)NC1CC[NH+](CCOC)CC1 ZINC000261684752 809533092 /nfs/dbraw/zinc/53/30/92/809533092.db2.gz HXIZCGZWHNIHNM-RCCFBDPRSA-N 2 0 364.534 1.610 20 30 FDEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000424139962 815316587 /nfs/dbraw/zinc/31/65/87/815316587.db2.gz ATKYGPYXGLKSAB-DOTOQJQBSA-N 2 0 357.458 1.344 20 30 FDEDRP C=CC[NH+]=C(NCc1nnc(C)n1C)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000261933647 811346761 /nfs/dbraw/zinc/34/67/61/811346761.db2.gz BWQRJCPALRZAFT-SJLPKXTDSA-N 2 0 371.533 1.704 20 30 FDEDRP C[NH+]=C(NCc1cccnc1-n1ccnc1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262017945 811367993 /nfs/dbraw/zinc/36/79/93/811367993.db2.gz YEZWCLLSJLOPGT-RHSMWYFYSA-N 2 0 353.474 1.415 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)C(C)C ZINC000419564717 812020095 /nfs/dbraw/zinc/02/00/95/812020095.db2.gz CUAJDMZIQMXZOP-WMZOPIPTSA-N 2 0 364.534 1.387 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+])C(C)C ZINC000419572124 812026826 /nfs/dbraw/zinc/02/68/26/812026826.db2.gz QFMRDNQCVZRZLB-RCCFBDPRSA-N 2 0 364.534 1.387 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000419702679 812093983 /nfs/dbraw/zinc/09/39/83/812093983.db2.gz BNYYUQLLKMGJTA-GOSISDBHSA-N 2 0 362.518 1.134 20 30 FDEDRP CC[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CC[C@]2(CCOC2)C1 ZINC000261994319 817981945 /nfs/dbraw/zinc/98/19/45/817981945.db2.gz SAQWNGLJUWAWBP-IBGZPJMESA-N 2 0 364.534 1.709 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(OCC#N)cc3)C2)CC[N@@H+]1C ZINC000983704040 818618305 /nfs/dbraw/zinc/61/83/05/818618305.db2.gz HFLRBLKNSHVXQB-DLVXIWMQSA-N 2 0 370.497 1.914 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCOC3CCC3)[C@@H]2CC)CC1 ZINC001087840087 822558784 /nfs/dbraw/zinc/55/87/84/822558784.db2.gz HAGLBFJJWQBXRT-VQTJNVASSA-N 2 0 361.530 1.870 20 30 FDEDRP C[N@@H+]1C[C@H]2CCN(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)[C@H]2C1 ZINC000895594310 822667363 /nfs/dbraw/zinc/66/73/63/822667363.db2.gz NXCDMAGUKAEMJV-QUCCMNQESA-N 2 0 367.497 1.868 20 30 FDEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000329263824 824702467 /nfs/dbraw/zinc/70/24/67/824702467.db2.gz DNVVELVXMKJURZ-FDPIWHGQSA-N 2 0 364.534 1.741 20 30 FDEDRP C[NH+](C)CCNC(=O)c1cccc(CNC(=[NH2+])NCCc2cccs2)c1 ZINC000303988358 827952225 /nfs/dbraw/zinc/95/22/25/827952225.db2.gz WNAVKYQMLOXPOD-UHFFFAOYSA-N 2 0 373.526 1.687 20 30 FDEDRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H](C[N@H+](C)Cc3ccccc3C#N)C2)O1 ZINC001029767633 828031621 /nfs/dbraw/zinc/03/16/21/828031621.db2.gz WKMONUMNDACSQB-FUHIMQAGSA-N 2 0 370.497 1.558 20 30 FDEDRP [NH2+]=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CCN(c2ncccn2)CC1 ZINC000262685451 830159075 /nfs/dbraw/zinc/15/90/75/830159075.db2.gz AGGWRMKMDYCKBB-SFHVURJKSA-N 2 0 371.533 1.710 20 30 FDEDRP N#Cc1csc(CONC(=[NH2+])[C@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000842039302 840862753 /nfs/dbraw/zinc/86/27/53/840862753.db2.gz NANMWFKJLNVUAO-OAHLLOKOSA-N 2 0 357.439 1.914 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105653091 842457391 /nfs/dbraw/zinc/45/73/91/842457391.db2.gz RIEWUGGLMFODBS-IKVWTGGYSA-N 2 0 361.530 1.318 20 30 FDEDRP C=CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105658710 842496831 /nfs/dbraw/zinc/49/68/31/842496831.db2.gz IQTSBTVRGXWPFS-LFGUQSLTSA-N 2 0 367.534 1.107 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[NH+](CC)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105661374 842690775 /nfs/dbraw/zinc/69/07/75/842690775.db2.gz IEHMQYZPFWSWNK-IZBJGVDFSA-N 2 0 351.535 1.870 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C(=C)CC[NH+](C)C ZINC000907731724 854579912 /nfs/dbraw/zinc/57/99/12/854579912.db2.gz HQHMEXDYIVKVLC-IAGOWNOFSA-N 2 0 350.507 1.156 20 30 FDEDRP CCCCCCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000911338954 858530063 /nfs/dbraw/zinc/53/00/63/858530063.db2.gz SMUYMJCEOQFLQE-HDICACEKSA-N 2 0 364.534 1.500 20 30 FDEDRP C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000669032784 860836155 /nfs/dbraw/zinc/83/61/55/860836155.db2.gz VWUGSTIUKIVUSG-KSZLIROESA-N 2 0 374.533 1.920 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCc3cnn(CC)c3)[C@@H]2C)CC1 ZINC001089059396 866384216 /nfs/dbraw/zinc/38/42/16/866384216.db2.gz KLPBCQJMORKSJS-XLIONFOSSA-N 2 0 371.529 1.370 20 30 FDEDRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(Br)c(C#N)c1 ZINC001232898133 866694519 /nfs/dbraw/zinc/69/45/19/866694519.db2.gz ACNQTFFJCSPAKP-UHFFFAOYSA-N 2 0 351.292 2.000 20 30 FDEDRP C#CCN(C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000913988814 870245210 /nfs/dbraw/zinc/24/52/10/870245210.db2.gz OLZUSYHDQXTBLF-IAGOWNOFSA-N 2 0 350.507 1.225 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000914017787 870366861 /nfs/dbraw/zinc/36/68/61/870366861.db2.gz MAEOSAKLDDXPNW-UHFFFAOYSA-N 2 0 355.486 1.443 20 30 FDEDRP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001106148181 871381394 /nfs/dbraw/zinc/38/13/94/871381394.db2.gz GKTDUOICRHTIJD-NMFUWQPSSA-N 2 0 358.324 1.919 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106672283 876513413 /nfs/dbraw/zinc/51/34/13/876513413.db2.gz NYGLCKSTLGFFDH-BRWVUGGUSA-N 2 0 366.550 1.339 20 30 FDEDRP C#CCC1(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000915543628 877032333 /nfs/dbraw/zinc/03/23/33/877032333.db2.gz YEIWXXDEBYOSAT-UHFFFAOYSA-N 2 0 355.486 1.839 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)N1C[C@H](C)N(C(=O)C(=C)CC[NH+](C)C)C[C@H]1C ZINC000901171660 881121945 /nfs/dbraw/zinc/12/19/45/881121945.db2.gz MSIIJIOEPFQFQE-HDICACEKSA-N 2 0 364.534 1.450 20 30 FDEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129220274 886596839 /nfs/dbraw/zinc/59/68/39/886596839.db2.gz UJEGKGKRDBVSJX-NXHRZFHOSA-N 2 0 360.506 1.316 20 30 FDEDRP C#CCN(C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000921320674 887639772 /nfs/dbraw/zinc/63/97/72/887639772.db2.gz PXZRYQIJAZDGBX-UHFFFAOYSA-N 2 0 360.477 1.997 20 30 FDEDRP C[NH+](C)C1(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000923013909 887774101 /nfs/dbraw/zinc/77/41/01/887774101.db2.gz SITWYDPTQPINNR-UHFFFAOYSA-N 2 0 355.486 1.870 20 30 FDEDRP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000923328715 888887469 /nfs/dbraw/zinc/88/74/69/888887469.db2.gz NECJVIIUEIXLIQ-NZSAHSFTSA-N 2 0 356.470 1.172 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000923375330 889044723 /nfs/dbraw/zinc/04/47/23/889044723.db2.gz JOYPPYDLCTWTFX-MISYRCLQSA-N 2 0 359.470 1.516 20 30 FDEDRP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000923408194 889171831 /nfs/dbraw/zinc/17/18/31/889171831.db2.gz AVTMMAFOEQTKIW-OALUTQOASA-N 2 0 359.470 1.388 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000672357400 893197769 /nfs/dbraw/zinc/19/77/69/893197769.db2.gz ZQMRMOUJDLOAHO-GOSISDBHSA-N 2 0 362.518 1.230 20 30 FDEDRP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981509 897449107 /nfs/dbraw/zinc/44/91/07/897449107.db2.gz RIZKQGZEVCNONX-KZNAEPCWSA-N 2 0 364.534 1.047 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C)C[C@H]2O)CC1 ZINC001078226943 898426913 /nfs/dbraw/zinc/42/69/13/898426913.db2.gz AQYYUJJSJHICKG-WOJBJXKFSA-N 2 0 355.482 1.002 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001107030697 899647557 /nfs/dbraw/zinc/64/75/57/899647557.db2.gz SHEUXUYBDLWVGG-FGTMMUONSA-N 2 0 364.534 1.237 20 30 FDEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]3COC[C@@H]32)CC1 ZINC001079242209 902245726 /nfs/dbraw/zinc/24/57/26/902245726.db2.gz SEBINTGZPGDAQM-HSALFYBXSA-N 2 0 371.525 1.291 20 30 FDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079258248 902292360 /nfs/dbraw/zinc/29/23/60/902292360.db2.gz UUMFDSRRQOYHFH-CADBVGFASA-N 2 0 361.530 1.842 20 30 FDEDRP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107568368 905682681 /nfs/dbraw/zinc/68/26/81/905682681.db2.gz ZHDQWGZZHOTQPD-TZIWHRDSSA-N 2 0 361.530 1.729 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2C)CC1 ZINC001080997604 906970607 /nfs/dbraw/zinc/97/06/07/906970607.db2.gz GPTVWPBWACDBTM-BHIYHBOVSA-N 2 0 361.530 1.583 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@H]2C)CC1 ZINC001080997840 906972402 /nfs/dbraw/zinc/97/24/02/906972402.db2.gz MEZHJHCHDMZYQH-RHSMWYFYSA-N 2 0 353.457 1.813 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001082520835 908223501 /nfs/dbraw/zinc/22/35/01/908223501.db2.gz WHTLUOMCSWPXOB-OHDICMOHSA-N 2 0 370.497 1.844 20 30 FDEDRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C)cc1C#N ZINC001082861918 910524210 /nfs/dbraw/zinc/52/42/10/910524210.db2.gz SLDQMODMORPPOL-HHXXYDBFSA-N 2 0 370.497 1.845 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C)nc3C)C2)CC1 ZINC001082941452 911017266 /nfs/dbraw/zinc/01/72/66/911017266.db2.gz QPKSOUUDJWXDEY-IIBYNOLFSA-N 2 0 368.525 1.980 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccnc(OC)c3)C2)CC1 ZINC001082941503 911017321 /nfs/dbraw/zinc/01/73/21/911017321.db2.gz UOZMGABZIJXJCO-VQIMIIECSA-N 2 0 370.497 1.372 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130654548 939948234 /nfs/dbraw/zinc/94/82/34/939948234.db2.gz LQHMJAHGLIEMDI-FUHWJXTLSA-N 2 0 359.518 1.612 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1c1cn(C)cn1 ZINC001130672460 939971593 /nfs/dbraw/zinc/97/15/93/939971593.db2.gz PXCUTNJOPSEAOX-FUHWJXTLSA-N 2 0 361.534 1.858 20 30 FDEDRP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H](C(C)C)[NH+](C)C)n2)O1 ZINC001130809033 940185212 /nfs/dbraw/zinc/18/52/12/940185212.db2.gz DDDGHEANPMUFBO-SQWLQELKSA-N 2 0 364.494 1.003 20 30 FDEDRP C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@@H+](C)CCC)n2)O1 ZINC001130816409 940218982 /nfs/dbraw/zinc/21/89/82/940218982.db2.gz VRDPULAGEYMETJ-LSDHHAIUSA-N 2 0 364.494 1.149 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1c1cncn1C ZINC001130994062 940416141 /nfs/dbraw/zinc/41/61/41/940416141.db2.gz CXRLGHKMSRXZJY-GUDVDZBRSA-N 2 0 371.529 1.612 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001131108062 940502451 /nfs/dbraw/zinc/50/24/51/940502451.db2.gz IBBFUWNNCVUWJL-RCCFBDPRSA-N 2 0 359.518 1.612 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1c1cncn1C ZINC001131128126 940509846 /nfs/dbraw/zinc/50/98/46/940509846.db2.gz RNNQPKSHXQWHTF-QZTJIDSGSA-N 2 0 359.518 1.756 20 30 FDEDRP C=CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001131321425 940551622 /nfs/dbraw/zinc/55/16/22/940551622.db2.gz RYELHIHDRDZWSD-ZACQAIPSSA-N 2 0 364.490 1.009 20 30 FDEDRP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001131515279 940679646 /nfs/dbraw/zinc/67/96/46/940679646.db2.gz BFBVGANXGFIALY-ZVDOUQERSA-N 2 0 361.530 1.870 20 30 FDEDRP C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001131605132 940775181 /nfs/dbraw/zinc/77/51/81/940775181.db2.gz YLGZGHDNXIBOLK-QUCCMNQESA-N 2 0 365.518 1.271 20 30 FDEDRP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001131608975 940789072 /nfs/dbraw/zinc/78/90/72/940789072.db2.gz SCICOWTZXVQXSC-CTNGQTDRSA-N 2 0 361.530 1.871 20 30 FDEDRP C[NH+]1CCC(OCC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000824115193 946241204 /nfs/dbraw/zinc/24/12/04/946241204.db2.gz NKWCHQIHIGPYKL-UHFFFAOYSA-N 2 0 370.497 1.750 20 30 FDEDRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC#Cc3ccccc3)C[C@@]2(C)C1 ZINC001091543524 951981367 /nfs/dbraw/zinc/98/13/67/951981367.db2.gz LZLKQAMFYLYQCG-URVUXULASA-N 2 0 351.494 1.913 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H](C)c3ncccn3)C2)CC1 ZINC001086882483 952914461 /nfs/dbraw/zinc/91/44/61/952914461.db2.gz SNQOMJDTLRZLRG-JENIJYKNSA-N 2 0 369.513 1.757 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cscn3)C2)CC1 ZINC001086882607 952914826 /nfs/dbraw/zinc/91/48/26/952914826.db2.gz ZQPSKGQSMIEQOK-DOTOQJQBSA-N 2 0 360.527 1.863 20 30 FDEDRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001087101067 953271865 /nfs/dbraw/zinc/27/18/65/953271865.db2.gz RPRDFKFXORQOFN-XUVXKRRUSA-N 2 0 370.497 1.463 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C(C)C)C[C@H]1O ZINC001093451995 958137314 /nfs/dbraw/zinc/13/73/14/958137314.db2.gz BKTYLMMXNDQHRS-MLYOOKFZSA-N 2 0 359.514 1.214 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[NH+]3CCC(C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001093470811 958230654 /nfs/dbraw/zinc/23/06/54/958230654.db2.gz ZZMFWJSMBCGZEX-QCFAMHMHSA-N 2 0 361.530 1.318 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000636677841 1013187758 /nfs/dbraw/zinc/18/77/58/1013187758.db2.gz YUMMZWYSXJJZJY-GOSISDBHSA-N 2 0 362.518 1.276 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCCCOC)CC1 ZINC001110152430 959420548 /nfs/dbraw/zinc/42/05/48/959420548.db2.gz UIHQCBHXBPKOEK-AABGKKOBSA-N 2 0 361.530 1.870 20 30 FDEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cnn(CC[NH+](C)C)c3)CCC[C@@H]12 ZINC001094532504 960744870 /nfs/dbraw/zinc/74/48/70/960744870.db2.gz YBEXMZRKDYFSBC-UYAOXDASSA-N 2 0 359.518 1.995 20 30 FDEDRP C[NH+]1CCC(O)(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001182037091 961357318 /nfs/dbraw/zinc/35/73/18/961357318.db2.gz UMIZYUSFJFIQSQ-WGSAOQKQSA-N 2 0 370.497 1.613 20 30 FDEDRP C[NH+]1CCN(CC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172965779 961851808 /nfs/dbraw/zinc/85/18/08/961851808.db2.gz HLNHZQATWKJFHE-CVEARBPZSA-N 2 0 351.495 1.115 20 30 FDEDRP C[N@@H+]1CCCN(CC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172976713 961859984 /nfs/dbraw/zinc/85/99/84/961859984.db2.gz SCOSQUZNCWNWDP-SJORKVTESA-N 2 0 365.522 1.505 20 30 FDEDRP C[N@H+](CCN1CC[NH+](C)CC1)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173433677 962154048 /nfs/dbraw/zinc/15/40/48/962154048.db2.gz UQECUJXDTISRQZ-UHFFFAOYSA-N 2 0 369.513 1.342 20 30 FDEDRP C#Cc1ccc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC001184678493 963673242 /nfs/dbraw/zinc/67/32/42/963673242.db2.gz GZKLHJOERULHPC-UHFFFAOYSA-N 2 0 351.516 1.562 20 30 FDEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001187951835 965926882 /nfs/dbraw/zinc/92/68/82/965926882.db2.gz OVHNLIVJZPBVDH-JENIJYKNSA-N 2 0 359.518 1.946 20 30 FDEDRP CC[NH+]1CCN(c2ccc(CNC(=O)C#CC3CC[NH2+]CC3)cc2F)CC1 ZINC000852873297 967680012 /nfs/dbraw/zinc/68/00/12/967680012.db2.gz RDVJDRQQBNGOFA-UHFFFAOYSA-N 2 0 372.488 1.587 20 30 FDEDRP C#CC[N@H+](C)CCCNC(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC000854094096 968587738 /nfs/dbraw/zinc/58/77/38/968587738.db2.gz DMHKANCEUUAKGW-LJQANCHMSA-N 2 0 358.486 1.008 20 30 FDEDRP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001193726823 969817732 /nfs/dbraw/zinc/81/77/32/969817732.db2.gz FODJEEFKOYRCJH-GUDVDZBRSA-N 2 0 351.535 1.872 20 30 FDEDRP CC[NH+]1CCC(CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)CC1 ZINC000849087353 977308600 /nfs/dbraw/zinc/30/86/00/977308600.db2.gz ANUWLODBTHAPOZ-INIZCTEOSA-N 2 0 365.522 1.599 20 30 FDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCC[N@@H+]1CCc3ccccc3C1)C2 ZINC000884189777 982965632 /nfs/dbraw/zinc/96/56/32/982965632.db2.gz MTXIKHSHNVEOKB-SCCNAQOGSA-N 2 0 352.482 1.690 20 30 FDEDRP C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371301441 990348431 /nfs/dbraw/zinc/34/84/31/990348431.db2.gz FVFYAEVYCUQTMB-FXAWDEMLSA-N 2 0 369.513 1.845 20 30 FDEDRP C[N@H+](C[C@H]1CC12CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)C1CC1 ZINC000372840352 991585777 /nfs/dbraw/zinc/58/57/77/991585777.db2.gz KBVXIBCTDRJUOK-QGZVFWFLSA-N 2 0 357.502 1.839 20 30 FDEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000411808695 992627691 /nfs/dbraw/zinc/62/76/91/992627691.db2.gz MCOCHZRQXRXEQK-UHFFFAOYSA-N 2 0 357.502 1.893 20 30 FDEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC000965211932 1015924541 /nfs/dbraw/zinc/92/45/41/1015924541.db2.gz PYGBVRJOZCYNIA-PGUJWAORSA-N 2 0 351.494 1.982 20 30 FDEDRP N#Cc1cccc(CN2CCC([NH2+][C@@H]3[C@@H]4COC[C@H]3C[C@@H]([NH3+])C4)CC2)c1 ZINC000925701906 995730519 /nfs/dbraw/zinc/73/05/19/995730519.db2.gz IBRFVUYQMJVWIB-BITOSCEUSA-N 2 0 354.498 1.865 20 30 FDEDRP C[C@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)CCN1c1cc[nH+]cc1 ZINC000880259427 995762677 /nfs/dbraw/zinc/76/26/77/995762677.db2.gz SNQWKRHDXIUHOF-LPHOPBHVSA-N 2 0 352.438 1.904 20 30 FDEDRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000887130957 996957993 /nfs/dbraw/zinc/95/79/93/996957993.db2.gz OIBFRRWLJFHLFT-VQIMIIECSA-N 2 0 352.438 1.904 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000264068720 997395446 /nfs/dbraw/zinc/39/54/46/997395446.db2.gz CJZJUNLGJPNGPO-MSOLQXFVSA-N 2 0 373.501 1.693 20 30 FDEDRP C[N@H+](CCCNC(=[NH2+])N1CCN(c2ncccn2)CC1)C1CCCCC1 ZINC000264095884 997400873 /nfs/dbraw/zinc/40/08/73/997400873.db2.gz MNMNSSBCIUYTBQ-UHFFFAOYSA-N 2 0 359.522 1.568 20 30 FDEDRP COc1ccc(CNC(=[NH2+])NCCN2CCC([NH+](C)C)CC2)cc1OC ZINC000267376142 999322878 /nfs/dbraw/zinc/32/28/78/999322878.db2.gz ULEORRRUDXACHP-UHFFFAOYSA-N 2 0 363.506 1.134 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCCCn2ccnc2C)CC1 ZINC000286747397 999948727 /nfs/dbraw/zinc/94/87/27/999948727.db2.gz SLBUHCMIHNSACM-UHFFFAOYSA-N 2 0 361.490 1.245 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccncc1OC[C@H]1CCOC1 ZINC000287012961 999954058 /nfs/dbraw/zinc/95/40/58/999954058.db2.gz FWMCPPLLEXFEIY-RDJZCZTQSA-N 2 0 361.490 1.386 20 30 FDEDRP C[C@@H]1CCC[N@H+](CCNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000089120444 1006010355 /nfs/dbraw/zinc/01/03/55/1006010355.db2.gz KOTSZYCBQDSPAX-CVEARBPZSA-N 2 0 365.522 1.599 20 30 FDEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-n3ccnc3)ccn1)C2 ZINC001111222062 1006947064 /nfs/dbraw/zinc/94/70/64/1006947064.db2.gz NQDABJGUGCBNHJ-LMMKCTJWSA-N 2 0 367.453 1.805 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccc(C)cc1)N1CCOCC1 ZINC000303867188 1009643179 /nfs/dbraw/zinc/64/31/79/1009643179.db2.gz CTKXAOQDPLVQRI-VQTJNVASSA-N 2 0 373.545 1.757 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCC(=O)N1CCc2ccccc21 ZINC000304764666 1010489400 /nfs/dbraw/zinc/48/94/00/1010489400.db2.gz YITVXNZDLINRPZ-KRWDZBQOSA-N 2 0 357.502 1.745 20 30 FDEDRP CC(C)CCNC(=[NH2+])NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000304765159 1010490054 /nfs/dbraw/zinc/49/00/54/1010490054.db2.gz YXVZXAQGFOOHEI-GOSISDBHSA-N 2 0 359.518 1.834 20 30 FDEDRP C[NH+]=C(NCc1cnc(N(C)C)n1C)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000088254179 1012927863 /nfs/dbraw/zinc/92/78/63/1012927863.db2.gz YOVAQSCPALJESM-INIZCTEOSA-N 2 0 361.538 1.369 20 30 FDEDRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 ZINC000192756905 178131926 /nfs/dbraw/zinc/13/19/26/178131926.db2.gz CWMRLBGCIHBGTF-SFHVURJKSA-N 2 0 371.533 1.275 20 30 FDEDRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000245943116 178391496 /nfs/dbraw/zinc/39/14/96/178391496.db2.gz VTAAJTQXPZYQCT-RBUKOAKNSA-N 2 0 358.486 1.010 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000528353207 539751502 /nfs/dbraw/zinc/75/15/02/539751502.db2.gz HWOVPTRUTUAEDE-LJQANCHMSA-N 2 0 359.470 1.342 20 30 FDEDRP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000528353205 539752084 /nfs/dbraw/zinc/75/20/84/539752084.db2.gz HWOVPTRUTUAEDE-IBGZPJMESA-N 2 0 359.470 1.342 20 30 FDEDRP C[NH+]1CCC(C#N)(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CC1 ZINC000535730892 540499769 /nfs/dbraw/zinc/49/97/69/540499769.db2.gz DWVOJDRYPWEEST-UHFFFAOYSA-N 2 0 370.497 1.609 20 30 FDEDRP N#CCC1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000540987002 541131857 /nfs/dbraw/zinc/13/18/57/541131857.db2.gz HZFUQQRMIGCDJJ-UHFFFAOYSA-N 2 0 370.501 1.929 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C#N)o1 ZINC000287115673 183215768 /nfs/dbraw/zinc/21/57/68/183215768.db2.gz ZQHSMXMNSFXJJA-CQSZACIVSA-N 2 0 354.476 1.188 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000553329866 543610654 /nfs/dbraw/zinc/61/06/54/543610654.db2.gz RVVMYVFHYFZLKF-LPHOPBHVSA-N 2 0 374.529 1.228 20 30 FDEDRP Cc1cc(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)ccc1C#N ZINC000331280766 259184942 /nfs/dbraw/zinc/18/49/42/259184942.db2.gz IHYZURXMDGMZPJ-UHFFFAOYSA-N 2 0 364.515 1.513 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000073436605 522525899 /nfs/dbraw/zinc/52/58/99/522525899.db2.gz ALRVIXOJYUKFFD-UHFFFAOYSA-N 2 0 356.514 1.814 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000089896885 524539666 /nfs/dbraw/zinc/53/96/66/524539666.db2.gz IAGODXNYNLOJJV-UXHICEINSA-N 2 0 372.513 1.571 20 30 FDEDRP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)CC1 ZINC000091541673 524722104 /nfs/dbraw/zinc/72/21/04/524722104.db2.gz GFTZSBMSULKELA-IBGZPJMESA-N 2 0 363.550 1.342 20 30 FDEDRP C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)N1CC[NH+](C)CC1 ZINC000160702948 524951635 /nfs/dbraw/zinc/95/16/35/524951635.db2.gz UYSRRIALWLQOJO-GFCCVEGCSA-N 2 0 359.396 1.948 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000179357128 525564329 /nfs/dbraw/zinc/56/43/29/525564329.db2.gz CGXOWZPIJLUJKX-UHFFFAOYSA-N 2 0 361.490 1.472 20 30 FDEDRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)CC1 ZINC000107371608 525880445 /nfs/dbraw/zinc/88/04/45/525880445.db2.gz UONXBWPCMJPDSY-UXHICEINSA-N 2 0 372.513 1.204 20 30 FDEDRP C[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)CN1CC[NH+](C)CC1 ZINC000181689391 525891734 /nfs/dbraw/zinc/89/17/34/525891734.db2.gz OBAMGOSQJSJYRW-LJQANCHMSA-N 2 0 369.557 1.996 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000193862752 537256435 /nfs/dbraw/zinc/25/64/35/537256435.db2.gz ZKAKSJTXNCHZKB-UHFFFAOYSA-N 2 0 359.474 1.229 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000363860112 537346998 /nfs/dbraw/zinc/34/69/98/537346998.db2.gz GFWZTDWORDEALY-UHFFFAOYSA-N 2 0 360.546 1.208 20 30 FDEDRP COc1ccc(CCNC(=[NH2+])NCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000270535631 537351837 /nfs/dbraw/zinc/35/18/37/537351837.db2.gz AARNIZSZWNUKBY-UHFFFAOYSA-N 2 0 371.485 1.678 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cn(-c2ccc(OC)cc2)nn1 ZINC000304931102 537598095 /nfs/dbraw/zinc/59/80/95/537598095.db2.gz CHKOWKHRBSNLOD-MRXNPFEDSA-N 2 0 357.462 1.165 20 30 FDEDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000375901823 537797066 /nfs/dbraw/zinc/79/70/66/537797066.db2.gz LHRPASOEVBSDOV-VQTJNVASSA-N 2 0 372.513 1.398 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000483918182 538746364 /nfs/dbraw/zinc/74/63/64/538746364.db2.gz RCELZEBZZPLZOK-MRXNPFEDSA-N 2 0 364.534 1.380 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000561450429 545856140 /nfs/dbraw/zinc/85/61/40/545856140.db2.gz JXWYNKKLXKWXAF-SFHVURJKSA-N 2 0 364.534 1.476 20 30 FDEDRP CC(C)[C@@H](C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)N1CC[NH+](C)CC1 ZINC000568501756 548563013 /nfs/dbraw/zinc/56/30/13/548563013.db2.gz BUMBYZCVMHQFRX-UYAOXDASSA-N 2 0 360.502 1.160 20 30 FDEDRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000591736734 551904704 /nfs/dbraw/zinc/90/47/04/551904704.db2.gz MUFRPFVJXJAELE-HKUYNNGSSA-N 2 0 358.486 1.056 20 30 FDEDRP N#CC[C@@]1(O)CC[NH+](Cc2cccc(C[N@H+]3CC[C@](O)(CC#N)C3)c2)C1 ZINC000592150634 551950615 /nfs/dbraw/zinc/95/06/15/551950615.db2.gz FKNBKDMRGLVXQP-WOJBJXKFSA-N 2 0 354.454 1.388 20 30 FDEDRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593719849 552182117 /nfs/dbraw/zinc/18/21/17/552182117.db2.gz IODRGQCFDXWCJL-QAPCUYQASA-N 2 0 355.486 1.901 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)CC2)c1 ZINC000593721565 552182312 /nfs/dbraw/zinc/18/23/12/552182312.db2.gz PQKXMPRRJDWSGK-UYAOXDASSA-N 2 0 367.497 1.916 20 30 FDEDRP C[NH+]1CCN(C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c2ccccc2)CC1 ZINC000594438090 552309937 /nfs/dbraw/zinc/30/99/37/552309937.db2.gz GITOLUJUJLUTRC-OALUTQOASA-N 2 0 357.502 1.503 20 30 FDEDRP N#Cc1ccc(S(=O)(=O)CC[NH2+]CC2CC[NH+](CC3CC3)CC2)nc1 ZINC000596066444 552651495 /nfs/dbraw/zinc/65/14/95/552651495.db2.gz DGIHNEDGAYWOIS-UHFFFAOYSA-N 2 0 362.499 1.439 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC3([NH3+])CCOCC3)CC2)c1 ZINC000599923323 553174748 /nfs/dbraw/zinc/17/47/48/553174748.db2.gz UYFLUCBLBNBFJB-UHFFFAOYSA-N 2 0 371.485 1.330 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1ccccc1CC#N ZINC000601286023 553368914 /nfs/dbraw/zinc/36/89/14/553368914.db2.gz ZKVBDRFPXSQHNV-UHFFFAOYSA-N 2 0 366.531 1.647 20 30 FDEDRP N#Cc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)n1 ZINC000602693588 553623729 /nfs/dbraw/zinc/62/37/29/553623729.db2.gz OIYKJKWBBWZFDL-UHFFFAOYSA-N 2 0 363.465 1.940 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)C(C)C ZINC000627371395 557375757 /nfs/dbraw/zinc/37/57/57/557375757.db2.gz DBAJPWFZERNYSE-IAGOWNOFSA-N 2 0 362.518 1.202 20 30 FDEDRP C[NH+]=C(NC[C@@H]1CCCS1)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000261939140 672697743 /nfs/dbraw/zinc/69/77/43/672697743.db2.gz DDZPDTFXZRICMD-KRWDZBQOSA-N 2 0 367.607 1.997 20 30 FDEDRP C[NH+]=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCO[C@H](COC)C1 ZINC000261973544 672705406 /nfs/dbraw/zinc/70/54/06/672705406.db2.gz QOKLRTGMSHGQOS-INIZCTEOSA-N 2 0 370.563 1.271 20 30 FDEDRP C[NH+]=C(NC[C@H]1COCCO1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000262575563 672809539 /nfs/dbraw/zinc/80/95/39/672809539.db2.gz OFHOTLONYUSHJF-KRWDZBQOSA-N 2 0 352.523 1.756 20 30 FDEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N(C)Cc1ccc(Cl)s1 ZINC000262756503 672842540 /nfs/dbraw/zinc/84/25/40/672842540.db2.gz BNBHTXJNYIDJDJ-CYBMUJFWSA-N 2 0 355.939 1.799 20 30 FDEDRP C[NH+]=C(NCC1(O)CCCCC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000262777308 672847331 /nfs/dbraw/zinc/84/73/31/672847331.db2.gz JUMATGYOJDONFI-INIZCTEOSA-N 2 0 352.523 1.348 20 30 FDEDRP CC[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262794525 672850311 /nfs/dbraw/zinc/85/03/11/672850311.db2.gz OXEMPFJODLBRQB-SJLPKXTDSA-N 2 0 351.564 1.335 20 30 FDEDRP C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262805029 672850737 /nfs/dbraw/zinc/85/07/37/672850737.db2.gz RUSSAOLCZAYTNG-FUHWJXTLSA-N 2 0 353.580 1.559 20 30 FDEDRP CC[NH+]=C(NC[C@H]1CCCC[N@@H+]1CC)N1CCN(C(=O)C(C)C)CC1 ZINC000262820533 672851702 /nfs/dbraw/zinc/85/17/02/672851702.db2.gz WVTRJEVOOCJWFI-QGZVFWFLSA-N 2 0 351.539 1.627 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)C(C)C ZINC000265846462 673001221 /nfs/dbraw/zinc/00/12/21/673001221.db2.gz IMNCBMUDIHRBFZ-QGZVFWFLSA-N 2 0 352.523 1.441 20 30 FDEDRP CC(C)C[C@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000303781449 676542754 /nfs/dbraw/zinc/54/27/54/676542754.db2.gz MGXPLWXNXKKQHB-OAHLLOKOSA-N 2 0 355.527 1.830 20 30 FDEDRP COc1ccc(OC)c(NC(=[NH2+])NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000303776244 676542913 /nfs/dbraw/zinc/54/29/13/676542913.db2.gz HTHMPISPFUBCLW-OKILXGFUSA-N 2 0 350.463 1.930 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000303864780 676543291 /nfs/dbraw/zinc/54/32/91/676543291.db2.gz BFKJPPFXAUJVGT-HNNXBMFYSA-N 2 0 353.511 1.634 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000303876845 676543507 /nfs/dbraw/zinc/54/35/07/676543507.db2.gz FBJFOCJLEGUCJM-HUUCEWRRSA-N 2 0 353.511 1.775 20 30 FDEDRP CN1CCC([NH+]2CCC(NC(=O)NCC3(C)CCOCC3)CC2)CC1 ZINC000329041159 676617177 /nfs/dbraw/zinc/61/71/77/676617177.db2.gz OKDYMWLCGLTLNO-UHFFFAOYSA-N 2 0 352.523 1.865 20 30 FDEDRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1 ZINC000330859770 676706905 /nfs/dbraw/zinc/70/69/05/676706905.db2.gz RIECHMXXOHQXFB-FGTMMUONSA-N 2 0 354.539 1.798 20 30 FDEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001112481959 772043332 /nfs/dbraw/zinc/04/33/32/772043332.db2.gz ZIYJXTAPGXXLEO-UJRDFLTJSA-N 2 0 359.514 1.644 20 30 FDEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001104667698 789275128 /nfs/dbraw/zinc/27/51/28/789275128.db2.gz WVRQIFYTJISBRK-KURKYZTESA-N 2 0 366.550 1.483 20 30 FDEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001104863305 794119529 /nfs/dbraw/zinc/11/95/29/794119529.db2.gz FSWFVISWEQAGLU-UYAOXDASSA-N 2 0 363.546 1.831 20 30 FDEDRP C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@H]2C)C1=O ZINC001104937847 794475795 /nfs/dbraw/zinc/47/57/95/794475795.db2.gz JLSFSVKOPLWULK-KURKYZTESA-N 2 0 364.534 1.189 20 30 FDEDRP C=CC[C@@]1(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)CCC[NH2+]1 ZINC000662757720 803073018 /nfs/dbraw/zinc/07/30/18/803073018.db2.gz LSBJRJBCTGDZCF-NRFANRHFSA-N 2 0 356.514 1.749 20 30 FDEDRP CC[NH+]=C(NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)N1CC[C@@]2(CCOC2)C1 ZINC000261661342 809308772 /nfs/dbraw/zinc/30/87/72/809308772.db2.gz AULCFORQOSKOBA-FUHIMQAGSA-N 2 0 366.550 1.952 20 30 FDEDRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(C#N)c(F)c3)C2)CC[N@@H+]1C ZINC001028551094 810625133 /nfs/dbraw/zinc/62/51/33/810625133.db2.gz ZWCZVZRQORZXIG-UWWQBHOKSA-N 2 0 358.461 1.976 20 30 FDEDRP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261958726 817698439 /nfs/dbraw/zinc/69/84/39/817698439.db2.gz OZVNQASLSPLLAQ-UHFFFAOYSA-N 2 0 367.538 1.004 20 30 FDEDRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3C#N)C2)O1 ZINC000984016034 820544901 /nfs/dbraw/zinc/54/49/01/820544901.db2.gz QTZPVMZNBBXFDR-OHDICMOHSA-N 2 0 356.470 1.262 20 30 FDEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]2C1 ZINC001087969730 824263558 /nfs/dbraw/zinc/26/35/58/824263558.db2.gz KSUKYASVIFQMEV-MSOLQXFVSA-N 2 0 359.518 1.805 20 30 FDEDRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000329301800 824724487 /nfs/dbraw/zinc/72/44/87/824724487.db2.gz WMBYZEGIXXCWKJ-MKXGPGLRSA-N 2 0 364.534 1.885 20 30 FDEDRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329303619 824725110 /nfs/dbraw/zinc/72/51/10/824725110.db2.gz NZGWAWIBAJSLIG-SFHVURJKSA-N 2 0 372.513 1.884 20 30 FDEDRP C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N[C@@H]1CCN(C2CC2)C1 ZINC000262839074 831638365 /nfs/dbraw/zinc/63/83/65/831638365.db2.gz WXJRRLNAKJUGSM-MRXNPFEDSA-N 2 0 353.474 1.477 20 30 FDEDRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001088494148 831772694 /nfs/dbraw/zinc/77/26/94/831772694.db2.gz NTXMAYDHNMOALE-MNEFBYGVSA-N 2 0 356.470 1.762 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C)C(C)C ZINC000480513451 845375646 /nfs/dbraw/zinc/37/56/46/845375646.db2.gz CXUAOSUQKYDNQN-IPMKNSEASA-N 2 0 366.550 1.782 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)C(F)(F)c2ccccc2C#N)C[C@H]1C[NH+](C)C ZINC000913436322 862044662 /nfs/dbraw/zinc/04/46/62/862044662.db2.gz HAKDYRWOPSUFEB-HZPDHXFCSA-N 2 0 364.440 1.848 20 30 FDEDRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083593057 852222325 /nfs/dbraw/zinc/22/23/25/852222325.db2.gz CAKYHVPNDVVBRC-AQNXPRMDSA-N 2 0 370.497 1.340 20 30 FDEDRP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000669034076 860854953 /nfs/dbraw/zinc/85/49/53/860854953.db2.gz HQLPYSFOGBDCLO-SQNIBIBYSA-N 2 0 374.533 1.776 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001106516988 875807454 /nfs/dbraw/zinc/80/74/54/875807454.db2.gz RJGKCBXBIJKBEL-IXDOHACOSA-N 2 0 364.534 1.236 20 30 FDEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC001106666940 876481788 /nfs/dbraw/zinc/48/17/88/876481788.db2.gz ASRUTDLWAAVDJI-WIYYLYMNSA-N 2 0 371.525 1.738 20 30 FDEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCCCCC)C[C@H]1C ZINC001106775490 877743523 /nfs/dbraw/zinc/74/35/23/877743523.db2.gz KNDVWWBTKOMFFP-QZTJIDSGSA-N 2 0 366.550 1.485 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000924009405 883256449 /nfs/dbraw/zinc/25/64/49/883256449.db2.gz YDXGJUKCCGNCDO-UHFFFAOYSA-N 2 0 369.513 1.335 20 30 FDEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001034209872 883934700 /nfs/dbraw/zinc/93/47/00/883934700.db2.gz LGRATJKPDFAUEB-ZCNNSNEGSA-N 2 0 361.530 1.727 20 30 FDEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129029888 885342262 /nfs/dbraw/zinc/34/22/62/885342262.db2.gz OALFOUBTMQFFEV-ZACQAIPSSA-N 2 0 366.485 1.266 20 30 FDEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129257710 886932816 /nfs/dbraw/zinc/93/28/16/886932816.db2.gz LKAXBGNWNUXDSK-SQNIBIBYSA-N 2 0 362.522 1.706 20 30 FDEDRP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001129276475 887583336 /nfs/dbraw/zinc/58/33/36/887583336.db2.gz MHKBHIJTPQZGFA-SJORKVTESA-N 2 0 360.506 1.318 20 30 FDEDRP N#Cc1ccccc1OC[C@@H](O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000923432055 889231286 /nfs/dbraw/zinc/23/12/86/889231286.db2.gz WDAUVDXAPDALEE-ZCNNSNEGSA-N 2 0 370.497 1.199 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ccccc3)C[C@@H]2O)CC1 ZINC001084087910 913360348 /nfs/dbraw/zinc/36/03/48/913360348.db2.gz GZWZGUVVSFSYAX-DBVUQKKJSA-N 2 0 355.482 1.254 20 30 FDEDRP C=CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)n1 ZINC001128107612 896968246 /nfs/dbraw/zinc/96/82/46/896968246.db2.gz WAAXVBLXHNJVMW-CEXWTWQISA-N 2 0 371.529 1.782 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCc3ccccc3)C[C@H]2O)CC1 ZINC001078227324 898429687 /nfs/dbraw/zinc/42/96/87/898429687.db2.gz VBPYIPCTZMECSP-NHCUHLMSSA-N 2 0 369.509 1.126 20 30 FDEDRP C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107538153 905435591 /nfs/dbraw/zinc/43/55/91/905435591.db2.gz IRXAINNCTHSCIW-YVWKXTFCSA-N 2 0 364.534 1.236 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2C)CC1 ZINC001080997436 906971059 /nfs/dbraw/zinc/97/10/59/906971059.db2.gz DALFYTXEGNZTJM-DYESRHJHSA-N 2 0 364.493 1.840 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1c1ccccc1 ZINC001081150851 907263117 /nfs/dbraw/zinc/26/31/17/907263117.db2.gz GWSXBHWLLIZGEF-LZWWZHRGSA-N 2 0 367.493 1.620 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCCCC3)C[C@H]2OC)CC1 ZINC001082383154 907373298 /nfs/dbraw/zinc/37/32/98/907373298.db2.gz KOOHJIOZUABVSR-WOJBJXKFSA-N 2 0 361.530 1.727 20 30 FDEDRP C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C)C1=O ZINC001082620589 909123894 /nfs/dbraw/zinc/12/38/94/909123894.db2.gz FXBHFVZHKQXZQO-FHLIZLRMSA-N 2 0 367.453 1.171 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(C)no2)CC1 ZINC001085432836 924679822 /nfs/dbraw/zinc/67/98/22/924679822.db2.gz SCOISSBBKRSEAZ-RTBURBONSA-N 2 0 358.486 1.845 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnoc2C)CC1 ZINC001085432855 924680012 /nfs/dbraw/zinc/68/00/12/924680012.db2.gz TVGPWBFKFKGLDJ-RTBURBONSA-N 2 0 358.486 1.845 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2c2ccccc2)CC1 ZINC001086625039 938509006 /nfs/dbraw/zinc/50/90/06/938509006.db2.gz HUELZLARBLXGNA-DZFGPLHGSA-N 2 0 369.509 1.297 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1n1ccnn1 ZINC001129932200 938562309 /nfs/dbraw/zinc/56/23/09/938562309.db2.gz QLTULTBNFRGBFQ-MSOLQXFVSA-N 2 0 365.441 1.547 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001129942909 938571212 /nfs/dbraw/zinc/57/12/12/938571212.db2.gz HWZYNRGYPJEBBI-SQNIBIBYSA-N 2 0 358.490 1.070 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001131017790 940438608 /nfs/dbraw/zinc/43/86/08/940438608.db2.gz LUIHQZHSWNEAEF-KURKYZTESA-N 2 0 359.518 1.755 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131132768 940512552 /nfs/dbraw/zinc/51/25/52/940512552.db2.gz QJUHGLYFGIBQMH-RTBURBONSA-N 2 0 371.529 1.594 20 30 FDEDRP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001131552630 940729073 /nfs/dbraw/zinc/72/90/73/940729073.db2.gz ZIZZEDWJERWRET-FFGOWVMKSA-N 2 0 361.530 1.726 20 30 FDEDRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)O1 ZINC001086732120 942012028 /nfs/dbraw/zinc/01/20/28/942012028.db2.gz WDKZMNGHUOQMPJ-XWPNQZOQSA-N 2 0 370.497 1.652 20 30 FDEDRP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000818980731 943369466 /nfs/dbraw/zinc/36/94/66/943369466.db2.gz JJCLSZVQRKVDNA-LJQANCHMSA-N 2 0 351.454 1.528 20 30 FDEDRP C#C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)C1CCOCC1 ZINC000823181829 945523000 /nfs/dbraw/zinc/52/30/00/945523000.db2.gz PAHKSOMGEZSPKT-RTBURBONSA-N 2 0 364.534 1.472 20 30 FDEDRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@]2(C)C1 ZINC001091530715 951939093 /nfs/dbraw/zinc/93/90/93/951939093.db2.gz FUUCANDZXFOFHN-DYXWJJEUSA-N 2 0 352.482 1.933 20 30 FDEDRP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735807 952756140 /nfs/dbraw/zinc/75/61/40/952756140.db2.gz YFOQSXILGUIYGJ-QFUCXCTJSA-N 2 0 361.530 1.986 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1cnn(C)c1 ZINC001086979350 952992552 /nfs/dbraw/zinc/99/25/52/952992552.db2.gz WITFHSFCNDLWLX-GBESFXJTSA-N 2 0 357.502 1.222 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001086989001 953013417 /nfs/dbraw/zinc/01/34/17/953013417.db2.gz BKOPPWOKLXINJC-OTWHNJEPSA-N 2 0 357.502 1.365 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+]([C@H](C)c3cnccn3)C[C@H]2C)CC1 ZINC001093224447 957856416 /nfs/dbraw/zinc/85/64/16/957856416.db2.gz WNSMXRXXDHAESF-ZHALLVOQSA-N 2 0 369.513 1.567 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000636677842 1013187571 /nfs/dbraw/zinc/18/75/71/1013187571.db2.gz YUMMZWYSXJJZJY-SFHVURJKSA-N 2 0 362.518 1.276 20 30 FDEDRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001094169509 959961441 /nfs/dbraw/zinc/96/14/41/959961441.db2.gz OEQMLCFECOOSQA-CRAIPNDOSA-N 2 0 370.472 1.977 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC001094220608 960042275 /nfs/dbraw/zinc/04/22/75/960042275.db2.gz JPXIWBUCKDXMGV-BHIYHBOVSA-N 2 0 370.497 1.725 20 30 FDEDRP N#CCC1CCC([NH2+]CCOCCOCCOCCOCC[NH3+])CC1 ZINC001173333470 962007208 /nfs/dbraw/zinc/00/72/08/962007208.db2.gz IYHIZTGAWWWMPD-UHFFFAOYSA-N 2 0 357.495 1.074 20 30 FDEDRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CN(CCC#N)C(=O)OC(C)(C)C ZINC001184861146 963742105 /nfs/dbraw/zinc/74/21/05/963742105.db2.gz LLAKZKHXDGMXJK-UHFFFAOYSA-N 2 0 368.482 1.201 20 30 FDEDRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852872735 967678927 /nfs/dbraw/zinc/67/89/27/967678927.db2.gz LDWJJRHAXJISAG-UHFFFAOYSA-N 2 0 370.497 1.779 20 30 FDEDRP C#CC(C)(C)N(C)CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000794575228 973320922 /nfs/dbraw/zinc/32/09/22/973320922.db2.gz UOORISDECNWEMV-UHFFFAOYSA-N 2 0 357.502 1.901 20 30 FDEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CCCO1 ZINC001201454770 975054986 /nfs/dbraw/zinc/05/49/86/975054986.db2.gz RWFWGQQEJNPEMM-HBMCJLEFSA-N 2 0 369.509 1.562 20 30 FDEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CCCO1 ZINC001201454944 975055825 /nfs/dbraw/zinc/05/58/25/975055825.db2.gz VSBBKNFWTYVWCL-ZCNNSNEGSA-N 2 0 357.498 1.725 20 30 FDEDRP C=CCC[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000883227997 982023500 /nfs/dbraw/zinc/02/35/00/982023500.db2.gz CSLBWFCXAZVQKQ-OALUTQOASA-N 2 0 351.535 1.886 20 30 FDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1)C2 ZINC000884279692 983050697 /nfs/dbraw/zinc/05/06/97/983050697.db2.gz RBIBQZBRNMXGDG-QZDWLRDRSA-N 2 0 358.873 1.952 20 30 FDEDRP C[C@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870016990 985517150 /nfs/dbraw/zinc/51/71/50/985517150.db2.gz DYZKDTYAPSUBIB-NSISKUIASA-N 2 0 356.514 1.935 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)C[C@H]1C[NH+](C)C ZINC000870020389 985525027 /nfs/dbraw/zinc/52/50/27/985525027.db2.gz OULQLXNEDLOZBW-ZIAGYGMSSA-N 2 0 350.413 1.648 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc3ccccc3n2CC#N)C[C@H]1C[NH+](C)C ZINC000870022526 985529188 /nfs/dbraw/zinc/52/91/88/985529188.db2.gz UDCIANUCUWWHFE-QZTJIDSGSA-N 2 0 367.497 1.976 20 30 FDEDRP C=CCn1c(C)nn(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1=S ZINC000872637554 987892609 /nfs/dbraw/zinc/89/26/09/987892609.db2.gz LIHGQLWXLFFAJQ-HZPDHXFCSA-N 2 0 352.552 1.537 20 30 FDEDRP N#Cc1cc(F)ccc1N1CC[NH+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000873221825 988657105 /nfs/dbraw/zinc/65/71/05/988657105.db2.gz RINLISXWDUKQOO-HNNXBMFYSA-N 2 0 359.449 1.017 20 30 FDEDRP Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364755398 989769571 /nfs/dbraw/zinc/76/95/71/989769571.db2.gz MJAFCJAJFSLIRY-INIZCTEOSA-N 2 0 369.469 1.090 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)CC1 ZINC000875182132 991022589 /nfs/dbraw/zinc/02/25/89/991022589.db2.gz FIKUEGKTWIGWAI-UHFFFAOYSA-N 2 0 364.534 1.522 20 30 FDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000876730933 992845489 /nfs/dbraw/zinc/84/54/89/992845489.db2.gz MHHPLLYOUNNQDF-CQSZACIVSA-N 2 0 355.866 1.722 20 30 FDEDRP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@@H](C)O1 ZINC000876731054 992845572 /nfs/dbraw/zinc/84/55/72/992845572.db2.gz NGLRZMDHYQSGEE-JXXFODFXSA-N 2 0 370.497 1.751 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877327849 993212010 /nfs/dbraw/zinc/21/20/10/993212010.db2.gz XYOPVHLTOFVKGC-WMZOPIPTSA-N 2 0 354.454 1.020 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cccc(OCC#N)c2)C[C@H]1C[NH+](C)C ZINC000878282491 993872931 /nfs/dbraw/zinc/87/29/31/993872931.db2.gz VXAVEJHOXUHSCI-HZPDHXFCSA-N 2 0 359.474 1.792 20 30 FDEDRP CC[C@@H]1C[NH+](Cc2cc(C#N)cc(C[N@H+]3C[C@@H](CC)[C@H](O)C3)c2)C[C@@H]1O ZINC000878322070 993906580 /nfs/dbraw/zinc/90/65/80/993906580.db2.gz WFZNGDYGJBNVFQ-NCYKPQTJSA-N 2 0 357.498 1.964 20 30 FDEDRP C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)CCN1c1cc[nH+]cc1 ZINC000880259426 995762155 /nfs/dbraw/zinc/76/21/55/995762155.db2.gz SNQWKRHDXIUHOF-APWZRJJASA-N 2 0 352.438 1.904 20 30 FDEDRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=[NH2+])Nc3ccccn3)c2)C1 ZINC000267383777 999325080 /nfs/dbraw/zinc/32/50/80/999325080.db2.gz BFDAMPPBNAKALG-QGZVFWFLSA-N 2 0 366.469 1.706 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(F)ccc1N1CCOCC1 ZINC000267449772 999338738 /nfs/dbraw/zinc/33/87/38/999338738.db2.gz RCXXQJNLFDBIHU-KRWDZBQOSA-N 2 0 363.481 1.551 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC000284210916 999780348 /nfs/dbraw/zinc/78/03/48/999780348.db2.gz WSHRFVPNVVVTCU-MSOLQXFVSA-N 2 0 364.534 1.211 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652147135 1016769314 /nfs/dbraw/zinc/76/93/14/1016769314.db2.gz JPGDMZPZYJUGKA-JENIJYKNSA-N 2 0 364.534 1.955 20 30 FDEDRP C[NH+]1C[C@@]2(C)CN(CC#CCN3C[C@]4(C)C[N@@H+](C)C[C@]4(C)C3)C[C@@]2(C)C1 ZINC000931313342 1004047773 /nfs/dbraw/zinc/04/77/73/1004047773.db2.gz BABBWXPNARCSEM-COPRSSIGSA-N 2 0 358.574 1.537 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000157392793 1006908778 /nfs/dbraw/zinc/90/87/78/1006908778.db2.gz HJPWTXWBMFWOQT-INIZCTEOSA-N 2 0 367.538 1.880 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc2c(cc1OC(F)F)OCO2 ZINC000305045621 1008607633 /nfs/dbraw/zinc/60/76/33/1008607633.db2.gz XTLYJYIKAHQGTQ-GFCCVEGCSA-N 2 0 370.400 1.905 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000303710586 1009523573 /nfs/dbraw/zinc/52/35/73/1009523573.db2.gz OSERUWKKTKDDIK-UHFFFAOYSA-N 2 0 365.566 1.672 20 30 FDEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000303771672 1009575054 /nfs/dbraw/zinc/57/50/54/1009575054.db2.gz CVCQIBDYVDISJN-KRWDZBQOSA-N 2 0 363.506 1.702 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(CN2CCOCC2)cc1 ZINC000303788831 1009584099 /nfs/dbraw/zinc/58/40/99/1009584099.db2.gz UUESGEYBNBDNJE-IBGZPJMESA-N 2 0 359.518 1.407 20 30 FDEDRP C[NH+](C)C1(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)CCOCC1 ZINC000304761755 1010489822 /nfs/dbraw/zinc/48/98/22/1010489822.db2.gz UUSYSKZYDBZJKX-UHFFFAOYSA-N 2 0 363.481 1.373 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000530230457 539915497 /nfs/dbraw/zinc/91/54/97/539915497.db2.gz GFROHWRPMHGHCC-VQIMIIECSA-N 2 0 359.470 1.388 20 30 FDEDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000533445433 540248631 /nfs/dbraw/zinc/24/86/31/540248631.db2.gz FTHJWKWRNLBRIY-FQEVSTJZSA-N 2 0 369.513 1.987 20 30 FDEDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000331048790 259174125 /nfs/dbraw/zinc/17/41/25/259174125.db2.gz JUDIPGFRWDHWBC-UHFFFAOYSA-N 2 0 364.515 1.346 20 30 FDEDRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000333833568 259385517 /nfs/dbraw/zinc/38/55/17/259385517.db2.gz MZALSWPTDIAKLJ-APWZRJJASA-N 2 0 355.486 1.774 20 30 FDEDRP C[NH+]=C(NCC1([NH+](C)C)CCCC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000073181756 522486069 /nfs/dbraw/zinc/48/60/69/522486069.db2.gz NXESWHBBHOMJIG-UHFFFAOYSA-N 2 0 361.490 1.487 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000106258115 525683978 /nfs/dbraw/zinc/68/39/78/525683978.db2.gz DKUIJKQSGHGBQB-CALCHBBNSA-N 2 0 352.523 1.825 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNc1ccc(C#N)cc1 ZINC000129868218 525698800 /nfs/dbraw/zinc/69/88/00/525698800.db2.gz RKBZRMYWTSCXNA-LJQANCHMSA-N 2 0 357.502 1.845 20 30 FDEDRP COc1ccccc1CNC(=[NH2+])NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000170913040 525768566 /nfs/dbraw/zinc/76/85/66/525768566.db2.gz AEBDHWNXBWQSSO-LJQANCHMSA-N 2 0 368.481 1.519 20 30 FDEDRP CC[NH+]1CCN(CCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1 ZINC000130565500 525771266 /nfs/dbraw/zinc/77/12/66/525771266.db2.gz MMFRUKQKZUVANI-UHFFFAOYSA-N 2 0 371.529 1.476 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000171709750 526088184 /nfs/dbraw/zinc/08/81/84/526088184.db2.gz ZLVAERPXEXKMKB-UHFFFAOYSA-N 2 0 372.517 1.283 20 30 FDEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182963077 535895386 /nfs/dbraw/zinc/89/53/86/535895386.db2.gz QLTAHJDKRBAKTD-MRXNPFEDSA-N 2 0 366.506 1.211 20 30 FDEDRP CN(CC[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000247040088 537073748 /nfs/dbraw/zinc/07/37/48/537073748.db2.gz NMWCBXCADWXLJH-LJQANCHMSA-N 2 0 360.502 1.256 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)C(C)C ZINC000424125908 538242851 /nfs/dbraw/zinc/24/28/51/538242851.db2.gz AWTJNKBLTJHGRF-WMZOPIPTSA-N 2 0 360.506 1.631 20 30 FDEDRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H]([NH3+])CCCC#N)CC2)c1 ZINC000563056408 546374604 /nfs/dbraw/zinc/37/46/04/546374604.db2.gz ICAKXLJPYMGUFT-LJQANCHMSA-N 2 0 357.502 1.645 20 30 FDEDRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000564851872 547067850 /nfs/dbraw/zinc/06/78/50/547067850.db2.gz RIUNNRRJOYJKAM-NRFANRHFSA-N 2 0 364.493 1.923 20 30 FDEDRP C=CCc1ccccc1OC[C@@H](O)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000569450050 548921698 /nfs/dbraw/zinc/92/16/98/548921698.db2.gz YCPBCMIWJXPZMX-IBGZPJMESA-N 2 0 361.530 1.770 20 30 FDEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(C#N)c1Br ZINC000577260755 550637397 /nfs/dbraw/zinc/63/73/97/550637397.db2.gz RPIGHYWGPFFHDK-UHFFFAOYSA-N 2 0 367.291 1.886 20 30 FDEDRP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594437773 552309600 /nfs/dbraw/zinc/30/96/00/552309600.db2.gz FFWIDNREXNNXMG-LJQANCHMSA-N 2 0 373.501 1.663 20 30 FDEDRP C[NH+]1CCN(C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c2ccccc2)CC1 ZINC000594438091 552309960 /nfs/dbraw/zinc/30/99/60/552309960.db2.gz GITOLUJUJLUTRC-RBUKOAKNSA-N 2 0 357.502 1.503 20 30 FDEDRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000597942772 552848653 /nfs/dbraw/zinc/84/86/53/552848653.db2.gz OBXIWUALXHSMDD-LBPRGKRZSA-N 2 0 371.407 1.974 20 30 FDEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000611386258 554630431 /nfs/dbraw/zinc/63/04/31/554630431.db2.gz HJCPCYZHUDMISM-LPHOPBHVSA-N 2 0 358.486 1.682 20 30 FDEDRP C[NH+]=C(NCCN1CCc2sccc2C1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261957168 672701981 /nfs/dbraw/zinc/70/19/81/672701981.db2.gz JCJUSBHYHLZQNG-WMLDXEAASA-N 2 0 361.559 1.754 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OCC(F)(F)F)nc1 ZINC000303894068 676543772 /nfs/dbraw/zinc/54/37/72/676543772.db2.gz OOYWNXJYZXVFOB-ZDUSSCGKSA-N 2 0 359.396 1.911 20 30 FDEDRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000328920890 676612162 /nfs/dbraw/zinc/61/21/62/676612162.db2.gz BICJYVZYXPDNGA-GOSISDBHSA-N 2 0 351.539 1.390 20 30 FDEDRP C[N@@H+]1CC[C@]2(CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C2)C1 ZINC000330227769 676679672 /nfs/dbraw/zinc/67/96/72/676679672.db2.gz VBDYDSLHGOZGBA-AOIWGVFYSA-N 2 0 350.507 1.306 20 30 FDEDRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000330221764 676679695 /nfs/dbraw/zinc/67/96/95/676679695.db2.gz LYENZWQHQRMNGT-CGTJXYLNSA-N 2 0 352.523 1.552 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000371548065 677723720 /nfs/dbraw/zinc/72/37/20/677723720.db2.gz DSEYOVXXPFTAFL-ROUUACIJSA-N 2 0 350.507 1.268 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)C(C)C ZINC000419565955 680278878 /nfs/dbraw/zinc/27/88/78/680278878.db2.gz FMKYWXSIBQQGFT-MRXNPFEDSA-N 2 0 350.507 1.012 20 30 FDEDRP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@H]2C1 ZINC001083244752 782709442 /nfs/dbraw/zinc/70/94/42/782709442.db2.gz INRSFGIGFGRKEJ-VQTJNVASSA-N 2 0 361.530 1.986 20 30 FDEDRP C[NH+]=C(NCC1(N2CCCCC2)CC[NH+](C)CC1)N(C)C[C@@H]1CCOC1 ZINC000261667971 774839053 /nfs/dbraw/zinc/83/90/53/774839053.db2.gz OVKMEEIOOFMSSR-SFHVURJKSA-N 2 0 365.566 1.480 20 30 FDEDRP C[NH+]=C(NCc1ccc(N2CC[NH+](C)CC2)nc1)N(C)Cc1cccn1C ZINC000262000658 780893037 /nfs/dbraw/zinc/89/30/37/780893037.db2.gz UHXXEMFZBMHGTH-UHFFFAOYSA-N 2 0 369.517 1.379 20 30 FDEDRP COc1cccc(NC(=[NH2+])NCc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000104159404 781542136 /nfs/dbraw/zinc/54/21/36/781542136.db2.gz PFCXRRZHCJGMGN-UHFFFAOYSA-N 2 0 354.458 1.769 20 30 FDEDRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C2)C1 ZINC001104573279 788195054 /nfs/dbraw/zinc/19/50/54/788195054.db2.gz PCCFTEGYHSYIPH-AQNXPRMDSA-N 2 0 363.546 1.832 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C2)CC1 ZINC001105062207 795107071 /nfs/dbraw/zinc/10/70/71/795107071.db2.gz GTSVXLAHCWBIAF-UYAOXDASSA-N 2 0 359.514 1.056 20 30 FDEDRP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974602688 799881986 /nfs/dbraw/zinc/88/19/86/799881986.db2.gz MSKWCSVYARJLCM-QRVBRYPASA-N 2 0 361.530 1.583 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1)C(C)C ZINC000419564716 812020355 /nfs/dbraw/zinc/02/03/55/812020355.db2.gz CUAJDMZIQMXZOP-SJLPKXTDSA-N 2 0 364.534 1.387 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000419736768 812161030 /nfs/dbraw/zinc/16/10/30/812161030.db2.gz XHHDHHYFXNEGMD-WMZOPIPTSA-N 2 0 362.518 1.134 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000272992813 814785494 /nfs/dbraw/zinc/78/54/94/814785494.db2.gz SYXZCCGNEDZZLE-MOPGFXCFSA-N 3 0 359.518 1.142 20 30 FDEDRP CC(C)C[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000330186417 825711466 /nfs/dbraw/zinc/71/14/66/825711466.db2.gz SBJSCAUEJZJEAA-MOPGFXCFSA-N 2 0 366.550 1.988 20 30 FDEDRP [NH2+]=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCn2ccnc2C1 ZINC000262486310 827417607 /nfs/dbraw/zinc/41/76/07/827417607.db2.gz UWGPMVRGBMVERB-SFHVURJKSA-N 2 0 352.486 1.767 20 30 FDEDRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CC#Cc4ccc(F)cc4)CC[C@@H]3C2)C1 ZINC001088199450 827430061 /nfs/dbraw/zinc/43/00/61/827430061.db2.gz OIHUKYQYKPHCEF-AQNXPRMDSA-N 2 0 369.484 1.909 20 30 FDEDRP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)NC1CC[NH+](C2CC2)CC1 ZINC000262830771 831615310 /nfs/dbraw/zinc/61/53/10/831615310.db2.gz ZUWWIWMMRNBSJZ-UHFFFAOYSA-N 3 0 363.550 1.423 20 30 FDEDRP C#CCCN1CCN([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272050324 838426429 /nfs/dbraw/zinc/42/64/29/838426429.db2.gz UGAJXZOAUUNQEV-TZIWHRDSSA-N 2 0 368.525 1.407 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105659012 842500588 /nfs/dbraw/zinc/50/05/88/842500588.db2.gz LRKBGCXIVLCEIL-XCJLJZCSSA-N 2 0 363.546 1.870 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105660514 842552495 /nfs/dbraw/zinc/55/24/95/842552495.db2.gz VNDJXFRDOUVCSS-LFGUQSLTSA-N 2 0 351.535 1.870 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)C(C)C ZINC000480513445 845375460 /nfs/dbraw/zinc/37/54/60/845375460.db2.gz CXUAOSUQKYDNQN-CEXWTWQISA-N 2 0 366.550 1.782 20 30 FDEDRP CCC[N@@H+]1CC[C@@H](CNC(NCCCN2CCOCC2)=[NH+]C(C)(C)C)C1 ZINC000912506021 859831617 /nfs/dbraw/zinc/83/16/17/859831617.db2.gz FRAQLBHVWVIPKM-SFHVURJKSA-N 2 0 367.582 1.774 20 30 FDEDRP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000669032120 860845260 /nfs/dbraw/zinc/84/52/60/860845260.db2.gz AXEBRRURQXELOS-FJIDUMEYSA-N 2 0 374.533 1.919 20 30 FDEDRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001089037935 866206013 /nfs/dbraw/zinc/20/60/13/866206013.db2.gz XCXTUUBLEBISGO-AYBZRNKSSA-N 2 0 356.470 1.620 20 30 FDEDRP C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](OC)C1 ZINC001212495871 872519280 /nfs/dbraw/zinc/51/92/80/872519280.db2.gz RMFBTARGUXTAGX-QZTJIDSGSA-N 2 0 358.442 1.274 20 30 FDEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001106354011 874880612 /nfs/dbraw/zinc/88/06/12/874880612.db2.gz KNAJJLRRMGSUMT-GDBMZVCRSA-N 2 0 369.469 1.243 20 30 FDEDRP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106591060 876058882 /nfs/dbraw/zinc/05/88/82/876058882.db2.gz LGWJRRMNDZABPG-TZMCWYRMSA-N 2 0 358.324 1.921 20 30 FDEDRP C=CCC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](n2ccnn2)C1 ZINC001129127488 885815592 /nfs/dbraw/zinc/81/55/92/885815592.db2.gz FELDQVYUEALLPB-SJORKVTESA-N 2 0 360.506 1.460 20 30 FDEDRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000900044670 886843952 /nfs/dbraw/zinc/84/39/52/886843952.db2.gz FPGWAUPLGHEACB-QUCCMNQESA-N 2 0 356.470 1.048 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000923378674 889052127 /nfs/dbraw/zinc/05/21/27/889052127.db2.gz LFKVFLJOLJYQDD-NSHGMRRFSA-N 2 0 359.470 1.516 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000672357387 893197984 /nfs/dbraw/zinc/19/79/84/893197984.db2.gz VHWWXRBNQOMVPH-KRWDZBQOSA-N 2 0 350.507 1.132 20 30 FDEDRP C=CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)nn2)C1 ZINC000999986729 896517620 /nfs/dbraw/zinc/51/76/20/896517620.db2.gz JZIULMVKRSXTQM-OKZBNKHCSA-N 2 0 360.506 1.448 20 30 FDEDRP C#CC[NH+]1CCC2(CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079251119 902270919 /nfs/dbraw/zinc/27/09/19/902270919.db2.gz GTNFTSSADIXZBU-RBUKOAKNSA-N 2 0 364.449 1.521 20 30 FDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079270325 902328137 /nfs/dbraw/zinc/32/81/37/902328137.db2.gz MSSBVEATPNFQIM-GBESFXJTSA-N 2 0 361.530 1.844 20 30 FDEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]3COC[C@@H]32)CC1 ZINC001079243100 902340604 /nfs/dbraw/zinc/34/06/04/902340604.db2.gz LDUUQHKPKQSXNA-INDMIFKZSA-N 2 0 359.514 1.289 20 30 FDEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](NC(=O)C(=C)C[NH+](C)C)C1CCCCC1 ZINC000764503832 904837322 /nfs/dbraw/zinc/83/73/22/904837322.db2.gz AIGWGKZMLQTFHO-SFHVURJKSA-N 2 0 364.534 1.403 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001082515110 908182341 /nfs/dbraw/zinc/18/23/41/908182341.db2.gz AMBMLVHVJYIQAF-UIAACRFSSA-N 2 0 352.482 1.837 20 30 FDEDRP C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C)C1=O ZINC001082681758 909598513 /nfs/dbraw/zinc/59/85/13/909598513.db2.gz QPLRLFXATGMMIB-BRWVUGGUSA-N 2 0 362.518 1.084 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3snnc3C)C2)CC1 ZINC001082941494 911016974 /nfs/dbraw/zinc/01/69/74/911016974.db2.gz TXYZECJAZQHBGP-CZUORRHYSA-N 2 0 361.515 1.128 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(C)nc2C)CC1 ZINC001085432652 924680098 /nfs/dbraw/zinc/68/00/98/924680098.db2.gz JHZLBOPTSMEHOD-WOJBJXKFSA-N 2 0 371.529 1.591 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(C)n(C)n2)CC1 ZINC001085432868 924681139 /nfs/dbraw/zinc/68/11/39/924681139.db2.gz UFSUKONOPQRXRT-WOJBJXKFSA-N 2 0 371.529 1.591 20 30 FDEDRP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685027 938484772 /nfs/dbraw/zinc/48/47/72/938484772.db2.gz LTBWPFYMCIYCHT-SQNIBIBYSA-N 2 0 360.506 1.460 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001129878935 938536273 /nfs/dbraw/zinc/53/62/73/938536273.db2.gz LNIFWAKKWRQBBY-BBWFWOEESA-N 2 0 366.485 1.266 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1n1ccnn1 ZINC001129932460 938562710 /nfs/dbraw/zinc/56/27/10/938562710.db2.gz ZHZUMTHMJRHBEJ-SJORKVTESA-N 2 0 351.414 1.157 20 30 FDEDRP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123149 938705027 /nfs/dbraw/zinc/70/50/27/938705027.db2.gz IUJSCYPRKDFWQA-KSZLIROESA-N 2 0 362.522 1.542 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130140005 938712121 /nfs/dbraw/zinc/71/21/21/938712121.db2.gz LWSZFVNGWRZYHA-MSOLQXFVSA-N 2 0 360.506 1.462 20 30 FDEDRP C=C(C)CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001130298988 938799347 /nfs/dbraw/zinc/79/93/47/938799347.db2.gz QMHCFHPUZFVAAT-XLIONFOSSA-N 2 0 364.534 1.380 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1c1cn(C)cn1 ZINC001130622127 939920901 /nfs/dbraw/zinc/92/09/01/939920901.db2.gz RDGWGQGLUBEHBZ-DFQSSKMNSA-N 2 0 371.529 1.448 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1c1cn(C)cn1 ZINC001130628186 939925667 /nfs/dbraw/zinc/92/56/67/939925667.db2.gz CSELZFVIWIHNGN-PKOBYXMFSA-N 2 0 364.453 1.842 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130672370 939971434 /nfs/dbraw/zinc/97/14/34/939971434.db2.gz OTYMTQOBZRFIMH-ZIFCJYIRSA-N 2 0 359.518 1.755 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130692626 939981235 /nfs/dbraw/zinc/98/12/35/939981235.db2.gz UWPBFOFHGJJKBG-QXAKKESOSA-N 2 0 361.534 1.857 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130704338 939985182 /nfs/dbraw/zinc/98/51/82/939985182.db2.gz KGMGOMJGXBCSQS-PKOBYXMFSA-N 2 0 357.502 1.059 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1c1cn(C)cn1 ZINC001130714949 940007209 /nfs/dbraw/zinc/00/72/09/940007209.db2.gz PWNRJFHIANVTQI-FUHWJXTLSA-N 2 0 366.469 1.102 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1c1cncn1C ZINC001130994213 940416667 /nfs/dbraw/zinc/41/66/67/940416667.db2.gz NFDJEENXRQOJER-BSDSXHPESA-N 2 0 357.502 1.058 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1c1cncn1C ZINC001131055553 940481496 /nfs/dbraw/zinc/48/14/96/940481496.db2.gz BFNSWWUXYPKNEG-IAGOWNOFSA-N 2 0 371.485 1.849 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001131070110 940484248 /nfs/dbraw/zinc/48/42/48/940484248.db2.gz GCOGBIWMOUTHFI-KZNAEPCWSA-N 2 0 359.518 1.612 20 30 FDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cncn1C ZINC001131108018 940502459 /nfs/dbraw/zinc/50/24/59/940502459.db2.gz GEQPYQIGSAWASD-RCCFBDPRSA-N 2 0 371.529 1.755 20 30 FDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131121063 940506477 /nfs/dbraw/zinc/50/64/77/940506477.db2.gz LAKCNWBOQUOOBC-KZNAEPCWSA-N 2 0 359.518 1.755 20 30 FDEDRP C#C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(C)(C)C ZINC000808256519 940532848 /nfs/dbraw/zinc/53/28/48/940532848.db2.gz SQLUMPHANZYNAO-GOSISDBHSA-N 2 0 357.502 1.941 20 30 FDEDRP CC[NH+]=C(NCC[N@@H+]1CCCC[C@@H]1C)N1CCN(c2ncccn2)CC1 ZINC000114067132 971021808 /nfs/dbraw/zinc/02/18/08/971021808.db2.gz JEDBHNIZOXPWCF-KRWDZBQOSA-N 2 0 359.522 1.439 20 30 FDEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001196185308 971497598 /nfs/dbraw/zinc/49/75/98/971497598.db2.gz USNJCLIVTOTUEU-PWIZWCRZSA-N 2 0 359.514 1.920 20 30 FDEDRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1 ZINC001091543987 951982624 /nfs/dbraw/zinc/98/26/24/951982624.db2.gz SXXMARVDZDGZGR-DYXWJJEUSA-N 2 0 352.482 1.933 20 30 FDEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091679817 952624283 /nfs/dbraw/zinc/62/42/83/952624283.db2.gz MZFJDLUUYCKVCQ-JBPLPALLSA-N 2 0 373.541 1.537 20 30 FDEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091679686 952624313 /nfs/dbraw/zinc/62/43/13/952624313.db2.gz JZPCWZPELHZVLN-JBPLPALLSA-N 2 0 373.541 1.537 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnn(C)c3)C2)CC1 ZINC001086882570 952914381 /nfs/dbraw/zinc/91/43/81/952914381.db2.gz XYLIPVCHVCGHQI-QFBILLFUSA-N 2 0 357.502 1.140 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnc(C)cn3)C2)CC1 ZINC001086882574 952914506 /nfs/dbraw/zinc/91/45/06/952914506.db2.gz YBBKPWAJWXUPPC-PKOBYXMFSA-N 2 0 369.513 1.505 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093195430 957758317 /nfs/dbraw/zinc/75/83/17/957758317.db2.gz QXMDRSBBWWVDAA-QGPMSJSTSA-N 2 0 358.461 1.833 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@H]2C)CC1 ZINC001093224421 957855853 /nfs/dbraw/zinc/85/58/53/957855853.db2.gz VTNKDVXPFDIARZ-GDBMZVCRSA-N 2 0 359.436 1.968 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CC)C3)[C@@H]2C(C)C)CC1 ZINC001093480780 958304607 /nfs/dbraw/zinc/30/46/07/958304607.db2.gz OPDVTORUWICRPU-BNDYYXHWSA-N 2 0 361.530 1.318 20 30 FDEDRP C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C[NH+]3CCCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001093480884 958305247 /nfs/dbraw/zinc/30/52/47/958305247.db2.gz PRKFHVBWAZDJRM-PSBWJHGTSA-N 2 0 369.937 1.801 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3cnc(C)nc3)[C@H](C)C2)CC1 ZINC001094239844 960158432 /nfs/dbraw/zinc/15/84/32/960158432.db2.gz HPKLLPTYSIAMLT-OXQOHEQNSA-N 2 0 369.513 1.314 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3ccccn3)[C@H](C)C2)CC1 ZINC001094240431 960161032 /nfs/dbraw/zinc/16/10/32/960161032.db2.gz YUDSQUWOBZPTCW-IEBWSBKVSA-N 2 0 354.498 1.611 20 30 FDEDRP C[C@@H](CCCC#N)[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001172498740 961688027 /nfs/dbraw/zinc/68/80/27/961688027.db2.gz NPDLSKRGFNFWLT-KRWDZBQOSA-N 2 0 350.507 1.571 20 30 FDEDRP C#CC[C@]1(C(=O)N(CCCC[NH3+])C(N)=[NH2+])CCCN1C(=O)OC(C)(C)C ZINC001184103058 963430746 /nfs/dbraw/zinc/43/07/46/963430746.db2.gz XUIZUVGCTRCZDM-GOSISDBHSA-N 2 0 365.478 1.240 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC#Cc3ccccc3)C2)CC[N@@H+]1C ZINC001200537547 974812391 /nfs/dbraw/zinc/81/23/91/974812391.db2.gz PRKSJGAMOFMPRD-HMXCVIKNSA-N 2 0 369.509 1.585 20 30 FDEDRP Cc1cc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1C#N ZINC000867591235 976452090 /nfs/dbraw/zinc/45/20/90/976452090.db2.gz ZQTPFJRTAYECAF-IAGOWNOFSA-N 2 0 364.515 1.227 20 30 FDEDRP C[NH+](C)CCCOc1ccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1 ZINC000884211706 982988567 /nfs/dbraw/zinc/98/85/67/982988567.db2.gz LPYPFXSVCVSRIK-WBTXTPOCSA-N 2 0 370.497 1.773 20 30 FDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C2 ZINC000884221972 982996180 /nfs/dbraw/zinc/99/61/80/982996180.db2.gz FAXQCEJUEITUNG-KYBDOYODSA-N 2 0 352.482 1.907 20 30 FDEDRP C[NH+]1CCN(Cc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)cc2)CC1 ZINC000884234162 983008019 /nfs/dbraw/zinc/00/80/19/983008019.db2.gz JZFQLKHVCTYHCB-WBTXTPOCSA-N 2 0 367.497 1.512 20 30 FDEDRP C#CCN(C(=O)c1cccc(CN2CC[NH+](C)CC2)c1)C1CC[NH+](C)CC1 ZINC000886581135 986384162 /nfs/dbraw/zinc/38/41/62/986384162.db2.gz KQQQNYZIGKDWCU-UHFFFAOYSA-N 2 0 368.525 1.604 20 30 FDEDRP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000296610066 989325290 /nfs/dbraw/zinc/32/52/90/989325290.db2.gz XCIBANPNDGLDRM-KRWDZBQOSA-N 2 0 357.502 1.861 20 30 FDEDRP Cc1c(C#N)cccc1NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000873982710 989573908 /nfs/dbraw/zinc/57/39/08/989573908.db2.gz HHQPAGIPPXMBIN-IAGOWNOFSA-N 2 0 371.485 1.003 20 30 FDEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000968714175 1015562147 /nfs/dbraw/zinc/56/21/47/1015562147.db2.gz GJCSBNGKVKCFOF-ZACQAIPSSA-N 2 0 355.910 1.676 20 30 FDEDRP CCCCCCCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000875215459 991097919 /nfs/dbraw/zinc/09/79/19/991097919.db2.gz WUVYGHXCJGEVHX-MRXNPFEDSA-N 2 0 352.523 1.358 20 30 FDEDRP C=CCN1CC[C@H]([NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1=O ZINC000410388227 991297870 /nfs/dbraw/zinc/29/78/70/991297870.db2.gz YDICTXFJCCIHFP-KRWDZBQOSA-N 2 0 364.534 1.189 20 30 FDEDRP COc1cc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1C#N ZINC000875593259 991778517 /nfs/dbraw/zinc/77/85/17/991778517.db2.gz FZNLGXIEBHQVRL-QZTJIDSGSA-N 2 0 373.501 1.448 20 30 FDEDRP C[NH+](C)CCCOC1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876891945 992951642 /nfs/dbraw/zinc/95/16/42/992951642.db2.gz IEDQSVQCWUUCNU-FQEVSTJZSA-N 2 0 370.497 1.704 20 30 FDEDRP N#Cc1cc(C[NH+]2CCC[C@H](CO)C2)cc(C[N@H+]2CCC[C@H](CO)C2)c1 ZINC000877935493 993561320 /nfs/dbraw/zinc/56/13/20/993561320.db2.gz NWMYJOMABCJREC-ROUUACIJSA-N 2 0 357.498 1.967 20 30 FDEDRP CCNC(=O)COc1cccc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)c1 ZINC000264095971 997401729 /nfs/dbraw/zinc/40/17/29/997401729.db2.gz MQDRVVDJZLFQRQ-MRXNPFEDSA-N 2 0 361.490 1.090 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccc(C)o1)N1CCOCC1 ZINC000264143488 997412756 /nfs/dbraw/zinc/41/27/56/997412756.db2.gz XDKLQNWJRKKMNB-IAGOWNOFSA-N 2 0 363.506 1.350 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652147137 1016768337 /nfs/dbraw/zinc/76/83/37/1016768337.db2.gz JPGDMZPZYJUGKA-SCTDSRPQSA-N 2 0 364.534 1.955 20 30 FDEDRP CC[C@H](CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)[NH+]1CCCC1 ZINC000089120423 1006010195 /nfs/dbraw/zinc/01/01/95/1006010195.db2.gz DIFUEVIVPQEYOG-HZPDHXFCSA-N 2 0 365.522 1.741 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1)C(C)C ZINC000642769870 1007890774 /nfs/dbraw/zinc/89/07/74/1007890774.db2.gz OVNSVUNWYLRPTC-KZNAEPCWSA-N 2 0 364.534 1.387 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(OCC#N)cc4)C[C@H]32)CC[N@@H+]1C ZINC000959974841 1009239093 /nfs/dbraw/zinc/23/90/93/1009239093.db2.gz QSQWJTAVGHTHBQ-SBUWESJJSA-N 2 0 368.481 1.476 20 30 FDEDRP CCOCCCNC(=[NH2+])NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000303882389 1009670745 /nfs/dbraw/zinc/67/07/45/1009670745.db2.gz HZTLHPHEUGAYAG-IBGZPJMESA-N 2 0 361.534 1.696 20 30 FDEDRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)CC1 ZINC000192756891 178131441 /nfs/dbraw/zinc/13/14/41/178131441.db2.gz CWMRLBGCIHBGTF-GOSISDBHSA-N 2 0 371.533 1.275 20 30 FDEDRP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000528397659 539756101 /nfs/dbraw/zinc/75/61/01/539756101.db2.gz SUVDZXMTJKKILX-IBGZPJMESA-N 2 0 373.497 1.875 20 30 FDEDRP N#Cc1ccc(NC(=O)CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000069030502 172024768 /nfs/dbraw/zinc/02/47/68/172024768.db2.gz CBZJEVVFCQSMKM-UHFFFAOYSA-N 2 0 356.470 1.931 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000553329611 543610836 /nfs/dbraw/zinc/61/08/36/543610836.db2.gz KRHKSEPUEJFNRL-UHFFFAOYSA-N 2 0 364.534 1.525 20 30 FDEDRP C=CCCC[C@@H](C)NC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000557234157 544267367 /nfs/dbraw/zinc/26/73/67/544267367.db2.gz KBGHNELNBMGWGV-MRXNPFEDSA-N 2 0 364.534 1.522 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](CCC)CC2)CC1 ZINC000559462697 544695977 /nfs/dbraw/zinc/69/59/77/544695977.db2.gz KCEAQHRDSCJLMJ-UHFFFAOYSA-N 2 0 350.507 1.134 20 30 FDEDRP C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000329075887 259075776 /nfs/dbraw/zinc/07/57/76/259075776.db2.gz AOUBJUQULVQNIT-IAGOWNOFSA-N 2 0 370.497 1.952 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000081767952 524181049 /nfs/dbraw/zinc/18/10/49/524181049.db2.gz CLEFYXFHUDRPRO-UHFFFAOYSA-N 2 0 369.509 1.605 20 30 FDEDRP C[NH+]1CCC(CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)CC1 ZINC000089120662 524476090 /nfs/dbraw/zinc/47/60/90/524476090.db2.gz BPNLXPVIQPWJFU-HNNXBMFYSA-N 2 0 351.495 1.209 20 30 FDEDRP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174241075 524530542 /nfs/dbraw/zinc/53/05/42/524530542.db2.gz LNDRRPUXBPFNOV-KRWDZBQOSA-N 2 0 350.507 1.571 20 30 FDEDRP C[C@H]1C[NH+](CC2CC[NH+](CCC(=O)N(C)CCC#N)CC2)C[C@H](C)O1 ZINC000131425620 525857127 /nfs/dbraw/zinc/85/71/27/525857127.db2.gz QJVPSPJNEXIVPG-IRXDYDNUSA-N 2 0 350.507 1.570 20 30 FDEDRP C[NH+]=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCN(C(C)=O)CC1 ZINC000263227943 536996118 /nfs/dbraw/zinc/99/61/18/536996118.db2.gz HBXGENCCUQDTDV-UHFFFAOYSA-N 2 0 367.563 1.088 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000192178601 537221387 /nfs/dbraw/zinc/22/13/87/537221387.db2.gz GHUDSSSOULLRAI-UHFFFAOYSA-N 2 0 363.550 1.306 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000333356729 537347990 /nfs/dbraw/zinc/34/79/90/537347990.db2.gz KLHKLLDLXKUISD-RBUKOAKNSA-N 2 0 364.534 1.955 20 30 FDEDRP Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000329924401 537647002 /nfs/dbraw/zinc/64/70/02/537647002.db2.gz UZYULXWDADWLQG-ZOBUZTSGSA-N 2 0 364.469 1.073 20 30 FDEDRP C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000371265890 537797186 /nfs/dbraw/zinc/79/71/86/537797186.db2.gz GLFVZZMUYDFQFE-ROUUACIJSA-N 2 0 369.513 1.845 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000367043978 537925609 /nfs/dbraw/zinc/92/56/09/537925609.db2.gz COOGSLZQJCKVJY-MJGOQNOKSA-N 2 0 363.550 1.304 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)CC1 ZINC000458348278 538589546 /nfs/dbraw/zinc/58/95/46/538589546.db2.gz YRKCXMVIBIMYTH-DFNIBXOVSA-N 2 0 364.534 1.920 20 30 FDEDRP C(#CC[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21)C[NH+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459745560 538695162 /nfs/dbraw/zinc/69/51/62/538695162.db2.gz BXBLYDXSYNBQPO-JVSBHGNQSA-N 2 0 356.510 1.992 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC000560797883 545607931 /nfs/dbraw/zinc/60/79/31/545607931.db2.gz WSBHFJMVZMJYRY-SFHVURJKSA-N 2 0 364.534 1.524 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000561451042 545856891 /nfs/dbraw/zinc/85/68/91/545856891.db2.gz ZYZZKWVROKOQSJ-DOTOQJQBSA-N 2 0 350.507 1.084 20 30 FDEDRP C[NH+]1CCC(C[NH2+]Cc2cnc3c(C#N)cnn3c2)(N2CCCCC2)CC1 ZINC000564570042 546956471 /nfs/dbraw/zinc/95/64/71/546956471.db2.gz CNHMJTRDERXLSK-UHFFFAOYSA-N 2 0 367.501 1.641 20 30 FDEDRP CC[N@H+](C)Cc1cccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000571277497 549588707 /nfs/dbraw/zinc/58/87/07/549588707.db2.gz VZGMRCFXVFOOPA-UHFFFAOYSA-N 2 0 372.494 1.968 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000573627264 550179812 /nfs/dbraw/zinc/17/98/12/550179812.db2.gz DHQUOKLLNOEPSK-UHFFFAOYSA-N 2 0 350.507 1.134 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)CC1 ZINC000574264524 550285392 /nfs/dbraw/zinc/28/53/92/550285392.db2.gz VFIREDRKMMLWAM-AEFFLSMTSA-N 2 0 373.501 1.449 20 30 FDEDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000580156467 550948468 /nfs/dbraw/zinc/94/84/68/550948468.db2.gz FHPRILPXULUMCB-UHFFFAOYSA-N 2 0 372.922 1.520 20 30 FDEDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000580183183 550951857 /nfs/dbraw/zinc/95/18/57/550951857.db2.gz WXIRSVUHXYBMOO-INIZCTEOSA-N 2 0 364.515 1.971 20 30 FDEDRP N#CCCC[C@H]([NH3+])C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000583022471 551292562 /nfs/dbraw/zinc/29/25/62/551292562.db2.gz NFZDRHGBPSJUKC-IBGZPJMESA-N 2 0 357.502 1.332 20 30 FDEDRP N#CC[C@]1(O)CC[NH+](Cc2ccccc2C[N@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC000592150230 551950084 /nfs/dbraw/zinc/95/00/84/551950084.db2.gz BHECAFRRIPLGBL-PMACEKPBSA-N 2 0 354.454 1.388 20 30 FDEDRP N#CC[C@]1(O)CC[NH+](Cc2cccc(C[N@H+]3CC[C@@](O)(CC#N)C3)c2)C1 ZINC000592150633 551950739 /nfs/dbraw/zinc/95/07/39/551950739.db2.gz FKNBKDMRGLVXQP-PMACEKPBSA-N 2 0 354.454 1.388 20 30 FDEDRP CC1(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[NH2+]CC1 ZINC000593720302 552182489 /nfs/dbraw/zinc/18/24/89/552182489.db2.gz JZBQKLJMVMJBOD-UHFFFAOYSA-N 2 0 355.486 1.964 20 30 FDEDRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593722793 552182765 /nfs/dbraw/zinc/18/27/65/552182765.db2.gz YXUFFWILCIYYCG-JKSUJKDBSA-N 2 0 355.486 1.914 20 30 FDEDRP Cc1cccc(S(=O)(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1C#N ZINC000594804381 552391297 /nfs/dbraw/zinc/39/12/97/552391297.db2.gz YKEKUNCDRLVOLC-HNNXBMFYSA-N 2 0 352.504 1.417 20 30 FDEDRP CN(CC[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1)C1CC[NH+](C)CC1 ZINC000611373743 554629561 /nfs/dbraw/zinc/62/95/61/554629561.db2.gz QJBYFIPNWGYKEO-HXUWFJFHSA-N 2 0 374.529 1.450 20 30 FDEDRP Cc1cc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ccc1C#N ZINC000278056620 675086160 /nfs/dbraw/zinc/08/61/60/675086160.db2.gz RYRBIADYQGTURA-UHFFFAOYSA-N 2 0 366.531 1.761 20 30 FDEDRP C[NH+]=C(NCC(C)(C)[NH+](C)C)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000262016579 672712295 /nfs/dbraw/zinc/71/22/95/672712295.db2.gz XWECGMUDUSEXAV-ZDUSSCGKSA-N 2 0 352.914 1.819 20 30 FDEDRP C[NH+]=C(NCc1nc(C)c(C)s1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000262328993 672770963 /nfs/dbraw/zinc/77/09/63/672770963.db2.gz AMSRZVBXXHACGN-OAHLLOKOSA-N 2 0 365.547 1.926 20 30 FDEDRP C[NH+]=C(NC[C@H]1CCCO1)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000262379421 672779797 /nfs/dbraw/zinc/77/97/97/672779797.db2.gz KDUHLUVERMMOBN-QGZVFWFLSA-N 2 0 351.539 1.281 20 30 FDEDRP CC[NH+]1CCN(c2ccc(CNC(=[NH2+])N[C@@H](C)COC)cc2F)CC1 ZINC000267438330 673303960 /nfs/dbraw/zinc/30/39/60/673303960.db2.gz OHYDJRXHKMDNGS-AWEZNQCLSA-N 2 0 351.470 1.407 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000303882807 676543483 /nfs/dbraw/zinc/54/34/83/676543483.db2.gz LVQOCBXJEBELSV-IAGOWNOFSA-N 2 0 353.555 1.240 20 30 FDEDRP C[C@H]1CCCN(C(=[NH2+])NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000304777542 676544542 /nfs/dbraw/zinc/54/45/42/676544542.db2.gz ISUDZMQVIOBQBY-HNNXBMFYSA-N 2 0 351.539 1.660 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccc(C(F)(F)F)cn1 ZINC000305093996 676544868 /nfs/dbraw/zinc/54/48/68/676544868.db2.gz QYVIUUBAHNXMII-CYBMUJFWSA-N 2 0 359.396 1.868 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000305834358 676545257 /nfs/dbraw/zinc/54/52/57/676545257.db2.gz VYHCAMVTEWMWRK-UHFFFAOYSA-N 2 0 353.511 1.634 20 30 FDEDRP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000360472615 676868451 /nfs/dbraw/zinc/86/84/51/676868451.db2.gz LTKWTTUYLDRSCD-MJGOQNOKSA-N 2 0 350.551 1.900 20 30 FDEDRP C=CCNC(=O)[C@H](C)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377266888 678501070 /nfs/dbraw/zinc/50/10/70/678501070.db2.gz MWZIPZZOTWQTAK-KRWDZBQOSA-N 2 0 350.551 1.805 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)C(C)C ZINC000419565614 680278537 /nfs/dbraw/zinc/27/85/37/680278537.db2.gz FCTGDYHLZVBFTL-IXDOHACOSA-N 2 0 350.507 1.010 20 30 FDEDRP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420347430 680434291 /nfs/dbraw/zinc/43/42/91/680434291.db2.gz GQFIWUAAMBIMTG-SJORKVTESA-N 2 0 362.543 1.631 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC000520791759 690356159 /nfs/dbraw/zinc/35/61/59/690356159.db2.gz BKVMIPWVXTXRSV-UHFFFAOYSA-N 2 0 352.523 1.825 20 30 FDEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001112481957 772043563 /nfs/dbraw/zinc/04/35/63/772043563.db2.gz ZIYJXTAPGXXLEO-KBGGIIEESA-N 2 0 359.514 1.644 20 30 FDEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001104310784 774562218 /nfs/dbraw/zinc/56/22/18/774562218.db2.gz IKLODHZJGOBGII-KZNAEPCWSA-N 2 0 364.534 1.237 20 30 FDEDRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C2)C1 ZINC001104573280 788194927 /nfs/dbraw/zinc/19/49/27/788194927.db2.gz PCCFTEGYHSYIPH-VAMGGRTRSA-N 2 0 363.546 1.832 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001104595022 788787848 /nfs/dbraw/zinc/78/78/48/788787848.db2.gz GLYZOODXHDUCLT-BRWVUGGUSA-N 2 0 364.534 1.093 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCCCOC)C2)CC1 ZINC001105062134 795106022 /nfs/dbraw/zinc/10/60/22/795106022.db2.gz BBQMGEGQERUKFM-UYAOXDASSA-N 2 0 363.546 1.832 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195291530 796142271 /nfs/dbraw/zinc/14/22/71/796142271.db2.gz WIECPWQNCRDBPQ-IBGZPJMESA-N 2 0 359.518 1.006 20 30 FDEDRP CN(CCC#N)C(=O)CC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511872090 801346603 /nfs/dbraw/zinc/34/66/03/801346603.db2.gz LBEDQOFMUQRMEI-UHFFFAOYSA-N 2 0 371.529 1.498 20 30 FDEDRP C=CC[C@@]1(C(=O)NCc2ccccc2OCCN2CCOCC2)CCC[NH2+]1 ZINC000662700211 806971647 /nfs/dbraw/zinc/97/16/47/806971647.db2.gz UUJOSWDCWWRFFI-NRFANRHFSA-N 2 0 373.497 1.712 20 30 FDEDRP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000978180891 805261359 /nfs/dbraw/zinc/26/13/59/805261359.db2.gz OZNNYBXMLUAESJ-UEDWAMCQSA-N 2 0 361.530 1.603 20 30 FDEDRP C[C@H]1C[C@@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC000332923475 809946331 /nfs/dbraw/zinc/94/63/31/809946331.db2.gz GAABRIMPJQEDTI-LPHOPBHVSA-N 2 0 355.486 1.868 20 30 FDEDRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CC#Cc3ccc(F)cc3)C2)CC[N@@H+]1C ZINC001028549847 810619206 /nfs/dbraw/zinc/61/92/06/810619206.db2.gz BQMRMOOUXQZEQT-YVWKXTFCSA-N 2 0 357.473 1.956 20 30 FDEDRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(F)c(C#N)c3)C2)CC[N@@H+]1C ZINC001028549943 810619512 /nfs/dbraw/zinc/61/95/12/810619512.db2.gz CMUNLUUIZQKFJP-QGPMSJSTSA-N 2 0 358.461 1.976 20 30 FDEDRP C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000261955206 811352422 /nfs/dbraw/zinc/35/24/22/811352422.db2.gz IOEQHOSWVGTPSR-KRWDZBQOSA-N 2 0 369.517 1.330 20 30 FDEDRP Cc1cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C#N)cc1N(C)C ZINC000517337904 817393534 /nfs/dbraw/zinc/39/35/34/817393534.db2.gz YCBKBZBVMFUZTJ-UHFFFAOYSA-N 2 0 360.506 1.890 20 30 FDEDRP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000895594309 822666857 /nfs/dbraw/zinc/66/68/57/822666857.db2.gz NXCDMAGUKAEMJV-ICSRJNTNSA-N 2 0 367.497 1.868 20 30 FDEDRP C[N@@H+]1C[C@@H]2CCN(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)[C@@H]2C1 ZINC000895594308 822666992 /nfs/dbraw/zinc/66/69/92/822666992.db2.gz NXCDMAGUKAEMJV-AZUAARDMSA-N 2 0 367.497 1.868 20 30 FDEDRP Cn1cncc1[C@H]1[C@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)CCC(=O)N1C1CC1 ZINC000329343862 824747995 /nfs/dbraw/zinc/74/79/95/824747995.db2.gz QICVAPBUJDLOQB-IIDMSEBBSA-N 2 0 374.489 1.165 20 30 FDEDRP O=C(NC1CC[NH+](CC2CC2)CC1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330124700 825657468 /nfs/dbraw/zinc/65/74/68/825657468.db2.gz BGUGCVIAQCEFFQ-RTBURBONSA-N 2 0 364.534 1.742 20 30 FDEDRP C[NH+]=C(NCCc1nnc2n1CCCCC2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262454207 826983497 /nfs/dbraw/zinc/98/34/97/826983497.db2.gz KQHICFQZFVCKRQ-KRWDZBQOSA-N 2 0 373.549 1.683 20 30 FDEDRP N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)cc1 ZINC001088172014 827242446 /nfs/dbraw/zinc/24/24/46/827242446.db2.gz RAMXDVIRQGPFFT-UXHICEINSA-N 2 0 364.493 1.934 20 30 FDEDRP CC[NH+]=C(NC[C@H](C)[N@@H+]1CCCC[C@H]1C)N1CCN(c2ncccn2)CC1 ZINC000262533779 827994427 /nfs/dbraw/zinc/99/44/27/827994427.db2.gz IZFNGMKGRFNWTI-MSOLQXFVSA-N 2 0 373.549 1.827 20 30 FDEDRP C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000262787318 831432585 /nfs/dbraw/zinc/43/25/85/831432585.db2.gz MZNHZPYXTWSACU-QRFRQXIXSA-N 2 0 366.550 1.594 20 30 FDEDRP CC[NH+]=C(NCC1([NH+]2CCC(OC)CC2)CCCC1)N1CCC(O)CC1 ZINC000262807925 831522063 /nfs/dbraw/zinc/52/20/63/831522063.db2.gz UFZWSJILHWMRBO-UHFFFAOYSA-N 2 0 366.550 1.832 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001105653093 842457383 /nfs/dbraw/zinc/45/73/83/842457383.db2.gz RIEWUGGLMFODBS-WIRSXHRWSA-N 2 0 361.530 1.318 20 30 FDEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(C)cccc2C)C[C@@H]1O ZINC001083535210 846913553 /nfs/dbraw/zinc/91/35/53/846913553.db2.gz GJYCVVISNUHTHU-AABGKKOBSA-N 2 0 355.482 1.062 20 30 FDEDRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001076242465 847664493 /nfs/dbraw/zinc/66/44/93/847664493.db2.gz GENSSUKBTYPKFN-LSTHTHJFSA-N 2 0 352.482 1.933 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@]1(C)CCN(C(=O)C(=C)CC[NH+](C)C)C1 ZINC000907978614 854867729 /nfs/dbraw/zinc/86/77/29/854867729.db2.gz APLAPWIRDFFMFD-HXUWFJFHSA-N 2 0 364.534 1.357 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCc3ccns3)[C@@H]2C)CC1 ZINC001089059756 866388298 /nfs/dbraw/zinc/38/82/98/866388298.db2.gz ZOQAPOSSQASAEJ-QAPCUYQASA-N 2 0 360.527 1.610 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(CC#Cc3ccccc3)[C@@H]2C)CC1 ZINC001089059844 866389089 /nfs/dbraw/zinc/38/90/89/866389089.db2.gz DZKXUGXMBSKHKI-KNQAVFIVSA-N 2 0 363.505 1.962 20 30 FDEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001106316117 874757920 /nfs/dbraw/zinc/75/79/20/874757920.db2.gz DPNQIWKHYNBVKR-GDBMZVCRSA-N 2 0 357.926 1.781 20 30 FDEDRP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)cc1C#N ZINC001106622693 876249318 /nfs/dbraw/zinc/24/93/18/876249318.db2.gz LNRHGUMPLSWAKR-CRAIPNDOSA-N 2 0 358.486 1.703 20 30 FDEDRP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001034324301 884195275 /nfs/dbraw/zinc/19/52/75/884195275.db2.gz UGLSGWHJAWUGRL-KURKYZTESA-N 2 0 351.491 1.023 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC3=CCCCC3)C[C@@H]2O)CC1 ZINC001084090285 913372492 /nfs/dbraw/zinc/37/24/92/913372492.db2.gz SJRHDWXZHGUFFL-UXHICEINSA-N 2 0 359.514 1.383 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CC[C@H]3CCOC3)[C@H](C)C2)CC1 ZINC001107034276 899825504 /nfs/dbraw/zinc/82/55/04/899825504.db2.gz SXCHPOHIKOMTPW-WSTZPKSXSA-N 2 0 361.530 1.442 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CCOCC(C)C)[C@H](C)C2)CC1 ZINC001107034190 899847475 /nfs/dbraw/zinc/84/74/75/899847475.db2.gz NJXDSFCHKPGKKJ-UYAOXDASSA-N 2 0 363.546 1.688 20 30 FDEDRP C=C(C[NH+](C)C)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000763974272 901703747 /nfs/dbraw/zinc/70/37/47/901703747.db2.gz VSCJSXLEJJGIRY-UHFFFAOYSA-N 2 0 360.502 1.441 20 30 FDEDRP C=C(C)CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079146928 901970063 /nfs/dbraw/zinc/97/00/63/901970063.db2.gz OQVYVBKQOYRCMM-NJDAHSKKSA-N 2 0 371.525 1.978 20 30 FDEDRP C=CC[NH+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079274358 902356719 /nfs/dbraw/zinc/35/67/19/902356719.db2.gz PXUAEAAKMNHURW-RBUKOAKNSA-N 2 0 361.530 1.988 20 30 FDEDRP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001107409205 904769443 /nfs/dbraw/zinc/76/94/43/904769443.db2.gz LBRUMKIPEYEWLE-SFHLNBCPSA-N 2 0 359.514 1.339 20 30 FDEDRP C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001107410474 904775697 /nfs/dbraw/zinc/77/56/97/904775697.db2.gz FKCVZPSGIZRGBJ-SFHLNBCPSA-N 2 0 361.530 1.892 20 30 FDEDRP CC[C@@H]1[C@@H](C(=O)NC2CCC([NH+]3CCN(CC#N)CC3)CC2)CC[N@@H+]1C ZINC000996775569 905311336 /nfs/dbraw/zinc/31/13/36/905311336.db2.gz GKNNZLFSVQSOII-WZOJCFFYSA-N 2 0 361.534 1.285 20 30 FDEDRP COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)cc1C#N ZINC001080781266 906253537 /nfs/dbraw/zinc/25/35/37/906253537.db2.gz TVGCSZOYFXOEQB-HHXXYDBFSA-N 2 0 370.497 1.845 20 30 FDEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC#CCOC)CC2 ZINC001107646291 906260751 /nfs/dbraw/zinc/26/07/51/906260751.db2.gz GLMMNOSJHLSLGY-SFHLNBCPSA-N 2 0 361.530 1.871 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080935515 906727835 /nfs/dbraw/zinc/72/78/35/906727835.db2.gz XQCFVBXHPASOME-SZVBFZGTSA-N 2 0 356.470 1.477 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000921535243 907651107 /nfs/dbraw/zinc/65/11/07/907651107.db2.gz ZWFTXZJYQWIANA-RTBURBONSA-N 2 0 362.518 1.151 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC001082515745 908185793 /nfs/dbraw/zinc/18/57/93/908185793.db2.gz XDORVDWQUSDURC-LXGCGDOSSA-N 2 0 370.472 1.976 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001082515795 908187556 /nfs/dbraw/zinc/18/75/56/908187556.db2.gz ZBXSUBRIIAZVJA-HEFCMCLBSA-N 2 0 370.472 1.976 20 30 FDEDRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001082742038 909943697 /nfs/dbraw/zinc/94/36/97/909943697.db2.gz OHHNTDIALMKBRV-SPYBWZPUSA-N 2 0 358.461 1.976 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnc(C)cn3)C2)CC1 ZINC001082941051 911015715 /nfs/dbraw/zinc/01/57/15/911015715.db2.gz LYDDVFFTQSOKAT-DNVCBOLYSA-N 2 0 355.486 1.067 20 30 FDEDRP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403578 911185553 /nfs/dbraw/zinc/18/55/53/911185553.db2.gz NKIMXCWSEJXYNL-RCCFBDPRSA-N 2 0 353.507 1.267 20 30 FDEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001084993106 919366897 /nfs/dbraw/zinc/36/68/97/919366897.db2.gz MEMZUEVTYGGYHZ-TUKJNDCMSA-N 2 0 359.514 1.739 20 30 FDEDRP CCC[NH+]1CCN(c2ccccc2C=[NH+]NCCS(C)(=O)=O)CC1 ZINC000733204232 920743352 /nfs/dbraw/zinc/74/33/52/920743352.db2.gz OECHGNMXOHMSOU-UHFFFAOYSA-N 2 0 352.504 1.187 20 30 FDEDRP C#CCCC[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000766233820 925080242 /nfs/dbraw/zinc/08/02/42/925080242.db2.gz PXCASRFDSQXHIW-MRXNPFEDSA-N 2 0 351.516 1.981 20 30 FDEDRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)CC[N@@H+]1C ZINC001086090904 925951206 /nfs/dbraw/zinc/95/12/06/925951206.db2.gz XHZSYDSHFPTJII-PHXBYCTMSA-N 2 0 370.497 1.914 20 30 FDEDRP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129326462 926001960 /nfs/dbraw/zinc/00/19/60/926001960.db2.gz IGVQEYOJTSGNRZ-FGTMMUONSA-N 2 0 362.522 1.562 20 30 FDEDRP C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@]13CC[N@H+](C1)CCC3)C2 ZINC001112570731 931652397 /nfs/dbraw/zinc/65/23/97/931652397.db2.gz MJLQLJBKBJPHTB-JBACZVJFSA-N 2 0 361.530 1.893 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001129970524 938588200 /nfs/dbraw/zinc/58/82/00/938588200.db2.gz RKQHPUQSMFLTEP-SJORKVTESA-N 2 0 360.506 1.460 20 30 FDEDRP C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@@H+](C)CCC)CC1 ZINC001130305308 938803735 /nfs/dbraw/zinc/80/37/35/938803735.db2.gz SDODQJHSRRVJSR-XLIONFOSSA-N 2 0 364.534 1.380 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1c1cn(C)cn1 ZINC001130734502 940034837 /nfs/dbraw/zinc/03/48/37/940034837.db2.gz UILBRWMBNZTTTK-PKOBYXMFSA-N 2 0 357.502 1.203 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001131081973 940487820 /nfs/dbraw/zinc/48/78/20/940487820.db2.gz GSYQJXKHIMGJQS-GUDVDZBRSA-N 2 0 371.529 1.590 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1c1cncn1C ZINC001131074179 940490424 /nfs/dbraw/zinc/49/04/24/940490424.db2.gz XPCMRKUHELFBLH-IAGOWNOFSA-N 2 0 361.534 1.858 20 30 FDEDRP C=C(C)CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313406 940553063 /nfs/dbraw/zinc/55/30/63/940553063.db2.gz QPRAUPPGKHGPRE-BBWFWOEESA-N 2 0 364.490 1.010 20 30 FDEDRP C[NH+](C)CCCNC(=S)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000844596259 948233248 /nfs/dbraw/zinc/23/32/48/948233248.db2.gz IUGXOVXFQRYEOA-UHFFFAOYSA-N 2 0 359.543 1.938 20 30 FDEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735139 952753932 /nfs/dbraw/zinc/75/39/32/952753932.db2.gz LOQGGPOGRMGQLT-QFUCXCTJSA-N 2 0 361.530 1.986 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001087011008 953102819 /nfs/dbraw/zinc/10/28/19/953102819.db2.gz AIPUKXRACKONFP-IPMKNSEASA-N 2 0 357.502 1.058 20 30 FDEDRP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2 ZINC001092203153 954528018 /nfs/dbraw/zinc/52/80/18/954528018.db2.gz FYURVWTZTUKVKO-BEFAXECRSA-N 2 0 370.522 1.996 20 30 FDEDRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CC#Cc4ccc(F)cc4)C[C@@]3(C)C2)C1 ZINC001092273240 954655548 /nfs/dbraw/zinc/65/55/48/954655548.db2.gz MXKIZZVAJDBOCC-KNKQGSTJSA-N 2 0 369.484 1.909 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC001093221662 957849607 /nfs/dbraw/zinc/84/96/07/957849607.db2.gz AUYDGFFYDIDNIJ-IEBWSBKVSA-N 2 0 354.498 1.611 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001093467679 958215294 /nfs/dbraw/zinc/21/52/94/958215294.db2.gz VIAVJXFREAYNIF-RMVXJAJNSA-N 2 0 361.530 1.318 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3cncc(C)c3)[C@H](C)C2)CC1 ZINC001094239900 960157866 /nfs/dbraw/zinc/15/78/66/960157866.db2.gz IVNRGAXTYAWGLK-WIYYLYMNSA-N 2 0 368.525 1.919 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3cnsn3)[C@H](C)C2)CC1 ZINC001094239803 960158041 /nfs/dbraw/zinc/15/80/41/960158041.db2.gz DVUYYTWLEBEIDF-GDBMZVCRSA-N 2 0 361.515 1.067 20 30 FDEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001094417227 960408825 /nfs/dbraw/zinc/40/88/25/960408825.db2.gz OABFZIMBQSIXSN-XWSHUIEDSA-N 2 0 373.541 1.727 20 30 FDEDRP C#C[C@H]([NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000775792966 972521209 /nfs/dbraw/zinc/52/12/09/972521209.db2.gz BKLZWYXJVCGCRQ-QMMLZNLJSA-N 2 0 369.509 1.926 20 30 FDEDRP C=CC[NH+](CC=C)CCN1CCN(C2CC[NH+](CCCOC)CC2)CC1 ZINC001172253761 961602943 /nfs/dbraw/zinc/60/29/43/961602943.db2.gz AUNGTPCPAZHUQY-UHFFFAOYSA-N 2 0 364.578 1.779 20 30 FDEDRP CC[NH+](CC)CCN(CC[NH3+])[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172968910 961854218 /nfs/dbraw/zinc/85/42/18/961854218.db2.gz AGQFPSADXYFANO-SJORKVTESA-N 2 0 367.538 1.881 20 30 FDEDRP CC[NH+](CC)CCNC(=[NH2+])N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172978234 961862257 /nfs/dbraw/zinc/86/22/57/961862257.db2.gz JPGPMEXYWLNEMX-GJZGRUSLSA-N 2 0 366.510 1.734 20 30 FDEDRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C1CCN(c2ccccc2C#N)CC1 ZINC001180509466 965372345 /nfs/dbraw/zinc/37/23/45/965372345.db2.gz KFPCVAXGSRQSEG-UHFFFAOYSA-N 2 0 370.501 1.839 20 30 FDEDRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C#CC3CC[NH2+]CC3)cc2)C[C@@H](C)O1 ZINC000852858234 967662849 /nfs/dbraw/zinc/66/28/49/967662849.db2.gz VRTAZHSTSQQNPZ-QZTJIDSGSA-N 2 0 369.509 1.915 20 30 FDEDRP C[NH+]1CCN(CCOc2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)CC1 ZINC000852872584 967678819 /nfs/dbraw/zinc/67/88/19/967678819.db2.gz IJFQQRNRDUVHSV-UHFFFAOYSA-N 2 0 370.497 1.254 20 30 FDEDRP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194103361 970018801 /nfs/dbraw/zinc/01/88/01/970018801.db2.gz YQPXPZJGHSYYOT-QZTJIDSGSA-N 2 0 367.534 1.253 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2C#N)C[C@H]1C[NH+](C)C ZINC000867588914 976443945 /nfs/dbraw/zinc/44/39/45/976443945.db2.gz JAMJPCKWZFNKSO-ZIAGYGMSSA-N 2 0 368.478 1.057 20 30 FDEDRP C=CCCC(C)(C)CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867678524 976616773 /nfs/dbraw/zinc/61/67/73/976616773.db2.gz VYHBZDDUWIRMOA-IAGOWNOFSA-N 2 0 366.550 1.293 20 30 FDEDRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884206619 982982398 /nfs/dbraw/zinc/98/23/98/982982398.db2.gz ZRBFYLWGVOQXSF-PPAWOBCPSA-N 2 0 373.545 1.143 20 30 FDEDRP Cc1ccc([C@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[NH+]2CCCC2)o1 ZINC000884210068 982986434 /nfs/dbraw/zinc/98/64/34/982986434.db2.gz PTWARKXZSMUDLS-RXCRORICSA-N 2 0 356.470 1.981 20 30 FDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1)C2 ZINC000884279691 983050809 /nfs/dbraw/zinc/05/08/09/983050809.db2.gz RBIBQZBRNMXGDG-QXCFYTAISA-N 2 0 358.873 1.952 20 30 FDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)C2 ZINC000884401289 983138754 /nfs/dbraw/zinc/13/87/54/983138754.db2.gz KFLKFPIBKFLZLC-JMDAGXMHSA-N 2 0 368.481 1.009 20 30 FDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)C2 ZINC000884405086 983140569 /nfs/dbraw/zinc/14/05/69/983140569.db2.gz HCXKCRCHZSDVDM-OHPNTZFESA-N 2 0 356.445 1.527 20 30 FDEDRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1 ZINC000884432240 983152498 /nfs/dbraw/zinc/15/24/98/983152498.db2.gz YHDPLQAMWKVEKQ-NGEICVOHSA-N 2 0 369.469 1.056 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000884642297 984649775 /nfs/dbraw/zinc/64/97/75/984649775.db2.gz GEAGVEVQXVUMKO-HXUWFJFHSA-N 2 0 362.518 1.135 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C)CC1 ZINC000653392965 1015119963 /nfs/dbraw/zinc/11/99/63/1015119963.db2.gz PDGBVBTWBRXFOL-UHFFFAOYSA-N 2 0 352.523 1.237 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000360890816 988194981 /nfs/dbraw/zinc/19/49/81/988194981.db2.gz UBOXUCWZFGOVNS-RTBURBONSA-N 2 0 364.534 1.658 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000366040953 988327234 /nfs/dbraw/zinc/32/72/34/988327234.db2.gz XISOSOGFIGAFII-KRWDZBQOSA-N 2 0 364.534 1.922 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000876767840 992891124 /nfs/dbraw/zinc/89/11/24/992891124.db2.gz PZYIKHXZMYZTDI-OXQOHEQNSA-N 2 0 368.481 1.362 20 30 FDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000876781657 992908224 /nfs/dbraw/zinc/90/82/24/992908224.db2.gz QAMGOGLHWNAEEM-IRXDYDNUSA-N 2 0 350.894 1.561 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000876957675 992982409 /nfs/dbraw/zinc/98/24/09/992982409.db2.gz ZBDPFVKBXJCGLD-AZUAARDMSA-N 2 0 352.482 1.983 20 30 FDEDRP COCC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(OCC#N)cc3)CC[C@@H]2C1 ZINC001137118467 993202719 /nfs/dbraw/zinc/20/27/19/993202719.db2.gz YDWNCZOXKAAJER-UYAOXDASSA-N 2 0 359.470 1.758 20 30 FDEDRP Cc1cc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nn1CCC#N ZINC000879078005 994515912 /nfs/dbraw/zinc/51/59/12/994515912.db2.gz PXRFEHIPTPJDRT-HZPDHXFCSA-N 2 0 361.494 1.308 20 30 FDEDRP C#CCOc1ccccc1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000879283610 994734311 /nfs/dbraw/zinc/73/43/11/994734311.db2.gz LRBMMFYJVOCDMK-IAGOWNOFSA-N 2 0 358.486 1.902 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)CC1 ZINC000928655438 1001611649 /nfs/dbraw/zinc/61/16/49/1001611649.db2.gz RJQQQVMEHPTOBM-UHFFFAOYSA-N 2 0 368.525 1.721 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000303774956 1009576342 /nfs/dbraw/zinc/57/63/42/1009576342.db2.gz GKZQCVDPZYXSNO-FQEVSTJZSA-N 3 0 372.561 1.193 20 30 FDEDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000548119464 542560286 /nfs/dbraw/zinc/56/02/86/542560286.db2.gz DDQVYIYJDNAAAS-UHFFFAOYSA-N 2 0 358.895 1.326 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173953396 258315407 /nfs/dbraw/zinc/31/54/07/258315407.db2.gz VVAQKJLYSZFDMR-LJQANCHMSA-N 2 0 373.497 1.875 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000553732353 543688120 /nfs/dbraw/zinc/68/81/20/543688120.db2.gz BILGVYLDWZKZER-UHFFFAOYSA-N 2 0 364.534 1.381 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000557730807 544337386 /nfs/dbraw/zinc/33/73/86/544337386.db2.gz DVWJOVVHODJPOV-RBUKOAKNSA-N 2 0 370.497 1.315 20 30 FDEDRP CN1Cc2ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc2C1 ZINC000122093627 524449880 /nfs/dbraw/zinc/44/98/80/524449880.db2.gz GUQOQNNDWNWUOO-UHFFFAOYSA-N 2 0 357.458 1.264 20 30 FDEDRP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N(C)Cc1ccc2c(c1)OCO2 ZINC000088428193 524450392 /nfs/dbraw/zinc/45/03/92/524450392.db2.gz OXICGHGOTNXNJW-UHFFFAOYSA-N 2 0 362.474 1.533 20 30 FDEDRP C#CC[NH+]1CCC(c2nc(-c3ccnc(OCC[NH+](C)C)c3)no2)CC1 ZINC000278210630 537282990 /nfs/dbraw/zinc/28/29/90/537282990.db2.gz WDKVBSBODLNEEZ-UHFFFAOYSA-N 2 0 355.442 1.885 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000333356727 537347757 /nfs/dbraw/zinc/34/77/57/537347757.db2.gz KLHKLLDLXKUISD-MOPGFXCFSA-N 2 0 364.534 1.955 20 30 FDEDRP C#Cc1ccccc1CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000290679507 537385715 /nfs/dbraw/zinc/38/57/15/537385715.db2.gz TZXIAGMEXTYMDT-UHFFFAOYSA-N 2 0 362.477 1.934 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000304997968 537598205 /nfs/dbraw/zinc/59/82/05/537598205.db2.gz AQEGLZWOELPQGL-MOPGFXCFSA-N 2 0 371.529 1.466 20 30 FDEDRP C[C@@H](NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)N1CCCCC1 ZINC000329164886 537634647 /nfs/dbraw/zinc/63/46/47/537634647.db2.gz HGGHUFIYIHBPFT-VPSFDDGASA-N 2 0 350.507 1.901 20 30 FDEDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000375901822 537796552 /nfs/dbraw/zinc/79/65/52/537796552.db2.gz LHRPASOEVBSDOV-UXHICEINSA-N 2 0 372.513 1.398 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000417518052 538044957 /nfs/dbraw/zinc/04/49/57/538044957.db2.gz ANHWOIZTXDJDCB-KRWDZBQOSA-N 2 0 365.522 1.056 20 30 FDEDRP N#CCCn1cc(C[NH2+]CC2CC[NH+](CCO)CC2)c(-c2ccncc2)n1 ZINC000433326260 538224755 /nfs/dbraw/zinc/22/47/55/538224755.db2.gz MUHGIRWIZSDSHU-UHFFFAOYSA-N 2 0 368.485 1.653 20 30 FDEDRP C(#CC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21)C[NH+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459745564 538694695 /nfs/dbraw/zinc/69/46/95/538694695.db2.gz BXBLYDXSYNBQPO-WTGUMLROSA-N 2 0 356.510 1.992 20 30 FDEDRP C=CCN(CCOC)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000478967186 538775682 /nfs/dbraw/zinc/77/56/82/538775682.db2.gz UMRYVTZWNGTMHB-UHFFFAOYSA-N 2 0 361.490 1.438 20 30 FDEDRP N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC3=CC[NH2+]CC3)CC2)cc1 ZINC000571183952 549557184 /nfs/dbraw/zinc/55/71/84/549557184.db2.gz KRKNGOOVPGCAKC-UHFFFAOYSA-N 2 0 353.470 1.695 20 30 FDEDRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]([NH3+])CCCC#N)cc2)CC1 ZINC000571795453 549766197 /nfs/dbraw/zinc/76/61/97/549766197.db2.gz ZNOSMBJYZXIFSG-LJQANCHMSA-N 2 0 357.502 1.461 20 30 FDEDRP C[N@H+](CCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CC1 ZINC000593340706 552092100 /nfs/dbraw/zinc/09/21/00/552092100.db2.gz FKZCXOZLSXGGGI-UHFFFAOYSA-N 2 0 355.486 1.916 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000593712055 552180195 /nfs/dbraw/zinc/18/01/95/552180195.db2.gz HQASZCMQRFNMQM-GOSISDBHSA-N 2 0 355.486 1.821 20 30 FDEDRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593714067 552180721 /nfs/dbraw/zinc/18/07/21/552180721.db2.gz JVVVKUHFUPLPBZ-KXBFYZLASA-N 2 0 355.486 1.820 20 30 FDEDRP CN(CC[N@H+](C)C[C@@H](O)CC1(C#N)CCOCC1)C1CC[NH+](C)CC1 ZINC000599336704 553031098 /nfs/dbraw/zinc/03/10/98/553031098.db2.gz MWXLTILLPCNAJJ-SFHVURJKSA-N 2 0 352.523 1.016 20 30 FDEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)[C@@H](C)C1 ZINC000599373042 553038834 /nfs/dbraw/zinc/03/88/34/553038834.db2.gz RQVCCRPVEDJPEF-FHWLQOOXSA-N 2 0 367.534 1.784 20 30 FDEDRP CC(C)[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1C#N)N1CC[NH+](C)CC1 ZINC000600724279 553307577 /nfs/dbraw/zinc/30/75/77/553307577.db2.gz GOTAZFFUMCBHKH-RTBURBONSA-N 2 0 360.502 1.160 20 30 FDEDRP C[NH+](C)CCOc1cc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)ccn1 ZINC000600732203 553308687 /nfs/dbraw/zinc/30/86/87/553308687.db2.gz QAIULPIMSZNTIX-KRWDZBQOSA-N 2 0 362.474 1.183 20 30 FDEDRP C[NH+](C)CCOc1cc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)ccn1 ZINC000600732204 553308851 /nfs/dbraw/zinc/30/88/51/553308851.db2.gz QAIULPIMSZNTIX-QGZVFWFLSA-N 2 0 362.474 1.183 20 30 FDEDRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602447187 553583196 /nfs/dbraw/zinc/58/31/96/553583196.db2.gz BTMPIHUSMBDLHZ-UHFFFAOYSA-N 2 0 357.502 1.869 20 30 FDEDRP C=C(CNC(=O)C[NH+]1CCC(C)CC1)CNC(=O)C[NH+]1CCC(C)CC1 ZINC000620748541 555979058 /nfs/dbraw/zinc/97/90/58/555979058.db2.gz USIMIQQEUGDSAR-UHFFFAOYSA-N 2 0 364.534 1.239 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)C(C)C ZINC000627371376 557375313 /nfs/dbraw/zinc/37/53/13/557375313.db2.gz COLFGJDCBGIYCJ-BRWVUGGUSA-N 2 0 350.507 1.058 20 30 FDEDRP CCC(CC)[C@H](CNC(=[NH2+])NCCCN1CCOCC1)[NH+]1CCCC1 ZINC000104160610 671594758 /nfs/dbraw/zinc/59/47/58/671594758.db2.gz LLGIFNUMVAWEHO-SFHVURJKSA-N 2 0 353.555 1.514 20 30 FDEDRP CC[NH+]=C(NC[C@]1(O)CCSC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000262381811 672780144 /nfs/dbraw/zinc/78/01/44/672780144.db2.gz KONJONLLNIVEJU-FUHWJXTLSA-N 2 0 354.564 1.628 20 30 FDEDRP CCC(CC)[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)N1CCOCC1 ZINC000303790334 676543094 /nfs/dbraw/zinc/54/30/94/676543094.db2.gz WBWJMVGDCKAXNH-MSOLQXFVSA-N 2 0 353.555 1.512 20 30 FDEDRP CC(C)[NH+]1CCC(O)(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000329935336 676664568 /nfs/dbraw/zinc/66/45/68/676664568.db2.gz QYEQGIVLNONVJD-ALOPSCKCSA-N 2 0 352.523 1.741 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)CC1 ZINC000370295955 677561985 /nfs/dbraw/zinc/56/19/85/677561985.db2.gz AYFZZTHCBKQUSI-ROUUACIJSA-N 2 0 350.507 1.268 20 30 FDEDRP C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000373872715 678067950 /nfs/dbraw/zinc/06/79/50/678067950.db2.gz SBFIHXCMHPLJGD-BQFCYCMXSA-N 2 0 350.507 1.435 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)C(C)C ZINC000419578140 680282350 /nfs/dbraw/zinc/28/23/50/680282350.db2.gz ZSHCBWPHYJDRAX-OFLPRAFFSA-N 2 0 350.507 1.187 20 30 FDEDRP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N ZINC001022105181 777952915 /nfs/dbraw/zinc/95/29/15/777952915.db2.gz SUEISPMMHUYROZ-NKGKWGDASA-N 2 0 356.470 1.644 20 30 FDEDRP C#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001075424243 777967325 /nfs/dbraw/zinc/96/73/25/777967325.db2.gz ICEYJRYCCNLIGY-NLWGTHIKSA-N 2 0 357.473 1.932 20 30 FDEDRP C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375833856 785078337 /nfs/dbraw/zinc/07/83/37/785078337.db2.gz VNLRQDPIIGPAOT-WOJBJXKFSA-N 2 0 372.513 1.398 20 30 FDEDRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(OCC#N)cc3)C2)CC[N@@H+]1C ZINC001028550233 810620498 /nfs/dbraw/zinc/62/04/98/810620498.db2.gz LIJJZCNSKCJFDZ-IMFGXOCKSA-N 2 0 370.497 1.867 20 30 FDEDRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(C#N)cc3F)C2)CC[N@@H+]1C ZINC001028550423 810621148 /nfs/dbraw/zinc/62/11/48/810621148.db2.gz PIEKNCKNQZJBLR-QGPMSJSTSA-N 2 0 358.461 1.976 20 30 FDEDRP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000262509863 811480340 /nfs/dbraw/zinc/48/03/40/811480340.db2.gz AYAPOFGUCYYQCS-INIZCTEOSA-N 2 0 373.501 1.487 20 30 FDEDRP C[NH+]=C(NCc1cccc(-n2cncn2)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262759084 811546808 /nfs/dbraw/zinc/54/68/08/811546808.db2.gz FMGMBRBQGLPWCT-SFHVURJKSA-N 2 0 367.501 1.760 20 30 FDEDRP C[NH+]=C(NCCc1nnc2n1CCCCC2)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261798482 811646597 /nfs/dbraw/zinc/64/65/97/811646597.db2.gz RFHQGDFARJLMSC-GOEBONIOSA-N 2 0 359.522 1.195 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C)C(C)C ZINC000419425891 811934985 /nfs/dbraw/zinc/93/49/85/811934985.db2.gz QFRPQMLLNXNJAH-GBESFXJTSA-N 2 0 366.550 1.782 20 30 FDEDRP CC(C)[NH+]1CCN(CCC[NH+]2CCN(c3cccc(C#N)n3)CC2)CC1 ZINC000501038747 811977713 /nfs/dbraw/zinc/97/77/13/811977713.db2.gz SKHXLPASDUQDCB-UHFFFAOYSA-N 2 0 356.518 1.491 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)C(C)C ZINC000419566809 812021789 /nfs/dbraw/zinc/02/17/89/812021789.db2.gz GZKKHMABBCTBCG-FXAWDEMLSA-N 2 0 362.518 1.013 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000419734666 812124681 /nfs/dbraw/zinc/12/46/81/812124681.db2.gz VOZCSXZPLLICFC-IBGZPJMESA-N 2 0 372.513 1.693 20 30 FDEDRP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H]1CC ZINC001087575973 821578833 /nfs/dbraw/zinc/57/88/33/821578833.db2.gz GMSKWARUWPNOIC-WCIQWLHISA-N 2 0 361.530 1.726 20 30 FDEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H]1CC ZINC001087575892 821578924 /nfs/dbraw/zinc/57/89/24/821578924.db2.gz BBKNBAHAPCUOOR-WCIQWLHISA-N 2 0 361.530 1.726 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCCOC3)[C@@H]2CC)CC1 ZINC001087840078 822558722 /nfs/dbraw/zinc/55/87/22/822558722.db2.gz GUJSHTOYBVOBBU-YSIASYRMSA-N 2 0 361.530 1.727 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCc3cnn(C)c3)[C@@H]2CC)CC1 ZINC001087840195 822559028 /nfs/dbraw/zinc/55/90/28/822559028.db2.gz LRYHRKDECJGERX-VQTJNVASSA-N 2 0 371.529 1.277 20 30 FDEDRP C[NH+]1CCC2(CCCN2C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000329084831 824567943 /nfs/dbraw/zinc/56/79/43/824567943.db2.gz UBOXNAHCJTTZRE-QZTJIDSGSA-N 2 0 364.534 1.838 20 30 FDEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992136 824952738 /nfs/dbraw/zinc/95/27/38/824952738.db2.gz FOLAPTNCRIKPFD-WSTZPKSXSA-N 2 0 359.514 1.433 20 30 FDEDRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(NCC(=O)N(C)C)=[NH+][C@H]1CCCC[C@H]1C ZINC000262322137 825155534 /nfs/dbraw/zinc/15/55/34/825155534.db2.gz SCMXIUCLDLPJDN-MXSMSXNCSA-N 2 0 363.550 1.671 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000529309874 829816875 /nfs/dbraw/zinc/81/68/75/829816875.db2.gz YTMIQLBMYHQZMT-LJQANCHMSA-N 2 0 364.534 1.827 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105669451 844220658 /nfs/dbraw/zinc/22/06/58/844220658.db2.gz RRFFUKMJBLEQHQ-VURPSTOHSA-N 2 0 363.546 1.708 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105653503 842455530 /nfs/dbraw/zinc/45/55/30/842455530.db2.gz VZDAFBVWKHRHIA-IKVWTGGYSA-N 2 0 363.546 1.870 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3CC[NH+](C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001105660802 842579028 /nfs/dbraw/zinc/57/90/28/842579028.db2.gz YOUDWAYURBTBEK-BNDYYXHWSA-N 2 0 361.530 1.318 20 30 FDEDRP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[N@@H+](C)CCC)[C@H]2C(C)C)C[C@H]1O ZINC001105667165 843516997 /nfs/dbraw/zinc/51/69/97/843516997.db2.gz OXDOKUOACIDJTC-IZBJGVDFSA-N 2 0 351.535 1.870 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@H+](C)C(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105672775 845214032 /nfs/dbraw/zinc/21/40/32/845214032.db2.gz DGPYXOGLRRXPTP-IZBJGVDFSA-N 2 0 351.535 1.869 20 30 FDEDRP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)C1CC[NH+](C)CC1 ZINC000906452237 852901437 /nfs/dbraw/zinc/90/14/37/852901437.db2.gz NNRUYBGCXXDIOB-RBUKOAKNSA-N 2 0 357.502 1.011 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CC)[C@H]2CC[N@H+](CC)C2)CC1 ZINC000668843385 857697030 /nfs/dbraw/zinc/69/70/30/857697030.db2.gz PVXSTCWVZKJTKZ-KRWDZBQOSA-N 2 0 350.507 1.086 20 30 FDEDRP CSCCC[NH+]=C(NC[C@H](C)C[NH+]1CCN(C)CC1)NC(C)(C)C ZINC000912508175 859832681 /nfs/dbraw/zinc/83/26/81/859832681.db2.gz ITFOKOIWTWBNKU-INIZCTEOSA-N 2 0 357.612 1.957 20 30 FDEDRP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C)cc1C#N ZINC001088980313 865889117 /nfs/dbraw/zinc/88/91/17/865889117.db2.gz DCJYCJPJAMNCCB-AYBZRNKSSA-N 2 0 370.497 1.988 20 30 FDEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001106195768 873319555 /nfs/dbraw/zinc/31/95/55/873319555.db2.gz JKRUBWBCUIHVLM-NVXWUHKLSA-N 2 0 363.527 1.757 20 30 FDEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001106248354 874114927 /nfs/dbraw/zinc/11/49/27/874114927.db2.gz NCDKAHQNVGDNSP-CEXWTWQISA-N 2 0 351.535 1.851 20 30 FDEDRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1 ZINC001106775495 877742892 /nfs/dbraw/zinc/74/28/92/877742892.db2.gz KVWKUBINPXUIBB-RTBURBONSA-N 2 0 351.535 1.832 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@H]2O)CC1 ZINC001078228143 898431794 /nfs/dbraw/zinc/43/17/94/898431794.db2.gz FGOJNUFXYNSIEW-WOJBJXKFSA-N 2 0 355.482 1.002 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CCOC3CCC3)[C@H](C)C2)CC1 ZINC001107034183 899847496 /nfs/dbraw/zinc/84/74/96/899847496.db2.gz MSXJPEDOOWIWCP-IEBWSBKVSA-N 2 0 361.530 1.585 20 30 FDEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273694 902289681 /nfs/dbraw/zinc/28/96/81/902289681.db2.gz MEMKRICHQCOTQE-GBESFXJTSA-N 2 0 361.530 1.844 20 30 FDEDRP C#CC[NH+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079274336 902356646 /nfs/dbraw/zinc/35/66/46/902356646.db2.gz OFZRHQKUMGVMOL-RBUKOAKNSA-N 2 0 359.514 1.435 20 30 FDEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001081683687 904932847 /nfs/dbraw/zinc/93/28/47/904932847.db2.gz HDFLIJDTKHXSJA-MKXGPGLRSA-N 2 0 365.518 1.125 20 30 FDEDRP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107443027 904940590 /nfs/dbraw/zinc/94/05/90/904940590.db2.gz VIZIPNICENLDDN-SFHLNBCPSA-N 2 0 361.530 1.871 20 30 FDEDRP C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107444450 904943416 /nfs/dbraw/zinc/94/34/16/904943416.db2.gz IRXAINNCTHSCIW-IMFGXOCKSA-N 2 0 364.534 1.236 20 30 FDEDRP C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107614056 905990320 /nfs/dbraw/zinc/99/03/20/905990320.db2.gz NYFRUAVPAOTOEV-YLJYHZDGSA-N 2 0 364.534 1.381 20 30 FDEDRP C=CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)CC[N@@H+](C)CCC)CCC[C@@H]12 ZINC001107616020 906008781 /nfs/dbraw/zinc/00/87/81/906008781.db2.gz OWEGWRBECKXWHM-YLJYHZDGSA-N 2 0 364.534 1.381 20 30 FDEDRP C=CCC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n2)C1 ZINC001127832913 906475339 /nfs/dbraw/zinc/47/53/39/906475339.db2.gz SEIIWUZEKIPSPA-NZSAHSFTSA-N 2 0 371.529 1.782 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080935514 906725651 /nfs/dbraw/zinc/72/56/51/906725651.db2.gz XQCFVBXHPASOME-HHXXYDBFSA-N 2 0 356.470 1.477 20 30 FDEDRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)cc1C#N ZINC001082921783 910924571 /nfs/dbraw/zinc/92/45/71/910924571.db2.gz JASOTBWNJQAUEQ-CRAIPNDOSA-N 2 0 356.470 1.599 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)CCC)C2 ZINC001112567872 931646053 /nfs/dbraw/zinc/64/60/53/931646053.db2.gz MCZPONDKSBKJCE-UWVAXJGDSA-N 2 0 364.534 1.237 20 30 FDEDRP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001086588278 933608110 /nfs/dbraw/zinc/60/81/10/933608110.db2.gz NHUDKZHDQCLNGW-PWRODBHTSA-N 2 0 351.494 1.936 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001130056971 938641203 /nfs/dbraw/zinc/64/12/03/938641203.db2.gz CGVYBLOQSOESKC-SQNIBIBYSA-N 2 0 360.506 1.009 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130602522 939914268 /nfs/dbraw/zinc/91/42/68/939914268.db2.gz GDCPKNUDUHCPPZ-LZLYRXPVSA-N 2 0 365.497 1.560 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1c1cn(C)cn1 ZINC001130616774 939928044 /nfs/dbraw/zinc/92/80/44/939928044.db2.gz ASMXDYISXDMYHK-PKOBYXMFSA-N 2 0 368.485 1.412 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130687480 939977134 /nfs/dbraw/zinc/97/71/34/939977134.db2.gz BWHBYUWLAQQGIK-PKOBYXMFSA-N 2 0 357.502 1.059 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130704507 939985417 /nfs/dbraw/zinc/98/54/17/939985417.db2.gz RGBBKFCCUJUCJR-PKOBYXMFSA-N 2 0 357.502 1.059 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131035469 940464901 /nfs/dbraw/zinc/46/49/01/940464901.db2.gz BHPWSEMXJUQRQC-QWFCFKBJSA-N 2 0 369.513 1.202 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cncn1C ZINC001131108046 940502466 /nfs/dbraw/zinc/50/24/66/940502466.db2.gz HIVLOKJJJYAHKE-IAGOWNOFSA-N 2 0 357.502 1.366 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1c1cncn1C ZINC001131127941 940509917 /nfs/dbraw/zinc/50/99/17/940509917.db2.gz NCQKMXKACNLQBX-QZTJIDSGSA-N 2 0 357.502 1.203 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1c1cncn1C ZINC001131132448 940512606 /nfs/dbraw/zinc/51/26/06/940512606.db2.gz LCFNXYHEOCZHJS-KZNAEPCWSA-N 2 0 357.502 1.202 20 30 FDEDRP C=CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001131316566 940551032 /nfs/dbraw/zinc/55/10/32/940551032.db2.gz NILDPIUQLDXDAY-BBWFWOEESA-N 2 0 364.490 1.010 20 30 FDEDRP C=C(C[NH+](C)C)C(=O)NC(C)(C)C1CCN(C(=O)C(=C)C[NH+](C)C)CC1 ZINC000817612839 942856524 /nfs/dbraw/zinc/85/65/24/942856524.db2.gz KEFSNTULEMXNHX-UHFFFAOYSA-N 2 0 364.534 1.355 20 30 FDEDRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)c3ccc(C#N)cc3)cn2)CC1 ZINC000818960332 943343200 /nfs/dbraw/zinc/34/32/00/943343200.db2.gz AXKZCEKWRJHCGJ-HXUWFJFHSA-N 2 0 365.481 1.918 20 30 FDEDRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCC(=O)N(C)CCC#N)C2)ccn1 ZINC000856585212 971235771 /nfs/dbraw/zinc/23/57/71/971235771.db2.gz AZLHZUGHPGYIPL-IBGZPJMESA-N 2 0 373.501 1.749 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1c1ccc(OC)cc1 ZINC001090879520 947575534 /nfs/dbraw/zinc/57/55/34/947575534.db2.gz NEQNKYBZNIYMLK-BVPXEZJJSA-N 2 0 369.509 1.943 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccns3)C2)CC1 ZINC001086882244 952913965 /nfs/dbraw/zinc/91/39/65/952913965.db2.gz IFHMEJNJWDSHCH-DOTOQJQBSA-N 2 0 360.527 1.863 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@H]3CCCCO3)C2)CC1 ZINC001086882431 952914444 /nfs/dbraw/zinc/91/44/44/952914444.db2.gz QGRTVKBTUSYMIM-DFQSSKMNSA-N 2 0 361.530 1.775 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C)n(C)n3)C2)CC1 ZINC001086882403 952914451 /nfs/dbraw/zinc/91/44/51/952914451.db2.gz PNLVZIONZWBVIF-PKOBYXMFSA-N 2 0 371.529 1.448 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1c1cnn(C)c1 ZINC001086996740 953038714 /nfs/dbraw/zinc/03/87/14/953038714.db2.gz SKXULFRIYHWFPG-ZWKOTPCHSA-N 2 0 359.518 1.612 20 30 FDEDRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001087035126 953144107 /nfs/dbraw/zinc/14/41/07/953144107.db2.gz MSHGZUUMTUMDHD-VAMGGRTRSA-N 2 0 370.497 1.606 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CC3CCC3)[C@H](OCC)C2)CC1 ZINC001087102629 953275537 /nfs/dbraw/zinc/27/55/37/953275537.db2.gz MWSUAJZVQPZKKN-WOJBJXKFSA-N 2 0 361.530 1.585 20 30 FDEDRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CC#Cc4ccc(F)cc4)C[C@@]3(C)C2)C1 ZINC001092273236 954656018 /nfs/dbraw/zinc/65/60/18/954656018.db2.gz MXKIZZVAJDBOCC-JQVVWYNYSA-N 2 0 369.484 1.909 20 30 FDEDRP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1nccn12 ZINC001092371167 955041240 /nfs/dbraw/zinc/04/12/40/955041240.db2.gz XMCXPFFUBMUGPV-BRWVUGGUSA-N 2 0 357.502 1.761 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092505372 955279096 /nfs/dbraw/zinc/27/90/96/955279096.db2.gz NRSMHSIEARUKDL-LSBZLQRGSA-N 2 0 358.461 1.976 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093193845 957752506 /nfs/dbraw/zinc/75/25/06/957752506.db2.gz NMRNEFADKAHWHR-BHIYHBOVSA-N 2 0 370.497 1.725 20 30 FDEDRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001094169630 959962869 /nfs/dbraw/zinc/96/28/69/959962869.db2.gz RKWMLCFUUPVCOT-HUUCEWRRSA-N 2 0 358.511 1.900 20 30 FDEDRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001094221133 960046584 /nfs/dbraw/zinc/04/65/84/960046584.db2.gz RPBKEPOXAHZZPY-CRAIPNDOSA-N 2 0 358.461 1.977 20 30 FDEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCCOCCOCCOCCC[NH3+] ZINC001172302671 961615649 /nfs/dbraw/zinc/61/56/49/961615649.db2.gz OMQIUVCWHDHGTA-GOSISDBHSA-N 2 0 363.502 1.868 20 30 FDEDRP COCCC1([NH3+])CC[NH+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173426823 962137706 /nfs/dbraw/zinc/13/77/06/962137706.db2.gz GUSKSYSAHQOHFB-UHFFFAOYSA-N 2 0 370.497 1.993 20 30 FDEDRP CC[NH+](CC)CCNC(=[NH2+])NC1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173429426 962145746 /nfs/dbraw/zinc/14/57/46/962145746.db2.gz WTKWADFXGVEYFQ-UHFFFAOYSA-N 2 0 370.501 1.619 20 30 FDEDRP C[NH+](C)CCNC(=O)c1noc2c1C[N@@H+](C1CCC(C)(C#N)CC1)CC2 ZINC001173595461 962470605 /nfs/dbraw/zinc/47/06/05/962470605.db2.gz PBZMDIYKGCPULT-UHFFFAOYSA-N 2 0 359.474 1.797 20 30 FDEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173766128 962658681 /nfs/dbraw/zinc/65/86/81/962658681.db2.gz FUGLROIRRUXQMS-MOPGFXCFSA-N 2 0 359.522 1.448 20 30 FDEDRP C[NH+](C)CCOc1ccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1 ZINC000884186104 982961994 /nfs/dbraw/zinc/96/19/94/982961994.db2.gz QFIRCCYLKLLYNP-GNZRSQJKSA-N 2 0 356.470 1.383 20 30 FDEDRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884287823 983059010 /nfs/dbraw/zinc/05/90/10/983059010.db2.gz NAEBGMCNSYKLMD-OHTSDLOESA-N 2 0 358.461 1.855 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H](C#N)CCc2ccccc2)C[C@H]1C[NH+](C)C ZINC000870019844 985524234 /nfs/dbraw/zinc/52/42/34/985524234.db2.gz SQKFHLBNKVAVKN-VAMGGRTRSA-N 2 0 356.514 1.957 20 30 FDEDRP C#CC[N@@H+](C)CCCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000297218903 989497376 /nfs/dbraw/zinc/49/73/76/989497376.db2.gz DZLGZWCIABYNJX-UHFFFAOYSA-N 2 0 355.486 1.587 20 30 FDEDRP C=CCN1CC[C@@H]([NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1=O ZINC000410388228 991297598 /nfs/dbraw/zinc/29/75/98/991297598.db2.gz YDICTXFJCCIHFP-QGZVFWFLSA-N 2 0 364.534 1.189 20 30 FDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000876784488 992912197 /nfs/dbraw/zinc/91/21/97/992912197.db2.gz HLVJEQYHWDAAQQ-KRWDZBQOSA-N 2 0 366.893 1.721 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877327848 993212370 /nfs/dbraw/zinc/21/23/70/993212370.db2.gz XYOPVHLTOFVKGC-SJLPKXTDSA-N 2 0 354.454 1.020 20 30 FDEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1scnc1C ZINC001095556359 993441515 /nfs/dbraw/zinc/44/15/15/993441515.db2.gz NJVAQCBODJFAID-OWSLCNJRSA-N 2 0 372.538 1.813 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000264114005 997404245 /nfs/dbraw/zinc/40/42/45/997404245.db2.gz PNMMQGJHENIHCL-RDJZCZTQSA-N 2 0 360.506 1.195 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000270405534 999554106 /nfs/dbraw/zinc/55/41/06/999554106.db2.gz GNQZTYYPASNKFS-ZWKOTPCHSA-N 2 0 357.502 1.424 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC000284883841 999877978 /nfs/dbraw/zinc/87/79/78/999877978.db2.gz GRIZXKFMSUFGAK-UHFFFAOYSA-N 2 0 372.513 1.521 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000928652780 1001609844 /nfs/dbraw/zinc/60/98/44/1001609844.db2.gz MFVAADYOQOBBBG-JXMROGBWSA-N 2 0 355.482 1.854 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000928658030 1001613017 /nfs/dbraw/zinc/61/30/17/1001613017.db2.gz JNZOKYHSJALUFT-UHFFFAOYSA-N 2 0 368.525 1.803 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000303889887 1009676736 /nfs/dbraw/zinc/67/67/36/1009676736.db2.gz MGOPOKLGSHEINI-SOLBZPMBSA-N 2 0 374.533 1.584 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCOCC2)c(F)c1 ZINC000303906170 1009688129 /nfs/dbraw/zinc/68/81/29/1009688129.db2.gz ZTJCCKFMHULUOU-MRXNPFEDSA-N 2 0 363.481 1.551 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000517317276 539362634 /nfs/dbraw/zinc/36/26/34/539362634.db2.gz CWQOBWVVMVFVGW-UHFFFAOYSA-N 2 0 351.539 1.354 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000528397668 539755745 /nfs/dbraw/zinc/75/57/45/539755745.db2.gz SUVDZXMTJKKILX-LJQANCHMSA-N 2 0 373.497 1.875 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000553326843 543609882 /nfs/dbraw/zinc/60/98/82/543609882.db2.gz GLFWVYBGUYKFLD-DOTOQJQBSA-N 2 0 350.507 1.084 20 30 FDEDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000368417929 260180463 /nfs/dbraw/zinc/18/04/63/260180463.db2.gz VFJXWIUXFFHSGV-FRTACKCFSA-N 2 0 373.497 1.777 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1 ZINC000067202763 523356814 /nfs/dbraw/zinc/35/68/14/523356814.db2.gz XMPZUPXJSHOCMI-UHFFFAOYSA-N 2 0 352.482 1.794 20 30 FDEDRP CCN(CCC#N)C(=O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177496253 525300664 /nfs/dbraw/zinc/30/06/64/525300664.db2.gz QZRSPMXEZQLZNI-HDICACEKSA-N 2 0 364.534 1.960 20 30 FDEDRP N#Cc1ccsc1NC(=O)CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000170784462 525714155 /nfs/dbraw/zinc/71/41/55/525714155.db2.gz AMWKTPVEYNMJDQ-UHFFFAOYSA-N 2 0 362.499 1.993 20 30 FDEDRP CN(CC[N@H+](C)CCC(=O)Nc1sccc1C#N)C1CC[NH+](C)CC1 ZINC000180935431 525777968 /nfs/dbraw/zinc/77/79/68/525777968.db2.gz LSFJPFQOZJYDIT-UHFFFAOYSA-N 2 0 363.531 1.906 20 30 FDEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181631194 525883896 /nfs/dbraw/zinc/88/38/96/525883896.db2.gz OFMWZKRBZABWIJ-JKSUJKDBSA-N 2 0 360.477 1.756 20 30 FDEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1OC ZINC000414992999 537953487 /nfs/dbraw/zinc/95/34/87/537953487.db2.gz SKQKFAQUZDYYDK-UTKZUKDTSA-N 2 0 373.497 1.996 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)C(C)C ZINC000417073534 537997822 /nfs/dbraw/zinc/99/78/22/537997822.db2.gz YAQUHXLBRBXWEG-RTBURBONSA-N 2 0 363.550 1.374 20 30 FDEDRP N#Cc1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000487721880 538678648 /nfs/dbraw/zinc/67/86/48/538678648.db2.gz DURDGTYCVNIBIB-UHFFFAOYSA-N 2 0 355.467 1.957 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000569442557 548918032 /nfs/dbraw/zinc/91/80/32/548918032.db2.gz VRPXHNRSYRXEEX-UHFFFAOYSA-N 2 0 364.534 1.381 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000569921198 549095230 /nfs/dbraw/zinc/09/52/30/549095230.db2.gz OIRKPMJSHMRHQC-IEBWSBKVSA-N 2 0 359.470 1.388 20 30 FDEDRP C[NH+](C)Cc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000570315913 549236349 /nfs/dbraw/zinc/23/63/49/549236349.db2.gz GZHKKBSFXFTCBJ-UHFFFAOYSA-N 2 0 358.467 1.578 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000572584986 549947881 /nfs/dbraw/zinc/94/78/81/549947881.db2.gz VZUWEBFBIOOAOE-UHFFFAOYSA-N 2 0 364.534 1.381 20 30 FDEDRP CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(Cc3ccc(C#N)cn3)C2)CC1 ZINC000575327477 550453757 /nfs/dbraw/zinc/45/37/57/550453757.db2.gz XLLNRGVFYGGUPV-IBGZPJMESA-N 2 0 355.486 1.719 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000580315481 550965992 /nfs/dbraw/zinc/96/59/92/550965992.db2.gz BBFYPXRSDBCMSP-YZGWKJHDSA-N 2 0 359.470 1.265 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000583221551 551321491 /nfs/dbraw/zinc/32/14/91/551321491.db2.gz YNVGQHLOBBPZOM-KRWDZBQOSA-N 2 0 366.550 1.626 20 30 FDEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(CCC#N)CC2)C1 ZINC000592135796 551948007 /nfs/dbraw/zinc/94/80/07/551948007.db2.gz QHYGCCLDSRAOAE-GOSISDBHSA-N 2 0 350.507 1.475 20 30 FDEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(CCC#N)CC2)C1 ZINC000592135798 551948062 /nfs/dbraw/zinc/94/80/62/551948062.db2.gz QHYGCCLDSRAOAE-SFHVURJKSA-N 2 0 350.507 1.475 20 30 FDEDRP N#CC[C@]1(O)CC[N@H+](Cc2ccc(C[NH+]3CC[C@](O)(CC#N)C3)cc2)C1 ZINC000592149590 551950249 /nfs/dbraw/zinc/95/02/49/551950249.db2.gz RUWPGXRHIZFOIA-BGYRXZFFSA-N 2 0 354.454 1.388 20 30 FDEDRP CN(C(=O)[C@@H]([NH3+])CCCCC#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000594438643 552310281 /nfs/dbraw/zinc/31/02/81/552310281.db2.gz PEESIVSPXJPNJX-IBGZPJMESA-N 2 0 357.502 1.958 20 30 FDEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)cc2)CC1 ZINC000600720543 553307113 /nfs/dbraw/zinc/30/71/13/553307113.db2.gz ZKHGBPJGTOZWLA-FQEVSTJZSA-N 2 0 356.514 1.968 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1([S@@](C)=O)CC[NH2+]CC1)C(C)C ZINC000602471800 553588411 /nfs/dbraw/zinc/58/84/11/553588411.db2.gz IVQYVCVWUAWPAX-UPCLLVRISA-N 2 0 355.548 1.302 20 30 FDEDRP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000609166857 554345697 /nfs/dbraw/zinc/34/56/97/554345697.db2.gz GGCLMLDZDYEMDI-LJQANCHMSA-N 2 0 357.502 1.988 20 30 FDEDRP C[NH+]=C(NC[C@]1([NH+](C)C)CCC[C@H](C)C1)N1CCC(C(=O)OC)CC1 ZINC000073629448 671402965 /nfs/dbraw/zinc/40/29/65/671402965.db2.gz JSOSVZPWRJUUAS-KXBFYZLASA-N 2 0 352.523 1.957 20 30 FDEDRP C[NH+]=C(NC[C@H]1CCC[N@@H+](C(C)C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261968295 672704277 /nfs/dbraw/zinc/70/42/77/672704277.db2.gz MAJKXKWNAQYNAS-OAHLLOKOSA-N 2 0 358.552 1.191 20 30 FDEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000262023122 672713545 /nfs/dbraw/zinc/71/35/45/672713545.db2.gz ZEMNSNHSMVOTOP-UONOGXRCSA-N 2 0 350.898 1.430 20 30 FDEDRP CC[NH+]=C(NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)NC1CCN(C(C)=O)CC1 ZINC000262191177 672743671 /nfs/dbraw/zinc/74/36/71/672743671.db2.gz GADBHMXGTMDBHO-HOTGVXAUSA-N 2 0 351.539 1.815 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000303787784 676543089 /nfs/dbraw/zinc/54/30/89/676543089.db2.gz SUIWMMFDUAJINJ-MRXNPFEDSA-N 2 0 353.511 1.632 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000303971859 676543935 /nfs/dbraw/zinc/54/39/35/676543935.db2.gz FFJAOXBPADMRAV-HNNXBMFYSA-N 2 0 353.511 1.775 20 30 FDEDRP COC[C@@H](C)NC(=[NH2+])NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000304759767 676544545 /nfs/dbraw/zinc/54/45/45/676544545.db2.gz RNRWFWBHIJVNIT-OAHLLOKOSA-N 2 0 367.925 1.791 20 30 FDEDRP C[NH+]1CCC[C@@H]1C(=O)N1CCSC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000329014269 676616139 /nfs/dbraw/zinc/61/61/39/676616139.db2.gz JJALPJVLURXPOE-RRFJBIMHSA-N 2 0 354.520 1.075 20 30 FDEDRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000329056044 676617703 /nfs/dbraw/zinc/61/77/03/676617703.db2.gz MEXZKPOWFLCEJK-QGZVFWFLSA-N 2 0 353.507 1.946 20 30 FDEDRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330190101 676677414 /nfs/dbraw/zinc/67/74/14/676677414.db2.gz VWSCREAOKOPNMU-TVFCKZIOSA-N 2 0 350.507 1.495 20 30 FDEDRP C[N@@H+]1CC[C@]2(CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C2)C1 ZINC000330227770 676679679 /nfs/dbraw/zinc/67/96/79/676679679.db2.gz VBDYDSLHGOZGBA-LMMKCTJWSA-N 2 0 350.507 1.306 20 30 FDEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001104350696 776385365 /nfs/dbraw/zinc/38/53/65/776385365.db2.gz FRPVLVJHRCPBPF-QZTJIDSGSA-N 2 0 351.535 1.995 20 30 FDEDRP CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H]([NH+](C)C)C3)cn2)CC1 ZINC000328911168 779338342 /nfs/dbraw/zinc/33/83/42/779338342.db2.gz GEVNUTVPILDRQA-KRWDZBQOSA-N 2 0 360.506 1.273 20 30 FDEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2nccn2C1 ZINC000364527705 785081605 /nfs/dbraw/zinc/08/16/05/785081605.db2.gz ALNNGLQMAPWPLE-GOSISDBHSA-N 2 0 351.454 1.908 20 30 FDEDRP C=CCS(=O)(=O)CC[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000782968778 789390808 /nfs/dbraw/zinc/39/08/08/789390808.db2.gz QONRKCVAAJCZHJ-UHFFFAOYSA-N 2 0 365.543 1.909 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(OCC#N)cc3)C2)CC[N@@H+]1C ZINC001026852806 800007439 /nfs/dbraw/zinc/00/74/39/800007439.db2.gz QUQSOICVTCMIBO-YVWKXTFCSA-N 2 0 370.497 1.867 20 30 FDEDRP C[NH+]=C(NCC1CC[NH+](C)CC1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000261707708 810071406 /nfs/dbraw/zinc/07/14/06/810071406.db2.gz JRHVSGIPILFPTP-IBGZPJMESA-N 2 0 366.550 1.954 20 30 FDEDRP C[NH+]=C(NCc1nnc2n1CCC2)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000261935027 811347803 /nfs/dbraw/zinc/34/78/03/811347803.db2.gz CEYXMFCRXMDHTN-RDJZCZTQSA-N 2 0 367.501 1.552 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000272993814 814785482 /nfs/dbraw/zinc/78/54/82/814785482.db2.gz SYXZCCGNEDZZLE-RTBURBONSA-N 3 0 359.518 1.142 20 30 FDEDRP C[NH+]=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)N1CC[C@@]2(CCOC2)C1 ZINC000261969935 817868717 /nfs/dbraw/zinc/86/87/17/817868717.db2.gz MNZNKBUAJFZERF-TZIWHRDSSA-N 2 0 372.513 1.575 20 30 FDEDRP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)C[C@@H]1[NH+](C)C ZINC000329317505 824732025 /nfs/dbraw/zinc/73/20/25/824732025.db2.gz HWAVZQJQDMCKFW-MXSMSXNCSA-N 2 0 362.522 1.599 20 30 FDEDRP CC[NH+]=C(NCC(C)(C)[NH+]1CCC(OC)CC1)N1CCN(C(C)=O)CC1 ZINC000262333400 825295283 /nfs/dbraw/zinc/29/52/83/825295283.db2.gz BJFYHVAGWOHAON-UHFFFAOYSA-N 2 0 367.538 1.005 20 30 FDEDRP C[C@@H]1C[C@@H](NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC[N@@H+]1C ZINC000329815675 825478259 /nfs/dbraw/zinc/47/82/59/825478259.db2.gz NWQKSALXVSXHBJ-WBVHZDCISA-N 2 0 360.506 1.320 20 30 FDEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047150 825590348 /nfs/dbraw/zinc/59/03/48/825590348.db2.gz IPRUKTCUSSCDCO-TUKJNDCMSA-N 2 0 359.514 1.596 20 30 FDEDRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)CC[C@H]21 ZINC000330221159 825739820 /nfs/dbraw/zinc/73/98/20/825739820.db2.gz LJCWABDVBZYLOK-OWYHZJEWSA-N 2 0 364.534 1.694 20 30 FDEDRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000523734648 828261896 /nfs/dbraw/zinc/26/18/96/828261896.db2.gz AMOZUSACQCAXCU-FQEVSTJZSA-N 2 0 366.465 1.857 20 30 FDEDRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000523734649 828262307 /nfs/dbraw/zinc/26/23/07/828262307.db2.gz AMOZUSACQCAXCU-HXUWFJFHSA-N 2 0 366.465 1.857 20 30 FDEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NCCN2CCC[N@H+](C)CC2)c1 ZINC000303878172 830333266 /nfs/dbraw/zinc/33/32/66/830333266.db2.gz JAXUPTMUMAQRIM-UHFFFAOYSA-N 2 0 363.506 1.848 20 30 FDEDRP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105669205 844145796 /nfs/dbraw/zinc/14/57/96/844145796.db2.gz PUMOOUAAQZAEFD-JYBIWHBTSA-N 2 0 351.535 1.870 20 30 FDEDRP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)[N@@H+](C)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105641866 842307160 /nfs/dbraw/zinc/30/71/60/842307160.db2.gz FJMOTEDJLSBQGO-PDOICOKGSA-N 2 0 351.535 1.869 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C)C(C)C ZINC000480513449 845374905 /nfs/dbraw/zinc/37/49/05/845374905.db2.gz CXUAOSUQKYDNQN-GUDVDZBRSA-N 2 0 366.550 1.782 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@H+](C)C(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105676280 845886002 /nfs/dbraw/zinc/88/60/02/845886002.db2.gz VDQGICHYKAISMG-JYBIWHBTSA-N 2 0 351.535 1.869 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000481881126 847068162 /nfs/dbraw/zinc/06/81/62/847068162.db2.gz ZDVPIDMIJUFAJL-DLBZAZTESA-N 2 0 364.534 1.380 20 30 FDEDRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001076457478 848180350 /nfs/dbraw/zinc/18/03/50/848180350.db2.gz FQUODGCSWGTHEN-HSALFYBXSA-N 2 0 352.482 1.933 20 30 FDEDRP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)C1CC[NH+](C)CC1 ZINC000906452235 852901390 /nfs/dbraw/zinc/90/13/90/852901390.db2.gz NNRUYBGCXXDIOB-MOPGFXCFSA-N 2 0 357.502 1.011 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000668835882 857528805 /nfs/dbraw/zinc/52/88/05/857528805.db2.gz LPHRSMKWHNTHGW-KRWDZBQOSA-N 2 0 362.518 1.276 20 30 FDEDRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001106877837 881866276 /nfs/dbraw/zinc/86/62/76/881866276.db2.gz ASKQMZXCNDVQHJ-VQIMIIECSA-N 2 0 358.486 1.321 20 30 FDEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3cnc(C)n3C2)C[C@H]1C ZINC001106590888 876056655 /nfs/dbraw/zinc/05/66/55/876056655.db2.gz CYKIFINKDOARQK-KBAYOESNSA-N 2 0 358.486 1.088 20 30 FDEDRP C[NH+](C)[C@H](CNc1ccc(C#N)c(NC[C@H](C2CC2)[NH+](C)C)n1)C1CC1 ZINC000436397809 887287835 /nfs/dbraw/zinc/28/78/35/887287835.db2.gz ASIDLJVKWCJESP-QZTJIDSGSA-N 2 0 356.518 2.457 20 30 FDEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001112543852 889641009 /nfs/dbraw/zinc/64/10/09/889641009.db2.gz ZNTTXLYNJDMEMD-ICSRJNTNSA-N 2 0 357.502 1.300 20 30 FDEDRP C=CCN1CC(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)CC2)C1 ZINC000941578527 895331329 /nfs/dbraw/zinc/33/13/29/895331329.db2.gz LHNVSXCQRCCQSP-RTWAWAEBSA-N 2 0 368.525 1.346 20 30 FDEDRP C#CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)n1 ZINC001128106842 896955344 /nfs/dbraw/zinc/95/53/44/896955344.db2.gz GXCPPZIQILVEMG-CEXWTWQISA-N 2 0 369.513 1.230 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](CC)c3ccccc3)C[C@H]2O)CC1 ZINC001078227168 898429556 /nfs/dbraw/zinc/42/95/56/898429556.db2.gz MFHBDFSILQVMFP-NJDAHSKKSA-N 2 0 369.509 1.644 20 30 FDEDRP C#CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079135810 902002805 /nfs/dbraw/zinc/00/28/05/902002805.db2.gz OGVRTCRTZMTYAU-CWJKEVGVSA-N 2 0 369.509 1.424 20 30 FDEDRP C#CCN1CC[NH+](C2CCC(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)CC1 ZINC000996775180 905312549 /nfs/dbraw/zinc/31/25/49/905312549.db2.gz DVANJMCACOMISU-GHBBCFCZSA-N 2 0 360.546 1.395 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080779341 906242811 /nfs/dbraw/zinc/24/28/11/906242811.db2.gz KMUQSZCSYRJIDQ-YVWKXTFCSA-N 2 0 370.497 1.867 20 30 FDEDRP C#CCC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n2)C1 ZINC001127838641 906574695 /nfs/dbraw/zinc/57/46/95/906574695.db2.gz BNRLTMNORPTFOI-BHIYHBOVSA-N 2 0 369.513 1.230 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3oc(C)nc3C)C[C@H]2C)CC1 ZINC001080997722 906972099 /nfs/dbraw/zinc/97/20/99/906972099.db2.gz JVOOVHDPWCURHP-RDTXWAMCSA-N 2 0 358.486 1.573 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001082515674 908186055 /nfs/dbraw/zinc/18/60/55/908186055.db2.gz UQNSNTHISUGBBS-LXGCGDOSSA-N 2 0 370.472 1.976 20 30 FDEDRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2C)cc1C#N ZINC001082740776 909936790 /nfs/dbraw/zinc/93/67/90/909936790.db2.gz GGNBLSHPKXKTMO-GPMSIDNRSA-N 2 0 370.497 1.988 20 30 FDEDRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC001082861832 910523229 /nfs/dbraw/zinc/52/32/29/910523229.db2.gz PZEHHLFKSKVDOU-ZRGWGRIASA-N 2 0 358.461 1.976 20 30 FDEDRP C[C@@H]1CN(C)C[C@H](C(=O)N(C)C2CC([NH2+]Cc3cccc(C#N)c3)C2)O1 ZINC000998982140 911931520 /nfs/dbraw/zinc/93/15/20/911931520.db2.gz AGDJSCVGPYHFHV-YOODTLSXSA-N 2 0 356.470 1.356 20 30 FDEDRP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)C[C@@H]21 ZINC001084957559 918840643 /nfs/dbraw/zinc/84/06/43/918840643.db2.gz GUCOYVIOOXCREV-RLLQIKCJSA-N 2 0 359.514 1.576 20 30 FDEDRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cccc(C#N)c4)[C@H]3C2)C1 ZINC001085092956 920811735 /nfs/dbraw/zinc/81/17/35/920811735.db2.gz XRQYRBIKNQGDFZ-AABGKKOBSA-N 2 0 352.482 1.933 20 30 FDEDRP CC(C)[NH+]1CCN(CCC[NH+]2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000282590355 922184279 /nfs/dbraw/zinc/18/42/79/922184279.db2.gz GQKLYSYGJKQIBE-UHFFFAOYSA-N 2 0 356.518 1.491 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@@H]1n1ccnn1 ZINC001129892373 938543270 /nfs/dbraw/zinc/54/32/70/938543270.db2.gz ULVXGUFYQDAZLW-QRVBRYPASA-N 2 0 370.501 1.050 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130083607 938664953 /nfs/dbraw/zinc/66/49/53/938664953.db2.gz CQVIAJVCNMAYDG-CEXWTWQISA-N 2 0 368.485 1.499 20 30 FDEDRP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001130304828 938803032 /nfs/dbraw/zinc/80/30/32/938803032.db2.gz BKVMGZCQLGTNMQ-NZSAHSFTSA-N 2 0 364.534 1.234 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1cn(C)cn1 ZINC001130607711 939919334 /nfs/dbraw/zinc/91/93/34/939919334.db2.gz LHTYCKUDWXWVQP-PKOBYXMFSA-N 2 0 359.518 1.755 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130687840 939977928 /nfs/dbraw/zinc/97/79/28/939977928.db2.gz SUIMVBSYODRURO-DFQSSKMNSA-N 2 0 371.529 1.590 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1c1cn(C)cn1 ZINC001130734485 940034810 /nfs/dbraw/zinc/03/48/10/940034810.db2.gz SCNIDCDLSJRRMD-PKOBYXMFSA-N 2 0 359.518 1.756 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1c1cncn1C ZINC001130994093 940416024 /nfs/dbraw/zinc/41/60/24/940416024.db2.gz FXOPNFRFHOPXQD-KZNAEPCWSA-N 2 0 357.502 1.222 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1c1cncn1C ZINC001131038560 940467175 /nfs/dbraw/zinc/46/71/75/940467175.db2.gz XSIVKOQGTODJED-IAGOWNOFSA-N 2 0 359.518 1.755 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001131082121 940487836 /nfs/dbraw/zinc/48/78/36/940487836.db2.gz JLRFDIJRRGJNRZ-GUDVDZBRSA-N 2 0 371.529 1.590 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1c1cncn1C ZINC001131096715 940497361 /nfs/dbraw/zinc/49/73/61/940497361.db2.gz MCDKSGQLHCAQFP-QZTJIDSGSA-N 2 0 359.518 1.612 20 30 FDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cncn1C ZINC001131130336 940510977 /nfs/dbraw/zinc/51/09/77/940510977.db2.gz HARSAGVACOFZQK-KZNAEPCWSA-N 2 0 361.534 1.999 20 30 FDEDRP C=CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001131316757 940551009 /nfs/dbraw/zinc/55/10/09/940551009.db2.gz UPTYTYFKQIBHBV-ZACQAIPSSA-N 2 0 364.490 1.010 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001131592917 940763878 /nfs/dbraw/zinc/76/38/78/940763878.db2.gz CFPLSXQAOOFJOF-QUCCMNQESA-N 2 0 367.534 1.517 20 30 FDEDRP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001131608825 940788674 /nfs/dbraw/zinc/78/86/74/940788674.db2.gz PIMQYGMXYODQHJ-CTNGQTDRSA-N 2 0 361.530 1.871 20 30 FDEDRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000819092124 943416354 /nfs/dbraw/zinc/41/63/54/943416354.db2.gz RUTORQOEKSVCGL-GOSISDBHSA-N 2 0 370.522 1.985 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1ccc(OC)cc1 ZINC001090875504 947493417 /nfs/dbraw/zinc/49/34/17/947493417.db2.gz WZRYSSYUHBXECX-VQTJNVASSA-N 2 0 367.493 1.841 20 30 FDEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3ccc(C#N)s3)C[C@@]2(C)C1 ZINC001091544200 951982525 /nfs/dbraw/zinc/98/25/25/951982525.db2.gz WHNHEWGMQRZRLB-BJZITVGISA-N 2 0 358.511 1.994 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccn3)C2)CC1 ZINC001086882335 952913905 /nfs/dbraw/zinc/91/39/05/952913905.db2.gz MOROQXAXMFWNBF-PKOBYXMFSA-N 2 0 354.498 1.801 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnoc3C)C2)CC1 ZINC001086882520 952914194 /nfs/dbraw/zinc/91/41/94/952914194.db2.gz UQZIEIHWDZIOFR-QFBILLFUSA-N 2 0 358.486 1.703 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1c1cnn(C)c1 ZINC001087002344 953057549 /nfs/dbraw/zinc/05/75/49/953057549.db2.gz UROGEJPNPKHURX-VQTJNVASSA-N 2 0 365.481 1.313 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1c1cnn(C)c1 ZINC001087010721 953102370 /nfs/dbraw/zinc/10/23/70/953102370.db2.gz NVOYHXRAJCVCJC-VQTJNVASSA-N 2 0 365.481 1.313 20 30 FDEDRP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2 ZINC001092275948 954670821 /nfs/dbraw/zinc/67/08/21/954670821.db2.gz XUGBLWQTQVYPQP-CTNGQTDRSA-N 2 0 352.482 1.934 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092504264 955275537 /nfs/dbraw/zinc/27/55/37/955275537.db2.gz JWLJYUXTLBKXFW-BJZITVGISA-N 2 0 358.461 1.976 20 30 FDEDRP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C34CCC[NH+]3CCC4)[C@H]2C(C)C)C[C@H]1O ZINC001093453026 958261455 /nfs/dbraw/zinc/26/14/55/958261455.db2.gz SEMSEUHPAAWBLB-FTEYMNFISA-N 2 0 361.530 1.767 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C(C)C)C[C@H]1O ZINC001093457507 958281197 /nfs/dbraw/zinc/28/11/97/958281197.db2.gz KUBBSEXFTUGNAC-ANTGDGSKSA-N 2 0 366.465 1.547 20 30 FDEDRP C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001197657438 972339450 /nfs/dbraw/zinc/33/94/50/972339450.db2.gz HPKRLWOZGNWTRE-KZNAEPCWSA-N 2 0 353.507 1.005 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001094220005 960040652 /nfs/dbraw/zinc/04/06/52/960040652.db2.gz ZUOBEQWDCYKAFK-ZTFGCOKTSA-N 2 0 358.461 1.833 20 30 FDEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173766130 962659352 /nfs/dbraw/zinc/65/93/52/962659352.db2.gz FUGLROIRRUXQMS-RBUKOAKNSA-N 2 0 359.522 1.448 20 30 FDEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001183043696 962756325 /nfs/dbraw/zinc/75/63/25/962756325.db2.gz VYKQIZMOSYOFRZ-UXHICEINSA-N 2 0 370.497 1.535 20 30 FDEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001185784009 964102121 /nfs/dbraw/zinc/10/21/21/964102121.db2.gz OHPGAQCJZXRWIK-AQNXPRMDSA-N 2 0 355.482 1.172 20 30 FDEDRP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405524 966298615 /nfs/dbraw/zinc/29/86/15/966298615.db2.gz KFXSKQMVBRERMP-PKOBYXMFSA-N 2 0 358.486 1.643 20 30 FDEDRP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001189667691 967131785 /nfs/dbraw/zinc/13/17/85/967131785.db2.gz IFLWIUMWSUCXLA-ZWKOTPCHSA-N 2 0 362.518 1.062 20 30 FDEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000852887258 967690294 /nfs/dbraw/zinc/69/02/94/967690294.db2.gz JLAXVGHZKCDMNW-HXUWFJFHSA-N 2 0 355.482 1.397 20 30 FDEDRP C=CCOCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCO1 ZINC001200555980 974823401 /nfs/dbraw/zinc/82/34/01/974823401.db2.gz VKCCHWKFIFYUPD-OKZBNKHCSA-N 2 0 353.507 1.126 20 30 FDEDRP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000848395490 976716706 /nfs/dbraw/zinc/71/67/06/976716706.db2.gz UFSCMNHFSTXJLV-MRXNPFEDSA-N 2 0 358.442 1.945 20 30 FDEDRP C#CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849594515 977805320 /nfs/dbraw/zinc/80/53/20/977805320.db2.gz DNXDWYBGICMMRO-MOPGFXCFSA-N 2 0 359.518 1.305 20 30 FDEDRP C#CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849594518 977805562 /nfs/dbraw/zinc/80/55/62/977805562.db2.gz DNXDWYBGICMMRO-RTBURBONSA-N 2 0 359.518 1.305 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC([NH2+]C3CCOCC3)CC2)CC1 ZINC000883342368 982086286 /nfs/dbraw/zinc/08/62/86/982086286.db2.gz UNNFHHDCOFSNDD-UHFFFAOYSA-N 2 0 364.534 1.970 20 30 FDEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)NC1CC[NH+](CCOC)CC1 ZINC000132310464 982299972 /nfs/dbraw/zinc/29/99/72/982299972.db2.gz HXIZCGZWHNIHNM-KSZLIROESA-N 2 0 364.534 1.610 20 30 FDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000884186438 982962166 /nfs/dbraw/zinc/96/21/66/982962166.db2.gz ZSZBVIVYTDXDCV-LVIWNVNYSA-N 2 0 366.509 1.949 20 30 FDEDRP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1 ZINC000884278745 983049124 /nfs/dbraw/zinc/04/91/24/983049124.db2.gz SNOINPCYVAWODQ-LSNYBQGISA-N 2 0 352.482 1.861 20 30 FDEDRP C#CCNC(=O)CC[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000293777939 988202221 /nfs/dbraw/zinc/20/22/21/988202221.db2.gz LMSQRCKNTNWUIM-MRXNPFEDSA-N 2 0 360.477 1.758 20 30 FDEDRP N#Cc1ccccc1N1CCC([NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000873217950 988654570 /nfs/dbraw/zinc/65/45/70/988654570.db2.gz VPWVLHUMYGDRIN-INIZCTEOSA-N 2 0 355.486 1.314 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000876767843 992890850 /nfs/dbraw/zinc/89/08/50/992890850.db2.gz PZYIKHXZMYZTDI-UZLBHIALSA-N 2 0 368.481 1.362 20 30 FDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000876846927 992935668 /nfs/dbraw/zinc/93/56/68/992935668.db2.gz GDYMDWJWALOASD-MRXNPFEDSA-N 2 0 370.925 1.297 20 30 FDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000876917671 992965730 /nfs/dbraw/zinc/96/57/30/992965730.db2.gz ATVUPCFWXHMQCR-AWEZNQCLSA-N 2 0 352.866 1.379 20 30 FDEDRP C[C@@H](O)[C@H]1CC[NH+](Cc2cc(C#N)cc(C[N@H+]3CC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000878393066 993938429 /nfs/dbraw/zinc/93/84/29/993938429.db2.gz ZVBGXCVTSKTWEA-IFCLKOLQSA-N 2 0 357.498 1.964 20 30 FDEDRP C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CCN1c1cc[nH+]cc1 ZINC000880264464 995767945 /nfs/dbraw/zinc/76/79/45/995767945.db2.gz WVPPFBPYDCRKNU-APWZRJJASA-N 2 0 352.438 1.904 20 30 FDEDRP C[NH+]=C(NCc1ccco1)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000264029495 997384607 /nfs/dbraw/zinc/38/46/07/997384607.db2.gz CUCBUOSXYPADRW-UHFFFAOYSA-N 2 0 355.486 1.892 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000264069115 997395887 /nfs/dbraw/zinc/39/58/87/997395887.db2.gz FUDYWZSZQSKFEU-HXUWFJFHSA-N 3 0 372.561 1.323 20 30 FDEDRP COc1ccc(CCNC(=[NH2+])NCCCC[NH+]2CCOCC2)cc1OC ZINC000264087983 997399568 /nfs/dbraw/zinc/39/95/68/997399568.db2.gz KCMVNJCWUFUHNH-UHFFFAOYSA-N 2 0 364.490 1.263 20 30 FDEDRP C[NH+]1CCC([C@H]2CC[N@@H+]([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C2)CC1 ZINC000270032263 999502383 /nfs/dbraw/zinc/50/23/83/999502383.db2.gz DRAWZFAQYIRRPA-PKOBYXMFSA-N 2 0 366.465 1.854 20 30 FDEDRP C[C@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000092615647 1007257815 /nfs/dbraw/zinc/25/78/15/1007257815.db2.gz JHIFDIKJRKHUDY-MRXNPFEDSA-N 2 0 358.486 1.867 20 30 FDEDRP C[NH+]1CCN(c2ccc(CNC(=[NH2+])NCCc3ccccc3)cn2)CC1 ZINC000303770125 1009573384 /nfs/dbraw/zinc/57/33/84/1009573384.db2.gz BPNFPHNFJWYPCZ-UHFFFAOYSA-N 2 0 352.486 1.480 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CC1 ZINC000533978311 540311027 /nfs/dbraw/zinc/31/10/27/540311027.db2.gz NRBLYXICFCAMFR-KRWDZBQOSA-N 2 0 367.538 1.029 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000553395535 543625616 /nfs/dbraw/zinc/62/56/16/543625616.db2.gz KROHLZARAUWREM-WMZOPIPTSA-N 2 0 364.534 1.474 20 30 FDEDRP CCN1CC[NH+](CCCCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CC1 ZINC000083031837 524233432 /nfs/dbraw/zinc/23/34/32/524233432.db2.gz XAUWZYCHQDAPMG-GOSISDBHSA-N 2 0 359.518 1.832 20 30 FDEDRP COc1cc(C#N)ccc1OCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000157812905 524343395 /nfs/dbraw/zinc/34/33/95/524343395.db2.gz GOTDJLOHECVWGG-UHFFFAOYSA-N 2 0 359.470 1.990 20 30 FDEDRP CCN(CCC#N)C(=O)C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177496284 525300308 /nfs/dbraw/zinc/30/03/08/525300308.db2.gz QZRSPMXEZQLZNI-ROUUACIJSA-N 2 0 364.534 1.960 20 30 FDEDRP C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000180875045 525768499 /nfs/dbraw/zinc/76/84/99/525768499.db2.gz JHYYXWWCYVMZBP-MVZUJROASA-N 2 0 372.469 1.804 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000264106119 537137804 /nfs/dbraw/zinc/13/78/04/537137804.db2.gz PLRAGSCMAZWWOZ-FQEVSTJZSA-N 2 0 373.545 1.784 20 30 FDEDRP C#CC[N@@H+](C)CCCNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000293973253 537632641 /nfs/dbraw/zinc/63/26/41/537632641.db2.gz MGEUEROUUPBWBT-UHFFFAOYSA-N 2 0 367.497 1.797 20 30 FDEDRP C[C@@H]1C[C@H](N(C)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC[N@@H+]1C ZINC000330230107 537652993 /nfs/dbraw/zinc/65/29/93/537652993.db2.gz QKOAVOPSXKXKPA-VDHUWJSZSA-N 2 0 352.523 1.693 20 30 FDEDRP N#CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000424149905 538245225 /nfs/dbraw/zinc/24/52/25/538245225.db2.gz XUBSSVCOFUZNKU-SFHVURJKSA-N 2 0 362.449 1.806 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC000560797880 545608190 /nfs/dbraw/zinc/60/81/90/545608190.db2.gz WSBHFJMVZMJYRY-GOSISDBHSA-N 2 0 364.534 1.524 20 30 FDEDRP CSC1(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC[NH+](C)CC1 ZINC000568383574 548513992 /nfs/dbraw/zinc/51/39/92/548513992.db2.gz USNXHRFAGUIAKS-UHFFFAOYSA-N 2 0 367.540 1.749 20 30 FDEDRP N#Cc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000569921199 549095476 /nfs/dbraw/zinc/09/54/76/549095476.db2.gz OIRKPMJSHMRHQC-MJGOQNOKSA-N 2 0 359.470 1.388 20 30 FDEDRP C[NH+](C)CCCN(CCC#N)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000576635541 550570294 /nfs/dbraw/zinc/57/02/94/550570294.db2.gz FWVORCPXYGMWQE-UHFFFAOYSA-N 2 0 372.517 1.288 20 30 FDEDRP C[NH+]1CCN(C[C@H](O)C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000577842221 550700426 /nfs/dbraw/zinc/70/04/26/550700426.db2.gz NKQJMVNGSFZDDI-IOJLRTSASA-N 2 0 372.513 1.446 20 30 FDEDRP N#Cc1cccc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000592269839 551970895 /nfs/dbraw/zinc/97/08/95/551970895.db2.gz UOAIUFQUKHOEBK-UHFFFAOYSA-N 2 0 365.441 1.682 20 30 FDEDRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594439816 552310831 /nfs/dbraw/zinc/31/08/31/552310831.db2.gz VMICMTKUPMEOTF-IBGZPJMESA-N 2 0 357.502 1.461 20 30 FDEDRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000597943316 552848544 /nfs/dbraw/zinc/84/85/44/552848544.db2.gz XSAQKXCFOICJQK-FXAWDEMLSA-N 2 0 371.529 1.915 20 30 FDEDRP CC(C)N1CC[NH+](C2CCN([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000611180981 554613107 /nfs/dbraw/zinc/61/31/07/554613107.db2.gz OKDZQQHJASPASI-FQEVSTJZSA-N 2 0 369.513 1.575 20 30 FDEDRP CN(CC(=O)NC1(C#N)CCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000615231875 555177005 /nfs/dbraw/zinc/17/70/05/555177005.db2.gz IVNIBDDYKDQKGF-HXUWFJFHSA-N 2 0 356.470 1.118 20 30 FDEDRP CC[NH+]1CCC(NC(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000330262536 567957474 /nfs/dbraw/zinc/95/74/74/567957474.db2.gz VDXUWBLDTRQZMI-OAQYLSRUSA-N 2 0 374.529 1.954 20 30 FDEDRP C[C@H]([NH2+]CCCC#N)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000273321996 674527930 /nfs/dbraw/zinc/52/79/30/674527930.db2.gz ZNUPGUIPVQIVIM-HNNXBMFYSA-N 2 0 352.504 1.871 20 30 FDEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)NC1CC[NH+](CCOC)CC1 ZINC000261638621 672641347 /nfs/dbraw/zinc/64/13/47/672641347.db2.gz KMMMWFSYQTYSFG-GVDBMIGSSA-N 2 0 350.507 1.220 20 30 FDEDRP C[NH+]=C(NCc1cc(F)ccc1SC)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000261785989 672672030 /nfs/dbraw/zinc/67/20/30/672672030.db2.gz KMQHNPBONQFVHF-OAHLLOKOSA-N 2 0 351.495 1.212 20 30 FDEDRP CC[NH+]=C(NCC1(CO)CCOCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000261835922 672680716 /nfs/dbraw/zinc/68/07/16/672680716.db2.gz OPNLWPWZDYPLRO-QGZVFWFLSA-N 2 0 352.523 1.301 20 30 FDEDRP CC[NH+]=C(NC[C@@H]1C[N@H+](CC(C)C)CCO1)N1CC[C@]2(CCOC2)C1 ZINC000261947553 672699606 /nfs/dbraw/zinc/69/96/06/672699606.db2.gz GJDAITPWVNYCFV-MJGOQNOKSA-N 2 0 352.523 1.421 20 30 FDEDRP C[NH+]=C(NCCN1CCSCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000262766690 672845383 /nfs/dbraw/zinc/84/53/83/672845383.db2.gz GJFHQBRJQXKHLG-UHFFFAOYSA-N 2 0 367.607 1.997 20 30 FDEDRP C[NH+]=C(NC[C@]1(N(C)C)CCSC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000262788245 672849725 /nfs/dbraw/zinc/84/97/25/672849725.db2.gz NCSHJGRLPSAHBR-LJQANCHMSA-N 2 0 367.607 1.996 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000298395284 676458518 /nfs/dbraw/zinc/45/85/18/676458518.db2.gz FOAMQPXWQPQOSZ-UHFFFAOYSA-N 2 0 366.531 1.593 20 30 FDEDRP CC(C)[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)[NH+]1CCCCCC1 ZINC000303788979 676543150 /nfs/dbraw/zinc/54/31/50/676543150.db2.gz UWSYQPCJILVDKC-GOSISDBHSA-N 2 0 353.555 1.514 20 30 FDEDRP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCC[NH+]2CCCCCC2)CC1 ZINC000303906067 676543657 /nfs/dbraw/zinc/54/36/57/676543657.db2.gz VVXAFZAOXPEBHB-UHFFFAOYSA-N 2 0 353.511 1.730 20 30 FDEDRP CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000329043946 676617055 /nfs/dbraw/zinc/61/70/55/676617055.db2.gz FGOWAPIYRGEEAL-HZPDHXFCSA-N 2 0 372.535 1.020 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000368519585 677500198 /nfs/dbraw/zinc/50/01/98/677500198.db2.gz SGOXVUXRBNBQTC-SJLPKXTDSA-N 2 0 350.507 1.437 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)C(C)C ZINC000419575892 680281439 /nfs/dbraw/zinc/28/14/39/680281439.db2.gz WRJFDRIQGLVMDU-IXDOHACOSA-N 2 0 350.507 1.010 20 30 FDEDRP C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000425862117 680937108 /nfs/dbraw/zinc/93/71/08/680937108.db2.gz WWPBDLYOZLQROI-KSZLIROESA-N 2 0 352.523 1.635 20 30 FDEDRP C=C[C@@H]1OCCC[C@H]1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000459046717 684361424 /nfs/dbraw/zinc/36/14/24/684361424.db2.gz SGNIZIHRKZNYQE-KSZLIROESA-N 2 0 352.523 1.778 20 30 FDEDRP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000469716923 684983588 /nfs/dbraw/zinc/98/35/88/684983588.db2.gz KHVHGJSLDXHIQR-MRXNPFEDSA-N 2 0 350.507 1.760 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000519283694 690196825 /nfs/dbraw/zinc/19/68/25/690196825.db2.gz WXHHNDOQBWBPDL-GOSISDBHSA-N 2 0 352.523 1.683 20 30 FDEDRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001164921622 721848260 /nfs/dbraw/zinc/84/82/60/721848260.db2.gz OPQYKBXDOFSGQS-RBUKOAKNSA-N 2 0 354.502 1.204 20 30 FDEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]21 ZINC001083193228 771089859 /nfs/dbraw/zinc/08/98/59/771089859.db2.gz HLYKJWRVIONFFI-LSTHTHJFSA-N 2 0 368.481 1.454 20 30 FDEDRP C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000255032753 771167091 /nfs/dbraw/zinc/16/70/91/771167091.db2.gz BXDNQHQGUKYGCP-CVTQAYBASA-N 2 0 372.469 1.804 20 30 FDEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1COCCN1CC1CCC1)C2 ZINC001112493031 773747449 /nfs/dbraw/zinc/74/74/49/773747449.db2.gz MSHGIKHVRADJBT-ZJOUEHCJSA-N 2 0 361.530 1.892 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001111950879 786995870 /nfs/dbraw/zinc/99/58/70/786995870.db2.gz GMMBUWFYYHPDPO-UWVAXJGDSA-N 2 0 364.534 1.380 20 30 FDEDRP CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1)[NH+](CC)CC ZINC001104667579 789274093 /nfs/dbraw/zinc/27/40/93/789274093.db2.gz QOFLNPRRGOFYJS-GUDVDZBRSA-N 2 0 351.535 1.831 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CC4CCCC4)C[C@@H]32)CC1 ZINC001083283720 791178685 /nfs/dbraw/zinc/17/86/85/791178685.db2.gz POOCJMFFTCUNOO-VQTJNVASSA-N 2 0 359.514 1.433 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)C(C)C ZINC000417056829 794947288 /nfs/dbraw/zinc/94/72/88/794947288.db2.gz ACESSCSOYFJEPC-OALUTQOASA-N 2 0 363.550 1.374 20 30 FDEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974595859 799902839 /nfs/dbraw/zinc/90/28/39/799902839.db2.gz MWRNFDJZDDHQSB-QRVBRYPASA-N 2 0 361.530 1.583 20 30 FDEDRP COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N ZINC001026852431 800004535 /nfs/dbraw/zinc/00/45/35/800004535.db2.gz OAKSNIJUYPITQG-SZVBFZGTSA-N 2 0 370.497 1.845 20 30 FDEDRP C=CC[NH+]=C(NCc1nnc(C)n1C)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000261933640 811346867 /nfs/dbraw/zinc/34/68/67/811346867.db2.gz BWQRJCPALRZAFT-AEFFLSMTSA-N 2 0 371.533 1.704 20 30 FDEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000261955208 811352785 /nfs/dbraw/zinc/35/27/85/811352785.db2.gz IOEQHOSWVGTPSR-QGZVFWFLSA-N 2 0 369.517 1.330 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)C(C)C ZINC000419566810 812021706 /nfs/dbraw/zinc/02/17/06/812021706.db2.gz GZKKHMABBCTBCG-PXNSSMCTSA-N 2 0 362.518 1.013 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)C(C)C ZINC000419570869 812024585 /nfs/dbraw/zinc/02/45/85/812024585.db2.gz OFXIRIXDCAHALA-RCCFBDPRSA-N 2 0 364.534 1.245 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000272992814 814785469 /nfs/dbraw/zinc/78/54/69/814785469.db2.gz SYXZCCGNEDZZLE-OALUTQOASA-N 3 0 359.518 1.142 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]32)CC[N@@H+]1C ZINC001075809014 820956767 /nfs/dbraw/zinc/95/67/67/820956767.db2.gz OGQLYFDOTKOCNA-XWPNQZOQSA-N 2 0 352.482 1.931 20 30 FDEDRP C#CC[NH+]1CCC(Nc2nccnc2NC2CC[NH+](CC#C)CC2)CC1 ZINC000895808860 822747896 /nfs/dbraw/zinc/74/78/96/822747896.db2.gz UXSBNHITJDUIBA-UHFFFAOYSA-N 2 0 352.486 1.496 20 30 FDEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001087969243 824259430 /nfs/dbraw/zinc/25/94/30/824259430.db2.gz KECFDWGVVKZZIZ-MHTWAQMVSA-N 2 0 373.541 1.537 20 30 FDEDRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329303618 824725411 /nfs/dbraw/zinc/72/54/11/824725411.db2.gz NZGWAWIBAJSLIG-GOSISDBHSA-N 2 0 372.513 1.884 20 30 FDEDRP CN1CCC(CNC(=O)c2cnc3n[nH]nc3c2)([NH+]2CCCCC2)CC1 ZINC000329449474 824795944 /nfs/dbraw/zinc/79/59/44/824795944.db2.gz OMDDXCQJSYDHJA-UHFFFAOYSA-N 2 0 357.462 1.608 20 30 FDEDRP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)CCC[N@@H+]1C ZINC000329489529 824830545 /nfs/dbraw/zinc/83/05/45/824830545.db2.gz HPHUQQDRJMZFHM-LZLYRXPVSA-N 2 0 362.522 1.743 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001112185052 827876147 /nfs/dbraw/zinc/87/61/47/827876147.db2.gz QWOYZBJGCONHIM-HUUCEWRRSA-N 2 0 361.408 1.099 20 30 FDEDRP Cc1ccc([C@@H](CNC(=[NH2+])NCCCN2CCOCC2)[NH+]2CCCC2)cc1 ZINC000303906412 827942125 /nfs/dbraw/zinc/94/21/25/827942125.db2.gz ZYIBGFKRDNDTPH-HXUWFJFHSA-N 2 0 373.545 1.759 20 30 FDEDRP C[NH+]1CC[C@H]2CN(c3nc(N4C[C@H]5CC[N@@H+](C)[C@H]5C4)ccc3C#N)C[C@H]21 ZINC000450780422 830122236 /nfs/dbraw/zinc/12/22/36/830122236.db2.gz QKQLGEWMDDKMPH-VSZNYVQBSA-N 2 0 352.486 1.234 20 30 FDEDRP CC[NH+]1CCN(c2ccc(C(=O)NC3(C#N)CC[NH+](C)CC3)cc2)CC1 ZINC000531293248 830675313 /nfs/dbraw/zinc/67/53/13/830675313.db2.gz JBCKIPNCUDAHHU-UHFFFAOYSA-N 2 0 355.486 1.546 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105668750 844091380 /nfs/dbraw/zinc/09/13/80/844091380.db2.gz ZACDKOMKUANLKP-JYBIWHBTSA-N 2 0 367.534 1.107 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CCCC[NH+]2CCCCC2)CC1 ZINC000897674612 840217823 /nfs/dbraw/zinc/21/78/23/840217823.db2.gz BEEBZRCYGFDJTJ-UHFFFAOYSA-N 2 0 364.534 1.478 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C(C)C)C[C@H]1O ZINC001105637326 842271376 /nfs/dbraw/zinc/27/13/76/842271376.db2.gz NFCXOZYDIDFKNA-QCFAMHMHSA-N 2 0 361.530 1.460 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001105650751 842440350 /nfs/dbraw/zinc/44/03/50/842440350.db2.gz AKOSAIIMZCGRDM-DCXXXQMHSA-N 2 0 363.546 1.870 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000478017378 843508756 /nfs/dbraw/zinc/50/87/56/843508756.db2.gz SPTHQJCRACCUSD-OXJNMPFZSA-N 2 0 364.534 1.380 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[N@@H+](C)CCC)[C@H]2C(C)C)C[C@H]1O ZINC001105668597 843837772 /nfs/dbraw/zinc/83/77/72/843837772.db2.gz LGZIEMMWJPAERO-RMVXJAJNSA-N 2 0 363.546 1.708 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4ocnc4C)C[C@H]32)CC1 ZINC001076605614 848555441 /nfs/dbraw/zinc/55/54/41/848555441.db2.gz JNBZAIRLXINYCS-ZWKOTPCHSA-N 2 0 356.470 1.361 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)CC1 ZINC000911237787 858349346 /nfs/dbraw/zinc/34/93/46/858349346.db2.gz YTYSYRVWGLWTGU-KRWDZBQOSA-N 2 0 362.518 1.263 20 30 FDEDRP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000669033596 860869042 /nfs/dbraw/zinc/86/90/42/860869042.db2.gz USEVYMWDAZGXFG-SJORKVTESA-N 2 0 360.506 1.532 20 30 FDEDRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001106878603 881871444 /nfs/dbraw/zinc/87/14/44/881871444.db2.gz UELOUEZANWEHMP-VQIMIIECSA-N 2 0 358.486 1.321 20 30 FDEDRP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C)cc1C#N ZINC001088980314 865889346 /nfs/dbraw/zinc/88/93/46/865889346.db2.gz DCJYCJPJAMNCCB-SUMDDJOVSA-N 2 0 370.497 1.988 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)C(C)C ZINC000457753600 867672130 /nfs/dbraw/zinc/67/21/30/867672130.db2.gz QHIIGNQGGHAGBT-OTWHNJEPSA-N 2 0 366.550 1.782 20 30 FDEDRP C#CCN(C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000913889189 869911774 /nfs/dbraw/zinc/91/17/74/869911774.db2.gz UHNDXMIGKYQNSG-FQEVSTJZSA-N 2 0 356.514 1.898 20 30 FDEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001106248356 874114843 /nfs/dbraw/zinc/11/48/43/874114843.db2.gz NCDKAHQNVGDNSP-GUDVDZBRSA-N 2 0 351.535 1.851 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001106336624 874814976 /nfs/dbraw/zinc/81/49/76/874814976.db2.gz XDUJUUORKJNCOO-OWCLPIDISA-N 2 0 352.523 1.092 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106672284 876513551 /nfs/dbraw/zinc/51/35/51/876513551.db2.gz NYGLCKSTLGFFDH-IXDOHACOSA-N 2 0 366.550 1.339 20 30 FDEDRP N#C[C@@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000915542365 877025765 /nfs/dbraw/zinc/02/57/65/877025765.db2.gz KPXPAKMOPPADKC-KRWDZBQOSA-N 2 0 356.474 1.539 20 30 FDEDRP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001106779362 877792352 /nfs/dbraw/zinc/79/23/52/877792352.db2.gz LFIMJWSNKRDROW-QZTJIDSGSA-N 2 0 366.550 1.437 20 30 FDEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 ZINC001034697734 884825169 /nfs/dbraw/zinc/82/51/69/884825169.db2.gz UCZDJKNTCNDNCW-TVFCKZIOSA-N 2 0 351.491 1.069 20 30 FDEDRP C=CCC[C@@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129084310 885707001 /nfs/dbraw/zinc/70/70/01/885707001.db2.gz HFFFRQLTOGOIPB-ZACQAIPSSA-N 2 0 362.522 1.705 20 30 FDEDRP C#CCN(C(=O)NC1CC[NH+](CCOC(C)C)CC1)C1CC[NH+](C)CC1 ZINC000921242885 887578067 /nfs/dbraw/zinc/57/80/67/887578067.db2.gz YEMRADKRTJUNNM-UHFFFAOYSA-N 2 0 364.534 1.615 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000923388176 889099037 /nfs/dbraw/zinc/09/90/37/889099037.db2.gz MIKZPCAVKAAJPN-GNBUJSLZSA-N 2 0 359.470 1.516 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000923408193 889171758 /nfs/dbraw/zinc/17/17/58/889171758.db2.gz AVTMMAFOEQTKIW-MOPGFXCFSA-N 2 0 359.470 1.388 20 30 FDEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084351935 914152298 /nfs/dbraw/zinc/15/22/98/914152298.db2.gz HCQGFAWSNAAFNX-WTGUMLROSA-N 2 0 359.514 1.289 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3cccc(C)c3)C[C@H]2O)CC1 ZINC001078227189 898428902 /nfs/dbraw/zinc/42/89/02/898428902.db2.gz NHZGPJZELYGYNW-DUXKGJEZSA-N 2 0 369.509 1.563 20 30 FDEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079257200 902289598 /nfs/dbraw/zinc/28/95/98/902289598.db2.gz ZOSHEVGQOGNPMY-GBESFXJTSA-N 2 0 359.514 1.433 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1c1ccccc1 ZINC001081205118 907392355 /nfs/dbraw/zinc/39/23/55/907392355.db2.gz KDDDIHQMOPKNQV-VQTJNVASSA-N 2 0 357.498 1.867 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4cccnc4C)C[C@H]32)CC1 ZINC001084850930 917656525 /nfs/dbraw/zinc/65/65/25/917656525.db2.gz DIPOVKWXDIUJQC-NHCUHLMSSA-N 2 0 366.509 1.768 20 30 FDEDRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccc(C#N)cc4)[C@H]3C2)C1 ZINC001085092753 920804192 /nfs/dbraw/zinc/80/41/92/920804192.db2.gz OZNNVWSIAZVTDO-AQNXPRMDSA-N 2 0 352.482 1.933 20 30 FDEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085279482 923462025 /nfs/dbraw/zinc/46/20/25/923462025.db2.gz MHQRKVFVXYEIGN-DSZOFWSKSA-N 2 0 353.894 1.619 20 30 FDEDRP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129326463 926001730 /nfs/dbraw/zinc/00/17/30/926001730.db2.gz IGVQEYOJTSGNRZ-SQNIBIBYSA-N 2 0 362.522 1.562 20 30 FDEDRP C#CCN1CCN(C(=O)C[NH+]2CCC(CC[N@@H+](CC)CC3CC3)CC2)CC1 ZINC000771475506 930686301 /nfs/dbraw/zinc/68/63/01/930686301.db2.gz KVNGPSXKERHQOT-UHFFFAOYSA-N 2 0 374.573 1.598 20 30 FDEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001114296979 938385351 /nfs/dbraw/zinc/38/53/51/938385351.db2.gz YNSZFOLOHOVUSO-SLHNCBLASA-N 2 0 361.530 1.746 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001130030471 938631987 /nfs/dbraw/zinc/63/19/87/938631987.db2.gz BWMJVVPBFKARHZ-KURKYZTESA-N 2 0 360.506 1.459 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@@H]1n1ccnn1 ZINC001130137021 938709629 /nfs/dbraw/zinc/70/96/29/938709629.db2.gz FFYFMPAFVJFAIA-SQNIBIBYSA-N 2 0 360.506 1.460 20 30 FDEDRP C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[NH+](CC)CC)CC1 ZINC001130304829 938803121 /nfs/dbraw/zinc/80/31/21/938803121.db2.gz BOCZHPKODONNHB-XLIONFOSSA-N 2 0 364.534 1.380 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1c1cn(C)cn1 ZINC001130614688 939911930 /nfs/dbraw/zinc/91/19/30/939911930.db2.gz BGSDCUHAIVHDMQ-PKOBYXMFSA-N 2 0 369.513 1.203 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1c1cn(C)cn1 ZINC001130621942 939931521 /nfs/dbraw/zinc/93/15/21/939931521.db2.gz HZTIEDQKOXJIRR-PKOBYXMFSA-N 2 0 362.437 1.289 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130639537 939941546 /nfs/dbraw/zinc/94/15/46/939941546.db2.gz ITIGSBBIQMPCIG-FUHWJXTLSA-N 2 0 357.502 1.202 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1c1cn(C)cn1 ZINC001130728639 940017089 /nfs/dbraw/zinc/01/70/89/940017089.db2.gz ITVLZGRBHZWPAM-AZUAARDMSA-N 2 0 371.529 1.594 20 30 FDEDRP C#CCC[NH+]1CCC(NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000747405273 940418884 /nfs/dbraw/zinc/41/88/84/940418884.db2.gz YDSZVADJQPFBFX-OAQYLSRUSA-N 2 0 355.482 1.227 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1c1cncn1C ZINC001131084064 940489114 /nfs/dbraw/zinc/48/91/14/940489114.db2.gz KSSQEDNXXGYXGJ-QZTJIDSGSA-N 2 0 359.518 1.612 20 30 FDEDRP C=CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001131316756 940551155 /nfs/dbraw/zinc/55/11/55/940551155.db2.gz UPTYTYFKQIBHBV-BBWFWOEESA-N 2 0 364.490 1.010 20 30 FDEDRP N#Cc1ccc([C@@H](O)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000819218084 943492282 /nfs/dbraw/zinc/49/22/82/943492282.db2.gz CMVVAUGKTJLZRO-RTWAWAEBSA-N 2 0 351.450 1.948 20 30 FDEDRP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+](Cc1ccc(C#N)cn1)CC2 ZINC001144157880 948300455 /nfs/dbraw/zinc/30/04/55/948300455.db2.gz ZRAWKSBPFGHVGV-UHFFFAOYSA-N 2 0 351.454 1.277 20 30 FDEDRP CC#CC[N@@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)c2)C1 ZINC001091401079 951574861 /nfs/dbraw/zinc/57/48/61/951574861.db2.gz SCALOWBFDAYMCM-NSISKUIASA-N 2 0 370.497 1.514 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H](C)c3cnccn3)C2)CC1 ZINC001086882453 952914291 /nfs/dbraw/zinc/91/42/91/952914291.db2.gz QYHFKMYZHNEUEO-ZIFCJYIRSA-N 2 0 369.513 1.757 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1c1cnn(C)c1 ZINC001086993540 953027211 /nfs/dbraw/zinc/02/72/11/953027211.db2.gz FOVBKGVBSNDXGS-PBWTXFEYSA-N 2 0 359.518 1.611 20 30 FDEDRP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092503987 955275479 /nfs/dbraw/zinc/27/54/79/955275479.db2.gz FXKAKKIUVLWKRF-LZQZEXGQSA-N 2 0 370.497 1.845 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C34CCC[NH+]3CCC4)[C@H]2C(C)C)C[C@H]1O ZINC001093451994 958137017 /nfs/dbraw/zinc/13/70/17/958137017.db2.gz BKTYLMMXNDQHRS-FTEYMNFISA-N 2 0 359.514 1.214 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001093467681 958216097 /nfs/dbraw/zinc/21/60/97/958216097.db2.gz VIAVJXFREAYNIF-UKAVVXHISA-N 2 0 361.530 1.318 20 30 FDEDRP C#C[C@H]([NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000775792967 972521733 /nfs/dbraw/zinc/52/17/33/972521733.db2.gz BKLZWYXJVCGCRQ-YYWHXJBOSA-N 2 0 369.509 1.926 20 30 FDEDRP C#C[C@H]([NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000775792964 972521988 /nfs/dbraw/zinc/52/19/88/972521988.db2.gz BKLZWYXJVCGCRQ-DZFGPLHGSA-N 2 0 369.509 1.926 20 30 FDEDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(F)c1C#N ZINC000773316748 961031022 /nfs/dbraw/zinc/03/10/22/961031022.db2.gz ZEJCWGIWVKAISU-UHFFFAOYSA-N 2 0 368.478 1.344 20 30 FDEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC12CCOCC2 ZINC001186381968 964486814 /nfs/dbraw/zinc/48/68/14/964486814.db2.gz MUVYYZDRXXPHJK-GBESFXJTSA-N 2 0 361.530 1.585 20 30 FDEDRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)C1 ZINC000852863134 967668342 /nfs/dbraw/zinc/66/83/42/967668342.db2.gz ACCAGHOVRFRRPB-SFHVURJKSA-N 2 0 368.481 1.325 20 30 FDEDRP CC[C@H](C(=O)N[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1O)[NH+](C)C ZINC001194085873 969994499 /nfs/dbraw/zinc/99/44/99/969994499.db2.gz KWZSNONZEAUZAS-KZNAEPCWSA-N 2 0 363.889 1.193 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@H]1C[NH+](C)C ZINC000867589166 976444468 /nfs/dbraw/zinc/44/44/68/976444468.db2.gz MUTJBPJFSPXJRR-HUUCEWRRSA-N 2 0 368.478 1.057 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000867955801 977138850 /nfs/dbraw/zinc/13/88/50/977138850.db2.gz HDUSDGZBOGXZJX-UFYCRDLUSA-N 2 0 368.481 1.505 20 30 FDEDRP CCC[N@@H+]1CCC[C@H]1CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000849050934 977293634 /nfs/dbraw/zinc/29/36/34/977293634.db2.gz PCXOMWTYKGXYHW-HOTGVXAUSA-N 2 0 365.522 1.741 20 30 FDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCC[N@@H+]1CCc3ccccc3C1)C2 ZINC000884189776 982965416 /nfs/dbraw/zinc/96/54/16/982965416.db2.gz MTXIKHSHNVEOKB-OBXNSHGQSA-N 2 0 352.482 1.690 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000884642590 984649913 /nfs/dbraw/zinc/64/99/13/984649913.db2.gz MLNSVQYBSAZDQF-FQEVSTJZSA-N 2 0 364.534 1.367 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C[C@H]1C[NH+](C)C ZINC000870019153 985521948 /nfs/dbraw/zinc/52/19/48/985521948.db2.gz ROOVZUDIOKWHQM-XUVXKRRUSA-N 2 0 367.497 1.438 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000366040966 988327323 /nfs/dbraw/zinc/32/73/23/988327323.db2.gz XISOSOGFIGAFII-QGZVFWFLSA-N 2 0 364.534 1.922 20 30 FDEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000296201419 989034606 /nfs/dbraw/zinc/03/46/06/989034606.db2.gz CNEYGWDKQFQSNS-HXUWFJFHSA-N 2 0 356.514 1.805 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)CC1 ZINC000369403570 989050375 /nfs/dbraw/zinc/05/03/75/989050375.db2.gz VTDVQRXCUGMMSJ-YTQUADARSA-N 2 0 364.534 1.825 20 30 FDEDRP C#CCOc1ccccc1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875291327 991268510 /nfs/dbraw/zinc/26/85/10/991268510.db2.gz BQEJAGJPJLSSNS-RTBURBONSA-N 2 0 372.513 1.579 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)NCCc2ccc(C#N)cc2)C[C@H]1C[NH+](C)C ZINC000875716046 991936240 /nfs/dbraw/zinc/93/62/40/991936240.db2.gz MTFBMNQYQDUQMP-RTBURBONSA-N 2 0 357.502 1.482 20 30 FDEDRP C#CC1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000825826714 992133403 /nfs/dbraw/zinc/13/34/03/992133403.db2.gz LKUHCQMDXFDLIU-UHFFFAOYSA-N 2 0 355.486 1.649 20 30 FDEDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)cc1 ZINC000876505899 992671187 /nfs/dbraw/zinc/67/11/87/992671187.db2.gz CIMBOOIFMNHBDY-VQTJNVASSA-N 2 0 363.465 1.627 20 30 FDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000876780695 992906329 /nfs/dbraw/zinc/90/63/29/992906329.db2.gz IQZRAIMXWNHZHD-OAHLLOKOSA-N 2 0 351.882 1.310 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000876921102 992967857 /nfs/dbraw/zinc/96/78/57/992967857.db2.gz KEGZCTJOMQORAB-RLLQIKCJSA-N 2 0 368.481 1.490 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000877116473 993056187 /nfs/dbraw/zinc/05/61/87/993056187.db2.gz YMYQEQFEYIWPQT-UYAOXDASSA-N 2 0 368.481 1.362 20 30 FDEDRP C[NH+]1CCN(C2CC[NH+](C[C@H](O)COc3ccccc3C#N)CC2)CC1 ZINC000879594206 995064004 /nfs/dbraw/zinc/06/40/04/995064004.db2.gz BFQCTBBSOWFNGI-IBGZPJMESA-N 2 0 358.486 1.010 20 30 FDEDRP C[C@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CCN1c1cc[nH+]cc1 ZINC000880264465 995767314 /nfs/dbraw/zinc/76/73/14/995767314.db2.gz WVPPFBPYDCRKNU-LPHOPBHVSA-N 2 0 352.438 1.904 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(-n2nc(C)cc2C)nc1 ZINC000264090047 997401432 /nfs/dbraw/zinc/40/14/32/997401432.db2.gz KSWIHMXBQCCBDM-QGZVFWFLSA-N 2 0 355.490 1.773 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000267453829 999340397 /nfs/dbraw/zinc/34/03/97/999340397.db2.gz SFWKALYTYFHAGB-IBGZPJMESA-N 3 0 373.545 1.532 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000284165243 999778658 /nfs/dbraw/zinc/77/86/58/999778658.db2.gz UMVUBZBMSPHEER-LJQANCHMSA-N 2 0 372.513 1.562 20 30 FDEDRP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001111277572 1002480196 /nfs/dbraw/zinc/48/01/96/1002480196.db2.gz YEURPMHQVRYLCH-QRVBRYPASA-N 2 0 356.470 1.358 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)C(C)C ZINC000642769891 1007890938 /nfs/dbraw/zinc/89/09/38/1007890938.db2.gz UCLNIGFABRGIBO-IAGOWNOFSA-N 2 0 350.507 1.060 20 30 FDEDRP COc1ccc(CNC(=[NH2+])NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1OC ZINC000303793254 1009588755 /nfs/dbraw/zinc/58/87/55/1009588755.db2.gz ZFQMRZXTACHXRS-INIZCTEOSA-N 2 0 364.490 1.465 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000303881743 1009670841 /nfs/dbraw/zinc/67/08/41/1009670841.db2.gz HUVPZOLRCXJARP-HZPDHXFCSA-N 2 0 367.538 1.880 20 30 FDEDRP C[C@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC000303894763 1009680037 /nfs/dbraw/zinc/68/00/37/1009680037.db2.gz SUTUUKYNWKHXDG-MRXNPFEDSA-N 2 0 367.538 1.974 20 30 FDEDRP C[C@H]1CCCN(C(=[NH2+])NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000304765849 1010490080 /nfs/dbraw/zinc/49/00/80/1010490080.db2.gz ZVRXSMPAECHQFX-LPHOPBHVSA-N 2 0 371.529 1.931 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C(=O)OC)c(C2CC2)n1 ZINC000305822819 1012774405 /nfs/dbraw/zinc/77/44/05/1012774405.db2.gz BQZUZJYGHGORSN-OAHLLOKOSA-N 2 0 359.474 1.634 20 30 FDEDRP N#Cc1cccc(S(=O)(=O)CC[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000514602847 539014687 /nfs/dbraw/zinc/01/46/87/539014687.db2.gz GHCNHVNBFFXFPQ-QGZVFWFLSA-N 2 0 365.499 1.158 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000530230456 539915277 /nfs/dbraw/zinc/91/52/77/539915277.db2.gz GFROHWRPMHGHCC-QFBILLFUSA-N 2 0 359.470 1.388 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530579375 540004463 /nfs/dbraw/zinc/00/44/63/540004463.db2.gz CRHFFIYILYCWCG-OAQYLSRUSA-N 2 0 357.498 1.780 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000550119138 543012275 /nfs/dbraw/zinc/01/22/75/543012275.db2.gz CWBRRUHSZYWEMM-UHFFFAOYSA-N 2 0 372.513 1.521 20 30 FDEDRP Cn1cc(C[NH2+]CCCN2CC[NH+](C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180036494 258361039 /nfs/dbraw/zinc/36/10/39/258361039.db2.gz JZVOPIOHTBCWAJ-UHFFFAOYSA-N 2 0 352.486 1.686 20 30 FDEDRP CN1CCN(C(=O)C2CCN(Cc3cnc4ccc(C#N)cn34)CC2)CC1 ZINC000554875937 543884654 /nfs/dbraw/zinc/88/46/54/543884654.db2.gz YMZCLHVULCZBEF-UHFFFAOYSA-N 2 0 366.469 1.192 20 30 FDEDRP Cc1cccc(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)c1C#N ZINC000331060630 259174580 /nfs/dbraw/zinc/17/45/80/259174580.db2.gz TWJLNPHCMRIENF-UHFFFAOYSA-N 2 0 364.515 1.513 20 30 FDEDRP C[C@@H]1C[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000333872851 259389026 /nfs/dbraw/zinc/38/90/26/259389026.db2.gz UWIQQQVGQJHARD-VQIMIIECSA-N 2 0 355.486 1.916 20 30 FDEDRP C[NH+]=C(NCCN1C(=O)Cc2ccccc21)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158555701 524489727 /nfs/dbraw/zinc/48/97/27/524489727.db2.gz YGETUAYZGHXTHA-RDJZCZTQSA-N 2 0 357.502 1.469 20 30 FDEDRP C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131247090 525838273 /nfs/dbraw/zinc/83/82/73/525838273.db2.gz LOGCELBICPWJTD-NVXWUHKLSA-N 2 0 350.507 1.214 20 30 FDEDRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000107370704 525881317 /nfs/dbraw/zinc/88/13/17/525881317.db2.gz VTAAJTQXPZYQCT-MOPGFXCFSA-N 2 0 358.486 1.010 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000188565394 536902759 /nfs/dbraw/zinc/90/27/59/536902759.db2.gz AQUGMLTWWDCZDF-MRXNPFEDSA-N 2 0 352.523 1.514 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000194955856 537355229 /nfs/dbraw/zinc/35/52/29/537355229.db2.gz UDUBPHGSHJXXMM-CALCHBBNSA-N 2 0 352.523 1.778 20 30 FDEDRP C[C@H](C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1)[NH+]1CCCCCC1 ZINC000329166694 537634696 /nfs/dbraw/zinc/63/46/96/537634696.db2.gz ICCRPTZJKWHILM-WBVHZDCISA-N 2 0 350.507 1.903 20 30 FDEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418795470 537769544 /nfs/dbraw/zinc/76/95/44/537769544.db2.gz SAHDFXUUSCTSSX-GOSISDBHSA-N 2 0 359.474 1.010 20 30 FDEDRP OCC[NH+](CC#CC[N@@H+](CCO)[C@H]1CCCSC1)[C@H]1CCCSC1 ZINC000433188835 538209930 /nfs/dbraw/zinc/20/99/30/538209930.db2.gz DEXHMLWIIYZKRI-ROUUACIJSA-N 2 0 372.600 1.370 20 30 FDEDRP C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424152599 538246836 /nfs/dbraw/zinc/24/68/36/538246836.db2.gz IRVGATHPEQXTQD-INIZCTEOSA-N 2 0 357.458 1.424 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000560773340 545601587 /nfs/dbraw/zinc/60/15/87/545601587.db2.gz BEOTVVXTSNJJJP-QGZVFWFLSA-N 2 0 364.534 1.380 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000581478794 551093316 /nfs/dbraw/zinc/09/33/16/551093316.db2.gz HWODPUMLYCJJDO-UHFFFAOYSA-N 2 0 362.518 1.135 20 30 FDEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000591739398 551905034 /nfs/dbraw/zinc/90/50/34/551905034.db2.gz OAMIYUULHYDNGI-PKOBYXMFSA-N 2 0 360.502 1.161 20 30 FDEDRP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC000593714538 552180871 /nfs/dbraw/zinc/18/08/71/552180871.db2.gz YFLYXCXIUHUHAW-DNVCBOLYSA-N 2 0 355.486 1.962 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000593720981 552182433 /nfs/dbraw/zinc/18/24/33/552182433.db2.gz ODVKOLMXODYROQ-HDICACEKSA-N 2 0 353.470 1.383 20 30 FDEDRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]([NH3+])CCCCC#N)cc1F ZINC000595255721 552505948 /nfs/dbraw/zinc/50/59/48/552505948.db2.gz AQYMZRPBXYBQFG-XIRDDKMYSA-N 2 0 362.449 1.807 20 30 FDEDRP N#Cc1cnn2cc(C[NH2+]Cc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)cnc12 ZINC000597187644 552758996 /nfs/dbraw/zinc/75/89/96/552758996.db2.gz RQURAGAKIPNUHD-IBGZPJMESA-N 2 0 362.437 1.457 20 30 FDEDRP C[C@@H]1CC[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C[NH2+]1 ZINC000599942226 553180423 /nfs/dbraw/zinc/18/04/23/553180423.db2.gz XJSHCLTZAWDTRI-VQIMIIECSA-N 2 0 355.486 1.916 20 30 FDEDRP N#CC1(C[C@@H](O)C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000600722913 553307028 /nfs/dbraw/zinc/30/70/28/553307028.db2.gz RXHWTZHPFZJYQN-RTBURBONSA-N 2 0 370.497 1.528 20 30 FDEDRP N#CC1(C[C@@H](O)C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000600721347 553307150 /nfs/dbraw/zinc/30/71/50/553307150.db2.gz LKBKWCYQNLKSFS-QGZVFWFLSA-N 2 0 358.490 1.023 20 30 FDEDRP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CCSC2(CCCCC2)C1 ZINC000261914672 672693168 /nfs/dbraw/zinc/69/31/68/672693168.db2.gz JRYGRBWHTLAIKW-QGZVFWFLSA-N 2 0 367.607 1.949 20 30 FDEDRP C[NH+]=C(NCc1cn(C)nc1C(F)(F)F)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261974057 672705187 /nfs/dbraw/zinc/70/51/87/672705187.db2.gz NILVDCLAMAAFEK-ZWNOBZJWSA-N 2 0 358.412 1.587 20 30 FDEDRP C[NH+]=C(NC[C@@H]1C[N@H+](CC(C)C)CCO1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262412973 672785552 /nfs/dbraw/zinc/78/55/52/672785552.db2.gz LUKAFDAPAICLQR-TWMKSMIVSA-N 2 0 352.523 1.322 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)CCN1CC[NH+](CC)CC1)C(C)C ZINC000266822719 673198794 /nfs/dbraw/zinc/19/87/94/673198794.db2.gz IZBWFCJZOWNXIP-IBGZPJMESA-N 2 0 350.551 1.829 20 30 FDEDRP C=C[C@@H](CO)[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000290002477 676186606 /nfs/dbraw/zinc/18/66/06/676186606.db2.gz ZFXRSZJIYJVFGJ-ZBFHGGJFSA-N 2 0 355.504 1.114 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C(CC)CC)[NH+](C)C)CC1 ZINC000303783239 676543178 /nfs/dbraw/zinc/54/31/78/676543178.db2.gz OCKDUDWLUODXGR-INIZCTEOSA-N 2 0 355.527 1.878 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000303876842 676543514 /nfs/dbraw/zinc/54/35/14/676543514.db2.gz FBJFOCJLEGUCJM-CABCVRRESA-N 2 0 353.511 1.775 20 30 FDEDRP C[C@H](C[NH+]1CCCCC1)NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000329651096 676647976 /nfs/dbraw/zinc/64/79/76/676647976.db2.gz CRJYMBHQUKPEGA-SJORKVTESA-N 2 0 352.523 1.865 20 30 FDEDRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000330035569 676669535 /nfs/dbraw/zinc/66/95/35/676669535.db2.gz XOEJLDVAGYIBKY-GOSISDBHSA-N 2 0 351.539 1.533 20 30 FDEDRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000330127377 676674429 /nfs/dbraw/zinc/67/44/29/676674429.db2.gz COKYGFRPPLNPNQ-BZZMCLGOSA-N 2 0 352.523 1.597 20 30 FDEDRP C[NH+](C)[C@]1(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCSC1 ZINC000330193276 676677709 /nfs/dbraw/zinc/67/77/09/676677709.db2.gz YLTVFWJWIJMZHW-RYRKJORJSA-N 2 0 370.563 1.305 20 30 FDEDRP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000378424624 678746762 /nfs/dbraw/zinc/74/67/62/678746762.db2.gz FGAVGXCBRLYRJL-RBUKOAKNSA-N 2 0 350.551 1.759 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419736876 680342678 /nfs/dbraw/zinc/34/26/78/680342678.db2.gz XNFKIOIVEFDDLQ-KRWDZBQOSA-N 2 0 350.507 1.167 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000460472326 684531583 /nfs/dbraw/zinc/53/15/83/684531583.db2.gz NZUDRZDTBZHGJR-UHFFFAOYSA-N 2 0 372.579 1.996 20 30 FDEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001104256949 772449984 /nfs/dbraw/zinc/44/99/84/772449984.db2.gz XSHMDOPBUQRCFV-ZACQAIPSSA-N 2 0 370.513 1.043 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656311083 774897733 /nfs/dbraw/zinc/89/77/33/774897733.db2.gz IWBOLPZLOSNLBR-MSOLQXFVSA-N 2 0 362.518 1.276 20 30 FDEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(CN(C)C)on2)C[C@H]1C ZINC001104371848 778251084 /nfs/dbraw/zinc/25/10/84/778251084.db2.gz JLVYYFRBMJVJEP-HZPDHXFCSA-N 2 0 362.474 1.074 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C[C@H]3CCOC3)C2)CC1 ZINC001105062532 795108022 /nfs/dbraw/zinc/10/80/22/795108022.db2.gz WACJOHGMHWOVPW-QWFCFKBJSA-N 2 0 361.530 1.442 20 30 FDEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211661536 800942880 /nfs/dbraw/zinc/94/28/80/800942880.db2.gz BXLJBEQSOUCDQK-VQTJNVASSA-N 2 0 357.498 1.562 20 30 FDEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211667012 803372705 /nfs/dbraw/zinc/37/27/05/803372705.db2.gz RGDNKUNAXWPSIN-PWRODBHTSA-N 2 0 371.525 1.807 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1c1ccccc1 ZINC001211697244 807622213 /nfs/dbraw/zinc/62/22/13/807622213.db2.gz YWMJSDYCCDDHDJ-LEWJYISDSA-N 2 0 369.509 1.705 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1c1ccccc1 ZINC001211722219 809307105 /nfs/dbraw/zinc/30/71/05/809307105.db2.gz AGBGSJFZWGFLDG-HLAWJBBLSA-N 2 0 369.509 1.562 20 30 FDEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433323989 810428522 /nfs/dbraw/zinc/42/85/22/810428522.db2.gz ASGNWGINLOTHAH-QGZVFWFLSA-N 2 0 367.501 1.584 20 30 FDEDRP Cc1nnc(CNC(=[NH+]C2CCCC2)N2CC[C@H]([NH+]3CC=CC3)C2)n1C ZINC000261966568 811355979 /nfs/dbraw/zinc/35/59/79/811355979.db2.gz LPPPPEGTBVYAFA-KRWDZBQOSA-N 2 0 357.506 1.458 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)C(C)C ZINC000419564756 812020193 /nfs/dbraw/zinc/02/01/93/812020193.db2.gz CYGKDHHBISCUDM-RCCFBDPRSA-N 2 0 364.534 1.387 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+])C(C)C ZINC000419570038 812023650 /nfs/dbraw/zinc/02/36/50/812023650.db2.gz MZNQWUWEQMBYKM-OKZBNKHCSA-N 2 0 364.534 1.530 20 30 FDEDRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC001087828250 822519678 /nfs/dbraw/zinc/51/96/78/822519678.db2.gz FMMSZGGGSCQUCG-YTQUADARSA-N 2 0 370.497 1.988 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cnoc3C)[C@@H]2CC)CC1 ZINC001087840188 822559175 /nfs/dbraw/zinc/55/91/75/822559175.db2.gz LMZNMLFNPVMQAM-RBUKOAKNSA-N 2 0 358.486 1.797 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC[C@H]3CCOC3)[C@@H]2CC)CC1 ZINC001087840439 822559770 /nfs/dbraw/zinc/55/97/70/822559770.db2.gz XPDGIMFLAQUIDT-YSIASYRMSA-N 2 0 361.530 1.727 20 30 FDEDRP C[C@@H]1C[C@@H](NC(NCC(=O)N(C)C)=[NH+][C@H]2CCCC[C@H]2C)C[N@@H+]1C1CC1 ZINC000262271540 824499558 /nfs/dbraw/zinc/49/95/58/824499558.db2.gz GWNSMRGANQLIBU-KONPQCLYSA-N 2 0 363.550 1.814 20 30 FDEDRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccc(C#N)cc4F)CC[C@@H]3C2)C1 ZINC001088200319 827434381 /nfs/dbraw/zinc/43/43/81/827434381.db2.gz XZAKOEUNOUEZHM-NEWSRXKRSA-N 2 0 370.472 1.929 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4cnoc4C)CC[C@@H]3C2)CC1 ZINC001088212040 827492499 /nfs/dbraw/zinc/49/24/99/827492499.db2.gz LRUQEYHZDOKMFP-QUCCMNQESA-N 2 0 370.497 1.609 20 30 FDEDRP C[N@@H+]1CCC[C@H]2CN(CC#CCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000528406541 829389264 /nfs/dbraw/zinc/38/92/64/829389264.db2.gz ONNAMEJBBWOKTC-LPHOPBHVSA-N 2 0 351.450 1.702 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000897592236 839817698 /nfs/dbraw/zinc/81/76/98/839817698.db2.gz SEMKXFOHSHVEFH-QUCCMNQESA-N 2 0 354.498 1.729 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[N@@H+](C)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105666538 843200710 /nfs/dbraw/zinc/20/07/10/843200710.db2.gz GQNXJZNZJZZQMW-HNBVOPMISA-N 2 0 351.535 1.870 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCC[NH+]3CCCC3)[C@H]2C(C)C)C[C@H]1O ZINC001105672637 845184920 /nfs/dbraw/zinc/18/49/20/845184920.db2.gz CDGDEVVUWCVAIJ-QCFAMHMHSA-N 2 0 361.530 1.462 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000481881127 847068487 /nfs/dbraw/zinc/06/84/87/847068487.db2.gz ZDVPIDMIJUFAJL-IAGOWNOFSA-N 2 0 364.534 1.380 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3c(C)noc3C)[C@@H]2C)CC1 ZINC001089059119 866381894 /nfs/dbraw/zinc/38/18/94/866381894.db2.gz AFKVREGOSSSMRM-BEFAXECRSA-N 2 0 358.486 1.716 20 30 FDEDRP Cc1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ncc1C#N ZINC000457497011 867513980 /nfs/dbraw/zinc/51/39/80/867513980.db2.gz DQFWJCDQNSFJED-UHFFFAOYSA-N 2 0 364.453 1.599 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000914026006 870382808 /nfs/dbraw/zinc/38/28/08/870382808.db2.gz MJUNWKBIOVEXKX-UHFFFAOYSA-N 2 0 358.486 1.524 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2nc(Cl)c(C#N)s2)C[C@H]1C[NH+](C)C ZINC000888428096 873405959 /nfs/dbraw/zinc/40/59/59/873405959.db2.gz MTUYAHHODXNUMS-GHMZBOCLSA-N 2 0 370.910 1.871 20 30 FDEDRP CNC(=O)CC1CCN(C(NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)=[NH+]C)CC1 ZINC000153028657 873454172 /nfs/dbraw/zinc/45/41/72/873454172.db2.gz XPCYGQTUKDWHMF-INIZCTEOSA-N 2 0 365.566 1.920 20 30 FDEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001106316271 874758912 /nfs/dbraw/zinc/75/89/12/874758912.db2.gz MONPVNAKKWCENR-QZTJIDSGSA-N 2 0 351.535 1.995 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001106431698 875283998 /nfs/dbraw/zinc/28/39/98/875283998.db2.gz KOPUPNGVFVQLQE-BFYDXBDKSA-N 2 0 369.469 1.323 20 30 FDEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001106681028 876550242 /nfs/dbraw/zinc/55/02/42/876550242.db2.gz RCCUQTYLNIBKPH-GUDVDZBRSA-N 2 0 367.534 1.374 20 30 FDEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001106728467 877033959 /nfs/dbraw/zinc/03/39/59/877033959.db2.gz FYECLSJGPFEOID-KZNAEPCWSA-N 2 0 364.534 1.237 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)Nc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000763136426 877946676 /nfs/dbraw/zinc/94/66/76/877946676.db2.gz COHYLPBHDDAUCS-UHFFFAOYSA-N 2 0 355.482 1.927 20 30 FDEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001106825450 878638284 /nfs/dbraw/zinc/63/82/84/878638284.db2.gz RWTCDFGRNMWZSO-SJLPKXTDSA-N 2 0 364.534 1.093 20 30 FDEDRP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC2(CCOCC2)C1 ZINC001089942470 912674063 /nfs/dbraw/zinc/67/40/63/912674063.db2.gz WMCNKZUQVIMORP-CEXWTWQISA-N 2 0 361.530 1.727 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000919052963 885251388 /nfs/dbraw/zinc/25/13/88/885251388.db2.gz WXNFJDXDUBSMIP-PKOBYXMFSA-N 2 0 364.534 1.520 20 30 FDEDRP C=CCN(C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000804084444 886003731 /nfs/dbraw/zinc/00/37/31/886003731.db2.gz WQWCSOCKTQSBMU-UHFFFAOYSA-N 2 0 373.501 1.133 20 30 FDEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129219882 886601478 /nfs/dbraw/zinc/60/14/78/886601478.db2.gz LZYIMJIPMHSQDW-SJORKVTESA-N 2 0 350.511 1.542 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(OCC(F)(F)F)nc1 ZINC000187048826 887585686 /nfs/dbraw/zinc/58/56/86/887585686.db2.gz DYFNTZVISYYPDQ-AWEZNQCLSA-N 2 0 373.423 1.954 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCc3ccccc3)C[C@@H]2O)CC1 ZINC001084088175 913362881 /nfs/dbraw/zinc/36/28/81/913362881.db2.gz VBPYIPCTZMECSP-RTWAWAEBSA-N 2 0 369.509 1.126 20 30 FDEDRP C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000180874419 889768205 /nfs/dbraw/zinc/76/82/05/889768205.db2.gz BXDNQHQGUKYGCP-MVZUJROASA-N 2 0 372.469 1.804 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001107031269 899679485 /nfs/dbraw/zinc/67/94/85/899679485.db2.gz PGSCZAHDXOJSKJ-KZNAEPCWSA-N 2 0 364.534 1.237 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710469 903119878 /nfs/dbraw/zinc/11/98/78/903119878.db2.gz JLIXNHPGJHIVLI-UIAACRFSSA-N 2 0 352.482 1.837 20 30 FDEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@H](OC)C1 ZINC001081796525 905017629 /nfs/dbraw/zinc/01/76/29/905017629.db2.gz ZKAQYCLYLQXFGT-CEXWTWQISA-N 2 0 365.518 1.411 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)s3)C[C@H]2C)CC1 ZINC001080997714 906972523 /nfs/dbraw/zinc/97/25/23/906972523.db2.gz JLEMKSGKTGALCW-RDTXWAMCSA-N 2 0 360.527 1.733 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001082515180 908182149 /nfs/dbraw/zinc/18/21/49/908182149.db2.gz CWMMGHJATHVHTK-JEBQAFNWSA-N 2 0 358.511 1.898 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001082740810 909936595 /nfs/dbraw/zinc/93/65/95/909936595.db2.gz GYEUZTTVALSDLW-GPMSIDNRSA-N 2 0 370.497 1.988 20 30 FDEDRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC001082741782 909942067 /nfs/dbraw/zinc/94/20/67/909942067.db2.gz COCUMNNKSCHCEJ-SQGPQFPESA-N 2 0 370.497 1.867 20 30 FDEDRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082861813 910523140 /nfs/dbraw/zinc/52/31/40/910523140.db2.gz PKPRRDSKCULBJA-SIXWZSSISA-N 2 0 358.461 1.976 20 30 FDEDRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001082861761 910523202 /nfs/dbraw/zinc/52/32/02/910523202.db2.gz NSEDHNFJZYWSRF-SIXWZSSISA-N 2 0 358.461 1.976 20 30 FDEDRP CN(c1ccccc1C=[NH+]NCCS(C)(=O)=O)C1CC[NH+](C)CC1 ZINC000733205766 920744737 /nfs/dbraw/zinc/74/47/37/920744737.db2.gz KUWIXLNPBSWWGM-UHFFFAOYSA-N 2 0 352.504 1.185 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](C[C@@H](CC)OC)[C@H]3C2)CC1 ZINC001085100524 920914407 /nfs/dbraw/zinc/91/44/07/920914407.db2.gz KBLAERIOELEFLO-RLLQIKCJSA-N 2 0 361.530 1.679 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001130005981 938623347 /nfs/dbraw/zinc/62/33/47/938623347.db2.gz NRPYRXHAXKHORF-SQNIBIBYSA-N 2 0 362.522 1.706 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1c1cn(C)cn1 ZINC001130687567 939977072 /nfs/dbraw/zinc/97/70/72/939977072.db2.gz GPVRLVQBWZZOOK-CMKODMSKSA-N 2 0 371.529 1.592 20 30 FDEDRP C#CCC[NH+]1CCC(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000747404655 940413532 /nfs/dbraw/zinc/41/35/32/940413532.db2.gz MTMBHWNUKMFYTC-UHFFFAOYSA-N 2 0 368.525 1.803 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131127935 940509952 /nfs/dbraw/zinc/50/99/52/940509952.db2.gz MUSXWHXLRMYWKI-QZTJIDSGSA-N 2 0 357.502 1.203 20 30 FDEDRP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001131515278 940679766 /nfs/dbraw/zinc/67/97/66/940679766.db2.gz BFBVGANXGFIALY-SBHAEUEKSA-N 2 0 361.530 1.870 20 30 FDEDRP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001131526239 940710820 /nfs/dbraw/zinc/71/08/20/940710820.db2.gz GZJIARHCAPBNGJ-UXHICEINSA-N 2 0 366.465 1.957 20 30 FDEDRP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001131608951 940789165 /nfs/dbraw/zinc/78/91/65/940789165.db2.gz RCXIDIFVCAEZRT-CTNGQTDRSA-N 2 0 361.530 1.871 20 30 FDEDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000867123513 971180748 /nfs/dbraw/zinc/18/07/48/971180748.db2.gz AOEVHVFCSIEQKM-UHFFFAOYSA-N 2 0 368.478 1.344 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1ccc(OC)cc1 ZINC001090881108 947598947 /nfs/dbraw/zinc/59/89/47/947598947.db2.gz ZUZJBNAELGMDFP-FFZOFVMBSA-N 2 0 355.482 1.554 20 30 FDEDRP NC(=O)c1ccc(C(=[NH2+])Nc2cccc3cc([C@@H]4C[NH2+]CCO4)cn32)cc1 ZINC001171258878 951727879 /nfs/dbraw/zinc/72/78/79/951727879.db2.gz NWBOVRXDLJVFMG-KRWDZBQOSA-N 2 0 363.421 1.736 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncccn3)C2)CC1 ZINC001086882475 952914338 /nfs/dbraw/zinc/91/43/38/952914338.db2.gz SEAKVYFYWSKMEI-FUHWJXTLSA-N 2 0 355.486 1.196 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@@H]3CCCCO3)C2)CC1 ZINC001086882432 952914366 /nfs/dbraw/zinc/91/43/66/952914366.db2.gz QGRTVKBTUSYMIM-SXLOBPIMSA-N 2 0 361.530 1.775 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092505119 955278780 /nfs/dbraw/zinc/27/87/80/955278780.db2.gz IIKCDIVTDQDCBB-BJZITVGISA-N 2 0 358.461 1.976 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3cncc(C)c3)C[C@H]2C)CC1 ZINC001093222087 957849463 /nfs/dbraw/zinc/84/94/63/957849463.db2.gz HAUQZZCIXCGKQL-WIYYLYMNSA-N 2 0 368.525 1.919 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+]([C@H](C)c3ncccn3)C[C@H]2C)CC1 ZINC001093223579 957853935 /nfs/dbraw/zinc/85/39/35/957853935.db2.gz BUKKXPVIVQEGOS-ZHALLVOQSA-N 2 0 369.513 1.567 20 30 FDEDRP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@H]2C(C)C)C[C@H]1O ZINC001093468352 958217825 /nfs/dbraw/zinc/21/78/25/958217825.db2.gz ZGSUXCLREAZCHX-REHHDOPLSA-N 2 0 363.546 1.870 20 30 FDEDRP C#C[C@@H](NCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CCCO1 ZINC000775793543 972513681 /nfs/dbraw/zinc/51/36/81/972513681.db2.gz MCBKIJGRDYBTDD-RTBURBONSA-N 2 0 373.522 1.944 20 30 FDEDRP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)C2 ZINC001172242444 961590607 /nfs/dbraw/zinc/59/06/07/961590607.db2.gz CBOKBGIQCKAHCW-IBGZPJMESA-N 2 0 359.514 1.982 20 30 FDEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001178527400 964278548 /nfs/dbraw/zinc/27/85/48/964278548.db2.gz KVFBGLKIIQRESO-FGTMMUONSA-N 2 0 364.534 1.121 20 30 FDEDRP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167084 966827156 /nfs/dbraw/zinc/82/71/56/966827156.db2.gz ATQFHIFRNPKSDI-YESZJQIVSA-N 2 0 364.534 1.188 20 30 FDEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001192446171 969132926 /nfs/dbraw/zinc/13/29/26/969132926.db2.gz XGTPOBMWTFTIQZ-NJYVYQBISA-N 2 0 369.509 1.514 20 30 FDEDRP CN(C)c1ccc(C#N)cc1C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000865602367 974382169 /nfs/dbraw/zinc/38/21/69/974382169.db2.gz XVNRXJWGKJOPCL-UHFFFAOYSA-N 2 0 371.529 1.510 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(c2cccc(-n3cccn3)c2C#N)C[C@H]1C[NH+](C)C ZINC000866010035 974618942 /nfs/dbraw/zinc/61/89/42/974618942.db2.gz FNVFBCNGMQFUHI-IAGOWNOFSA-N 2 0 352.486 1.920 20 30 FDEDRP C#C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)[C@H]1CCCO1 ZINC000776228376 975190879 /nfs/dbraw/zinc/19/08/79/975190879.db2.gz QGBUASFTWFNCPQ-OKZBNKHCSA-N 2 0 350.507 1.225 20 30 FDEDRP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000848393362 976714040 /nfs/dbraw/zinc/71/40/40/976714040.db2.gz AIHULQAITUEZAR-KRWDZBQOSA-N 2 0 358.442 1.945 20 30 FDEDRP C[NH+](C)C1(CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)Cc2ccccc2C1 ZINC000867964010 977147857 /nfs/dbraw/zinc/14/78/57/977147857.db2.gz ZRGCTCMLXQVXRL-OAQYLSRUSA-N 2 0 374.488 1.960 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000883341916 982086498 /nfs/dbraw/zinc/08/64/98/982086498.db2.gz DSOUYHDRBIDIFD-LJQANCHMSA-N 2 0 364.534 1.970 20 30 FDEDRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884206622 982982270 /nfs/dbraw/zinc/98/22/70/982982270.db2.gz ZRBFYLWGVOQXSF-XVUAGMNHSA-N 2 0 373.545 1.143 20 30 FDEDRP C[NH+]1CCN(c2ccccc2NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884233598 983007884 /nfs/dbraw/zinc/00/78/84/983007884.db2.gz SUBACEYUUYONSN-LFDOHDQPSA-N 2 0 353.470 1.516 20 30 FDEDRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884287822 983058845 /nfs/dbraw/zinc/05/88/45/983058845.db2.gz NAEBGMCNSYKLMD-GNZRSQJKSA-N 2 0 358.461 1.855 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000332485663 983063310 /nfs/dbraw/zinc/06/33/10/983063310.db2.gz NPCSFNISJLJTFK-SJLPKXTDSA-N 2 0 362.518 1.086 20 30 FDEDRP C[NH+](C)C1(C)CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000872227178 987526584 /nfs/dbraw/zinc/52/65/84/987526584.db2.gz BCBOVSDAQKXJJX-UHFFFAOYSA-N 2 0 350.488 1.579 20 30 FDEDRP Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)c(C#N)c1 ZINC000872477138 987701877 /nfs/dbraw/zinc/70/18/77/987701877.db2.gz DUZQPPIHXUPWLN-UHFFFAOYSA-N 2 0 364.515 1.513 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000361576291 988418378 /nfs/dbraw/zinc/41/83/78/988418378.db2.gz NYBLXTYYIJZNQR-PKOBYXMFSA-N 2 0 364.534 1.827 20 30 FDEDRP C#CC[N@@H+](C)CCCNC(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000296468706 989225617 /nfs/dbraw/zinc/22/56/17/989225617.db2.gz WGJHJFAKOUARPT-GOSISDBHSA-N 2 0 372.513 1.662 20 30 FDEDRP C#CC[N@H+](C)CCCNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000296907722 989448271 /nfs/dbraw/zinc/44/82/71/989448271.db2.gz NNDWTAMDWUYPFT-UHFFFAOYSA-N 2 0 372.513 1.398 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NCCC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000371085038 990237201 /nfs/dbraw/zinc/23/72/01/990237201.db2.gz IGKWLXWTVABVLP-UHFFFAOYSA-N 2 0 374.573 1.644 20 30 FDEDRP C=CCCC[C@@H](C)NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875229393 991143703 /nfs/dbraw/zinc/14/37/03/991143703.db2.gz WLEMVZKMQMNILN-BRWVUGGUSA-N 2 0 352.523 1.045 20 30 FDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000876751998 992872831 /nfs/dbraw/zinc/87/28/31/992872831.db2.gz DEFVJFZRTAHDNM-KRWDZBQOSA-N 2 0 351.878 1.729 20 30 FDEDRP N#CC[C@]1(O)CC[N@H+](C[C@@H](C[NH+]2CC[C@](O)(CC#N)C2)C2CCCC2)C1 ZINC000878762325 994205285 /nfs/dbraw/zinc/20/52/85/994205285.db2.gz YIYDJCDWKPWKSX-OWZKRDHZSA-N 2 0 360.502 1.494 20 30 FDEDRP COCC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)CC1CC[NH+](C)CC1 ZINC000879122236 994555401 /nfs/dbraw/zinc/55/54/01/994555401.db2.gz JRZQCFWXHIAHPI-LJQANCHMSA-N 2 0 361.486 1.588 20 30 FDEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000264076373 997396585 /nfs/dbraw/zinc/39/65/85/997396585.db2.gz FUSGPESKVXFFPW-QZTJIDSGSA-N 2 0 373.549 1.671 20 30 FDEDRP C[N@H+](CCCNC(=[NH2+])N1CCN(c2ncccn2)CC1)Cc1ccccc1 ZINC000264076500 997396666 /nfs/dbraw/zinc/39/66/66/997396666.db2.gz HKRDMSXJRNOFOW-UHFFFAOYSA-N 2 0 367.501 1.435 20 30 FDEDRP COc1ccc(NC(=[NH2+])NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1OC ZINC000264084310 997398725 /nfs/dbraw/zinc/39/87/25/997398725.db2.gz JEDBXBOODYYGON-INIZCTEOSA-N 2 0 363.506 1.702 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000264114006 997405617 /nfs/dbraw/zinc/40/56/17/997405617.db2.gz PNMMQGJHENIHCL-WBVHZDCISA-N 2 0 360.506 1.195 20 30 FDEDRP C[C@@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)C[NH+]1CCN(C)CC1 ZINC000266983150 999283118 /nfs/dbraw/zinc/28/31/18/999283118.db2.gz NYVXTHUHTNKFIT-AWEZNQCLSA-N 2 0 371.451 1.993 20 30 FDEDRP C#CCNC(=O)CC[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930863552 1003602544 /nfs/dbraw/zinc/60/25/44/1003602544.db2.gz XGFCYHWJRZQEHZ-HDICACEKSA-N 2 0 357.498 1.867 20 30 FDEDRP N#CC1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCSCC1 ZINC000931254302 1003998484 /nfs/dbraw/zinc/99/84/84/1003998484.db2.gz KIEVAGXVOHHLHF-UHFFFAOYSA-N 2 0 373.526 1.747 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000303889886 1009676522 /nfs/dbraw/zinc/67/65/22/1009676522.db2.gz MGOPOKLGSHEINI-JZXOWHBKSA-N 2 0 374.533 1.584 20 30 FDEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000304836619 1010498898 /nfs/dbraw/zinc/49/88/98/1010498898.db2.gz NVXZPNPNUXOIQH-OAHLLOKOSA-N 2 0 371.526 1.211 20 30 FDEDRP C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512288090 538971013 /nfs/dbraw/zinc/97/10/13/538971013.db2.gz YGVVPGJURQRGSZ-UTKZUKDTSA-N 2 0 370.497 1.985 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000553122031 543572806 /nfs/dbraw/zinc/57/28/06/543572806.db2.gz OTZAEEGEHIMJRH-UHFFFAOYSA-N 2 0 364.534 1.380 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000553395726 543625950 /nfs/dbraw/zinc/62/59/50/543625950.db2.gz NOVMRPOJWSUKRK-UHFFFAOYSA-N 2 0 362.518 1.276 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000553395533 543626142 /nfs/dbraw/zinc/62/61/42/543626142.db2.gz KROHLZARAUWREM-FUHWJXTLSA-N 2 0 364.534 1.474 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000078489277 221662569 /nfs/dbraw/zinc/66/25/69/221662569.db2.gz DNTDNDGLJMHLGB-UHFFFAOYSA-N 2 0 370.494 1.591 20 30 FDEDRP COc1cc(C#N)ccc1OCC[NH+]1CCC(N2CCN(C)CC2=O)CC1 ZINC000374727215 261183173 /nfs/dbraw/zinc/18/31/73/261183173.db2.gz QYLOIMLHSQVAJT-UHFFFAOYSA-N 2 0 372.469 1.184 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000124663111 525045805 /nfs/dbraw/zinc/04/58/05/525045805.db2.gz XAQOLZXFRUWWBU-GOSISDBHSA-N 2 0 371.485 1.371 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(CN2CCOCC2)c1 ZINC000104164654 525398508 /nfs/dbraw/zinc/39/85/08/525398508.db2.gz UJZZALBKVRHCJM-IBGZPJMESA-N 2 0 359.518 1.407 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000106258119 525684096 /nfs/dbraw/zinc/68/40/96/525684096.db2.gz DKUIJKQSGHGBQB-IRXDYDNUSA-N 2 0 352.523 1.825 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000106348960 525699631 /nfs/dbraw/zinc/69/96/31/525699631.db2.gz BYOASBQAECSDFN-UHFFFAOYSA-N 2 0 372.513 1.886 20 30 FDEDRP COc1ccccc1CNC(=[NH2+])NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000180454915 525710592 /nfs/dbraw/zinc/71/05/92/525710592.db2.gz GSNBZOZTOHQJFJ-LJQANCHMSA-N 2 0 368.481 1.866 20 30 FDEDRP C[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)N1CC[NH+](C)CC1 ZINC000181702723 525900277 /nfs/dbraw/zinc/90/02/77/525900277.db2.gz NPSWRSYPFUOMCS-SFHVURJKSA-N 2 0 355.530 1.748 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)CCCN2CC[NH+](C)CC2)CC1 ZINC000182721240 535851221 /nfs/dbraw/zinc/85/12/21/535851221.db2.gz TVPPXGHDNXDRPM-UHFFFAOYSA-N 2 0 351.539 1.306 20 30 FDEDRP CCN(CCC#N)C(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182988636 535899048 /nfs/dbraw/zinc/89/90/48/535899048.db2.gz UYDWFKVUXXFEET-UHFFFAOYSA-N 2 0 350.507 1.573 20 30 FDEDRP C[NH+]=C(NCC1(O)CCCCC1)NCC1(N2CCOCC2)CCCCC1 ZINC000263247323 537000628 /nfs/dbraw/zinc/00/06/28/537000628.db2.gz NIPONAUWLWIUDC-UHFFFAOYSA-N 2 0 366.550 1.882 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000333356730 537347701 /nfs/dbraw/zinc/34/77/01/537347701.db2.gz KLHKLLDLXKUISD-RTBURBONSA-N 2 0 364.534 1.955 20 30 FDEDRP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000371375569 537827205 /nfs/dbraw/zinc/82/72/05/537827205.db2.gz VJKXDAAPPVMWRO-KRWDZBQOSA-N 2 0 350.507 1.429 20 30 FDEDRP N#Cc1cnn2cc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)cnc12 ZINC000565599187 547413706 /nfs/dbraw/zinc/41/37/06/547413706.db2.gz PMMMXGIYYVNDGX-UHFFFAOYSA-N 2 0 368.485 1.925 20 30 FDEDRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000566824799 547897752 /nfs/dbraw/zinc/89/77/52/547897752.db2.gz WYKAWJHDUXNCLY-UHFFFAOYSA-N 2 0 359.518 1.957 20 30 FDEDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000573201962 550085921 /nfs/dbraw/zinc/08/59/21/550085921.db2.gz ISOMBBFAAJXFEB-UHFFFAOYSA-N 2 0 352.504 1.008 20 30 FDEDRP CSC1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC[NH+](C)CC1 ZINC000577276102 550639261 /nfs/dbraw/zinc/63/92/61/550639261.db2.gz PYEASWFKJDWSOA-UHFFFAOYSA-N 2 0 367.540 1.749 20 30 FDEDRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)(N2CCOCC2)CC1 ZINC000582951766 551284650 /nfs/dbraw/zinc/28/46/50/551284650.db2.gz CDPDQDHMMDWMHT-HXUWFJFHSA-N 2 0 354.498 1.932 20 30 FDEDRP C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000594804279 552391427 /nfs/dbraw/zinc/39/14/27/552391427.db2.gz VRYRLELXJMRJQK-ZDUSSCGKSA-N 2 0 372.922 1.762 20 30 FDEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000595269364 552508651 /nfs/dbraw/zinc/50/86/51/552508651.db2.gz PHDWSOFWCZZJDJ-KBRIMQKVSA-N 2 0 350.413 1.938 20 30 FDEDRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)CC1 ZINC000609338392 554368574 /nfs/dbraw/zinc/36/85/74/554368574.db2.gz UONXBWPCMJPDSY-VQTJNVASSA-N 2 0 372.513 1.204 20 30 FDEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000611386259 554630568 /nfs/dbraw/zinc/63/05/68/554630568.db2.gz HJCPCYZHUDMISM-QFBILLFUSA-N 2 0 358.486 1.682 20 30 FDEDRP C=C(CNC(=O)[C@@H]1CC[N@H+](C)[C@H]1CC)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000633654154 558343512 /nfs/dbraw/zinc/34/35/12/558343512.db2.gz MXYHFHVQLNNAOS-FZDBZEDMSA-N 2 0 364.534 1.236 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000277504165 674956446 /nfs/dbraw/zinc/95/64/46/674956446.db2.gz VTLXTWZEEIIROL-ZDUSSCGKSA-N 2 0 372.922 1.632 20 30 FDEDRP CC[N@H+](CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)C1CC1 ZINC000133956313 671824654 /nfs/dbraw/zinc/82/46/54/671824654.db2.gz QBBACFGXAMWXDD-OAHLLOKOSA-N 2 0 351.495 1.351 20 30 FDEDRP CCOCCC[N@@H+]1CC[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)C1 ZINC000249490020 672565387 /nfs/dbraw/zinc/56/53/87/672565387.db2.gz ZGEIVNZYUKUKCP-LNLFQRSKSA-N 2 0 352.523 1.767 20 30 FDEDRP C[NH+]=C(NCC1([NH+]2CCSCC2)CCCC1)N(C)C[C@@H]1CCOC1 ZINC000261656203 672644411 /nfs/dbraw/zinc/64/44/11/672644411.db2.gz NFZFPVXBXSCXPO-INIZCTEOSA-N 2 0 354.564 1.892 20 30 FDEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N(C)Cc1nc2c(s1)CCCC2 ZINC000261941177 672698374 /nfs/dbraw/zinc/69/83/74/672698374.db2.gz KNIZZGJSRYHDEP-AWEZNQCLSA-N 2 0 362.547 1.029 20 30 FDEDRP C[NH+]=C(NCC(C)(C)N1CCC[C@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261988883 672707557 /nfs/dbraw/zinc/70/75/57/672707557.db2.gz QVVDLFHRMHNVQO-HNNXBMFYSA-N 2 0 372.579 1.581 20 30 FDEDRP C[NH+]=C(NCCN1CCSCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000262802243 672850645 /nfs/dbraw/zinc/85/06/45/672850645.db2.gz RLGGONJRIZPGPO-KRWDZBQOSA-N 2 0 353.580 1.418 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1ccc(Cl)cc1 ZINC000303784019 676543050 /nfs/dbraw/zinc/54/30/50/676543050.db2.gz OWMONMDHOLRKLQ-HNNXBMFYSA-N 2 0 351.882 1.458 20 30 FDEDRP CC(C)CC[NH+]1CCC(CNC(=[NH2+])NCCCN2CCOCC2)CC1 ZINC000304778796 676544527 /nfs/dbraw/zinc/54/45/27/676544527.db2.gz JSVSJZWJRPFZMK-UHFFFAOYSA-N 2 0 353.555 1.371 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000305718946 676545186 /nfs/dbraw/zinc/54/51/86/676545186.db2.gz HVSPVMCGJYADQJ-GJZGRUSLSA-N 2 0 353.511 1.678 20 30 FDEDRP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)[C@@H]2C1 ZINC000329459516 676639533 /nfs/dbraw/zinc/63/95/33/676639533.db2.gz RQWKZGJCYRMEMB-DDBAPUKQSA-N 2 0 350.507 1.304 20 30 FDEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330188106 676677516 /nfs/dbraw/zinc/67/75/16/676677516.db2.gz UHPDZTBMKUVETH-RNJTYBCJSA-N 2 0 350.507 1.351 20 30 FDEDRP C=C(C)CN(CC)C(=O)CN1CCC([NH+]2CCN(CCC)CC2)CC1 ZINC000369155961 677503670 /nfs/dbraw/zinc/50/36/70/677503670.db2.gz NNSLPKIPDQOAKU-UHFFFAOYSA-N 2 0 350.551 1.903 20 30 FDEDRP C=C(C)CN1C[C@H]2OCCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083194022 771234637 /nfs/dbraw/zinc/23/46/37/771234637.db2.gz RSSPGRDWECCYNC-FCEWJHQRSA-N 2 0 353.482 1.687 20 30 FDEDRP C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000275846981 774096086 /nfs/dbraw/zinc/09/60/86/774096086.db2.gz KHJQRSGZXIPCQS-UHFFFAOYSA-N 2 0 373.501 1.423 20 30 FDEDRP C#C[C@@H]1CCCCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000892545383 787174276 /nfs/dbraw/zinc/17/42/76/787174276.db2.gz VUGBZOYPXQEYNV-GOSISDBHSA-N 2 0 355.486 1.791 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)CC1 ZINC000377477063 791924264 /nfs/dbraw/zinc/92/42/64/791924264.db2.gz LQLXQLXGTJYMRC-UHFFFAOYSA-N 2 0 368.525 1.892 20 30 FDEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104753818 793291896 /nfs/dbraw/zinc/29/18/96/793291896.db2.gz UQTTYEOSBLEIGT-AQNXPRMDSA-N 2 0 363.546 1.973 20 30 FDEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001105017015 794932392 /nfs/dbraw/zinc/93/23/92/794932392.db2.gz MEVXXUGVFAMHGC-GUDVDZBRSA-N 2 0 351.535 1.995 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCCOCC)C2)CC1 ZINC001105062161 795106151 /nfs/dbraw/zinc/10/61/51/795106151.db2.gz CINBWKUAGAAQNP-UYAOXDASSA-N 2 0 363.546 1.832 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCOCC=C)C2)CC1 ZINC001105062376 795108027 /nfs/dbraw/zinc/10/80/27/795108027.db2.gz NZDWXHCBLXDXFN-UYAOXDASSA-N 2 0 361.530 1.608 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCC[C@@H](C)O)C2)CC1 ZINC001105062467 795108127 /nfs/dbraw/zinc/10/81/27/795108127.db2.gz SGIPOFAGBZAOLZ-QWFCFKBJSA-N 2 0 363.546 1.567 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000364454166 796037191 /nfs/dbraw/zinc/03/71/91/796037191.db2.gz IXGMZGDHOKGORC-OAQYLSRUSA-N 2 0 368.525 1.437 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCCO)C2)CC1 ZINC001211729686 809674172 /nfs/dbraw/zinc/67/41/72/809674172.db2.gz GMAXVTKSPLIHKY-LEWJYISDSA-N 2 0 369.509 1.298 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000664017443 810175631 /nfs/dbraw/zinc/17/56/31/810175631.db2.gz WQEXPSBWXNKJFO-GOSISDBHSA-N 2 0 352.523 1.779 20 30 FDEDRP C[NH+]=C(NCc1nncn1-c1ccccc1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261693039 811298990 /nfs/dbraw/zinc/29/89/90/811298990.db2.gz FIEOUEGAYIPJBK-WMLDXEAASA-N 2 0 353.474 1.415 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C(C)C ZINC000419564298 812020880 /nfs/dbraw/zinc/02/08/80/812020880.db2.gz CFMINQHJZQZCJF-FGTMMUONSA-N 2 0 362.518 1.154 20 30 FDEDRP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261936928 816530828 /nfs/dbraw/zinc/53/08/28/816530828.db2.gz MCZJNFUUBUIZCD-INIZCTEOSA-N 2 0 363.550 1.767 20 30 FDEDRP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCn2cncc2C1 ZINC000366650275 816693029 /nfs/dbraw/zinc/69/30/29/816693029.db2.gz FHOIBFXGGFFUJJ-GOSISDBHSA-N 2 0 351.454 1.908 20 30 FDEDRP CC1CC[NH+](C2CCC(NC(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)CC1 ZINC000328658100 819524733 /nfs/dbraw/zinc/52/47/33/819524733.db2.gz QKNGCGCKSFCYFZ-ACBHZAAOSA-N 2 0 365.566 1.779 20 30 FDEDRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cccc(C#N)c3)CC[C@@H]2C1 ZINC001087908437 823743563 /nfs/dbraw/zinc/74/35/63/823743563.db2.gz BYQQQRAQRRYHHI-AABGKKOBSA-N 2 0 352.482 1.933 20 30 FDEDRP CC[N@@H+]1C[C@H](C)N(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C[C@@H]1C ZINC000329002126 824530557 /nfs/dbraw/zinc/53/05/57/824530557.db2.gz XTUIULWGZKQYRM-IRXDYDNUSA-N 2 0 374.533 1.662 20 30 FDEDRP Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCC[NH+]1C ZINC000329020565 824534962 /nfs/dbraw/zinc/53/49/62/824534962.db2.gz HSQIULRNWAZKSL-DODZYUBVSA-N 2 0 374.533 1.933 20 30 FDEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(NCC(=O)N(C)C)=[NH+][C@H]1CCCC[C@H]1C ZINC000262322140 825155504 /nfs/dbraw/zinc/15/55/04/825155504.db2.gz SCMXIUCLDLPJDN-XYVMCAHJSA-N 2 0 363.550 1.671 20 30 FDEDRP CC[NH+]=C(NCCN1CCOC(C)(C)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262441225 826914380 /nfs/dbraw/zinc/91/43/80/826914380.db2.gz HQBMNNVTLJNRHX-GOSISDBHSA-N 2 0 365.566 1.623 20 30 FDEDRP C[NH+]=C(NCC(=O)N1CCc2ccccc21)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262462578 827022903 /nfs/dbraw/zinc/02/29/03/827022903.db2.gz MVSDLOREFUCZMF-SFHVURJKSA-N 2 0 369.513 1.711 20 30 FDEDRP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000527050144 828943118 /nfs/dbraw/zinc/94/31/18/828943118.db2.gz DWJYPSKVIOWBJP-KRWDZBQOSA-N 2 0 361.534 1.287 20 30 FDEDRP C[C@@H]1CN(CC#CCN2CC[N@@H+](C3CC3)C[C@H](C)C2)CC[NH+](C2CC2)C1 ZINC000451095534 830249392 /nfs/dbraw/zinc/24/93/92/830249392.db2.gz STZVIXOLBKDWNK-WOJBJXKFSA-N 2 0 358.574 1.822 20 30 FDEDRP C[NH+](C)CCCN1C(=O)C[C@@H]([NH+]2CCC(c3ccc(C#N)cc3)CC2)C1=O ZINC000899247608 845992931 /nfs/dbraw/zinc/99/29/31/845992931.db2.gz PVTBCNAVVNKZGC-LJQANCHMSA-N 2 0 368.481 1.817 20 30 FDEDRP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)CC1 ZINC001076204896 847555283 /nfs/dbraw/zinc/55/52/83/847555283.db2.gz CNRAGGUOHPUAGC-VQTJNVASSA-N 2 0 352.482 1.933 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000668835883 857528527 /nfs/dbraw/zinc/52/85/27/857528527.db2.gz LPHRSMKWHNTHGW-QGZVFWFLSA-N 2 0 362.518 1.276 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000911891442 859095406 /nfs/dbraw/zinc/09/54/06/859095406.db2.gz HAMHBGBASSGUOJ-VQTJNVASSA-N 2 0 357.498 1.996 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000186878804 881536102 /nfs/dbraw/zinc/53/61/02/881536102.db2.gz OFXBTYUIQJTUNR-INIZCTEOSA-N 2 0 365.522 1.942 20 30 FDEDRP CN(CC1CC[NH+](C)CC1)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000171604362 865257982 /nfs/dbraw/zinc/25/79/82/865257982.db2.gz FSBKHVRHBQLGQV-FQEVSTJZSA-N 2 0 369.469 1.556 20 30 FDEDRP C[NH+]=C(NCC1CCOCC1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000176361083 869283363 /nfs/dbraw/zinc/28/33/63/869283363.db2.gz QHXLUOMFFZIMDJ-UHFFFAOYSA-N 2 0 354.564 1.940 20 30 FDEDRP C#CCN(C(=O)NCC1(SC)CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000922529269 878494128 /nfs/dbraw/zinc/49/41/28/878494128.db2.gz AWKZOQMLAWKCIV-UHFFFAOYSA-N 2 0 352.548 1.553 20 30 FDEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC001005411224 883264920 /nfs/dbraw/zinc/26/49/20/883264920.db2.gz WRTVKALCZMSSKC-UXHICEINSA-N 2 0 361.530 1.679 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001034940050 885389006 /nfs/dbraw/zinc/38/90/06/885389006.db2.gz UWZPSZNHBLNWFI-ATZDWAIDSA-N 2 0 370.497 1.988 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)cc1 ZINC000923384218 889066692 /nfs/dbraw/zinc/06/66/92/889066692.db2.gz UKFYCFMQCZXMBH-GOSISDBHSA-N 2 0 367.453 1.435 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)CC1 ZINC000672356387 893186049 /nfs/dbraw/zinc/18/60/49/893186049.db2.gz WEKBVSCTAAIZKB-UHFFFAOYSA-N 2 0 362.518 1.230 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)C(C)C ZINC000671082062 896161980 /nfs/dbraw/zinc/16/19/80/896161980.db2.gz QPFZBSZDSZVMQO-IRXDYDNUSA-N 2 0 350.507 1.012 20 30 FDEDRP N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cc1 ZINC001084349278 914135747 /nfs/dbraw/zinc/13/57/47/914135747.db2.gz FVVFIPPUFUMQGR-QHAWAJNXSA-N 2 0 364.493 1.933 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CCC(F)(F)F)[C@H](C)C2)CC1 ZINC001107033836 899816974 /nfs/dbraw/zinc/81/69/74/899816974.db2.gz CSKYXAHCAFNZPU-GDBMZVCRSA-N 2 0 359.436 1.968 20 30 FDEDRP C=CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001079129832 901937827 /nfs/dbraw/zinc/93/78/27/901937827.db2.gz JMGQFAYIDATMEB-XUVXKRRUSA-N 2 0 357.498 1.731 20 30 FDEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079252860 902275405 /nfs/dbraw/zinc/27/54/05/902275405.db2.gz RROPYDOYAMKGNF-XUVXKRRUSA-N 2 0 371.525 1.433 20 30 FDEDRP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552199 905551430 /nfs/dbraw/zinc/55/14/30/905551430.db2.gz JRPSTVHPHOZUPQ-WIYYLYMNSA-N 2 0 363.546 1.975 20 30 FDEDRP CC[NH+]=C(NC[C@H]1CCC[N@@H+](C(C)C)C1)N1CCN(c2ncccn2)CC1 ZINC000073446230 909728338 /nfs/dbraw/zinc/72/83/38/909728338.db2.gz GVKGYWKRMGQPPM-GOSISDBHSA-N 2 0 373.549 1.685 20 30 FDEDRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001082923412 910934696 /nfs/dbraw/zinc/93/46/96/910934696.db2.gz IWCZEUOCLIQXOL-MBOZVWFJSA-N 2 0 370.497 1.463 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](C[C@@H]4CCCOC4)C[C@H]32)CC1 ZINC001084851075 917658390 /nfs/dbraw/zinc/65/83/90/917658390.db2.gz MAVBCTDRDYBJDA-DFQSSKMNSA-N 2 0 359.514 1.291 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC[C@@H]4CCCO4)C[C@H]32)CC1 ZINC001084851204 917661074 /nfs/dbraw/zinc/66/10/74/917661074.db2.gz RQRMUXGLGAVRSM-HSALFYBXSA-N 2 0 359.514 1.433 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCn4cccn4)[C@H]3C2)CC1 ZINC001085100490 920913931 /nfs/dbraw/zinc/91/39/31/920913931.db2.gz GWLVDGYVYUJLFZ-QUCCMNQESA-N 2 0 369.513 1.151 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000743766062 926463749 /nfs/dbraw/zinc/46/37/49/926463749.db2.gz JCULWFVIZCUIFA-NRFANRHFSA-N 2 0 355.482 1.085 20 30 FDEDRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)CC[N@@H+]1C ZINC001086371235 926885470 /nfs/dbraw/zinc/88/54/70/926885470.db2.gz XHZSYDSHFPTJII-DLVXIWMQSA-N 2 0 370.497 1.914 20 30 FDEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001109735723 930276952 /nfs/dbraw/zinc/27/69/52/930276952.db2.gz UKTYQMCDBKDLEN-RDGPPVDQSA-N 2 0 365.518 1.411 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@@H]1n1ccnn1 ZINC001129923793 938569747 /nfs/dbraw/zinc/56/97/47/938569747.db2.gz WTUQOLMGIPHFKU-SQNIBIBYSA-N 2 0 360.506 1.316 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130139753 938711788 /nfs/dbraw/zinc/71/17/88/938711788.db2.gz HEZFZULKNMEOHJ-MSOLQXFVSA-N 2 0 360.506 1.462 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130610605 939908031 /nfs/dbraw/zinc/90/80/31/939908031.db2.gz NLHMLISUAPFFDH-JENIJYKNSA-N 2 0 359.518 1.755 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130608033 939920127 /nfs/dbraw/zinc/92/01/27/939920127.db2.gz XKPZSJQEQPVUQS-UHOSZYNNSA-N 2 0 359.518 1.611 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1c1cn(C)cn1 ZINC001130734468 940034714 /nfs/dbraw/zinc/03/47/14/940034714.db2.gz QWWNYVFJOZPSHA-PKOBYXMFSA-N 2 0 357.502 1.203 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1c1cncn1C ZINC001131003503 940429530 /nfs/dbraw/zinc/42/95/30/940429530.db2.gz HLSGVMMUYIKPQY-OWCLPIDISA-N 2 0 351.470 1.170 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1c1cncn1C ZINC001131006139 940432693 /nfs/dbraw/zinc/43/26/93/940432693.db2.gz NAXKUQSPDULKQQ-IPMKNSEASA-N 2 0 371.529 1.305 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1c1cncn1C ZINC001131115498 940503572 /nfs/dbraw/zinc/50/35/72/940503572.db2.gz PQEHLLYHOIHZGQ-OPYAIIAOSA-N 2 0 371.529 1.756 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131127769 940509781 /nfs/dbraw/zinc/50/97/81/940509781.db2.gz BNARACBDGMWLOU-QZTJIDSGSA-N 2 0 357.502 1.203 20 30 FDEDRP C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313032 940552643 /nfs/dbraw/zinc/55/26/43/940552643.db2.gz FNMFZYYJQQKOML-BBWFWOEESA-N 2 0 364.490 1.010 20 30 FDEDRP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001131535888 940725270 /nfs/dbraw/zinc/72/52/70/940725270.db2.gz PYUGSVBJNCVGRC-QUCCMNQESA-N 2 0 361.530 1.870 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1ccc(OC)cc1 ZINC001090871374 947435107 /nfs/dbraw/zinc/43/51/07/947435107.db2.gz QUDLAOIFXKOLPP-PCCBWWKXSA-N 2 0 367.493 1.554 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1c1ccc(OC)cc1 ZINC001090874505 947527733 /nfs/dbraw/zinc/52/77/33/947527733.db2.gz KMHTWTLVGBMODH-XUVXKRRUSA-N 2 0 355.482 1.553 20 30 FDEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001110718087 971585735 /nfs/dbraw/zinc/58/57/35/971585735.db2.gz YNDSPJFDIMLOQW-KURKYZTESA-N 2 0 365.518 1.269 20 30 FDEDRP C#Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)cc1 ZINC001144572423 949953955 /nfs/dbraw/zinc/95/39/55/949953955.db2.gz YQOQTDGEFBZOLJ-WOJBJXKFSA-N 2 0 355.482 1.279 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)c1 ZINC000846213148 950786093 /nfs/dbraw/zinc/78/60/93/950786093.db2.gz GXDZSYXUZQPUSQ-MJGOQNOKSA-N 2 0 353.470 1.526 20 30 FDEDRP C#CC[NH+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)c2)C1 ZINC001091401031 951574714 /nfs/dbraw/zinc/57/47/14/951574714.db2.gz QVWHOYQVYSKRIH-AYOQOUSVSA-N 2 0 356.470 1.124 20 30 FDEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)[C@H](C)C1 ZINC000772981435 952422426 /nfs/dbraw/zinc/42/24/26/952422426.db2.gz DFORHVLKEBSVAV-CSIMIJJJSA-N 2 0 364.490 1.239 20 30 FDEDRP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091679671 952606466 /nfs/dbraw/zinc/60/64/66/952606466.db2.gz JDFTYGBHAWGHLA-BNDYYXHWSA-N 2 0 359.514 1.147 20 30 FDEDRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ccccc4C#N)C[C@@]3(C)C2)C1 ZINC001092274030 954661270 /nfs/dbraw/zinc/66/12/70/954661270.db2.gz ZDFYEOGNLPJRRW-SBHAEUEKSA-N 2 0 352.482 1.790 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](OCC)C2CC2)CC1 ZINC001110147225 958335500 /nfs/dbraw/zinc/33/55/00/958335500.db2.gz QGFHIAWGGOQCDK-ANULTFPQSA-N 2 0 373.541 1.868 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000636676492 1013184178 /nfs/dbraw/zinc/18/41/78/1013184178.db2.gz ITCSRLZGKXMXOM-GOSISDBHSA-N 2 0 362.518 1.276 20 30 FDEDRP C#C[C@H](NCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CCCO1 ZINC000775793541 972513227 /nfs/dbraw/zinc/51/32/27/972513227.db2.gz MCBKIJGRDYBTDD-RBUKOAKNSA-N 2 0 373.522 1.944 20 30 FDEDRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172978899 961863345 /nfs/dbraw/zinc/86/33/45/961863345.db2.gz OFAZSHBFLCFPOS-ILXRZTDVSA-N 2 0 367.494 1.111 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH3+])[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172986186 961867902 /nfs/dbraw/zinc/86/79/02/961867902.db2.gz SJQATJFXFMYYCM-IRXDYDNUSA-N 2 0 367.538 1.881 20 30 FDEDRP C[NH+](C)CCN(CC[NH+](C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172985751 961867963 /nfs/dbraw/zinc/86/79/63/961867963.db2.gz RQPNACWDNLGIKU-SJORKVTESA-N 2 0 367.538 1.703 20 30 FDEDRP COC(=O)[C@@H]1C[C@H]([NH+]=C(C)NCc2cccc(C[NH3+])c2)C[C@@H]1C(=O)OC ZINC001173570118 962384115 /nfs/dbraw/zinc/38/41/15/962384115.db2.gz BXKNTUHAVYYWJG-BJWYYQGGSA-N 2 0 361.442 1.394 20 30 FDEDRP O=C(C#CC1CC[NH2+]CC1)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000852796722 967614481 /nfs/dbraw/zinc/61/44/81/967614481.db2.gz UFDVCJKMJFKWGY-UHFFFAOYSA-N 2 0 355.438 1.537 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCOCC(F)F)C[C@H]32)CC1 ZINC001190317686 967731111 /nfs/dbraw/zinc/73/11/11/967731111.db2.gz LLBHZSVXZRXBQL-DLBZAZTESA-N 2 0 369.456 1.146 20 30 FDEDRP C#C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)[C@@H]1CCCO1 ZINC000776228372 975191871 /nfs/dbraw/zinc/19/18/71/975191871.db2.gz QGBUASFTWFNCPQ-BZSNNMDCSA-N 2 0 350.507 1.225 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000849064024 977300018 /nfs/dbraw/zinc/30/00/18/977300018.db2.gz YPHQLKGBIURVKC-HXUWFJFHSA-N 2 0 373.545 1.396 20 30 FDEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OCC)cc1 ZINC000851662064 978988687 /nfs/dbraw/zinc/98/86/87/978988687.db2.gz SODMHZLNZODFRG-PMACEKPBSA-N 2 0 372.513 1.785 20 30 FDEDRP CN1CCC([NH+]2CCC(NC(=O)Nc3cccc(CC#N)n3)CC2)CC1 ZINC000881146966 979716645 /nfs/dbraw/zinc/71/66/45/979716645.db2.gz GXJVDTBMOMHKOZ-UHFFFAOYSA-N 2 0 356.474 1.828 20 30 FDEDRP CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(OCC[NH+](C)C)cc1 ZINC000884211375 982987864 /nfs/dbraw/zinc/98/78/64/982987864.db2.gz BGLMWIUQFKLFRO-NGEICVOHSA-N 2 0 356.470 1.729 20 30 FDEDRP C[C@@H]1C[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[N@@H+]1Cc1ccccc1 ZINC000884228757 983003311 /nfs/dbraw/zinc/00/33/11/983003311.db2.gz YLMDXVUYQDVRTQ-LIEGOMBTSA-N 2 0 352.482 1.905 20 30 FDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000884448923 983161315 /nfs/dbraw/zinc/16/13/15/983161315.db2.gz PXYALNBZFKEIQS-VWMQHHCSSA-N 2 0 352.482 1.764 20 30 FDEDRP C#CCN(C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1)C1CC[NH+](C)CC1 ZINC000886581203 986383855 /nfs/dbraw/zinc/38/38/55/986383855.db2.gz NDPNNZPBNWRWCW-UHFFFAOYSA-N 2 0 368.525 1.998 20 30 FDEDRP CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000362308610 988629999 /nfs/dbraw/zinc/62/99/99/988629999.db2.gz GDGDJPHVKMWSMM-FYQPLNBISA-N 2 0 373.545 1.095 20 30 FDEDRP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000363667896 989382720 /nfs/dbraw/zinc/38/27/20/989382720.db2.gz AASIOEPKLSELPQ-YLJYHZDGSA-N 2 0 372.513 1.398 20 30 FDEDRP C[NH+]1CCN(C[C@H]2CCC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000372371135 991051484 /nfs/dbraw/zinc/05/14/84/991051484.db2.gz UQBUHVFCFDUIDM-IBGZPJMESA-N 2 0 369.513 1.846 20 30 FDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000876922385 992968476 /nfs/dbraw/zinc/96/84/76/992968476.db2.gz XNVMGTZVSSDITI-MRXNPFEDSA-N 3 0 350.894 1.566 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000877116472 993056310 /nfs/dbraw/zinc/05/63/10/993056310.db2.gz YMYQEQFEYIWPQT-QUCCMNQESA-N 2 0 368.481 1.362 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877327846 993212464 /nfs/dbraw/zinc/21/24/64/993212464.db2.gz XYOPVHLTOFVKGC-AEFFLSMTSA-N 2 0 354.454 1.020 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877357568 993243245 /nfs/dbraw/zinc/24/32/45/993243245.db2.gz XYQIDXRIFBTAMX-SNPRPXQTSA-N 2 0 352.360 1.341 20 30 FDEDRP CC1(C)C[NH+](Cc2cc(C#N)cc(C[N@@H+]3C[C@@H](O)C(C)(C)C3)c2)C[C@H]1O ZINC000878531333 994002270 /nfs/dbraw/zinc/00/22/70/994002270.db2.gz CRFZHMXZXXHEEZ-RTBURBONSA-N 2 0 357.498 1.964 20 30 FDEDRP C[NH+](C)C[C@@H]1NC(=O)N(C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1=O ZINC000924970324 995198133 /nfs/dbraw/zinc/19/81/33/995198133.db2.gz RDPHKYJPOPWFCO-KRWDZBQOSA-N 2 0 355.442 1.005 20 30 FDEDRP Cc1ccc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1C#N ZINC000926872090 996351434 /nfs/dbraw/zinc/35/14/34/996351434.db2.gz BEXJGTOWZUQGBC-RTBURBONSA-N 2 0 357.502 1.748 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000264068722 997395551 /nfs/dbraw/zinc/39/55/51/997395551.db2.gz CJZJUNLGJPNGPO-ROUUACIJSA-N 2 0 373.501 1.693 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccc(C)o1)N1CCOCC1 ZINC000264143484 997413101 /nfs/dbraw/zinc/41/31/01/997413101.db2.gz XDKLQNWJRKKMNB-DLBZAZTESA-N 2 0 363.506 1.350 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000104170643 998313689 /nfs/dbraw/zinc/31/36/89/998313689.db2.gz KQFJZUDJTPJNIJ-UYAOXDASSA-N 2 0 372.561 1.586 20 30 FDEDRP C[C@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)C[NH+]1CCN(C)CC1 ZINC000266983154 999282955 /nfs/dbraw/zinc/28/29/55/999282955.db2.gz NYVXTHUHTNKFIT-CQSZACIVSA-N 2 0 371.451 1.993 20 30 FDEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000271686791 999725193 /nfs/dbraw/zinc/72/51/93/999725193.db2.gz QMDWDCOHQARBSW-QFBILLFUSA-N 2 0 358.486 1.682 20 30 FDEDRP C[NH+](C)CCOc1ccc(CCC(=O)NC2(C#N)CC[NH+](C)CC2)cc1 ZINC000932179043 1004811033 /nfs/dbraw/zinc/81/10/33/1004811033.db2.gz WOBTVWXCDNFCMN-UHFFFAOYSA-N 2 0 358.486 1.664 20 30 FDEDRP C[NH+]1CCC2(CC[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000639757779 1007550444 /nfs/dbraw/zinc/55/04/44/1007550444.db2.gz NQQHZANNPAJNCP-UHFFFAOYSA-N 2 0 351.450 1.704 20 30 FDEDRP [NH2+]=C(NCCc1ccccc1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000303789492 1009583992 /nfs/dbraw/zinc/58/39/92/1009583992.db2.gz VJZIXLSSOMEOAR-UHFFFAOYSA-N 2 0 365.525 1.951 20 30 FDEDRP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])Nc2cc(OC)ccc2OC)CC1 ZINC000303901149 1009684116 /nfs/dbraw/zinc/68/41/16/1009684116.db2.gz XEWAYYSVBWAQJP-HNNXBMFYSA-N 2 0 363.506 1.704 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000553329868 543610708 /nfs/dbraw/zinc/61/07/08/543610708.db2.gz RVVMYVFHYFZLKF-VQIMIIECSA-N 2 0 374.529 1.228 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000553395534 543625653 /nfs/dbraw/zinc/62/56/53/543625653.db2.gz KROHLZARAUWREM-SJLPKXTDSA-N 2 0 364.534 1.474 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000553711709 543685603 /nfs/dbraw/zinc/68/56/03/543685603.db2.gz KRKYYOVQXCATNM-UHFFFAOYSA-N 2 0 364.534 1.476 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000557731377 544337265 /nfs/dbraw/zinc/33/72/65/544337265.db2.gz NUQRHKLQRAGTIM-SFHVURJKSA-N 2 0 362.518 1.230 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000559357320 544656624 /nfs/dbraw/zinc/65/66/24/544656624.db2.gz COZBTHYJJXCDOF-UHFFFAOYSA-N 2 0 364.534 1.524 20 30 FDEDRP N#Cc1ccc(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000299657123 259014250 /nfs/dbraw/zinc/01/42/50/259014250.db2.gz WYPBUYDMPXFHKJ-UHFFFAOYSA-N 2 0 363.465 1.824 20 30 FDEDRP C[NH+]1CCC(C#N)(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000073454980 522530917 /nfs/dbraw/zinc/53/09/17/522530917.db2.gz QNNRSHHZDWKTBD-UHFFFAOYSA-N 2 0 355.486 1.303 20 30 FDEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)NC1CC[NH+](CCOC)CC1 ZINC000163185736 525374474 /nfs/dbraw/zinc/37/44/74/525374474.db2.gz KMMMWFSYQTYSFG-BBWFWOEESA-N 2 0 350.507 1.220 20 30 FDEDRP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000164707752 525526625 /nfs/dbraw/zinc/52/66/25/525526625.db2.gz YMYOZTZTUNCRGB-SFHVURJKSA-N 2 0 360.527 1.886 20 30 FDEDRP C=C(C)C[NH+]1CCC(NCc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)CC1 ZINC000132322026 525955866 /nfs/dbraw/zinc/95/58/66/525955866.db2.gz OBBQPFIWFBTMFV-GOSISDBHSA-N 2 0 366.531 1.547 20 30 FDEDRP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000246414354 536948236 /nfs/dbraw/zinc/94/82/36/536948236.db2.gz RPTJTSUWXCYLCI-KZNAEPCWSA-N 2 0 364.534 1.958 20 30 FDEDRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000247741383 537147612 /nfs/dbraw/zinc/14/76/12/537147612.db2.gz NTBBSZLRRLLQAN-JXFKEZNVSA-N 2 0 370.497 1.688 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000304997971 537599371 /nfs/dbraw/zinc/59/93/71/537599371.db2.gz AQEGLZWOELPQGL-OALUTQOASA-N 2 0 371.529 1.466 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000417518053 538045728 /nfs/dbraw/zinc/04/57/28/538045728.db2.gz ANHWOIZTXDJDCB-QGZVFWFLSA-N 2 0 365.522 1.056 20 30 FDEDRP C[C@@H]1CN(Cc2ccccc2CNC(=O)[C@H]([NH3+])CCCC#N)C[C@@H](C)O1 ZINC000424127381 538242215 /nfs/dbraw/zinc/24/22/15/538242215.db2.gz CTSYARPLVZOQOT-GPMSIDNRSA-N 2 0 358.486 1.933 20 30 FDEDRP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)C[C@@H](C)O1 ZINC000424154059 538247652 /nfs/dbraw/zinc/24/76/52/538247652.db2.gz MBKAPAUSMSWZEA-NUJGCVRESA-N 2 0 350.507 1.745 20 30 FDEDRP CN(CCC[N@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)CC[NH+](C)C ZINC000561788332 545952999 /nfs/dbraw/zinc/95/29/99/545952999.db2.gz XIFCNLCHODJZJO-FQEVSTJZSA-N 2 0 371.529 1.869 20 30 FDEDRP N#CCCC[C@H]([NH3+])C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000563094558 546400778 /nfs/dbraw/zinc/40/07/78/546400778.db2.gz NWOWDMLCXDHRQE-SFHVURJKSA-N 2 0 371.485 1.150 20 30 FDEDRP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)CC1 ZINC000567806413 548266410 /nfs/dbraw/zinc/26/64/10/548266410.db2.gz FDYBXVCJXXUZDY-GOSISDBHSA-N 2 0 359.474 1.272 20 30 FDEDRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000568506776 548565191 /nfs/dbraw/zinc/56/51/91/548565191.db2.gz AMLSIVBNMUXZAY-KRWDZBQOSA-N 2 0 373.501 1.297 20 30 FDEDRP C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000568745338 548661410 /nfs/dbraw/zinc/66/14/10/548661410.db2.gz UGPONYGEBUGOLG-YOEHRIQHSA-N 2 0 361.465 1.776 20 30 FDEDRP N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCCC[NH+]2CCCCC2)nc1 ZINC000577485087 550661064 /nfs/dbraw/zinc/66/10/64/550661064.db2.gz PNPIWDNZIINDKL-UHFFFAOYSA-N 2 0 364.515 1.973 20 30 FDEDRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000577842220 550700350 /nfs/dbraw/zinc/70/03/50/550700350.db2.gz NKQJMVNGSFZDDI-GPJFCIFZSA-N 2 0 372.513 1.446 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H](CC[NH3+])C(F)F)CC2)c1 ZINC000593716111 552181091 /nfs/dbraw/zinc/18/10/91/552181091.db2.gz PMOZFVSWUDCXOP-INIZCTEOSA-N 2 0 365.428 1.804 20 30 FDEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000594438213 552309671 /nfs/dbraw/zinc/30/96/71/552309671.db2.gz HTCGGCDDLXHQOL-LJQANCHMSA-N 2 0 357.502 1.726 20 30 FDEDRP CC[NH+]1CCC(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)CC1 ZINC000595774773 552613694 /nfs/dbraw/zinc/61/36/94/552613694.db2.gz RUSBBMPCQZQQFE-UHFFFAOYSA-N 2 0 370.497 1.754 20 30 FDEDRP CC(C)[C@H](C#N)N1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602794110 553640356 /nfs/dbraw/zinc/64/03/56/553640356.db2.gz FNWIVHNFYCYSDK-LEWJYISDSA-N 2 0 356.514 1.789 20 30 FDEDRP COC1([C@H](C)[NH2+]CC#CC[NH2+][C@@H](C)C2(OC)CCOCC2)CCOCC1 ZINC000625483990 556823988 /nfs/dbraw/zinc/82/39/88/556823988.db2.gz YYFPQXJFZNNCKC-ROUUACIJSA-N 2 0 368.518 1.337 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000104181370 671595010 /nfs/dbraw/zinc/59/50/10/671595010.db2.gz UYEAOYWIFCYWFZ-OAHLLOKOSA-N 2 0 353.511 1.632 20 30 FDEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N(C)Cc1cc(Br)cn1C ZINC000261790657 672672969 /nfs/dbraw/zinc/67/29/69/672672969.db2.gz QJECDIFASDQTLV-LBPRGKRZSA-N 2 0 356.312 1.747 20 30 FDEDRP CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262419253 672786521 /nfs/dbraw/zinc/78/65/21/672786521.db2.gz QTDWFTLSWAQCPX-IRXDYDNUSA-N 2 0 370.563 1.193 20 30 FDEDRP C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262805032 672850762 /nfs/dbraw/zinc/85/07/62/672850762.db2.gz RUSSAOLCZAYTNG-SJLPKXTDSA-N 2 0 353.580 1.559 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(OC)c(OC)c(OC)c1 ZINC000264140213 672902958 /nfs/dbraw/zinc/90/29/58/672902958.db2.gz WIZUATKKEAVEKK-CQSZACIVSA-N 2 0 350.463 1.601 20 30 FDEDRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000329554646 676643700 /nfs/dbraw/zinc/64/37/00/676643700.db2.gz KKUWDDSMGCFURT-CGTJXYLNSA-N 2 0 352.523 1.552 20 30 FDEDRP C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000329701370 676650315 /nfs/dbraw/zinc/65/03/15/676650315.db2.gz HHZNKZWJZQUKML-LZLYRXPVSA-N 2 0 351.539 1.389 20 30 FDEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330170409 676676468 /nfs/dbraw/zinc/67/64/68/676676468.db2.gz DQXQILWODHSMQM-KZNAEPCWSA-N 2 0 352.523 1.742 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000371548066 677723619 /nfs/dbraw/zinc/72/36/19/677723619.db2.gz DSEYOVXXPFTAFL-ZWKOTPCHSA-N 2 0 350.507 1.268 20 30 FDEDRP N#Cc1c2c(cnc1N1C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C1)O3)C[NH2+]CCC2 ZINC001164966118 722067310 /nfs/dbraw/zinc/06/73/10/722067310.db2.gz WFHGMQYPUIVNQO-CALCHBBNSA-N 2 0 353.470 1.288 20 30 FDEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2ccnn2C)C1 ZINC001104306049 774438905 /nfs/dbraw/zinc/43/89/05/774438905.db2.gz IIEWHIFHEOUBSB-GGPKGHCWSA-N 2 0 371.529 1.134 20 30 FDEDRP CC1(C)COCCN1CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000328946445 779442239 /nfs/dbraw/zinc/44/22/39/779442239.db2.gz VKKFEBPHYQAAPY-GOSISDBHSA-N 2 0 360.502 1.875 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659076976 787951771 /nfs/dbraw/zinc/95/17/71/787951771.db2.gz CKVHUECIEJLJLJ-SFHVURJKSA-N 2 0 372.469 1.053 20 30 FDEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415995519 793472113 /nfs/dbraw/zinc/47/21/13/793472113.db2.gz NDJSJDRSYDBLQQ-OAHLLOKOSA-N 2 0 371.407 1.911 20 30 FDEDRP C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]2C)C1=O ZINC001104874487 794160112 /nfs/dbraw/zinc/16/01/12/794160112.db2.gz VZXTYVBSDDZICS-KZNAEPCWSA-N 2 0 364.534 1.189 20 30 FDEDRP C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C)C1=O ZINC001105067291 795130705 /nfs/dbraw/zinc/13/07/05/795130705.db2.gz VOBNBECTZQAEGG-KURKYZTESA-N 2 0 364.534 1.188 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)CC1 ZINC000364239998 795515590 /nfs/dbraw/zinc/51/55/90/795515590.db2.gz ABTWKCNWFPRWER-QFBILLFUSA-N 2 0 374.533 1.753 20 30 FDEDRP CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974595868 799902948 /nfs/dbraw/zinc/90/29/48/799902948.db2.gz MWRNFDJZDDHQSB-QYZOEREBSA-N 2 0 361.530 1.583 20 30 FDEDRP CC[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC#CCOC)C1)[NH+](C)C ZINC001211674755 805175565 /nfs/dbraw/zinc/17/55/65/805175565.db2.gz IXHRWKJOEABAHP-ZCNNSNEGSA-N 2 0 357.498 1.561 20 30 FDEDRP N#Cc1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000279874167 809066104 /nfs/dbraw/zinc/06/61/04/809066104.db2.gz UENVWVNBQCBNKV-UHFFFAOYSA-N 2 0 350.426 1.290 20 30 FDEDRP COC[C@@]1(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCC[NH2+]1 ZINC000418658575 809108868 /nfs/dbraw/zinc/10/88/68/809108868.db2.gz TUMUZQBZMMCSJC-FQEVSTJZSA-N 2 0 373.501 1.400 20 30 FDEDRP CC[NH+]=C(NC[C@H]1CC[N@H+](CC)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000262603081 811506768 /nfs/dbraw/zinc/50/67/68/811506768.db2.gz ZCLMOWXJQNRGPZ-MRXNPFEDSA-N 2 0 361.490 1.345 20 30 FDEDRP COc1cc(C#N)ccc1OCCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000367026567 814237581 /nfs/dbraw/zinc/23/75/81/814237581.db2.gz BDYPRBWYYPSGPT-IEBWSBKVSA-N 2 0 372.513 1.903 20 30 FDEDRP CC[NH+]=C(NCC(C)(C)[NH+]1CCC(OC)CC1)N1CC[C@@]2(CCOC2)C1 ZINC000261947077 817276195 /nfs/dbraw/zinc/27/61/95/817276195.db2.gz GGXKPPHNUIAKRR-HXUWFJFHSA-N 2 0 366.550 1.954 20 30 FDEDRP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC[C@H]([NH+](C)C)C2)CCC[N@@H+]1C ZINC000329489530 824830517 /nfs/dbraw/zinc/83/05/17/824830517.db2.gz HPHUQQDRJMZFHM-XYJFISCASA-N 2 0 362.522 1.743 20 30 FDEDRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccc(C#N)c(F)c4)CC[C@@H]3C2)C1 ZINC001088200137 827434744 /nfs/dbraw/zinc/43/47/44/827434744.db2.gz QRFRUKOHYGBAJJ-QRVBRYPASA-N 2 0 370.472 1.929 20 30 FDEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C(F)(F)F ZINC001112182029 827582929 /nfs/dbraw/zinc/58/29/29/827582929.db2.gz KUEWAMBJVFXLEG-ZIAGYGMSSA-N 2 0 351.413 1.510 20 30 FDEDRP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)N[C@@H]1CCC(=O)N(C)C1 ZINC000262791851 831456638 /nfs/dbraw/zinc/45/66/38/831456638.db2.gz OGUXTVRFSPNASB-MSOLQXFVSA-N 2 0 363.550 1.817 20 30 FDEDRP C[NH+]=C(NCc1cnc(N(C)C)n1C)NC1CC[NH+](C2CCCC2)CC1 ZINC000087506812 841605034 /nfs/dbraw/zinc/60/50/34/841605034.db2.gz AXLAFGXVWVPSMX-UHFFFAOYSA-N 2 0 361.538 1.558 20 30 FDEDRP COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@@H]3C2)cc1C#N ZINC001076569123 848463509 /nfs/dbraw/zinc/46/35/09/848463509.db2.gz KKKMLKRFRHISKO-YQVWRLOYSA-N 2 0 368.481 1.551 20 30 FDEDRP Cc1cc(C#N)cc(C)c1CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000913436384 862046963 /nfs/dbraw/zinc/04/69/63/862046963.db2.gz HTUSZPUZRMACPD-RTBURBONSA-N 2 0 356.514 1.915 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)N[C@@]1(C)CCN(C(=O)C(=C)CC[NH+](C)C)C1 ZINC000908265041 855250534 /nfs/dbraw/zinc/25/05/34/855250534.db2.gz RJSKXOSHUSGSCV-IBGZPJMESA-N 2 0 350.507 1.109 20 30 FDEDRP CCOCCC[NH+]=C(NC[C@@H](C)C[NH+]1CCN(C)CC1)NC(C)(C)C ZINC000912499683 859826538 /nfs/dbraw/zinc/82/65/38/859826538.db2.gz YBPZTKQPVNTFKS-QGZVFWFLSA-N 2 0 355.571 1.630 20 30 FDEDRP CCC[N@@H+]1CC[C@H](CNC(NCCCN2CCOCC2)=[NH+]C(C)(C)C)C1 ZINC000912506020 859830983 /nfs/dbraw/zinc/83/09/83/859830983.db2.gz FRAQLBHVWVIPKM-GOSISDBHSA-N 2 0 367.582 1.774 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CC(OCC)C3)[C@@H]2C)CC1 ZINC001089059150 866381009 /nfs/dbraw/zinc/38/10/09/866381009.db2.gz BCVSGNOCSXBVTL-OQUMVOOASA-N 2 0 361.530 1.726 20 30 FDEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C[C@H]1C ZINC001106144263 871375354 /nfs/dbraw/zinc/37/53/54/871375354.db2.gz YDVUYIQFWXPMJE-AFYVEPGGSA-N 2 0 363.546 1.994 20 30 FDEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001106660138 876454471 /nfs/dbraw/zinc/45/44/71/876454471.db2.gz CLHQOWOMUHXYBD-ZACQAIPSSA-N 2 0 352.523 1.093 20 30 FDEDRP C[NH+](C)Cc1ccc(C(N)=NOCC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000762767818 876509271 /nfs/dbraw/zinc/50/92/71/876509271.db2.gz KRNKDIZSBNYLPF-UHFFFAOYSA-N 2 0 373.501 1.128 20 30 FDEDRP C#CCN(C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC[NH+](C)CC1 ZINC000918857446 884963051 /nfs/dbraw/zinc/96/30/51/884963051.db2.gz OTRQJUVYQXZOGR-IBGZPJMESA-N 2 0 362.518 1.369 20 30 FDEDRP C=CCCC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129054308 885586469 /nfs/dbraw/zinc/58/64/69/885586469.db2.gz BKUOPVSAEAXKTP-KSZLIROESA-N 2 0 360.506 1.460 20 30 FDEDRP N#Cc1ccc(OC[C@@H](O)C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000923350751 888983801 /nfs/dbraw/zinc/98/38/01/888983801.db2.gz NYOVQYLUQJVYNM-DYXWJJEUSA-N 2 0 351.450 1.972 20 30 FDEDRP C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089945549 896730100 /nfs/dbraw/zinc/73/01/00/896730100.db2.gz SEOYQMMTBPYVFL-KZNAEPCWSA-N 2 0 365.518 1.269 20 30 FDEDRP CO[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212437021 897932682 /nfs/dbraw/zinc/93/26/82/897932682.db2.gz WCAZJDYQTLNJSK-AQNXPRMDSA-N 2 0 357.498 1.440 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3ccccc3C#N)C2)CC[N@@H+]1C ZINC001078405510 898747855 /nfs/dbraw/zinc/74/78/55/898747855.db2.gz POBTWCFCENLPOK-NSISKUIASA-N 2 0 370.497 1.606 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CCOCCCC)[C@H](C)C2)CC1 ZINC001107034303 899830627 /nfs/dbraw/zinc/83/06/27/899830627.db2.gz USSBKWQYGCXQPL-UYAOXDASSA-N 2 0 363.546 1.832 20 30 FDEDRP C=CCC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079245968 902255133 /nfs/dbraw/zinc/25/51/33/902255133.db2.gz MDQIYOLSWVYSOX-RBUKOAKNSA-N 2 0 361.530 1.986 20 30 FDEDRP C=CCC[C@@H](C)[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC001107172593 903548507 /nfs/dbraw/zinc/54/85/07/903548507.db2.gz BFJZNFOKXRJHPQ-IIDMSEBBSA-N 2 0 360.506 1.446 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CC(OCC)C3)C[C@H]2C)CC1 ZINC001080998223 906975969 /nfs/dbraw/zinc/97/59/69/906975969.db2.gz WFOLECHIMYVASJ-OYGLOCFBSA-N 2 0 361.530 1.583 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]C[C@@H](C)O)C2)CC1 ZINC001081232083 907432528 /nfs/dbraw/zinc/43/25/28/907432528.db2.gz YDVFAUDUDXWKGL-JRGCBEDISA-N 2 0 369.509 1.297 20 30 FDEDRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC001082719870 909818959 /nfs/dbraw/zinc/81/89/59/909818959.db2.gz RDULCXDBSRYOQN-AUUYWEPGSA-N 2 0 358.461 1.976 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4cnccc4C)C[C@H]32)CC1 ZINC001084850998 917656710 /nfs/dbraw/zinc/65/67/10/917656710.db2.gz IFIABOYVDPZQNB-TZIWHRDSSA-N 2 0 366.509 1.768 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC[C@H]2CCCO2)CC1 ZINC001085432732 924680382 /nfs/dbraw/zinc/68/03/82/924680382.db2.gz NMACPUUISQABHF-VAMGGRTRSA-N 2 0 361.530 1.918 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnns2)CC1 ZINC001085432871 924681062 /nfs/dbraw/zinc/68/10/62/924681062.db2.gz UJAVNCWMUBLUKC-IAGOWNOFSA-N 2 0 361.515 1.400 20 30 FDEDRP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001109977290 930935225 /nfs/dbraw/zinc/93/52/25/930935225.db2.gz CBYPCKMHMIUCMC-QYZOEREBSA-N 2 0 356.470 1.358 20 30 FDEDRP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129686163 938485196 /nfs/dbraw/zinc/48/51/96/938485196.db2.gz YGLNQCAXZIZYPI-KURKYZTESA-N 2 0 362.522 1.684 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1n1ccnn1 ZINC001129924591 938570317 /nfs/dbraw/zinc/57/03/17/938570317.db2.gz BQWSKVPOOFNROP-MSOLQXFVSA-N 2 0 365.441 1.547 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001130047034 938645898 /nfs/dbraw/zinc/64/58/98/938645898.db2.gz SMOIRDOQOGRJKD-SQNIBIBYSA-N 2 0 360.506 1.009 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1c1cn(C)cn1 ZINC001130590417 939897062 /nfs/dbraw/zinc/89/70/62/939897062.db2.gz ORWCPSYWLTZRIA-PKOBYXMFSA-N 2 0 371.529 1.592 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130614879 939912313 /nfs/dbraw/zinc/91/23/13/939912313.db2.gz GCTHKPDYQBWWMU-UHOSZYNNSA-N 2 0 359.518 1.755 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130602714 939914520 /nfs/dbraw/zinc/91/45/20/939914520.db2.gz OVTGEFRSLKNHAA-ZMSDIMECSA-N 2 0 351.470 1.170 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1cn(C)cn1 ZINC001130622173 939920790 /nfs/dbraw/zinc/92/07/90/939920790.db2.gz UZTOYAAFNMLYER-PKOBYXMFSA-N 2 0 371.529 1.899 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130734650 940035176 /nfs/dbraw/zinc/03/51/76/940035176.db2.gz XVZDIEILEAVUSW-SXLOBPIMSA-N 2 0 371.529 1.448 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130736975 940038296 /nfs/dbraw/zinc/03/82/96/940038296.db2.gz RXHHIGLTTMILEI-PKOBYXMFSA-N 2 0 359.518 1.756 20 30 FDEDRP C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[NH+](C)C)n2)O1 ZINC001130802297 940197127 /nfs/dbraw/zinc/19/71/27/940197127.db2.gz MTQDXXYRGGNGIU-LSDHHAIUSA-N 2 0 364.494 1.149 20 30 FDEDRP C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@@H+](C)C(C)C)n2)O1 ZINC001130820235 940227558 /nfs/dbraw/zinc/22/75/58/940227558.db2.gz PFLJUHDXVTZXAN-LSDHHAIUSA-N 2 0 364.494 1.147 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1c1cncn1C ZINC001131003781 940429937 /nfs/dbraw/zinc/42/99/37/940429937.db2.gz PKDGNWSJIZEOSF-IXDOHACOSA-N 2 0 363.481 1.007 20 30 FDEDRP C#C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1CCOCC1 ZINC000823190742 945537651 /nfs/dbraw/zinc/53/76/51/945537651.db2.gz INLKTOJMRQBTHL-SFHVURJKSA-N 2 0 352.523 1.330 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1c1ccc(OC)cc1 ZINC001090874455 947527246 /nfs/dbraw/zinc/52/72/46/947527246.db2.gz CRXBCDZIVXOBMY-ZCNNSNEGSA-N 2 0 355.482 1.697 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001086989224 953013765 /nfs/dbraw/zinc/01/37/65/953013765.db2.gz PSGDERYCDPENDD-XUVXKRRUSA-N 2 0 371.529 1.755 20 30 FDEDRP COc1ccc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@H](C)C2)cc1C#N ZINC001093193944 957751745 /nfs/dbraw/zinc/75/17/45/957751745.db2.gz QVJLVVTWBBBYDQ-SZVBFZGTSA-N 2 0 370.497 1.703 20 30 FDEDRP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093193550 957752364 /nfs/dbraw/zinc/75/23/64/957752364.db2.gz JUMNWHGAEBBDSR-HHXXYDBFSA-N 2 0 370.497 1.703 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C3CC[NH+](C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001093461080 958192484 /nfs/dbraw/zinc/19/24/84/958192484.db2.gz CNYSPIDCNOJMON-WERVVEIQSA-N 2 0 363.546 1.870 20 30 FDEDRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001094169849 959962665 /nfs/dbraw/zinc/96/26/65/959962665.db2.gz ZEGFJUQXFYPUFK-VQIMIIECSA-N 2 0 352.482 1.838 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3cccnc3)[C@H](C)C2)CC1 ZINC001094239918 960158326 /nfs/dbraw/zinc/15/83/26/960158326.db2.gz JNMSRJQPTWQANQ-YLJYHZDGSA-N 2 0 354.498 1.611 20 30 FDEDRP N#Cc1ccc(C(=O)N2CCC([NH+]3CCN(CCC[NH3+])CC3)CC2)cc1 ZINC001173426979 962138141 /nfs/dbraw/zinc/13/81/41/962138141.db2.gz MUONQYNFDZVVMX-UHFFFAOYSA-N 2 0 355.486 1.129 20 30 FDEDRP C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178731342 964398250 /nfs/dbraw/zinc/39/82/50/964398250.db2.gz RVWQCACGRLZWFA-XDNAFOTISA-N 2 0 362.518 1.106 20 30 FDEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC(=O)NCCC#N)CC1 ZINC000775301631 967223286 /nfs/dbraw/zinc/22/32/86/967223286.db2.gz JIKLHMJGGYWHLB-HNNXBMFYSA-N 2 0 361.465 1.648 20 30 FDEDRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C#CC2CC[NH2+]CC2)c1 ZINC000852859315 967663769 /nfs/dbraw/zinc/66/37/69/967663769.db2.gz RWUINOODRARXMM-UHFFFAOYSA-N 2 0 370.497 1.700 20 30 FDEDRP O=C(C#CC1CC[NH2+]CC1)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000852872989 967680050 /nfs/dbraw/zinc/68/00/50/967680050.db2.gz NXWBMEAIDZDUCQ-UHFFFAOYSA-N 2 0 368.525 1.708 20 30 FDEDRP O=C(C#CC1CC[NH2+]CC1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000852873522 967680533 /nfs/dbraw/zinc/68/05/33/967680533.db2.gz XJQJXTSYQGVVMY-UHFFFAOYSA-N 2 0 354.498 1.318 20 30 FDEDRP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194290478 970115695 /nfs/dbraw/zinc/11/56/95/970115695.db2.gz ZPDRYPCSGLEGOQ-RTBURBONSA-N 2 0 360.502 1.816 20 30 FDEDRP C[NH+]1CCN(c2cc(Nc3c(C#N)cnc4c(C#N)cnn43)cc[nH+]2)CC1 ZINC001201655025 975114800 /nfs/dbraw/zinc/11/48/00/975114800.db2.gz OXTCANAGIVHRGW-UHFFFAOYSA-N 2 0 359.397 1.363 20 30 FDEDRP C=CCn1cnc2c1ncnc2Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201655898 975115864 /nfs/dbraw/zinc/11/58/64/975115864.db2.gz UHTQILYYZYBMNN-UHFFFAOYSA-N 2 0 350.430 1.903 20 30 FDEDRP C[NH+](C)CCOc1ccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1 ZINC000884186105 982962158 /nfs/dbraw/zinc/96/21/58/982962158.db2.gz QFIRCCYLKLLYNP-OHTSDLOESA-N 2 0 356.470 1.383 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884643076 984650681 /nfs/dbraw/zinc/65/06/81/984650681.db2.gz WKHAGDRWFHCYFZ-INIZCTEOSA-N 2 0 350.507 1.038 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884643216 984650687 /nfs/dbraw/zinc/65/06/87/984650687.db2.gz ZRHIBBPVPWIFBS-MRXNPFEDSA-N 2 0 350.507 1.038 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CC[C@@H]([NH+](C)[C@@H](C)C(=O)NCC=C)CC1 ZINC000886394037 986148832 /nfs/dbraw/zinc/14/88/32/986148832.db2.gz NLXCOSDMZFUWPP-VPLLLXJESA-N 2 0 364.534 1.543 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000363086306 988910717 /nfs/dbraw/zinc/91/07/17/988910717.db2.gz UERVAPZANYPRGY-UHFFFAOYSA-N 2 0 364.534 1.971 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000876954012 992980911 /nfs/dbraw/zinc/98/09/11/992980911.db2.gz AUEQVTHSWCPEFH-UYAOXDASSA-N 2 0 368.481 1.458 20 30 FDEDRP C[NH+](Cc1cc(C#N)cc(C[N@H+](C)C[C@H](O)C2CC2)c1)C[C@H](O)C1CC1 ZINC000878174381 993761898 /nfs/dbraw/zinc/76/18/98/993761898.db2.gz AMNFHSZTNGMAGE-SFTDATJTSA-N 2 0 357.498 1.964 20 30 FDEDRP C[NH+](Cc1cc(C#N)cc(C[N@H+](C)C[C@@H](O)C2CC2)c1)C[C@@H](O)C1CC1 ZINC000878174379 993762213 /nfs/dbraw/zinc/76/22/13/993762213.db2.gz AMNFHSZTNGMAGE-NHCUHLMSSA-N 2 0 357.498 1.964 20 30 FDEDRP COc1ccccc1CNC(=[NH2+])NCCCC[NH+]1CCC(C(N)=O)CC1 ZINC000264132774 997408266 /nfs/dbraw/zinc/40/82/66/997408266.db2.gz YNAVMKCUBRLYQS-UHFFFAOYSA-N 2 0 361.490 1.077 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)CC1 ZINC000268697358 999449994 /nfs/dbraw/zinc/44/99/94/999449994.db2.gz GGTOKDOBBQUTOE-UHFFFAOYSA-N 2 0 369.513 1.896 20 30 FDEDRP C[NH+]1CCC([C@@H]2CC[N@@H+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C2)CC1 ZINC000270032261 999502633 /nfs/dbraw/zinc/50/26/33/999502633.db2.gz DRAWZFAQYIRRPA-MJGOQNOKSA-N 2 0 366.465 1.854 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000270817669 999619185 /nfs/dbraw/zinc/61/91/85/999619185.db2.gz HXSPHMKGNIGRAX-RTWAWAEBSA-N 2 0 369.509 1.331 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)C(C)C ZINC000419566770 1012573290 /nfs/dbraw/zinc/57/32/90/1012573290.db2.gz GURBWOMCPHSINF-XLIONFOSSA-N 2 0 362.518 1.156 20 30 FDEDRP N#Cc1cscc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000550316225 543066740 /nfs/dbraw/zinc/06/67/40/543066740.db2.gz VHFUAWURTIOPQL-UHFFFAOYSA-N 2 0 355.467 1.957 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)CC1 ZINC000553396138 543625983 /nfs/dbraw/zinc/62/59/83/543625983.db2.gz WKGVXOSDXXEWSG-UHFFFAOYSA-N 2 0 350.507 1.132 20 30 FDEDRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000139467694 524289511 /nfs/dbraw/zinc/28/95/11/524289511.db2.gz DAAXXBUQKJNCKK-LJQANCHMSA-N 2 0 355.486 1.870 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000089896887 524539999 /nfs/dbraw/zinc/53/99/99/524539999.db2.gz IAGODXNYNLOJJV-WOJBJXKFSA-N 2 0 372.513 1.571 20 30 FDEDRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCC(=O)N(C)CCC#N)CC2)C[C@H](C)O1 ZINC000092799854 524917664 /nfs/dbraw/zinc/91/76/64/524917664.db2.gz AUMAKIDIANJVOY-HDICACEKSA-N 2 0 364.534 1.960 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000124641520 525039296 /nfs/dbraw/zinc/03/92/96/525039296.db2.gz UGIFSZFPPLDQOX-SFHVURJKSA-N 2 0 371.485 1.371 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000124641278 525040809 /nfs/dbraw/zinc/04/08/09/525040809.db2.gz UGIFSZFPPLDQOX-GOSISDBHSA-N 2 0 371.485 1.371 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](CCOC)[C@@H](CCC)C2)CC1 ZINC000179538026 525599263 /nfs/dbraw/zinc/59/92/63/525599263.db2.gz YUWXULGBJWZRPT-SFHVURJKSA-N 2 0 352.523 1.779 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)CC1 ZINC000106340700 525696853 /nfs/dbraw/zinc/69/68/53/525696853.db2.gz MJCLKAVALOIWSJ-KRWDZBQOSA-N 2 0 364.534 1.922 20 30 FDEDRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(C#N)c1 ZINC000120418196 526056576 /nfs/dbraw/zinc/05/65/76/526056576.db2.gz QAGOZSCBXRFWKB-FQEVSTJZSA-N 2 0 350.466 1.937 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000188168271 536284732 /nfs/dbraw/zinc/28/47/32/536284732.db2.gz ARHLYZIJHSSPBE-QFIPXVFZSA-N 2 0 369.509 1.427 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000433325687 538224825 /nfs/dbraw/zinc/22/48/25/538224825.db2.gz KGHMHEQUUDMVEU-QGZVFWFLSA-N 2 0 352.523 1.827 20 30 FDEDRP CC[NH+](CC)CCS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000583409740 551347161 /nfs/dbraw/zinc/34/71/61/551347161.db2.gz AQIYWPNJMGBCJN-UHFFFAOYSA-N 2 0 366.531 1.593 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000583770489 551399717 /nfs/dbraw/zinc/39/97/17/551399717.db2.gz FWEQEFHOXYMABC-IYBDPMFKSA-N 2 0 350.507 1.132 20 30 FDEDRP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC000593714546 552180758 /nfs/dbraw/zinc/18/07/58/552180758.db2.gz YFLYXCXIUHUHAW-KXBFYZLASA-N 2 0 355.486 1.962 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)c1 ZINC000593716122 552181069 /nfs/dbraw/zinc/18/10/69/552181069.db2.gz PVCYTTSDRHWHDK-APWZRJJASA-N 2 0 355.486 1.949 20 30 FDEDRP N#Cc1ccc([C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C(N)=O)cc1 ZINC000594712732 552361429 /nfs/dbraw/zinc/36/14/29/552361429.db2.gz WQEKBJMWJYDQIK-LJQANCHMSA-N 2 0 356.470 1.565 20 30 FDEDRP N#Cc1ccc([C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C(N)=O)cc1 ZINC000594712731 552361489 /nfs/dbraw/zinc/36/14/89/552361489.db2.gz WQEKBJMWJYDQIK-IBGZPJMESA-N 2 0 356.470 1.565 20 30 FDEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600718669 553306616 /nfs/dbraw/zinc/30/66/16/553306616.db2.gz QVTHSOKBERJQTR-FQEVSTJZSA-N 2 0 356.514 1.968 20 30 FDEDRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602053368 553508850 /nfs/dbraw/zinc/50/88/50/553508850.db2.gz SQNWNZGUEWJHGO-ZDUSSCGKSA-N 2 0 363.437 1.024 20 30 FDEDRP C=C(CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000620749596 555979149 /nfs/dbraw/zinc/97/91/49/555979149.db2.gz GGRXAFNGYSCYBS-XSLAGTTESA-N 2 0 364.534 1.236 20 30 FDEDRP COC1([C@@H](C)[NH2+]CC#CC[NH2+][C@H](C)C2(OC)CCOCC2)CCOCC1 ZINC000625483989 556823981 /nfs/dbraw/zinc/82/39/81/556823981.db2.gz YYFPQXJFZNNCKC-QZTJIDSGSA-N 2 0 368.518 1.337 20 30 FDEDRP CC(C)(C)OC(=O)N1CCN2C(NCC[NH+]3CCCCC3)=[NH+]C[C@H]2C1 ZINC000089120211 671491650 /nfs/dbraw/zinc/49/16/50/671491650.db2.gz JRQRVNVCWGNHJB-HNNXBMFYSA-N 2 0 351.495 1.353 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000134119127 671826099 /nfs/dbraw/zinc/82/60/99/671826099.db2.gz ZJYPLGUAHQRLHT-OAHLLOKOSA-N 2 0 353.511 1.490 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1ncccc1C(F)(F)F ZINC000160517960 672002525 /nfs/dbraw/zinc/00/25/25/672002525.db2.gz SZDHIALPQWNGHD-LBPRGKRZSA-N 2 0 359.396 1.868 20 30 FDEDRP C[NH+]=C(NC[C@@H]1COCCO1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000262575568 672809734 /nfs/dbraw/zinc/80/97/34/672809734.db2.gz OFHOTLONYUSHJF-QGZVFWFLSA-N 2 0 352.523 1.756 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1cccs1)N1CCOCC1 ZINC000264085729 672900792 /nfs/dbraw/zinc/90/07/92/672900792.db2.gz JQNYZZNFHUQCCA-CVEARBPZSA-N 2 0 365.547 1.510 20 30 FDEDRP CCC(CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)N1CCOCC1 ZINC000303790339 676543128 /nfs/dbraw/zinc/54/31/28/676543128.db2.gz WBWJMVGDCKAXNH-ZWKOTPCHSA-N 2 0 353.555 1.512 20 30 FDEDRP CC[NH+]1CCC(NC(=O)CN2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)CC1 ZINC000328943855 676613122 /nfs/dbraw/zinc/61/31/22/676613122.db2.gz FWQXMABBFCNGKL-CVEARBPZSA-N 2 0 351.495 1.508 20 30 FDEDRP C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C[C@H]1C(N)=O ZINC000329130959 676621735 /nfs/dbraw/zinc/62/17/35/676621735.db2.gz ORIQOYAXPJCFNR-CZUORRHYSA-N 2 0 351.495 1.562 20 30 FDEDRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000330245206 676680741 /nfs/dbraw/zinc/68/07/41/676680741.db2.gz XOZPZXUKNIZKKH-KZNAEPCWSA-N 2 0 352.523 1.694 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000368519584 677500240 /nfs/dbraw/zinc/50/02/40/677500240.db2.gz SGOXVUXRBNBQTC-FUHWJXTLSA-N 2 0 350.507 1.437 20 30 FDEDRP C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nn1 ZINC001105243752 795531521 /nfs/dbraw/zinc/53/15/21/795531521.db2.gz IIFOWTOABQURQH-ZWKOTPCHSA-N 2 0 360.506 1.448 20 30 FDEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1ccccc1 ZINC001211661893 801033027 /nfs/dbraw/zinc/03/30/27/801033027.db2.gz LJZVPSKEXIPLOT-VQTJNVASSA-N 2 0 369.509 1.562 20 30 FDEDRP C=CC[C@@]1(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCC[NH2+]1 ZINC000662717127 802870813 /nfs/dbraw/zinc/87/08/13/802870813.db2.gz XPVQSSYPZLFTDS-NRFANRHFSA-N 2 0 357.498 1.958 20 30 FDEDRP C=CC[C@]1(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCC[NH2+]1 ZINC000662717129 802870931 /nfs/dbraw/zinc/87/09/31/802870931.db2.gz XPVQSSYPZLFTDS-OAQYLSRUSA-N 2 0 357.498 1.958 20 30 FDEDRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC#CCOC)C1 ZINC001211713445 809069029 /nfs/dbraw/zinc/06/90/29/809069029.db2.gz LZTIFLXHENEXOF-VQTJNVASSA-N 2 0 357.498 1.562 20 30 FDEDRP C=CC[C@H](CC)NC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419135368 809599652 /nfs/dbraw/zinc/59/96/52/809599652.db2.gz LGWFLCRPFGPGHP-SFHVURJKSA-N 2 0 372.513 1.567 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CC1 ZINC000333135572 810473596 /nfs/dbraw/zinc/47/35/96/810473596.db2.gz CHLZYIPJWANFPM-UHFFFAOYSA-N 2 0 363.550 1.543 20 30 FDEDRP C=CC[NH+]=C(NCc1nnc(C)n1C)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000261933643 811346733 /nfs/dbraw/zinc/34/67/33/811346733.db2.gz BWQRJCPALRZAFT-FUHWJXTLSA-N 2 0 371.533 1.704 20 30 FDEDRP C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261950654 811351666 /nfs/dbraw/zinc/35/16/66/811351666.db2.gz HFULITKRKZSQSN-APWZRJJASA-N 2 0 371.529 1.465 20 30 FDEDRP N#CC1(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000419429749 811937774 /nfs/dbraw/zinc/93/77/74/811937774.db2.gz AXUWDWGAGNQIPJ-UHFFFAOYSA-N 2 0 356.474 1.587 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cncn3C)[C@@H]2CC)CC1 ZINC001087840240 822559010 /nfs/dbraw/zinc/55/90/10/822559010.db2.gz NKOZULKMFLFMNC-RBUKOAKNSA-N 2 0 357.502 1.234 20 30 FDEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC#Cc3ccccc3)CC[C@@H]2C1 ZINC001087908886 823734480 /nfs/dbraw/zinc/73/44/80/823734480.db2.gz QCHGBERTHASZHY-QHAWAJNXSA-N 2 0 351.494 1.913 20 30 FDEDRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000329305743 824725341 /nfs/dbraw/zinc/72/53/41/824725341.db2.gz YJDIDMDFKZSPHY-NXWXRZEISA-N 2 0 364.534 1.837 20 30 FDEDRP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCC[NH+]1C ZINC000329510806 824844160 /nfs/dbraw/zinc/84/41/60/824844160.db2.gz MVLXXJMRJUFAMB-XYJFISCASA-N 2 0 360.506 1.497 20 30 FDEDRP C[NH+]=C(NCCOc1ccc2c(c1)OCO2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262488793 827459482 /nfs/dbraw/zinc/45/94/82/827459482.db2.gz UEGJBAPKGAIHQY-INIZCTEOSA-N 2 0 374.485 1.930 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105650754 842440171 /nfs/dbraw/zinc/44/01/71/842440171.db2.gz AKOSAIIMZCGRDM-NEYJZJCJSA-N 2 0 363.546 1.870 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[NH+](CC)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105661373 842690658 /nfs/dbraw/zinc/69/06/58/842690658.db2.gz IEHMQYZPFWSWNK-HNBVOPMISA-N 2 0 351.535 1.870 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C(C)C)C[C@H]1O ZINC001105667073 843499770 /nfs/dbraw/zinc/49/97/70/843499770.db2.gz NRFVEXMKWJDWKC-IKVWTGGYSA-N 2 0 361.530 1.624 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[N@@H+](C)CCC)[C@H]2C(C)C)C[C@H]1O ZINC001105668593 843837378 /nfs/dbraw/zinc/83/73/78/843837378.db2.gz LGZIEMMWJPAERO-QCFAMHMHSA-N 2 0 363.546 1.708 20 30 FDEDRP C[NH+]1CCN(c2ccc(CN[C@H](C(N)=O)c3ccc(C#N)cc3)cc2)CC1 ZINC000905788858 852257925 /nfs/dbraw/zinc/25/79/25/852257925.db2.gz NHDYSOJSBBQRMB-FQEVSTJZSA-N 2 0 363.465 1.626 20 30 FDEDRP CC(C)[N@@H+]1CC[C@@H](CNC(NCCCN2CCOCC2)=[NH+]C(C)(C)C)C1 ZINC000912507107 859831588 /nfs/dbraw/zinc/83/15/88/859831588.db2.gz UYDHXLMAYIAHKW-SFHVURJKSA-N 2 0 367.582 1.773 20 30 FDEDRP C[NH+]=C(NCc1ccc(N2CC[NH+](C)CC2)nc1)N1CC[C@]2(CCOC2)C1 ZINC000157989749 863962390 /nfs/dbraw/zinc/96/23/90/863962390.db2.gz YBIBMDUOUABUOY-FQEVSTJZSA-N 2 0 372.517 1.021 20 30 FDEDRP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)[C@H]2C)C1=O ZINC001088899103 865324161 /nfs/dbraw/zinc/32/41/61/865324161.db2.gz MPUCBBOEDMIDJT-BPQIPLTHSA-N 2 0 362.518 1.084 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCO[C@H]3CC3(F)F)[C@@H]2C)CC1 ZINC001089059268 866384578 /nfs/dbraw/zinc/38/45/78/866384578.db2.gz GQYIJUWYOLNILR-PVAVHDDUSA-N 2 0 369.456 1.335 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ccc(OC)nc3)[C@@H]2C)CC1 ZINC001089059882 866388346 /nfs/dbraw/zinc/38/83/46/866388346.db2.gz GVJFJZVEEVQQFP-APWZRJJASA-N 2 0 370.497 1.514 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cnccc3C)[C@@H]2C)CC1 ZINC001089059991 866389845 /nfs/dbraw/zinc/38/98/45/866389845.db2.gz MEWWNPPVZPKYJQ-XLIONFOSSA-N 2 0 354.498 1.814 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)C(C)C ZINC000457753599 867671701 /nfs/dbraw/zinc/67/17/01/867671701.db2.gz QHIIGNQGGHAGBT-CEXWTWQISA-N 2 0 366.550 1.782 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000917137577 883111698 /nfs/dbraw/zinc/11/16/98/883111698.db2.gz RUEOBQRYLONAGP-XSYGEPLQSA-N 2 0 364.534 1.416 20 30 FDEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001106860276 881178009 /nfs/dbraw/zinc/17/80/09/881178009.db2.gz QWRJLASHPGYGBW-YLJYHZDGSA-N 2 0 363.546 1.995 20 30 FDEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001106862623 881303380 /nfs/dbraw/zinc/30/33/80/881303380.db2.gz LZIPCUZZIASHPV-WOIUINJBSA-N 2 0 371.525 1.797 20 30 FDEDRP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001128989000 884804444 /nfs/dbraw/zinc/80/44/44/884804444.db2.gz JPDWLSGPIWKZFC-KURKYZTESA-N 2 0 360.506 1.459 20 30 FDEDRP C=CCCC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129054309 885585058 /nfs/dbraw/zinc/58/50/58/885585058.db2.gz BKUOPVSAEAXKTP-KURKYZTESA-N 2 0 360.506 1.460 20 30 FDEDRP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129199399 886265357 /nfs/dbraw/zinc/26/53/57/886265357.db2.gz HZPZPFXMBDSRQR-FJIDUMEYSA-N 2 0 360.506 1.316 20 30 FDEDRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 ZINC000923531077 889632280 /nfs/dbraw/zinc/63/22/80/889632280.db2.gz NLPNTAZLLXSMJF-PQFOHKHZSA-N 2 0 368.268 1.940 20 30 FDEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084352200 914152251 /nfs/dbraw/zinc/15/22/51/914152251.db2.gz XLSCLTRNFKNQPB-WTGUMLROSA-N 2 0 361.530 1.842 20 30 FDEDRP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981508 897448878 /nfs/dbraw/zinc/44/88/78/897448878.db2.gz RIZKQGZEVCNONX-FGTMMUONSA-N 2 0 364.534 1.047 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4cccc(C#N)c4)C[C@H]32)CC[N@@H+]1C ZINC001084355961 914174166 /nfs/dbraw/zinc/17/41/66/914174166.db2.gz RFPHQYWHNLQFLD-HUYLIWGRSA-N 2 0 352.482 1.931 20 30 FDEDRP C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2CC[NH+](C)CC2)C1 ZINC001079142844 901951832 /nfs/dbraw/zinc/95/18/32/901951832.db2.gz XLHSKGDVHSVGHZ-NHCUHLMSSA-N 2 0 371.525 1.978 20 30 FDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079260569 902297735 /nfs/dbraw/zinc/29/77/35/902297735.db2.gz CFLYJDDMKYGPTC-GBESFXJTSA-N 2 0 361.530 1.986 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710598 903121613 /nfs/dbraw/zinc/12/16/13/903121613.db2.gz PBPKJVFJXUXANO-UIAACRFSSA-N 2 0 352.482 1.837 20 30 FDEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC#CCOC)CC2 ZINC001107426097 904846468 /nfs/dbraw/zinc/84/64/68/904846468.db2.gz FZSTVJSKTKNJPC-QKNQBKEWSA-N 2 0 361.530 1.871 20 30 FDEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](OC)C1 ZINC001082132910 905929393 /nfs/dbraw/zinc/92/93/93/905929393.db2.gz XGIQIPGSYZTVAW-GPMSIDNRSA-N 2 0 355.498 1.981 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3scnc3C)C[C@H]2C)CC1 ZINC001080998304 906975646 /nfs/dbraw/zinc/97/56/46/906975646.db2.gz YAMGTMNNHWSXIH-RHSMWYFYSA-N 2 0 360.527 1.733 20 30 FDEDRP CC[NH+]=C(NCC[N@@H+]1CCC[C@@H](C)C1)N1CCN(c2ncccn2)CC1 ZINC000073447179 909731923 /nfs/dbraw/zinc/73/19/23/909731923.db2.gz SNESHQOBYXDVMZ-QGZVFWFLSA-N 2 0 359.522 1.296 20 30 FDEDRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001082742465 909944676 /nfs/dbraw/zinc/94/46/76/909944676.db2.gz GWWNUMPAOSJDLH-QMTMVMCOSA-N 2 0 358.461 1.976 20 30 FDEDRP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001109977756 930937026 /nfs/dbraw/zinc/93/70/26/930937026.db2.gz YEURPMHQVRYLCH-QYZOEREBSA-N 2 0 356.470 1.358 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129982736 938597548 /nfs/dbraw/zinc/59/75/48/938597548.db2.gz IXBDZVNKNUNBPK-CVEARBPZSA-N 2 0 358.446 1.164 20 30 FDEDRP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123150 938705013 /nfs/dbraw/zinc/70/50/13/938705013.db2.gz IUJSCYPRKDFWQA-KURKYZTESA-N 2 0 362.522 1.542 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130612386 939910270 /nfs/dbraw/zinc/91/02/70/939910270.db2.gz XXMDQZMLKPNDKH-UHOSZYNNSA-N 2 0 361.534 1.857 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1c1cn(C)cn1 ZINC001130714852 940006617 /nfs/dbraw/zinc/00/66/17/940006617.db2.gz MNXNSDQPLIIEPZ-FUHWJXTLSA-N 2 0 366.469 1.102 20 30 FDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130728902 940017593 /nfs/dbraw/zinc/01/75/93/940017593.db2.gz OTPQLGNWMFUMAV-JENIJYKNSA-N 2 0 359.518 1.755 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1c1cn(C)cn1 ZINC001130731546 940045208 /nfs/dbraw/zinc/04/52/08/940045208.db2.gz JOYHEVWPTHUASY-AZUAARDMSA-N 2 0 371.529 1.594 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001130988907 940410781 /nfs/dbraw/zinc/41/07/81/940410781.db2.gz PHGOXEPYLCSQBP-KURKYZTESA-N 2 0 357.502 1.200 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1c1cncn1C ZINC001131003276 940429603 /nfs/dbraw/zinc/42/96/03/940429603.db2.gz BILKVGHSCONPJO-KURKYZTESA-N 2 0 357.502 1.202 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131035520 940464937 /nfs/dbraw/zinc/46/49/37/940464937.db2.gz DPELKZAAGFCIQE-QWFCFKBJSA-N 2 0 371.529 1.755 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131036062 940465491 /nfs/dbraw/zinc/46/54/91/940465491.db2.gz YOZLLDWBNBVPCM-GGPKGHCWSA-N 2 0 369.513 1.202 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1c1cncn1C ZINC001131128251 940509876 /nfs/dbraw/zinc/50/98/76/940509876.db2.gz ZPNLEYULGBVSPG-QZTJIDSGSA-N 2 0 357.502 1.203 20 30 FDEDRP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001131595385 940778344 /nfs/dbraw/zinc/77/83/44/940778344.db2.gz WLSDLZXSESFSEZ-QUCCMNQESA-N 2 0 370.497 1.770 20 30 FDEDRP CC[NH+]=C(NCC[N@@H+]1CCCC[C@H]1C)N1CCN(c2ncccn2)CC1 ZINC000114067133 971022109 /nfs/dbraw/zinc/02/21/09/971022109.db2.gz JEDBHNIZOXPWCF-QGZVFWFLSA-N 2 0 359.522 1.439 20 30 FDEDRP C#CCNC(=O)CC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856604111 971250031 /nfs/dbraw/zinc/25/00/31/971250031.db2.gz JJBWKVMWRYJQQQ-LJQANCHMSA-N 2 0 358.486 1.514 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001086980909 953031070 /nfs/dbraw/zinc/03/10/70/953031070.db2.gz CKUGNOPVJRFBOI-DLBZAZTESA-N 2 0 371.510 1.374 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1c1cnn(C)c1 ZINC001087007593 953093584 /nfs/dbraw/zinc/09/35/84/953093584.db2.gz LMXVGXQPZBTNMO-NSHGMRRFSA-N 2 0 357.502 1.366 20 30 FDEDRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001087101167 953272323 /nfs/dbraw/zinc/27/23/23/953272323.db2.gz WWSNLFTXFSESIV-VAMGGRTRSA-N 2 0 370.497 1.463 20 30 FDEDRP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319506 972193205 /nfs/dbraw/zinc/19/32/05/972193205.db2.gz KOTWSEXZOBDQFP-QZTJIDSGSA-N 2 0 353.507 1.005 20 30 FDEDRP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001093466715 958211480 /nfs/dbraw/zinc/21/14/80/958211480.db2.gz PBZQQWBLISDWKG-UKAVVXHISA-N 2 0 363.546 1.870 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001093673238 958516432 /nfs/dbraw/zinc/51/64/32/958516432.db2.gz MZAUPVZLSCBEDK-LSBZLQRGSA-N 2 0 358.461 1.976 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3nocc3C)[C@H](C)C2)CC1 ZINC001094239744 960158309 /nfs/dbraw/zinc/15/83/09/960158309.db2.gz AJFSWCXCSYDKRJ-CRAIPNDOSA-N 2 0 358.486 1.512 20 30 FDEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccn(CC[NH+](C)C)n3)CCC[C@@H]12 ZINC001094417325 960409250 /nfs/dbraw/zinc/40/92/50/960409250.db2.gz UPXHMJMBIAHXOX-UYAOXDASSA-N 2 0 357.502 1.442 20 30 FDEDRP O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554075 961218175 /nfs/dbraw/zinc/21/81/75/961218175.db2.gz FHKWUSMTQZBSBZ-UHFFFAOYSA-N 2 0 374.444 1.893 20 30 FDEDRP C[NH+]1CCN(CCC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172969144 961855601 /nfs/dbraw/zinc/85/56/01/961855601.db2.gz WIBNKGJGOVUNAA-IRXDYDNUSA-N 2 0 365.522 1.505 20 30 FDEDRP C[NH+](C)CCN(CC[NH+](C)C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172985747 961869446 /nfs/dbraw/zinc/86/94/46/961869446.db2.gz RQPNACWDNLGIKU-IRXDYDNUSA-N 2 0 367.538 1.703 20 30 FDEDRP C[N@@H+]1CCCN(CC[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173425651 962133788 /nfs/dbraw/zinc/13/37/88/962133788.db2.gz GRVQZCPEFYBIDH-UHFFFAOYSA-N 2 0 369.513 1.390 20 30 FDEDRP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000848395488 976716996 /nfs/dbraw/zinc/71/69/96/976716996.db2.gz UFSCMNHFSTXJLV-INIZCTEOSA-N 2 0 358.442 1.945 20 30 FDEDRP C#CC[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849594517 977807786 /nfs/dbraw/zinc/80/77/86/977807786.db2.gz DNXDWYBGICMMRO-RBUKOAKNSA-N 2 0 359.518 1.305 20 30 FDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC000884193757 982969641 /nfs/dbraw/zinc/96/96/41/982969641.db2.gz OOHCALRKBMEOIS-JMDAGXMHSA-N 2 0 352.482 1.907 20 30 FDEDRP C[NH+](C)CCCOc1ccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1 ZINC000884211705 982988653 /nfs/dbraw/zinc/98/86/53/982988653.db2.gz LPYPFXSVCVSRIK-IDYZSHNDSA-N 2 0 370.497 1.773 20 30 FDEDRP C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C1([NH+]2CCOCC2)CCCC1 ZINC000884227282 983000542 /nfs/dbraw/zinc/00/05/42/983000542.db2.gz LZDZJKJKJAFHQJ-WPZCVXBKSA-N 2 0 360.502 1.275 20 30 FDEDRP CCC1([NH+]2CCOCC2)CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884442446 983157677 /nfs/dbraw/zinc/15/76/77/983157677.db2.gz FQCFQHZNSFKYOC-TVRKMHQQSA-N 2 0 360.502 1.229 20 30 FDEDRP C[NH+](C)C[C@@H]1CCN(c2ccc(C#N)c(N3CC[C@H](C[NH+](C)C)C3)n2)C1 ZINC000293219546 987994007 /nfs/dbraw/zinc/99/40/07/987994007.db2.gz XZVLRCVMVCWEAA-DLBZAZTESA-N 2 0 356.518 1.729 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](CCc3ccncc3)CC2)CC1 ZINC000363110182 988926444 /nfs/dbraw/zinc/92/64/44/988926444.db2.gz HORQKWAEICWCRS-UHFFFAOYSA-N 2 0 368.525 1.892 20 30 FDEDRP C#Cc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000124655841 989160341 /nfs/dbraw/zinc/16/03/41/989160341.db2.gz MKWDSJASYLIEPT-IBGZPJMESA-N 2 0 370.497 1.481 20 30 FDEDRP C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000296474694 989230446 /nfs/dbraw/zinc/23/04/46/989230446.db2.gz WWQSRBAYCZTBOY-UHFFFAOYSA-N 2 0 360.502 1.771 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)CC1 ZINC000370913305 990117263 /nfs/dbraw/zinc/11/72/63/990117263.db2.gz WDSXIKCXXIAEQT-IEBWSBKVSA-N 2 0 357.502 1.264 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000876866682 992941561 /nfs/dbraw/zinc/94/15/61/992941561.db2.gz KDCKBRCSGYQPHX-QYZOEREBSA-N 2 0 354.454 1.100 20 30 FDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1 ZINC000876966085 992988152 /nfs/dbraw/zinc/98/81/52/992988152.db2.gz MLLXXEJZNLTOPW-QEJZJMRPSA-N 2 0 355.841 1.866 20 30 FDEDRP C[NH+]1CCN(C2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)CC1 ZINC000879590814 995057640 /nfs/dbraw/zinc/05/76/40/995057640.db2.gz LHAFLCZLLKMMQE-IBGZPJMESA-N 2 0 358.486 1.010 20 30 FDEDRP C[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)CCN1c1cc[nH+]cc1 ZINC000880259428 995762062 /nfs/dbraw/zinc/76/20/62/995762062.db2.gz SNQWKRHDXIUHOF-QFBILLFUSA-N 2 0 352.438 1.904 20 30 FDEDRP CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])NCCCN1CCOCC1 ZINC000264080654 997398679 /nfs/dbraw/zinc/39/86/79/997398679.db2.gz IHWNYPAOTBBLNM-UHFFFAOYSA-N 2 0 361.534 1.655 20 30 FDEDRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000266898685 999259733 /nfs/dbraw/zinc/25/97/33/999259733.db2.gz FVAHUYRTZJZNLT-LJQANCHMSA-N 2 0 355.486 1.233 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000928648732 1001607052 /nfs/dbraw/zinc/60/70/52/1001607052.db2.gz QVFIAYXCGZKBDI-VQTJNVASSA-N 2 0 371.529 1.448 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652147138 1016769036 /nfs/dbraw/zinc/76/90/36/1016769036.db2.gz JPGDMZPZYJUGKA-YQVWRLOYSA-N 2 0 364.534 1.955 20 30 FDEDRP C#CCN(C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000931062595 1003834858 /nfs/dbraw/zinc/83/48/58/1003834858.db2.gz RNGAZGMPXYMJQN-IBGZPJMESA-N 2 0 374.529 1.066 20 30 FDEDRP CC[C@H](CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)[NH+]1CCCC1 ZINC000089120421 1006010860 /nfs/dbraw/zinc/01/08/60/1006010860.db2.gz DIFUEVIVPQEYOG-CVEARBPZSA-N 2 0 365.522 1.741 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccccc1)N1CCOCC1 ZINC000245910878 1006209789 /nfs/dbraw/zinc/20/97/89/1006209789.db2.gz PCKSBCCNHFODDC-RBUKOAKNSA-N 2 0 359.518 1.449 20 30 FDEDRP C[C@@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC000303879496 1009647659 /nfs/dbraw/zinc/64/76/59/1009647659.db2.gz JPNRYQQNMLLKKJ-INIZCTEOSA-N 2 0 367.538 1.976 20 30 FDEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CC1 ZINC000303898910 1009683176 /nfs/dbraw/zinc/68/31/76/1009683176.db2.gz RJKKLMPHDJIBNB-OAHLLOKOSA-N 2 0 361.490 1.601 20 30 FDEDRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=[NH2+])N3CCCCC3)c2)C1 ZINC000304759134 1010477489 /nfs/dbraw/zinc/47/74/89/1010477489.db2.gz QUTBRCXHGVQKNF-SFHVURJKSA-N 2 0 357.502 1.685 20 30 FDEDRP CC(C)CCNC(=[NH2+])NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000304765161 1010489909 /nfs/dbraw/zinc/48/99/09/1010489909.db2.gz YXVZXAQGFOOHEI-SFHVURJKSA-N 2 0 359.518 1.834 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000553669912 543677888 /nfs/dbraw/zinc/67/78/88/543677888.db2.gz OXYHZCOGRFHCRQ-UHFFFAOYSA-N 2 0 364.534 1.333 20 30 FDEDRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000107370705 525879664 /nfs/dbraw/zinc/87/96/64/525879664.db2.gz VTAAJTQXPZYQCT-OALUTQOASA-N 2 0 358.486 1.010 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)CC1 ZINC000171737245 526103910 /nfs/dbraw/zinc/10/39/10/526103910.db2.gz FZEBQNIYNHAPEK-UHFFFAOYSA-N 2 0 359.474 1.572 20 30 FDEDRP C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000134180248 526133416 /nfs/dbraw/zinc/13/34/16/526133416.db2.gz QHMUKBQPIVVJRU-MRXNPFEDSA-N 2 0 358.490 1.254 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)CC1 ZINC000185358693 536206368 /nfs/dbraw/zinc/20/63/68/536206368.db2.gz NCBWBHMYDIBBEK-UHFFFAOYSA-N 2 0 365.566 1.742 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000193862435 537256230 /nfs/dbraw/zinc/25/62/30/537256230.db2.gz FOTJBLOMVZAYBE-UHFFFAOYSA-N 2 0 359.474 1.229 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC([N@H+](C)CCO)CC1)C(C)C ZINC000274863146 537532946 /nfs/dbraw/zinc/53/29/46/537532946.db2.gz QCJXVZJAPZZPQQ-IBGZPJMESA-N 2 0 366.550 1.783 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275580405 537556990 /nfs/dbraw/zinc/55/69/90/537556990.db2.gz HSTJHQFFBKKEPW-UHFFFAOYSA-N 2 0 372.513 1.886 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC000367043979 537925659 /nfs/dbraw/zinc/92/56/59/537925659.db2.gz COOGSLZQJCKVJY-PKOBYXMFSA-N 2 0 363.550 1.304 20 30 FDEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000451981205 538344997 /nfs/dbraw/zinc/34/49/97/538344997.db2.gz IFHRBNZUNYCLPM-UHFFFAOYSA-N 2 0 371.529 1.939 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000483918181 538746641 /nfs/dbraw/zinc/74/66/41/538746641.db2.gz RCELZEBZZPLZOK-INIZCTEOSA-N 2 0 364.534 1.380 20 30 FDEDRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C[C@H](O)CN(C)CCC#N)cc2)C[C@H](C)O1 ZINC000565291680 547293116 /nfs/dbraw/zinc/29/31/16/547293116.db2.gz AWCLFUHKQUHPQJ-UEXGIBASSA-N 2 0 374.529 1.592 20 30 FDEDRP N#CCc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000591756040 551906426 /nfs/dbraw/zinc/90/64/26/551906426.db2.gz JUMINXIRNWZVOC-NRSPTQNISA-N 2 0 373.497 1.460 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000593713826 552180838 /nfs/dbraw/zinc/18/08/38/552180838.db2.gz AWLCFFBJGXYPRR-SFHVURJKSA-N 2 0 355.486 1.964 20 30 FDEDRP C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H](C)C[NH2+]1 ZINC000593718893 552182126 /nfs/dbraw/zinc/18/21/26/552182126.db2.gz AKOPVJVMYVFYPZ-CVEARBPZSA-N 2 0 355.486 1.914 20 30 FDEDRP COCC1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[NH2+]CC1 ZINC000593918938 552225537 /nfs/dbraw/zinc/22/55/37/552225537.db2.gz LQKQPZJRHRVXQQ-UHFFFAOYSA-N 2 0 370.497 1.655 20 30 FDEDRP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594437766 552310031 /nfs/dbraw/zinc/31/00/31/552310031.db2.gz FFWIDNREXNNXMG-IBGZPJMESA-N 2 0 373.501 1.663 20 30 FDEDRP CN(CC1C[NH+](C)C1)c1cc(N(C)CC2C[NH+](C)C2)c([N+](=O)[O-])cc1C#N ZINC000596454277 552680765 /nfs/dbraw/zinc/68/07/65/552680765.db2.gz SFIFRSFITJKIHA-UHFFFAOYSA-N 2 0 372.473 1.462 20 30 FDEDRP N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CC34CC[NH2+]CC4)CC2)cc1 ZINC000597439365 552789422 /nfs/dbraw/zinc/78/94/22/552789422.db2.gz IAZUQNPUPCVERR-IBGZPJMESA-N 2 0 367.497 1.918 20 30 FDEDRP N#Cc1ccc(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000599235098 552996719 /nfs/dbraw/zinc/99/67/19/552996719.db2.gz ISTOSXOZPFUXQN-UHFFFAOYSA-N 2 0 364.453 1.219 20 30 FDEDRP N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC3([NH3+])CCOCC3)CC2)cc1 ZINC000599930746 553176043 /nfs/dbraw/zinc/17/60/43/553176043.db2.gz OMNJNWVLQQJOPY-UHFFFAOYSA-N 2 0 371.485 1.283 20 30 FDEDRP C[NH+](C)CCOc1cccc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)c1 ZINC000600722660 553307182 /nfs/dbraw/zinc/30/71/82/553307182.db2.gz KCXIIEIERQWEMI-GOSISDBHSA-N 2 0 361.486 1.788 20 30 FDEDRP N#CC1(C[C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCOCC1 ZINC000600729251 553308255 /nfs/dbraw/zinc/30/82/55/553308255.db2.gz UHJAJJYLMGBSPD-FHWLQOOXSA-N 2 0 365.518 1.415 20 30 FDEDRP N#CC1(C[C@@H](O)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCOCC1 ZINC000600736839 553309287 /nfs/dbraw/zinc/30/92/87/553309287.db2.gz SWMUYUXVFJXBQA-VQTJNVASSA-N 2 0 373.497 1.414 20 30 FDEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000602672271 553620990 /nfs/dbraw/zinc/62/09/90/553620990.db2.gz YBTFFSDDWYLENK-QGZVFWFLSA-N 2 0 350.507 1.667 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)C(C)C ZINC000627371394 557375340 /nfs/dbraw/zinc/37/53/40/557375340.db2.gz DBAJPWFZERNYSE-DLBZAZTESA-N 2 0 362.518 1.202 20 30 FDEDRP CC[NH+]=C(NC[C@@H]1CCC[N@@H+](C(C)C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158614415 671981272 /nfs/dbraw/zinc/98/12/72/671981272.db2.gz ILEJSQMYWYDIQA-INIZCTEOSA-N 2 0 372.579 1.581 20 30 FDEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N[C@@H]1CCN(CCOC)C1 ZINC000261654706 672643901 /nfs/dbraw/zinc/64/39/01/672643901.db2.gz FIXBLNAJAFPWTG-YYIAUSFCSA-N 2 0 350.507 1.220 20 30 FDEDRP C[NH+]=C(NCc1nc(C)c(C)s1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000262328989 672770886 /nfs/dbraw/zinc/77/08/86/672770886.db2.gz AMSRZVBXXHACGN-HNNXBMFYSA-N 2 0 365.547 1.926 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1c(OC)cc(OC)cc1OC ZINC000264063942 672899706 /nfs/dbraw/zinc/89/97/06/672899706.db2.gz ALORXQFMBMPTFP-CYBMUJFWSA-N 2 0 350.463 1.601 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1cccs1)N1CCOCC1 ZINC000264085733 672900804 /nfs/dbraw/zinc/90/08/04/672900804.db2.gz JQNYZZNFHUQCCA-HOTGVXAUSA-N 2 0 365.547 1.510 20 30 FDEDRP CC(C)C[C@@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000303781448 676542892 /nfs/dbraw/zinc/54/28/92/676542892.db2.gz MGXPLWXNXKKQHB-HNNXBMFYSA-N 2 0 355.527 1.830 20 30 FDEDRP C[C@H](C[NH+]1CCCCC1)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000329651094 676648106 /nfs/dbraw/zinc/64/81/06/676648106.db2.gz CRJYMBHQUKPEGA-IAGOWNOFSA-N 2 0 352.523 1.865 20 30 FDEDRP C[NH+](C)C1(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCCC1 ZINC000330184795 676677306 /nfs/dbraw/zinc/67/73/06/676677306.db2.gz QYGROOWLKIDZAW-IAGOWNOFSA-N 2 0 352.523 1.742 20 30 FDEDRP CC(C)[N@@H+]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000330245789 676680722 /nfs/dbraw/zinc/68/07/22/676680722.db2.gz XWCKEGSLORTACO-MSOLQXFVSA-N 2 0 352.523 1.694 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+])C(C)C ZINC000417057682 679742117 /nfs/dbraw/zinc/74/21/17/679742117.db2.gz CEPLKAJHNUQBCR-FGTMMUONSA-N 2 0 352.523 1.833 20 30 FDEDRP C#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001075424244 777967271 /nfs/dbraw/zinc/96/72/71/777967271.db2.gz ICEYJRYCCNLIGY-QWFCFKBJSA-N 2 0 357.473 1.932 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(C)CC[N@H+](C)CC1)C(C)C ZINC000891940697 780307571 /nfs/dbraw/zinc/30/75/71/780307571.db2.gz RKXQPMCEVJXQHZ-IBGZPJMESA-N 2 0 365.566 1.574 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C[C@@H](CC)OC)C2)CC1 ZINC001105062485 795107967 /nfs/dbraw/zinc/10/79/67/795107967.db2.gz TXNZVJDGKXXULF-MISYRCLQSA-N 2 0 363.546 1.831 20 30 FDEDRP C=C(Br)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000978176619 805255189 /nfs/dbraw/zinc/25/51/89/805255189.db2.gz GYWSYTVJFKFBEO-RYPNDVFKSA-N 2 0 356.308 1.529 20 30 FDEDRP C[NH+]=C(NCc1ccnc(N2CC[NH+](C)CC2)c1)N(C)Cc1ccon1 ZINC000261717397 810213428 /nfs/dbraw/zinc/21/34/28/810213428.db2.gz IAOKDKMCVDIURV-UHFFFAOYSA-N 2 0 357.462 1.029 20 30 FDEDRP C[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000261935024 811347591 /nfs/dbraw/zinc/34/75/91/811347591.db2.gz CEYXMFCRXMDHTN-NVXWUHKLSA-N 2 0 367.501 1.552 20 30 FDEDRP C=CCCCCNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420199753 813533758 /nfs/dbraw/zinc/53/37/58/813533758.db2.gz FJELXCCBXGHQBF-UHFFFAOYSA-N 2 0 372.513 1.569 20 30 FDEDRP CN1CCN(C(=O)CCN2CCN(C(=O)NC3CCCCC3)CC2)CC1 ZINC000328669091 819526939 /nfs/dbraw/zinc/52/69/39/819526939.db2.gz FORWVOJGEKTTRZ-UHFFFAOYSA-N 2 0 365.522 1.015 20 30 FDEDRP C=C(Br)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075799878 820485023 /nfs/dbraw/zinc/48/50/23/820485023.db2.gz LLXCZZPZFRREHG-ARFHVFGLSA-N 2 0 368.319 1.770 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000521611620 821313541 /nfs/dbraw/zinc/31/35/41/821313541.db2.gz FYZPHONWJLUFKH-NRSPTQNISA-N 2 0 373.497 1.655 20 30 FDEDRP C[NH+]1CCC2(CCCN2C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000329084830 824568024 /nfs/dbraw/zinc/56/80/24/824568024.db2.gz UBOXNAHCJTTZRE-MSOLQXFVSA-N 2 0 364.534 1.838 20 30 FDEDRP CC[NH+]=C(NCCN1CCOC(C)(C)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262441227 826914078 /nfs/dbraw/zinc/91/40/78/826914078.db2.gz HQBMNNVTLJNRHX-SFHVURJKSA-N 2 0 365.566 1.623 20 30 FDEDRP CC[NH+]=C(NCc1oc2ccccc2c1C)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000262821948 831545116 /nfs/dbraw/zinc/54/51/16/831545116.db2.gz YPEYKSURNKJRPD-MRXNPFEDSA-N 2 0 355.486 1.796 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105669445 844220750 /nfs/dbraw/zinc/22/07/50/844220750.db2.gz RRFFUKMJBLEQHQ-QCFAMHMHSA-N 2 0 363.546 1.708 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3CC[NH+](C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001105659009 842500459 /nfs/dbraw/zinc/50/04/59/842500459.db2.gz LRKBGCXIVLCEIL-WERVVEIQSA-N 2 0 363.546 1.870 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@@H+](C)CCC)[C@@H]2C(C)C)C[C@H]1O ZINC001105668697 843831285 /nfs/dbraw/zinc/83/12/85/843831285.db2.gz MARUNIBXVUWWNT-LFGUQSLTSA-N 2 0 351.535 1.870 20 30 FDEDRP C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000669035482 860863989 /nfs/dbraw/zinc/86/39/89/860863989.db2.gz MOZKJZGBXXCMBL-SJORKVTESA-N 2 0 360.506 1.530 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C(F)(F)F ZINC001112110339 863727288 /nfs/dbraw/zinc/72/72/88/863727288.db2.gz KICWZLCWXPGXME-MGPQQGTHSA-N 2 0 351.388 1.669 20 30 FDEDRP C[NH+]=C(NCc1ccc(N2CC[NH+](C)CC2)nc1)N1CC[C@@]2(CCOC2)C1 ZINC000157989898 863962644 /nfs/dbraw/zinc/96/26/44/863962644.db2.gz YBIBMDUOUABUOY-HXUWFJFHSA-N 2 0 372.517 1.021 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](O)c3ccccc3)[C@@H]2C)CC1 ZINC001089059739 866387981 /nfs/dbraw/zinc/38/79/81/866387981.db2.gz YTVQRNTUFSPGKL-JRGCBEDISA-N 2 0 369.509 1.644 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC000913890202 869916748 /nfs/dbraw/zinc/91/67/48/869916748.db2.gz PAJOOTKSEGZLNJ-IBGZPJMESA-N 2 0 358.486 1.695 20 30 FDEDRP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495624 872516269 /nfs/dbraw/zinc/51/62/69/872516269.db2.gz KXDLKWQQLNWGMA-QZTJIDSGSA-N 2 0 367.534 1.657 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000917097669 882966538 /nfs/dbraw/zinc/96/65/38/882966538.db2.gz FLJFAOIPXOSNBH-SFHVURJKSA-N 2 0 350.507 1.579 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(OCC#N)cc3)C2)CC[N@@H+]1C ZINC001033094525 878903295 /nfs/dbraw/zinc/90/32/95/878903295.db2.gz IPQADJNXXQXCDG-IMFGXOCKSA-N 2 0 370.497 1.962 20 30 FDEDRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1 ZINC001106860198 881177850 /nfs/dbraw/zinc/17/78/50/881177850.db2.gz NJEBYBSCSLWEFH-AQNXPRMDSA-N 2 0 363.546 1.975 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CC1 ZINC000068309920 889093760 /nfs/dbraw/zinc/09/37/60/889093760.db2.gz WXHMTUVSHCSPBQ-UHFFFAOYSA-N 2 0 352.482 1.794 20 30 FDEDRP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000923412359 889185152 /nfs/dbraw/zinc/18/51/52/889185152.db2.gz XSNJXJBRKOGNER-ICSRJNTNSA-N 2 0 359.470 1.388 20 30 FDEDRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1csc(C#N)c1 ZINC000921926833 892992581 /nfs/dbraw/zinc/99/25/81/892992581.db2.gz AUAXRIUCFUJDDH-SFHVURJKSA-N 2 0 356.495 1.998 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCc4ccccc43)C[C@H]2O)CC1 ZINC001078227109 898427543 /nfs/dbraw/zinc/42/75/43/898427543.db2.gz JKSHHVFZALEULD-NJDAHSKKSA-N 2 0 367.493 1.180 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ccc3C)C[C@H]2O)CC1 ZINC001078227421 898430823 /nfs/dbraw/zinc/43/08/23/898430823.db2.gz YZBAJCMGSHBMIC-NHCUHLMSSA-N 2 0 369.509 1.310 20 30 FDEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001107037460 900018449 /nfs/dbraw/zinc/01/84/49/900018449.db2.gz IVVNUOQFMAXADN-LMMKCTJWSA-N 2 0 364.534 1.093 20 30 FDEDRP C#CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001079129900 901937933 /nfs/dbraw/zinc/93/79/33/901937933.db2.gz NCKZRNDBFWXIAO-XUVXKRRUSA-N 2 0 355.482 1.178 20 30 FDEDRP C=CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001079146992 901970749 /nfs/dbraw/zinc/97/07/49/901970749.db2.gz RAIGVYQHHXLKPI-XUVXKRRUSA-N 2 0 357.498 1.588 20 30 FDEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001079240991 902191973 /nfs/dbraw/zinc/19/19/73/902191973.db2.gz IWWPTBCVTZIDRF-IPMKNSEASA-N 2 0 359.514 1.432 20 30 FDEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079256946 902287018 /nfs/dbraw/zinc/28/70/18/902287018.db2.gz NPYXBGMFLNPGGZ-GBESFXJTSA-N 2 0 361.530 1.986 20 30 FDEDRP C=CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001107449667 904971197 /nfs/dbraw/zinc/97/11/97/904971197.db2.gz SRQZAWONJVTFFM-SQGPQFPESA-N 2 0 362.518 1.134 20 30 FDEDRP C=CCN1CC[NH+](C2CCC(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)CC1 ZINC000996775979 905350088 /nfs/dbraw/zinc/35/00/88/905350088.db2.gz KJTNAUYRNHAYHD-GHBBCFCZSA-N 2 0 362.562 1.948 20 30 FDEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)COC[C@H](C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107552165 905552419 /nfs/dbraw/zinc/55/24/19/905552419.db2.gz HSMXDSUCSDRAKH-QKNQBKEWSA-N 2 0 361.530 1.871 20 30 FDEDRP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH+]ccc3N(C)C)CCC[C@@H]12 ZINC001107608204 905953618 /nfs/dbraw/zinc/95/36/18/905953618.db2.gz GDOTXAPVEQNCQF-TZIWHRDSSA-N 2 0 370.497 1.772 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccccn4)[C@H]3C2)CC1 ZINC001085100426 920912987 /nfs/dbraw/zinc/91/29/87/920912987.db2.gz AZGRADCCVMVXFF-NQIIRXRSSA-N 2 0 366.509 1.850 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@@H](C)COC)C2)CC1 ZINC001112585082 931787772 /nfs/dbraw/zinc/78/77/72/931787772.db2.gz YQWZDWPMHASDSH-CUWPLCDZSA-N 2 0 361.530 1.585 20 30 FDEDRP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001086625038 938508899 /nfs/dbraw/zinc/50/88/99/938508899.db2.gz HTNJFOBCDIVSMR-FCHUYYIVSA-N 2 0 363.505 1.939 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130610265 939907695 /nfs/dbraw/zinc/90/76/95/939907695.db2.gz FJLKJRSZDRFGTC-JENIJYKNSA-N 2 0 357.502 1.202 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130611112 939908658 /nfs/dbraw/zinc/90/86/58/939908658.db2.gz YNNHLQIMVBHVMU-JENIJYKNSA-N 2 0 357.502 1.202 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001131017791 940438560 /nfs/dbraw/zinc/43/85/60/940438560.db2.gz LUIHQZHSWNEAEF-KZNAEPCWSA-N 2 0 359.518 1.755 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1c1cncn1C ZINC001131053852 940480669 /nfs/dbraw/zinc/48/06/69/940480669.db2.gz FAVLSQQSZZUDQZ-GUDVDZBRSA-N 2 0 371.529 1.449 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001131054036 940480832 /nfs/dbraw/zinc/48/08/32/940480832.db2.gz OGDJBDIZKJDYLC-WNRNVDISSA-N 2 0 357.502 1.058 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1c1cncn1C ZINC001131108188 940502659 /nfs/dbraw/zinc/50/26/59/940502659.db2.gz MIBHBNZBJHYXLY-IAGOWNOFSA-N 2 0 366.469 1.102 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131127890 940509700 /nfs/dbraw/zinc/50/97/00/940509700.db2.gz KIJDRNRUAURTQJ-QZTJIDSGSA-N 2 0 359.518 1.756 20 30 FDEDRP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000818980730 943369198 /nfs/dbraw/zinc/36/91/98/943369198.db2.gz JJCLSZVQRKVDNA-IBGZPJMESA-N 2 0 351.454 1.528 20 30 FDEDRP C#CC[NH+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)c2)C1 ZINC001091401030 951574418 /nfs/dbraw/zinc/57/44/18/951574418.db2.gz QVWHOYQVYSKRIH-ATZDWAIDSA-N 2 0 356.470 1.124 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1c1cnn(C)c1 ZINC001086983939 952998349 /nfs/dbraw/zinc/99/83/49/952998349.db2.gz PVBNDWQVYQVALH-ZWKOTPCHSA-N 2 0 357.502 1.366 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1c1cnn(C)c1 ZINC001086993065 953025461 /nfs/dbraw/zinc/02/54/61/953025461.db2.gz FNRPTLCEZDQCFL-NZSAHSFTSA-N 2 0 359.518 1.612 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1c1cnn(C)c1 ZINC001086981707 953033507 /nfs/dbraw/zinc/03/35/07/953033507.db2.gz YYYWYVIFHZIISP-IPMKNSEASA-N 2 0 359.518 1.755 20 30 FDEDRP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2 ZINC001092203100 954528741 /nfs/dbraw/zinc/52/87/41/954528741.db2.gz CSOAZYIASSZKMZ-CTNGQTDRSA-N 2 0 364.493 1.934 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092504657 955276919 /nfs/dbraw/zinc/27/69/19/955276919.db2.gz WANHWARFZFPRRT-LSBZLQRGSA-N 2 0 358.461 1.976 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092504730 955278100 /nfs/dbraw/zinc/27/81/00/955278100.db2.gz XWYFZZRSYHHVFF-POAQFYNOSA-N 2 0 370.497 1.867 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133014 957617346 /nfs/dbraw/zinc/61/73/46/957617346.db2.gz KXMOIYHZAFJMSH-VQIMIIECSA-N 2 0 352.482 1.838 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2C)CC1 ZINC001093223884 957852826 /nfs/dbraw/zinc/85/28/26/957852826.db2.gz IWNFCMJTLLYPGE-YLJYHZDGSA-N 2 0 361.530 1.442 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC001093673251 958516662 /nfs/dbraw/zinc/51/66/62/958516662.db2.gz NICVGAMOUMNFSI-YVWKXTFCSA-N 2 0 370.497 1.867 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F ZINC001094219468 960037808 /nfs/dbraw/zinc/03/78/08/960037808.db2.gz LTHOXFFJICXNRB-QGPMSJSTSA-N 2 0 358.461 1.833 20 30 FDEDRP C#C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCO1 ZINC000773260385 960115969 /nfs/dbraw/zinc/11/59/69/960115969.db2.gz QTSMVQSXJKACFJ-MOPGFXCFSA-N 2 0 371.485 1.074 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CC3CCOCC3)[C@H](C)C2)CC1 ZINC001094240190 960159136 /nfs/dbraw/zinc/15/91/36/960159136.db2.gz TWPIOEWKFRDYFK-YLJYHZDGSA-N 2 0 361.530 1.442 20 30 FDEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001178527402 964277905 /nfs/dbraw/zinc/27/79/05/964277905.db2.gz KVFBGLKIIQRESO-OKZBNKHCSA-N 2 0 364.534 1.121 20 30 FDEDRP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001194603987 970272126 /nfs/dbraw/zinc/27/21/26/970272126.db2.gz OTILTYZYYNMBGE-RTBURBONSA-N 2 0 369.469 1.789 20 30 FDEDRP C[NH+]1CCN(c2cc(Nc3c(C#N)cnn3C3CCOCC3)cc[nH+]2)CC1 ZINC001201656857 975116665 /nfs/dbraw/zinc/11/66/65/975116665.db2.gz BMVHHDAWPRXJEI-UHFFFAOYSA-N 2 0 367.457 1.997 20 30 FDEDRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000867959431 977143468 /nfs/dbraw/zinc/14/34/68/977143468.db2.gz ZFQKWXWYVLBIQP-ICSRJNTNSA-N 2 0 370.497 1.704 20 30 FDEDRP CC[NH+](CC)CCN(CCOC)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867960741 977144414 /nfs/dbraw/zinc/14/44/14/977144414.db2.gz PGAIDBPRUYLQBM-LJQANCHMSA-N 2 0 358.486 1.562 20 30 FDEDRP C[N@H+](CCCCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)C1CC1 ZINC000849116839 977329608 /nfs/dbraw/zinc/32/96/08/977329608.db2.gz YLKQOYFQEOCANQ-MRXNPFEDSA-N 2 0 365.522 1.741 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000881850619 980212045 /nfs/dbraw/zinc/21/20/45/980212045.db2.gz ZUEDUOINLKOXNU-UHFFFAOYSA-N 2 0 354.498 1.400 20 30 FDEDRP C#CC[N@H+](C)CCCNCc1c[nH]nc1CN1C(=O)c2ccccc2C1=O ZINC000883131315 981968987 /nfs/dbraw/zinc/96/89/87/981968987.db2.gz VTCGIMHPFAWRKA-UHFFFAOYSA-N 2 0 365.437 1.251 20 30 FDEDRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884406167 983141391 /nfs/dbraw/zinc/14/13/91/983141391.db2.gz NHWZIDQIKCQLRL-QHCGNWPDSA-N 2 0 366.509 1.901 20 30 FDEDRP C(#CCN1CC[C@H](C[NH+]2CCCC2)C1)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000364963661 989919393 /nfs/dbraw/zinc/91/93/93/989919393.db2.gz QVARZCDTCYGKAJ-SZPZYZBQSA-N 2 0 358.574 1.825 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000876719310 992830179 /nfs/dbraw/zinc/83/01/79/992830179.db2.gz IAXPINJADBJQTM-UYAOXDASSA-N 2 0 368.481 1.505 20 30 FDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000876777573 992903013 /nfs/dbraw/zinc/90/30/13/992903013.db2.gz RQCKJGQDUMKJJQ-KRWDZBQOSA-N 2 0 351.878 1.729 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000876946062 992977897 /nfs/dbraw/zinc/97/78/97/992977897.db2.gz FRRLEMNGZIMYNG-HNJRGHQBSA-N 2 0 368.481 1.490 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877357566 993242957 /nfs/dbraw/zinc/24/29/57/993242957.db2.gz XYQIDXRIFBTAMX-QEJZJMRPSA-N 2 0 352.360 1.341 20 30 FDEDRP C#CCN1C(=O)C[C@H]([N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1=O ZINC000887305887 997137211 /nfs/dbraw/zinc/13/72/11/997137211.db2.gz CGUWLWAAJGYJJJ-OTWHNJEPSA-N 2 0 351.450 1.201 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000264121582 997407097 /nfs/dbraw/zinc/40/70/97/997407097.db2.gz VBMBDCGIABEQLO-UHFFFAOYSA-N 2 0 361.490 1.773 20 30 FDEDRP C[NH+]1CCC([C@@H]2CC[N@@H+]([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C2)CC1 ZINC000270032258 999502438 /nfs/dbraw/zinc/50/24/38/999502438.db2.gz DRAWZFAQYIRRPA-IEBWSBKVSA-N 2 0 366.465 1.854 20 30 FDEDRP C#Cc1ccc(NC(=O)CC[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000929979494 1002694162 /nfs/dbraw/zinc/69/41/62/1002694162.db2.gz FICLDNRBHBQCCV-FQEVSTJZSA-N 2 0 354.498 1.708 20 30 FDEDRP C[NH+](C)CC#CCNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000932422729 1004950745 /nfs/dbraw/zinc/95/07/45/1004950745.db2.gz YOTWJVILSFISRO-LJQANCHMSA-N 2 0 355.486 1.658 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](CC#N)C(F)(F)F ZINC000932916735 1005243110 /nfs/dbraw/zinc/24/31/10/1005243110.db2.gz VHZKNEYQFDTFSR-KGLIPLIRSA-N 2 0 363.428 1.888 20 30 FDEDRP CCOCCCNC(=[NH2+])NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000304745025 1010477011 /nfs/dbraw/zinc/47/70/11/1010477011.db2.gz DYBGCRAEUVXUPY-UHFFFAOYSA-N 2 0 365.497 1.799 20 30 FDEDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)COc3ccccc3C#N)C2)CC1 ZINC000528388992 539755400 /nfs/dbraw/zinc/75/54/00/539755400.db2.gz KJSAFZCUMUAXSL-WOJBJXKFSA-N 2 0 372.513 1.398 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000553361798 543619143 /nfs/dbraw/zinc/61/91/43/543619143.db2.gz RVAZJUFTNMPCEZ-QGZVFWFLSA-N 2 0 362.518 1.276 20 30 FDEDRP C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371301443 260687881 /nfs/dbraw/zinc/68/78/81/260687881.db2.gz FVFYAEVYCUQTMB-XLIONFOSSA-N 2 0 369.513 1.845 20 30 FDEDRP C[NH+]1CCC(CCNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)CC1 ZINC000089120648 524476350 /nfs/dbraw/zinc/47/63/50/524476350.db2.gz RQBSLMBWYFPZDQ-MRXNPFEDSA-N 2 0 365.522 1.599 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000158655734 524504943 /nfs/dbraw/zinc/50/49/43/524504943.db2.gz TYUNRJYRXVFACJ-RTWAWAEBSA-N 2 0 369.509 1.331 20 30 FDEDRP C[NH+]=C(NCc1nncn1-c1ccccc1)NC1CC[NH+](C(C)C)CC1 ZINC000114091138 524740961 /nfs/dbraw/zinc/74/09/61/524740961.db2.gz NPXSNWVVAOJZRK-UHFFFAOYSA-N 2 0 355.490 1.805 20 30 FDEDRP COC[C@@H](C)NC(=[NH2+])NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000104170823 525397963 /nfs/dbraw/zinc/39/79/63/525397963.db2.gz ICHQFHFTIKXBBC-GOSISDBHSA-N 2 0 361.534 1.836 20 30 FDEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181631142 525883109 /nfs/dbraw/zinc/88/31/09/525883109.db2.gz OFMWZKRBZABWIJ-CVEARBPZSA-N 2 0 360.477 1.756 20 30 FDEDRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCC(=O)Nc3sccc3C#N)C2)CC1 ZINC000109025722 526061115 /nfs/dbraw/zinc/06/11/15/526061115.db2.gz KMSNTPXQVBPQOO-MRXNPFEDSA-N 2 0 361.515 1.660 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000171709446 526088116 /nfs/dbraw/zinc/08/81/16/526088116.db2.gz XUBPXYFILPBIQI-UHFFFAOYSA-N 2 0 357.502 1.996 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C)C(C)C ZINC000236671084 537595073 /nfs/dbraw/zinc/59/50/73/537595073.db2.gz XTCPQUHRTSIELW-SFHVURJKSA-N 2 0 374.533 1.939 20 30 FDEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000569450051 548921256 /nfs/dbraw/zinc/92/12/56/548921256.db2.gz YCPBCMIWJXPZMX-LJQANCHMSA-N 2 0 361.530 1.770 20 30 FDEDRP N#CCCC[C@@H]([NH3+])C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000583022472 551292589 /nfs/dbraw/zinc/29/25/89/551292589.db2.gz NFZDRHGBPSJUKC-LJQANCHMSA-N 2 0 357.502 1.332 20 30 FDEDRP COCC[NH2+]CCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593713985 552180874 /nfs/dbraw/zinc/18/08/74/552180874.db2.gz GLZPLYHZTIKFLZ-UHFFFAOYSA-N 2 0 359.474 1.058 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@@]4(CC[NH2+]C4)C3)CC2)c1 ZINC000593719367 552182104 /nfs/dbraw/zinc/18/21/04/552182104.db2.gz CMHFJUGCSYAASA-OAQYLSRUSA-N 2 0 367.497 1.918 20 30 FDEDRP COC1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[NH2+]CC1 ZINC000593918235 552224994 /nfs/dbraw/zinc/22/49/94/552224994.db2.gz BJEFKFCHGDHSPG-UHFFFAOYSA-N 2 0 356.470 1.407 20 30 FDEDRP N#CCCCC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000594439986 552311123 /nfs/dbraw/zinc/31/11/23/552311123.db2.gz XCYXVZXAZUEGOC-IBGZPJMESA-N 2 0 358.486 1.671 20 30 FDEDRP N#Cc1ccc([C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C(N)=O)cc1 ZINC000594721094 552363882 /nfs/dbraw/zinc/36/38/82/552363882.db2.gz LVXDFQUWMODUBC-HXUWFJFHSA-N 2 0 363.465 1.981 20 30 FDEDRP C[C@@]1(C#N)CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000595478874 552569865 /nfs/dbraw/zinc/56/98/65/552569865.db2.gz HCWRQMHSVAFEJU-IBGZPJMESA-N 2 0 356.474 1.539 20 30 FDEDRP C[C@H]1CC[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C[NH2+]1 ZINC000599942224 553180384 /nfs/dbraw/zinc/18/03/84/553180384.db2.gz XJSHCLTZAWDTRI-LPHOPBHVSA-N 2 0 355.486 1.916 20 30 FDEDRP N#CC1(C[C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCOCC1 ZINC000600729253 553308383 /nfs/dbraw/zinc/30/83/83/553308383.db2.gz UHJAJJYLMGBSPD-IPMKNSEASA-N 2 0 365.518 1.415 20 30 FDEDRP C[NH+](C)CCn1c2cc(C(=O)NC3(C#N)CC[NH+](C)CC3)ccc2[nH]c1=O ZINC000602097081 553518758 /nfs/dbraw/zinc/51/87/58/553518758.db2.gz NGKIYDYCBRSNOO-UHFFFAOYSA-N 2 0 370.457 1.021 20 30 FDEDRP N#C[C@@]1(F)CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000615537479 555209708 /nfs/dbraw/zinc/20/97/08/555209708.db2.gz ZGYYSKWMUXTAGF-SFHVURJKSA-N 2 0 360.437 1.241 20 30 FDEDRP CCC[N@H+](CC)CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089120826 671491947 /nfs/dbraw/zinc/49/19/47/671491947.db2.gz ASWUSUOTKZJGSU-OAHLLOKOSA-N 2 0 353.511 1.599 20 30 FDEDRP C[NH+]=C(NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)NCCN1CCOCC1 ZINC000104170132 671594695 /nfs/dbraw/zinc/59/46/95/671594695.db2.gz MMHOGXKWNJFELU-QZTJIDSGSA-N 2 0 353.555 1.242 20 30 FDEDRP C[NH+]=C(NC[C@H](C)N1CC[NH+](C)CC1)N1CCN(c2cccs2)CC1 ZINC000261943770 672698773 /nfs/dbraw/zinc/69/87/73/672698773.db2.gz FFEDSWKWAPABLL-INIZCTEOSA-N 2 0 364.563 1.081 20 30 FDEDRP C[NH+]=C(NC[C@H]1CCC[N@H+](CC(C)C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261943292 672698893 /nfs/dbraw/zinc/69/88/93/672698893.db2.gz FCKJGWNZGVATJD-MRXNPFEDSA-N 2 0 372.579 1.439 20 30 FDEDRP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N(C)Cc1cc(Cl)cn1C ZINC000261963501 672703504 /nfs/dbraw/zinc/70/35/04/672703504.db2.gz KWHVAFQBMCLPJU-UHFFFAOYSA-N 2 0 355.914 1.797 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1c(OC)cc(OC)cc1OC ZINC000264063947 672899767 /nfs/dbraw/zinc/89/97/67/672899767.db2.gz ALORXQFMBMPTFP-ZDUSSCGKSA-N 2 0 350.463 1.601 20 30 FDEDRP CCC(CC)[C@@H](CNC(NCCN1CCOCC1)=[NH+]C)[NH+]1CCCC1 ZINC000303775370 676542802 /nfs/dbraw/zinc/54/28/02/676542802.db2.gz GTZODKQUBCWOFY-GOSISDBHSA-N 2 0 353.555 1.384 20 30 FDEDRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000329776421 676655056 /nfs/dbraw/zinc/65/50/56/676655056.db2.gz OCIOQPNUPOLPIC-SJORKVTESA-N 2 0 352.523 1.864 20 30 FDEDRP C[NH+]1CCC(CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000330179686 676676856 /nfs/dbraw/zinc/67/68/56/676676856.db2.gz MQCMAGCIEJAADU-MSOLQXFVSA-N 2 0 352.523 1.600 20 30 FDEDRP CCN(C[C@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000409591212 678865252 /nfs/dbraw/zinc/86/52/52/678865252.db2.gz IYMRUCQABVTCSQ-SJORKVTESA-N 2 0 373.567 1.061 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC([NH2+]C)CC1)C(C)C ZINC000419566298 680278775 /nfs/dbraw/zinc/27/87/75/680278775.db2.gz GDEIYGJGRSVNOD-QGZVFWFLSA-N 2 0 350.507 1.012 20 30 FDEDRP CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#CCOC)C1)[NH+](CC)CC ZINC001112528969 805932583 /nfs/dbraw/zinc/93/25/83/805932583.db2.gz YNFNTWGTXYVZHN-ZJOUEHCJSA-N 2 0 363.546 1.975 20 30 FDEDRP C=CC[C@]1(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)CCC[NH2+]1 ZINC000662757722 803073366 /nfs/dbraw/zinc/07/33/66/803073366.db2.gz LSBJRJBCTGDZCF-OAQYLSRUSA-N 2 0 356.514 1.749 20 30 FDEDRP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000978184349 805282868 /nfs/dbraw/zinc/28/28/68/805282868.db2.gz VIBNJBKAPHLAJW-UEDWAMCQSA-N 2 0 359.514 1.051 20 30 FDEDRP C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261950657 811351400 /nfs/dbraw/zinc/35/14/00/811351400.db2.gz HFULITKRKZSQSN-VQIMIIECSA-N 2 0 371.529 1.465 20 30 FDEDRP C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261994325 811362825 /nfs/dbraw/zinc/36/28/25/811362825.db2.gz SAVUZLJHBHRCIL-BEFAXECRSA-N 2 0 369.513 1.219 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000419565167 812021563 /nfs/dbraw/zinc/02/15/63/812021563.db2.gz DOJWXHIUIINFMJ-SQNIBIBYSA-N 2 0 362.518 1.154 20 30 FDEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112155788 819892091 /nfs/dbraw/zinc/89/20/91/819892091.db2.gz KNAORWHOYNDJOR-ZIAGYGMSSA-N 2 0 351.413 1.510 20 30 FDEDRP Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCC[NH+]1C ZINC000329020566 824534883 /nfs/dbraw/zinc/53/48/83/824534883.db2.gz HSQIULRNWAZKSL-MJQMVNBJSA-N 2 0 374.533 1.933 20 30 FDEDRP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)C[C@H]1[NH+](C)C ZINC000329317504 824732320 /nfs/dbraw/zinc/73/23/20/824732320.db2.gz HWAVZQJQDMCKFW-CYGHRXIMSA-N 2 0 362.522 1.599 20 30 FDEDRP C[NH+]1CCC(C)(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000329349081 824749203 /nfs/dbraw/zinc/74/92/03/824749203.db2.gz SMADLEJWDKBWKW-MSOLQXFVSA-N 2 0 366.550 1.990 20 30 FDEDRP Cc1nn(C)c(-n2ccnc2C)c1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000329881411 825520925 /nfs/dbraw/zinc/52/09/25/825520925.db2.gz OMUATAPRAKNUGH-INIZCTEOSA-N 2 0 374.489 1.884 20 30 FDEDRP C#Cc1cccc(NC(=O)CNC(=[NH+]C)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000262470981 827154728 /nfs/dbraw/zinc/15/47/28/827154728.db2.gz OXCMAWXGHDFZQD-IBGZPJMESA-N 2 0 367.497 1.742 20 30 FDEDRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccc(F)c(C#N)c4)CC[C@@H]3C2)C1 ZINC001088199378 827430494 /nfs/dbraw/zinc/43/04/94/827430494.db2.gz LRYYEFDCVFMJPQ-LMMKCTJWSA-N 2 0 370.472 1.929 20 30 FDEDRP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105669206 844146687 /nfs/dbraw/zinc/14/66/87/844146687.db2.gz PUMOOUAAQZAEFD-LFGUQSLTSA-N 2 0 351.535 1.870 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC(CC)([NH+]3CCC3)CC2)CC1 ZINC000897675216 840218531 /nfs/dbraw/zinc/21/85/31/840218531.db2.gz VAFKQZAKACMRNG-UHFFFAOYSA-N 2 0 362.518 1.230 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)[N@@H+](C)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105642099 842302876 /nfs/dbraw/zinc/30/28/76/842302876.db2.gz HQNHDZKINYJOFP-DCXXXQMHSA-N 2 0 363.546 1.706 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105652431 842453498 /nfs/dbraw/zinc/45/34/98/842453498.db2.gz MMPCCFJRZHQQPQ-IKVWTGGYSA-N 2 0 361.530 1.318 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@@H+](C)CCC)[C@H]2C(C)C)C[C@H]1O ZINC001105668695 843830426 /nfs/dbraw/zinc/83/04/26/843830426.db2.gz MARUNIBXVUWWNT-IZBJGVDFSA-N 2 0 351.535 1.870 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@@H+](C)CCC)[C@H]2C(C)C)C[C@H]1O ZINC001105668696 843830869 /nfs/dbraw/zinc/83/08/69/843830869.db2.gz MARUNIBXVUWWNT-JYBIWHBTSA-N 2 0 351.535 1.870 20 30 FDEDRP N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)cc1 ZINC001077444061 861577131 /nfs/dbraw/zinc/57/71/31/861577131.db2.gz JAKZUIHSASSTEF-AQNXPRMDSA-N 2 0 368.481 1.094 20 30 FDEDRP C[N@@H+]1CCC[C@@](O)(CC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000911921423 859110855 /nfs/dbraw/zinc/11/08/55/859110855.db2.gz IUXAXHPQRUELHA-OAQYLSRUSA-N 2 0 370.497 1.486 20 30 FDEDRP C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC000669032785 860835395 /nfs/dbraw/zinc/83/53/95/860835395.db2.gz VWUGSTIUKIVUSG-KURKYZTESA-N 2 0 374.533 1.920 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cccnc3C)[C@@H]2C)CC1 ZINC001089059999 866391151 /nfs/dbraw/zinc/39/11/51/866391151.db2.gz MTDFWQZGAOIQQS-XLIONFOSSA-N 2 0 354.498 1.814 20 30 FDEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001106316363 874760604 /nfs/dbraw/zinc/76/06/04/874760604.db2.gz RJXUVGUBGAJUOM-QZTJIDSGSA-N 2 0 351.535 1.995 20 30 FDEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3cnc(C)n3C2)C[C@H]1C ZINC001106590887 876057005 /nfs/dbraw/zinc/05/70/05/876057005.db2.gz CYKIFINKDOARQK-BPQIPLTHSA-N 2 0 358.486 1.088 20 30 FDEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001106730750 877225897 /nfs/dbraw/zinc/22/58/97/877225897.db2.gz NQUSAKHKOPNLFT-KZNAEPCWSA-N 2 0 364.534 1.236 20 30 FDEDRP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1)C(C)C ZINC001106778390 877787120 /nfs/dbraw/zinc/78/71/20/877787120.db2.gz JBYRZHSBRBTWHB-GUDVDZBRSA-N 2 0 351.535 1.687 20 30 FDEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001106860179 881177688 /nfs/dbraw/zinc/17/76/88/881177688.db2.gz MQARSHPIMSTDBQ-YLJYHZDGSA-N 2 0 361.530 1.442 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000923393346 889104616 /nfs/dbraw/zinc/10/46/16/889104616.db2.gz PACDVOYSKJEGAU-CUDHKJQZSA-N 2 0 359.470 1.659 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1 ZINC001106980842 897430802 /nfs/dbraw/zinc/43/08/02/897430802.db2.gz BZBLUHCCIACJHJ-BHIYHBOVSA-N 2 0 357.473 1.813 20 30 FDEDRP C=CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001079138157 902018382 /nfs/dbraw/zinc/01/83/82/902018382.db2.gz QPPNVRRSSKITQU-WOJBJXKFSA-N 2 0 369.509 1.875 20 30 FDEDRP C=CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259707 902296142 /nfs/dbraw/zinc/29/61/42/902296142.db2.gz PKWRZCZCZXGREO-ZWKOTPCHSA-N 2 0 361.530 1.844 20 30 FDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]3COC[C@@H]32)CC1 ZINC001079270579 902331273 /nfs/dbraw/zinc/33/12/73/902331273.db2.gz ZUFWCUXLYRXJKM-ZWKOTPCHSA-N 2 0 359.514 1.598 20 30 FDEDRP C=C(C)CN1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC000996774818 905280230 /nfs/dbraw/zinc/28/02/30/905280230.db2.gz AGZGGGPREBYCBY-YNIZLOQISA-N 2 0 362.562 1.948 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@H]2C)CC1 ZINC001080997876 906974374 /nfs/dbraw/zinc/97/43/74/906974374.db2.gz NLUGJCRZLSPMTE-DUXKGJEZSA-N 2 0 369.509 1.502 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ccccc3)C[C@H]2OC)CC1 ZINC001082383294 907376269 /nfs/dbraw/zinc/37/62/69/907376269.db2.gz QFVXHSFKLPHOOA-IOMROCGXSA-N 2 0 369.509 1.908 20 30 FDEDRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)cc1C#N ZINC001082719365 909814933 /nfs/dbraw/zinc/81/49/33/909814933.db2.gz CQJFVXVTYUXJCY-DNVCBOLYSA-N 2 0 370.497 1.845 20 30 FDEDRP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CC1 ZINC001084629035 915748696 /nfs/dbraw/zinc/74/86/96/915748696.db2.gz AVAXNYWXJKTNMI-WOJBJXKFSA-N 2 0 352.482 1.933 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cncn2C)CC1 ZINC001085432496 924678944 /nfs/dbraw/zinc/67/89/44/924678944.db2.gz APSBEDJVDZBEQZ-RTBURBONSA-N 2 0 357.502 1.282 20 30 FDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001086088644 925943202 /nfs/dbraw/zinc/94/32/02/925943202.db2.gz JOSQXVSLVHLQDT-SPUZQDLCSA-N 2 0 369.937 1.970 20 30 FDEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370481 929359059 /nfs/dbraw/zinc/35/90/59/929359059.db2.gz XAVXBOYOOYLFOL-MSOLQXFVSA-N 2 0 364.538 1.932 20 30 FDEDRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1 ZINC001109670001 930101269 /nfs/dbraw/zinc/10/12/69/930101269.db2.gz DXQPAFKPMKXWJL-NEWSRXKRSA-N 2 0 356.470 1.762 20 30 FDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1 ZINC001129982382 938597289 /nfs/dbraw/zinc/59/72/89/938597289.db2.gz FNPUCHLVPNTOJI-ZACQAIPSSA-N 2 0 360.506 1.316 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001130006019 938623469 /nfs/dbraw/zinc/62/34/69/938623469.db2.gz OWJGQWHRWSXMNR-KURKYZTESA-N 2 0 362.522 1.706 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@@H]1n1ccnn1 ZINC001130104903 938685322 /nfs/dbraw/zinc/68/53/22/938685322.db2.gz AKPJXSRMWCCSOT-AOIWGVFYSA-N 2 0 358.490 1.072 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130137132 938710115 /nfs/dbraw/zinc/71/01/15/938710115.db2.gz KUVUQMZVJAJACM-MOPGFXCFSA-N 2 0 366.469 1.018 20 30 FDEDRP C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@@H+](C)CCC)CC1 ZINC001130305271 938803671 /nfs/dbraw/zinc/80/36/71/938803671.db2.gz QMHQINMRDZZJLF-XLIONFOSSA-N 2 0 364.534 1.380 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130632664 939935920 /nfs/dbraw/zinc/93/59/20/939935920.db2.gz LSJOCZDNMPSXMN-FUHWJXTLSA-N 2 0 357.502 1.202 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130672354 939971542 /nfs/dbraw/zinc/97/15/42/939971542.db2.gz OIBRTAMPNRECRO-JENIJYKNSA-N 2 0 359.518 1.612 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130687579 939977100 /nfs/dbraw/zinc/97/71/00/939977100.db2.gz HASSQROURBBHAS-DFQSSKMNSA-N 2 0 371.529 1.590 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1c1cncn1C ZINC001131003482 940429661 /nfs/dbraw/zinc/42/96/61/940429661.db2.gz GNRWXWCSBAIXEA-KURKYZTESA-N 2 0 359.518 1.755 20 30 FDEDRP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001131609012 940789095 /nfs/dbraw/zinc/78/90/95/940789095.db2.gz UZVHOVORIHJYJL-AABGKKOBSA-N 2 0 361.530 1.870 20 30 FDEDRP C#CCNC(=O)C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775664533 971062713 /nfs/dbraw/zinc/06/27/13/971062713.db2.gz XGNRGNXNXRNXIQ-UHFFFAOYSA-N 2 0 354.498 1.400 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccc(OC)cc1 ZINC001090884161 947636125 /nfs/dbraw/zinc/63/61/25/947636125.db2.gz AKUMCTJBWPCCMS-LSTHTHJFSA-N 2 0 355.482 1.554 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccc(OC)cc1 ZINC001090884160 947636405 /nfs/dbraw/zinc/63/64/05/947636405.db2.gz AKUMCTJBWPCCMS-FFZOFVMBSA-N 2 0 355.482 1.554 20 30 FDEDRP COC(=O)[C@@H](C[NH3+])Cc1ccc(NC(=[NH2+])c2ccc(C(N)=O)cc2)cc1 ZINC001171258572 951725825 /nfs/dbraw/zinc/72/58/25/951725825.db2.gz FAPKKRHCVWROFT-OAHLLOKOSA-N 2 0 354.410 1.113 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001086982229 952994865 /nfs/dbraw/zinc/99/48/65/952994865.db2.gz AAMRLQIJQXHRBS-ZCNNSNEGSA-N 2 0 369.513 1.344 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1c1cnn(C)c1 ZINC001087000919 953053082 /nfs/dbraw/zinc/05/30/82/953053082.db2.gz VLHVXEIWKMPDII-NZSAHSFTSA-N 2 0 357.502 1.202 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4cnn(C)c4)C[C@@]3(C)C2)CC1 ZINC001092299787 954747341 /nfs/dbraw/zinc/74/73/41/954747341.db2.gz INEBCEKLLZPTQO-CTNGQTDRSA-N 2 0 369.513 1.046 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3cnc(C)nc3)C[C@H]2C)CC1 ZINC001093223619 957853617 /nfs/dbraw/zinc/85/36/17/957853617.db2.gz DALYFZQCXILLTP-OXQOHEQNSA-N 2 0 369.513 1.314 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC001093223614 957854093 /nfs/dbraw/zinc/85/40/93/957854093.db2.gz CPHXEWHJDWDZMD-RLLQIKCJSA-N 2 0 361.530 1.585 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@H]2C(C)C)C[C@H]1O ZINC001093465560 958204395 /nfs/dbraw/zinc/20/43/95/958204395.db2.gz KNJUOYMJXUCBLY-PLOVASNDSA-N 2 0 361.530 1.318 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCC2CCC2)CC1 ZINC001110147252 958336511 /nfs/dbraw/zinc/33/65/11/958336511.db2.gz SOBCQIBJBNFVIW-HKBOAZHASA-N 2 0 373.541 1.870 20 30 FDEDRP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C)cc1C#N ZINC001093673241 958517044 /nfs/dbraw/zinc/51/70/44/958517044.db2.gz MZOXSNWGAMMKKW-ATZDWAIDSA-N 2 0 370.497 1.845 20 30 FDEDRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001094169610 959962620 /nfs/dbraw/zinc/96/26/20/959962620.db2.gz QWLWXMORFMXFFE-CRAIPNDOSA-N 2 0 370.472 1.977 20 30 FDEDRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N ZINC001094221012 960046406 /nfs/dbraw/zinc/04/64/06/960046406.db2.gz KOYUBQPMUMAVOJ-CRAIPNDOSA-N 2 0 358.461 1.977 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3coc(C)n3)[C@H](C)C2)CC1 ZINC001094239902 960158494 /nfs/dbraw/zinc/15/84/94/960158494.db2.gz JCTBYYDIHBDBJS-CRAIPNDOSA-N 2 0 358.486 1.512 20 30 FDEDRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172969145 961856351 /nfs/dbraw/zinc/85/63/51/961856351.db2.gz WIBNKGJGOVUNAA-SJORKVTESA-N 2 0 365.522 1.505 20 30 FDEDRP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189870682 967320603 /nfs/dbraw/zinc/32/06/03/967320603.db2.gz CWZJRQQMBXLSOW-RCCFBDPRSA-N 2 0 362.518 1.038 20 30 FDEDRP C=CCN1CC[C@H]([NH+]2C[C@@H]3CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]3C2)C1=O ZINC001189913753 967376209 /nfs/dbraw/zinc/37/62/09/967376209.db2.gz ZQKGDADABBRVAO-OKZBNKHCSA-N 2 0 362.518 1.038 20 30 FDEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000852828388 967639301 /nfs/dbraw/zinc/63/93/01/967639301.db2.gz WXOOQLIVCHDMNB-YSIASYRMSA-N 2 0 364.449 1.363 20 30 FDEDRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C#CC2CC[NH2+]CC2)cc1 ZINC000852906320 967698530 /nfs/dbraw/zinc/69/85/30/967698530.db2.gz BEZABGVNFPCCIT-PMACEKPBSA-N 2 0 355.482 1.650 20 30 FDEDRP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001194087179 970009391 /nfs/dbraw/zinc/00/93/91/970009391.db2.gz ZQLMXERWKDADDQ-QZTJIDSGSA-N 2 0 351.535 1.994 20 30 FDEDRP C[N@H+](CCCCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)C1CC1 ZINC000849116837 977329551 /nfs/dbraw/zinc/32/95/51/977329551.db2.gz YLKQOYFQEOCANQ-INIZCTEOSA-N 2 0 365.522 1.741 20 30 FDEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883586675 982287026 /nfs/dbraw/zinc/28/70/26/982287026.db2.gz QDNFTGKIBVEKCE-ZTFGCOKTSA-N 2 0 354.458 1.204 20 30 FDEDRP C[NH+]1CCN(Cc2cccc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)c2)CC1 ZINC000884234801 983010977 /nfs/dbraw/zinc/01/09/77/983010977.db2.gz FEDSBVKNMZUCBD-IDYZSHNDSA-N 2 0 367.497 1.512 20 30 FDEDRP C#CCN1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000884308311 983072850 /nfs/dbraw/zinc/07/28/50/983072850.db2.gz LRQSVVBYNBTSOW-PMACEKPBSA-N 2 0 354.498 1.905 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884314376 983076321 /nfs/dbraw/zinc/07/63/21/983076321.db2.gz HSRMXCDFSXOEBM-LIEGOMBTSA-N 2 0 352.482 1.762 20 30 FDEDRP C#CCN1CCC[C@H](NC(=O)NCc2cc(C)nc(N3CCCC3)c2)C1 ZINC000884361147 983114163 /nfs/dbraw/zinc/11/41/63/983114163.db2.gz NDYZMUSOAILKFI-SFHVURJKSA-N 2 0 355.486 1.887 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)CSCc2ccc(C#N)cc2)C[C@H]1C[NH+](C)C ZINC000870023780 985533335 /nfs/dbraw/zinc/53/33/35/985533335.db2.gz MVROLVBOPXZJIR-RTBURBONSA-N 2 0 374.554 1.989 20 30 FDEDRP C=CCOc1ccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1OC ZINC000872255119 987546230 /nfs/dbraw/zinc/54/62/30/987546230.db2.gz PVAFQAVQNSURGG-FCEWJHQRSA-N 2 0 373.453 1.627 20 30 FDEDRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876775175 992900401 /nfs/dbraw/zinc/90/04/01/992900401.db2.gz QBGCANQLWPOFOQ-XLIONFOSSA-N 2 0 352.482 1.935 20 30 FDEDRP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000968861215 1015772141 /nfs/dbraw/zinc/77/21/41/1015772141.db2.gz JWZIZUDDHWMHNW-AQNXPRMDSA-N 2 0 361.530 1.727 20 30 FDEDRP C[NH+](Cc1cc(C#N)cc(C[N@@H+](C)CC2(CO)CC2)c1)CC1(CO)CC1 ZINC000878482626 993977579 /nfs/dbraw/zinc/97/75/79/993977579.db2.gz VJIGDNWPRMJSRM-UHFFFAOYSA-N 2 0 357.498 1.967 20 30 FDEDRP COCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)CC1CC[NH+](C)CC1 ZINC000879123633 994557122 /nfs/dbraw/zinc/55/71/22/994557122.db2.gz XXZIFIFHPDUODY-UHFFFAOYSA-N 2 0 350.507 1.619 20 30 FDEDRP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCN1c1cc[nH+]cc1 ZINC000880264467 995767743 /nfs/dbraw/zinc/76/77/43/995767743.db2.gz WVPPFBPYDCRKNU-VQIMIIECSA-N 2 0 352.438 1.904 20 30 FDEDRP C#CCN(C(=O)N[C@H](CC[NH+](C)C)c1cccnc1)C1CC[NH+](C)CC1 ZINC000925918207 995826088 /nfs/dbraw/zinc/82/60/88/995826088.db2.gz KVNATIQLOAXSCP-LJQANCHMSA-N 2 0 357.502 1.813 20 30 FDEDRP Cc1cc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)nn1CCC#N ZINC000926081392 995912519 /nfs/dbraw/zinc/91/25/19/995912519.db2.gz GBSPWFGPQMTPRU-CALCHBBNSA-N 2 0 371.489 1.538 20 30 FDEDRP C[C@@H]1CCC[N@H+](CCCCNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000264108379 997402877 /nfs/dbraw/zinc/40/28/77/997402877.db2.gz PZKAZLWISFTWTB-QGZVFWFLSA-N 2 0 359.522 1.425 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000284066878 999775977 /nfs/dbraw/zinc/77/59/77/999775977.db2.gz LCLJDMWWYJXYFW-UHFFFAOYSA-N 2 0 358.486 1.131 20 30 FDEDRP C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000930137265 1002862535 /nfs/dbraw/zinc/86/25/35/1002862535.db2.gz QVURRWFAKWXBOS-GHTZIAJQSA-N 2 0 368.525 1.954 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652146930 1016768522 /nfs/dbraw/zinc/76/85/22/1016768522.db2.gz BYHRNEQSBCPPEN-LZLYRXPVSA-N 2 0 350.507 1.565 20 30 FDEDRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CC1 ZINC000303898907 1009683025 /nfs/dbraw/zinc/68/30/25/1009683025.db2.gz RJKKLMPHDJIBNB-HNNXBMFYSA-N 2 0 361.490 1.601 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000303909948 1009688731 /nfs/dbraw/zinc/68/87/31/1009688731.db2.gz YMUYYWHBNBGHAW-SFHVURJKSA-N 3 0 373.549 1.112 20 30 FDEDRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=[NH2+])NCC3CCC3)c2)C1 ZINC000304762357 1010489720 /nfs/dbraw/zinc/48/97/20/1010489720.db2.gz VPGFZXRUIPWJDA-SFHVURJKSA-N 2 0 357.502 1.588 20 30 FDEDRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@@H]2CN(C)Cc2ccccc2C#N)O1 ZINC000960715572 1011237914 /nfs/dbraw/zinc/23/79/14/1011237914.db2.gz DDKPCFGEQBAIEP-NSISKUIASA-N 2 0 370.497 1.700 20 30 FDEDRP N#CCCOCC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000555414994 543954081 /nfs/dbraw/zinc/95/40/81/543954081.db2.gz VOJPCCXYQLOUOU-UHFFFAOYSA-N 2 0 350.507 1.621 20 30 FDEDRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000333833889 259385817 /nfs/dbraw/zinc/38/58/17/259385817.db2.gz MZALSWPTDIAKLJ-QFBILLFUSA-N 2 0 355.486 1.774 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC000074130039 522687303 /nfs/dbraw/zinc/68/73/03/522687303.db2.gz AVQXHGWVQHZIBT-GOSISDBHSA-N 2 0 365.566 1.600 20 30 FDEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000088818741 524474997 /nfs/dbraw/zinc/47/49/97/524474997.db2.gz FQBNRFNMPBFMJM-LJQANCHMSA-N 2 0 369.517 1.125 20 30 FDEDRP CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000123171145 524695062 /nfs/dbraw/zinc/69/50/62/524695062.db2.gz ARFCKCROCUXVME-JKSUJKDBSA-N 2 0 366.531 1.546 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000176154496 525058906 /nfs/dbraw/zinc/05/89/06/525058906.db2.gz DTZXZZZGDHDJBE-QGZVFWFLSA-N 2 0 350.507 1.391 20 30 FDEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000156180697 526075274 /nfs/dbraw/zinc/07/52/74/526075274.db2.gz GDSHUXWTBWEFGT-AWEZNQCLSA-N 2 0 351.445 1.614 20 30 FDEDRP C[NH+]=C(NCc1cccc(-n2cncn2)c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262815186 536909234 /nfs/dbraw/zinc/90/92/34/536909234.db2.gz VMMMDLPARTZRMZ-SFHVURJKSA-N 2 0 351.458 1.289 20 30 FDEDRP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000371821686 537833688 /nfs/dbraw/zinc/83/36/88/537833688.db2.gz CATVAEZHQAZOON-IBGZPJMESA-N 2 0 362.562 1.925 20 30 FDEDRP C[NH+](C)CCCN(CCC#N)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000486757140 538560339 /nfs/dbraw/zinc/56/03/39/538560339.db2.gz HJOAFXSZELQFRR-UHFFFAOYSA-N 2 0 358.490 1.141 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2CC)CC1 ZINC000561414843 545838334 /nfs/dbraw/zinc/83/83/34/545838334.db2.gz OXRIAMXVCIBVRX-QGZVFWFLSA-N 2 0 350.507 1.134 20 30 FDEDRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cc2)CC1 ZINC000571795452 549766717 /nfs/dbraw/zinc/76/67/17/549766717.db2.gz ZNOSMBJYZXIFSG-IBGZPJMESA-N 2 0 357.502 1.461 20 30 FDEDRP C[C@H]1CN(CCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CCCO1 ZINC000572114522 549845228 /nfs/dbraw/zinc/84/52/28/549845228.db2.gz ZEKJJFIZESBTDO-INIZCTEOSA-N 2 0 365.499 1.422 20 30 FDEDRP N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000584580581 551521396 /nfs/dbraw/zinc/52/13/96/551521396.db2.gz NFLBIYWZFOTLLF-LJQANCHMSA-N 2 0 355.486 1.918 20 30 FDEDRP COC(=O)C[C@H]1CCCC[N@@H+]1CC#CC[NH+]1CCCC[C@H]1CC(=O)OC ZINC000585753451 551593418 /nfs/dbraw/zinc/59/34/18/551593418.db2.gz FMXCXCYDLQPAJX-HDICACEKSA-N 2 0 364.486 1.825 20 30 FDEDRP CN(C(=O)c1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000592168000 551952633 /nfs/dbraw/zinc/95/26/33/551952633.db2.gz SAGKFZYHGCTTGJ-ROUUACIJSA-N 2 0 371.485 1.812 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000592343887 551982938 /nfs/dbraw/zinc/98/29/38/551982938.db2.gz MATCYWAVANLYOX-LJQANCHMSA-N 2 0 365.566 1.598 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCCO[C@H](C[NH3+])C3)CC2)c1 ZINC000593720971 552182324 /nfs/dbraw/zinc/18/23/24/552182324.db2.gz NSYMUZWKTWAXSC-LJQANCHMSA-N 2 0 371.485 1.282 20 30 FDEDRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594439536 552310194 /nfs/dbraw/zinc/31/01/94/552310194.db2.gz RMSMACSKHDOVCS-HXUWFJFHSA-N 2 0 371.529 1.852 20 30 FDEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1([NH3+])CCOCC1 ZINC000599929910 553175702 /nfs/dbraw/zinc/17/57/02/553175702.db2.gz CQBXXEJZBRRDDI-UHFFFAOYSA-N 2 0 359.474 1.139 20 30 FDEDRP N#CC1(C[C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCOCC1 ZINC000600729254 553308376 /nfs/dbraw/zinc/30/83/76/553308376.db2.gz UHJAJJYLMGBSPD-OTWHNJEPSA-N 2 0 365.518 1.415 20 30 FDEDRP C[NH+]=C(NCc1sc(C)nc1C)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000128707472 671779294 /nfs/dbraw/zinc/77/92/94/671779294.db2.gz ZDPAYKRUPXARGX-HNNXBMFYSA-N 2 0 365.547 1.926 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000134118910 671826188 /nfs/dbraw/zinc/82/61/88/671826188.db2.gz ZJYPLGUAHQRLHT-HNNXBMFYSA-N 2 0 353.511 1.490 20 30 FDEDRP NC(=O)C1CC[NH+](CCCCNC(=[NH2+])Nc2cc(F)ccc2F)CC1 ZINC000288651807 676034865 /nfs/dbraw/zinc/03/48/65/676034865.db2.gz FGXVFJGEFOWDCM-UHFFFAOYSA-N 2 0 353.417 1.669 20 30 FDEDRP CC[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N1CCN(c2nc(CC)ns2)CC1 ZINC000261829533 672679872 /nfs/dbraw/zinc/67/98/72/672679872.db2.gz VHFCZZUAFRUKCZ-CQSZACIVSA-N 2 0 365.551 1.140 20 30 FDEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)NC1CC[NH+](CCOC)CC1 ZINC000262394037 672782419 /nfs/dbraw/zinc/78/24/19/672782419.db2.gz MPTKGIWTEPSPIT-GVDBMIGSSA-N 2 0 352.523 1.466 20 30 FDEDRP CN1CC[N@H+](C)C[C@H]1CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000262515953 672802048 /nfs/dbraw/zinc/80/20/48/672802048.db2.gz GFSUUMYELYQCRK-QGZVFWFLSA-N 2 0 364.925 1.023 20 30 FDEDRP C[NH+]=C(NCc1ccc(Cl)cc1Cl)NC[C@H]1C[NH+]2CCN1CC2 ZINC000262780898 672848766 /nfs/dbraw/zinc/84/87/66/672848766.db2.gz KUWBUQDQTOIWJA-AWEZNQCLSA-N 2 0 356.301 1.658 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1CS(C)(=O)=O ZINC000304743936 676544261 /nfs/dbraw/zinc/54/42/61/676544261.db2.gz DMAVEZQZMMGDDC-INIZCTEOSA-N 2 0 352.504 1.120 20 30 FDEDRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000329554647 676643765 /nfs/dbraw/zinc/64/37/65/676643765.db2.gz KKUWDDSMGCFURT-JQHSSLGASA-N 2 0 352.523 1.552 20 30 FDEDRP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC[N@@H+]1C ZINC000329805283 676657835 /nfs/dbraw/zinc/65/78/35/676657835.db2.gz MWQPEWBUWAWILW-WBVHZDCISA-N 2 0 351.539 1.531 20 30 FDEDRP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000330446542 676691207 /nfs/dbraw/zinc/69/12/07/676691207.db2.gz XUZYCBBKXVCALY-ZACQAIPSSA-N 2 0 350.507 1.568 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[N@H+](CC(C)(C)O)CC2)CC1 ZINC000373553280 678064557 /nfs/dbraw/zinc/06/45/57/678064557.db2.gz BMTCIOVTEJTXKF-UHFFFAOYSA-N 2 0 352.523 1.515 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)C1CC[NH2+]CC1)C(C)C ZINC000419576926 680282097 /nfs/dbraw/zinc/28/20/97/680282097.db2.gz YLHOEWYUGSYBEC-QGZVFWFLSA-N 2 0 350.507 1.012 20 30 FDEDRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC1CC[NH+](Cc3cccc(C#N)c3)CC1)C2 ZINC000892233251 782394908 /nfs/dbraw/zinc/39/49/08/782394908.db2.gz VJVAVMZTIVTQPB-GHTZIAJQSA-N 2 0 367.497 1.774 20 30 FDEDRP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001104256575 772448115 /nfs/dbraw/zinc/44/81/15/772448115.db2.gz GBDNFMCXRRUHQN-KURKYZTESA-N 2 0 357.514 1.943 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001104927717 794435454 /nfs/dbraw/zinc/43/54/54/794435454.db2.gz QJALEBXTKIURFE-KZNAEPCWSA-N 2 0 366.550 1.483 20 30 FDEDRP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001105017102 794934296 /nfs/dbraw/zinc/93/42/96/794934296.db2.gz PCDCADBXBXEIBG-GUDVDZBRSA-N 2 0 367.534 1.232 20 30 FDEDRP C[NH+]1CC[C@]2(C1)CCCN(CC#CCN1CCC[C@]3(CC[N@@H+](C)C3)C1)C2 ZINC000660665571 801007712 /nfs/dbraw/zinc/00/77/12/801007712.db2.gz WODDQRUCDDMFRU-SZPZYZBQSA-N 2 0 358.574 1.825 20 30 FDEDRP C=CC[C@]1(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CCC[NH2+]1 ZINC000662698285 806970492 /nfs/dbraw/zinc/97/04/92/806970492.db2.gz JFQKRVVCTPGING-HXUWFJFHSA-N 2 0 358.486 1.293 20 30 FDEDRP C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000669336989 810320967 /nfs/dbraw/zinc/32/09/67/810320967.db2.gz ZVARNDVFDOEGCO-MSOLQXFVSA-N 2 0 374.533 1.920 20 30 FDEDRP C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262020017 811368441 /nfs/dbraw/zinc/36/84/41/811368441.db2.gz YPJNSCSMFDSLJN-KBXCAEBGSA-N 2 0 367.501 1.723 20 30 FDEDRP C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)NC1CC[NH+](C(C)C)CC1 ZINC000262209995 811414026 /nfs/dbraw/zinc/41/40/26/811414026.db2.gz JNZIUERGISKCJH-UHFFFAOYSA-N 2 0 371.529 1.609 20 30 FDEDRP C[NH+]=C(NCCN1C(=O)Cc2ccccc21)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262426080 811465219 /nfs/dbraw/zinc/46/52/19/811465219.db2.gz COLCNZITHNASQN-GOSISDBHSA-N 2 0 369.513 1.711 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C)C(C)C ZINC000419425892 811935087 /nfs/dbraw/zinc/93/50/87/811935087.db2.gz QFRPQMLLNXNJAH-GUDVDZBRSA-N 2 0 366.550 1.782 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)C(C)C ZINC000419566811 812022073 /nfs/dbraw/zinc/02/20/73/812022073.db2.gz GZKKHMABBCTBCG-XLIONFOSSA-N 2 0 362.518 1.013 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000419736398 812161650 /nfs/dbraw/zinc/16/16/50/812161650.db2.gz XHHDHHYFXNEGMD-AEFFLSMTSA-N 2 0 362.518 1.134 20 30 FDEDRP C#CC[NH+]1CCC(Nc2cncc(NC3CC[NH+](CC#C)CC3)n2)CC1 ZINC000895808294 822754143 /nfs/dbraw/zinc/75/41/43/822754143.db2.gz KOZSNGUROPKOFF-UHFFFAOYSA-N 2 0 352.486 1.496 20 30 FDEDRP CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000329006198 824532592 /nfs/dbraw/zinc/53/25/92/824532592.db2.gz YXXKAQMEAVIBAC-IRXDYDNUSA-N 2 0 374.533 1.662 20 30 FDEDRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000329301798 824724300 /nfs/dbraw/zinc/72/43/00/824724300.db2.gz WMBYZEGIXXCWKJ-HCXYKTFWSA-N 2 0 364.534 1.885 20 30 FDEDRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000329409176 824775707 /nfs/dbraw/zinc/77/57/07/824775707.db2.gz CPBOHQLNFLLPBG-OWYHZJEWSA-N 2 0 364.534 1.694 20 30 FDEDRP C[NH+]=C(NCc1nnc2n1CCCCC2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262465992 827059943 /nfs/dbraw/zinc/05/99/43/827059943.db2.gz NSAQTRHPCIWYGD-INIZCTEOSA-N 2 0 359.522 1.640 20 30 FDEDRP O=C(N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001088172180 827242460 /nfs/dbraw/zinc/24/24/60/827242460.db2.gz ZARNRZLBMVPNQO-RTWAWAEBSA-N 2 0 363.505 1.914 20 30 FDEDRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CC#Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001088199851 827432654 /nfs/dbraw/zinc/43/26/54/827432654.db2.gz FNVPMPHNXNUYPJ-NJYVYQBISA-N 2 0 351.494 1.770 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001112184789 827862166 /nfs/dbraw/zinc/86/21/66/827862166.db2.gz FYCBARYSZNBAED-HUUCEWRRSA-N 2 0 363.424 1.652 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001112185063 827876389 /nfs/dbraw/zinc/87/63/89/827876389.db2.gz RNEDYCRTMOMOHE-HUUCEWRRSA-N 2 0 361.408 1.099 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000303792193 827927087 /nfs/dbraw/zinc/92/70/87/827927087.db2.gz YFWFAXZYLSFRFJ-UHFFFAOYSA-N 2 0 373.545 1.670 20 30 FDEDRP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000303888770 827939878 /nfs/dbraw/zinc/93/98/78/827939878.db2.gz PDCKSFIJZTZKNB-INIZCTEOSA-N 2 0 367.538 1.974 20 30 FDEDRP Cn1c(C#N)ccc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000448837750 829262395 /nfs/dbraw/zinc/26/23/95/829262395.db2.gz VAVXAIHGKABTEN-UHFFFAOYSA-N 2 0 352.442 1.234 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(C)C ZINC000729592915 830135134 /nfs/dbraw/zinc/13/51/34/830135134.db2.gz NXKOUWOLLOBFLO-GBESFXJTSA-N 2 0 364.534 1.847 20 30 FDEDRP C[NH+]1CCC(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)(N2CCOCC2)CC1 ZINC000263075729 832303302 /nfs/dbraw/zinc/30/33/02/832303302.db2.gz HEZNZWCVOIKNCT-UHFFFAOYSA-N 2 0 371.529 1.699 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@@H+](C)CCC)[C@@H]2C(C)C)C[C@H]1O ZINC001105670134 844358109 /nfs/dbraw/zinc/35/81/09/844358109.db2.gz YAZGDFNWOVEQSN-HNBVOPMISA-N 2 0 351.535 1.870 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)[N@@H+](C)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105642332 842306323 /nfs/dbraw/zinc/30/63/23/842306323.db2.gz IVFUSFYFDMNFIN-DCXXXQMHSA-N 2 0 363.546 1.706 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001105650755 842440520 /nfs/dbraw/zinc/44/05/20/842440520.db2.gz AKOSAIIMZCGRDM-WIRSXHRWSA-N 2 0 363.546 1.870 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105652862 842448656 /nfs/dbraw/zinc/44/86/56/842448656.db2.gz QAGRTWGYFRMLKA-HNBVOPMISA-N 2 0 351.535 1.870 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001105652433 842453971 /nfs/dbraw/zinc/45/39/71/842453971.db2.gz MMPCCFJRZHQQPQ-WIRSXHRWSA-N 2 0 361.530 1.318 20 30 FDEDRP C=CCN(C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000842277301 846185765 /nfs/dbraw/zinc/18/57/65/846185765.db2.gz OZISKWNILQEXPG-UHFFFAOYSA-N 2 0 372.513 1.519 20 30 FDEDRP COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CC[NH+](C)C4)[C@@H]3C2)cc1C#N ZINC001076569122 848464606 /nfs/dbraw/zinc/46/46/06/848464606.db2.gz KKKMLKRFRHISKO-JENIJYKNSA-N 2 0 368.481 1.551 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cnoc4C)C[C@H]32)CC1 ZINC001076604477 848553808 /nfs/dbraw/zinc/55/38/08/848553808.db2.gz IBCJWZXTCIXAID-PKOBYXMFSA-N 2 0 356.470 1.361 20 30 FDEDRP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105946350 864190530 /nfs/dbraw/zinc/19/05/30/864190530.db2.gz RFQJRUDWIUWXTM-KURKYZTESA-N 2 0 364.534 1.189 20 30 FDEDRP C#CCN(C(=O)NCC[N@@H+](CC)CCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000922188121 873596335 /nfs/dbraw/zinc/59/63/35/873596335.db2.gz OVEYSDDACQSYRM-UHFFFAOYSA-N 2 0 362.440 2.000 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000761753040 874193210 /nfs/dbraw/zinc/19/32/10/874193210.db2.gz VVXUMOMMTPTRMU-UHFFFAOYSA-N 2 0 359.470 1.499 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999189033 912226272 /nfs/dbraw/zinc/22/62/72/912226272.db2.gz GLJRRLXLDHHNTC-ATZDWAIDSA-N 2 0 370.497 1.988 20 30 FDEDRP C#CC[NH+](C)CCCNC(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000922626531 878844256 /nfs/dbraw/zinc/84/42/56/878844256.db2.gz BWCXIIUKGIBIMS-FTEYMNFISA-N 2 0 364.534 1.111 20 30 FDEDRP C#CCN(C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)C1CC[NH+](C)CC1 ZINC000917412661 883399259 /nfs/dbraw/zinc/39/92/59/883399259.db2.gz KMJNFULKKPWIDO-UHFFFAOYSA-N 2 0 364.534 1.615 20 30 FDEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129054712 885587747 /nfs/dbraw/zinc/58/77/47/885587747.db2.gz KRDSBSPZXOIKMZ-KURKYZTESA-N 2 0 360.506 1.460 20 30 FDEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129219934 886603129 /nfs/dbraw/zinc/60/31/29/886603129.db2.gz OPQOGDMKNIUIDK-BBWFWOEESA-N 2 0 360.506 1.316 20 30 FDEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001112543706 889469606 /nfs/dbraw/zinc/46/96/06/889469606.db2.gz QJYPWBYZFYJEPJ-ICSRJNTNSA-N 2 0 357.502 1.300 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)cc(C)c3)C[C@@H]2O)CC1 ZINC001084087830 913357388 /nfs/dbraw/zinc/35/73/88/913357388.db2.gz BXDXCEVRWBPFGY-RTWAWAEBSA-N 2 0 369.509 1.310 20 30 FDEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2ccnc2CC)[C@H](OC)C1 ZINC001212301554 889983272 /nfs/dbraw/zinc/98/32/72/889983272.db2.gz ZIYPPNSTODINAD-BRWVUGGUSA-N 2 0 364.490 1.415 20 30 FDEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001084231100 913776267 /nfs/dbraw/zinc/77/62/67/913776267.db2.gz STTXKOGSVGLGSI-MISYRCLQSA-N 2 0 368.481 1.716 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1 ZINC001106980844 897431006 /nfs/dbraw/zinc/43/10/06/897431006.db2.gz BZBLUHCCIACJHJ-NZSAHSFTSA-N 2 0 357.473 1.813 20 30 FDEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079227101 902238508 /nfs/dbraw/zinc/23/85/08/902238508.db2.gz CFVOYBQQCBGLDL-GBESFXJTSA-N 2 0 361.530 1.986 20 30 FDEDRP C#CCC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079245661 902255676 /nfs/dbraw/zinc/25/56/76/902255676.db2.gz FAOIKQXFEFRARJ-RBUKOAKNSA-N 2 0 359.514 1.433 20 30 FDEDRP C=CCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259668 902295601 /nfs/dbraw/zinc/29/56/01/902295601.db2.gz MZWGOWRWKIQWIC-GBESFXJTSA-N 2 0 361.530 1.844 20 30 FDEDRP C=CCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079260540 902297487 /nfs/dbraw/zinc/29/74/87/902297487.db2.gz BEXAHAXAAPQANA-CEXWTWQISA-N 2 0 361.530 1.986 20 30 FDEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)COC[C@@H](C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107552454 905556379 /nfs/dbraw/zinc/55/63/79/905556379.db2.gz NLPBORCLQNIBDV-SFHLNBCPSA-N 2 0 361.530 1.871 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@H]2C)CC1 ZINC001080997359 906969488 /nfs/dbraw/zinc/96/94/88/906969488.db2.gz AJFPYDRCCUSCLX-DJIMGWMZSA-N 2 0 369.456 1.192 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001082520050 908213846 /nfs/dbraw/zinc/21/38/46/908213846.db2.gz XDLNHKHVOJLMNO-BCXHYRKLSA-N 2 0 358.461 1.974 20 30 FDEDRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C)cc1C#N ZINC001082520582 908220372 /nfs/dbraw/zinc/22/03/72/908220372.db2.gz GJXDJDZFNNDSLE-OHDICMOHSA-N 2 0 370.497 1.844 20 30 FDEDRP CC[NH+]=C(NCC[N@@H+]1CCC[C@H](C)C1)N1CCN(c2ncccn2)CC1 ZINC000073447177 909731742 /nfs/dbraw/zinc/73/17/42/909731742.db2.gz SNESHQOBYXDVMZ-KRWDZBQOSA-N 2 0 359.522 1.296 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC[C@H]4CCCO4)C[C@H]32)CC1 ZINC001084851205 917660589 /nfs/dbraw/zinc/66/05/89/917660589.db2.gz RQRMUXGLGAVRSM-VAMGGRTRSA-N 2 0 359.514 1.433 20 30 FDEDRP C[N@H+](CC1CC[NH+](C)CC1)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000103461852 928961505 /nfs/dbraw/zinc/96/15/05/928961505.db2.gz XFFWCSGGCPROSE-UHFFFAOYSA-N 2 0 369.469 1.554 20 30 FDEDRP COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001112584786 931786377 /nfs/dbraw/zinc/78/63/77/931786377.db2.gz KBBPCZFWDKVPMB-FPOVZHCZSA-N 2 0 361.530 1.731 20 30 FDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894345 938555418 /nfs/dbraw/zinc/55/54/18/938555418.db2.gz BTNPPFRVFWWNPI-JQHSSLGASA-N 2 0 360.506 1.459 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001130011983 938614430 /nfs/dbraw/zinc/61/44/30/938614430.db2.gz HQPLTZJCIAMDQY-SJORKVTESA-N 2 0 360.506 1.318 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1n1ccnn1 ZINC001130037934 938635824 /nfs/dbraw/zinc/63/58/24/938635824.db2.gz DANQYTIMTOAFOX-MOPGFXCFSA-N 2 0 366.469 1.018 20 30 FDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130094662 938679363 /nfs/dbraw/zinc/67/93/63/938679363.db2.gz OYQJODPFCHSNJP-KSZLIROESA-N 2 0 362.522 1.706 20 30 FDEDRP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001130291138 938795898 /nfs/dbraw/zinc/79/58/98/938795898.db2.gz YRXFODJFSRGBRU-AEFFLSMTSA-N 2 0 362.518 1.132 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1cn(C)cn1 ZINC001130596478 939903223 /nfs/dbraw/zinc/90/32/23/939903223.db2.gz DCLBYMBLWMLCEG-JENIJYKNSA-N 2 0 357.502 1.222 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130634929 939937092 /nfs/dbraw/zinc/93/70/92/939937092.db2.gz ADXHMJGOHNZXOT-SXLOBPIMSA-N 2 0 369.513 1.202 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001131008218 940434684 /nfs/dbraw/zinc/43/46/84/940434684.db2.gz XNDJFCGTTUERSE-GUDVDZBRSA-N 2 0 371.529 1.590 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1c1cncn1C ZINC001131070169 940484207 /nfs/dbraw/zinc/48/42/07/940484207.db2.gz JCOWEOXLMRDBGO-RCCFBDPRSA-N 2 0 359.518 1.612 20 30 FDEDRP CC(C)(C)[NH2+]CCC(=O)N1CCN(C(=O)CC[NH2+]C(C)(C)C)[C@H](C#N)C1 ZINC000825488215 947275630 /nfs/dbraw/zinc/27/56/30/947275630.db2.gz ATKOFFDZKJGLKO-OAHLLOKOSA-N 2 0 365.522 1.106 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001087011436 953103770 /nfs/dbraw/zinc/10/37/70/953103770.db2.gz XFDXZYHEFDQTSW-VQTJNVASSA-N 2 0 365.481 1.313 20 30 FDEDRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001087100780 953271394 /nfs/dbraw/zinc/27/13/94/953271394.db2.gz DEWDMSOPKWDOBE-WOJBJXKFSA-N 2 0 370.497 1.607 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CCn4cccn4)C[C@@]3(C)C2)CC1 ZINC001092299569 954745161 /nfs/dbraw/zinc/74/51/61/954745161.db2.gz BRLNZZLATPGURV-CTNGQTDRSA-N 2 0 369.513 1.009 20 30 FDEDRP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[NH+]3CCC(C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001093469754 958223251 /nfs/dbraw/zinc/22/32/51/958223251.db2.gz KMONNINNCZQIGG-RMVXJAJNSA-N 2 0 363.546 1.870 20 30 FDEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474058 960642664 /nfs/dbraw/zinc/64/26/64/960642664.db2.gz JNYLOFSYLYYHRA-HSGZRYJKSA-N 2 0 357.498 1.234 20 30 FDEDRP C=CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001181518550 960945678 /nfs/dbraw/zinc/94/56/78/960945678.db2.gz WGJODKZJRNFNHG-AXVVYFOYSA-N 2 0 364.534 1.093 20 30 FDEDRP C=C(C)CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2=O)C1 ZINC001094740213 961134227 /nfs/dbraw/zinc/13/42/27/961134227.db2.gz LUGQGZYXGVNTBI-BPQIPLTHSA-N 2 0 362.518 1.084 20 30 FDEDRP CN1CC[N@H+](C)C[C@H]1C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001185266683 963889118 /nfs/dbraw/zinc/88/91/18/963889118.db2.gz CZMMZPPEDXWVPP-UFYCRDLUSA-N 2 0 369.513 1.403 20 30 FDEDRP C=CCN1CC[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1=O ZINC001178522687 964273273 /nfs/dbraw/zinc/27/32/73/964273273.db2.gz ODEZXCUJHTYHMI-KZNAEPCWSA-N 2 0 364.534 1.380 20 30 FDEDRP C=CCN(CC=C)C(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190237739 967683635 /nfs/dbraw/zinc/68/36/35/967683635.db2.gz FEWYULFPEIUJPV-FGTMMUONSA-N 2 0 362.518 1.060 20 30 FDEDRP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001193726834 969817636 /nfs/dbraw/zinc/81/76/36/969817636.db2.gz FODJEEFKOYRCJH-IPMKNSEASA-N 2 0 351.535 1.872 20 30 FDEDRP COC(=O)[C@H](CS)NC(=O)c1ccc(CN(C)CCC[NH+](C)C)cc1 ZINC001198031477 972709506 /nfs/dbraw/zinc/70/95/06/972709506.db2.gz VPKSKJZKCXMAJA-INIZCTEOSA-N 2 0 367.515 1.271 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccccc2CC#N)C[C@H]1C[NH+](C)C ZINC000867591215 976451937 /nfs/dbraw/zinc/45/19/37/976451937.db2.gz ZGIHDBFWRCZUOF-IAGOWNOFSA-N 2 0 364.515 1.113 20 30 FDEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000858492671 982078332 /nfs/dbraw/zinc/07/83/32/982078332.db2.gz BKQUVJXZDRVUFN-UHFFFAOYSA-N 2 0 350.507 1.228 20 30 FDEDRP COCC#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001202589664 982637810 /nfs/dbraw/zinc/63/78/10/982637810.db2.gz ZWIYMQMDWLADST-RTWAWAEBSA-N 2 0 369.509 1.562 20 30 FDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1CC[N@H+](CCc3ccccc3)C1)C2 ZINC000884203946 982979132 /nfs/dbraw/zinc/97/91/32/982979132.db2.gz JTYWVJWLQGWHRP-SFHMGJLPSA-N 2 0 366.509 1.807 20 30 FDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C2 ZINC000884221971 982996114 /nfs/dbraw/zinc/99/61/14/982996114.db2.gz FAXQCEJUEITUNG-JMDAGXMHSA-N 2 0 352.482 1.907 20 30 FDEDRP C[NH+]1CCN(Cc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)cc2)CC1 ZINC000884234161 983008396 /nfs/dbraw/zinc/00/83/96/983008396.db2.gz JZFQLKHVCTYHCB-IDYZSHNDSA-N 2 0 367.497 1.512 20 30 FDEDRP C[NH+]1CCC(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)(c2ccccc2)CC1 ZINC000884467203 983172683 /nfs/dbraw/zinc/17/26/83/983172683.db2.gz QJHACHBLFBCJSN-IMYXXEESSA-N 2 0 366.509 1.906 20 30 FDEDRP C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369666241 989079236 /nfs/dbraw/zinc/07/92/36/989079236.db2.gz VRRZSMCWKCOKDM-UHFFFAOYSA-N 2 0 361.494 1.849 20 30 FDEDRP C[C@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000363667893 989383269 /nfs/dbraw/zinc/38/32/69/989383269.db2.gz AASIOEPKLSELPQ-FXAWDEMLSA-N 2 0 372.513 1.398 20 30 FDEDRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876775173 992900042 /nfs/dbraw/zinc/90/00/42/992900042.db2.gz QBGCANQLWPOFOQ-FXAWDEMLSA-N 2 0 352.482 1.935 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000876979320 992994271 /nfs/dbraw/zinc/99/42/71/992994271.db2.gz AZWLQJFVHGCURQ-FXAWDEMLSA-N 2 0 352.482 1.983 20 30 FDEDRP COc1ccc(CCNC(=[NH2+])NCC2([NH+](C)C)CCOCC2)cc1OC ZINC000267399533 999325748 /nfs/dbraw/zinc/32/57/48/999325748.db2.gz FOYDXOVJSZRVIL-UHFFFAOYSA-N 2 0 364.490 1.261 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000270405526 999554365 /nfs/dbraw/zinc/55/43/65/999554365.db2.gz GNQZTYYPASNKFS-QZTJIDSGSA-N 2 0 357.502 1.424 20 30 FDEDRP C#CCN(C(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1)C1CC[NH+](C)CC1 ZINC000929362338 1001970183 /nfs/dbraw/zinc/97/01/83/1001970183.db2.gz YWZPGDFZUFFHHL-UHFFFAOYSA-N 2 0 374.529 1.066 20 30 FDEDRP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001111277131 1002469916 /nfs/dbraw/zinc/46/99/16/1002469916.db2.gz CBYPCKMHMIUCMC-QRVBRYPASA-N 2 0 356.470 1.358 20 30 FDEDRP COc1ncc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1C#N ZINC000932520123 1004998346 /nfs/dbraw/zinc/99/83/46/1004998346.db2.gz WNXBRXDTFYKTIB-HUUCEWRRSA-N 2 0 360.462 1.165 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CCC)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000647028761 1009403887 /nfs/dbraw/zinc/40/38/87/1009403887.db2.gz ICFJOVJIMJQCFT-QGZVFWFLSA-N 2 0 350.507 1.086 20 30 FDEDRP CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])Nc2cc(OC)ccc2OC)CC1 ZINC000303901152 1009684387 /nfs/dbraw/zinc/68/43/87/1009684387.db2.gz XEWAYYSVBWAQJP-OAHLLOKOSA-N 2 0 363.506 1.704 20 30 FDEDRP C[C@@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000303903367 1009685615 /nfs/dbraw/zinc/68/56/15/1009685615.db2.gz UJRJRMSYMZKRFT-HOTGVXAUSA-N 2 0 367.538 1.974 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)N(CC)C[C@H]2C)CC1 ZINC000553326670 543610049 /nfs/dbraw/zinc/61/00/49/543610049.db2.gz BIOPKOLLJVXTFO-HZPDHXFCSA-N 2 0 350.507 1.084 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000553672129 543678648 /nfs/dbraw/zinc/67/86/48/543678648.db2.gz MGLPTJCGXJJWCH-QGZVFWFLSA-N 2 0 364.534 1.381 20 30 FDEDRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000555552906 543972202 /nfs/dbraw/zinc/97/22/02/543972202.db2.gz VUNIMDRWAHCWOR-UHFFFAOYSA-N 2 0 350.426 1.831 20 30 FDEDRP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)c1C#N ZINC000534791193 490409223 /nfs/dbraw/zinc/40/92/23/490409223.db2.gz LWLVNHKMACVLSQ-INIZCTEOSA-N 2 0 362.478 1.165 20 30 FDEDRP [NH2+]=C(NCCCN1CCOCC1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000080839308 523910073 /nfs/dbraw/zinc/91/00/73/523910073.db2.gz WPGMHJRASWFIRP-IBGZPJMESA-N 2 0 359.518 1.278 20 30 FDEDRP C[NH+]=C(NCc1c(C)noc1C)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000156107803 526057781 /nfs/dbraw/zinc/05/77/81/526057781.db2.gz KSFARBYZHVGAES-UHFFFAOYSA-N 2 0 371.489 1.303 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(NC[C@@H]2CCc3nnc(C)n3C2)=[NH+]C)CC1 ZINC000262830911 536913353 /nfs/dbraw/zinc/91/33/53/536913353.db2.gz ZYJGVDISZLEVJC-INIZCTEOSA-N 2 0 359.522 1.354 20 30 FDEDRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000247741385 537147501 /nfs/dbraw/zinc/14/75/01/537147501.db2.gz NTBBSZLRRLLQAN-UZLBHIALSA-N 2 0 370.497 1.688 20 30 FDEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000274850737 537534028 /nfs/dbraw/zinc/53/40/28/537534028.db2.gz QWCOQUAIVAKXKM-XYJFISCASA-N 2 0 358.486 1.887 20 30 FDEDRP CC(C)[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)N1CC[NH+](C)CC1 ZINC000304511183 537598674 /nfs/dbraw/zinc/59/86/74/537598674.db2.gz WYZIHIQMFJARHI-ROUUACIJSA-N 2 0 359.518 1.687 20 30 FDEDRP C[C@H](NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)N1CCCCC1 ZINC000329164885 537635144 /nfs/dbraw/zinc/63/51/44/537635144.db2.gz HGGHUFIYIHBPFT-PMRDEQMMSA-N 2 0 350.507 1.901 20 30 FDEDRP C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000371265891 537796178 /nfs/dbraw/zinc/79/61/78/537796178.db2.gz GLFVZZMUYDFQFE-ZWKOTPCHSA-N 2 0 369.513 1.845 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)C(C)C ZINC000417073531 537997232 /nfs/dbraw/zinc/99/72/32/537997232.db2.gz YAQUHXLBRBXWEG-RBUKOAKNSA-N 2 0 363.550 1.374 20 30 FDEDRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593714491 552180820 /nfs/dbraw/zinc/18/08/20/552180820.db2.gz XUTYEIUANOTQFO-DNVCBOLYSA-N 2 0 355.486 1.820 20 30 FDEDRP CC1(C)CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC000593722772 552182674 /nfs/dbraw/zinc/18/26/74/552182674.db2.gz YSODSDFTLGULOI-UHFFFAOYSA-N 2 0 355.486 1.916 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC34CC(C3)C[NH2+]4)CC2)c1 ZINC000595272113 552509627 /nfs/dbraw/zinc/50/96/27/552509627.db2.gz VQLSIKGLHMXODX-UHFFFAOYSA-N 2 0 353.470 1.574 20 30 FDEDRP N#Cc1ccc(CC[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000595892610 552629522 /nfs/dbraw/zinc/62/95/22/552629522.db2.gz NRCWGKFBOVLVMC-RTBURBONSA-N 2 0 353.470 1.321 20 30 FDEDRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000597943317 552848851 /nfs/dbraw/zinc/84/88/51/552848851.db2.gz XSAQKXCFOICJQK-PXNSSMCTSA-N 2 0 371.529 1.915 20 30 FDEDRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000599921786 553174874 /nfs/dbraw/zinc/17/48/74/553174874.db2.gz DNVHWYATIJDSBQ-RBUKOAKNSA-N 2 0 355.486 1.962 20 30 FDEDRP N#CC1(C[C@@H](O)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CCOCC1 ZINC000600736844 553309165 /nfs/dbraw/zinc/30/91/65/553309165.db2.gz SWMUYUXVFJXBQA-WOJBJXKFSA-N 2 0 373.497 1.414 20 30 FDEDRP C[NH+]1CCC(C#N)(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000609548116 554391538 /nfs/dbraw/zinc/39/15/38/554391538.db2.gz PSVHJVYUAZXHPH-UHFFFAOYSA-N 2 0 369.513 1.693 20 30 FDEDRP C=C(CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000620748103 555978737 /nfs/dbraw/zinc/97/87/37/555978737.db2.gz LPXOHNCYYZCJRC-XLAORIBOSA-N 2 0 364.534 1.521 20 30 FDEDRP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000088481414 671489094 /nfs/dbraw/zinc/48/90/94/671489094.db2.gz CWBXMRVFIJTSOP-QGZVFWFLSA-N 3 0 351.539 1.233 20 30 FDEDRP C[NH+](C)CC(C)(C)CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089119985 671491658 /nfs/dbraw/zinc/49/16/58/671491658.db2.gz GMQVKEKFMXXPPY-AWEZNQCLSA-N 2 0 353.511 1.455 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000104156674 671594331 /nfs/dbraw/zinc/59/43/31/671594331.db2.gz QICNNKZRYJTMBF-HNNXBMFYSA-N 2 0 353.511 1.776 20 30 FDEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(F)cc1OCC#N ZINC000132935769 671817374 /nfs/dbraw/zinc/81/73/74/671817374.db2.gz DFGJBNZVPCQHQB-UHFFFAOYSA-N 2 0 351.426 1.685 20 30 FDEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCSC2(CCCCC2)C1 ZINC000261747421 672663870 /nfs/dbraw/zinc/66/38/70/672663870.db2.gz BWWSEVBWDMCBDS-MRXNPFEDSA-N 2 0 351.564 1.313 20 30 FDEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)NCC1(N2CCOCC2)CCCCC1 ZINC000262943935 672855589 /nfs/dbraw/zinc/85/55/89/672855589.db2.gz AJGXKBFBDXHMQV-KRWDZBQOSA-N 2 0 351.539 1.138 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1cccs1)N1CCOCC1 ZINC000264085741 672900635 /nfs/dbraw/zinc/90/06/35/672900635.db2.gz JQNYZZNFHUQCCA-HZPDHXFCSA-N 2 0 365.547 1.510 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)c1cc(OC)ccc1OC ZINC000264083943 672900732 /nfs/dbraw/zinc/90/07/32/672900732.db2.gz IHQKOPGYIGUTEH-CJNGLKHVSA-N 2 0 350.463 1.126 20 30 FDEDRP CC[NH+]1CCN(CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000264116599 672901534 /nfs/dbraw/zinc/90/15/34/672901534.db2.gz SYEWITOCAKTDRS-UHFFFAOYSA-N 2 0 359.396 1.949 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OCC(F)(F)F)nc1 ZINC000303894065 676543747 /nfs/dbraw/zinc/54/37/47/676543747.db2.gz OOYWNXJYZXVFOB-CYBMUJFWSA-N 2 0 359.396 1.911 20 30 FDEDRP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000303975499 676543968 /nfs/dbraw/zinc/54/39/68/676543968.db2.gz JCDFODAZEGLUKE-OAHLLOKOSA-N 2 0 350.463 1.219 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1c(F)cccc1F)N(C)C ZINC000304749673 676544273 /nfs/dbraw/zinc/54/42/73/676544273.db2.gz HWZUJSIFOAXDON-XJKSGUPXSA-N 2 0 353.461 1.956 20 30 FDEDRP O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000329128042 676621729 /nfs/dbraw/zinc/62/17/29/676621729.db2.gz VDDZSCXBEFEDND-IAGOWNOFSA-N 2 0 350.507 1.762 20 30 FDEDRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330249050 676680834 /nfs/dbraw/zinc/68/08/34/676680834.db2.gz ZQYGUUPAJCTXRO-DDBAPUKQSA-N 2 0 350.507 1.447 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(C#N)s1 ZINC000435435307 681593703 /nfs/dbraw/zinc/59/37/03/681593703.db2.gz AAEBEHPUBAENEH-UHFFFAOYSA-N 2 0 358.533 1.514 20 30 FDEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001104264828 772581012 /nfs/dbraw/zinc/58/10/12/772581012.db2.gz GWVLMGNKJWHMGG-KURKYZTESA-N 2 0 364.534 1.237 20 30 FDEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001104345182 776020844 /nfs/dbraw/zinc/02/08/44/776020844.db2.gz DENXAPRQPGJQGT-RTBURBONSA-N 2 0 361.530 1.586 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC(C)(C)CN2CC[NH+](CC)CC2)CC1 ZINC000458316821 780941263 /nfs/dbraw/zinc/94/12/63/780941263.db2.gz HXCSWNTWDOCWJI-UHFFFAOYSA-N 2 0 365.566 1.742 20 30 FDEDRP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000978765950 805752287 /nfs/dbraw/zinc/75/22/87/805752287.db2.gz ZHSSYEHLOIFCIX-XKRYSZRTSA-N 2 0 351.494 1.649 20 30 FDEDRP C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C)C1=O ZINC001105067292 795130489 /nfs/dbraw/zinc/13/04/89/795130489.db2.gz VOBNBECTZQAEGG-KZNAEPCWSA-N 2 0 364.534 1.188 20 30 FDEDRP CC[N@@H+]1CCC[C@H](NC(=O)N(C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000330239017 795418578 /nfs/dbraw/zinc/41/85/78/795418578.db2.gz IBHCYWDPTDRRIQ-FPOVZHCZSA-N 2 0 374.529 1.954 20 30 FDEDRP C[NH+]=C(NCc1nncn1-c1ccccc1)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261693043 811298935 /nfs/dbraw/zinc/29/89/35/811298935.db2.gz FIEOUEGAYIPJBK-YOEHRIQHSA-N 2 0 353.474 1.415 20 30 FDEDRP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2CC)C1=O ZINC001087711862 822163921 /nfs/dbraw/zinc/16/39/21/822163921.db2.gz BFHRVONDYLUHCW-RCCFBDPRSA-N 2 0 362.518 1.084 20 30 FDEDRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccc(C#N)s3)CC[C@@H]2C1 ZINC001087908491 823745169 /nfs/dbraw/zinc/74/51/69/823745169.db2.gz DTYODQFUCIVSQP-VKJFTORMSA-N 2 0 358.511 1.994 20 30 FDEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3C#N)CC[C@@H]2C1 ZINC001087909067 823752912 /nfs/dbraw/zinc/75/29/12/823752912.db2.gz XGBJCABXILZLQU-HSALFYBXSA-N 2 0 352.482 1.933 20 30 FDEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992471 824954144 /nfs/dbraw/zinc/95/41/44/824954144.db2.gz XHGLPQPRUPWDDL-HBFSDRIKSA-N 2 0 359.514 1.433 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4conc4C)CC[C@@H]3C2)CC1 ZINC001088212102 827493998 /nfs/dbraw/zinc/49/39/98/827493998.db2.gz PSEKFMPJDFQETJ-MOPGFXCFSA-N 2 0 370.497 1.609 20 30 FDEDRP Cc1[nH]c(C#N)cc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000448837804 829262378 /nfs/dbraw/zinc/26/23/78/829262378.db2.gz VRITVWGSOAHDFV-UHFFFAOYSA-N 2 0 352.442 1.532 20 30 FDEDRP C[NH+]=C(NCC(C)(C)[NH+]1CCC(OC)CC1)N1CCC2(C1)CCOCC2 ZINC000262795262 831474569 /nfs/dbraw/zinc/47/45/69/831474569.db2.gz PJKWYHPGMFWCFL-UHFFFAOYSA-N 2 0 366.550 1.954 20 30 FDEDRP CC[NH+]=C(NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCN(C(C)=O)CC1 ZINC000263108235 832413001 /nfs/dbraw/zinc/41/30/01/832413001.db2.gz DCOWQEYVJLSZQT-CALCHBBNSA-N 2 0 365.566 1.873 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105669449 844221180 /nfs/dbraw/zinc/22/11/80/844221180.db2.gz RRFFUKMJBLEQHQ-UKAVVXHISA-N 2 0 363.546 1.708 20 30 FDEDRP C=CCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105658966 842500568 /nfs/dbraw/zinc/50/05/68/842500568.db2.gz LNPIPLOPLVRCIF-LFGUQSLTSA-N 2 0 351.535 1.870 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[N@@H+](C)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105666705 843296888 /nfs/dbraw/zinc/29/68/88/843296888.db2.gz IMAJKJAXRWGJHP-JYBIWHBTSA-N 2 0 351.535 1.870 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCC[NH+]3CCCC3)[C@H]2C(C)C)C[C@H]1O ZINC001105672638 845184727 /nfs/dbraw/zinc/18/47/27/845184727.db2.gz CDGDEVVUWCVAIJ-RMVXJAJNSA-N 2 0 361.530 1.462 20 30 FDEDRP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000669032121 860844608 /nfs/dbraw/zinc/84/46/08/860844608.db2.gz AXEBRRURQXELOS-MLHJIOFPSA-N 2 0 374.533 1.919 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000916658568 882003333 /nfs/dbraw/zinc/00/33/33/882003333.db2.gz SJCMMTBQGJZAMP-FQEVSTJZSA-N 2 0 368.525 1.948 20 30 FDEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001106571424 875985275 /nfs/dbraw/zinc/98/52/75/875985275.db2.gz ZWKWDCGMAQKMDU-KZNAEPCWSA-N 2 0 364.534 1.095 20 30 FDEDRP C=CCN1CC[C@@H]([N@H+](C)CCCC[NH+](C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000282112534 876961472 /nfs/dbraw/zinc/96/14/72/876961472.db2.gz XCBRHFAVDFQVEC-HDICACEKSA-N 2 0 362.518 1.204 20 30 FDEDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)c3ccc(C#N)cc3)cn2)CC1 ZINC000763241463 878297710 /nfs/dbraw/zinc/29/77/10/878297710.db2.gz MJEDHHCFPJILAM-LJQANCHMSA-N 2 0 351.454 1.528 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)nc2)CC1 ZINC000919966270 886473058 /nfs/dbraw/zinc/47/30/58/886473058.db2.gz DAXHUZKQGMKMQA-UHFFFAOYSA-N 2 0 369.513 1.185 20 30 FDEDRP C#CCN(C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000920274308 886798674 /nfs/dbraw/zinc/79/86/74/886798674.db2.gz MYDFWVOIQWPHES-UHFFFAOYSA-N 2 0 368.525 1.825 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000923375331 889044381 /nfs/dbraw/zinc/04/43/81/889044381.db2.gz JOYPPYDLCTWTFX-RLLQIKCJSA-N 2 0 359.470 1.516 20 30 FDEDRP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 ZINC000923531074 889632029 /nfs/dbraw/zinc/63/20/29/889632029.db2.gz NLPNTAZLLXSMJF-LJASKYJCSA-N 2 0 368.268 1.940 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3cccc(C)c3)C[C@H]2O)CC1 ZINC001078227190 898428963 /nfs/dbraw/zinc/42/89/63/898428963.db2.gz NHZGPJZELYGYNW-IOMROCGXSA-N 2 0 369.509 1.563 20 30 FDEDRP C#CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001079147060 901971916 /nfs/dbraw/zinc/97/19/16/901971916.db2.gz UVQKSEIXRJZMSV-XUVXKRRUSA-N 2 0 355.482 1.035 20 30 FDEDRP C#CC[NH+]1CCC2(CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079268085 902319445 /nfs/dbraw/zinc/31/94/45/902319445.db2.gz LZWQQPOPJZCYBM-RBUKOAKNSA-N 2 0 359.514 1.291 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079726466 903146682 /nfs/dbraw/zinc/14/66/82/903146682.db2.gz XDYUUIWOJRVXQT-XNFNUYLZSA-N 2 0 370.497 1.866 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001082741824 909941314 /nfs/dbraw/zinc/94/13/14/909941314.db2.gz DUHKZXKRTHMHIC-FRQCXROJSA-N 2 0 370.497 1.845 20 30 FDEDRP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N ZINC000998796535 911697175 /nfs/dbraw/zinc/69/71/75/911697175.db2.gz PQUZNJJJMNRKGQ-YOODTLSXSA-N 2 0 370.497 1.986 20 30 FDEDRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccc(C#N)s4)[C@H]3C2)C1 ZINC001085092801 920807864 /nfs/dbraw/zinc/80/78/64/920807864.db2.gz QSSXBPAJIFXERC-RKVPGOIHSA-N 2 0 358.511 1.994 20 30 FDEDRP C=CC[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](CC=C)C(C)C)CC1)C(C)C ZINC000771790656 930891508 /nfs/dbraw/zinc/89/15/08/930891508.db2.gz FILCSLSCVVGKPL-UHFFFAOYSA-N 2 0 364.534 1.450 20 30 FDEDRP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129686166 938485282 /nfs/dbraw/zinc/48/52/82/938485282.db2.gz YGLNQCAXZIZYPI-SQNIBIBYSA-N 2 0 362.522 1.684 20 30 FDEDRP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129856166 938529017 /nfs/dbraw/zinc/52/90/17/938529017.db2.gz ZGPAHOKJAHALMC-MKXGPGLRSA-N 2 0 374.533 1.706 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1n1ccnn1 ZINC001130134045 938708880 /nfs/dbraw/zinc/70/88/80/938708880.db2.gz PSCREXYRFJVDOG-MOPGFXCFSA-N 2 0 368.485 1.571 20 30 FDEDRP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCC[NH+](C)C)CC1 ZINC001130307046 938804834 /nfs/dbraw/zinc/80/48/34/938804834.db2.gz GJXJUOIDTIFZFI-XLIONFOSSA-N 2 0 364.534 1.380 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130611113 939908756 /nfs/dbraw/zinc/90/87/56/939908756.db2.gz YNNHLQIMVBHVMU-ZIFCJYIRSA-N 2 0 357.502 1.202 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130603110 939914947 /nfs/dbraw/zinc/91/49/47/939914947.db2.gz ZISNETGBIUTZJE-LZLYRXPVSA-N 2 0 363.481 1.007 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1c1cn(C)cn1 ZINC001130649806 939944922 /nfs/dbraw/zinc/94/49/22/939944922.db2.gz UBEZYQXSQFOMSU-WSTZPKSXSA-N 2 0 371.529 1.449 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130672369 939971422 /nfs/dbraw/zinc/97/14/22/939971422.db2.gz OTYMTQOBZRFIMH-JENIJYKNSA-N 2 0 359.518 1.755 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130675565 939973558 /nfs/dbraw/zinc/97/35/58/939973558.db2.gz WAASHUNOZJYFNZ-UHOSZYNNSA-N 2 0 359.518 1.448 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1c1cncn1C ZINC001131031612 940469258 /nfs/dbraw/zinc/46/92/58/940469258.db2.gz TXZUNBCSJMJGQL-QZTJIDSGSA-N 2 0 362.437 1.289 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001131070168 940484300 /nfs/dbraw/zinc/48/43/00/940484300.db2.gz JCOWEOXLMRDBGO-KZNAEPCWSA-N 2 0 359.518 1.612 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1c1cncn1C ZINC001131125951 940507998 /nfs/dbraw/zinc/50/79/98/940507998.db2.gz OYJUQPHOHDKCKY-RTBURBONSA-N 2 0 371.529 1.594 20 30 FDEDRP C#C[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(C)(C)C ZINC000808256520 940532912 /nfs/dbraw/zinc/53/29/12/940532912.db2.gz SQLUMPHANZYNAO-SFHVURJKSA-N 2 0 357.502 1.941 20 30 FDEDRP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001131495792 940647080 /nfs/dbraw/zinc/64/70/80/940647080.db2.gz FBEUERQJXRYJKM-AQNXPRMDSA-N 2 0 359.514 1.337 20 30 FDEDRP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001131510314 940658946 /nfs/dbraw/zinc/65/89/46/940658946.db2.gz AONRJJJHSUVLOF-KURKYZTESA-N 2 0 353.482 1.285 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1ccc(OC)cc1 ZINC001090874828 947484029 /nfs/dbraw/zinc/48/40/29/947484029.db2.gz UIDHITLUEKQBJE-VQTJNVASSA-N 2 0 355.482 1.697 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000845006048 948585582 /nfs/dbraw/zinc/58/55/82/948585582.db2.gz BNFFVMGRMKAMPG-UHFFFAOYSA-N 2 0 364.493 1.984 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1c1cnn(C)c1 ZINC001086985248 953001741 /nfs/dbraw/zinc/00/17/41/953001741.db2.gz AEEXIFZQPKQPRY-RBUKOAKNSA-N 2 0 364.453 1.760 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1c1cnn(C)c1 ZINC001086985917 953004524 /nfs/dbraw/zinc/00/45/24/953004524.db2.gz LEAGLLJMPJANPK-IPMKNSEASA-N 2 0 359.518 1.611 20 30 FDEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092842628 956471761 /nfs/dbraw/zinc/47/17/61/956471761.db2.gz HUIGWRRXZKRICH-YDZJUHGASA-N 2 0 353.894 1.286 20 30 FDEDRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001094222738 960052679 /nfs/dbraw/zinc/05/26/79/960052679.db2.gz JMGMYOZKBSWNEU-CRAIPNDOSA-N 2 0 358.461 1.977 20 30 FDEDRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC001094223254 960054198 /nfs/dbraw/zinc/05/41/98/960054198.db2.gz VIVJNAZQZONTAF-IEBWSBKVSA-N 2 0 370.497 1.869 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3ncccn3)[C@H](C)C2)CC1 ZINC001094240139 960159614 /nfs/dbraw/zinc/15/96/14/960159614.db2.gz RCUAEMYRPDPOKZ-SJLPKXTDSA-N 2 0 355.486 1.006 20 30 FDEDRP C=C(C[NH+]1CCCC1)C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001183043724 962756480 /nfs/dbraw/zinc/75/64/80/962756480.db2.gz WYNMYGPFTPMJBC-OKZBNKHCSA-N 2 0 371.485 1.086 20 30 FDEDRP O=C(C#CC1CC[NH2+]CC1)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000852796271 967614542 /nfs/dbraw/zinc/61/45/42/967614542.db2.gz OORCHAXLUNUCDX-SFHVURJKSA-N 2 0 355.438 1.537 20 30 FDEDRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852872656 967678885 /nfs/dbraw/zinc/67/88/85/967678885.db2.gz JQQXTVJIWOYUFH-UHFFFAOYSA-N 2 0 368.525 1.443 20 30 FDEDRP Cc1ccc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1C#N ZINC001201310606 975003416 /nfs/dbraw/zinc/00/34/16/975003416.db2.gz VQBODKFRFADWGZ-UHFFFAOYSA-N 2 0 366.531 1.761 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@H]1C[NH+](C)C ZINC000867589540 976446086 /nfs/dbraw/zinc/44/60/86/976446086.db2.gz QBZYNWKPGYAJLF-HUUCEWRRSA-N 2 0 368.478 1.057 20 30 FDEDRP CC[NH+](CC)CCN(CCOC)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867960740 977144739 /nfs/dbraw/zinc/14/47/39/977144739.db2.gz PGAIDBPRUYLQBM-IBGZPJMESA-N 2 0 358.486 1.562 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000849108438 977319459 /nfs/dbraw/zinc/31/94/59/977319459.db2.gz SMCORVMYUAKDGG-UHFFFAOYSA-N 2 0 365.566 1.530 20 30 FDEDRP [NH2+]=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CCOCC1 ZINC000132410427 982337297 /nfs/dbraw/zinc/33/72/97/982337297.db2.gz YFLSZEWNEQSKRM-UHFFFAOYSA-N 2 0 357.502 1.366 20 30 FDEDRP C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[N@@H+]1CCc2ccccc2C1 ZINC000884205097 982980996 /nfs/dbraw/zinc/98/09/96/982980996.db2.gz MMEDHNVHBRGZPG-MMXVYOJRSA-N 2 0 352.482 1.689 20 30 FDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC1(C[NH+]3CCOCC3)CCCCC1)C2 ZINC000884229749 983003678 /nfs/dbraw/zinc/00/36/78/983003678.db2.gz ZHNPAFURVBEDQO-WBTXTPOCSA-N 2 0 374.529 1.525 20 30 FDEDRP C#CCN1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000884308313 983072432 /nfs/dbraw/zinc/07/24/32/983072432.db2.gz LRQSVVBYNBTSOW-VQTJNVASSA-N 2 0 354.498 1.905 20 30 FDEDRP Cc1nc(N2CCOCC2)ccc1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884315447 983077431 /nfs/dbraw/zinc/07/74/31/983077431.db2.gz PDWNUAIJOJFFST-XAUUPUKJSA-N 2 0 355.442 1.305 20 30 FDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000884316207 983078076 /nfs/dbraw/zinc/07/80/76/983078076.db2.gz MHDOPEBMSYLLTG-OHTSDLOESA-N 2 0 353.470 1.554 20 30 FDEDRP Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364757159 989772121 /nfs/dbraw/zinc/77/21/21/989772121.db2.gz PKLUEDJBEBCYEK-INIZCTEOSA-N 2 0 369.469 1.090 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCCC2CC[NH+](C(C)C)CC2)CC1 ZINC000875182806 991021991 /nfs/dbraw/zinc/02/19/91/991021991.db2.gz ZBHIYYVFGAHCPE-UHFFFAOYSA-N 2 0 364.534 1.380 20 30 FDEDRP C#C[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccc(F)cc1 ZINC000875724022 991947982 /nfs/dbraw/zinc/94/79/82/991947982.db2.gz RVPWHOWWOWGVSC-ZHALLVOQSA-N 2 0 360.477 1.881 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C[C@H]1C[NH+](C)C ZINC000876281568 992521292 /nfs/dbraw/zinc/52/12/92/992521292.db2.gz SXECIVVZPCSZSL-VAMGGRTRSA-N 2 0 369.513 1.406 20 30 FDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000876780360 992906123 /nfs/dbraw/zinc/90/61/23/992906123.db2.gz FRGXDVBDNZPSEC-SFHVURJKSA-N 2 0 364.921 1.780 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000876973989 992991580 /nfs/dbraw/zinc/99/15/80/992991580.db2.gz UWCGMBWSOJXGHU-HKUYNNGSSA-N 2 0 354.454 1.115 20 30 FDEDRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)O1 ZINC001095610820 993781099 /nfs/dbraw/zinc/78/10/99/993781099.db2.gz XBFCADNITFOMCX-JIKAWYKTSA-N 2 0 368.481 1.499 20 30 FDEDRP COc1ccc(C#N)cc1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000878498919 993987811 /nfs/dbraw/zinc/98/78/11/993987811.db2.gz OONWSGKMISTJLW-HZPDHXFCSA-N 2 0 359.474 1.770 20 30 FDEDRP COCC[N@H+](C[C@H](O)CC1(C#N)CCOCC1)CC1CC[NH+](C)CC1 ZINC000879125709 994560017 /nfs/dbraw/zinc/56/00/17/994560017.db2.gz GPQYTMHRSWOOPW-GOSISDBHSA-N 2 0 353.507 1.348 20 30 FDEDRP COC[C@H](C)NC(=[NH2+])NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000264109150 997402576 /nfs/dbraw/zinc/40/25/76/997402576.db2.gz OIFKPWDJQANPAT-INIZCTEOSA-N 2 0 363.506 1.147 20 30 FDEDRP CC1CC[NH+](CCCCNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1 ZINC000264120744 997406894 /nfs/dbraw/zinc/40/68/94/997406894.db2.gz USFOSVZXPASOHU-UHFFFAOYSA-N 2 0 359.522 1.425 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccncc1OC[C@H]1CCOC1 ZINC000287012953 999954063 /nfs/dbraw/zinc/95/40/63/999954063.db2.gz FWMCPPLLEXFEIY-DOTOQJQBSA-N 2 0 361.490 1.386 20 30 FDEDRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(C#N)s4)C[C@H]32)CC[N@@H+]1C ZINC000959970044 1009231114 /nfs/dbraw/zinc/23/11/14/1009231114.db2.gz ZAGAAZDEGJEMFF-QXDIGNSFSA-N 2 0 358.511 1.896 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccc(C)cc1)N1CCOCC1 ZINC000303867186 1009643299 /nfs/dbraw/zinc/64/32/99/1009643299.db2.gz CTKXAOQDPLVQRI-PMACEKPBSA-N 2 0 373.545 1.757 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000303889884 1009676935 /nfs/dbraw/zinc/67/69/35/1009676935.db2.gz MGOPOKLGSHEINI-JFIYKMOQSA-N 2 0 374.533 1.584 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000304697746 1010444511 /nfs/dbraw/zinc/44/45/11/1010444511.db2.gz IVFLEJNJTUTPQP-KRWDZBQOSA-N 2 0 361.534 1.613 20 30 FDEDRP C[NH+]=C(NCc1ccc(N2CCCC2=O)cc1)N[C@H]1CCN(C2CC2)C1 ZINC000083134117 1011798430 /nfs/dbraw/zinc/79/84/30/1011798430.db2.gz QCMHFCPXBWWSQZ-INIZCTEOSA-N 2 0 355.486 1.715 20 30 FDEDRP N#Cc1cnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000295406323 184067771 /nfs/dbraw/zinc/06/77/71/184067771.db2.gz CTPINECXEKFIKO-UHFFFAOYSA-N 2 0 367.413 1.881 20 30 FDEDRP C[NH+]1CCN(CCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181418477 174223517 /nfs/dbraw/zinc/22/35/17/174223517.db2.gz YGRIBASGMPLQTA-UHFFFAOYSA-N 2 0 355.530 1.750 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000556652905 544168865 /nfs/dbraw/zinc/16/88/65/544168865.db2.gz AYEORHACKIBRBL-LJQANCHMSA-N 2 0 372.513 1.481 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000557731985 544337783 /nfs/dbraw/zinc/33/77/83/544337783.db2.gz JJFPILQNLOKRGP-QGZVFWFLSA-N 2 0 350.507 1.086 20 30 FDEDRP C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000328960399 259069079 /nfs/dbraw/zinc/06/90/79/259069079.db2.gz QJGKVACXCBPXNZ-LMNJBCLMSA-N 2 0 372.513 1.256 20 30 FDEDRP C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000329075889 259075868 /nfs/dbraw/zinc/07/58/68/259075868.db2.gz AOUBJUQULVQNIT-SJORKVTESA-N 2 0 370.497 1.952 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000172351754 524207951 /nfs/dbraw/zinc/20/79/51/524207951.db2.gz CCSPLUDDULZZKH-INIZCTEOSA-N 2 0 350.507 1.437 20 30 FDEDRP CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])N[C@H]2CCOc3ccccc32)CC1 ZINC000083032523 524234995 /nfs/dbraw/zinc/23/49/95/524234995.db2.gz OWWJHZHKFKCFTP-AEFFLSMTSA-N 2 0 359.518 1.688 20 30 FDEDRP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N(C)Cc1ccc2c(c1)OCO2 ZINC000088802506 524474217 /nfs/dbraw/zinc/47/42/17/524474217.db2.gz AGOQBUAGEXMLTK-MRXNPFEDSA-N 2 0 361.490 1.058 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000176154485 525058520 /nfs/dbraw/zinc/05/85/20/525058520.db2.gz DTZXZZZGDHDJBE-KRWDZBQOSA-N 2 0 350.507 1.391 20 30 FDEDRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000119294440 525697072 /nfs/dbraw/zinc/69/70/72/525697072.db2.gz GRUPZQFLJWOWPR-LJQANCHMSA-N 2 0 360.502 1.062 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc(COc2ccccc2)n[nH]1 ZINC000184654477 536173546 /nfs/dbraw/zinc/17/35/46/536173546.db2.gz PKYCTJQRINJPKE-CQSZACIVSA-N 2 0 357.462 1.272 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1CN1CCCC1=O ZINC000264106110 537137678 /nfs/dbraw/zinc/13/76/78/537137678.db2.gz PLBPPWDPOKZHBC-GOSISDBHSA-N 2 0 357.502 1.698 20 30 FDEDRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000264297477 537140719 /nfs/dbraw/zinc/14/07/19/537140719.db2.gz QVOBAYOUCSGINM-GOSISDBHSA-N 2 0 357.502 1.845 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000363823882 537330667 /nfs/dbraw/zinc/33/06/67/537330667.db2.gz OGOBXOHOJGXBSE-IBGZPJMESA-N 2 0 363.550 1.447 20 30 FDEDRP C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@H]1[NH+](C)C ZINC000330226426 537651778 /nfs/dbraw/zinc/65/17/78/537651778.db2.gz OUALNAWYZOZSKL-DDBAPUKQSA-N 2 0 352.523 1.550 20 30 FDEDRP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000573721964 550200811 /nfs/dbraw/zinc/20/08/11/550200811.db2.gz QRKMLJSEOHPOHK-QGZVFWFLSA-N 2 0 351.539 1.533 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)CC1 ZINC000574264527 550285472 /nfs/dbraw/zinc/28/54/72/550285472.db2.gz VFIREDRKMMLWAM-WMZOPIPTSA-N 2 0 373.501 1.449 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)CC2)c1 ZINC000593721562 552182247 /nfs/dbraw/zinc/18/22/47/552182247.db2.gz PQKXMPRRJDWSGK-AZUAARDMSA-N 2 0 367.497 1.916 20 30 FDEDRP C[C@@H]1[NH2+]CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H]1C ZINC000593722791 552182633 /nfs/dbraw/zinc/18/26/33/552182633.db2.gz YXUFFWILCIYYCG-HOTGVXAUSA-N 2 0 355.486 1.914 20 30 FDEDRP C[NH+](C)CCn1c2cc(NC(=O)[C@H]([NH3+])CCCCC#N)ccc2oc1=O ZINC000594436311 552309955 /nfs/dbraw/zinc/30/99/55/552309955.db2.gz CZEVKIHNHBHUDE-CQSZACIVSA-N 2 0 359.430 1.506 20 30 FDEDRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)nc2)CC1 ZINC000594439183 552310340 /nfs/dbraw/zinc/31/03/40/552310340.db2.gz PDHRVIJSJCTSCY-KRWDZBQOSA-N 2 0 358.490 1.962 20 30 FDEDRP Cc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(C#N)c(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)n1 ZINC000596214135 552665539 /nfs/dbraw/zinc/66/55/39/552665539.db2.gz NFCHTZHJPXWQED-USTZCAOPSA-N 2 0 366.513 1.257 20 30 FDEDRP CN(CCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)CC[NH+](C)C ZINC000598918519 552944971 /nfs/dbraw/zinc/94/49/71/552944971.db2.gz JSAVNQBBBSDYAV-UHFFFAOYSA-N 2 0 354.502 1.932 20 30 FDEDRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000610993041 554591792 /nfs/dbraw/zinc/59/17/92/554591792.db2.gz ALIULGZALZIJRQ-UHFFFAOYSA-N 2 0 357.502 1.869 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)C(C)C ZINC000621844699 556169251 /nfs/dbraw/zinc/16/92/51/556169251.db2.gz VPXYSDBBSJVJBR-HLIPFELVSA-N 2 0 362.518 1.141 20 30 FDEDRP C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000636707550 567877584 /nfs/dbraw/zinc/87/75/84/567877584.db2.gz OYZMBXSKDOPYCU-MRXNPFEDSA-N 2 0 364.534 1.380 20 30 FDEDRP CC[NH+](CC)[C@H](C)CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089120429 671491716 /nfs/dbraw/zinc/49/17/16/671491716.db2.gz IHHGSPNSDMPRCQ-CABCVRRESA-N 2 0 353.511 1.597 20 30 FDEDRP C[NH+]1CCC(CCNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000104181114 671594999 /nfs/dbraw/zinc/59/49/99/671594999.db2.gz BDAASYVQUILUGL-UHFFFAOYSA-N 2 0 353.511 1.586 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(F)(F)CNC(=O)OC(C)(C)C ZINC000186871333 672276792 /nfs/dbraw/zinc/27/67/92/672276792.db2.gz GRHZTZDZOUROGZ-GFCCVEGCSA-N 2 0 363.453 1.535 20 30 FDEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH+]CC)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000261656875 672644364 /nfs/dbraw/zinc/64/43/64/672644364.db2.gz AFYZOVXSXXUEGU-HNNXBMFYSA-N 2 0 358.552 1.193 20 30 FDEDRP CC[NH+]=C(NC[C@H]1CC[N@H+](CC)C1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261658770 672644865 /nfs/dbraw/zinc/64/48/65/672644865.db2.gz BLRHFLLTGQOERM-MRXNPFEDSA-N 2 0 351.539 1.625 20 30 FDEDRP CCc1nsc(N2CCN(C(NC[C@@H]3CC[N@@H+](CC)C3)=[NH+]C)CC2)n1 ZINC000261694243 672652926 /nfs/dbraw/zinc/65/29/26/672652926.db2.gz FKUFKTAMHIUUJZ-AWEZNQCLSA-N 2 0 365.551 1.140 20 30 FDEDRP C[NH+]=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000261764726 672667727 /nfs/dbraw/zinc/66/77/27/672667727.db2.gz OPOVHISELBYXDB-ILXRZTDVSA-N 2 0 361.456 1.520 20 30 FDEDRP CC[NH+]=C(NCC1(CO)CCOCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000261835921 672680831 /nfs/dbraw/zinc/68/08/31/672680831.db2.gz OPNLWPWZDYPLRO-KRWDZBQOSA-N 2 0 352.523 1.301 20 30 FDEDRP C[NH+]=C(NCCN1CCc2sccc2C1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261957165 672701951 /nfs/dbraw/zinc/70/19/51/672701951.db2.gz JCJUSBHYHLZQNG-RHSMWYFYSA-N 2 0 361.559 1.754 20 30 FDEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N(C)Cc1cc(Cl)cn1C ZINC000261960433 672702384 /nfs/dbraw/zinc/70/23/84/672702384.db2.gz KAAGEPBMSGSULQ-MRXNPFEDSA-N 2 0 352.914 1.076 20 30 FDEDRP CC[NH+]=C(NCCC1CC[NH+](CC)CC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261979772 672706072 /nfs/dbraw/zinc/70/60/72/672706072.db2.gz OPVNLHPXXMFBBH-UHFFFAOYSA-N 2 0 372.579 1.583 20 30 FDEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)NCC1(N2CCOCC2)CCCCC1 ZINC000262943941 672855476 /nfs/dbraw/zinc/85/54/76/672855476.db2.gz AJGXKBFBDXHMQV-QGZVFWFLSA-N 2 0 351.539 1.138 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)Nc1ccc(F)c(F)c1F ZINC000264107566 672901636 /nfs/dbraw/zinc/90/16/36/672901636.db2.gz OESCECUYDMBPMD-JTQLQIEISA-N 2 0 357.380 1.431 20 30 FDEDRP CC[NH+]1CCN(c2ccc(CNC(=[NH2+])N3CCSCC3)cc2F)CC1 ZINC000304743902 676544085 /nfs/dbraw/zinc/54/40/85/676544085.db2.gz DLKLIXJATHQMPG-UHFFFAOYSA-N 2 0 365.522 1.831 20 30 FDEDRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@H]2O)CC1 ZINC000328848453 676609672 /nfs/dbraw/zinc/60/96/72/676609672.db2.gz WAOOQZRFBUIALD-RCCFBDPRSA-N 2 0 353.507 1.678 20 30 FDEDRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000329399128 676637156 /nfs/dbraw/zinc/63/71/56/676637156.db2.gz YHLUYLUHGSGGJW-INIZCTEOSA-N 2 0 369.579 1.097 20 30 FDEDRP C[NH+](C)C1(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCCC1 ZINC000330184796 676677346 /nfs/dbraw/zinc/67/73/46/676677346.db2.gz QYGROOWLKIDZAW-SJORKVTESA-N 2 0 352.523 1.742 20 30 FDEDRP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000373872717 678068053 /nfs/dbraw/zinc/06/80/53/678068053.db2.gz SBFIHXCMHPLJGD-NUJGCVRESA-N 2 0 350.507 1.435 20 30 FDEDRP CCN(C[C@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000409591210 678865151 /nfs/dbraw/zinc/86/51/51/678865151.db2.gz IYMRUCQABVTCSQ-IAGOWNOFSA-N 2 0 373.567 1.061 20 30 FDEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000527373820 694668823 /nfs/dbraw/zinc/66/88/23/694668823.db2.gz QQLWOLCWCIXPEK-UHFFFAOYSA-N 2 0 365.865 1.102 20 30 FDEDRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000969705389 770693912 /nfs/dbraw/zinc/69/39/12/770693912.db2.gz XLZUIAHXJYGSCE-JXXFODFXSA-N 2 0 370.497 1.866 20 30 FDEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccnn2C)C1 ZINC001104306058 774438486 /nfs/dbraw/zinc/43/84/86/774438486.db2.gz IUWLIMNOPSGIOM-LMMKCTJWSA-N 2 0 357.502 1.092 20 30 FDEDRP CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#CCOC)C1)[NH+](CC)CC ZINC001112528970 805932570 /nfs/dbraw/zinc/93/25/70/805932570.db2.gz YNFNTWGTXYVZHN-ZVDOUQERSA-N 2 0 363.546 1.975 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])C(C)C ZINC000659702641 789535699 /nfs/dbraw/zinc/53/56/99/789535699.db2.gz UNUNWWLHKRLUCS-FGTMMUONSA-N 2 0 364.534 1.387 20 30 FDEDRP COc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1C#N ZINC001027891875 806860720 /nfs/dbraw/zinc/86/07/20/806860720.db2.gz JXMMILQFIRCDFM-AYOQOUSVSA-N 2 0 370.497 1.988 20 30 FDEDRP C[NH+]=C(NCc1cccnc1-n1ccnc1C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261931062 811346930 /nfs/dbraw/zinc/34/69/30/811346930.db2.gz BJIIUCFFADJUOR-MAUKXSAKSA-N 2 0 369.517 1.969 20 30 FDEDRP Cc1nnc(CNC(=[NH+]C2CCCC2)N2CC[C@@H]([NH+]3CC=CC3)C2)n1C ZINC000261966571 811355918 /nfs/dbraw/zinc/35/59/18/811355918.db2.gz LPPPPEGTBVYAFA-QGZVFWFLSA-N 2 0 357.506 1.458 20 30 FDEDRP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N1CC[C@H](Oc2ccccn2)C1 ZINC000262015761 811367458 /nfs/dbraw/zinc/36/74/58/811367458.db2.gz XRALZNWKAPZHNJ-INIZCTEOSA-N 2 0 361.490 1.221 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000419736766 812160980 /nfs/dbraw/zinc/16/09/80/812160980.db2.gz XHHDHHYFXNEGMD-SJLPKXTDSA-N 2 0 362.518 1.134 20 30 FDEDRP C#CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001087476907 818393731 /nfs/dbraw/zinc/39/37/31/818393731.db2.gz LRTDRCUDSSXVLR-GIVPXCGWSA-N 2 0 369.509 1.944 20 30 FDEDRP CN(CC[N@H+](C)CCC(=O)Nc1ccccc1C#N)C1CC[NH+](C)CC1 ZINC000267480903 822083342 /nfs/dbraw/zinc/08/33/42/822083342.db2.gz SNIIEYWQMNDPJI-UHFFFAOYSA-N 2 0 357.502 1.845 20 30 FDEDRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001087828438 822520550 /nfs/dbraw/zinc/52/05/50/822520550.db2.gz LGLQNSGOODQWFE-YTQUADARSA-N 2 0 370.497 1.988 20 30 FDEDRP C[N@@H+]1C[C@H]2CCN(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)[C@@H]2C1 ZINC000895594311 822667285 /nfs/dbraw/zinc/66/72/85/822667285.db2.gz NXCDMAGUKAEMJV-UYAOXDASSA-N 2 0 367.497 1.868 20 30 FDEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001087969251 824259898 /nfs/dbraw/zinc/25/98/98/824259898.db2.gz KNVFGUGDXWLGOL-MHTWAQMVSA-N 2 0 373.541 1.537 20 30 FDEDRP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)[C@@H]2C1 ZINC000329272088 824707815 /nfs/dbraw/zinc/70/78/15/824707815.db2.gz IKFSIRDBSJUUMN-OWYHZJEWSA-N 2 0 364.534 1.694 20 30 FDEDRP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)ncn1 ZINC000329305826 824725351 /nfs/dbraw/zinc/72/53/51/824725351.db2.gz YLIDQWFYVKFRHG-ARFHVFGLSA-N 2 0 373.505 1.427 20 30 FDEDRP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1=CC[N@H+](C)CC1 ZINC000329341345 824745687 /nfs/dbraw/zinc/74/56/87/824745687.db2.gz OXDSCOXSZOHJTP-IPELMVKDSA-N 2 0 364.534 1.908 20 30 FDEDRP CC[NH+]=C(NCc1oc2ccccc2c1C)NC[C@H]1C[NH+]2CCN1CC2 ZINC000262821946 831544984 /nfs/dbraw/zinc/54/49/84/831544984.db2.gz YPEYKSURNKJRPD-INIZCTEOSA-N 2 0 355.486 1.796 20 30 FDEDRP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105669202 844145826 /nfs/dbraw/zinc/14/58/26/844145826.db2.gz PUMOOUAAQZAEFD-HNBVOPMISA-N 2 0 351.535 1.870 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105659007 842500268 /nfs/dbraw/zinc/50/02/68/842500268.db2.gz LRKBGCXIVLCEIL-ANTGDGSKSA-N 2 0 363.546 1.870 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105672640 845184908 /nfs/dbraw/zinc/18/49/08/845184908.db2.gz CDGDEVVUWCVAIJ-VURPSTOHSA-N 2 0 361.530 1.462 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000481881130 847068408 /nfs/dbraw/zinc/06/84/08/847068408.db2.gz ZDVPIDMIJUFAJL-SJORKVTESA-N 2 0 364.534 1.380 20 30 FDEDRP C[NH+](C)CCCCC(=O)N1CCN(C(=O)CCCC[NH+](C)C)[C@H](C#N)C1 ZINC000912535984 859872136 /nfs/dbraw/zinc/87/21/36/859872136.db2.gz PZKHKEIOVMXWEM-QGZVFWFLSA-N 2 0 365.522 1.013 20 30 FDEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112116218 864070885 /nfs/dbraw/zinc/07/08/85/864070885.db2.gz QVBSBDLUFQUGDH-HUUCEWRRSA-N 2 0 363.424 1.652 20 30 FDEDRP COc1ccc(C#N)cc1CN1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001088860060 864785733 /nfs/dbraw/zinc/78/57/33/864785733.db2.gz UPBTUXFFEMIQHM-MDZRGWNJSA-N 2 0 370.497 1.988 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000916658569 882002599 /nfs/dbraw/zinc/00/25/99/882002599.db2.gz SJCMMTBQGJZAMP-HXUWFJFHSA-N 2 0 368.525 1.948 20 30 FDEDRP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001106312434 874749147 /nfs/dbraw/zinc/74/91/47/874749147.db2.gz HGSGQJBVXDLCCV-KZNAEPCWSA-N 2 0 366.550 1.435 20 30 FDEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001106728464 877034096 /nfs/dbraw/zinc/03/40/96/877034096.db2.gz FYECLSJGPFEOID-FGTMMUONSA-N 2 0 364.534 1.237 20 30 FDEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](n2ccnn2)C1 ZINC001129103923 885703623 /nfs/dbraw/zinc/70/36/23/885703623.db2.gz XCHMEUKIABLGQO-MSOLQXFVSA-N 2 0 365.441 1.547 20 30 FDEDRP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001212458318 893701683 /nfs/dbraw/zinc/70/16/83/893701683.db2.gz FBOOTEPDTSBMMT-KZNAEPCWSA-N 2 0 367.534 1.515 20 30 FDEDRP C#CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259624 902295917 /nfs/dbraw/zinc/29/59/17/902295917.db2.gz LADVENWXBADGBS-ZWKOTPCHSA-N 2 0 359.514 1.291 20 30 FDEDRP C=CCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259667 902296415 /nfs/dbraw/zinc/29/64/15/902296415.db2.gz MZWGOWRWKIQWIC-CEXWTWQISA-N 2 0 361.530 1.844 20 30 FDEDRP C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609164 905959426 /nfs/dbraw/zinc/95/94/26/905959426.db2.gz FXOVUFPZAVRMGV-IEBWSBKVSA-N 2 0 353.507 1.128 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001082520671 908220042 /nfs/dbraw/zinc/22/00/42/908220042.db2.gz MFQCITMHBWAPTE-BCXHYRKLSA-N 2 0 358.461 1.974 20 30 FDEDRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2C)cc1C#N ZINC001082559874 908615465 /nfs/dbraw/zinc/61/54/65/908615465.db2.gz RJXCBGFRRJALFT-DJKXOVBDSA-N 2 0 370.497 1.844 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001082719646 909816227 /nfs/dbraw/zinc/81/62/27/909816227.db2.gz ZMJDKCVXRQOSEZ-DNVCBOLYSA-N 2 0 370.497 1.845 20 30 FDEDRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001082719785 909818807 /nfs/dbraw/zinc/81/88/07/909818807.db2.gz LZTMQWLTPQSSMG-AUUYWEPGSA-N 2 0 358.461 1.976 20 30 FDEDRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001082863173 910528224 /nfs/dbraw/zinc/52/82/24/910528224.db2.gz QNHZSQUZFIZVND-RDTXWAMCSA-N 2 0 356.445 1.730 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000734275257 923156441 /nfs/dbraw/zinc/15/64/41/923156441.db2.gz KVARAEOEHUMXCS-SFHVURJKSA-N 2 0 350.507 1.579 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nccn2C)CC1 ZINC001085432889 924681471 /nfs/dbraw/zinc/68/14/71/924681471.db2.gz UZAKNWWXHVNKOY-QZTJIDSGSA-N 2 0 357.502 1.282 20 30 FDEDRP C#CCN(CC#CC)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000745789580 927405938 /nfs/dbraw/zinc/40/59/38/927405938.db2.gz NCZLWFMKPHLXOC-UHFFFAOYSA-N 2 0 353.470 1.262 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001112586352 931773232 /nfs/dbraw/zinc/77/32/32/931773232.db2.gz VKYCLFJTUAUJAO-ZWOKBUDYSA-N 2 0 364.534 1.236 20 30 FDEDRP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001086588273 933607481 /nfs/dbraw/zinc/60/74/81/933607481.db2.gz NCHGMBWTKNJIES-PWRODBHTSA-N 2 0 351.494 1.936 20 30 FDEDRP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001086588277 933607900 /nfs/dbraw/zinc/60/79/00/933607900.db2.gz NHUDKZHDQCLNGW-PCCBWWKXSA-N 2 0 351.494 1.936 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC#CC)C[C@H]2c2ccccc2)CC1 ZINC001086625176 938511094 /nfs/dbraw/zinc/51/10/94/938511094.db2.gz NTMCBDUFIDGDJR-FCHUYYIVSA-N 2 0 363.505 1.939 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001129942908 938570848 /nfs/dbraw/zinc/57/08/48/938570848.db2.gz HWZYNRGYPJEBBI-FGTMMUONSA-N 2 0 358.490 1.070 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000804892901 938610986 /nfs/dbraw/zinc/61/09/86/938610986.db2.gz ZXBJFJGJJVOBAC-UHFFFAOYSA-N 2 0 372.513 1.473 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1n1ccnn1 ZINC001130088803 938675217 /nfs/dbraw/zinc/67/52/17/938675217.db2.gz JNGAZUACYGNGAO-AEFFLSMTSA-N 2 0 369.473 1.361 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1n1ccnn1 ZINC001130125339 938696239 /nfs/dbraw/zinc/69/62/39/938696239.db2.gz IGCARKHUFYVROE-MSOLQXFVSA-N 2 0 360.506 1.462 20 30 FDEDRP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123499 938705657 /nfs/dbraw/zinc/70/56/57/938705657.db2.gz SZCYYXVAQSVIBG-KSZLIROESA-N 2 0 360.506 1.318 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1c1cn(C)cn1 ZINC001130596828 939904072 /nfs/dbraw/zinc/90/40/72/939904072.db2.gz RVTAMEGUXHVRMJ-WSTZPKSXSA-N 2 0 371.529 1.612 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1c1cn(C)cn1 ZINC001130622042 939920521 /nfs/dbraw/zinc/92/05/21/939920521.db2.gz MOOWETWBSPOOQI-DFQSSKMNSA-N 2 0 371.529 1.448 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130734649 940035193 /nfs/dbraw/zinc/03/51/93/940035193.db2.gz XVZDIEILEAVUSW-DFQSSKMNSA-N 2 0 371.529 1.448 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1c1cncn1C ZINC001131003812 940429902 /nfs/dbraw/zinc/42/99/02/940429902.db2.gz QWWHHINVYMCPGG-IXDOHACOSA-N 2 0 365.497 1.560 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1c1cncn1C ZINC001131026132 940459713 /nfs/dbraw/zinc/45/97/13/940459713.db2.gz WMPRPQAGOSUHFG-QZTJIDSGSA-N 2 0 362.437 1.289 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1c1cncn1C ZINC001131070075 940484328 /nfs/dbraw/zinc/48/43/28/940484328.db2.gz DYFITKOILYBASR-KZNAEPCWSA-N 2 0 359.518 1.755 20 30 FDEDRP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001131495789 940647182 /nfs/dbraw/zinc/64/71/82/940647182.db2.gz DZIJCVWWVOMFIF-ZCNNSNEGSA-N 2 0 359.514 1.337 20 30 FDEDRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000819092125 943416637 /nfs/dbraw/zinc/41/66/37/943416637.db2.gz RUTORQOEKSVCGL-SFHVURJKSA-N 2 0 370.522 1.985 20 30 FDEDRP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196251585 971568892 /nfs/dbraw/zinc/56/88/92/971568892.db2.gz LEJLBEJTGAGSIR-GUDVDZBRSA-N 2 0 369.550 1.619 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC000125827758 951180488 /nfs/dbraw/zinc/18/04/88/951180488.db2.gz IOHSRQRJSWEIJL-CALCHBBNSA-N 2 0 352.523 1.778 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC[C@@H]3CCOC3)C2)CC1 ZINC001086882304 952913866 /nfs/dbraw/zinc/91/38/66/952913866.db2.gz KXNZDQXXEXYNSJ-WSTZPKSXSA-N 2 0 361.530 1.633 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1c1cnn(C)c1 ZINC001087000811 953051931 /nfs/dbraw/zinc/05/19/31/953051931.db2.gz PJUXMLBRHUOQTM-NZSAHSFTSA-N 2 0 359.518 1.755 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1c1cnn(C)c1 ZINC001087000920 953053309 /nfs/dbraw/zinc/05/33/09/953053309.db2.gz VLHVXEIWKMPDII-YTQUADARSA-N 2 0 357.502 1.202 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001087011382 953103791 /nfs/dbraw/zinc/10/37/91/953103791.db2.gz UDNRLXDXLPAJKH-IPMKNSEASA-N 2 0 359.518 1.611 20 30 FDEDRP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@H+](CC#Cc1ccccc1)C2 ZINC001092203385 954530253 /nfs/dbraw/zinc/53/02/53/954530253.db2.gz NEJDVCHUYZCXQP-IRLDBZIGSA-N 2 0 363.505 1.914 20 30 FDEDRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ccc(F)c(C#N)c4)C[C@@]3(C)C2)C1 ZINC001092272256 954652214 /nfs/dbraw/zinc/65/22/14/954652214.db2.gz BGYYTRPVAKUDKN-BLIXFSHQSA-N 2 0 370.472 1.929 20 30 FDEDRP COc1ccc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@H](C)C2)cc1C#N ZINC001093193943 957751571 /nfs/dbraw/zinc/75/15/71/957751571.db2.gz QVJLVVTWBBBYDQ-HHXXYDBFSA-N 2 0 370.497 1.703 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+]([C@@H](C)c3ncccn3)C[C@H]2C)CC1 ZINC001093223582 957853085 /nfs/dbraw/zinc/85/30/85/957853085.db2.gz BUKKXPVIVQEGOS-ZIFCJYIRSA-N 2 0 369.513 1.567 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3nocc3C)C[C@H]2C)CC1 ZINC001093224227 957853890 /nfs/dbraw/zinc/85/38/90/957853890.db2.gz OGSRDRYXSFZNPB-CRAIPNDOSA-N 2 0 358.486 1.512 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C(C)C)C[C@H]1O ZINC001093475295 958252515 /nfs/dbraw/zinc/25/25/15/958252515.db2.gz XENGORZMKPPXSU-DCXXXQMHSA-N 2 0 361.530 1.624 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccn4c[nH+]cc4c3)[C@H]2C(C)C)C[C@H]1O ZINC001093452967 958260026 /nfs/dbraw/zinc/26/00/26/958260026.db2.gz RLJVSNPUCXNDDR-BNDYYXHWSA-N 2 0 366.465 1.547 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3ccn4c[nH+]cc4c3)[C@H]2C(C)C)C[C@H]1O ZINC001093452968 958260930 /nfs/dbraw/zinc/26/09/30/958260930.db2.gz RLJVSNPUCXNDDR-WERVVEIQSA-N 2 0 366.465 1.547 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](OCC)C2CC2)CC1 ZINC001110147226 958335188 /nfs/dbraw/zinc/33/51/88/958335188.db2.gz QGFHIAWGGOQCDK-IVAOSVALSA-N 2 0 373.541 1.868 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3nccc(C)n3)[C@H](C)C2)CC1 ZINC001094239801 960158398 /nfs/dbraw/zinc/15/83/98/960158398.db2.gz DQAZPBDTXZYURI-VQIMIIECSA-N 2 0 369.513 1.314 20 30 FDEDRP C=C(C[NH+]1CCCC1)C(=O)NC1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001183080487 962781661 /nfs/dbraw/zinc/78/16/61/962781661.db2.gz RVLUNNBVLUGVHQ-UHFFFAOYSA-N 2 0 351.491 1.736 20 30 FDEDRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]21 ZINC001189801680 967304053 /nfs/dbraw/zinc/30/40/53/967304053.db2.gz JDGXGQTYSNAVLI-RBUKOAKNSA-N 2 0 356.470 1.169 20 30 FDEDRP COc1cc(CNC(=O)C#CC2CC[NH2+]CC2)ccc1OCC[NH+](C)C ZINC000852861521 967667567 /nfs/dbraw/zinc/66/75/67/967667567.db2.gz WSYXGHLLSDJJCF-UHFFFAOYSA-N 2 0 359.470 1.255 20 30 FDEDRP O=C(C#CC1CC[NH2+]CC1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000852867930 967673317 /nfs/dbraw/zinc/67/33/17/967673317.db2.gz HZNXSQODZPISGH-UHFFFAOYSA-N 2 0 355.482 1.780 20 30 FDEDRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)C#CC2CC[NH2+]CC2)cc1 ZINC000852889227 967692250 /nfs/dbraw/zinc/69/22/50/967692250.db2.gz QMXDBDUCBYODSR-HXUWFJFHSA-N 2 0 355.482 1.951 20 30 FDEDRP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001192977727 969415774 /nfs/dbraw/zinc/41/57/74/969415774.db2.gz JSBPMMCHHZGWLE-QXAKKESOSA-N 2 0 365.518 1.005 20 30 FDEDRP C=CCOC(=O)N1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001194311458 970098044 /nfs/dbraw/zinc/09/80/44/970098044.db2.gz NVZUTUMYDRJBEA-UHFFFAOYSA-N 2 0 350.507 1.485 20 30 FDEDRP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001194321412 970103286 /nfs/dbraw/zinc/10/32/86/970103286.db2.gz VPKBXFQOJDMIPG-IAGOWNOFSA-N 2 0 353.507 1.003 20 30 FDEDRP C[NH+](C)C1(CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)Cc2ccccc2C1 ZINC000867964009 977147800 /nfs/dbraw/zinc/14/78/00/977147800.db2.gz ZRGCTCMLXQVXRL-NRFANRHFSA-N 2 0 374.488 1.960 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000849081902 977307059 /nfs/dbraw/zinc/30/70/59/977307059.db2.gz PQNYPYYEWFGVPR-RRFJBIMHSA-N 2 0 364.494 1.344 20 30 FDEDRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[C@@H](C)C1 ZINC000884221217 982995588 /nfs/dbraw/zinc/99/55/88/982995588.db2.gz MNBFWYUTLXZFMJ-HPBYLSSESA-N 2 0 362.518 1.379 20 30 FDEDRP CN1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000884319696 983081236 /nfs/dbraw/zinc/08/12/36/983081236.db2.gz BGOREZQGPULTGK-BHUKSZIXSA-N 2 0 374.435 1.966 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000363343688 989110954 /nfs/dbraw/zinc/11/09/54/989110954.db2.gz XUVHTQUMQJAUHS-HDICACEKSA-N 2 0 361.530 1.679 20 30 FDEDRP C[NH+]1CCN(C[C@H]2CCC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000363455795 989216191 /nfs/dbraw/zinc/21/61/91/989216191.db2.gz GRESSRZOFOGLLY-WOJBJXKFSA-N 2 0 372.513 1.257 20 30 FDEDRP C#CC[N@H+](C)CCCNC(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000296660451 989350641 /nfs/dbraw/zinc/35/06/41/989350641.db2.gz NXCWNHGAZHLCIT-LJQANCHMSA-N 2 0 358.486 1.008 20 30 FDEDRP C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(OCC#N)cc1 ZINC000371508494 990489189 /nfs/dbraw/zinc/48/91/89/990489189.db2.gz JUKMDHXWLOTZMY-PKOBYXMFSA-N 2 0 358.486 1.646 20 30 FDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000876740273 992857482 /nfs/dbraw/zinc/85/74/82/992857482.db2.gz KGGMTDKPKOJPGT-HNNXBMFYSA-N 2 0 352.866 1.064 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000876767838 992891574 /nfs/dbraw/zinc/89/15/74/992891574.db2.gz PZYIKHXZMYZTDI-OXJNMPFZSA-N 2 0 368.481 1.362 20 30 FDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000876780991 992906759 /nfs/dbraw/zinc/90/67/59/992906759.db2.gz LLVDRZZOOHVSOK-QZTJIDSGSA-N 2 0 364.921 1.951 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000876954010 992981177 /nfs/dbraw/zinc/98/11/77/992981177.db2.gz AUEQVTHSWCPEFH-ICSRJNTNSA-N 2 0 368.481 1.458 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000876982376 992995670 /nfs/dbraw/zinc/99/56/70/992995670.db2.gz ZMCMACLTGHSENV-HXUWFJFHSA-N 2 0 352.482 1.983 20 30 FDEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000264076323 997396881 /nfs/dbraw/zinc/39/68/81/997396881.db2.gz FSZSSZYAZWBCNZ-CALCHBBNSA-N 2 0 359.522 1.281 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000267416847 999329756 /nfs/dbraw/zinc/32/97/56/999329756.db2.gz JMWHNCDWZZQLCH-LJQANCHMSA-N 3 0 373.545 1.532 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000267453831 999340114 /nfs/dbraw/zinc/34/01/14/999340114.db2.gz SFWKALYTYFHAGB-LJQANCHMSA-N 3 0 373.545 1.532 20 30 FDEDRP COc1ccc(NC(=[NH2+])NCc2ccnc(OCC[NH+](C)C)c2)cc1OC ZINC000270615071 999585688 /nfs/dbraw/zinc/58/56/88/999585688.db2.gz ZHZLOCZZZOGDEI-UHFFFAOYSA-N 2 0 373.457 1.966 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000271688395 999725376 /nfs/dbraw/zinc/72/53/76/999725376.db2.gz DVNFFYFRQUIJHC-UHFFFAOYSA-N 2 0 355.482 1.927 20 30 FDEDRP O=c1[nH]ccc2c1CN(CC#CC[N@@H+]1CCc3cc[nH]c(=O)c3C1)CC2 ZINC000284056003 999775675 /nfs/dbraw/zinc/77/56/75/999775675.db2.gz JWVDHNGPICJMEF-UHFFFAOYSA-N 2 0 350.422 1.308 20 30 FDEDRP C[N@H+](CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)C1CCCC1 ZINC000089120878 1006011228 /nfs/dbraw/zinc/01/12/28/1006011228.db2.gz ONCINDQHMGSVLQ-MRXNPFEDSA-N 2 0 365.522 1.741 20 30 FDEDRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]32)CC[N@@H+]1C ZINC000959968031 1009227118 /nfs/dbraw/zinc/22/71/18/1009227118.db2.gz RAUQWWOCUDSTRB-CENDIDJXSA-N 2 0 352.482 1.835 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000550121564 543012870 /nfs/dbraw/zinc/01/28/70/543012870.db2.gz MHBDLGBZLSILTH-UHFFFAOYSA-N 2 0 358.486 1.131 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000551217803 543253629 /nfs/dbraw/zinc/25/36/29/543253629.db2.gz WTHKBVNJIANZNF-FGTMMUONSA-N 2 0 364.534 1.400 20 30 FDEDRP C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)CN1CC[NH+](C)CC1 ZINC000180169441 258363568 /nfs/dbraw/zinc/36/35/68/258363568.db2.gz BOXSCYBHHWVPDA-QGZVFWFLSA-N 2 0 366.513 1.932 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CCC)C2)CC1 ZINC000553395543 543625779 /nfs/dbraw/zinc/62/57/79/543625779.db2.gz KWTINMJSALPUKM-QGZVFWFLSA-N 2 0 364.534 1.333 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000559777388 544794697 /nfs/dbraw/zinc/79/46/97/544794697.db2.gz WQOVJYKKTJTGOT-INIZCTEOSA-N 2 0 350.507 1.134 20 30 FDEDRP CC(C)C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)C(=O)NCC[NH+](C)C ZINC000560256325 544928474 /nfs/dbraw/zinc/92/84/74/544928474.db2.gz GNRPJDMFRUQRDQ-KRWDZBQOSA-N 2 0 356.474 1.388 20 30 FDEDRP C[N@@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000052589839 523214812 /nfs/dbraw/zinc/21/48/12/523214812.db2.gz NBMJCUUXDAKLED-LJQANCHMSA-N 2 0 355.486 1.870 20 30 FDEDRP C#CCCOc1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000092615746 524898989 /nfs/dbraw/zinc/89/89/89/524898989.db2.gz CMADQWXKKZHORD-UHFFFAOYSA-N 2 0 357.498 1.979 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000104180142 525398337 /nfs/dbraw/zinc/39/83/37/525398337.db2.gz KPTOUOJGRWOTMJ-XLIONFOSSA-N 2 0 373.545 1.796 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000106349266 525699438 /nfs/dbraw/zinc/69/94/38/525699438.db2.gz ZAUVCIFODHFNIA-UHFFFAOYSA-N 2 0 358.486 1.843 20 30 FDEDRP CN(CC[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1)C1CC[NH+](C)CC1 ZINC000119316580 525705979 /nfs/dbraw/zinc/70/59/79/525705979.db2.gz QJBYFIPNWGYKEO-FQEVSTJZSA-N 2 0 374.529 1.450 20 30 FDEDRP CC[N@@H+]1CC[C@H](CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000305024066 537597938 /nfs/dbraw/zinc/59/79/38/537597938.db2.gz OVOQEFMFCNEVPK-HUUCEWRRSA-N 2 0 351.495 1.209 20 30 FDEDRP C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000371265888 537797389 /nfs/dbraw/zinc/79/73/89/537797389.db2.gz GLFVZZMUYDFQFE-MSOLQXFVSA-N 2 0 369.513 1.845 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2CC)CC1 ZINC000561413810 545838938 /nfs/dbraw/zinc/83/89/38/545838938.db2.gz JLONZMKXOAUTJL-SFHVURJKSA-N 2 0 364.534 1.524 20 30 FDEDRP N#CCCC[C@@H]([NH3+])C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000563094557 546400540 /nfs/dbraw/zinc/40/05/40/546400540.db2.gz NWOWDMLCXDHRQE-GOSISDBHSA-N 2 0 371.485 1.150 20 30 FDEDRP CSC1(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC[NH+](C)CC1 ZINC000564445754 546916008 /nfs/dbraw/zinc/91/60/08/546916008.db2.gz IBFRQYRHXXDCKQ-UHFFFAOYSA-N 2 0 368.528 1.144 20 30 FDEDRP N#CCCC[C@H]([NH3+])C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000567786857 548258236 /nfs/dbraw/zinc/25/82/36/548258236.db2.gz NIUUAGDOAWIBCV-IBGZPJMESA-N 2 0 357.502 1.726 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000583770488 551399714 /nfs/dbraw/zinc/39/97/14/551399714.db2.gz FWEQEFHOXYMABC-HZPDHXFCSA-N 2 0 350.507 1.132 20 30 FDEDRP N#CCc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000591741253 551905279 /nfs/dbraw/zinc/90/52/79/551905279.db2.gz DIKHERHHEBKWGS-AZUAARDMSA-N 2 0 373.497 1.583 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccsc1C#N ZINC000593539644 552126965 /nfs/dbraw/zinc/12/69/65/552126965.db2.gz DMZUTNRAUXEUQO-CQSZACIVSA-N 2 0 370.544 1.656 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H](CC[NH3+])C(F)F)CC2)c1 ZINC000593716112 552181288 /nfs/dbraw/zinc/18/12/88/552181288.db2.gz PMOZFVSWUDCXOP-MRXNPFEDSA-N 2 0 365.428 1.804 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)c1 ZINC000593717178 552181681 /nfs/dbraw/zinc/18/16/81/552181681.db2.gz YJKGQGYTBGWNJQ-IBGZPJMESA-N 2 0 371.485 1.200 20 30 FDEDRP C[NH2+][C@H]1CCCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593720972 552182504 /nfs/dbraw/zinc/18/25/04/552182504.db2.gz NTWLZZIYIZRJLH-IBGZPJMESA-N 2 0 355.486 1.916 20 30 FDEDRP C[NH+]1CCN(C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c2ccccc2)CC1 ZINC000594438089 552309979 /nfs/dbraw/zinc/30/99/79/552309979.db2.gz GITOLUJUJLUTRC-MOPGFXCFSA-N 2 0 357.502 1.503 20 30 FDEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000598720242 552927929 /nfs/dbraw/zinc/92/79/29/552927929.db2.gz MNWDQLMRRXCPKE-QGZVFWFLSA-N 2 0 360.506 1.269 20 30 FDEDRP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602844321 553649185 /nfs/dbraw/zinc/64/91/85/553649185.db2.gz AMQDUEQXYWDGHL-IBGZPJMESA-N 2 0 352.438 1.905 20 30 FDEDRP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602848870 553650712 /nfs/dbraw/zinc/65/07/12/553650712.db2.gz OUVPNIAFAWHPRO-IBGZPJMESA-N 2 0 352.438 1.905 20 30 FDEDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(CC#N)c1 ZINC000619497470 555789375 /nfs/dbraw/zinc/78/93/75/555789375.db2.gz AYZSLXDOYBKQAK-UHFFFAOYSA-N 2 0 364.515 1.399 20 30 FDEDRP CC[NH+]=C(NCC1([NH+](C)C)CCOCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000088620928 671489825 /nfs/dbraw/zinc/48/98/25/671489825.db2.gz KEFDBODBAUMGJE-XHSDSOJGSA-N 2 0 352.523 1.466 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCn1cc(Br)cn1 ZINC000286970755 675910710 /nfs/dbraw/zinc/91/07/10/675910710.db2.gz CBUNOHMOCZYFQP-CYBMUJFWSA-N 2 0 357.300 1.424 20 30 FDEDRP C[NH+]=C(NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)NCCN1CCOCC1 ZINC000104170124 671594723 /nfs/dbraw/zinc/59/47/23/671594723.db2.gz MMHOGXKWNJFELU-HDICACEKSA-N 2 0 353.555 1.242 20 30 FDEDRP [NH2+]=C(NCCC[NH+]1CCC(O)CC1)NCc1cccc(C(F)(F)F)c1 ZINC000266967583 673225564 /nfs/dbraw/zinc/22/55/64/673225564.db2.gz CAIVKNQAFMGJJN-UHFFFAOYSA-N 2 0 358.408 1.957 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)c1ccc(Cl)cc1 ZINC000303784020 676543156 /nfs/dbraw/zinc/54/31/56/676543156.db2.gz OWMONMDHOLRKLQ-OAHLLOKOSA-N 2 0 351.882 1.458 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000303864781 676543344 /nfs/dbraw/zinc/54/33/44/676543344.db2.gz BFKJPPFXAUJVGT-OAHLLOKOSA-N 2 0 353.511 1.634 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000305000636 676544841 /nfs/dbraw/zinc/54/48/41/676544841.db2.gz HCXCOLBTGWNJPD-HUUCEWRRSA-N 2 0 351.495 1.351 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000368519583 677500233 /nfs/dbraw/zinc/50/02/33/677500233.db2.gz SGOXVUXRBNBQTC-AEFFLSMTSA-N 2 0 350.507 1.437 20 30 FDEDRP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420347428 680434482 /nfs/dbraw/zinc/43/44/82/680434482.db2.gz GQFIWUAAMBIMTG-IAGOWNOFSA-N 2 0 362.543 1.631 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC1 ZINC000460257927 684526472 /nfs/dbraw/zinc/52/64/72/684526472.db2.gz KEGZSDHAPPYHJH-UHFFFAOYSA-N 2 0 353.555 1.552 20 30 FDEDRP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001024444771 784706980 /nfs/dbraw/zinc/70/69/80/784706980.db2.gz CNEBMTYSWKXHGH-AQNXPRMDSA-N 2 0 361.530 1.727 20 30 FDEDRP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000978754995 805732899 /nfs/dbraw/zinc/73/28/99/805732899.db2.gz HTVFXRYOMBYPTR-XKRYSZRTSA-N 2 0 351.494 1.649 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CC4CC(C)C4)C[C@@H]32)CC1 ZINC001083283581 791182576 /nfs/dbraw/zinc/18/25/76/791182576.db2.gz JJGDAENNEHPRNA-ZYKFHVCXSA-N 2 0 359.514 1.289 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC(CC)([NH+](C)C)CC2)CC1 ZINC000636677013 806170985 /nfs/dbraw/zinc/17/09/85/806170985.db2.gz OHEWUBSRTYKGDF-UHFFFAOYSA-N 2 0 364.534 1.476 20 30 FDEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415995516 793472803 /nfs/dbraw/zinc/47/28/03/793472803.db2.gz NDJSJDRSYDBLQQ-HNNXBMFYSA-N 2 0 371.407 1.911 20 30 FDEDRP C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]2C)C1=O ZINC001104874485 794160452 /nfs/dbraw/zinc/16/04/52/794160452.db2.gz VZXTYVBSDDZICS-KURKYZTESA-N 2 0 364.534 1.189 20 30 FDEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001105025474 794966410 /nfs/dbraw/zinc/96/64/10/794966410.db2.gz XKJAOOGMGZPUGQ-WOJBJXKFSA-N 2 0 363.546 1.977 20 30 FDEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001105058338 795098021 /nfs/dbraw/zinc/09/80/21/795098021.db2.gz CDLSPWNEAVWSSZ-QZTJIDSGSA-N 2 0 364.534 1.239 20 30 FDEDRP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662336571 806474082 /nfs/dbraw/zinc/47/40/82/806474082.db2.gz ZRERHRLQLDIWFF-KRWDZBQOSA-N 2 0 372.517 1.199 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCO)CC[C@@H]2c2ccccc2)CC1 ZINC001087443741 809793092 /nfs/dbraw/zinc/79/30/92/809793092.db2.gz CEHNQSKMAVYGOV-NHCUHLMSSA-N 2 0 369.509 1.298 20 30 FDEDRP C[NH+]=C(NCc1cccnc1-n1ccnc1C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262004583 811364746 /nfs/dbraw/zinc/36/47/46/811364746.db2.gz VGWRFSJVQDFTRC-KBXCAEBGSA-N 2 0 367.501 1.723 20 30 FDEDRP C=CCC[C@@H]1NC(=O)N(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000419957062 812301883 /nfs/dbraw/zinc/30/18/83/812301883.db2.gz UVGBWKTXCNRKBS-KRWDZBQOSA-N 2 0 357.458 1.480 20 30 FDEDRP COc1cc(C#N)ccc1OCCN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367026566 814237419 /nfs/dbraw/zinc/23/74/19/814237419.db2.gz BDYPRBWYYPSGPT-HKUYNNGSSA-N 2 0 372.513 1.903 20 30 FDEDRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)NC1CC[NH+](C)CC1 ZINC000328962342 819601027 /nfs/dbraw/zinc/60/10/27/819601027.db2.gz LAKRNNZBSCNDIC-MAUKXSAKSA-N 2 0 362.522 1.743 20 30 FDEDRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000329190479 824659206 /nfs/dbraw/zinc/65/92/06/824659206.db2.gz QBRGKCUKVBJTHJ-SOLBZPMBSA-N 2 0 363.506 1.728 20 30 FDEDRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccc(C#N)c(F)c4)CC[C@@H]3C2)C1 ZINC001088200138 827434005 /nfs/dbraw/zinc/43/40/05/827434005.db2.gz QRFRUKOHYGBAJJ-QYZOEREBSA-N 2 0 370.472 1.929 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4cncn4C)CC[C@@H]3C2)CC1 ZINC001088211906 827492565 /nfs/dbraw/zinc/49/25/65/827492565.db2.gz FPKYABDWDJGXEY-MOPGFXCFSA-N 2 0 369.513 1.046 20 30 FDEDRP C#CCC[NH+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001088234464 827598166 /nfs/dbraw/zinc/59/81/66/827598166.db2.gz SMYBJGXBTSPWDX-YZGWKJHDSA-N 2 0 361.530 1.679 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCc1nc(C#N)cs1 ZINC000897302030 827779041 /nfs/dbraw/zinc/77/90/41/827779041.db2.gz CIZRROXLQFIDCO-UHFFFAOYSA-N 2 0 352.508 1.430 20 30 FDEDRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)COc3ccccc3C#N)C2)CC1 ZINC000528375898 829369729 /nfs/dbraw/zinc/36/97/29/829369729.db2.gz DOPFPVUWHKTDBG-RTBURBONSA-N 2 0 358.486 1.010 20 30 FDEDRP C[NH+]=C(NCC(C)(C)[NH+]1CCC(OC)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262824433 831551902 /nfs/dbraw/zinc/55/19/02/831551902.db2.gz ZIAZDVNQKPNLTK-QGZVFWFLSA-N 3 0 363.550 1.397 20 30 FDEDRP CC1CC[NH+](CCNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)CC1 ZINC000089120440 841706393 /nfs/dbraw/zinc/70/63/93/841706393.db2.gz XQCHZGJCSKGQAJ-INIZCTEOSA-N 2 0 365.522 1.599 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C[NH+](CC)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105661061 842653862 /nfs/dbraw/zinc/65/38/62/842653862.db2.gz DHIOOZXMHXLFEH-HNBVOPMISA-N 2 0 351.535 1.870 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000332985851 848640060 /nfs/dbraw/zinc/64/00/60/848640060.db2.gz VIMFMUKPHPYRML-OALUTQOASA-N 2 0 364.534 1.704 20 30 FDEDRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001077127608 849833549 /nfs/dbraw/zinc/83/35/49/849833549.db2.gz BNNRNXHXMFJTQQ-PWRODBHTSA-N 2 0 369.509 1.177 20 30 FDEDRP C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000668619193 854564845 /nfs/dbraw/zinc/56/48/45/854564845.db2.gz ZVWVBXKYPNHZHO-ZWKOTPCHSA-N 2 0 350.507 1.084 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C(F)(F)F ZINC001112110338 863725657 /nfs/dbraw/zinc/72/56/57/863725657.db2.gz KICWZLCWXPGXME-HZSPNIEDSA-N 2 0 351.388 1.669 20 30 FDEDRP C#CCN(C(=O)NCc1ccc(OCC[NH+](C)C)cc1)C1CC[NH+](C)CC1 ZINC000914025433 870379433 /nfs/dbraw/zinc/37/94/33/870379433.db2.gz QJPRUYAIXQNBKX-UHFFFAOYSA-N 2 0 372.513 1.866 20 30 FDEDRP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106250023 874131506 /nfs/dbraw/zinc/13/15/06/874131506.db2.gz WAUNZHWEUCPYLW-DFBGVHRSSA-N 2 0 358.324 1.919 20 30 FDEDRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1 ZINC001106860199 881177511 /nfs/dbraw/zinc/17/75/11/881177511.db2.gz NJEBYBSCSLWEFH-VAMGGRTRSA-N 2 0 363.546 1.975 20 30 FDEDRP C#CCN(C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)C1CC[NH+](C)CC1 ZINC000918857447 884963167 /nfs/dbraw/zinc/96/31/67/884963167.db2.gz OTRQJUVYQXZOGR-LJQANCHMSA-N 2 0 362.518 1.369 20 30 FDEDRP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001129003829 884990677 /nfs/dbraw/zinc/99/06/77/884990677.db2.gz IWQSMIXRSYXFSR-MLHJIOFPSA-N 2 0 360.506 1.316 20 30 FDEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204545 886370911 /nfs/dbraw/zinc/37/09/11/886370911.db2.gz IFFSFAKVXYVYHD-MSOLQXFVSA-N 2 0 364.538 1.932 20 30 FDEDRP C=C(C[NH+](C)C)C(=O)N(C)[C@H]1CC[C@H](N(C)C(=O)C(=C)C[NH+](C)C)CC1 ZINC000923134563 888120604 /nfs/dbraw/zinc/12/06/04/888120604.db2.gz HGPISCCPTBFKAQ-IYARVYRRSA-N 2 0 364.534 1.450 20 30 FDEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001112543859 889645718 /nfs/dbraw/zinc/64/57/18/889645718.db2.gz ZZTHSAVOPGFHGN-ICSRJNTNSA-N 2 0 359.518 1.853 20 30 FDEDRP C=CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)nn2)C1 ZINC000999986727 896517076 /nfs/dbraw/zinc/51/70/76/896517076.db2.gz JZIULMVKRSXTQM-FGTMMUONSA-N 2 0 360.506 1.448 20 30 FDEDRP C#CCC[NH+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]3COC[C@@H]32)CC1 ZINC001079270210 902327661 /nfs/dbraw/zinc/32/76/61/902327661.db2.gz HBXZDQWFBAABSO-ZWKOTPCHSA-N 2 0 357.498 1.045 20 30 FDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079270324 902328730 /nfs/dbraw/zinc/32/87/30/902328730.db2.gz MSSBVEATPNFQIM-CEXWTWQISA-N 2 0 361.530 1.844 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1c1ccccc1F ZINC001079295422 902398960 /nfs/dbraw/zinc/39/89/60/902398960.db2.gz GFQBGFLBOLSUAS-WSTZPKSXSA-N 2 0 355.457 1.685 20 30 FDEDRP C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)nn2)C1 ZINC001107172645 903548800 /nfs/dbraw/zinc/54/88/00/903548800.db2.gz FLDGPZBAQSNETQ-ZWKOTPCHSA-N 2 0 360.506 1.448 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001082557655 908591856 /nfs/dbraw/zinc/59/18/56/908591856.db2.gz WKVREGLLMGDRAV-CRAIPNDOSA-N 2 0 370.497 1.988 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082559957 908616020 /nfs/dbraw/zinc/61/60/20/908616020.db2.gz UOQZLWORXMWANQ-ZNOIYHFQSA-N 2 0 358.461 1.974 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC001082559872 908616317 /nfs/dbraw/zinc/61/63/17/908616317.db2.gz RJBKGAJPSNTDNM-UPRAQXHNSA-N 2 0 358.461 1.974 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=C)Br)C2)CC1 ZINC001082941493 911017125 /nfs/dbraw/zinc/01/71/25/911017125.db2.gz TWXBEQWHEXMSEM-CZUORRHYSA-N 2 0 368.319 1.677 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)nc3)C2)CC1 ZINC001082941563 911017200 /nfs/dbraw/zinc/01/72/00/911017200.db2.gz XUOKQIMMFKKNPP-VQIMIIECSA-N 2 0 370.497 1.372 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000998794540 911692302 /nfs/dbraw/zinc/69/23/02/911692302.db2.gz ARMOXEQIOJOFQC-YOODTLSXSA-N 2 0 370.497 1.986 20 30 FDEDRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cccc(C#N)c4)[C@H]3C2)C1 ZINC001085092957 920810399 /nfs/dbraw/zinc/81/03/99/920810399.db2.gz XRQYRBIKNQGDFZ-AQNXPRMDSA-N 2 0 352.482 1.933 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCCOC2)CC1 ZINC001085432971 924681216 /nfs/dbraw/zinc/68/12/16/924681216.db2.gz ZNRVAARRSUYYKT-MISYRCLQSA-N 2 0 361.530 1.775 20 30 FDEDRP C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@@H+](C)CCC)C2 ZINC001112567398 931640894 /nfs/dbraw/zinc/64/08/94/931640894.db2.gz MODWGNHHMCUDLO-PXNSSMCTSA-N 2 0 364.534 1.239 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCOC)C2)CC1 ZINC001112584190 931782076 /nfs/dbraw/zinc/78/20/76/931782076.db2.gz FVWJGCWBVQISSC-FPOVZHCZSA-N 2 0 361.530 1.586 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCC)C2)CC1 ZINC001112584717 931786654 /nfs/dbraw/zinc/78/66/54/931786654.db2.gz GLINSXWGQOSCHE-FPOVZHCZSA-N 2 0 361.530 1.586 20 30 FDEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129453823 938420978 /nfs/dbraw/zinc/42/09/78/938420978.db2.gz KUAWWCLAAZFIFA-MSOLQXFVSA-N 2 0 360.506 1.462 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129900074 938559815 /nfs/dbraw/zinc/55/98/15/938559815.db2.gz ZPIYACLDJOMDHH-KURKYZTESA-N 2 0 360.506 1.460 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001129980208 938595429 /nfs/dbraw/zinc/59/54/29/938595429.db2.gz DNLFHOOVZCTNKV-FJIDUMEYSA-N 2 0 360.506 1.316 20 30 FDEDRP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130009363 938626144 /nfs/dbraw/zinc/62/61/44/938626144.db2.gz LDBPQBOAEJFZHK-SQNIBIBYSA-N 2 0 364.538 1.930 20 30 FDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001130091336 938676687 /nfs/dbraw/zinc/67/66/87/938676687.db2.gz MZWZAMOJUZQYNB-BBWFWOEESA-N 2 0 358.490 1.070 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1c1cn(C)cn1 ZINC001130649652 939944931 /nfs/dbraw/zinc/94/49/31/939944931.db2.gz ROSBTRBRRQPOCJ-WSTZPKSXSA-N 2 0 371.529 1.449 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1c1cncn1C ZINC001131003277 940429743 /nfs/dbraw/zinc/42/97/43/940429743.db2.gz BILKVGHSCONPJO-KZNAEPCWSA-N 2 0 357.502 1.202 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001131007666 940433880 /nfs/dbraw/zinc/43/38/80/940433880.db2.gz FGVNXGPMSYNGEA-GUDVDZBRSA-N 2 0 371.529 1.590 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1c1cncn1C ZINC001131054135 940480933 /nfs/dbraw/zinc/48/09/33/940480933.db2.gz TXFSARFCHMADQZ-IPMKNSEASA-N 2 0 371.529 1.449 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1c1cncn1C ZINC001131072426 940485410 /nfs/dbraw/zinc/48/54/10/940485410.db2.gz YGFBGGUFHNOYGX-IAGOWNOFSA-N 2 0 357.502 1.059 20 30 FDEDRP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001131526272 940711072 /nfs/dbraw/zinc/71/10/72/940711072.db2.gz JNNNBTFREBAXJP-UXHICEINSA-N 2 0 366.465 1.957 20 30 FDEDRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000819139707 943435768 /nfs/dbraw/zinc/43/57/68/943435768.db2.gz HQQQNYQUFINGTN-LJQANCHMSA-N 2 0 372.513 1.808 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1ccc(OC)cc1 ZINC001090878172 947547138 /nfs/dbraw/zinc/54/71/38/947547138.db2.gz KYDPPJCLPQSMLD-VQTJNVASSA-N 2 0 355.482 1.554 20 30 FDEDRP CC#CC[N@@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)c2)C1 ZINC001091401078 951574285 /nfs/dbraw/zinc/57/42/85/951574285.db2.gz SCALOWBFDAYMCM-LSTHTHJFSA-N 2 0 370.497 1.514 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccnn3C)C2)CC1 ZINC001086882375 952913954 /nfs/dbraw/zinc/91/39/54/952913954.db2.gz OGOCZTANYSPAOK-FUHWJXTLSA-N 2 0 357.502 1.140 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccnc3)C2)CC1 ZINC001086882511 952914277 /nfs/dbraw/zinc/91/42/77/952914277.db2.gz UGWSNIGZOAJCRN-FXAWDEMLSA-N 2 0 354.498 1.801 20 30 FDEDRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)C1 ZINC001092273994 954660164 /nfs/dbraw/zinc/66/01/64/954660164.db2.gz YNVRBJSFEGKNAA-SBHAEUEKSA-N 2 0 352.482 1.790 20 30 FDEDRP C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093132858 957616203 /nfs/dbraw/zinc/61/62/03/957616203.db2.gz CTGPJHHNYGNRNX-IEBWSBKVSA-N 2 0 369.484 1.957 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001093470813 958230910 /nfs/dbraw/zinc/23/09/10/958230910.db2.gz ZZMFWJSMBCGZEX-UKAVVXHISA-N 2 0 361.530 1.318 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c[nH+]ccc3N(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001093470948 958231469 /nfs/dbraw/zinc/23/14/69/958231469.db2.gz AQJMMBSKUMHYQR-RDPOXOKHSA-N 2 0 370.497 1.361 20 30 FDEDRP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C(C)C)C[C@H]1O ZINC001093453028 958261607 /nfs/dbraw/zinc/26/16/07/958261607.db2.gz SEMSEUHPAAWBLB-SOAMZJECSA-N 2 0 361.530 1.767 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F ZINC001094219469 960037161 /nfs/dbraw/zinc/03/71/61/960037161.db2.gz LTHOXFFJICXNRB-UWWQBHOKSA-N 2 0 358.461 1.833 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3nccnc3C)[C@H](C)C2)CC1 ZINC001094240094 960159248 /nfs/dbraw/zinc/15/92/48/960159248.db2.gz ODUKAQDJNQWHEM-VQIMIIECSA-N 2 0 369.513 1.314 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH3+])C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173426580 962136039 /nfs/dbraw/zinc/13/60/39/962136039.db2.gz JNZFJKVJJQAJAG-UHFFFAOYSA-N 2 0 371.529 1.765 20 30 FDEDRP N#Cc1ccccc1CN1CCCC[C@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001183838886 963304396 /nfs/dbraw/zinc/30/43/96/963304396.db2.gz NKBNFQLRVMSVST-KRWDZBQOSA-N 2 0 356.474 1.374 20 30 FDEDRP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001188518612 966355570 /nfs/dbraw/zinc/35/55/70/966355570.db2.gz XWTOOGJYCALDSO-QFBILLFUSA-N 2 0 367.453 1.616 20 30 FDEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001189391037 966935489 /nfs/dbraw/zinc/93/54/89/966935489.db2.gz OGPLWDGJPCJDSS-ZIFCJYIRSA-N 2 0 359.518 1.946 20 30 FDEDRP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001189470435 966982247 /nfs/dbraw/zinc/98/22/47/966982247.db2.gz IAFQVTFBOUIYHH-AZUAARDMSA-N 2 0 370.497 1.963 20 30 FDEDRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21 ZINC001189793887 967270448 /nfs/dbraw/zinc/27/04/48/967270448.db2.gz JOQAOXQIZOQCPT-RBUKOAKNSA-N 2 0 356.470 1.169 20 30 FDEDRP O=C(C#CC1CC[NH2+]CC1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000852869803 967675479 /nfs/dbraw/zinc/67/54/79/967675479.db2.gz MCNDVHUZHXMCKA-UHFFFAOYSA-N 2 0 355.482 1.263 20 30 FDEDRP C[NH+]1CCN(C[C@H](NC(=O)C#CC2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000852873417 967680499 /nfs/dbraw/zinc/68/04/99/967680499.db2.gz VGTLUQONSBAOMS-FQEVSTJZSA-N 2 0 354.498 1.094 20 30 FDEDRP C[NH+](C)CCOc1ccc(CCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1 ZINC000884211492 982987878 /nfs/dbraw/zinc/98/78/78/982987878.db2.gz GAJIJZXFDKADFD-IDYZSHNDSA-N 2 0 370.497 1.425 20 30 FDEDRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)C2)cc1 ZINC000884465911 983171395 /nfs/dbraw/zinc/17/13/95/983171395.db2.gz MSCDJKMVNZQOQQ-LSNYBQGISA-N 2 0 352.482 1.825 20 30 FDEDRP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000871050810 986617499 /nfs/dbraw/zinc/61/74/99/986617499.db2.gz KDCNOUHXAMBWDZ-MLHJIOFPSA-N 2 0 372.517 1.530 20 30 FDEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374786239 992942228 /nfs/dbraw/zinc/94/22/28/992942228.db2.gz ZBEUSZWQVZIVHM-HNNXBMFYSA-N 2 0 359.474 1.630 20 30 FDEDRP C[NH+]1CCC(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)CC1 ZINC000878951562 994379291 /nfs/dbraw/zinc/37/92/91/994379291.db2.gz KOCHIRYZIUWADJ-UHFFFAOYSA-N 2 0 356.470 1.364 20 30 FDEDRP C[NH+]1CCC(NC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)CC1 ZINC000879053267 994496831 /nfs/dbraw/zinc/49/68/31/994496831.db2.gz BQDDIXVVGDTWBM-UHFFFAOYSA-N 2 0 356.470 1.364 20 30 FDEDRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=[NH2+])NC3CCCC3)c2)C1 ZINC000267417847 999330404 /nfs/dbraw/zinc/33/04/04/999330404.db2.gz JQFZSGHKOFOMQY-QGZVFWFLSA-N 2 0 357.502 1.731 20 30 FDEDRP C[C@@H]([NH2+]C(C)(C)CNC(=[NH2+])NCCCN1CCOCC1)c1ccccc1 ZINC000267457905 999341222 /nfs/dbraw/zinc/34/12/22/999341222.db2.gz UBOMXHOSIBRSNQ-QGZVFWFLSA-N 2 0 361.534 1.742 20 30 FDEDRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000269480369 999468670 /nfs/dbraw/zinc/46/86/70/999468670.db2.gz WGZAWNZIAZUVRN-KRWDZBQOSA-N 2 0 359.522 1.281 20 30 FDEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000271686794 999725127 /nfs/dbraw/zinc/72/51/27/999725127.db2.gz QMDWDCOHQARBSW-VQIMIIECSA-N 2 0 358.486 1.682 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000286354444 999943967 /nfs/dbraw/zinc/94/39/67/999943967.db2.gz BPQMZNXMCPFTAX-QGZVFWFLSA-N 2 0 372.513 1.390 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000928655170 1001611018 /nfs/dbraw/zinc/61/10/18/1001611018.db2.gz MKKOQAULPSFQKW-UHFFFAOYSA-N 2 0 354.498 1.413 20 30 FDEDRP C[C@@H]1CCCC[N@@H+]1CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089120442 1006010744 /nfs/dbraw/zinc/01/07/44/1006010744.db2.gz VGHBCPFAJCGKAP-CVEARBPZSA-N 2 0 365.522 1.741 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000303887006 1009674078 /nfs/dbraw/zinc/67/40/78/1009674078.db2.gz KQFJZUDJTPJNIJ-AZUAARDMSA-N 2 0 372.561 1.586 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000303887008 1009674405 /nfs/dbraw/zinc/67/44/05/1009674405.db2.gz KQFJZUDJTPJNIJ-ICSRJNTNSA-N 2 0 372.561 1.586 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC(=O)N1CCc2ccccc21 ZINC000304764667 1010490206 /nfs/dbraw/zinc/49/02/06/1010490206.db2.gz YITVXNZDLINRPZ-QGZVFWFLSA-N 2 0 357.502 1.745 20 30 FDEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000304823829 1010498779 /nfs/dbraw/zinc/49/87/79/1010498779.db2.gz FENFMMJEEKTEFO-SFHVURJKSA-N 2 0 365.497 1.619 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000057718433 221092994 /nfs/dbraw/zinc/09/29/94/221092994.db2.gz LMKWRLNFFNSYOG-UHFFFAOYSA-N 2 0 352.504 1.452 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000556643403 544167444 /nfs/dbraw/zinc/16/74/44/544167444.db2.gz QEJVMVQFJFRECJ-UHFFFAOYSA-N 2 0 350.507 1.132 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000158655602 524505956 /nfs/dbraw/zinc/50/59/56/524505956.db2.gz TYUNRJYRXVFACJ-NHCUHLMSSA-N 2 0 369.509 1.331 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(CN2CCOCC2)c1 ZINC000104164648 525398042 /nfs/dbraw/zinc/39/80/42/525398042.db2.gz UJZZALBKVRHCJM-LJQANCHMSA-N 2 0 359.518 1.407 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000104923864 525451804 /nfs/dbraw/zinc/45/18/04/525451804.db2.gz BWNQRSBZSJLNCC-UHFFFAOYSA-N 2 0 369.509 1.605 20 30 FDEDRP CCC[N@@H+]1CC[C@H](CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000133915475 526104824 /nfs/dbraw/zinc/10/48/24/526104824.db2.gz SCDMOQCZOKCORN-CVEARBPZSA-N 2 0 365.522 1.599 20 30 FDEDRP C[C@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000266998694 536947331 /nfs/dbraw/zinc/94/73/31/536947331.db2.gz ZKXDSKAJVLGBAM-CYBMUJFWSA-N 2 0 357.424 1.746 20 30 FDEDRP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246414344 536948284 /nfs/dbraw/zinc/94/82/84/536948284.db2.gz RPTJTSUWXCYLCI-FGTMMUONSA-N 2 0 364.534 1.958 20 30 FDEDRP C[NH+]=C(NCc1cccnc1N1CCN(C)CC1)N1CCc2ccccc21 ZINC000263242466 536998957 /nfs/dbraw/zinc/99/89/57/536998957.db2.gz LSDJDKSMURXLMT-UHFFFAOYSA-N 2 0 364.497 1.972 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000247288327 537103778 /nfs/dbraw/zinc/10/37/78/537103778.db2.gz SYCFYAYXDQHRGG-FXAWDEMLSA-N 2 0 354.498 1.753 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nnc(-c2ccc(OC)cc2)[nH]1 ZINC000303977049 537598402 /nfs/dbraw/zinc/59/84/02/537598402.db2.gz KTLCALJSSAEPSF-CQSZACIVSA-N 2 0 357.462 1.369 20 30 FDEDRP Cn1cc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cc1C#N ZINC000289938405 537631491 /nfs/dbraw/zinc/63/14/91/537631491.db2.gz WXWIAQYWTUNVCJ-UHFFFAOYSA-N 2 0 357.502 1.711 20 30 FDEDRP C[C@@H]1C[C@H](N(C)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC[N@@H+]1C ZINC000330230106 537652904 /nfs/dbraw/zinc/65/29/04/537652904.db2.gz QKOAVOPSXKXKPA-DDBAPUKQSA-N 2 0 352.523 1.693 20 30 FDEDRP CN(c1ccccc1C[NH2+]CCn1cnc(C#N)n1)C1CC[NH+](C)CC1 ZINC000285644458 537741135 /nfs/dbraw/zinc/74/11/35/537741135.db2.gz XZHKIPOOFKWJFE-UHFFFAOYSA-N 2 0 353.474 1.470 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000369375058 538015554 /nfs/dbraw/zinc/01/55/54/538015554.db2.gz VMKJKUGWCALPDJ-GOSISDBHSA-N 2 0 363.550 1.495 20 30 FDEDRP C[NH2+]CCCc1[n-][nH]c(=NC(=O)[C@@H]2CCCCN2C2CCCC2)c1C#N ZINC000562656673 546212337 /nfs/dbraw/zinc/21/23/37/546212337.db2.gz FDYKJNCAIGUDPV-KRWDZBQOSA-N 2 0 358.490 2.169 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc2c(C#N)cnn2c1 ZINC000564986283 547145402 /nfs/dbraw/zinc/14/54/02/547145402.db2.gz PYXNFCKHVJXQFY-GOSISDBHSA-N 2 0 355.490 1.449 20 30 FDEDRP C=CCOc1ccccc1C[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000577267923 550638329 /nfs/dbraw/zinc/63/83/29/550638329.db2.gz SPJZRCGHHXSMBP-OALUTQOASA-N 2 0 370.497 1.972 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000583221554 551321106 /nfs/dbraw/zinc/32/11/06/551321106.db2.gz YNVGQHLOBBPZOM-QGZVFWFLSA-N 2 0 366.550 1.626 20 30 FDEDRP COCC[N@H+](C)C[C@H](O)CN1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000583434151 551351054 /nfs/dbraw/zinc/35/10/54/551351054.db2.gz HEYIGUYRMMJRDF-FQEVSTJZSA-N 2 0 360.502 1.005 20 30 FDEDRP CC(C)(O)C[NH+]1CCC([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000590594697 551796581 /nfs/dbraw/zinc/79/65/81/551796581.db2.gz LFBUEBKRRMTWRG-UHFFFAOYSA-N 2 0 357.502 1.747 20 30 FDEDRP N#CCc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000591741259 551905451 /nfs/dbraw/zinc/90/54/51/551905451.db2.gz DIKHERHHEBKWGS-ICSRJNTNSA-N 2 0 373.497 1.583 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NCCCC[NH+]2CCN(CC)CC2)CC1 ZINC000592488237 552001013 /nfs/dbraw/zinc/00/10/13/552001013.db2.gz ALTRYSKXAFMYSD-UHFFFAOYSA-N 2 0 351.539 1.354 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)CC2)c1 ZINC000593722596 552182839 /nfs/dbraw/zinc/18/28/39/552182839.db2.gz XHRMWRGMXGVDTP-QUCCMNQESA-N 2 0 367.497 1.916 20 30 FDEDRP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000594437896 552309686 /nfs/dbraw/zinc/30/96/86/552309686.db2.gz LJEDHOXWLZDNQB-SJLPKXTDSA-N 2 0 371.485 1.734 20 30 FDEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000600726493 553307971 /nfs/dbraw/zinc/30/79/71/553307971.db2.gz LOTOOCTWDRULRO-HKUYNNGSSA-N 2 0 360.502 1.161 20 30 FDEDRP C=C(CNC(=O)[C@@H]1CCC[NH+]1CCC)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000620747887 555978834 /nfs/dbraw/zinc/97/88/34/555978834.db2.gz IEQMGCJRTNZFQH-ROUUACIJSA-N 2 0 364.534 1.524 20 30 FDEDRP CCC[NH+]1CCC(CNC(=[NH2+])NC2CCN(C(=O)OCC)CC2)CC1 ZINC000104177537 671595003 /nfs/dbraw/zinc/59/50/03/671595003.db2.gz MITSXHHRBSWUCX-UHFFFAOYSA-N 2 0 353.511 1.634 20 30 FDEDRP CC(C)[NH+]=C(NCC(=O)N(C)C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000185521301 672260636 /nfs/dbraw/zinc/26/06/36/672260636.db2.gz RTLZSDDRJSPNCT-UHFFFAOYSA-N 2 0 351.539 1.815 20 30 FDEDRP CC[NH+]=C(NCCC1CC[NH+](C)CC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261983381 672706527 /nfs/dbraw/zinc/70/65/27/672706527.db2.gz PKLXDOBKTRMCMB-UHFFFAOYSA-N 2 0 358.552 1.193 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303882805 676543530 /nfs/dbraw/zinc/54/35/30/676543530.db2.gz LVQOCBXJEBELSV-CALCHBBNSA-N 2 0 353.555 1.240 20 30 FDEDRP C[C@H](NC(=O)NCC1(O)CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329696562 676650021 /nfs/dbraw/zinc/65/00/21/676650021.db2.gz DOKXXMROTSESTK-JKSUJKDBSA-N 2 0 352.523 1.600 20 30 FDEDRP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363658756 676967654 /nfs/dbraw/zinc/96/76/54/676967654.db2.gz BMFVYISGLHGMBR-KRWDZBQOSA-N 2 0 350.507 1.429 20 30 FDEDRP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369388119 677505444 /nfs/dbraw/zinc/50/54/44/677505444.db2.gz FCKSCZGFLZYORO-RBUKOAKNSA-N 2 0 350.551 1.900 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000369463331 677505560 /nfs/dbraw/zinc/50/55/60/677505560.db2.gz NZPZUUZLZYCVOY-INIZCTEOSA-N 2 0 350.507 1.532 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419729265 680339914 /nfs/dbraw/zinc/33/99/14/680339914.db2.gz OIGSUTXTABYLAK-INIZCTEOSA-N 2 0 350.507 1.038 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419736878 680342700 /nfs/dbraw/zinc/34/27/00/680342700.db2.gz XNFKIOIVEFDDLQ-QGZVFWFLSA-N 2 0 350.507 1.167 20 30 FDEDRP CC#CCN1C[C@H]2OCCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193720 771201543 /nfs/dbraw/zinc/20/15/43/771201543.db2.gz FVOHNPMATZYBPA-FCEWJHQRSA-N 2 0 351.466 1.134 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001104294610 773895022 /nfs/dbraw/zinc/89/50/22/773895022.db2.gz TWJDVIQOKYBWRL-BRWVUGGUSA-N 2 0 364.534 1.236 20 30 FDEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001104363009 777482358 /nfs/dbraw/zinc/48/23/58/777482358.db2.gz UTHXWBJETIDLJW-HZPDHXFCSA-N 2 0 352.523 1.093 20 30 FDEDRP [NH2+]=C(NCCC[NH+]1CCC(O)CC1)NCc1ccc(OC(F)(F)F)cc1 ZINC000176966705 783652278 /nfs/dbraw/zinc/65/22/78/783652278.db2.gz NHKSRXCCEXELEI-UHFFFAOYSA-N 2 0 374.407 1.836 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000668843351 788916384 /nfs/dbraw/zinc/91/63/84/788916384.db2.gz PGUGLJUXJKUKPU-INIZCTEOSA-N 2 0 350.507 1.132 20 30 FDEDRP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001104847581 794048085 /nfs/dbraw/zinc/04/80/85/794048085.db2.gz ZKLITWKSPWKOQM-QZTJIDSGSA-N 2 0 367.534 1.374 20 30 FDEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001105017061 794933593 /nfs/dbraw/zinc/93/35/93/794933593.db2.gz ODCNZHLKEWIUOC-CEXWTWQISA-N 2 0 351.535 1.995 20 30 FDEDRP C=CC[C@]1(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)nc2)CCC[NH2+]1 ZINC000662758212 803077656 /nfs/dbraw/zinc/07/76/56/803077656.db2.gz OIXPODJXSKAIKA-HXUWFJFHSA-N 2 0 357.502 1.538 20 30 FDEDRP C=C(Br)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC000978178667 805257630 /nfs/dbraw/zinc/25/76/30/805257630.db2.gz LBWFYIKOWJGICC-RFBLXINOSA-N 2 0 370.335 1.919 20 30 FDEDRP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4ccc(F)c(C#N)c4)C[C@H]32)CC[N@@H+]1C ZINC000978185264 805284192 /nfs/dbraw/zinc/28/41/92/805284192.db2.gz VEEZXWCMLWUPOB-PYJZQUQOSA-N 2 0 370.472 1.832 20 30 FDEDRP C[NH+]=C(NCc1nncn1C)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000261709113 810140104 /nfs/dbraw/zinc/14/01/04/810140104.db2.gz GZNGQFDVSHLYRU-UHFFFAOYSA-N 2 0 361.538 1.723 20 30 FDEDRP C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)N1CC[NH+](C)CC1 ZINC000433305399 810407490 /nfs/dbraw/zinc/40/74/90/810407490.db2.gz NLQKRRNZZKSSQJ-KRWDZBQOSA-N 2 0 367.501 1.584 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)C(C)C ZINC000433381569 810489885 /nfs/dbraw/zinc/48/98/85/810489885.db2.gz AIVCQMXOTVNBDS-SJORKVTESA-N 2 0 360.506 1.631 20 30 FDEDRP CCC([NH3+])(CC)CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000420083656 813444078 /nfs/dbraw/zinc/44/40/78/813444078.db2.gz UIDQGVLLYWOVOG-UHFFFAOYSA-N 2 0 373.501 1.082 20 30 FDEDRP CC[NH+]=C(NCC(C)(C)[NH+]1CCC(OC)CC1)N1CC[C@]2(CCOC2)C1 ZINC000261947076 817276570 /nfs/dbraw/zinc/27/65/70/817276570.db2.gz GGXKPPHNUIAKRR-FQEVSTJZSA-N 2 0 366.550 1.954 20 30 FDEDRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000261964264 817818806 /nfs/dbraw/zinc/81/88/06/817818806.db2.gz AQMQVEJOHVFHOW-CALCHBBNSA-N 2 0 373.549 1.670 20 30 FDEDRP CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@@H]1C ZINC000328987508 819606062 /nfs/dbraw/zinc/60/60/62/819606062.db2.gz UPEIQLHMRDASCO-IRXDYDNUSA-N 2 0 374.533 1.662 20 30 FDEDRP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3[nH]c4ccccc4c3C#N)C2)CC1 ZINC000896325161 824300527 /nfs/dbraw/zinc/30/05/27/824300527.db2.gz NVAJOHHTVLHIBF-CQSZACIVSA-N 2 0 351.454 1.938 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000525510079 828634955 /nfs/dbraw/zinc/63/49/55/828634955.db2.gz XEAHCPSIJNXJTE-OAQYLSRUSA-N 2 0 372.513 1.573 20 30 FDEDRP C[C@H]1C[C@@H](NC(NCC(=O)N(C)C)=[NH+][C@H]2CCCC[C@H]2C)C[N@@H+]1C1CC1 ZINC000262271535 824498623 /nfs/dbraw/zinc/49/86/23/824498623.db2.gz GWNSMRGANQLIBU-HPFXQQBRSA-N 2 0 363.550 1.814 20 30 FDEDRP CN(C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329281445 824713682 /nfs/dbraw/zinc/71/36/82/824713682.db2.gz MMQCPMXJOOTVFD-VEHMJYNQSA-N 2 0 364.534 1.835 20 30 FDEDRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000330327430 825917401 /nfs/dbraw/zinc/91/74/01/825917401.db2.gz KXRCXYLDCIRRRV-KVSKMBFKSA-N 2 0 374.533 1.886 20 30 FDEDRP N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)s1 ZINC001088172089 827242336 /nfs/dbraw/zinc/24/23/36/827242336.db2.gz VVILMESWUXFDKB-CVEARBPZSA-N 2 0 370.522 1.996 20 30 FDEDRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CC#Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001088199850 827433506 /nfs/dbraw/zinc/43/35/06/827433506.db2.gz FNVPMPHNXNUYPJ-HKBOAZHASA-N 2 0 351.494 1.770 20 30 FDEDRP C=C[C@@H]1OCCC[C@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000454424455 835490217 /nfs/dbraw/zinc/49/02/17/835490217.db2.gz NLULXWLELWCIAU-MOPGFXCFSA-N 2 0 373.501 1.627 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105637064 842270397 /nfs/dbraw/zinc/27/03/97/842270397.db2.gz IXXKPGUDPUMATN-SOAMZJECSA-N 2 0 361.530 1.460 20 30 FDEDRP C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105658960 842500278 /nfs/dbraw/zinc/50/02/78/842500278.db2.gz LNPIPLOPLVRCIF-IZBJGVDFSA-N 2 0 351.535 1.870 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[NH+](CC)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105661376 842689820 /nfs/dbraw/zinc/68/98/20/842689820.db2.gz IEHMQYZPFWSWNK-LFGUQSLTSA-N 2 0 351.535 1.870 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C(C)C)C[C@H]1O ZINC001105667074 843500053 /nfs/dbraw/zinc/50/00/53/843500053.db2.gz NRFVEXMKWJDWKC-NEYJZJCJSA-N 2 0 361.530 1.624 20 30 FDEDRP C#CCN(C(=O)C(=O)N1CCC(CC)([NH+]2CCC2)CC1)C1CC[NH+](C)CC1 ZINC000910882815 857832081 /nfs/dbraw/zinc/83/20/81/857832081.db2.gz IKEAGOMYDACTBJ-UHFFFAOYSA-N 2 0 374.529 1.019 20 30 FDEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)C1 ZINC000271751818 869105285 /nfs/dbraw/zinc/10/52/85/869105285.db2.gz FWBKVGHPMTZAMQ-LJQANCHMSA-N 2 0 370.497 1.610 20 30 FDEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001106353994 874880107 /nfs/dbraw/zinc/88/01/07/874880107.db2.gz KBWDVKCCPNXLQE-NVXWUHKLSA-N 2 0 354.454 1.590 20 30 FDEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001106476905 875580526 /nfs/dbraw/zinc/58/05/26/875580526.db2.gz AVVDUFXMNUFQJA-RTBURBONSA-N 2 0 363.546 1.832 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000917137575 883111391 /nfs/dbraw/zinc/11/13/91/883111391.db2.gz RUEOBQRYLONAGP-MLYOOKFZSA-N 2 0 364.534 1.416 20 30 FDEDRP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001106840154 880442529 /nfs/dbraw/zinc/44/25/29/880442529.db2.gz AROTZLSLXUFTLV-QZTJIDSGSA-N 2 0 366.550 1.437 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000923178521 888267920 /nfs/dbraw/zinc/26/79/20/888267920.db2.gz HPDIVUXGJJDHLL-UHFFFAOYSA-N 2 0 362.518 1.274 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000923377989 889051301 /nfs/dbraw/zinc/05/13/01/889051301.db2.gz FNGQKDPVTSATAZ-NLWGTHIKSA-N 2 0 359.470 1.516 20 30 FDEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083795200 896815235 /nfs/dbraw/zinc/81/52/35/896815235.db2.gz MMZNBKAGMOTAGL-WCIQWLHISA-N 2 0 357.498 1.459 20 30 FDEDRP C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107042410 900056575 /nfs/dbraw/zinc/05/65/75/900056575.db2.gz LQVDZRBYCMBKGO-QZTJIDSGSA-N 2 0 364.534 1.211 20 30 FDEDRP C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001079146240 901964002 /nfs/dbraw/zinc/96/40/02/901964002.db2.gz ACBJRDKLEQNBOH-WOJBJXKFSA-N 2 0 369.509 1.732 20 30 FDEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@H](OC)C1 ZINC001082159950 906089516 /nfs/dbraw/zinc/08/95/16/906089516.db2.gz USKUNQAHWDBGML-IYWMVGAKSA-N 2 0 357.498 1.723 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1c1ccccc1 ZINC001081118698 907224198 /nfs/dbraw/zinc/22/41/98/907224198.db2.gz RDEJRXNSZIEGTF-AZUAARDMSA-N 2 0 365.481 1.276 20 30 FDEDRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)C1 ZINC001082742466 909945089 /nfs/dbraw/zinc/94/50/89/909945089.db2.gz GWWNUMPAOSJDLH-SPYBWZPUSA-N 2 0 358.461 1.976 20 30 FDEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@H](OC)C1 ZINC001212406551 911423882 /nfs/dbraw/zinc/42/38/82/911423882.db2.gz XVCFQIDSVOLING-CEXWTWQISA-N 2 0 365.518 1.411 20 30 FDEDRP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@H]2C1 ZINC001083082432 911947444 /nfs/dbraw/zinc/94/74/44/911947444.db2.gz XLZPBJBUKBZEAI-YZGWKJHDSA-N 2 0 359.514 1.576 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](C[C@H]4CCCCO4)C[C@H]32)CC1 ZINC001084851163 917659148 /nfs/dbraw/zinc/65/91/48/917659148.db2.gz PLKKFLGWWRHGEK-VAMGGRTRSA-N 2 0 359.514 1.433 20 30 FDEDRP C=C(C)CN1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129326205 925902645 /nfs/dbraw/zinc/90/26/45/925902645.db2.gz CNWWWPPPVMTJRS-SQNIBIBYSA-N 2 0 362.522 1.562 20 30 FDEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129337594 928768865 /nfs/dbraw/zinc/76/88/65/928768865.db2.gz PAMMXQPJPOHSKN-MSOLQXFVSA-N 2 0 364.538 1.932 20 30 FDEDRP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129459909 938435254 /nfs/dbraw/zinc/43/52/54/938435254.db2.gz BHXKZENWYKQJIH-FGTMMUONSA-N 2 0 360.506 1.316 20 30 FDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1 ZINC001129982379 938597141 /nfs/dbraw/zinc/59/71/41/938597141.db2.gz FNPUCHLVPNTOJI-BBWFWOEESA-N 2 0 360.506 1.316 20 30 FDEDRP CCCCCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129994252 938602990 /nfs/dbraw/zinc/60/29/90/938602990.db2.gz CWCRJJNWAUGKFG-SJORKVTESA-N 2 0 350.511 1.542 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130012308 938614900 /nfs/dbraw/zinc/61/49/00/938614900.db2.gz ZSQBMFHYDWNLIL-SJORKVTESA-N 2 0 362.522 1.564 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](CCC)CCC)C[C@@H]1n1ccnn1 ZINC001130083844 938665334 /nfs/dbraw/zinc/66/53/34/938665334.db2.gz MLTOULPVRQXNSL-MSOLQXFVSA-N 2 0 362.522 1.708 20 30 FDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001130091337 938676791 /nfs/dbraw/zinc/67/67/91/938676791.db2.gz MZWZAMOJUZQYNB-ZACQAIPSSA-N 2 0 358.490 1.070 20 30 FDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130096664 938681093 /nfs/dbraw/zinc/68/10/93/938681093.db2.gz OWJNOPPMEAOFAQ-KSZLIROESA-N 2 0 362.522 1.706 20 30 FDEDRP C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[N@@H+](C)CC)CC1 ZINC001130305046 938803406 /nfs/dbraw/zinc/80/34/06/938803406.db2.gz JBURYPMIYBMXDY-XLIONFOSSA-N 2 0 364.534 1.380 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130610266 939907645 /nfs/dbraw/zinc/90/76/45/939907645.db2.gz FJLKJRSZDRFGTC-ZIFCJYIRSA-N 2 0 357.502 1.202 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1c1cn(C)cn1 ZINC001130614876 939912395 /nfs/dbraw/zinc/91/23/95/939912395.db2.gz FXCJQFMDFSBQRQ-PKOBYXMFSA-N 2 0 369.513 1.203 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130635368 939937800 /nfs/dbraw/zinc/93/78/00/939937800.db2.gz XEECRFJFCORNIX-SXLOBPIMSA-N 2 0 371.529 1.755 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130687841 939977827 /nfs/dbraw/zinc/97/78/27/939977827.db2.gz SUIMVBSYODRURO-SXLOBPIMSA-N 2 0 371.529 1.590 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1c1cn(C)cn1 ZINC001130687847 939977925 /nfs/dbraw/zinc/97/79/25/939977925.db2.gz SXYFAPDCWXYEOF-WSTZPKSXSA-N 2 0 371.529 1.592 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130704170 939984718 /nfs/dbraw/zinc/98/47/18/939984718.db2.gz HQRVYSGTCJLUOK-PKOBYXMFSA-N 2 0 359.518 1.612 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131041773 940471377 /nfs/dbraw/zinc/47/13/77/940471377.db2.gz DAJKSVPHEUQPBN-IAGOWNOFSA-N 2 0 357.502 1.202 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1c1cncn1C ZINC001131070306 940484432 /nfs/dbraw/zinc/48/44/32/940484432.db2.gz ONGJEJZFRYHMFC-RCCFBDPRSA-N 2 0 359.518 1.755 20 30 FDEDRP C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313033 940552686 /nfs/dbraw/zinc/55/26/86/940552686.db2.gz FNMFZYYJQQKOML-ZACQAIPSSA-N 2 0 364.490 1.010 20 30 FDEDRP C=C(C)CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313407 940553001 /nfs/dbraw/zinc/55/30/01/940553001.db2.gz QPRAUPPGKHGPRE-ZACQAIPSSA-N 2 0 364.490 1.010 20 30 FDEDRP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001131502317 940652688 /nfs/dbraw/zinc/65/26/88/940652688.db2.gz AEHZLEFHECZQBZ-AQNXPRMDSA-N 2 0 361.530 1.868 20 30 FDEDRP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001131502617 940653157 /nfs/dbraw/zinc/65/31/57/940653157.db2.gz GZLJGQOZZWUMOC-AABGKKOBSA-N 2 0 361.530 1.868 20 30 FDEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001086698403 941166172 /nfs/dbraw/zinc/16/61/72/941166172.db2.gz CKNCTXJVSMFGIT-LSDHHAIUSA-N 2 0 353.898 1.685 20 30 FDEDRP C=CCc1cc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc(OC)c1OC ZINC000818987915 943374288 /nfs/dbraw/zinc/37/42/88/943374288.db2.gz AYGXZJHNWVSGEH-GOSISDBHSA-N 2 0 363.502 1.130 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccn(C)n3)C2)CC1 ZINC001086882336 952913875 /nfs/dbraw/zinc/91/38/75/952913875.db2.gz MPDJTWAYEHJAEA-FUHWJXTLSA-N 2 0 357.502 1.140 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccn3C)C2)CC1 ZINC001086882278 952913953 /nfs/dbraw/zinc/91/39/53/952913953.db2.gz JLWUNTKWMBXNBL-FUHWJXTLSA-N 2 0 357.502 1.140 20 30 FDEDRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)C1 ZINC001086874491 952924852 /nfs/dbraw/zinc/92/48/52/952924852.db2.gz GBDDMOOJYZBIEM-GBESFXJTSA-N 2 0 370.497 1.915 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001086978051 952989435 /nfs/dbraw/zinc/98/94/35/952989435.db2.gz BASHEYBONILUFC-OTWHNJEPSA-N 2 0 359.518 1.753 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1c1cnn(C)c1 ZINC001087010709 953102410 /nfs/dbraw/zinc/10/24/10/953102410.db2.gz NJPZMHWBIVPFDQ-OTWHNJEPSA-N 2 0 359.518 1.755 20 30 FDEDRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)C1 ZINC001092273996 954660781 /nfs/dbraw/zinc/66/07/81/954660781.db2.gz YNVRBJSFEGKNAA-ZVDOUQERSA-N 2 0 352.482 1.790 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093132805 957616641 /nfs/dbraw/zinc/61/66/41/957616641.db2.gz ABOFMWHRBYSGCX-VQIMIIECSA-N 2 0 352.482 1.838 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3cnc(C)o3)C[C@H]2C)CC1 ZINC001093223831 957853166 /nfs/dbraw/zinc/85/31/66/957853166.db2.gz IAGRZPXWCUDPQH-CRAIPNDOSA-N 2 0 358.486 1.512 20 30 FDEDRP C=C(C[NH+]1CCCC1)C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001183042731 962754464 /nfs/dbraw/zinc/75/44/64/962754464.db2.gz BUQSKQFIAYDUAW-NSHGMRRFSA-N 2 0 370.497 1.834 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCOCC(C)C)C[C@H]32)CC1 ZINC001190318717 967732156 /nfs/dbraw/zinc/73/21/56/967732156.db2.gz SWODODSXPLIVOS-VQTJNVASSA-N 2 0 361.530 1.537 20 30 FDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC1([NH+]3CCSCC3)CCCC1)C2 ZINC000884193439 982969711 /nfs/dbraw/zinc/96/97/11/982969711.db2.gz GIPIRBOCKQQSIQ-PQUAAJSLSA-N 2 0 362.543 1.604 20 30 FDEDRP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000871050808 986617111 /nfs/dbraw/zinc/61/71/11/986617111.db2.gz KDCNOUHXAMBWDZ-MHORFTMASA-N 2 0 372.517 1.530 20 30 FDEDRP CC1(C[NH+]2CCOCC2)CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000362310966 988630460 /nfs/dbraw/zinc/63/04/60/988630460.db2.gz YSSHXCQBBQRFTC-UHFFFAOYSA-N 2 0 370.497 1.609 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)CC1 ZINC000875182353 991022120 /nfs/dbraw/zinc/02/21/20/991022120.db2.gz LSQJNGHRLRBDGT-UHFFFAOYSA-N 2 0 350.507 1.086 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877018841 993013876 /nfs/dbraw/zinc/01/38/76/993013876.db2.gz ROSYEALCTYXRTI-IMJJTQAJSA-N 2 0 366.387 1.731 20 30 FDEDRP CC[C@@H]1C[NH+](Cc2cc(C#N)cc(C[N@@H+]3C[C@H](O)[C@@H](CC)C3)c2)C[C@@H]1O ZINC000878322071 993906145 /nfs/dbraw/zinc/90/61/45/993906145.db2.gz WFZNGDYGJBNVFQ-WOZUAGRISA-N 2 0 357.498 1.964 20 30 FDEDRP C[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@H+]3CC[C@H](C)[C@H]3CO)c2)[C@H]1CO ZINC000878485450 993979436 /nfs/dbraw/zinc/97/94/36/993979436.db2.gz OHFUZBGNCWDVNF-IFCLKOLQSA-N 2 0 357.498 1.964 20 30 FDEDRP Cc1nsc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1C#N ZINC000879527562 994979677 /nfs/dbraw/zinc/97/96/77/994979677.db2.gz RVTZXRNYSHOFLM-CHWSQXEVSA-N 2 0 350.492 1.526 20 30 FDEDRP C[NH+]1CCN(C2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)CC1 ZINC000879591834 995059931 /nfs/dbraw/zinc/05/99/31/995059931.db2.gz UPBDENMXHQJTLO-UHFFFAOYSA-N 2 0 361.515 1.660 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C(C)C ZINC000654379657 1015953216 /nfs/dbraw/zinc/95/32/16/1015953216.db2.gz HLPMJYWUNHAEBN-KSZLIROESA-N 2 0 350.507 1.145 20 30 FDEDRP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)CCN1c1cc[nH+]cc1 ZINC000880259429 995762454 /nfs/dbraw/zinc/76/24/54/995762454.db2.gz SNQWKRHDXIUHOF-VQIMIIECSA-N 2 0 352.438 1.904 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@]1(COC)OCCc2ccccc21 ZINC000290691927 1000153529 /nfs/dbraw/zinc/15/35/29/1000153529.db2.gz RETHJARLCRZXTB-FXAWDEMLSA-N 2 0 360.502 1.490 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)CC1 ZINC000930009029 1002732041 /nfs/dbraw/zinc/73/20/41/1002732041.db2.gz ROUURJOWOTYGRQ-UHFFFAOYSA-N 2 0 352.523 1.189 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)CC1 ZINC000930282299 1002994630 /nfs/dbraw/zinc/99/46/30/1002994630.db2.gz USAVYVRTAGTHQB-UHFFFAOYSA-N 2 0 358.490 1.677 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)Nc2ccc(OCC[NH+](C)C)c(OC)c2)CC1 ZINC000931768584 1004482635 /nfs/dbraw/zinc/48/26/35/1004482635.db2.gz SFFXHKYANTYBKA-UHFFFAOYSA-N 2 0 374.485 1.855 20 30 FDEDRP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000305044473 1008605835 /nfs/dbraw/zinc/60/58/35/1008605835.db2.gz XCXFFGUHLITEQJ-INIZCTEOSA-N 2 0 367.538 1.832 20 30 FDEDRP COc1cccc(NC(=[NH2+])NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000303894425 1009679127 /nfs/dbraw/zinc/67/91/27/1009679127.db2.gz OUJAUXWIMLHUMI-GOSISDBHSA-N 2 0 354.454 1.841 20 30 FDEDRP COc1cccc(NC(=[NH2+])NCc2cccc(C(=O)NCC[NH+](C)C)c2)c1 ZINC000303974258 1009786100 /nfs/dbraw/zinc/78/61/00/1009786100.db2.gz HUYLUMIFRLPATJ-UHFFFAOYSA-N 2 0 369.469 1.913 20 30 FDEDRP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513818532 539006725 /nfs/dbraw/zinc/00/67/25/539006725.db2.gz FFXXTJXGSQVKDE-FXAWDEMLSA-N 2 0 364.534 1.864 20 30 FDEDRP C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000331379046 259190959 /nfs/dbraw/zinc/19/09/59/259190959.db2.gz FRDXQRRDIPJRNH-YLJYHZDGSA-N 2 0 369.513 1.845 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000081355689 524105905 /nfs/dbraw/zinc/10/59/05/524105905.db2.gz UVHFWUNSJMXILS-UHFFFAOYSA-N 2 0 371.529 1.750 20 30 FDEDRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000155662223 525938043 /nfs/dbraw/zinc/93/80/43/525938043.db2.gz CAPJZHGQAXGENM-LJQANCHMSA-N 2 0 355.486 1.599 20 30 FDEDRP C[NH+]=C(NCc1ccnc(N2CC[NH+](C)CC2)c1)N1CCc2ccccc21 ZINC000263268734 537005584 /nfs/dbraw/zinc/00/55/84/537005584.db2.gz WHAPAYKWOWHKFC-UHFFFAOYSA-N 2 0 364.497 1.972 20 30 FDEDRP C[C@@H]1C[NH+](CC2CC[NH+](C[C@@H]3CNc4c(C#N)cnn4C3)CC2)C[C@@H](C)O1 ZINC000568090195 548394111 /nfs/dbraw/zinc/39/41/11/548394111.db2.gz WYLRBRMFOYENGN-NUJGCVRESA-N 2 0 372.517 1.618 20 30 FDEDRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H](O)CN(C)CCC#N ZINC000577602691 550673842 /nfs/dbraw/zinc/67/38/42/550673842.db2.gz JZYYXBBOJFJLAA-GGPKGHCWSA-N 2 0 358.530 1.939 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)C2CC[NH+](CCC)CC2)CC1 ZINC000580478791 550986686 /nfs/dbraw/zinc/98/66/86/550986686.db2.gz ZGIRPWRELMQWPZ-UHFFFAOYSA-N 2 0 364.534 1.476 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000581775472 551134540 /nfs/dbraw/zinc/13/45/40/551134540.db2.gz SVKDGTFKVVHMBY-UHFFFAOYSA-N 2 0 364.534 1.524 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000593712056 552180176 /nfs/dbraw/zinc/18/01/76/552180176.db2.gz HQASZCMQRFNMQM-SFHVURJKSA-N 2 0 355.486 1.821 20 30 FDEDRP C[C@H]1[NH2+]CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H]1C ZINC000593722792 552182860 /nfs/dbraw/zinc/18/28/60/552182860.db2.gz YXUFFWILCIYYCG-HZPDHXFCSA-N 2 0 355.486 1.914 20 30 FDEDRP COC1([C@@H](C)[NH2+]CC#CC[NH2+][C@@H](C)C2(OC)CCOCC2)CCOCC1 ZINC000625483988 556823783 /nfs/dbraw/zinc/82/37/83/556823783.db2.gz YYFPQXJFZNNCKC-HDICACEKSA-N 2 0 368.518 1.337 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000626803433 557171422 /nfs/dbraw/zinc/17/14/22/557171422.db2.gz HSPBOHFNGKIJET-UHFFFAOYSA-N 2 0 372.469 1.264 20 30 FDEDRP CC[NH+]=C(NC[C@H]1CCC[N@H+](CC(C)C)C1)N1CCN(C(C)=O)CC1 ZINC000134207764 671826734 /nfs/dbraw/zinc/82/67/34/671826734.db2.gz ANMSAWRWNITWCO-GOSISDBHSA-N 2 0 351.539 1.484 20 30 FDEDRP CC[NH+]=C(NC[C@@H](C)N1CC[NH+](CC)CC1)N1CCSC(C)(C)C1 ZINC000261833760 672680249 /nfs/dbraw/zinc/68/02/49/672680249.db2.gz JHQNOILKUYPKFQ-MRXNPFEDSA-N 2 0 355.596 1.805 20 30 FDEDRP CCC(=O)N1CC[C@H](NC(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)=[NH+]C)C1 ZINC000261949652 672700253 /nfs/dbraw/zinc/70/02/53/672700253.db2.gz GZXMLRJYYBCHDK-GJYPPUQNSA-N 2 0 351.539 1.673 20 30 FDEDRP C[C@@H]1C[NH+]=C(NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)N1 ZINC000262648054 672825132 /nfs/dbraw/zinc/82/51/32/672825132.db2.gz JRHPAODSSWJHKA-GFCCVEGCSA-N 2 0 355.408 1.895 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C(CC)CC)[NH+](C)C)CC1 ZINC000303783240 676543107 /nfs/dbraw/zinc/54/31/07/676543107.db2.gz OCKDUDWLUODXGR-MRXNPFEDSA-N 2 0 355.527 1.878 20 30 FDEDRP CC(C)[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)[NH+]1CCC(C)CC1 ZINC000303889804 676543816 /nfs/dbraw/zinc/54/38/16/676543816.db2.gz MDGCJKSUFMVGIV-GOSISDBHSA-N 2 0 353.555 1.370 20 30 FDEDRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=[NH2+])N2CCCCCC2)CC1 ZINC000305094838 676544726 /nfs/dbraw/zinc/54/47/26/676544726.db2.gz YZJCGOXKRALRFX-UHFFFAOYSA-N 2 0 351.539 1.804 20 30 FDEDRP C[NH+]1CCC(C)(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000329489455 676641200 /nfs/dbraw/zinc/64/12/00/676641200.db2.gz HLRQZUKXBXDKMM-UHFFFAOYSA-N 2 0 352.523 1.867 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)C(C)C ZINC000419565612 680278445 /nfs/dbraw/zinc/27/84/45/680278445.db2.gz FCTGDYHLZVBFTL-BRWVUGGUSA-N 2 0 350.507 1.010 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000419571976 680280395 /nfs/dbraw/zinc/28/03/95/680280395.db2.gz PWADIGOCWQVCET-IXDOHACOSA-N 2 0 350.507 1.187 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C)C(C)C ZINC000419575893 680281453 /nfs/dbraw/zinc/28/14/53/680281453.db2.gz WRJFDRIQGLVMDU-YESZJQIVSA-N 2 0 350.507 1.010 20 30 FDEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420347429 680434233 /nfs/dbraw/zinc/43/42/33/680434233.db2.gz GQFIWUAAMBIMTG-IRXDYDNUSA-N 2 0 362.543 1.631 20 30 FDEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000527124141 694655050 /nfs/dbraw/zinc/65/50/50/694655050.db2.gz DEAMNMBNTLTIOW-UHFFFAOYSA-N 2 0 365.865 1.102 20 30 FDEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892472830 784905404 /nfs/dbraw/zinc/90/54/04/784905404.db2.gz GYBQSERJRNPRLQ-UHFFFAOYSA-N 2 0 355.486 1.998 20 30 FDEDRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]CC#Cc1ccccc1 ZINC001104907995 794346576 /nfs/dbraw/zinc/34/65/76/794346576.db2.gz DHQYCMMFBCLJAL-TZIWHRDSSA-N 2 0 371.525 1.691 20 30 FDEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001105066664 795137515 /nfs/dbraw/zinc/13/75/15/795137515.db2.gz AYYMKQJJJJBKOU-AQNXPRMDSA-N 2 0 363.546 1.831 20 30 FDEDRP C=CC[C@]1(C(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662721540 802908403 /nfs/dbraw/zinc/90/84/03/802908403.db2.gz YIHWFBDTMCALBG-JOCHJYFZSA-N 2 0 370.541 1.961 20 30 FDEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1ccccc1 ZINC001211667065 803393426 /nfs/dbraw/zinc/39/34/26/803393426.db2.gz UGYSSZSGKGJUQQ-LEWJYISDSA-N 2 0 369.509 1.562 20 30 FDEDRP C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001087430942 807140510 /nfs/dbraw/zinc/14/05/10/807140510.db2.gz RBGDRTPQEOBNCW-CWJKEVGVSA-N 2 0 369.509 1.703 20 30 FDEDRP C[NH+]=C(NCc1cccnc1-n1ccnc1C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262004589 811364803 /nfs/dbraw/zinc/36/48/03/811364803.db2.gz VGWRFSJVQDFTRC-RDTXWAMCSA-N 2 0 367.501 1.723 20 30 FDEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000262012663 811367760 /nfs/dbraw/zinc/36/77/60/811367760.db2.gz WZXUEJGQWRWOBU-KRWDZBQOSA-N 2 0 367.501 1.084 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000419736233 812160868 /nfs/dbraw/zinc/16/08/68/812160868.db2.gz WYPCDEGODRKSOM-RBUKOAKNSA-N 2 0 370.497 1.096 20 30 FDEDRP CC1CC[NH+](C2CCC(NC(=O)NCC3(O)CC[NH+](C)CC3)CC2)CC1 ZINC000328650784 819522299 /nfs/dbraw/zinc/52/22/99/819522299.db2.gz JLTHKJGRMPDLQF-UHFFFAOYSA-N 2 0 366.550 1.990 20 30 FDEDRP N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cc1 ZINC001075798510 820435225 /nfs/dbraw/zinc/43/52/25/820435225.db2.gz CXOYJXXTASPURN-PWRODBHTSA-N 2 0 364.493 1.933 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnn(CCC#N)c1C ZINC000896042314 823975669 /nfs/dbraw/zinc/97/56/69/823975669.db2.gz GYMSUWNXGPFTGH-KRWDZBQOSA-N 2 0 360.506 1.593 20 30 FDEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047149 825590281 /nfs/dbraw/zinc/59/02/81/825590281.db2.gz IPRUKTCUSSCDCO-DXWXDBEXSA-N 2 0 359.514 1.596 20 30 FDEDRP C[C@@H]1CC[N@H+](CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000897429001 833164773 /nfs/dbraw/zinc/16/47/73/833164773.db2.gz XPESKFYWEHAGDE-QGZVFWFLSA-N 2 0 357.502 1.973 20 30 FDEDRP CN(C(=O)NCc1nc(C#N)cs1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000897282763 827696566 /nfs/dbraw/zinc/69/65/66/827696566.db2.gz UHVAFPUYKRVXTP-OAHLLOKOSA-N 2 0 362.503 1.325 20 30 FDEDRP C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000262787316 831432512 /nfs/dbraw/zinc/43/25/12/831432512.db2.gz MZNHZPYXTWSACU-KPFFTGBYSA-N 2 0 366.550 1.594 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCN(c2ccccc2OC)C1 ZINC000264065579 838333689 /nfs/dbraw/zinc/33/36/89/838333689.db2.gz BAGVOLAZYZJPJM-IAGOWNOFSA-N 2 0 359.518 1.910 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105655781 842479157 /nfs/dbraw/zinc/47/91/57/842479157.db2.gz KXQUCGNXRMYINP-REHHDOPLSA-N 2 0 363.546 1.564 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105672771 845214360 /nfs/dbraw/zinc/21/43/60/845214360.db2.gz DGPYXOGLRRXPTP-HNBVOPMISA-N 2 0 351.535 1.869 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105676281 845886799 /nfs/dbraw/zinc/88/67/99/845886799.db2.gz VDQGICHYKAISMG-LFGUQSLTSA-N 2 0 351.535 1.869 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000480979214 845995987 /nfs/dbraw/zinc/99/59/87/845995987.db2.gz LOKIPFHJJLFDFR-BBWFWOEESA-N 2 0 364.534 1.236 20 30 FDEDRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001076242464 847664145 /nfs/dbraw/zinc/66/41/45/847664145.db2.gz GENSSUKBTYPKFN-FFZOFVMBSA-N 2 0 352.482 1.933 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000668843352 857696056 /nfs/dbraw/zinc/69/60/56/857696056.db2.gz PGUGLJUXJKUKPU-MRXNPFEDSA-N 2 0 350.507 1.132 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](OC)C3CCC3)[C@@H]2C)CC1 ZINC001089059158 866382112 /nfs/dbraw/zinc/38/21/12/866382112.db2.gz BMAFCJIXJFGDTJ-LSTHTHJFSA-N 2 0 361.530 1.726 20 30 FDEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106249965 874131190 /nfs/dbraw/zinc/13/11/90/874131190.db2.gz VBACHIFFVQALSY-GGPKGHCWSA-N 2 0 361.530 1.727 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000762188201 875368228 /nfs/dbraw/zinc/36/82/28/875368228.db2.gz VYGXUUZPRSAVPJ-GOSISDBHSA-N 2 0 371.481 1.641 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000762188202 875368607 /nfs/dbraw/zinc/36/86/07/875368607.db2.gz VYGXUUZPRSAVPJ-SFHVURJKSA-N 2 0 371.481 1.641 20 30 FDEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001106477679 875583291 /nfs/dbraw/zinc/58/32/91/875583291.db2.gz NJNPRQVOMPEAPZ-IAGOWNOFSA-N 2 0 364.534 1.237 20 30 FDEDRP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N ZINC000999191261 912246201 /nfs/dbraw/zinc/24/62/01/912246201.db2.gz WRHXNXPBSSJDEF-ATZDWAIDSA-N 2 0 370.497 1.988 20 30 FDEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129143368 885855632 /nfs/dbraw/zinc/85/56/32/885855632.db2.gz AJYAJBBKRKQRBA-SJORKVTESA-N 2 0 360.506 1.460 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000923388179 889098087 /nfs/dbraw/zinc/09/80/87/889098087.db2.gz MIKZPCAVKAAJPN-JRBPQWBISA-N 2 0 359.470 1.516 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc1 ZINC000923431300 889230007 /nfs/dbraw/zinc/23/00/07/889230007.db2.gz OGLFGVLWLMYKFO-HSALFYBXSA-N 2 0 370.497 1.199 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](CC)C[NH+]2CCCC2)CC1 ZINC000672356926 893180300 /nfs/dbraw/zinc/18/03/00/893180300.db2.gz KPYYAOCFZCEQQC-MRXNPFEDSA-N 2 0 350.507 1.134 20 30 FDEDRP C=C(C)C[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001128106954 896958096 /nfs/dbraw/zinc/95/80/96/896958096.db2.gz JUSUWEMAMWEOJX-BHIYHBOVSA-N 2 0 371.529 1.782 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)cc(C)c3)C[C@H]2O)CC1 ZINC001078226968 898426885 /nfs/dbraw/zinc/42/68/85/898426885.db2.gz BXDXCEVRWBPFGY-NHCUHLMSSA-N 2 0 369.509 1.310 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3ccc(C#N)cc3)C2)CC[N@@H+]1C ZINC001078405417 898747919 /nfs/dbraw/zinc/74/79/19/898747919.db2.gz MQUNDXMUKHLGBQ-LSTHTHJFSA-N 2 0 370.497 1.606 20 30 FDEDRP C[C@@](CO)([NH2+]CC#CC[NH2+][C@@](C)(CO)c1ccccc1)c1ccccc1 ZINC000671241268 899703017 /nfs/dbraw/zinc/70/30/17/899703017.db2.gz OFJVADSSOPJKTA-VXKWHMMOSA-N 2 0 352.478 1.984 20 30 FDEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079252863 902275661 /nfs/dbraw/zinc/27/56/61/902275661.db2.gz RROPYDOYAMKGNF-ZCNNSNEGSA-N 2 0 371.525 1.433 20 30 FDEDRP C#CC[NH+]1CCC2(CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079262867 902303506 /nfs/dbraw/zinc/30/35/06/902303506.db2.gz DVBMKSHCBPOABY-RBUKOAKNSA-N 2 0 359.514 1.291 20 30 FDEDRP C=CCC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079270266 902328693 /nfs/dbraw/zinc/32/86/93/902328693.db2.gz JYGJYYKOJXIERQ-CEXWTWQISA-N 2 0 361.530 1.844 20 30 FDEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079243294 902342359 /nfs/dbraw/zinc/34/23/59/902342359.db2.gz XFYPYFIXVFGXQU-AKHDSKFASA-N 2 0 359.514 1.289 20 30 FDEDRP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643224 906217007 /nfs/dbraw/zinc/21/70/07/906217007.db2.gz AZLVTZALHVGQEM-TZIWHRDSSA-N 2 0 361.530 1.873 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C)c3)C[C@H]2OC)CC1 ZINC001082383110 907372756 /nfs/dbraw/zinc/37/27/56/907372756.db2.gz JANMIPXZNJMRSO-NHCUHLMSSA-N 2 0 369.509 1.656 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001082448243 907813272 /nfs/dbraw/zinc/81/32/72/907813272.db2.gz JGOAJDZHMRHUQO-ZTFGCOKTSA-N 2 0 356.470 1.598 20 30 FDEDRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC001082742860 909948721 /nfs/dbraw/zinc/94/87/21/909948721.db2.gz UWKOKILOCFVTIU-QMTMVMCOSA-N 2 0 358.461 1.976 20 30 FDEDRP O=C(NCC#CCNC(=O)c1ccc2c[nH+]cn2c1)c1ccc2c[nH+]cn2c1 ZINC000671793377 909961752 /nfs/dbraw/zinc/96/17/52/909961752.db2.gz GHODJWYBBHHEBP-UHFFFAOYSA-N 2 0 372.388 1.145 20 30 FDEDRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](CC#Cc4ccccc4)[C@H]3C2)C1 ZINC001085092783 920808396 /nfs/dbraw/zinc/80/83/96/920808396.db2.gz PXLKRLMGFQCFAP-HKBOAZHASA-N 2 0 351.494 1.913 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nccnc2C)CC1 ZINC001085432710 924680141 /nfs/dbraw/zinc/68/01/41/924680141.db2.gz LVCGDZIBWYATJR-RTBURBONSA-N 2 0 369.513 1.647 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ocnc2C)CC1 ZINC001085432756 924680262 /nfs/dbraw/zinc/68/02/62/924680262.db2.gz OTLLYFWMJFDTFE-QZTJIDSGSA-N 2 0 358.486 1.845 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCCCCC)C[C@@H]1n1ccnn1 ZINC001130044112 938643360 /nfs/dbraw/zinc/64/33/60/938643360.db2.gz QMJKAHHAOMJLHI-MSOLQXFVSA-N 2 0 362.522 1.708 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001130045854 938645308 /nfs/dbraw/zinc/64/53/08/938645308.db2.gz CBSPRNCXPDJCTR-FGTMMUONSA-N 2 0 362.522 1.562 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1n1ccnn1 ZINC001130066455 938654973 /nfs/dbraw/zinc/65/49/73/938654973.db2.gz ADEGMZFZJZWWLR-MSOLQXFVSA-N 2 0 360.506 1.316 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1c1cncn1C ZINC001131015142 940448773 /nfs/dbraw/zinc/44/87/73/940448773.db2.gz PDQGZVSBABMTRJ-QZTJIDSGSA-N 2 0 369.513 1.203 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1c1cncn1C ZINC001131084196 940489324 /nfs/dbraw/zinc/48/93/24/940489324.db2.gz LVMWWVFUQAKIPH-GUDVDZBRSA-N 2 0 371.529 1.592 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001144417733 949063739 /nfs/dbraw/zinc/06/37/39/949063739.db2.gz HSEZTBLLCLFNHV-OAQYLSRUSA-N 2 0 357.498 1.780 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1c1cnn(C)c1 ZINC001086985918 953004680 /nfs/dbraw/zinc/00/46/80/953004680.db2.gz LEAGLLJMPJANPK-OTWHNJEPSA-N 2 0 359.518 1.611 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(=C)C)C2)CC1 ZINC001087010848 953102281 /nfs/dbraw/zinc/10/22/81/953102281.db2.gz UOVQDPZHUOHKTH-VQTJNVASSA-N 2 0 369.513 1.225 20 30 FDEDRP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2 ZINC001092203370 954530636 /nfs/dbraw/zinc/53/06/36/954530636.db2.gz LZJVAOMMEVFAOL-CTNGQTDRSA-N 2 0 364.493 1.934 20 30 FDEDRP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1nccn12 ZINC001092373136 955046185 /nfs/dbraw/zinc/04/61/85/955046185.db2.gz PTAKNIWIAQMYMN-YESZJQIVSA-N 2 0 357.502 1.761 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001093467683 958215392 /nfs/dbraw/zinc/21/53/92/958215392.db2.gz VIAVJXFREAYNIF-VURPSTOHSA-N 2 0 361.530 1.318 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@H]2C(C)C)C[C@H]1O ZINC001093458899 958286964 /nfs/dbraw/zinc/28/69/64/958286964.db2.gz HURDAHYNLKLMFL-DCXXXQMHSA-N 2 0 361.530 1.460 20 30 FDEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001183043697 962756941 /nfs/dbraw/zinc/75/69/41/962756941.db2.gz VYKQIZMOSYOFRZ-VQTJNVASSA-N 2 0 370.497 1.535 20 30 FDEDRP C=C(C[NH+]1CCCC1)C(=O)N(CC(C)(C)[NH3+])S(=O)(=O)c1ccccc1 ZINC001183086138 962783244 /nfs/dbraw/zinc/78/32/44/962783244.db2.gz RCDHTEZVBBUXQT-UHFFFAOYSA-N 2 0 365.499 1.593 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001178522264 964272239 /nfs/dbraw/zinc/27/22/39/964272239.db2.gz JXVJUMIKTNDOGX-GVDBMIGSSA-N 2 0 352.523 1.284 20 30 FDEDRP [NH3+]C1(CNC(=O)C#CC2CC[NH2+]CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000852892209 967693434 /nfs/dbraw/zinc/69/34/34/967693434.db2.gz HOSCRHZAPQSLRG-UHFFFAOYSA-N 3 0 354.498 1.099 20 30 FDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1CC[N@H+](CCc3ccccc3)C1)C2 ZINC000884203947 982979286 /nfs/dbraw/zinc/97/92/86/982979286.db2.gz JTYWVJWLQGWHRP-VKTDYJGGSA-N 2 0 366.509 1.807 20 30 FDEDRP C[NH+](C)C[C@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c2ccccc2O1 ZINC000884232326 983006408 /nfs/dbraw/zinc/00/64/08/983006408.db2.gz OCTWKQOCKIUCPE-FZTQNYJHSA-N 2 0 354.454 1.482 20 30 FDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)C2 ZINC000884401290 983138739 /nfs/dbraw/zinc/13/87/39/983138739.db2.gz KFLKFPIBKFLZLC-KYBDOYODSA-N 2 0 368.481 1.009 20 30 FDEDRP COc1cc(C#N)ccc1OCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023984 985533693 /nfs/dbraw/zinc/53/36/93/985533693.db2.gz FNGOPVSEVVASBR-IAGOWNOFSA-N 2 0 374.485 1.143 20 30 FDEDRP N#Cc1ccccc1N1CCC([NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000873217951 988654105 /nfs/dbraw/zinc/65/41/05/988654105.db2.gz VPWVLHUMYGDRIN-MRXNPFEDSA-N 2 0 355.486 1.314 20 30 FDEDRP COC(=O)[C@]1(C)CCC[NH+](CC#CC[N@H+]2CCC[C@@](C)(C(=O)OC)C2)C1 ZINC000412084933 992798735 /nfs/dbraw/zinc/79/87/35/992798735.db2.gz YZJZPZQNAFCFTA-WOJBJXKFSA-N 2 0 364.486 1.540 20 30 FDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000876781568 992908256 /nfs/dbraw/zinc/90/82/56/992908256.db2.gz OWGUOBANEFTRJP-KRWDZBQOSA-N 2 0 350.894 1.520 20 30 FDEDRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876922807 992969547 /nfs/dbraw/zinc/96/95/47/992969547.db2.gz LTGBTTCRXVQVJN-MOPGFXCFSA-N 2 0 352.482 1.982 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000876957471 992982396 /nfs/dbraw/zinc/98/23/96/992982396.db2.gz XHRBXIRPZUIDPX-ICSRJNTNSA-N 2 0 352.482 1.983 20 30 FDEDRP CC[NH+](CC)CCOc1ccc(CNC(=[NH2+])N[C@@H](C)COC)cc1OC ZINC000264127206 997407494 /nfs/dbraw/zinc/40/74/94/997407494.db2.gz WVHDYLAYCWKKQS-HNNXBMFYSA-N 2 0 366.506 1.855 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)CC1 ZINC000269409677 999467633 /nfs/dbraw/zinc/46/76/33/999467633.db2.gz HCLYACRWCDHGLO-SFHVURJKSA-N 2 0 355.486 1.506 20 30 FDEDRP CN(CCC#N)C(=O)CC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000271558248 999711939 /nfs/dbraw/zinc/71/19/39/999711939.db2.gz NWHCYFBIMWMCTM-UHFFFAOYSA-N 2 0 371.529 1.498 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(COC)OCCc2ccccc21 ZINC000290691935 1000153485 /nfs/dbraw/zinc/15/34/85/1000153485.db2.gz RETHJARLCRZXTB-YLJYHZDGSA-N 2 0 360.502 1.490 20 30 FDEDRP C[NH+](C)CC#CCNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000930030486 1002749873 /nfs/dbraw/zinc/74/98/73/1002749873.db2.gz LNVOJHUEQNORFC-UHFFFAOYSA-N 2 0 360.527 1.964 20 30 FDEDRP COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001111267975 1007405319 /nfs/dbraw/zinc/40/53/19/1007405319.db2.gz QEMPRCMQOXTPNB-XWSHUIEDSA-N 2 0 369.509 1.835 20 30 FDEDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](O)COc3ccccc3C#N)C2)CC1 ZINC000528388990 539754948 /nfs/dbraw/zinc/75/49/48/539754948.db2.gz KJSAFZCUMUAXSL-UXHICEINSA-N 2 0 372.513 1.398 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C#N)o1 ZINC000287115669 183215722 /nfs/dbraw/zinc/21/57/22/183215722.db2.gz ZQHSMXMNSFXJJA-AWEZNQCLSA-N 2 0 354.476 1.188 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000550003092 542987398 /nfs/dbraw/zinc/98/73/98/542987398.db2.gz MWOLWMZATKZCHV-UHFFFAOYSA-N 2 0 350.507 1.134 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000551217897 543253484 /nfs/dbraw/zinc/25/34/84/543253484.db2.gz WTHKBVNJIANZNF-RCCFBDPRSA-N 2 0 364.534 1.400 20 30 FDEDRP CN(CC[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000177376119 174126077 /nfs/dbraw/zinc/12/60/77/174126077.db2.gz OVPZUGSPACMRLS-UHFFFAOYSA-N 2 0 357.502 1.845 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000553669664 543677771 /nfs/dbraw/zinc/67/77/71/543677771.db2.gz YXYAIVLGOQPPHV-SFHVURJKSA-N 2 0 362.518 1.230 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]([NH+](CC)CC)C2)CC1 ZINC000553672113 543678328 /nfs/dbraw/zinc/67/83/28/543678328.db2.gz LSECXNPLFFHBDD-KRWDZBQOSA-N 2 0 350.507 1.086 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000557767449 544343947 /nfs/dbraw/zinc/34/39/47/544343947.db2.gz NSHQYXNQLMJASC-IAGOWNOFSA-N 2 0 350.507 1.132 20 30 FDEDRP Cc1cc(C#N)ccc1S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000331293107 259185922 /nfs/dbraw/zinc/18/59/22/259185922.db2.gz QLDBTKCHYZVQLW-UHFFFAOYSA-N 2 0 364.515 1.513 20 30 FDEDRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000333805154 259383434 /nfs/dbraw/zinc/38/34/34/259383434.db2.gz IKMDOWOTUPTIAN-QFBILLFUSA-N 2 0 355.486 1.916 20 30 FDEDRP Cc1ccc(C#N)cc1NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000057669798 522125700 /nfs/dbraw/zinc/12/57/00/522125700.db2.gz BOAYKGBVXILTKO-UHFFFAOYSA-N 2 0 373.501 1.537 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CCN(CC#N)CC1 ZINC000074134995 522689435 /nfs/dbraw/zinc/68/94/35/522689435.db2.gz DAZUQPVJNYSZES-SFHVURJKSA-N 2 0 364.538 1.032 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000116252099 525122683 /nfs/dbraw/zinc/12/26/83/525122683.db2.gz SYCFYAYXDQHRGG-PXNSSMCTSA-N 2 0 354.498 1.753 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COc1ccccc1C#N ZINC000125557828 525214745 /nfs/dbraw/zinc/21/47/45/525214745.db2.gz SFCICZQHLLCPNB-GOSISDBHSA-N 2 0 358.486 1.812 20 30 FDEDRP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177511862 525302413 /nfs/dbraw/zinc/30/24/13/525302413.db2.gz RPTJTSUWXCYLCI-KSZLIROESA-N 2 0 364.534 1.958 20 30 FDEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000154558427 525572256 /nfs/dbraw/zinc/57/22/56/525572256.db2.gz SPLVZVOMQJEORM-GOSISDBHSA-N 2 0 360.527 1.886 20 30 FDEDRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000106125333 525619803 /nfs/dbraw/zinc/61/98/03/525619803.db2.gz NTBBSZLRRLLQAN-OXQOHEQNSA-N 2 0 370.497 1.688 20 30 FDEDRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000106125331 525622197 /nfs/dbraw/zinc/62/21/97/525622197.db2.gz NTBBSZLRRLLQAN-OXJNMPFZSA-N 2 0 370.497 1.688 20 30 FDEDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1C#N ZINC000155315795 525820688 /nfs/dbraw/zinc/82/06/88/525820688.db2.gz MFYRSSHOPICTIF-UHFFFAOYSA-N 2 0 350.488 1.205 20 30 FDEDRP C[NH+](C)CCNC(=O)C1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000171657109 526062231 /nfs/dbraw/zinc/06/22/31/526062231.db2.gz UHNASOJMNXXNNR-UHFFFAOYSA-N 2 0 371.485 1.277 20 30 FDEDRP C=CCN(CC=C)C(=O)[C@H](C)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182571728 535826483 /nfs/dbraw/zinc/82/64/83/535826483.db2.gz GDFMURGIZSGBIJ-GURQWTFNSA-N 2 0 360.546 1.818 20 30 FDEDRP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182962645 535895085 /nfs/dbraw/zinc/89/50/85/535895085.db2.gz XASMKGYHOJGPPJ-KRWDZBQOSA-N 2 0 350.507 1.571 20 30 FDEDRP CCOC(=O)c1csc(CCNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)n1 ZINC000189068260 536992396 /nfs/dbraw/zinc/99/23/96/536992396.db2.gz HXORURPASZSDEZ-GFCCVEGCSA-N 2 0 353.492 1.251 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC([N@H+](C)CCO)CC1)C(C)C ZINC000274863150 537533731 /nfs/dbraw/zinc/53/37/31/537533731.db2.gz QCJXVZJAPZZPQQ-LJQANCHMSA-N 2 0 366.550 1.783 20 30 FDEDRP C=CCN1CC[C@@H]([N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)C1=O ZINC000369187620 538001909 /nfs/dbraw/zinc/00/19/09/538001909.db2.gz IVTRSXHEDFENFS-HXUWFJFHSA-N 2 0 362.562 1.901 20 30 FDEDRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)C[C@H](C)O1 ZINC000424154057 538247867 /nfs/dbraw/zinc/24/78/67/538247867.db2.gz MBKAPAUSMSWZEA-JZXOWHBKSA-N 2 0 350.507 1.745 20 30 FDEDRP CC1(C#N)CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000503249027 538790690 /nfs/dbraw/zinc/79/06/90/538790690.db2.gz RSBCVSMFAYJJPZ-UHFFFAOYSA-N 2 0 370.501 1.929 20 30 FDEDRP C[NH2+]CCCc1[n-][nH]c(=NC(=O)[C@H]2CCCCN2C2CCCC2)c1C#N ZINC000562656674 546212021 /nfs/dbraw/zinc/21/20/21/546212021.db2.gz FDYKJNCAIGUDPV-QGZVFWFLSA-N 2 0 358.490 2.169 20 30 FDEDRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000566109870 547607697 /nfs/dbraw/zinc/60/76/97/547607697.db2.gz VWALNHLWSPMJPF-QGZVFWFLSA-N 2 0 355.404 1.255 20 30 FDEDRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000566799843 547890039 /nfs/dbraw/zinc/89/00/39/547890039.db2.gz OAWFPXVGXDNUEI-INIZCTEOSA-N 2 0 359.474 1.797 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000569719151 549024872 /nfs/dbraw/zinc/02/48/72/549024872.db2.gz DFXLNSRIZWIRER-UHFFFAOYSA-N 2 0 362.518 1.230 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000575146237 550434437 /nfs/dbraw/zinc/43/44/37/550434437.db2.gz RDWMEUCXMWBWSU-KRWDZBQOSA-N 2 0 364.534 1.380 20 30 FDEDRP N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000578610042 550781977 /nfs/dbraw/zinc/78/19/77/550781977.db2.gz IPSJTKDANJIWSA-IBGZPJMESA-N 2 0 371.485 1.154 20 30 FDEDRP C[C@H]([NH3+])[C@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCO1 ZINC000593721574 552182513 /nfs/dbraw/zinc/18/25/13/552182513.db2.gz PUOIEEGZIWDLJH-HNAYVOBHSA-N 2 0 371.485 1.280 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)COC3CC[NH2+]CC3)CC2)c1 ZINC000593919166 552225484 /nfs/dbraw/zinc/22/54/84/552225484.db2.gz QOJKRUKFXNCOGV-UHFFFAOYSA-N 2 0 356.470 1.407 20 30 FDEDRP N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC2)cc1 ZINC000594536789 552330690 /nfs/dbraw/zinc/33/06/90/552330690.db2.gz IVMRJMVRJFCNQN-OAHLLOKOSA-N 2 0 369.391 1.665 20 30 FDEDRP Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000594804307 552391366 /nfs/dbraw/zinc/39/13/66/552391366.db2.gz WLSBJSMVPUWCQG-HNNXBMFYSA-N 2 0 352.504 1.417 20 30 FDEDRP C[C@]1(C#N)CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000595478876 552569750 /nfs/dbraw/zinc/56/97/50/552569750.db2.gz HCWRQMHSVAFEJU-LJQANCHMSA-N 2 0 356.474 1.539 20 30 FDEDRP CN(CCC[NH+](C)C)CCNC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000596841110 552716593 /nfs/dbraw/zinc/71/65/93/552716593.db2.gz YTRYZYKESMWVTN-UHFFFAOYSA-N 2 0 370.461 1.144 20 30 FDEDRP CN(CCOCC[NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000599922914 553174742 /nfs/dbraw/zinc/17/47/42/553174742.db2.gz RCPVBIHJSZCIGC-UHFFFAOYSA-N 2 0 359.474 1.139 20 30 FDEDRP N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCOCCC[NH3+])CC2)cc1 ZINC000599935863 553177245 /nfs/dbraw/zinc/17/72/45/553177245.db2.gz YWNJLJVSRDTRSL-UHFFFAOYSA-N 2 0 359.474 1.141 20 30 FDEDRP COc1ccc(NC(=[NH2+])NCCC[N@@H+]2CCCO[C@H](C)C2)cc1OC ZINC000277198790 674882121 /nfs/dbraw/zinc/88/21/21/674882121.db2.gz DOGMWIDCTLJDPU-CQSZACIVSA-N 2 0 350.463 1.931 20 30 FDEDRP CCCC[N@H+](C)CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089120866 671492025 /nfs/dbraw/zinc/49/20/25/671492025.db2.gz GNDWKVJEMMJRGQ-HNNXBMFYSA-N 2 0 353.511 1.599 20 30 FDEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCSC2(CCCCC2)C1 ZINC000261747415 672663956 /nfs/dbraw/zinc/66/39/56/672663956.db2.gz BWWSEVBWDMCBDS-INIZCTEOSA-N 2 0 351.564 1.313 20 30 FDEDRP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CCN(c2cccs2)CC1 ZINC000261804124 672674600 /nfs/dbraw/zinc/67/46/00/672674600.db2.gz RVQWDRSGLIKBIR-MRXNPFEDSA-N 2 0 364.563 1.081 20 30 FDEDRP CC[C@H](C)[NH+]=C(NCC(=O)N(C)C)N1CC[NH+](C2CCCCC2)CC1 ZINC000262273452 672759591 /nfs/dbraw/zinc/75/95/91/672759591.db2.gz HKSIADBJYOTDJS-INIZCTEOSA-N 2 0 351.539 1.769 20 30 FDEDRP C[NH+]=C(NCC[NH2+]C(C)(C)C)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000262799352 672850813 /nfs/dbraw/zinc/85/08/13/672850813.db2.gz QLUDGASQAABHCK-UHFFFAOYSA-N 2 0 358.552 1.383 20 30 FDEDRP CC[NH+]=C(NC[C@@H]1CCCC[N@@H+]1CC)N1CCN(C(=O)C(C)C)CC1 ZINC000262820531 672851551 /nfs/dbraw/zinc/85/15/51/672851551.db2.gz WVTRJEVOOCJWFI-KRWDZBQOSA-N 2 0 351.539 1.627 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCNc1nccc(C(F)(F)F)n1 ZINC000267442233 673304572 /nfs/dbraw/zinc/30/45/72/673304572.db2.gz PFWRKBDNSQUHCH-NSHDSACASA-N 2 0 359.400 1.296 20 30 FDEDRP COc1ccc(NC(=[NH2+])NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000303777053 676542905 /nfs/dbraw/zinc/54/29/05/676542905.db2.gz ILOHOEKHIGKKJN-ZIAGYGMSSA-N 2 0 350.463 1.930 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(OCC(F)(F)F)c1 ZINC000303872675 676543330 /nfs/dbraw/zinc/54/33/30/676543330.db2.gz CEFGFQYBZXAKOI-ZDUSSCGKSA-N 2 0 359.396 1.911 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000304749671 676544459 /nfs/dbraw/zinc/54/44/59/676544459.db2.gz HWZUJSIFOAXDON-CJNGLKHVSA-N 2 0 353.461 1.956 20 30 FDEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330170408 676676540 /nfs/dbraw/zinc/67/65/40/676676540.db2.gz DQXQILWODHSMQM-KURKYZTESA-N 2 0 352.523 1.742 20 30 FDEDRP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCCNc2ccccn2)CC1 ZINC000170905293 790725446 /nfs/dbraw/zinc/72/54/46/790725446.db2.gz AKXFQWCWMKKUFU-UHFFFAOYSA-N 2 0 362.478 1.751 20 30 FDEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001104667699 789274845 /nfs/dbraw/zinc/27/48/45/789274845.db2.gz WVRQIFYTJISBRK-KZNAEPCWSA-N 2 0 366.550 1.483 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000892851371 791454206 /nfs/dbraw/zinc/45/42/06/791454206.db2.gz ILSBRQITXXDYPV-ZWKOTPCHSA-N 2 0 350.507 1.268 20 30 FDEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001105067085 795128938 /nfs/dbraw/zinc/12/89/38/795128938.db2.gz LXGMNHUEJXZPRG-KZNAEPCWSA-N 2 0 364.534 1.237 20 30 FDEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418752061 809183503 /nfs/dbraw/zinc/18/35/03/809183503.db2.gz SFSOEHGKMVNGCG-INIZCTEOSA-N 2 0 365.428 1.629 20 30 FDEDRP C[NH+]=C(NCc1cccnc1-n1ccnc1)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262017940 811368720 /nfs/dbraw/zinc/36/87/20/811368720.db2.gz YEZWCLLSJLOPGT-PBHICJAKSA-N 2 0 353.474 1.415 20 30 FDEDRP C[NH+]=C(NCc1nncn1-c1ccccc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262479376 811475823 /nfs/dbraw/zinc/47/58/23/811475823.db2.gz RAKGQRPQGUQZRP-GOSISDBHSA-N 2 0 367.501 1.903 20 30 FDEDRP C[NH+]=C(NCc1nncn1-c1ccccc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262479378 811476127 /nfs/dbraw/zinc/47/61/27/811476127.db2.gz RAKGQRPQGUQZRP-SFHVURJKSA-N 2 0 367.501 1.903 20 30 FDEDRP C=CCN(CC=C)C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420204400 813536415 /nfs/dbraw/zinc/53/64/15/813536415.db2.gz LTFIPQYQCNSLSB-UHFFFAOYSA-N 2 0 370.497 1.297 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COc1ccc(C#N)cc1 ZINC000505825322 816532052 /nfs/dbraw/zinc/53/20/52/816532052.db2.gz PBWLLWMGFCRMEK-SFHVURJKSA-N 2 0 358.486 1.812 20 30 FDEDRP Cc1nnc(CNC(=[NH+]C2CCCC2)N2CC[C@H](C[NH+]3CCCC3)C2)n1C ZINC000261953675 817611287 /nfs/dbraw/zinc/61/12/87/817611287.db2.gz IEEVWENKOHZTNG-QGZVFWFLSA-N 2 0 373.549 1.929 20 30 FDEDRP CC(C)CNC(=O)NC(=O)[C@H](C)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330623476 819628838 /nfs/dbraw/zinc/62/88/38/819628838.db2.gz PQCCYSWDLJJOCL-CVEARBPZSA-N 2 0 367.538 1.161 20 30 FDEDRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C[C@@H]1C ZINC000330823852 819644671 /nfs/dbraw/zinc/64/46/71/819644671.db2.gz DXCMMVZCMSHTFR-GJZGRUSLSA-N 2 0 366.481 1.688 20 30 FDEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccc(C#N)cc3)CC[C@@H]2C1 ZINC001087908630 823745603 /nfs/dbraw/zinc/74/56/03/823745603.db2.gz ILQXLOBSEGJWIX-HSALFYBXSA-N 2 0 352.482 1.933 20 30 FDEDRP C[NH+]1CCC(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)(N2CCCCC2)CC1 ZINC000439612676 825396048 /nfs/dbraw/zinc/39/60/48/825396048.db2.gz SFLQBBKWPQNJIJ-LJQANCHMSA-N 2 0 369.513 1.625 20 30 FDEDRP C[C@@H]1CN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@@H]1[NH+](C)C ZINC000329840671 825497886 /nfs/dbraw/zinc/49/78/86/825497886.db2.gz WLRSDDCDQTXTBV-WBVHZDCISA-N 2 0 360.506 1.129 20 30 FDEDRP C[N@@H+]1CC[C@@]2(CCN(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)C2)C1 ZINC000330190569 825722979 /nfs/dbraw/zinc/72/29/79/825722979.db2.gz WGHHOORNEZHXIV-HXUWFJFHSA-N 2 0 357.502 1.988 20 30 FDEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112196333 829397420 /nfs/dbraw/zinc/39/74/20/829397420.db2.gz DAIAXUFSPYFOBU-HUUCEWRRSA-N 2 0 363.424 1.347 20 30 FDEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000451982877 830483503 /nfs/dbraw/zinc/48/35/03/830483503.db2.gz KGICIRDMFFQLMM-UHFFFAOYSA-N 2 0 361.490 1.712 20 30 FDEDRP C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N[C@H]1CCN(C2CC2)C1 ZINC000262839073 831638438 /nfs/dbraw/zinc/63/84/38/831638438.db2.gz WXJRRLNAKJUGSM-INIZCTEOSA-N 2 0 353.474 1.477 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105637063 842270560 /nfs/dbraw/zinc/27/05/60/842270560.db2.gz IXXKPGUDPUMATN-MLYOOKFZSA-N 2 0 361.530 1.460 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[NH+](CC)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105661063 842653714 /nfs/dbraw/zinc/65/37/14/842653714.db2.gz DHIOOZXMHXLFEH-JYBIWHBTSA-N 2 0 351.535 1.870 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@@H+](C)CCC)[C@@H]2C(C)C)C[C@H]1O ZINC001105668693 843831010 /nfs/dbraw/zinc/83/10/10/843831010.db2.gz MARUNIBXVUWWNT-HNBVOPMISA-N 2 0 351.535 1.870 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C(C)C)C[C@H]1O ZINC001105668599 843837355 /nfs/dbraw/zinc/83/73/55/843837355.db2.gz LGZIEMMWJPAERO-UKAVVXHISA-N 2 0 363.546 1.708 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC[C@@H]4CCCO4)C[C@H]32)CC1 ZINC001076604661 848554715 /nfs/dbraw/zinc/55/47/15/848554715.db2.gz PUSUIDUGAVXASB-SLFFLAALSA-N 2 0 359.514 1.433 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nc3C)[C@@H]2C)CC1 ZINC001089060211 866390169 /nfs/dbraw/zinc/39/01/69/866390169.db2.gz YZIFAKBVYAACHJ-APWZRJJASA-N 2 0 357.502 1.153 20 30 FDEDRP C#CCN(C(=O)NC1CC[NH+](Cc2ccncc2)CC1)C1CC[NH+](C)CC1 ZINC000914252053 872017594 /nfs/dbraw/zinc/01/75/94/872017594.db2.gz QGLYFTFRDFIJQX-UHFFFAOYSA-N 2 0 369.513 1.785 20 30 FDEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106249848 874140504 /nfs/dbraw/zinc/14/05/04/874140504.db2.gz SQSYFLGAENQTPQ-KURKYZTESA-N 2 0 364.534 1.236 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000917091636 882971085 /nfs/dbraw/zinc/97/10/85/882971085.db2.gz AABQSHIQPUIJPH-IAGOWNOFSA-N 2 0 352.548 1.906 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)CC1 ZINC000917137187 883109759 /nfs/dbraw/zinc/10/97/59/883109759.db2.gz MFPILXGLGBJZBF-GOSISDBHSA-N 2 0 364.534 1.922 20 30 FDEDRP C=CCC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](n2ccnn2)C1 ZINC001129080016 885689038 /nfs/dbraw/zinc/68/90/38/885689038.db2.gz MWSBNCHVMJLIAS-MSOLQXFVSA-N 2 0 369.473 1.117 20 30 FDEDRP C[NH+](C)C1(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000922985784 887669831 /nfs/dbraw/zinc/66/98/31/887669831.db2.gz KIUHWAXQZIKZPN-UHFFFAOYSA-N 2 0 355.486 1.916 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000923350752 888983565 /nfs/dbraw/zinc/98/35/65/888983565.db2.gz NYOVQYLUQJVYNM-SBHAEUEKSA-N 2 0 351.450 1.972 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000923378676 889052990 /nfs/dbraw/zinc/05/29/90/889052990.db2.gz LFKVFLJOLJYQDD-QWFCFKBJSA-N 2 0 359.470 1.516 20 30 FDEDRP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001212295454 889936704 /nfs/dbraw/zinc/93/67/04/889936704.db2.gz QROLOGNPYLWKSK-CGTJXYLNSA-N 2 0 363.506 1.228 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ccccc3C)C[C@H]2O)CC1 ZINC001078228084 898431116 /nfs/dbraw/zinc/43/11/16/898431116.db2.gz CBEYYHIPTZCLAF-IOMROCGXSA-N 2 0 369.509 1.563 20 30 FDEDRP C[C@@](CO)([NH2+]CC#CC[NH2+][C@](C)(CO)c1ccccc1)c1ccccc1 ZINC000671241267 899703638 /nfs/dbraw/zinc/70/36/38/899703638.db2.gz OFJVADSSOPJKTA-SZPZYZBQSA-N 2 0 352.478 1.984 20 30 FDEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001079146530 901967015 /nfs/dbraw/zinc/96/70/15/901967015.db2.gz RWFJQZXZZQUZAP-WOJBJXKFSA-N 2 0 369.509 1.732 20 30 FDEDRP C=C(C)C[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079146697 901967427 /nfs/dbraw/zinc/96/74/27/901967427.db2.gz BKMHTSAOLUUOLS-VAMGGRTRSA-N 2 0 357.498 1.588 20 30 FDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079258071 902290761 /nfs/dbraw/zinc/29/07/61/902290761.db2.gz LVLGSRPWTIWKSM-RBUKOAKNSA-N 2 0 361.530 1.844 20 30 FDEDRP C#CCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259505 902294792 /nfs/dbraw/zinc/29/47/92/902294792.db2.gz DAVNMHXYCDZIQA-GBESFXJTSA-N 2 0 359.514 1.291 20 30 FDEDRP CC#CC[NH+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]3COC[C@@H]32)CC1 ZINC001079270311 902328567 /nfs/dbraw/zinc/32/85/67/902328567.db2.gz LWEVCDIPQLCEOA-ZWKOTPCHSA-N 2 0 357.498 1.045 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1ccccc1F ZINC001079302089 902351095 /nfs/dbraw/zinc/35/10/95/902351095.db2.gz QBIHCBLWHXLWHN-PKOBYXMFSA-N 2 0 355.457 1.971 20 30 FDEDRP C#CCC[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001127888396 907487660 /nfs/dbraw/zinc/48/76/60/907487660.db2.gz NHWWLTDTTIPLDP-NZSAHSFTSA-N 2 0 370.497 1.514 20 30 FDEDRP C#CCN(C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CC[NH+](C)CC1 ZINC000921533878 907639388 /nfs/dbraw/zinc/63/93/88/907639388.db2.gz YMGKYJFLYFDFGW-RBUKOAKNSA-N 2 0 362.518 1.103 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001082448242 907814352 /nfs/dbraw/zinc/81/43/52/907814352.db2.gz JGOAJDZHMRHUQO-OLMNPRSZSA-N 2 0 356.470 1.598 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C)ns3)C2)CC1 ZINC001082941018 911015054 /nfs/dbraw/zinc/01/50/54/911015054.db2.gz JIHUEOQZSGDACO-RDTXWAMCSA-N 2 0 360.527 1.733 20 30 FDEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084675656 916048322 /nfs/dbraw/zinc/04/83/22/916048322.db2.gz SSXZMVSHVVNZAC-MXEMCNAFSA-N 2 0 351.494 1.888 20 30 FDEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#CCOC)C1 ZINC001112586171 931772175 /nfs/dbraw/zinc/77/21/75/931772175.db2.gz KUONVLDMAKDWOS-ZVDOUQERSA-N 2 0 361.530 1.729 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1n1ccnn1 ZINC001130134194 938708877 /nfs/dbraw/zinc/70/88/77/938708877.db2.gz WYTKVECLXWUNFJ-MOPGFXCFSA-N 2 0 366.469 1.018 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1c1cn(C)cn1 ZINC001130596878 939903988 /nfs/dbraw/zinc/90/39/88/939903988.db2.gz VDNYGSCQCKZNHY-RNIPGJKVSA-N 2 0 359.518 1.611 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1cn(C)cn1 ZINC001130607429 939918593 /nfs/dbraw/zinc/91/85/93/939918593.db2.gz AATDHMSPBQJPIB-FUHWJXTLSA-N 2 0 359.518 1.755 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1c1cn(C)cn1 ZINC001130714853 940006752 /nfs/dbraw/zinc/00/67/52/940006752.db2.gz MWSRZTAAPYLAEJ-FUHWJXTLSA-N 2 0 368.485 1.655 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1c1cncn1C ZINC001131003518 940429754 /nfs/dbraw/zinc/42/97/54/940429754.db2.gz IDTVQVMWRDBOCY-IXDOHACOSA-N 2 0 363.481 1.007 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001131007667 940434057 /nfs/dbraw/zinc/43/40/57/940434057.db2.gz FGVNXGPMSYNGEA-IPMKNSEASA-N 2 0 371.529 1.590 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131042036 940471479 /nfs/dbraw/zinc/47/14/79/940471479.db2.gz JZEKFAGONDWNGM-IAGOWNOFSA-N 2 0 357.502 1.202 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@H]1c1cncn1C ZINC001131091263 940495544 /nfs/dbraw/zinc/49/55/44/940495544.db2.gz CLMXWGZKXCYBRQ-LMMKCTJWSA-N 2 0 361.534 1.857 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086874663 952924661 /nfs/dbraw/zinc/92/46/61/952924661.db2.gz NCEZWVJETPYZJN-YQVWRLOYSA-N 2 0 370.497 1.893 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001086990666 953018667 /nfs/dbraw/zinc/01/86/67/953018667.db2.gz OKNCHSCHIJGOSS-ZWKOTPCHSA-N 2 0 359.518 1.755 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C[C@H]1c1cnn(C)c1 ZINC001087004883 953063230 /nfs/dbraw/zinc/06/32/30/953063230.db2.gz AYFDFOMINPCHBU-XUVXKRRUSA-N 2 0 371.529 1.592 20 30 FDEDRP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@H+](Cc1ccc(C#N)s1)C2 ZINC001092275542 954668613 /nfs/dbraw/zinc/66/86/13/954668613.db2.gz HZYRIHZXHGBYMN-BEFAXECRSA-N 2 0 358.511 1.996 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3conc3C)C[C@H]2C)CC1 ZINC001093224333 957854117 /nfs/dbraw/zinc/85/41/17/957854117.db2.gz QRJSEGJQLMBQBG-CRAIPNDOSA-N 2 0 358.486 1.512 20 30 FDEDRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001094169855 959962755 /nfs/dbraw/zinc/96/27/55/959962755.db2.gz ZFBDYNYTOABUNH-VQIMIIECSA-N 2 0 352.482 1.838 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)ncn3)[C@H](C)C2)CC1 ZINC001094240002 960158261 /nfs/dbraw/zinc/15/82/61/960158261.db2.gz MJMQBELWHPADFX-VQIMIIECSA-N 2 0 369.513 1.314 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]C[C@@H]3CCCCO3)[C@H](C)C2)CC1 ZINC001094240099 960159229 /nfs/dbraw/zinc/15/92/29/960159229.db2.gz OHTYOOQUSXGKRS-RLLQIKCJSA-N 2 0 361.530 1.585 20 30 FDEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474397 960641580 /nfs/dbraw/zinc/64/15/80/960641580.db2.gz XTCUSBJHNNOMFW-HSGZRYJKSA-N 2 0 359.514 1.787 20 30 FDEDRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172978901 961862528 /nfs/dbraw/zinc/86/25/28/961862528.db2.gz OFAZSHBFLCFPOS-KKUMJFAQSA-N 2 0 367.494 1.111 20 30 FDEDRP C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001182693533 962446513 /nfs/dbraw/zinc/44/65/13/962446513.db2.gz VTKSEYIDBSFZMB-FGTMMUONSA-N 2 0 364.534 1.332 20 30 FDEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001183043260 962754986 /nfs/dbraw/zinc/75/49/86/962754986.db2.gz OAVCERHHVFSCAG-UHFFFAOYSA-N 2 0 370.497 1.931 20 30 FDEDRP C=C(C[NH+]1CCCC1)C(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001183043533 962756539 /nfs/dbraw/zinc/75/65/39/962756539.db2.gz SYJFCPQCFZAAOV-UHFFFAOYSA-N 2 0 368.441 1.296 20 30 FDEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001183091970 962793341 /nfs/dbraw/zinc/79/33/41/962793341.db2.gz RVPQDPISXMMZAN-UHFFFAOYSA-N 2 0 370.497 1.275 20 30 FDEDRP COc1ccc([C@@H](CNC(=O)C#CC2CC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000852853987 967659571 /nfs/dbraw/zinc/65/95/71/967659571.db2.gz BINHSPQVGHBYGB-HXUWFJFHSA-N 2 0 355.482 1.951 20 30 FDEDRP Cc1cccc(N2CC[NH+](CCCNC(=O)C#CC3CC[NH2+]CC3)CC2)c1 ZINC000852873548 967680137 /nfs/dbraw/zinc/68/01/37/967680137.db2.gz YIJGIYBLKDYALZ-UHFFFAOYSA-N 2 0 368.525 1.626 20 30 FDEDRP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190370627 967803496 /nfs/dbraw/zinc/80/34/96/967803496.db2.gz IILKKGVDJIPURF-ZWKOTPCHSA-N 2 0 362.518 1.060 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@H]1C[NH+](C)C ZINC000867589921 976447682 /nfs/dbraw/zinc/44/76/82/976447682.db2.gz SKTQFISGOPNHBR-QZTJIDSGSA-N 2 0 364.515 1.059 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868229553 977366127 /nfs/dbraw/zinc/36/61/27/977366127.db2.gz OOJUXCXWTBFGHO-ZWKOTPCHSA-N 2 0 356.470 1.596 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849522199 977717406 /nfs/dbraw/zinc/71/74/06/977717406.db2.gz JWRHRHFZJIQNGE-OALUTQOASA-N 2 0 359.518 1.612 20 30 FDEDRP CC[N@@H+]1CC[C@H]1CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000883711607 982407975 /nfs/dbraw/zinc/40/79/75/982407975.db2.gz SPRRMWGHNSXCOY-IBGZPJMESA-N 2 0 355.486 1.916 20 30 FDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC000884006918 982697901 /nfs/dbraw/zinc/69/79/01/982697901.db2.gz INMCOEXXQNFLLG-OBXNSHGQSA-N 2 0 352.482 1.860 20 30 FDEDRP C[NH+](C)CCOc1ccccc1CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884201690 982977137 /nfs/dbraw/zinc/97/71/37/982977137.db2.gz FEBMMUZCKKTYOJ-GNZRSQJKSA-N 2 0 356.470 1.383 20 30 FDEDRP Cc1cc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)n(C2CC[NH+](C)CC2)n1 ZINC000884225632 982999255 /nfs/dbraw/zinc/99/92/55/982999255.db2.gz YPSRASDUBAAWDH-XAUUPUKJSA-N 2 0 356.474 1.536 20 30 FDEDRP CC[NH+]1CCN(c2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)cc2)CC1 ZINC000884233447 983007498 /nfs/dbraw/zinc/00/74/98/983007498.db2.gz QMZTWEKLKXTRRM-BATSVXPKSA-N 2 0 367.497 1.906 20 30 FDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000884316206 983077713 /nfs/dbraw/zinc/07/77/13/983077713.db2.gz MHDOPEBMSYLLTG-GNZRSQJKSA-N 2 0 353.470 1.554 20 30 FDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000884448921 983161710 /nfs/dbraw/zinc/16/17/10/983161710.db2.gz PXYALNBZFKEIQS-HOIRFXKYSA-N 2 0 352.482 1.764 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3c(C#N)c[nH]c3c2)C[C@H]1C[NH+](C)C ZINC000870016186 985516348 /nfs/dbraw/zinc/51/63/48/985516348.db2.gz FNDCGIPKTIRKJE-IAGOWNOFSA-N 2 0 353.470 1.851 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2cccc(OCC#N)c2)C[C@H]1C[NH+](C)C ZINC000870022497 985529126 /nfs/dbraw/zinc/52/91/26/985529126.db2.gz UCNKCOAMMNEZCA-QZTJIDSGSA-N 2 0 358.486 1.329 20 30 FDEDRP C#CC[N@H+](C)CCCNC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000296660450 989351356 /nfs/dbraw/zinc/35/13/56/989351356.db2.gz NXCWNHGAZHLCIT-IBGZPJMESA-N 2 0 358.486 1.008 20 30 FDEDRP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876776628 992901766 /nfs/dbraw/zinc/90/17/66/992901766.db2.gz GGUZDNKMHPIFMD-FQEVSTJZSA-N 2 0 370.497 1.751 20 30 FDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000876780995 992906816 /nfs/dbraw/zinc/90/68/16/992906816.db2.gz LLVDRZZOOHVSOK-ZWKOTPCHSA-N 2 0 364.921 1.951 20 30 FDEDRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000877034034 993022409 /nfs/dbraw/zinc/02/24/09/993022409.db2.gz WFNOAUILZWURHM-LJQANCHMSA-N 2 0 368.481 1.458 20 30 FDEDRP CC[C@@H]1C[NH+](Cc2cc(C#N)cc(C[N@@H+]3C[C@H](O)[C@H](CC)C3)c2)C[C@@H]1O ZINC000878322068 993906204 /nfs/dbraw/zinc/90/62/04/993906204.db2.gz WFZNGDYGJBNVFQ-CGXNFDGLSA-N 2 0 357.498 1.964 20 30 FDEDRP [NH2+]=C(NCCCN1CCOCC1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000264137485 997411729 /nfs/dbraw/zinc/41/17/29/997411729.db2.gz VOMHFJWAYAJRJN-UHFFFAOYSA-N 2 0 373.545 1.799 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](CC(=C)C)CC2)CC1 ZINC000264359540 997477018 /nfs/dbraw/zinc/47/70/18/997477018.db2.gz GCZKWMCBFPKTQH-UHFFFAOYSA-N 2 0 362.518 1.300 20 30 FDEDRP CC(C)CC[NH+]1CCC(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1 ZINC000267457843 999341199 /nfs/dbraw/zinc/34/11/99/999341199.db2.gz IQPHASUMZUZEMN-UHFFFAOYSA-N 2 0 373.549 1.671 20 30 FDEDRP CC1CCN(C(=[NH2+])NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000267469437 999343679 /nfs/dbraw/zinc/34/36/79/999343679.db2.gz XHINTCBNGAVKHX-IBGZPJMESA-N 2 0 371.529 1.931 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000270817664 999619210 /nfs/dbraw/zinc/61/92/10/999619210.db2.gz HXSPHMKGNIGRAX-LEWJYISDSA-N 2 0 369.509 1.331 20 30 FDEDRP COc1ccc(NC(=[NH2+])NCc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000303769423 1009572146 /nfs/dbraw/zinc/57/21/46/1009572146.db2.gz BALNUQMKARKBOI-UHFFFAOYSA-N 2 0 354.458 1.769 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000553361797 543619283 /nfs/dbraw/zinc/61/92/83/543619283.db2.gz RVAZJUFTNMPCEZ-KRWDZBQOSA-N 2 0 362.518 1.276 20 30 FDEDRP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000328960709 259068937 /nfs/dbraw/zinc/06/89/37/259068937.db2.gz QJGKVACXCBPXNZ-YFVAEKQCSA-N 2 0 372.513 1.256 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000069937300 521983627 /nfs/dbraw/zinc/98/36/27/521983627.db2.gz WVAANDLQPGOZHT-GOSISDBHSA-N 2 0 364.534 1.781 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)CC1 ZINC000074132445 522688886 /nfs/dbraw/zinc/68/88/86/522688886.db2.gz ZSJRKKMROAZYSF-IBGZPJMESA-N 3 0 365.566 1.694 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000172351759 524207762 /nfs/dbraw/zinc/20/77/62/524207762.db2.gz CCSPLUDDULZZKH-MRXNPFEDSA-N 2 0 350.507 1.437 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CC1 ZINC000172751292 524267236 /nfs/dbraw/zinc/26/72/36/524267236.db2.gz MWEOXRLXNMHIPF-UHFFFAOYSA-N 2 0 360.546 1.398 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCN(c2ccccc2OC)C1 ZINC000104183530 525400305 /nfs/dbraw/zinc/40/03/05/525400305.db2.gz BAGVOLAZYZJPJM-DLBZAZTESA-N 2 0 359.518 1.910 20 30 FDEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181631175 525883735 /nfs/dbraw/zinc/88/37/35/525883735.db2.gz OFMWZKRBZABWIJ-HZPDHXFCSA-N 2 0 360.477 1.756 20 30 FDEDRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(C#N)cs1 ZINC000120419699 526057337 /nfs/dbraw/zinc/05/73/37/526057337.db2.gz WJZGUERYMXIYLF-SFHVURJKSA-N 2 0 356.495 1.998 20 30 FDEDRP C[C@@](C#N)(NC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)C1CC1 ZINC000182963118 535894760 /nfs/dbraw/zinc/89/47/60/535894760.db2.gz RDIAMKBZWBFBPD-FQEVSTJZSA-N 2 0 362.518 1.619 20 30 FDEDRP CC[NH+]=C(NCc1cccc(-n2cncn2)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262829255 536912275 /nfs/dbraw/zinc/91/22/75/536912275.db2.gz ZHPPEYSWKUPHOB-LJQANCHMSA-N 2 0 365.485 1.679 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCn1cc(Br)cn1 ZINC000279881047 537357641 /nfs/dbraw/zinc/35/76/41/537357641.db2.gz AYWLBJAIBBRFIT-AWEZNQCLSA-N 2 0 371.327 1.814 20 30 FDEDRP C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275773372 537564535 /nfs/dbraw/zinc/56/45/35/537564535.db2.gz DQBGDHIKKNUFBC-UHFFFAOYSA-N 2 0 373.501 1.423 20 30 FDEDRP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)ccc1C#N ZINC000285592200 537734874 /nfs/dbraw/zinc/73/48/74/537734874.db2.gz UQYBPGDDFKMNCT-AYHJJNSGSA-N 2 0 356.470 1.740 20 30 FDEDRP COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000371260013 537792988 /nfs/dbraw/zinc/79/29/88/537792988.db2.gz XBSIFSIHUGVERX-IBGZPJMESA-N 2 0 372.513 1.905 20 30 FDEDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000375900492 537794942 /nfs/dbraw/zinc/79/49/42/537794942.db2.gz HCJUPPCNLHEQFZ-HXUWFJFHSA-N 2 0 369.513 1.987 20 30 FDEDRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000502080045 538713874 /nfs/dbraw/zinc/71/38/74/538713874.db2.gz UICVKOBLLRAMCO-KRWDZBQOSA-N 2 0 358.486 1.417 20 30 FDEDRP Cn1cc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)cc1C#N ZINC000480370733 538852016 /nfs/dbraw/zinc/85/20/16/538852016.db2.gz MVSZNRYXBAYCDO-UHFFFAOYSA-N 2 0 353.474 1.379 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000561415089 545838158 /nfs/dbraw/zinc/83/81/58/545838158.db2.gz WCPQJFWLUZGNSD-UHFFFAOYSA-N 2 0 364.534 1.332 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000561451045 545856290 /nfs/dbraw/zinc/85/62/90/545856290.db2.gz ZYZZKWVROKOQSJ-WBVHZDCISA-N 2 0 350.507 1.084 20 30 FDEDRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@H]([NH3+])CCCC#N ZINC000566197303 547654403 /nfs/dbraw/zinc/65/44/03/547654403.db2.gz UYDLKRNUKUYXGR-LJQANCHMSA-N 2 0 363.550 1.662 20 30 FDEDRP N#Cc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000569921095 549095205 /nfs/dbraw/zinc/09/52/05/549095205.db2.gz OIRKPMJSHMRHQC-HKUYNNGSSA-N 2 0 359.470 1.388 20 30 FDEDRP CC(C)[N@@H+]1CCC[C@@H](CNCCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000573357601 550119602 /nfs/dbraw/zinc/11/96/02/550119602.db2.gz DSZLMRRDSRWNNT-INIZCTEOSA-N 2 0 350.488 1.437 20 30 FDEDRP N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000591358526 551865738 /nfs/dbraw/zinc/86/57/38/551865738.db2.gz BSAREAVVBCRLRA-IBGZPJMESA-N 2 0 355.486 1.918 20 30 FDEDRP N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000591360429 551866236 /nfs/dbraw/zinc/86/62/36/551866236.db2.gz UKFXZVZXOROIPV-LJQANCHMSA-N 2 0 355.486 1.918 20 30 FDEDRP N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCC3(C[NH3+])CC3)CC2)cc1 ZINC000593714816 552181047 /nfs/dbraw/zinc/18/10/47/552181047.db2.gz BQRBRKBMPGBASU-UHFFFAOYSA-N 2 0 355.486 1.905 20 30 FDEDRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593722820 552182818 /nfs/dbraw/zinc/18/28/18/552182818.db2.gz ZDXKJXYNBVFOJU-MAUKXSAKSA-N 2 0 355.486 1.901 20 30 FDEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000594439103 552310399 /nfs/dbraw/zinc/31/03/99/552310399.db2.gz NVWSDUHDEZAMMH-QGZVFWFLSA-N 2 0 350.507 1.797 20 30 FDEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599930016 553175665 /nfs/dbraw/zinc/17/56/65/553175665.db2.gz YHLPFIGGSLQOQD-SFHVURJKSA-N 2 0 355.486 1.916 20 30 FDEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000611386256 554630493 /nfs/dbraw/zinc/63/04/93/554630493.db2.gz HJCPCYZHUDMISM-APWZRJJASA-N 2 0 358.486 1.682 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000277504160 674956493 /nfs/dbraw/zinc/95/64/93/674956493.db2.gz VTLXTWZEEIIROL-CYBMUJFWSA-N 2 0 372.922 1.632 20 30 FDEDRP C[NH+]=C(NCc1sc(C)nc1C)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000128707694 671779391 /nfs/dbraw/zinc/77/93/91/671779391.db2.gz ZDPAYKRUPXARGX-OAHLLOKOSA-N 2 0 365.547 1.926 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ncccc1C(F)(F)F ZINC000160517833 672002506 /nfs/dbraw/zinc/00/25/06/672002506.db2.gz SZDHIALPQWNGHD-GFCCVEGCSA-N 2 0 359.396 1.868 20 30 FDEDRP CC[NH+]=C(NCC1CC[NH+](C)CC1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261958689 672702041 /nfs/dbraw/zinc/70/20/41/672702041.db2.gz OYUKWSYIKVGRCI-UHFFFAOYSA-N 2 0 351.539 1.625 20 30 FDEDRP C[NH+]=C(NCC1([NH+]2CCSCC2)CCCC1)N1CC[C@H](COC)C1 ZINC000262446806 672790721 /nfs/dbraw/zinc/79/07/21/672790721.db2.gz IZVMZPSCOQOUHL-INIZCTEOSA-N 2 0 354.564 1.892 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(OC)c(OC)c(OC)c1 ZINC000264140210 672902996 /nfs/dbraw/zinc/90/29/96/672902996.db2.gz WIZUATKKEAVEKK-AWEZNQCLSA-N 2 0 350.463 1.601 20 30 FDEDRP COc1ccc(NC(=[NH2+])NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1OC ZINC000303787825 676542998 /nfs/dbraw/zinc/54/29/98/676542998.db2.gz SWXHFUFGFHFUIQ-OAHLLOKOSA-N 2 0 350.463 1.787 20 30 FDEDRP CC1CC[NH+](CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000330183389 676677037 /nfs/dbraw/zinc/67/70/37/676677037.db2.gz PXFXZCVKVHMZKA-MSOLQXFVSA-N 2 0 352.523 1.600 20 30 FDEDRP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369388118 677505394 /nfs/dbraw/zinc/50/53/94/677505394.db2.gz FCKSCZGFLZYORO-OALUTQOASA-N 2 0 350.551 1.900 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489052222 687074833 /nfs/dbraw/zinc/07/48/33/687074833.db2.gz UIGHVUDYIRMGRV-UHFFFAOYSA-N 2 0 370.494 1.591 20 30 FDEDRP CO[C@H]1C[C@@H](C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)[N@H+](C)C1 ZINC000329042152 782333292 /nfs/dbraw/zinc/33/32/92/782333292.db2.gz TTWFBJSFOJLMRV-OALUTQOASA-N 2 0 361.486 1.819 20 30 FDEDRP C#CCCN1C[C@H]2OCCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193939 771223071 /nfs/dbraw/zinc/22/30/71/771223071.db2.gz NWZDHWSCDWGAQA-FRQCXROJSA-N 2 0 351.466 1.134 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001104289530 773583769 /nfs/dbraw/zinc/58/37/69/773583769.db2.gz LXYWUWNHBDZPAP-BRWVUGGUSA-N 2 0 364.534 1.236 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659076975 787951656 /nfs/dbraw/zinc/95/16/56/787951656.db2.gz CKVHUECIEJLJLJ-GOSISDBHSA-N 2 0 372.469 1.053 20 30 FDEDRP COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001112530347 806570169 /nfs/dbraw/zinc/57/01/69/806570169.db2.gz POEMSVVYSOVJIY-RXVVDRJESA-N 2 0 361.530 1.586 20 30 FDEDRP C=CC[C@@]1(C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCC[NH2+]1 ZINC000663018673 804899954 /nfs/dbraw/zinc/89/99/54/804899954.db2.gz XVFALMRBUVPRTP-UZLBHIALSA-N 2 0 372.517 1.224 20 30 FDEDRP COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001112531599 807081242 /nfs/dbraw/zinc/08/12/42/807081242.db2.gz HIRAXIPEWCWQHH-RXVVDRJESA-N 2 0 363.546 1.832 20 30 FDEDRP C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1cncn1C)C2 ZINC001112532355 807220101 /nfs/dbraw/zinc/22/01/01/807220101.db2.gz WSBFJLKJHGMTJB-OOSNJVJTSA-N 2 0 372.513 1.945 20 30 FDEDRP C[NH+]=C(NC[C@H](O)c1cc2ccccc2s1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000261751066 810704207 /nfs/dbraw/zinc/70/42/07/810704207.db2.gz LWTAGAFEYLBCLC-HOTGVXAUSA-N 2 0 373.526 1.100 20 30 FDEDRP Cc1nnc(CNC(=[NH+]C2CCCCC2)N2CC[C@@H]([NH+]3CC=CC3)C2)n1C ZINC000261943114 811349335 /nfs/dbraw/zinc/34/93/35/811349335.db2.gz DZOIENYNUHNUOS-GOSISDBHSA-N 2 0 371.533 1.848 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000419723992 812137582 /nfs/dbraw/zinc/13/75/82/812137582.db2.gz GPMSQXNCTYDSKP-UHFFFAOYSA-N 2 0 364.534 1.572 20 30 FDEDRP C[NH+]=C(NCc1nnc(C)n1C)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000261942708 817017453 /nfs/dbraw/zinc/01/74/53/817017453.db2.gz DXOJVQZQIYCSDS-UHFFFAOYSA-N 2 0 361.538 1.832 20 30 FDEDRP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261947542 817288787 /nfs/dbraw/zinc/28/87/87/817288787.db2.gz GIYRCYIUERCJIE-FUHWJXTLSA-N 3 0 363.550 1.279 20 30 FDEDRP C[NH+]=C(NCC1(N2CCCCC2)CC[NH+](C)CC1)N(C)Cc1cccn1C ZINC000261950143 817540532 /nfs/dbraw/zinc/54/05/32/817540532.db2.gz HCNDKUCIGMCBBR-UHFFFAOYSA-N 2 0 374.577 1.983 20 30 FDEDRP COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N ZINC000983705685 818627498 /nfs/dbraw/zinc/62/74/98/818627498.db2.gz ZATKKAGUZVIIFU-YCEFEEMOSA-N 2 0 370.497 1.891 20 30 FDEDRP N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cc1 ZINC001075798509 820435255 /nfs/dbraw/zinc/43/52/55/820435255.db2.gz CXOYJXXTASPURN-PCCBWWKXSA-N 2 0 364.493 1.933 20 30 FDEDRP C=C(Br)CN1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075799879 820485234 /nfs/dbraw/zinc/48/52/34/820485234.db2.gz LLXCZZPZFRREHG-HRCADAONSA-N 2 0 368.319 1.770 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ocnc3C)[C@@H]2CC)CC1 ZINC001087840354 822559469 /nfs/dbraw/zinc/55/94/69/822559469.db2.gz UAIVFPJEEVVJPX-ZWKOTPCHSA-N 2 0 358.486 1.797 20 30 FDEDRP C[NH+]1CCC(N2CC[C@H](NC(=O)c3[nH]c4ccccc4c3C#N)C2)CC1 ZINC000896325139 824300598 /nfs/dbraw/zinc/30/05/98/824300598.db2.gz NVAJOHHTVLHIBF-AWEZNQCLSA-N 2 0 351.454 1.938 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](C[C@H]4CCOC4)CC[C@@H]3C2)CC1 ZINC001088211888 827492768 /nfs/dbraw/zinc/49/27/68/827492768.db2.gz DYUMUMODEGPRQU-RLLQIKCJSA-N 2 0 359.514 1.148 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4ocnc4C)CC[C@@H]3C2)CC1 ZINC001088211958 827493057 /nfs/dbraw/zinc/49/30/57/827493057.db2.gz IDFMKQMRKDVAQO-MOPGFXCFSA-N 2 0 370.497 1.609 20 30 FDEDRP C[NH+]=C(NCC1(N(C)C)Cc2ccccc2C1)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000262674568 830031235 /nfs/dbraw/zinc/03/12/35/830031235.db2.gz QNXREISUBCVCNH-VQIMIIECSA-N 2 0 369.557 1.876 20 30 FDEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000451983321 830483398 /nfs/dbraw/zinc/48/33/98/830483398.db2.gz KOTCLHRKSAQQJU-UHFFFAOYSA-N 2 0 357.502 1.180 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105668804 844095790 /nfs/dbraw/zinc/09/57/90/844095790.db2.gz NATFMXCFMMHVON-RMVXJAJNSA-N 2 0 363.546 1.708 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105660699 842573185 /nfs/dbraw/zinc/57/31/85/842573185.db2.gz YJYOTQFWQJYLGG-XCJLJZCSSA-N 2 0 361.530 1.318 20 30 FDEDRP N#C[C@@H]1CCC[C@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000461968742 843265448 /nfs/dbraw/zinc/26/54/48/843265448.db2.gz VVOOOSNABBHETG-FUHWJXTLSA-N 2 0 356.474 1.585 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C(C)C)C[C@H]1O ZINC001105667075 843500755 /nfs/dbraw/zinc/50/07/55/843500755.db2.gz NRFVEXMKWJDWKC-WIRSXHRWSA-N 2 0 361.530 1.624 20 30 FDEDRP C=CCN1CC[C@@H]([NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC001005407223 883298074 /nfs/dbraw/zinc/29/80/74/883298074.db2.gz NTEZYKQDABJMGK-KBAYOESNSA-N 2 0 362.518 1.036 20 30 FDEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129219935 886602268 /nfs/dbraw/zinc/60/22/68/886602268.db2.gz OPQOGDMKNIUIDK-ZACQAIPSSA-N 2 0 360.506 1.316 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000923375510 889044817 /nfs/dbraw/zinc/04/48/17/889044817.db2.gz NHONJFAEMWGCLI-WSTZPKSXSA-N 2 0 359.470 1.516 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000923408196 889172470 /nfs/dbraw/zinc/17/24/70/889172470.db2.gz AVTMMAFOEQTKIW-RTBURBONSA-N 2 0 359.470 1.388 20 30 FDEDRP COCC[N@@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000265794708 893185709 /nfs/dbraw/zinc/18/57/09/893185709.db2.gz XQVYNZQTEMBTSC-LJQANCHMSA-N 2 0 373.501 1.352 20 30 FDEDRP C=CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001128106956 896958460 /nfs/dbraw/zinc/95/84/60/896958460.db2.gz JVROJJPBOSBQIF-BPQIPLTHSA-N 2 0 357.502 1.392 20 30 FDEDRP C#CC[NH+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000995267915 897652287 /nfs/dbraw/zinc/65/22/87/897652287.db2.gz QNEUIMJQDJZJNR-MISYRCLQSA-N 2 0 354.498 1.706 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H]3CCc4ccccc43)C[C@H]2O)CC1 ZINC001078227110 898427674 /nfs/dbraw/zinc/42/76/74/898427674.db2.gz JKSHHVFZALEULD-QHAWAJNXSA-N 2 0 367.493 1.180 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710468 903120231 /nfs/dbraw/zinc/12/02/31/903120231.db2.gz JLIXNHPGJHIVLI-CDHQVMDDSA-N 2 0 352.482 1.837 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710597 903122047 /nfs/dbraw/zinc/12/20/47/903122047.db2.gz PBPKJVFJXUXANO-CDHQVMDDSA-N 2 0 352.482 1.837 20 30 FDEDRP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC001107470141 905088697 /nfs/dbraw/zinc/08/86/97/905088697.db2.gz BQKPAFCINKNPEG-TZIWHRDSSA-N 2 0 366.465 1.959 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@H]2OC)CC1 ZINC001082384359 907387615 /nfs/dbraw/zinc/38/76/15/907387615.db2.gz REAKZEZORPTZGA-WOJBJXKFSA-N 2 0 359.514 1.647 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082559956 908614688 /nfs/dbraw/zinc/61/46/88/908614688.db2.gz UOQZLWORXMWANQ-UPRAQXHNSA-N 2 0 358.461 1.974 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC001082559873 908615411 /nfs/dbraw/zinc/61/54/11/908615411.db2.gz RJBKGAJPSNTDNM-ZNOIYHFQSA-N 2 0 358.461 1.974 20 30 FDEDRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C#N)c2)C1)[NH+](C)C ZINC001082747415 909691992 /nfs/dbraw/zinc/69/19/92/909691992.db2.gz RKTWDMBGALHPKI-OLMNPRSZSA-N 2 0 358.486 1.844 20 30 FDEDRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2C)cc1C#N ZINC001082741806 909941496 /nfs/dbraw/zinc/94/14/96/909941496.db2.gz DFKHXHWUCCUTAX-GPMSIDNRSA-N 2 0 370.497 1.845 20 30 FDEDRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)cc1C#N ZINC001082863263 910528105 /nfs/dbraw/zinc/52/81/05/910528105.db2.gz XGLPVAAKQFESMJ-CRAIPNDOSA-N 2 0 368.481 1.599 20 30 FDEDRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001082923411 910934859 /nfs/dbraw/zinc/93/48/59/910934859.db2.gz IWCZEUOCLIQXOL-FUHIMQAGSA-N 2 0 370.497 1.463 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C)ncn3)C2)CC1 ZINC001082941543 911017801 /nfs/dbraw/zinc/01/78/01/911017801.db2.gz WUTAIFGANDODCU-DNVCBOLYSA-N 2 0 355.486 1.067 20 30 FDEDRP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)CC1 ZINC001084629242 915749385 /nfs/dbraw/zinc/74/93/85/915749385.db2.gz MPUWXYUIUHHTAW-WOJBJXKFSA-N 2 0 352.482 1.933 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000771511023 930708837 /nfs/dbraw/zinc/70/88/37/930708837.db2.gz LKLVXMUFUZDTPL-UHFFFAOYSA-N 2 0 360.546 1.349 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]C[C@@H](C)OC)C2)CC1 ZINC001112584556 931783584 /nfs/dbraw/zinc/78/35/84/931783584.db2.gz XDWGOBZXJSLSNG-LMNJBCLMSA-N 2 0 361.530 1.585 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCCCCC)C[C@@H]1n1ccnn1 ZINC001130044072 938643411 /nfs/dbraw/zinc/64/34/11/938643411.db2.gz OMVXAEAIMVHSLT-MSOLQXFVSA-N 2 0 362.522 1.708 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130590183 939896269 /nfs/dbraw/zinc/89/62/69/939896269.db2.gz DBTKETGGWWOCTD-QXAKKESOSA-N 2 0 357.502 1.200 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130607990 939920140 /nfs/dbraw/zinc/92/01/40/939920140.db2.gz VQZGVSSNLVCRBJ-WSTZPKSXSA-N 2 0 371.529 1.590 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCC=C)C2)CC1 ZINC001130734266 940034550 /nfs/dbraw/zinc/03/45/50/940034550.db2.gz LMTANGZCTHNAHJ-AZUAARDMSA-N 2 0 369.513 1.225 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1c1cn(C)cn1 ZINC001130734647 940035084 /nfs/dbraw/zinc/03/50/84/940035084.db2.gz XVOHXOHMDVFTGQ-QXAKKESOSA-N 2 0 357.502 1.202 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1c1cncn1C ZINC001131023291 940456774 /nfs/dbraw/zinc/45/67/74/940456774.db2.gz WNZVIOOSROAMCB-GUDVDZBRSA-N 2 0 371.529 1.448 20 30 FDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cncn1C ZINC001131108017 940502488 /nfs/dbraw/zinc/50/24/88/940502488.db2.gz GEQPYQIGSAWASD-KZNAEPCWSA-N 2 0 371.529 1.755 20 30 FDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cncn1C ZINC001131130337 940510886 /nfs/dbraw/zinc/51/08/86/940510886.db2.gz HARSAGVACOFZQK-RCCFBDPRSA-N 2 0 361.534 1.999 20 30 FDEDRP C=CCC[C@@H](C)[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001131361798 940558671 /nfs/dbraw/zinc/55/86/71/940558671.db2.gz DRSZFRXQJWNWCN-KZNAEPCWSA-N 2 0 364.534 1.332 20 30 FDEDRP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001131495793 940647268 /nfs/dbraw/zinc/64/72/68/940647268.db2.gz FBEUERQJXRYJKM-ZCNNSNEGSA-N 2 0 359.514 1.337 20 30 FDEDRP CCOC(=O)C(C)N=Nc1cc(N[C@H]([NH3+])CCC[NH3+])ccc1[N+](=O)[O-] ZINC001170903427 943241818 /nfs/dbraw/zinc/24/18/18/943241818.db2.gz JRWRXTTXRXXUEB-VAODSVERSA-N 2 0 352.395 1.381 20 30 FDEDRP COC(=O)c1ccc(C(=[NH2+])Nc2ccc(C[C@H](C[NH3+])C(=O)OC)cc2)cc1 ZINC001170988626 945034424 /nfs/dbraw/zinc/03/44/24/945034424.db2.gz CSYRFEGDUHSADB-MRXNPFEDSA-N 2 0 369.421 1.801 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000845448447 949230984 /nfs/dbraw/zinc/23/09/84/949230984.db2.gz KDXUCTRTHSDZKM-INIZCTEOSA-N 2 0 368.522 1.598 20 30 FDEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3ccccc3C#N)C[C@@]2(C)C1 ZINC001091543147 951979329 /nfs/dbraw/zinc/97/93/29/951979329.db2.gz DEKBKMZCNWEVRH-SBHAEUEKSA-N 2 0 352.482 1.933 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnc(C)o3)C2)CC1 ZINC001086882155 952913895 /nfs/dbraw/zinc/91/38/95/952913895.db2.gz CMKJKFBESFSOBN-FUHWJXTLSA-N 2 0 358.486 1.703 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccn3CC)C2)CC1 ZINC001086882448 952914441 /nfs/dbraw/zinc/91/44/41/952914441.db2.gz QUOLNIBFNIXHGY-PKOBYXMFSA-N 2 0 371.529 1.623 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1c1cnn(C)c1 ZINC001086979351 952992661 /nfs/dbraw/zinc/99/26/61/952992661.db2.gz WITFHSFCNDLWLX-IPMKNSEASA-N 2 0 357.502 1.222 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCC)C2)CC1 ZINC001087010854 953102337 /nfs/dbraw/zinc/10/23/37/953102337.db2.gz UZXOHZBRDUCTTE-RBUKOAKNSA-N 2 0 357.502 1.059 20 30 FDEDRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001087101066 953271954 /nfs/dbraw/zinc/27/19/54/953271954.db2.gz RPRDFKFXORQOFN-VAMGGRTRSA-N 2 0 370.497 1.463 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001093470949 958231960 /nfs/dbraw/zinc/23/19/60/958231960.db2.gz AQJMMBSKUMHYQR-VELGLUOQSA-N 2 0 370.497 1.361 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CC)C3)[C@H]2C(C)C)CC1 ZINC001093480779 958305006 /nfs/dbraw/zinc/30/50/06/958305006.db2.gz OPDVTORUWICRPU-ANTGDGSKSA-N 2 0 361.530 1.318 20 30 FDEDRP C=CCN1C[C@H]2CC[C@@H](C1)[NH+]2C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001093487416 958309913 /nfs/dbraw/zinc/30/99/13/958309913.db2.gz FQIXZEQTJDBTBU-RSPOEFSDSA-N 2 0 360.546 1.652 20 30 FDEDRP N#CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001093487546 958310777 /nfs/dbraw/zinc/31/07/77/958310777.db2.gz HMPOVXCPIIQYJQ-XMTFNYHQSA-N 2 0 368.485 1.176 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N ZINC001093672827 958514684 /nfs/dbraw/zinc/51/46/84/958514684.db2.gz FTKXSGSECYGSJQ-BJZITVGISA-N 2 0 358.461 1.976 20 30 FDEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C3CCOCC3)CCC[C@@H]12 ZINC001094433093 960443198 /nfs/dbraw/zinc/44/31/98/960443198.db2.gz QDGNWPIXJPWUSI-QKNQBKEWSA-N 2 0 359.514 1.624 20 30 FDEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474004 960642461 /nfs/dbraw/zinc/64/24/61/960642461.db2.gz FYVKKURYHNQALN-HSGZRYJKSA-N 2 0 357.498 1.234 20 30 FDEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cnn(CC[NH+](C)C)c3)CCC[C@@H]12 ZINC001094532081 960741205 /nfs/dbraw/zinc/74/12/05/960741205.db2.gz AYLVEBOIOAEHJZ-UYAOXDASSA-N 2 0 357.502 1.442 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H](C#N)Cc1ccc(O)cc1 ZINC001183610639 963141718 /nfs/dbraw/zinc/14/17/18/963141718.db2.gz WKMQNJLCOPAOMY-GOSISDBHSA-N 2 0 360.502 1.806 20 30 FDEDRP N#Cc1ccccc1CN1CCCC[C@@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001183838888 963304599 /nfs/dbraw/zinc/30/45/99/963304599.db2.gz NKBNFQLRVMSVST-QGZVFWFLSA-N 2 0 356.474 1.374 20 30 FDEDRP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001189923148 967386189 /nfs/dbraw/zinc/38/61/89/967386189.db2.gz JRAWMUNGSLHZMA-ZWKOTPCHSA-N 2 0 362.518 1.062 20 30 FDEDRP O=C(C#CC1CC[NH2+]CC1)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000852797005 967614594 /nfs/dbraw/zinc/61/45/94/967614594.db2.gz WUDNKCSYQDUSDX-INIZCTEOSA-N 2 0 355.438 1.537 20 30 FDEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000852828386 967639260 /nfs/dbraw/zinc/63/92/60/967639260.db2.gz WXOOQLIVCHDMNB-IHPCNDPISA-N 2 0 364.449 1.363 20 30 FDEDRP COc1ccccc1[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000852854823 967659364 /nfs/dbraw/zinc/65/93/64/967659364.db2.gz RBWWDJUNODYDCY-LJQANCHMSA-N 2 0 355.482 1.951 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)C#CC3CC[NH2+]CC3)CC2)c1 ZINC000852897806 967694628 /nfs/dbraw/zinc/69/46/28/967694628.db2.gz SIRSQOKISDPAIM-UHFFFAOYSA-N 2 0 350.466 1.642 20 30 FDEDRP COc1cc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)ccc1C#N ZINC000863643353 973079957 /nfs/dbraw/zinc/07/99/57/973079957.db2.gz LLHMXCYMQVKMJH-AEFFLSMTSA-N 2 0 356.426 1.324 20 30 FDEDRP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000848394173 976715872 /nfs/dbraw/zinc/71/58/72/976715872.db2.gz HQTAWNFGLMPNFW-ZBFHGGJFSA-N 2 0 358.442 1.945 20 30 FDEDRP C=CCC[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000883227996 982023885 /nfs/dbraw/zinc/02/38/85/982023885.db2.gz CSLBWFCXAZVQKQ-MOPGFXCFSA-N 2 0 351.535 1.886 20 30 FDEDRP CC[N@@H+]1CC[C@@H]1CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000883711608 982407723 /nfs/dbraw/zinc/40/77/23/982407723.db2.gz SPRRMWGHNSXCOY-LJQANCHMSA-N 2 0 355.486 1.916 20 30 FDEDRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[C@H](C)C1 ZINC000884221218 982995339 /nfs/dbraw/zinc/99/53/39/982995339.db2.gz MNBFWYUTLXZFMJ-QUJXQBBWSA-N 2 0 362.518 1.379 20 30 FDEDRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@@H](C)C1 ZINC000884221216 982995463 /nfs/dbraw/zinc/99/54/63/982995463.db2.gz MNBFWYUTLXZFMJ-GEONRVCZSA-N 2 0 362.518 1.379 20 30 FDEDRP CCc1ccc([C@H]2C[NH2+]CCN2C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1 ZINC000884278744 983048964 /nfs/dbraw/zinc/04/89/64/983048964.db2.gz SNOINPCYVAWODQ-KYBDOYODSA-N 2 0 352.482 1.861 20 30 FDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC(CCC[NH+]3CCOCC3)CC1)C2 ZINC000884318804 983080188 /nfs/dbraw/zinc/08/01/88/983080188.db2.gz GEJBFKISBJGHBV-SCCNAQOGSA-N 2 0 374.529 1.477 20 30 FDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C1)C2 ZINC000884369430 983119753 /nfs/dbraw/zinc/11/97/53/983119753.db2.gz CSXFUTZSKGEKLI-AXALFOSHSA-N 2 0 364.493 1.859 20 30 FDEDRP C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870016991 985517395 /nfs/dbraw/zinc/51/73/95/985517395.db2.gz DYZKDTYAPSUBIB-PWIZWCRZSA-N 2 0 356.514 1.935 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C[C@H]1C[NH+](C)C ZINC000870019152 985522352 /nfs/dbraw/zinc/52/23/52/985522352.db2.gz ROOVZUDIOKWHQM-VAMGGRTRSA-N 2 0 367.497 1.438 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc3c2CC[N@@H+](CC)C3)CC1 ZINC000361286881 988327143 /nfs/dbraw/zinc/32/71/43/988327143.db2.gz GVCNKZCHVKKNLN-UHFFFAOYSA-N 2 0 370.497 1.770 20 30 FDEDRP C#CC[C@@H]([NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC000362252264 988613280 /nfs/dbraw/zinc/61/32/80/988613280.db2.gz BGSXHDXUASDWCT-WOJBJXKFSA-N 2 0 357.498 1.814 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000367524796 988955382 /nfs/dbraw/zinc/95/53/82/988955382.db2.gz OGMRUYIHKSTEIZ-QGZVFWFLSA-N 2 0 363.550 1.447 20 30 FDEDRP C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363202657 988989893 /nfs/dbraw/zinc/98/98/93/988989893.db2.gz VLOIZYTYSFVGGR-FQEVSTJZSA-N 2 0 373.497 1.873 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000365145481 990063991 /nfs/dbraw/zinc/06/39/91/990063991.db2.gz GDZNLJVXFDSWOV-UHFFFAOYSA-N 2 0 364.534 1.781 20 30 FDEDRP COC(=O)[C@]1(C)CCC[N@H+](CC#CC[NH+]2CCC[C@](C)(C(=O)OC)C2)C1 ZINC000412084927 992798439 /nfs/dbraw/zinc/79/84/39/992798439.db2.gz YZJZPZQNAFCFTA-BGYRXZFFSA-N 2 0 364.486 1.540 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000876719309 992830374 /nfs/dbraw/zinc/83/03/74/992830374.db2.gz IAXPINJADBJQTM-QUCCMNQESA-N 2 0 368.481 1.505 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000876925214 992970144 /nfs/dbraw/zinc/97/01/44/992970144.db2.gz XGJZEYIZZPORLI-SXLOBPIMSA-N 2 0 364.424 1.837 20 30 FDEDRP N#Cc1cc(C[NH+]2CCC[C@@H](CO)C2)cc(C[N@H+]2CCC[C@@H](CO)C2)c1 ZINC000877935491 993561504 /nfs/dbraw/zinc/56/15/04/993561504.db2.gz NWMYJOMABCJREC-QZTJIDSGSA-N 2 0 357.498 1.967 20 30 FDEDRP N#Cc1ccc(N2CCC([NH2+]C[C@@H]3CC4(CC[NH2+]CC4)C(=O)O3)CC2)cc1 ZINC000925848884 995796141 /nfs/dbraw/zinc/79/61/41/995796141.db2.gz FLAUJATVMCBIHX-IBGZPJMESA-N 2 0 368.481 1.802 20 30 FDEDRP NC(=O)C1CC[NH+](CCCCNC(=[NH2+])Nc2ccc3c(c2)CCC3)CC1 ZINC000264078001 997397380 /nfs/dbraw/zinc/39/73/80/997397380.db2.gz GIEWWAUHXPSUIB-UHFFFAOYSA-N 2 0 357.502 1.879 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264982591 997666975 /nfs/dbraw/zinc/66/69/75/997666975.db2.gz MDHUZUSEWKCOAY-HXUWFJFHSA-N 2 0 373.545 1.048 20 30 FDEDRP C[NH+]=C(NCC1CC[NH+](C)CC1)NCC1(N2CCOCC2)CCCCC1 ZINC000103909743 998252273 /nfs/dbraw/zinc/25/22/73/998252273.db2.gz AWUJNCAQGKARBJ-UHFFFAOYSA-N 2 0 365.566 1.528 20 30 FDEDRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=[NH2+])Nc3ccccn3)c2)C1 ZINC000267383772 999324476 /nfs/dbraw/zinc/32/44/76/999324476.db2.gz BFDAMPPBNAKALG-KRWDZBQOSA-N 2 0 366.469 1.706 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000270405522 999554445 /nfs/dbraw/zinc/55/44/45/999554445.db2.gz GNQZTYYPASNKFS-MSOLQXFVSA-N 2 0 357.502 1.424 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000284165239 999778672 /nfs/dbraw/zinc/77/86/72/999778672.db2.gz UMVUBZBMSPHEER-IBGZPJMESA-N 2 0 372.513 1.562 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000286354440 999943960 /nfs/dbraw/zinc/94/39/60/999943960.db2.gz BPQMZNXMCPFTAX-KRWDZBQOSA-N 2 0 372.513 1.390 20 30 FDEDRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(Nc3ccc(C#N)cn3)CC2)CC[N@@H+]1C ZINC001111323671 1009615163 /nfs/dbraw/zinc/61/51/63/1009615163.db2.gz PEXKDSQKNWZSHP-CRAIPNDOSA-N 2 0 370.501 1.286 20 30 FDEDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](O)COc3ccccc3C#N)C2)CC1 ZINC000528388991 539755066 /nfs/dbraw/zinc/75/50/66/539755066.db2.gz KJSAFZCUMUAXSL-VQTJNVASSA-N 2 0 372.513 1.398 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000553329863 543610741 /nfs/dbraw/zinc/61/07/41/543610741.db2.gz RVVMYVFHYFZLKF-APWZRJJASA-N 2 0 374.529 1.228 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000553372556 543621056 /nfs/dbraw/zinc/62/10/56/543621056.db2.gz WWKMXTFDQFXJDN-UHFFFAOYSA-N 2 0 350.507 1.087 20 30 FDEDRP C[NH+]1CCC(N2CCC([NH2+]Cc3cnc4c(C#N)cnn4c3)CC2)CC1 ZINC000559877719 544830221 /nfs/dbraw/zinc/83/02/21/544830221.db2.gz SNVZSXDVRMIDGV-UHFFFAOYSA-N 2 0 353.474 1.249 20 30 FDEDRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000333805153 259383906 /nfs/dbraw/zinc/38/39/06/259383906.db2.gz IKMDOWOTUPTIAN-LPHOPBHVSA-N 2 0 355.486 1.916 20 30 FDEDRP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)c1C#N ZINC000534791194 490409328 /nfs/dbraw/zinc/40/93/28/490409328.db2.gz LWLVNHKMACVLSQ-MRXNPFEDSA-N 2 0 362.478 1.165 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000069937302 521983112 /nfs/dbraw/zinc/98/31/12/521983112.db2.gz WVAANDLQPGOZHT-SFHVURJKSA-N 2 0 364.534 1.781 20 30 FDEDRP C[N@@H+]1CCCN(CCNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000083032611 524234868 /nfs/dbraw/zinc/23/48/68/524234868.db2.gz LGILGYUXBRUHTO-UHFFFAOYSA-N 2 0 373.423 1.627 20 30 FDEDRP C[NH+]=C(NCCN1C(=O)Cc2ccccc21)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000158555565 524489179 /nfs/dbraw/zinc/48/91/79/524489179.db2.gz YGETUAYZGHXTHA-WBVHZDCISA-N 2 0 357.502 1.469 20 30 FDEDRP Cc1ccc(C#N)cc1S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000114734904 524866367 /nfs/dbraw/zinc/86/63/67/524866367.db2.gz KHBASMTUFSYJPU-UHFFFAOYSA-N 2 0 366.531 1.761 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000124663323 525045526 /nfs/dbraw/zinc/04/55/26/525045526.db2.gz XAQOLZXFRUWWBU-SFHVURJKSA-N 2 0 371.485 1.371 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)c(OC)c1OC ZINC000104165320 525398771 /nfs/dbraw/zinc/39/87/71/525398771.db2.gz YCQWOPSMUODOTA-CQSZACIVSA-N 2 0 350.463 1.601 20 30 FDEDRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000119294329 525695602 /nfs/dbraw/zinc/69/56/02/525695602.db2.gz GRUPZQFLJWOWPR-IBGZPJMESA-N 2 0 360.502 1.062 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1ccccc1C#N ZINC000119489800 525763682 /nfs/dbraw/zinc/76/36/82/525763682.db2.gz XMELUNCGONCKBZ-UHFFFAOYSA-N 2 0 352.504 1.452 20 30 FDEDRP C[N@@H+]1CCCN(CCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CC1 ZINC000266996203 536945685 /nfs/dbraw/zinc/94/56/85/536945685.db2.gz XWEDAGLLXXDRKL-UHFFFAOYSA-N 2 0 357.424 1.747 20 30 FDEDRP C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1)[NH+]1CCCCCC1 ZINC000329166693 537634992 /nfs/dbraw/zinc/63/49/92/537634992.db2.gz ICCRPTZJKWHILM-NVXWUHKLSA-N 2 0 350.507 1.903 20 30 FDEDRP COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371260014 537791210 /nfs/dbraw/zinc/79/12/10/537791210.db2.gz XBSIFSIHUGVERX-LJQANCHMSA-N 2 0 372.513 1.905 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)C(C)C ZINC000424125904 538242918 /nfs/dbraw/zinc/24/29/18/538242918.db2.gz AWTJNKBLTJHGRF-FUHWJXTLSA-N 2 0 360.506 1.631 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCC2CC[NH+](CC)CC2)CC1 ZINC000561413895 545837925 /nfs/dbraw/zinc/83/79/25/545837925.db2.gz KUSKZGNXOGLDDH-UHFFFAOYSA-N 2 0 364.534 1.381 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CCC)CCC[NH+](C)C)CC1 ZINC000561414310 545838964 /nfs/dbraw/zinc/83/89/64/545838964.db2.gz VLACSDQCVLQBJJ-UHFFFAOYSA-N 2 0 352.523 1.333 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000575146238 550434389 /nfs/dbraw/zinc/43/43/89/550434389.db2.gz RDWMEUCXMWBWSU-QGZVFWFLSA-N 2 0 364.534 1.380 20 30 FDEDRP CN(C)c1cc(C#N)cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000590242025 551766790 /nfs/dbraw/zinc/76/67/90/551766790.db2.gz KKRHEIXOAPYDGP-IBGZPJMESA-N 2 0 369.513 1.865 20 30 FDEDRP CN(C(=O)c1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000592167999 551952514 /nfs/dbraw/zinc/95/25/14/551952514.db2.gz SAGKFZYHGCTTGJ-QZTJIDSGSA-N 2 0 371.485 1.812 20 30 FDEDRP C[NH+](C)CCOCCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593395910 552102096 /nfs/dbraw/zinc/10/20/96/552102096.db2.gz CVAIYMPHFQIJMC-UHFFFAOYSA-N 2 0 373.501 1.400 20 30 FDEDRP N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000594441904 552310906 /nfs/dbraw/zinc/31/09/06/552310906.db2.gz YBDUBINTVJPOKM-SFHVURJKSA-N 2 0 371.485 1.734 20 30 FDEDRP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000245513428 672448362 /nfs/dbraw/zinc/44/83/62/672448362.db2.gz AJGSTNWDRHRHNU-RTBURBONSA-N 2 0 350.551 1.901 20 30 FDEDRP C[C@H](NC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2)c1ccc(Cl)cc1Cl ZINC000262776371 672847267 /nfs/dbraw/zinc/84/72/67/672847267.db2.gz JYZZRXBTUJFLRU-WCQYABFASA-N 2 0 356.301 1.959 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)c1cc(OC)ccc1OC ZINC000264083949 672900736 /nfs/dbraw/zinc/90/07/36/672900736.db2.gz IHQKOPGYIGUTEH-XJKSGUPXSA-N 2 0 350.463 1.126 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(N2CCOCC2)CCCCC1 ZINC000303783084 676542976 /nfs/dbraw/zinc/54/29/76/676542976.db2.gz NWEKLCLDWZQHAW-QGZVFWFLSA-N 2 0 351.539 1.410 20 30 FDEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000329215116 676625786 /nfs/dbraw/zinc/62/57/86/676625786.db2.gz MEHQTTKKSNOILP-NPYXIHBLSA-N 2 0 350.507 1.901 20 30 FDEDRP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CC[NH+](C2CCC2)CC1 ZINC000330216684 676679192 /nfs/dbraw/zinc/67/91/92/676679192.db2.gz HYLZLECRZYXHAQ-QZTJIDSGSA-N 2 0 350.507 1.448 20 30 FDEDRP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369388120 677505380 /nfs/dbraw/zinc/50/53/80/677505380.db2.gz FCKSCZGFLZYORO-RTBURBONSA-N 2 0 350.551 1.900 20 30 FDEDRP CC1CC[NH+](CCCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000521227467 690397086 /nfs/dbraw/zinc/39/70/86/690397086.db2.gz LYUJWMLEHVRNHW-UHFFFAOYSA-N 2 0 364.515 1.829 20 30 FDEDRP CCN1CC[NH+](CCCCNC(=[NH2+])Nc2cc(OC)ccc2OC)CC1 ZINC000104170020 781543080 /nfs/dbraw/zinc/54/30/80/781543080.db2.gz LXCHGYHFJHKYQH-UHFFFAOYSA-N 2 0 363.506 1.848 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N2CCC[NH+](Cc3ccc(OCC#N)cc3)CC2)CC[N@@H+]1C ZINC000981194166 807697724 /nfs/dbraw/zinc/69/77/24/807697724.db2.gz MEZSUROZCLJQMP-YLJYHZDGSA-N 2 0 370.497 1.963 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2C[NH2+]CC)CC1 ZINC000414809131 815422744 /nfs/dbraw/zinc/42/27/44/815422744.db2.gz GDRNSCNITQMROT-UHFFFAOYSA-N 2 0 358.486 1.891 20 30 FDEDRP CC[NH+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000262509864 811480408 /nfs/dbraw/zinc/48/04/08/811480408.db2.gz AYAPOFGUCYYQCS-MRXNPFEDSA-N 2 0 373.501 1.487 20 30 FDEDRP CC[NH+]1CCC(N2CCCN(C(=O)COc3ccccc3C#N)CC2)CC1 ZINC000515346148 816213922 /nfs/dbraw/zinc/21/39/22/816213922.db2.gz NQVATQBTKJXMOI-UHFFFAOYSA-N 2 0 370.497 1.956 20 30 FDEDRP C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)nc2)C1 ZINC000328933809 819583181 /nfs/dbraw/zinc/58/31/81/819583181.db2.gz IRVMHKMDUJNCKK-DLBZAZTESA-N 2 0 358.490 1.200 20 30 FDEDRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000266898682 820442123 /nfs/dbraw/zinc/44/21/23/820442123.db2.gz FVAHUYRTZJZNLT-IBGZPJMESA-N 2 0 355.486 1.233 20 30 FDEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000522305336 822379162 /nfs/dbraw/zinc/37/91/62/822379162.db2.gz GDEIYMBHIKKOJQ-GOSISDBHSA-N 2 0 355.486 1.868 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCOCC3)[C@@H]2CC)CC1 ZINC001087840047 822558751 /nfs/dbraw/zinc/55/87/51/822558751.db2.gz DYQONQBJUNRNSF-VQTJNVASSA-N 2 0 361.530 1.727 20 30 FDEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992135 824952541 /nfs/dbraw/zinc/95/25/41/824952541.db2.gz FOLAPTNCRIKPFD-HBFSDRIKSA-N 2 0 359.514 1.433 20 30 FDEDRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000330220601 825739449 /nfs/dbraw/zinc/73/94/49/825739449.db2.gz KYGTXFCMXNNNDH-OTWHNJEPSA-N 2 0 364.534 1.838 20 30 FDEDRP C[NH+]=C(NCC(=O)N1CCc2ccccc21)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262462571 827022679 /nfs/dbraw/zinc/02/26/79/827022679.db2.gz MVSDLOREFUCZMF-GOSISDBHSA-N 2 0 369.513 1.711 20 30 FDEDRP N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)c1 ZINC001088201236 827443372 /nfs/dbraw/zinc/44/33/72/827443372.db2.gz RNPBJTUHVUYKQV-UXHICEINSA-N 2 0 352.482 1.934 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4ccnn4C)CC[C@@H]3C2)CC1 ZINC001088211972 827492729 /nfs/dbraw/zinc/49/27/29/827492729.db2.gz INODFGAULOBEQN-MOPGFXCFSA-N 2 0 369.513 1.046 20 30 FDEDRP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000527050145 828943231 /nfs/dbraw/zinc/94/32/31/828943231.db2.gz DWJYPSKVIOWBJP-QGZVFWFLSA-N 2 0 361.534 1.287 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC=C)C2)CC1 ZINC001112209752 832002525 /nfs/dbraw/zinc/00/25/25/832002525.db2.gz GUAHDKOBLIORFT-HZPDHXFCSA-N 2 0 357.420 1.887 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105669448 844220530 /nfs/dbraw/zinc/22/05/30/844220530.db2.gz RRFFUKMJBLEQHQ-RMVXJAJNSA-N 2 0 363.546 1.708 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000264133416 838333638 /nfs/dbraw/zinc/33/36/38/838333638.db2.gz YUCIXJSTFBSLNN-WOJBJXKFSA-N 3 0 357.546 1.940 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@@H+](C)CCC)[C@H]2C(C)C)C[C@H]1O ZINC001105670136 844360029 /nfs/dbraw/zinc/36/00/29/844360029.db2.gz YAZGDFNWOVEQSN-JYBIWHBTSA-N 2 0 351.535 1.870 20 30 FDEDRP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21)[NH+](C)C ZINC001075940413 840054494 /nfs/dbraw/zinc/05/44/94/840054494.db2.gz OABKHNVVSHWXMU-DFQSSKMNSA-N 2 0 370.497 1.962 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C(C)C)C[C@H]1O ZINC001105637327 842271093 /nfs/dbraw/zinc/27/10/93/842271093.db2.gz NFCXOZYDIDFKNA-RMVXJAJNSA-N 2 0 361.530 1.460 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)[N@@H+](C)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105642101 842303414 /nfs/dbraw/zinc/30/34/14/842303414.db2.gz HQNHDZKINYJOFP-NEYJZJCJSA-N 2 0 363.546 1.706 20 30 FDEDRP C=CCN1CC[C@H](N2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@H]2C)C1=O ZINC001088748846 842865197 /nfs/dbraw/zinc/86/51/97/842865197.db2.gz ZAGWECVJPVGOGF-JLSDUUJJSA-N 2 0 367.453 1.314 20 30 FDEDRP N#C[C@@H]1CCC[C@@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000461968744 843265917 /nfs/dbraw/zinc/26/59/17/843265917.db2.gz VVOOOSNABBHETG-WMZOPIPTSA-N 2 0 356.474 1.585 20 30 FDEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)[C@H]1C ZINC001088764337 843482409 /nfs/dbraw/zinc/48/24/09/843482409.db2.gz WLNPDSJZXIJPME-BDXSIMOUSA-N 2 0 351.491 1.021 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C(C)C)C[C@H]1O ZINC001105668098 843755087 /nfs/dbraw/zinc/75/50/87/843755087.db2.gz HLIKSZJSAJMYJZ-UKAVVXHISA-N 2 0 363.546 1.708 20 30 FDEDRP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CC1 ZINC001076206156 847558900 /nfs/dbraw/zinc/55/89/00/847558900.db2.gz BIMMYAZLBNTZPR-VQTJNVASSA-N 2 0 352.482 1.933 20 30 FDEDRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(OCC#N)cc4)C[C@H]32)C1 ZINC001076569500 848467538 /nfs/dbraw/zinc/46/75/38/848467538.db2.gz YWQXDXANVSFWDH-NLWGTHIKSA-N 2 0 368.481 1.573 20 30 FDEDRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083593056 852221846 /nfs/dbraw/zinc/22/18/46/852221846.db2.gz CAKYHVPNDVVBRC-AABGKKOBSA-N 2 0 370.497 1.340 20 30 FDEDRP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001088983328 865911375 /nfs/dbraw/zinc/91/13/75/865911375.db2.gz RETNQKQYVAXELV-APWZRJJASA-N 2 0 368.481 1.764 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3oc(C)nc3C)[C@@H]2C)CC1 ZINC001089059578 866385627 /nfs/dbraw/zinc/38/56/27/866385627.db2.gz RJGNESJOBYTHMI-QAPCUYQASA-N 2 0 358.486 1.716 20 30 FDEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001106316095 874757739 /nfs/dbraw/zinc/75/77/39/874757739.db2.gz CNGJZWBEFRAELJ-QZTJIDSGSA-N 2 0 367.534 1.232 20 30 FDEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000922627224 878845637 /nfs/dbraw/zinc/84/56/37/878845637.db2.gz KJJUSGKIDXLCFT-QGZVFWFLSA-N 2 0 350.507 1.226 20 30 FDEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129030344 885349705 /nfs/dbraw/zinc/34/97/05/885349705.db2.gz WHNGDUTYWFCBKU-ZACQAIPSSA-N 2 0 366.485 1.266 20 30 FDEDRP [NH2+]=C(NCCc1ccccc1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000180454141 889448741 /nfs/dbraw/zinc/44/87/41/889448741.db2.gz YPPFEHPEJZIFIQ-FQEVSTJZSA-N 2 0 352.482 1.900 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@H]2O)CC1 ZINC001078227142 898429221 /nfs/dbraw/zinc/42/92/21/898429221.db2.gz KZOTUWGADNUWCI-RTBURBONSA-N 2 0 359.514 1.073 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3CC)C[C@H]2O)CC1 ZINC001078228225 898433775 /nfs/dbraw/zinc/43/37/75/898433775.db2.gz ICLLOSSNROGQGW-NHCUHLMSSA-N 2 0 369.509 1.256 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3c(C)cccc3C)C[C@H]2O)CC1 ZINC001078228297 898433972 /nfs/dbraw/zinc/43/39/72/898433972.db2.gz LEUROFNXCMCYKL-NHCUHLMSSA-N 2 0 369.509 1.310 20 30 FDEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079258164 902291189 /nfs/dbraw/zinc/29/11/89/902291189.db2.gz QIRRUZPGHFPNKL-CADBVGFASA-N 2 0 359.514 1.289 20 30 FDEDRP COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1C#N ZINC001079726493 903145945 /nfs/dbraw/zinc/14/59/45/903145945.db2.gz YREHPPLJQRHGEW-OHDICMOHSA-N 2 0 370.497 1.844 20 30 FDEDRP C=C(C[NH+](C)C)C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000764463600 904735570 /nfs/dbraw/zinc/73/55/70/904735570.db2.gz WAUCGSOINQFAMQ-IBGZPJMESA-N 2 0 371.529 1.560 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001082515179 908182424 /nfs/dbraw/zinc/18/24/24/908182424.db2.gz CWMMGHJATHVHTK-FSPWUOQZSA-N 2 0 358.511 1.898 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001082559860 908613048 /nfs/dbraw/zinc/61/30/48/908613048.db2.gz RBQBBOQQPRWRBJ-UPRAQXHNSA-N 2 0 358.461 1.974 20 30 FDEDRP CC[NH+]=C(NC[C@@H]1CCC[N@@H+](C(C)C)C1)N1CCN(c2ncccn2)CC1 ZINC000073446228 909728719 /nfs/dbraw/zinc/72/87/19/909728719.db2.gz GVKGYWKRMGQPPM-SFHVURJKSA-N 2 0 373.549 1.685 20 30 FDEDRP N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)c1 ZINC001084777779 917052668 /nfs/dbraw/zinc/05/26/68/917052668.db2.gz PKRHMIOXZJJULX-RTBURBONSA-N 2 0 350.466 1.687 20 30 FDEDRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(OCC#N)cc4)C[C@H]32)C1 ZINC001084830484 917509711 /nfs/dbraw/zinc/50/97/11/917509711.db2.gz XBDRZJHWUAIBPQ-QWFCFKBJSA-N 2 0 368.481 1.573 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cc(C)no4)[C@H]3C2)CC1 ZINC001085100504 920913965 /nfs/dbraw/zinc/91/39/65/920913965.db2.gz HUNKINMFTIVHCX-XLIONFOSSA-N 2 0 370.497 1.751 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCCOC2)CC1 ZINC001085432970 924681386 /nfs/dbraw/zinc/68/13/86/924681386.db2.gz ZNRVAARRSUYYKT-DFQSSKMNSA-N 2 0 361.530 1.775 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@H](C)COC)C2)CC1 ZINC001112585083 931787672 /nfs/dbraw/zinc/78/76/72/931787672.db2.gz YQWZDWPMHASDSH-LMNJBCLMSA-N 2 0 361.530 1.585 20 30 FDEDRP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001086600380 934082325 /nfs/dbraw/zinc/08/23/25/934082325.db2.gz PUFJILDCLVLHCB-LZWWZHRGSA-N 2 0 367.493 1.620 20 30 FDEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129407680 938405433 /nfs/dbraw/zinc/40/54/33/938405433.db2.gz SRWLTJKBOVILTP-MSOLQXFVSA-N 2 0 364.538 1.932 20 30 FDEDRP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@@H](n2ccnn2)C1 ZINC001129459932 938435845 /nfs/dbraw/zinc/43/58/45/938435845.db2.gz CIBVLKYWYGAZTN-SQNIBIBYSA-N 2 0 360.506 1.460 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@@H]1n1ccnn1 ZINC001129892374 938543313 /nfs/dbraw/zinc/54/33/13/938543313.db2.gz ULVXGUFYQDAZLW-QYZOEREBSA-N 2 0 370.501 1.050 20 30 FDEDRP C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001130299015 938799335 /nfs/dbraw/zinc/79/93/35/938799335.db2.gz STKNREVJDUFPTD-XLIONFOSSA-N 2 0 364.534 1.380 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1cn(C)cn1 ZINC001130596827 939903914 /nfs/dbraw/zinc/90/39/14/939903914.db2.gz RVTAMEGUXHVRMJ-CMKODMSKSA-N 2 0 371.529 1.612 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1c1cn(C)cn1 ZINC001130672284 939971189 /nfs/dbraw/zinc/97/11/89/939971189.db2.gz KTHREOHLWMQKGO-FUHWJXTLSA-N 2 0 359.518 1.305 20 30 FDEDRP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(C)[N@@H+](C)CC)n2)O1 ZINC001130790346 940164817 /nfs/dbraw/zinc/16/48/17/940164817.db2.gz VLUKVPFAXMXPHS-UONOGXRCSA-N 2 0 364.494 1.147 20 30 FDEDRP C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[N@@H+](C)CC)n2)O1 ZINC001130813786 940213085 /nfs/dbraw/zinc/21/30/85/940213085.db2.gz XMLBDVVVXFLCAW-LSDHHAIUSA-N 2 0 364.494 1.149 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1c1cncn1C ZINC001131038207 940466139 /nfs/dbraw/zinc/46/61/39/940466139.db2.gz FIAFFERXGGOGTJ-QZTJIDSGSA-N 2 0 371.529 1.592 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1c1cncn1C ZINC001131074173 940490427 /nfs/dbraw/zinc/49/04/27/940490427.db2.gz XHRIVXVZAMOVOL-IAGOWNOFSA-N 2 0 359.518 1.305 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001131108271 940502621 /nfs/dbraw/zinc/50/26/21/940502621.db2.gz OKRFXRNOHUNVAF-KZNAEPCWSA-N 2 0 359.518 1.612 20 30 FDEDRP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001131552422 940728681 /nfs/dbraw/zinc/72/86/81/940728681.db2.gz OSJPFTVUYGCPFQ-FFGOWVMKSA-N 2 0 361.530 1.726 20 30 FDEDRP C=CC[NH+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)c2)C1 ZINC001091401249 951576405 /nfs/dbraw/zinc/57/64/05/951576405.db2.gz WXAWCWAJWPJJHH-ATZDWAIDSA-N 2 0 358.486 1.677 20 30 FDEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@]2(C)C1 ZINC001091530716 951938987 /nfs/dbraw/zinc/93/89/87/951938987.db2.gz FUUCANDZXFOFHN-SBHAEUEKSA-N 2 0 352.482 1.933 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001086982231 952994963 /nfs/dbraw/zinc/99/49/63/952994963.db2.gz ABQDUMPKSCGDID-GBESFXJTSA-N 2 0 359.518 1.753 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1c1cnn(C)c1 ZINC001087010474 953101441 /nfs/dbraw/zinc/10/14/41/953101441.db2.gz CDEKQOOAGIYVCW-RBUKOAKNSA-N 2 0 359.518 1.756 20 30 FDEDRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001087035125 953144050 /nfs/dbraw/zinc/14/40/50/953144050.db2.gz MSHGZUUMTUMDHD-HSALFYBXSA-N 2 0 370.497 1.606 20 30 FDEDRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cc(C#N)ccc4F)C[C@@]3(C)C2)C1 ZINC001092273755 954657586 /nfs/dbraw/zinc/65/75/86/954657586.db2.gz QPCYUDBTJRSESC-CDXJDZJCSA-N 2 0 370.472 1.929 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4cnc(C)o4)C[C@@]3(C)C2)CC1 ZINC001092300476 954748836 /nfs/dbraw/zinc/74/88/36/954748836.db2.gz XCOZFWQDTMZGSV-NQIIRXRSSA-N 2 0 370.497 1.609 20 30 FDEDRP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)cc1C#N ZINC001094221162 960046443 /nfs/dbraw/zinc/04/64/43/960046443.db2.gz UNJMYSULDGPHKV-VQIMIIECSA-N 2 0 370.497 1.847 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCCCO3)[C@H](C)C2)CC1 ZINC001094240098 960159678 /nfs/dbraw/zinc/15/96/78/960159678.db2.gz OHTYOOQUSXGKRS-MISYRCLQSA-N 2 0 361.530 1.585 20 30 FDEDRP C=CCOC1CCC([NH2+]CCCOCCOCCOCCC[NH3+])CC1 ZINC001173315344 962016285 /nfs/dbraw/zinc/01/62/85/962016285.db2.gz KOAQPEWQPMCMKU-UHFFFAOYSA-N 2 0 358.523 1.879 20 30 FDEDRP C#Cc1cccc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001182676183 962384345 /nfs/dbraw/zinc/38/43/45/962384345.db2.gz DKKMBGYZZXGVBT-ATZDWAIDSA-N 2 0 368.481 1.137 20 30 FDEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173766131 962658605 /nfs/dbraw/zinc/65/86/05/962658605.db2.gz FUGLROIRRUXQMS-RTBURBONSA-N 2 0 359.522 1.448 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCOCC4CC4)C[C@H]32)CC1 ZINC001190317552 967729719 /nfs/dbraw/zinc/72/97/19/967729719.db2.gz HDSXDLNRVQAYLV-VQTJNVASSA-N 2 0 359.514 1.291 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000855528101 970467868 /nfs/dbraw/zinc/46/78/68/970467868.db2.gz XUSQLSYMDAIXGV-UHFFFAOYSA-N 2 0 354.498 1.755 20 30 FDEDRP C[NH+]1CCN(c2cc(Nc3cc(=O)[nH]c4c(C#N)cnn43)cc[nH+]2)CC1 ZINC001201651133 975112424 /nfs/dbraw/zinc/11/24/24/975112424.db2.gz NANPLQYAPJBIOT-UHFFFAOYSA-N 2 0 350.386 1.197 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000849081903 977307391 /nfs/dbraw/zinc/30/73/91/977307391.db2.gz PQNYPYYEWFGVPR-ZNMIVQPWSA-N 2 0 364.494 1.344 20 30 FDEDRP COc1cccc([C@@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[NH+](C)C)c1 ZINC000884178302 982950843 /nfs/dbraw/zinc/95/08/43/982950843.db2.gz IFAHDRBNCZLNFZ-URTYCYGZSA-N 2 0 356.470 1.553 20 30 FDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC000884193759 982969734 /nfs/dbraw/zinc/96/97/34/982969734.db2.gz OOHCALRKBMEOIS-LSNYBQGISA-N 2 0 352.482 1.907 20 30 FDEDRP Cc1ccc([C@@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[NH+]2CCCC2)o1 ZINC000884210069 982986687 /nfs/dbraw/zinc/98/66/87/982986687.db2.gz PTWARKXZSMUDLS-ZEVUXNIQSA-N 2 0 356.470 1.981 20 30 FDEDRP COC1CC[NH+](C2(CNC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CCCC2)CC1 ZINC000884217531 982992230 /nfs/dbraw/zinc/99/22/30/982992230.db2.gz OXJYQAJMKAEUAX-OHTSDLOESA-N 2 0 374.529 1.666 20 30 FDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC1(C[NH+]3CCOCC3)CCCCC1)C2 ZINC000884229748 983004126 /nfs/dbraw/zinc/00/41/26/983004126.db2.gz ZHNPAFURVBEDQO-IDYZSHNDSA-N 2 0 374.529 1.525 20 30 FDEDRP CN1CCC(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)([NH+]2CCCCC2)CC1 ZINC000884235661 983013057 /nfs/dbraw/zinc/01/30/57/983013057.db2.gz AZHKQWVKZYZLDI-FDYSRKEFSA-N 2 0 373.545 1.192 20 30 FDEDRP C=CCOc1ccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1OC ZINC000872255120 987546671 /nfs/dbraw/zinc/54/66/71/987546671.db2.gz PVAFQAVQNSURGG-MDZRGWNJSA-N 2 0 373.453 1.627 20 30 FDEDRP Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364755399 989770077 /nfs/dbraw/zinc/77/00/77/989770077.db2.gz MJAFCJAJFSLIRY-MRXNPFEDSA-N 2 0 369.469 1.090 20 30 FDEDRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000372371136 991051762 /nfs/dbraw/zinc/05/17/62/991051762.db2.gz UQBUHVFCFDUIDM-LJQANCHMSA-N 2 0 369.513 1.846 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000876724348 992836761 /nfs/dbraw/zinc/83/67/61/992836761.db2.gz UTAZLHYRLWJELN-HXUWFJFHSA-N 2 0 368.481 1.316 20 30 FDEDRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876775174 992900183 /nfs/dbraw/zinc/90/01/83/992900183.db2.gz QBGCANQLWPOFOQ-PXNSSMCTSA-N 2 0 352.482 1.935 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000876920918 992967920 /nfs/dbraw/zinc/96/79/20/992967920.db2.gz FTPYTONUNFYKQG-ZCNNSNEGSA-N 2 0 364.424 1.837 20 30 FDEDRP C[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@H+]3CC[C@H](C)[C@H]3CO)c2)[C@@H]1CO ZINC000878485552 993979886 /nfs/dbraw/zinc/97/98/86/993979886.db2.gz OHFUZBGNCWDVNF-VAKZPMALSA-N 2 0 357.498 1.964 20 30 FDEDRP C[C@@H]1C[C@H](O)C[NH+](Cc2cc(C#N)cc(C[N@H+]3C[C@H](O)C[C@H](C)C3)c2)C1 ZINC000878691668 994123695 /nfs/dbraw/zinc/12/36/95/994123695.db2.gz QSDIDDLANOZABH-IFCLKOLQSA-N 2 0 357.498 1.964 20 30 FDEDRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000887130954 996957766 /nfs/dbraw/zinc/95/77/66/996957766.db2.gz OIBFRRWLJFHLFT-APWZRJJASA-N 2 0 352.438 1.904 20 30 FDEDRP [NH2+]=C(NCCCN1CCOCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000264060883 997392315 /nfs/dbraw/zinc/39/23/15/997392315.db2.gz CUGOBKGUUWLILQ-UHFFFAOYSA-N 2 0 359.518 1.409 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652146931 1016769196 /nfs/dbraw/zinc/76/91/96/1016769196.db2.gz BYHRNEQSBCPPEN-XYJFISCASA-N 2 0 350.507 1.565 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2C(=O)NC2CC[NH+](CC=C)CC2)CC1 ZINC000932144076 1004792715 /nfs/dbraw/zinc/79/27/15/1004792715.db2.gz MLDNOALTYQQCGP-KDURUIRLSA-N 2 0 374.529 1.156 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)C(C)C ZINC000419566771 1012572662 /nfs/dbraw/zinc/57/26/62/1012572662.db2.gz GURBWOMCPHSINF-YLJYHZDGSA-N 2 0 362.518 1.156 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC000074132443 522688674 /nfs/dbraw/zinc/68/86/74/522688674.db2.gz NMRQYQDTXQFIJR-QGZVFWFLSA-N 2 0 351.539 1.210 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccn(CCC#N)n1 ZINC000173373704 524376496 /nfs/dbraw/zinc/37/64/96/524376496.db2.gz DSDXBJNSNPNAEL-MRXNPFEDSA-N 2 0 361.494 1.677 20 30 FDEDRP C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N(C)Cc1c(F)cccc1Cl ZINC000088754759 524466533 /nfs/dbraw/zinc/46/65/33/524466533.db2.gz DWVPZKMOBRLCBO-ZDUSSCGKSA-N 2 0 355.889 1.732 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(OC)c(OC)cc1OC ZINC000104156565 525397002 /nfs/dbraw/zinc/39/70/02/525397002.db2.gz GSERMEFRFWXNPX-CQSZACIVSA-N 2 0 350.463 1.601 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000154782638 525637508 /nfs/dbraw/zinc/63/75/08/525637508.db2.gz BTGZNXUUGSBOTG-UHFFFAOYSA-N 2 0 352.523 1.515 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNc1cccc(C#N)c1 ZINC000156461348 526142465 /nfs/dbraw/zinc/14/24/65/526142465.db2.gz ULAHPTMTJIVREZ-IBGZPJMESA-N 2 0 357.502 1.845 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000190988525 537193798 /nfs/dbraw/zinc/19/37/98/537193798.db2.gz ABOXIQFVGQKLHT-NRFANRHFSA-N 2 0 369.509 1.739 20 30 FDEDRP Cc1oc(C#N)cc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000280776493 537459911 /nfs/dbraw/zinc/45/99/11/537459911.db2.gz OYSHVJDIGHMWOR-UHFFFAOYSA-N 2 0 353.426 1.797 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000304776149 537599088 /nfs/dbraw/zinc/59/90/88/537599088.db2.gz CYJAUJCUWMZKQX-GOSISDBHSA-N 3 0 364.582 1.325 20 30 FDEDRP CC(C)C[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000330222247 537652294 /nfs/dbraw/zinc/65/22/94/537652294.db2.gz MFFWTEHJAYSMEJ-QZTJIDSGSA-N 2 0 352.523 1.552 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000369375059 538016781 /nfs/dbraw/zinc/01/67/81/538016781.db2.gz VMKJKUGWCALPDJ-SFHVURJKSA-N 2 0 363.550 1.495 20 30 FDEDRP C[C@@H]1CN(Cc2ccccc2CNC(=O)[C@@H]([NH3+])CCCC#N)C[C@@H](C)O1 ZINC000424127383 538243080 /nfs/dbraw/zinc/24/30/80/538243080.db2.gz CTSYARPLVZOQOT-MDZRGWNJSA-N 2 0 358.486 1.933 20 30 FDEDRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)C[C@H](C)O1 ZINC000424154060 538247186 /nfs/dbraw/zinc/24/71/86/538247186.db2.gz MBKAPAUSMSWZEA-SOLBZPMBSA-N 2 0 350.507 1.745 20 30 FDEDRP C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000567896538 548315106 /nfs/dbraw/zinc/31/51/06/548315106.db2.gz ZUROVLLOYRWRRF-SFHVURJKSA-N 2 0 353.474 1.203 20 30 FDEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000590764226 551814491 /nfs/dbraw/zinc/81/44/91/551814491.db2.gz MSAVNIMAERXGEV-LJQANCHMSA-N 2 0 374.529 1.498 20 30 FDEDRP N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000591360428 551866145 /nfs/dbraw/zinc/86/61/45/551866145.db2.gz UKFXZVZXOROIPV-IBGZPJMESA-N 2 0 355.486 1.918 20 30 FDEDRP N#CC[C@@]1(O)CC[NH+](Cc2ccccc2C[N@H+]2CC[C@](O)(CC#N)C2)C1 ZINC000592150231 551949971 /nfs/dbraw/zinc/94/99/71/551949971.db2.gz BHECAFRRIPLGBL-WOJBJXKFSA-N 2 0 354.454 1.388 20 30 FDEDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593545076 552128926 /nfs/dbraw/zinc/12/89/26/552128926.db2.gz ZBNLDYMVJRTUAE-UHFFFAOYSA-N 2 0 366.531 1.602 20 30 FDEDRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593714065 552180741 /nfs/dbraw/zinc/18/07/41/552180741.db2.gz JVVVKUHFUPLPBZ-DNVCBOLYSA-N 2 0 355.486 1.820 20 30 FDEDRP C[N@H+](CCN1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1)Cc1ccccc1 ZINC000594438596 552310574 /nfs/dbraw/zinc/31/05/74/552310574.db2.gz OSCOFXKAYMZSNR-HXUWFJFHSA-N 2 0 371.529 1.674 20 30 FDEDRP N#CCCCC[C@H]([NH3+])C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000594450034 552312561 /nfs/dbraw/zinc/31/25/61/552312561.db2.gz RHJHZIUFAPLOIP-SFHVURJKSA-N 3 0 357.502 1.507 20 30 FDEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594525902 552327736 /nfs/dbraw/zinc/32/77/36/552327736.db2.gz XZDUCUFNEXMXAE-AWEZNQCLSA-N 2 0 357.380 1.521 20 30 FDEDRP CN(CCC[NH+](C)C)CCNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000595125810 552459162 /nfs/dbraw/zinc/45/91/62/552459162.db2.gz PYPBRGMBJKPQBT-UHFFFAOYSA-N 2 0 365.865 1.150 20 30 FDEDRP N#Cc1ccc(CC[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000595892609 552629657 /nfs/dbraw/zinc/62/96/57/552629657.db2.gz NRCWGKFBOVLVMC-RBUKOAKNSA-N 2 0 353.470 1.321 20 30 FDEDRP CN(CC1C[NH+](C)C1)c1cc(C#N)c([N+](=O)[O-])c(N(C)CC2C[NH+](C)C2)c1 ZINC000596454320 552680875 /nfs/dbraw/zinc/68/08/75/552680875.db2.gz RCUFIEBKFQHVIZ-UHFFFAOYSA-N 2 0 372.473 1.462 20 30 FDEDRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCCc1ccc(C#N)cc1 ZINC000596673225 552699661 /nfs/dbraw/zinc/69/96/61/552699661.db2.gz OKXPEPUMBHNYOU-UHFFFAOYSA-N 2 0 357.502 1.768 20 30 FDEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000598728933 552928639 /nfs/dbraw/zinc/92/86/39/552928639.db2.gz XMEHEGVUVVCXFU-LJQANCHMSA-N 2 0 372.513 1.774 20 30 FDEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)cc2)CC1 ZINC000600720545 553307231 /nfs/dbraw/zinc/30/72/31/553307231.db2.gz ZKHGBPJGTOZWLA-HXUWFJFHSA-N 2 0 356.514 1.968 20 30 FDEDRP N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC1 ZINC000600734745 553309000 /nfs/dbraw/zinc/30/90/00/553309000.db2.gz FWNVDKJFYPAMOW-LJQANCHMSA-N 2 0 370.497 1.528 20 30 FDEDRP C[NH+]=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000261764734 672667545 /nfs/dbraw/zinc/66/75/45/672667545.db2.gz OPOVHISELBYXDB-QLFBSQMISA-N 2 0 361.456 1.520 20 30 FDEDRP C[NH+]=C(NC[C@@H](C)N1CC[NH+](C)CC1)N1CCN(c2cccs2)CC1 ZINC000261943772 672698751 /nfs/dbraw/zinc/69/87/51/672698751.db2.gz FFEDSWKWAPABLL-MRXNPFEDSA-N 2 0 364.563 1.081 20 30 FDEDRP CCC[NH+]1CCC(CNC(=[NH+]CC)N2CCS(=O)(=O)C(C)(C)C2)CC1 ZINC000261992332 672708013 /nfs/dbraw/zinc/70/80/13/672708013.db2.gz RPSIRRUQIMKELT-UHFFFAOYSA-N 2 0 372.579 1.583 20 30 FDEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N(C)Cc1c(F)cccc1Cl ZINC000262787554 672849445 /nfs/dbraw/zinc/84/94/45/672849445.db2.gz MZUDSISUZQEKAJ-CYBMUJFWSA-N 2 0 353.873 1.486 20 30 FDEDRP C[NH+]=C(NC[C@@]1(N(C)C)CCSC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000262788244 672849871 /nfs/dbraw/zinc/84/98/71/672849871.db2.gz NCSHJGRLPSAHBR-IBGZPJMESA-N 2 0 367.607 1.996 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)c1cc(OC)cc(OC)c1 ZINC000267462452 673306699 /nfs/dbraw/zinc/30/66/99/673306699.db2.gz VNPZXCKLVZVKSH-WMLDXEAASA-N 2 0 350.463 1.126 20 30 FDEDRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=[NH2+])NCCc1cccs1 ZINC000303974696 676544018 /nfs/dbraw/zinc/54/40/18/676544018.db2.gz IFXOZXWMBBMGGZ-HNNXBMFYSA-N 2 0 351.520 1.138 20 30 FDEDRP C[C@H](NC(=O)NCC1(O)CC[NH+](C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329696561 676650054 /nfs/dbraw/zinc/65/00/54/676650054.db2.gz DOKXXMROTSESTK-HOTGVXAUSA-N 2 0 352.523 1.600 20 30 FDEDRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330123676 676674171 /nfs/dbraw/zinc/67/41/71/676674171.db2.gz ATYNVWPEAQDLJT-BMGDILEWSA-N 2 0 350.507 1.352 20 30 FDEDRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000330216670 676679256 /nfs/dbraw/zinc/67/92/56/676679256.db2.gz HYGWMYMNOPBJJF-JQHSSLGASA-N 2 0 352.523 1.552 20 30 FDEDRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000330245204 676680585 /nfs/dbraw/zinc/68/05/85/676680585.db2.gz XOZPZXUKNIZKKH-KURKYZTESA-N 2 0 352.523 1.694 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000419571978 680280294 /nfs/dbraw/zinc/28/02/94/680280294.db2.gz PWADIGOCWQVCET-YESZJQIVSA-N 2 0 350.507 1.187 20 30 FDEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CCNCc2cnsn2)C1 ZINC001104306036 774438461 /nfs/dbraw/zinc/43/84/61/774438461.db2.gz HHLDHAGAOJQDRN-INMHGKMJSA-N 2 0 361.515 1.210 20 30 FDEDRP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104683594 789389504 /nfs/dbraw/zinc/38/95/04/789389504.db2.gz NAVDXKXQBNRHRY-QZTJIDSGSA-N 2 0 351.535 1.995 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000892851369 791454393 /nfs/dbraw/zinc/45/43/93/791454393.db2.gz ILSBRQITXXDYPV-QZTJIDSGSA-N 2 0 350.507 1.268 20 30 FDEDRP C=CC[C@@]1(C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)CCC[NH2+]1 ZINC000662758654 803076355 /nfs/dbraw/zinc/07/63/55/803076355.db2.gz VONUCWXXMFSYKF-NRFANRHFSA-N 2 0 372.513 1.950 20 30 FDEDRP C=CC[C@@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCC[NH2+]1 ZINC000662759742 803088804 /nfs/dbraw/zinc/08/88/04/803088804.db2.gz VRXXNZYDJVALIK-FQEVSTJZSA-N 3 0 357.502 1.408 20 30 FDEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720918 809274604 /nfs/dbraw/zinc/27/46/04/809274604.db2.gz SLWKRLWAXKQWPA-HSALFYBXSA-N 2 0 357.498 1.725 20 30 FDEDRP COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001028549860 810618912 /nfs/dbraw/zinc/61/89/12/810618912.db2.gz BVYSJTHOBBAFOQ-HHXXYDBFSA-N 2 0 370.497 1.845 20 30 FDEDRP C[NH+]=C(NCc1cccnc1-n1ccnc1C)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261931063 811346594 /nfs/dbraw/zinc/34/65/94/811346594.db2.gz BJIIUCFFADJUOR-QAPCUYQASA-N 2 0 369.517 1.969 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000419564754 812020392 /nfs/dbraw/zinc/02/03/92/812020392.db2.gz CYGKDHHBISCUDM-KZNAEPCWSA-N 2 0 364.534 1.387 20 30 FDEDRP N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)c1 ZINC001075799552 820468819 /nfs/dbraw/zinc/46/88/19/820468819.db2.gz FXHMVLFQAGWFPT-PWRODBHTSA-N 2 0 364.493 1.933 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC[C@@H]3CCOC3)[C@@H]2CC)CC1 ZINC001087840440 822559616 /nfs/dbraw/zinc/55/96/16/822559616.db2.gz XPDGIMFLAQUIDT-YZGWKJHDSA-N 2 0 361.530 1.727 20 30 FDEDRP CC[N@@H+]1C[C@H](C)N(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C[C@H]1C ZINC000329002128 824530606 /nfs/dbraw/zinc/53/06/06/824530606.db2.gz XTUIULWGZKQYRM-SJORKVTESA-N 2 0 374.533 1.662 20 30 FDEDRP C[C@@H]1C[C@@H](NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000329824424 825487261 /nfs/dbraw/zinc/48/72/61/825487261.db2.gz ZYXQZDOWARQWMN-WBVHZDCISA-N 2 0 360.506 1.320 20 30 FDEDRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330189681 825712248 /nfs/dbraw/zinc/71/22/48/825712248.db2.gz VNHUGDRZBZAIEH-UKBAYJJMSA-N 2 0 366.550 1.988 20 30 FDEDRP CC#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001088234495 827598430 /nfs/dbraw/zinc/59/84/30/827598430.db2.gz UFFLDFDMVBMGOY-MISYRCLQSA-N 2 0 361.530 1.679 20 30 FDEDRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H](O)COc3ccccc3C#N)C2)CC1 ZINC000528375896 829369381 /nfs/dbraw/zinc/36/93/81/829369381.db2.gz DOPFPVUWHKTDBG-OALUTQOASA-N 2 0 358.486 1.010 20 30 FDEDRP C[NH+]=C(NCC1(N(C)C)Cc2ccccc2C1)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000262674180 830031273 /nfs/dbraw/zinc/03/12/73/830031273.db2.gz QNXREISUBCVCNH-QFBILLFUSA-N 2 0 369.557 1.876 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000264133410 838333250 /nfs/dbraw/zinc/33/32/50/838333250.db2.gz YUCIXJSTFBSLNN-UXHICEINSA-N 3 0 357.546 1.940 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000481881129 847068340 /nfs/dbraw/zinc/06/83/40/847068340.db2.gz ZDVPIDMIJUFAJL-IRXDYDNUSA-N 2 0 364.534 1.380 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC4CCOCC4)C[C@H]32)CC1 ZINC001076605743 848557391 /nfs/dbraw/zinc/55/73/91/848557391.db2.gz QORDCJQOMQTMTH-VQTJNVASSA-N 2 0 359.514 1.291 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000908369372 855354809 /nfs/dbraw/zinc/35/48/09/855354809.db2.gz KWXWEWLTPCPDKS-IRXDYDNUSA-N 2 0 352.523 1.188 20 30 FDEDRP CC(C)[N@@H+]1CC[C@H](CNC(NCCCN2CCOCC2)=[NH+]C(C)(C)C)C1 ZINC000912507105 859831229 /nfs/dbraw/zinc/83/12/29/859831229.db2.gz UYDHXLMAYIAHKW-GOSISDBHSA-N 2 0 367.582 1.773 20 30 FDEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C ZINC001106665818 876475961 /nfs/dbraw/zinc/47/59/61/876475961.db2.gz CSNMASHTSVVPRI-HLIPFELVSA-N 2 0 367.509 1.533 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000923378670 889052457 /nfs/dbraw/zinc/05/24/57/889052457.db2.gz LFKVFLJOLJYQDD-GGPKGHCWSA-N 2 0 359.470 1.516 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000923393349 889105194 /nfs/dbraw/zinc/10/51/94/889105194.db2.gz PACDVOYSKJEGAU-ONCXSQPRSA-N 2 0 359.470 1.659 20 30 FDEDRP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 ZINC000923531070 889632342 /nfs/dbraw/zinc/63/23/42/889632342.db2.gz NLPNTAZLLXSMJF-ABRLLLAPSA-N 2 0 368.268 1.940 20 30 FDEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001212460679 893830523 /nfs/dbraw/zinc/83/05/23/893830523.db2.gz JIIAROMDYJSMPT-IAGOWNOFSA-N 2 0 353.507 1.126 20 30 FDEDRP N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cc1 ZINC001084349277 914135374 /nfs/dbraw/zinc/13/53/74/914135374.db2.gz FVVFIPPUFUMQGR-NJDAHSKKSA-N 2 0 364.493 1.933 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC#C)CC2)C[C@H]1c1ccccc1F ZINC001079322414 902425985 /nfs/dbraw/zinc/42/59/85/902425985.db2.gz RZCYOVXXPIRRKD-PZJWPPBQSA-N 2 0 367.468 1.688 20 30 FDEDRP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442983 904940148 /nfs/dbraw/zinc/94/01/48/904940148.db2.gz VIZIPNICENLDDN-QKNQBKEWSA-N 2 0 361.530 1.871 20 30 FDEDRP C=CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001107449666 904971795 /nfs/dbraw/zinc/97/17/95/904971795.db2.gz SRQZAWONJVTFFM-MBOZVWFJSA-N 2 0 362.518 1.134 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2OC)CC1 ZINC001082384330 907387948 /nfs/dbraw/zinc/38/79/48/907387948.db2.gz PYONZOZNAMXQFG-WOJBJXKFSA-N 2 0 355.482 1.347 20 30 FDEDRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C)cc1C#N ZINC001082861919 910523461 /nfs/dbraw/zinc/52/34/61/910523461.db2.gz SLDQMODMORPPOL-SZVBFZGTSA-N 2 0 370.497 1.845 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001082921850 910924508 /nfs/dbraw/zinc/92/45/08/910924508.db2.gz OHNYUFPEKNPGEV-CRAIPNDOSA-N 2 0 356.470 1.599 20 30 FDEDRP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1 ZINC001083139987 912146144 /nfs/dbraw/zinc/14/61/44/912146144.db2.gz FSCJQPDMVHQXOH-ZWKOTPCHSA-N 2 0 353.426 1.369 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cnoc4C)[C@H]3C2)CC1 ZINC001085100702 920915613 /nfs/dbraw/zinc/91/56/13/920915613.db2.gz XVEWZVHXTKFWGA-XLIONFOSSA-N 2 0 370.497 1.751 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC[C@@H]2CCCO2)CC1 ZINC001085432733 924679750 /nfs/dbraw/zinc/67/97/50/924679750.db2.gz NMACPUUISQABHF-XUVXKRRUSA-N 2 0 361.530 1.918 20 30 FDEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001086368986 926861559 /nfs/dbraw/zinc/86/15/59/926861559.db2.gz JOSQXVSLVHLQDT-DDBAPUKQSA-N 2 0 369.937 1.970 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1n1ccnn1 ZINC001129949157 938574053 /nfs/dbraw/zinc/57/40/53/938574053.db2.gz RROWSXRWRPCANA-MSOLQXFVSA-N 2 0 360.506 1.460 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130012160 938614793 /nfs/dbraw/zinc/61/47/93/938614793.db2.gz RYKATLZLUZCYOZ-SJORKVTESA-N 2 0 362.522 1.564 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130148155 938706993 /nfs/dbraw/zinc/70/69/93/938706993.db2.gz IFXPQPHAUCSCHD-MSOLQXFVSA-N 2 0 360.506 1.462 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1c1cn(C)cn1 ZINC001130610003 939907581 /nfs/dbraw/zinc/90/75/81/939907581.db2.gz FJGIAAFNAIQDLK-CMKODMSKSA-N 2 0 371.529 1.305 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130632560 939935911 /nfs/dbraw/zinc/93/59/11/939935911.db2.gz GCEUFEOEYLKGJL-PKOBYXMFSA-N 2 0 371.529 1.592 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1c1cn(C)cn1 ZINC001130734500 940034431 /nfs/dbraw/zinc/03/44/31/940034431.db2.gz UGXLNWCKMLCZKI-UHOSZYNNSA-N 2 0 359.518 1.755 20 30 FDEDRP C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](CC)[NH+](C)C)n2)O1 ZINC001130809081 940185235 /nfs/dbraw/zinc/18/52/35/940185235.db2.gz GJEWFXFTMNSITO-SOUVJXGZSA-N 2 0 364.494 1.147 20 30 FDEDRP C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[NH+](CC)CC)n2)O1 ZINC001130811701 940204621 /nfs/dbraw/zinc/20/46/21/940204621.db2.gz FOVVGUPUECRLGG-LSDHHAIUSA-N 2 0 364.494 1.149 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCC=C)C2)CC1 ZINC001131127849 940509714 /nfs/dbraw/zinc/50/97/14/940509714.db2.gz HYUCHIZIQGBEFA-RTBURBONSA-N 2 0 369.513 1.225 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131130588 940511220 /nfs/dbraw/zinc/51/12/20/940511220.db2.gz UQPLCSCNPZXOAJ-QZTJIDSGSA-N 2 0 359.518 1.756 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1c1cncn1C ZINC001131132440 940512559 /nfs/dbraw/zinc/51/25/59/940512559.db2.gz KXUNOELPYJAOQY-KZNAEPCWSA-N 2 0 359.518 1.755 20 30 FDEDRP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001131526268 940711012 /nfs/dbraw/zinc/71/10/12/940711012.db2.gz JDQKFJCHQADPMZ-MOPGFXCFSA-N 2 0 359.514 1.624 20 30 FDEDRP C#CC[NH+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)c2)C1 ZINC001091400539 951572847 /nfs/dbraw/zinc/57/28/47/951572847.db2.gz LMMQVLVOBYFLRY-HSALFYBXSA-N 2 0 370.497 1.514 20 30 FDEDRP NC(=O)c1ccc(C(=[NH2+])Nc2ccc([C@]34CC[NH2+][C@@H]3COCC4)cc2)cc1 ZINC001171255522 951647921 /nfs/dbraw/zinc/64/79/21/951647921.db2.gz AYHROIQVWVVDNB-WIYYLYMNSA-N 2 0 364.449 1.843 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCOCC3)C2)CC1 ZINC001086882507 952914374 /nfs/dbraw/zinc/91/43/74/952914374.db2.gz UEASKRQFUOCBSZ-AZUAARDMSA-N 2 0 361.530 1.633 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1c1cnn(C)c1 ZINC001086987600 953010709 /nfs/dbraw/zinc/01/07/09/953010709.db2.gz BHQGEOTXGLPWGX-RBUKOAKNSA-N 2 0 364.453 1.842 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001087011383 953103958 /nfs/dbraw/zinc/10/39/58/953103958.db2.gz UDNRLXDXLPAJKH-OTWHNJEPSA-N 2 0 359.518 1.611 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3cnoc3C)C[C@H]2C)CC1 ZINC001093223631 957854302 /nfs/dbraw/zinc/85/43/02/957854302.db2.gz DQBYHPYFUCFQDR-CRAIPNDOSA-N 2 0 358.486 1.512 20 30 FDEDRP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001093469755 958223814 /nfs/dbraw/zinc/22/38/14/958223814.db2.gz KMONNINNCZQIGG-UKAVVXHISA-N 2 0 363.546 1.870 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000636677735 1013188154 /nfs/dbraw/zinc/18/81/54/1013188154.db2.gz XQZSDCYSSTWMJU-UHFFFAOYSA-N 2 0 362.518 1.230 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3cnccc3C)[C@H](C)C2)CC1 ZINC001094240020 960159705 /nfs/dbraw/zinc/15/97/05/960159705.db2.gz NHNKCZSUVUUYDF-WIYYLYMNSA-N 2 0 368.525 1.919 20 30 FDEDRP C#C[C@H](NCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CCCO1 ZINC000775793539 972513794 /nfs/dbraw/zinc/51/37/94/972513794.db2.gz MCBKIJGRDYBTDD-OALUTQOASA-N 2 0 373.522 1.944 20 30 FDEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001189653012 967165039 /nfs/dbraw/zinc/16/50/39/967165039.db2.gz PXWOYASJQUIJIZ-AZUAARDMSA-N 2 0 370.497 1.963 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCCC2)C[C@H]1C[NH+](C)C ZINC000867589381 976445424 /nfs/dbraw/zinc/44/54/24/976445424.db2.gz GNWCHYVZIGZAHC-IAGOWNOFSA-N 2 0 370.563 1.461 20 30 FDEDRP C[NH+](C)CCOc1cccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c1 ZINC000884185897 982961127 /nfs/dbraw/zinc/96/11/27/982961127.db2.gz KVYBUTLQXBRDNV-OHTSDLOESA-N 2 0 356.470 1.383 20 30 FDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1CC[N@H+](CCc3ccccc3)C1)C2 ZINC000884203945 982979230 /nfs/dbraw/zinc/97/92/30/982979230.db2.gz JTYWVJWLQGWHRP-NYOITOSFSA-N 2 0 366.509 1.807 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000332485664 983063363 /nfs/dbraw/zinc/06/33/63/983063363.db2.gz NPCSFNISJLJTFK-WMZOPIPTSA-N 2 0 362.518 1.086 20 30 FDEDRP C#CCN1CCC[C@@H](NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000884458907 983167791 /nfs/dbraw/zinc/16/77/91/983167791.db2.gz PUCFCYHCLQYLRG-GOSISDBHSA-N 2 0 362.518 1.274 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)C(C)C ZINC000884614467 983278028 /nfs/dbraw/zinc/27/80/28/983278028.db2.gz NURXNYGPBBLQAK-KZNAEPCWSA-N 2 0 362.518 1.154 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000884642202 984648804 /nfs/dbraw/zinc/64/88/04/984648804.db2.gz CSJSFTFEQMSHIW-SFHVURJKSA-N 2 0 372.513 1.219 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)C2(C[NH3+])CCCCC2)CC1 ZINC000884642920 984650606 /nfs/dbraw/zinc/65/06/06/984650606.db2.gz SUXIZJARICDRDV-UHFFFAOYSA-N 2 0 350.507 1.263 20 30 FDEDRP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000871050806 986617378 /nfs/dbraw/zinc/61/73/78/986617378.db2.gz KDCNOUHXAMBWDZ-BDXSIMOUSA-N 2 0 372.517 1.530 20 30 FDEDRP C=CCc1cc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc(OC)c1O ZINC000872254946 987546359 /nfs/dbraw/zinc/54/63/59/987546359.db2.gz GQMDRMOTXQIPML-JZXOWHBKSA-N 2 0 373.453 1.496 20 30 FDEDRP Cc1cccc(C#N)c1S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000872477706 987702386 /nfs/dbraw/zinc/70/23/86/987702386.db2.gz KMVRMMVAJBHQOO-UHFFFAOYSA-N 2 0 364.515 1.513 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000363343689 989111244 /nfs/dbraw/zinc/11/12/44/989111244.db2.gz XUVHTQUMQJAUHS-QZTJIDSGSA-N 2 0 361.530 1.679 20 30 FDEDRP C=CCNC(=O)NC(=O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000374106456 992615508 /nfs/dbraw/zinc/61/55/08/992615508.db2.gz LCBRFSURICLSBT-SJLPKXTDSA-N 2 0 358.486 1.841 20 30 FDEDRP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000876731060 992845017 /nfs/dbraw/zinc/84/50/17/992845017.db2.gz NGLRZMDHYQSGEE-YRNRMSPPSA-N 2 0 370.497 1.751 20 30 FDEDRP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876891946 992951787 /nfs/dbraw/zinc/95/17/87/992951787.db2.gz IEDQSVQCWUUCNU-HXUWFJFHSA-N 2 0 370.497 1.704 20 30 FDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000876896671 992957483 /nfs/dbraw/zinc/95/74/83/992957483.db2.gz KLSNHCFZRGFDGD-SJORKVTESA-N 2 0 351.878 1.864 20 30 FDEDRP CC[C@@H]1C[NH+](Cc2cc(C#N)cc(C[N@@H+]3C[C@H](O)[C@@H](CC)C3)c2)C[C@H]1O ZINC000878322069 993906518 /nfs/dbraw/zinc/90/65/18/993906518.db2.gz WFZNGDYGJBNVFQ-FXELSEDVSA-N 2 0 357.498 1.964 20 30 FDEDRP C[NH+]1CCN(C2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC000879593568 995064281 /nfs/dbraw/zinc/06/42/81/995064281.db2.gz ZWMNURIGUXFBKC-UHFFFAOYSA-N 2 0 355.486 1.599 20 30 FDEDRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264082294 997398635 /nfs/dbraw/zinc/39/86/35/997398635.db2.gz HUJYGICHUUAXLN-QGZVFWFLSA-N 2 0 359.522 1.568 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(CN2CCCC2=O)c1 ZINC000264090022 997399732 /nfs/dbraw/zinc/39/97/32/997399732.db2.gz KSBNUSWYTVZIAF-GOSISDBHSA-N 2 0 357.502 1.698 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000264114000 997403680 /nfs/dbraw/zinc/40/36/80/997403680.db2.gz PNMMQGJHENIHCL-DOTOQJQBSA-N 2 0 360.506 1.195 20 30 FDEDRP C[NH+](C)Cc1cccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)c1 ZINC000264111752 997404202 /nfs/dbraw/zinc/40/42/02/997404202.db2.gz RBEXVOREEHYZCP-UHFFFAOYSA-N 2 0 353.474 1.175 20 30 FDEDRP C#CCN(C(=O)C(=O)NC1CCC(C)([NH+]2CCC2)CC1)C1CC[NH+](C)CC1 ZINC000932687549 1005097168 /nfs/dbraw/zinc/09/71/68/1005097168.db2.gz UYVAHKYMZNTNHH-UHFFFAOYSA-N 2 0 374.529 1.066 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)C(C)C ZINC000642769893 1007890877 /nfs/dbraw/zinc/89/08/77/1007890877.db2.gz UCLNIGFABRGIBO-SJORKVTESA-N 2 0 350.507 1.060 20 30 FDEDRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=[NH2+])NC[C@H]3CCCO3)cc2)C[C@H](C)O1 ZINC000303263269 1008783936 /nfs/dbraw/zinc/78/39/36/1008783936.db2.gz QUMHEVWGFFZQSE-JTDSTZFVSA-N 2 0 360.502 1.879 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000303771103 1009575252 /nfs/dbraw/zinc/57/52/52/1009575252.db2.gz CKKLPWRDQNUQAB-LJQANCHMSA-N 2 0 359.518 1.321 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Cn2ccccc2=O)cc1 ZINC000303865997 1009643587 /nfs/dbraw/zinc/64/35/87/1009643587.db2.gz CBEDNAIFWAPNIU-LJQANCHMSA-N 2 0 367.497 1.785 20 30 FDEDRP CC[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000303906564 1009688801 /nfs/dbraw/zinc/68/88/01/1009688801.db2.gz WFDXCDZVCUAYCF-FQEVSTJZSA-N 2 0 373.545 1.450 20 30 FDEDRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@H]2CN(C)Cc2ccccc2C#N)O1 ZINC000960715570 1011239484 /nfs/dbraw/zinc/23/94/84/1011239484.db2.gz DDKPCFGEQBAIEP-LSTHTHJFSA-N 2 0 370.497 1.700 20 30 FDEDRP C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)N1CCSCC1 ZINC000131240405 173194446 /nfs/dbraw/zinc/19/44/46/173194446.db2.gz OCZPPWGIXSVDMA-INIZCTEOSA-N 2 0 360.527 1.886 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000557769806 544344611 /nfs/dbraw/zinc/34/46/11/544344611.db2.gz SRESCDMINQZCBQ-IRXDYDNUSA-N 2 0 364.534 1.380 20 30 FDEDRP C[NH+]1CCN(c2cc(C[NH2+]Cc3cnc4c(C#N)cnn4c3)ccn2)CC1 ZINC000559272853 544622762 /nfs/dbraw/zinc/62/27/62/544622762.db2.gz HFYYKBOGCROAMC-UHFFFAOYSA-N 2 0 362.441 1.038 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000559777391 544794983 /nfs/dbraw/zinc/79/49/83/544794983.db2.gz WQOVJYKKTJTGOT-MRXNPFEDSA-N 2 0 350.507 1.134 20 30 FDEDRP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000328960400 259068824 /nfs/dbraw/zinc/06/88/24/259068824.db2.gz QJGKVACXCBPXNZ-QFUCXCTJSA-N 2 0 372.513 1.256 20 30 FDEDRP C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000329075888 259075647 /nfs/dbraw/zinc/07/56/47/259075647.db2.gz AOUBJUQULVQNIT-IRXDYDNUSA-N 2 0 370.497 1.952 20 30 FDEDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000330831532 259164848 /nfs/dbraw/zinc/16/48/48/259164848.db2.gz UPWSSYRTQWHXHO-UHFFFAOYSA-N 2 0 364.515 1.346 20 30 FDEDRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000333805152 259383630 /nfs/dbraw/zinc/38/36/30/259383630.db2.gz IKMDOWOTUPTIAN-APWZRJJASA-N 2 0 355.486 1.916 20 30 FDEDRP C[C@H]1C[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000333872845 259388940 /nfs/dbraw/zinc/38/89/40/259388940.db2.gz UWIQQQVGQJHARD-LPHOPBHVSA-N 2 0 355.486 1.916 20 30 FDEDRP CN1CC[NH+](CC2(C)CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)CC1 ZINC000368822507 260242558 /nfs/dbraw/zinc/24/25/58/260242558.db2.gz KSCOVAXEGIHXDO-HXUWFJFHSA-N 2 0 356.514 1.941 20 30 FDEDRP C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000073078990 522462873 /nfs/dbraw/zinc/46/28/73/522462873.db2.gz WDVONHMHJWJSBB-UHFFFAOYSA-N 2 0 371.529 1.742 20 30 FDEDRP C=CCNC(=O)C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000081156111 523946441 /nfs/dbraw/zinc/94/64/41/523946441.db2.gz TURJMWCIOCQXMX-UHFFFAOYSA-N 2 0 372.513 1.249 20 30 FDEDRP C[NH+]=C(NCc1nncn1-c1ccccc1)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158415666 524465435 /nfs/dbraw/zinc/46/54/35/524465435.db2.gz IVJWUEDACPGSOB-RDJZCZTQSA-N 2 0 355.490 1.661 20 30 FDEDRP CN1CCN([C@H]2CCCC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000174889753 524781231 /nfs/dbraw/zinc/78/12/31/524781231.db2.gz YEVBRNSNBLFRGP-FQEVSTJZSA-N 2 0 369.513 1.989 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000106562941 525758897 /nfs/dbraw/zinc/75/88/97/525758897.db2.gz NLADVEYLCHJAOG-LJQANCHMSA-N 2 0 363.550 1.448 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(S(=O)(=O)CC)s1 ZINC000279925180 537359228 /nfs/dbraw/zinc/35/92/28/537359228.db2.gz FPJITKMGWQSUBY-LBPRGKRZSA-N 2 0 358.533 1.430 20 30 FDEDRP C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375833851 537778646 /nfs/dbraw/zinc/77/86/46/537778646.db2.gz VNLRQDPIIGPAOT-UXHICEINSA-N 2 0 372.513 1.398 20 30 FDEDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)CC1 ZINC000377888101 538038054 /nfs/dbraw/zinc/03/80/54/538038054.db2.gz OJGPGOYRIGGXFO-LJQANCHMSA-N 2 0 369.513 1.987 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000560773339 545601472 /nfs/dbraw/zinc/60/14/72/545601472.db2.gz BEOTVVXTSNJJJP-KRWDZBQOSA-N 2 0 364.534 1.380 20 30 FDEDRP N#Cc1cnn2cc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cnc12 ZINC000576943847 550602994 /nfs/dbraw/zinc/60/29/94/550602994.db2.gz YPBYHDGEEHUGBI-UHFFFAOYSA-N 2 0 354.458 1.678 20 30 FDEDRP N#Cc1ccc(C[NH+]2CCC(NCc3nc(C[NH3+])cc(=O)[nH]3)CC2)cc1 ZINC000596651952 552697171 /nfs/dbraw/zinc/69/71/71/552697171.db2.gz DCTISUSYZVDGTR-UHFFFAOYSA-N 2 0 352.442 1.267 20 30 FDEDRP N#Cc1cnn2cc(C[NH2+]CC3CC[NH+](Cc4ccncc4)CC3)cnc12 ZINC000597191460 552759185 /nfs/dbraw/zinc/75/91/85/552759185.db2.gz JWGRTJKIMXJNBK-UHFFFAOYSA-N 2 0 361.453 1.998 20 30 FDEDRP N#CC1(C[C@@H](O)C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000600722912 553307056 /nfs/dbraw/zinc/30/70/56/553307056.db2.gz RXHWTZHPFZJYQN-RBUKOAKNSA-N 2 0 370.497 1.528 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1)C(C)C ZINC000627371379 557375265 /nfs/dbraw/zinc/37/52/65/557375265.db2.gz COLFGJDCBGIYCJ-YESZJQIVSA-N 2 0 350.507 1.058 20 30 FDEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH+]C)N2CCS[C@@H](C(C)C)C2)CC1 ZINC000261822325 672678245 /nfs/dbraw/zinc/67/82/45/672678245.db2.gz URCNZLPFERBGOE-IAGOWNOFSA-N 2 0 355.596 1.661 20 30 FDEDRP CN(C)C(=O)C[NH+]=C(NCc1cccs1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262247143 672754045 /nfs/dbraw/zinc/75/40/45/672754045.db2.gz BFAKYSUHZMMYSD-HNNXBMFYSA-N 2 0 361.515 1.228 20 30 FDEDRP COCC[N@H+](C)CCCNC(=[NH2+])NCCc1ccc(OC)c(OC)c1 ZINC000264129107 672901967 /nfs/dbraw/zinc/90/19/67/672901967.db2.gz XHKSTVGJTHSUHK-UHFFFAOYSA-N 2 0 352.479 1.119 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000303876843 676543537 /nfs/dbraw/zinc/54/35/37/676543537.db2.gz FBJFOCJLEGUCJM-GJZGRUSLSA-N 2 0 353.511 1.775 20 30 FDEDRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)CC1 ZINC000328977632 676614747 /nfs/dbraw/zinc/61/47/47/676614747.db2.gz QNPSFVDZDZMMGC-YQVWRLOYSA-N 2 0 353.507 1.679 20 30 FDEDRP CC[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@@H+]1C[C@@H](C)O ZINC000329759836 676653290 /nfs/dbraw/zinc/65/32/90/676653290.db2.gz PJXZMCLBWPNTEN-CUHOHZIGSA-N 2 0 352.523 1.693 20 30 FDEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329822318 676659220 /nfs/dbraw/zinc/65/92/20/676659220.db2.gz YYVFSKAULIKDEY-NVXWUHKLSA-N 2 0 350.507 1.618 20 30 FDEDRP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000330446539 676691107 /nfs/dbraw/zinc/69/11/07/676691107.db2.gz XUZYCBBKXVCALY-BBWFWOEESA-N 2 0 350.507 1.568 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+])C(C)C ZINC000417057685 679742133 /nfs/dbraw/zinc/74/21/33/679742133.db2.gz CEPLKAJHNUQBCR-RCCFBDPRSA-N 2 0 352.523 1.833 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000419702734 680328994 /nfs/dbraw/zinc/32/89/94/680328994.db2.gz BWRNCEJBKHVODS-UHFFFAOYSA-N 2 0 350.507 1.311 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000440991661 682043297 /nfs/dbraw/zinc/04/32/97/682043297.db2.gz XRDFXJGTEPCBHE-UHFFFAOYSA-N 2 0 351.539 1.352 20 30 FDEDRP N#CCC1(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000430574547 776117798 /nfs/dbraw/zinc/11/77/98/776117798.db2.gz OGWXMHATXCDSOI-UHFFFAOYSA-N 2 0 356.474 1.587 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nccn3C)C2)CC1 ZINC001105060511 795102418 /nfs/dbraw/zinc/10/24/18/795102418.db2.gz HCXSXTXNDUGJDV-IEBWSBKVSA-N 2 0 371.529 1.340 20 30 FDEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720919 809274350 /nfs/dbraw/zinc/27/43/50/809274350.db2.gz SLWKRLWAXKQWPA-SLFFLAALSA-N 2 0 357.498 1.725 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)C(C)C ZINC000433381565 810490201 /nfs/dbraw/zinc/49/02/01/810490201.db2.gz AIVCQMXOTVNBDS-IAGOWNOFSA-N 2 0 360.506 1.631 20 30 FDEDRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CC#Cc3ccc(F)cc3)C2)CC[N@@H+]1C ZINC001028549846 810618836 /nfs/dbraw/zinc/61/88/36/810618836.db2.gz BQMRMOOUXQZEQT-IMFGXOCKSA-N 2 0 357.473 1.956 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)C(C)C ZINC000419564755 812019994 /nfs/dbraw/zinc/01/99/94/812019994.db2.gz CYGKDHHBISCUDM-OKZBNKHCSA-N 2 0 364.534 1.387 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)C(C)C ZINC000419564715 812020484 /nfs/dbraw/zinc/02/04/84/812020484.db2.gz CUAJDMZIQMXZOP-FUHWJXTLSA-N 2 0 364.534 1.387 20 30 FDEDRP C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)nc2)C1 ZINC000328933815 819583103 /nfs/dbraw/zinc/58/31/03/819583103.db2.gz IRVMHKMDUJNCKK-SJORKVTESA-N 2 0 358.490 1.200 20 30 FDEDRP CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@H]1C ZINC000329006199 824532369 /nfs/dbraw/zinc/53/23/69/824532369.db2.gz YXXKAQMEAVIBAC-SJORKVTESA-N 2 0 374.533 1.662 20 30 FDEDRP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)[C@H]2C1 ZINC000329272089 824708054 /nfs/dbraw/zinc/70/80/54/824708054.db2.gz IKFSIRDBSJUUMN-YSHGAJCASA-N 2 0 364.534 1.694 20 30 FDEDRP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[NH+](C3CCC3)CC2)CCC[N@@H+]1C ZINC000329360487 824754755 /nfs/dbraw/zinc/75/47/55/824754755.db2.gz XZNWTISKOXQEIU-QFBILLFUSA-N 2 0 374.533 1.887 20 30 FDEDRP CN(C)C(=O)CNC(=[NH+]C1CCCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262335556 825338339 /nfs/dbraw/zinc/33/83/39/825338339.db2.gz VZPAHSGJXZYMBY-GOSISDBHSA-N 2 0 363.550 1.913 20 30 FDEDRP C[C@@H]1C[C@H](NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000329824423 825487292 /nfs/dbraw/zinc/48/72/92/825487292.db2.gz ZYXQZDOWARQWMN-NVXWUHKLSA-N 2 0 360.506 1.320 20 30 FDEDRP Cc1nn(C)c(-n2ccnc2C)c1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000329881412 825521077 /nfs/dbraw/zinc/52/10/77/825521077.db2.gz OMUATAPRAKNUGH-MRXNPFEDSA-N 2 0 374.489 1.884 20 30 FDEDRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000330234067 825748850 /nfs/dbraw/zinc/74/88/50/825748850.db2.gz SKQBZTYCSGAFEO-QRQLOZEOSA-N 2 0 364.534 1.696 20 30 FDEDRP N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)cc1 ZINC001088201286 827444263 /nfs/dbraw/zinc/44/42/63/827444263.db2.gz USTMWKMEWVSYMF-UXHICEINSA-N 2 0 352.482 1.934 20 30 FDEDRP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000086626420 841557826 /nfs/dbraw/zinc/55/78/26/841557826.db2.gz NRPQYEVILPOQLU-BBWFWOEESA-N 2 0 364.534 1.610 20 30 FDEDRP N#C[C@H]1CCC[C@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000461968743 843265896 /nfs/dbraw/zinc/26/58/96/843265896.db2.gz VVOOOSNABBHETG-SJLPKXTDSA-N 2 0 356.474 1.585 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C(C)C)C[C@H]1O ZINC001105668099 843754747 /nfs/dbraw/zinc/75/47/47/843754747.db2.gz HLIKSZJSAJMYJZ-VURPSTOHSA-N 2 0 363.546 1.708 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4conc4CC)C[C@H]32)CC1 ZINC001076604598 848553410 /nfs/dbraw/zinc/55/34/10/848553410.db2.gz NFUIXVQZSBGPKE-FXAWDEMLSA-N 2 0 370.497 1.615 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](C[C@H]4CCCOC4)C[C@H]32)CC1 ZINC001076604592 848553466 /nfs/dbraw/zinc/55/34/66/848553466.db2.gz NCLBVZXLHJDRIK-YZGWKJHDSA-N 2 0 359.514 1.291 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC1 ZINC000906654845 853107959 /nfs/dbraw/zinc/10/79/59/853107959.db2.gz YUAIWWYBDMXJNY-UHFFFAOYSA-N 2 0 358.486 1.976 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000912524509 859855665 /nfs/dbraw/zinc/85/56/65/859855665.db2.gz YNPOUMFOKNXICE-UHFFFAOYSA-N 2 0 356.514 1.965 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1 ZINC001105945078 864179091 /nfs/dbraw/zinc/17/90/91/864179091.db2.gz KDVGYBFIWSZYAL-YVWKXTFCSA-N 2 0 357.473 1.956 20 30 FDEDRP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106881304 881906264 /nfs/dbraw/zinc/90/62/64/881906264.db2.gz BJBHPYJUMCLOOO-TZMCWYRMSA-N 2 0 356.308 1.675 20 30 FDEDRP C#CCN(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000913893296 869935682 /nfs/dbraw/zinc/93/56/82/869935682.db2.gz NTFKAFORZOEVRL-IBGZPJMESA-N 2 0 354.498 2.000 20 30 FDEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001106765629 877637505 /nfs/dbraw/zinc/63/75/05/877637505.db2.gz MOMDEBABDXTZLT-YLJYHZDGSA-N 2 0 357.498 1.696 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676094338 885993909 /nfs/dbraw/zinc/99/39/09/885993909.db2.gz ILGWBWSIKHHJJO-UHFFFAOYSA-N 2 0 368.441 1.363 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000923375332 889044052 /nfs/dbraw/zinc/04/40/52/889044052.db2.gz JOYPPYDLCTWTFX-YZGWKJHDSA-N 2 0 359.470 1.516 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000923390883 889081956 /nfs/dbraw/zinc/08/19/56/889081956.db2.gz YWFBGJWSKFJUNP-JRBPQWBISA-N 2 0 359.470 1.516 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000921992450 893919747 /nfs/dbraw/zinc/91/97/47/893919747.db2.gz WDLSHTJNCQXBIC-PXNSSMCTSA-N 2 0 354.498 1.904 20 30 FDEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273693 902289714 /nfs/dbraw/zinc/28/97/14/902289714.db2.gz MEMKRICHQCOTQE-CEXWTWQISA-N 2 0 361.530 1.844 20 30 FDEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[NH+]3CCCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273970 902337184 /nfs/dbraw/zinc/33/71/84/902337184.db2.gz ZIIDTWIUVDFLTK-RBUKOAKNSA-N 2 0 361.530 1.988 20 30 FDEDRP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107495415 905199662 /nfs/dbraw/zinc/19/96/62/905199662.db2.gz OAGPFDOBFGIKTL-WIYYLYMNSA-N 2 0 361.530 1.871 20 30 FDEDRP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001107587663 905845834 /nfs/dbraw/zinc/84/58/34/905845834.db2.gz UOBWWPRDICWNAJ-TZIWHRDSSA-N 2 0 361.530 1.729 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001082561961 908632452 /nfs/dbraw/zinc/63/24/52/908632452.db2.gz CPJJWCSAXSPOEW-DNVCBOLYSA-N 2 0 370.497 1.988 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001082863089 910528078 /nfs/dbraw/zinc/52/80/78/910528078.db2.gz KJRKODZYMHFBRM-CRAIPNDOSA-N 2 0 368.481 1.599 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cnn(C)c4)[C@H]3C2)CC1 ZINC001085100672 920915565 /nfs/dbraw/zinc/91/55/65/920915565.db2.gz WBTXTFOEVULJKP-QUCCMNQESA-N 2 0 369.513 1.188 20 30 FDEDRP C[C@H]1C[N@H+](Cc2ccccn2)CCC1=NNC(=S)NCCC[NH+](C)C ZINC000734364956 923259978 /nfs/dbraw/zinc/25/99/78/923259978.db2.gz NBNGCDJGHVGGLF-HNNXBMFYSA-N 2 0 362.547 1.695 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnn(C)c2)CC1 ZINC001085432860 924679735 /nfs/dbraw/zinc/67/97/35/924679735.db2.gz TYUBNGZEQWHRAO-RTBURBONSA-N 2 0 357.502 1.282 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCCCO2)CC1 ZINC001085432794 924680171 /nfs/dbraw/zinc/68/01/71/924680171.db2.gz PRECOQKGURMLGW-XUVXKRRUSA-N 2 0 361.530 1.918 20 30 FDEDRP C=CCCCCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370716 929392515 /nfs/dbraw/zinc/39/25/15/929392515.db2.gz YYAGOXDBELLHEG-MSOLQXFVSA-N 2 0 362.522 1.708 20 30 FDEDRP C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCC[NH+](C)C)C2 ZINC001112566084 931617554 /nfs/dbraw/zinc/61/75/54/931617554.db2.gz JLDAHGNORLUMRB-PXNSSMCTSA-N 2 0 364.534 1.239 20 30 FDEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129485191 938440820 /nfs/dbraw/zinc/44/08/20/938440820.db2.gz YYQNMBSUQKPOJH-MSOLQXFVSA-N 2 0 360.506 1.462 20 30 FDEDRP C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001130293000 938796377 /nfs/dbraw/zinc/79/63/77/938796377.db2.gz HHORNHRWVBTBTO-LMMKCTJWSA-N 2 0 364.534 1.378 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130590531 939897693 /nfs/dbraw/zinc/89/76/93/939897693.db2.gz VLPKHMXXCKEIRW-UHOSZYNNSA-N 2 0 359.518 1.753 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130687966 939978168 /nfs/dbraw/zinc/97/81/68/939978168.db2.gz ZAWVVUNDRWRTNY-PKOBYXMFSA-N 2 0 357.502 1.059 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCCC)C2)CC1 ZINC001130734521 940034982 /nfs/dbraw/zinc/03/49/82/940034982.db2.gz VPNLEGVVDCVDTN-AZUAARDMSA-N 2 0 371.529 1.449 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1c1cncn1C ZINC001130994230 940416524 /nfs/dbraw/zinc/41/65/24/940416524.db2.gz OKRPTQYDFGEGPV-QZTJIDSGSA-N 2 0 371.529 1.592 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1c1cncn1C ZINC001131003327 940429585 /nfs/dbraw/zinc/42/95/85/940429585.db2.gz DCQFLRXMNPZANC-BRWVUGGUSA-N 2 0 365.497 1.560 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131035519 940464899 /nfs/dbraw/zinc/46/48/99/940464899.db2.gz DPELKZAAGFCIQE-GGPKGHCWSA-N 2 0 371.529 1.755 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1c1cncn1C ZINC001131084197 940489257 /nfs/dbraw/zinc/48/92/57/940489257.db2.gz LVMWWVFUQAKIPH-IPMKNSEASA-N 2 0 371.529 1.592 20 30 FDEDRP COC(=O)c1ccc(C(=[NH2+])Nc2ccc(C[C@@H](C[NH3+])C(=O)OC)cc2)cc1 ZINC001170988622 945034500 /nfs/dbraw/zinc/03/45/00/945034500.db2.gz CSYRFEGDUHSADB-INIZCTEOSA-N 2 0 369.421 1.801 20 30 FDEDRP COc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N ZINC001091035752 948533613 /nfs/dbraw/zinc/53/36/13/948533613.db2.gz FZYTZTFSJHSOMF-WLHONDITSA-N 2 0 370.497 1.891 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001091035891 948534796 /nfs/dbraw/zinc/53/47/96/948534796.db2.gz MNZYCZXKGMQXKO-WLHONDITSA-N 2 0 370.497 1.891 20 30 FDEDRP C=C(C[NH+](C)C)C(=O)Nc1ccc(OCCCN2CC[NH+](C)CC2)cc1 ZINC000846446423 951070331 /nfs/dbraw/zinc/07/03/31/951070331.db2.gz KAVSQOSIQWOSTA-UHFFFAOYSA-N 2 0 360.502 1.759 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1c1cnn(C)c1 ZINC001086978964 952991791 /nfs/dbraw/zinc/99/17/91/952991791.db2.gz BALIBTAITFNZPC-ZWKOTPCHSA-N 2 0 357.502 1.202 20 30 FDEDRP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1nccn12 ZINC001092373133 955046399 /nfs/dbraw/zinc/04/63/99/955046399.db2.gz PTAKNIWIAQMYMN-GVDBMIGSSA-N 2 0 357.502 1.761 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133057 957617758 /nfs/dbraw/zinc/61/77/58/957617758.db2.gz NPUAMYIAIIHYLQ-CRAIPNDOSA-N 2 0 370.472 1.977 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3ncccc3C)[C@H](C)C2)CC1 ZINC001094239894 960157855 /nfs/dbraw/zinc/15/78/55/960157855.db2.gz IUPVBDNIUOPSNI-UYAOXDASSA-N 2 0 368.525 1.919 20 30 FDEDRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C[C@H]1C#N ZINC001172975654 961860738 /nfs/dbraw/zinc/86/07/38/961860738.db2.gz JCJVKOGDBLTQSZ-IRXDYDNUSA-N 2 0 366.506 1.572 20 30 FDEDRP C=C(C[NH+]1CCCC1)C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001183076109 962778440 /nfs/dbraw/zinc/77/84/40/962778440.db2.gz QZFOZBXWMYQFFV-UHFFFAOYSA-N 2 0 358.486 1.391 20 30 FDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC12CCOCC2 ZINC001186383568 964489701 /nfs/dbraw/zinc/48/97/01/964489701.db2.gz ZHZPNCYKRSOHPP-CEXWTWQISA-N 2 0 361.530 1.585 20 30 FDEDRP C=CCN1CCN(C(=O)C2CC[NH+](C3CCN(C(C)=O)CC3)CC2)CC1 ZINC001179010534 964626990 /nfs/dbraw/zinc/62/69/90/964626990.db2.gz HSCXHMDXEKFKOW-UHFFFAOYSA-N 2 0 362.518 1.040 20 30 FDEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001191469306 968523898 /nfs/dbraw/zinc/52/38/98/968523898.db2.gz VDFPYASHKJTWAN-QRVBRYPASA-N 2 0 365.518 1.365 20 30 FDEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001191469305 968524132 /nfs/dbraw/zinc/52/41/32/968524132.db2.gz VDFPYASHKJTWAN-OTWHNJEPSA-N 2 0 365.518 1.365 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000855404833 970338858 /nfs/dbraw/zinc/33/88/58/970338858.db2.gz XPNQIAIUGMTKCJ-HXUWFJFHSA-N 2 0 355.482 1.215 20 30 FDEDRP CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O)[NH+]1CCCC1 ZINC001199128725 973931586 /nfs/dbraw/zinc/93/15/86/973931586.db2.gz SQTNRXWGFDTRBE-VAMGGRTRSA-N 2 0 370.497 1.340 20 30 FDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CCCO1 ZINC001200529150 974808938 /nfs/dbraw/zinc/80/89/38/974808938.db2.gz RMZGURCTQRIDAB-QRVBRYPASA-N 2 0 365.518 1.126 20 30 FDEDRP C[NH+]1CCN(c2cc(Nc3c(C#N)cnn3-c3ncccn3)cc[nH+]2)CC1 ZINC001201656130 975115874 /nfs/dbraw/zinc/11/58/74/975115874.db2.gz UWLQCWCDNYMRNR-UHFFFAOYSA-N 2 0 361.413 1.424 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2F)C[C@H]1C[NH+](C)C ZINC000867588598 976442479 /nfs/dbraw/zinc/44/24/79/976442479.db2.gz FOMQUNJUYAVTDH-HUUCEWRRSA-N 2 0 368.478 1.057 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000849075413 977304391 /nfs/dbraw/zinc/30/43/91/977304391.db2.gz CXBOJLOIHZDCAL-NRFANRHFSA-N 2 0 373.545 1.396 20 30 FDEDRP C[C@@H]1CC[N@H+](CCNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000849086894 977307958 /nfs/dbraw/zinc/30/79/58/977307958.db2.gz DUNMRZYQLRVYIU-HUUCEWRRSA-N 2 0 351.495 1.209 20 30 FDEDRP C[N@@H+]1CCC[C@H](CCNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000849115602 977327766 /nfs/dbraw/zinc/32/77/66/977327766.db2.gz AOIPCIYVIQQHFS-HZPDHXFCSA-N 2 0 365.522 1.599 20 30 FDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000884175945 982948339 /nfs/dbraw/zinc/94/83/39/982948339.db2.gz ODVSJHDLQHRBMQ-IDYZSHNDSA-N 2 0 352.482 1.907 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c2ccccc2O1 ZINC000884232328 983006458 /nfs/dbraw/zinc/00/64/58/983006458.db2.gz OCTWKQOCKIUCPE-QNBXZPKWSA-N 2 0 354.454 1.482 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c2ccccc2O1 ZINC000884232327 983006578 /nfs/dbraw/zinc/00/65/78/983006578.db2.gz OCTWKQOCKIUCPE-KMFGOTIKSA-N 2 0 354.454 1.482 20 30 FDEDRP C=CCC1(O)CC[NH+](CCOCC[NH+]2CCC(O)(CC=C)CC2)CC1 ZINC000886774029 986578245 /nfs/dbraw/zinc/57/82/45/986578245.db2.gz GKBVMZAEERJFHV-UHFFFAOYSA-N 2 0 352.519 1.809 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000360890813 988194835 /nfs/dbraw/zinc/19/48/35/988194835.db2.gz UBOXUCWZFGOVNS-MOPGFXCFSA-N 2 0 364.534 1.658 20 30 FDEDRP C#CC[C@@H]([NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC000362252263 988613437 /nfs/dbraw/zinc/61/34/37/988613437.db2.gz BGSXHDXUASDWCT-VQTJNVASSA-N 2 0 357.498 1.814 20 30 FDEDRP N#Cc1cc(F)ccc1N1CC[NH+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000873221826 988656869 /nfs/dbraw/zinc/65/68/69/988656869.db2.gz RINLISXWDUKQOO-OAHLLOKOSA-N 2 0 359.449 1.017 20 30 FDEDRP C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CCN1C1CC[NH+](C)CC1 ZINC000362639469 988693612 /nfs/dbraw/zinc/69/36/12/988693612.db2.gz KOUOZMGRELNGMI-KRWDZBQOSA-N 2 0 369.513 1.987 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000363398646 989164074 /nfs/dbraw/zinc/16/40/74/989164074.db2.gz MQNBVCRZAGFOMY-LJQANCHMSA-N 2 0 354.498 1.755 20 30 FDEDRP C[N@@H+]1CCC[C@H](N2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)C1 ZINC000363540292 989279937 /nfs/dbraw/zinc/27/99/37/989279937.db2.gz UTKNHWHJBDYAND-IBGZPJMESA-N 2 0 355.486 1.599 20 30 FDEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000297016325 989461487 /nfs/dbraw/zinc/46/14/87/989461487.db2.gz VUEJGIZIQBNAPM-HXUWFJFHSA-N 2 0 372.513 1.532 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000364551875 989643493 /nfs/dbraw/zinc/64/34/93/989643493.db2.gz YPUAAAVYXODEJD-UHFFFAOYSA-N 2 0 354.498 1.850 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccc(OCC#N)cc2)C[C@H]1C[NH+](C)C ZINC000875219663 991110413 /nfs/dbraw/zinc/11/04/13/991110413.db2.gz OPZWMZWPDZWMGK-QZTJIDSGSA-N 2 0 373.501 1.470 20 30 FDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000876782342 992910397 /nfs/dbraw/zinc/91/03/97/992910397.db2.gz PFAUGMKAFOOZCF-INIZCTEOSA-N 3 0 351.882 1.180 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000876954011 992980654 /nfs/dbraw/zinc/98/06/54/992980654.db2.gz AUEQVTHSWCPEFH-QUCCMNQESA-N 2 0 368.481 1.458 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000876957677 992983004 /nfs/dbraw/zinc/98/30/04/992983004.db2.gz ZBDPFVKBXJCGLD-QUCCMNQESA-N 2 0 352.482 1.983 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000877116470 993055961 /nfs/dbraw/zinc/05/59/61/993055961.db2.gz YMYQEQFEYIWPQT-AZUAARDMSA-N 2 0 368.481 1.362 20 30 FDEDRP C[NH+]1CCCN(Cc2cc(C#N)cc(CN3CCC[N@@H+](C)CC3)c2)CC1 ZINC000877934594 993561187 /nfs/dbraw/zinc/56/11/87/993561187.db2.gz DSYIWZJCNXHBHA-UHFFFAOYSA-N 2 0 355.530 1.833 20 30 FDEDRP C#CCN(C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)C1CC[NH+](C)CC1 ZINC000925918206 995825615 /nfs/dbraw/zinc/82/56/15/995825615.db2.gz KVNATIQLOAXSCP-IBGZPJMESA-N 2 0 357.502 1.813 20 30 FDEDRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000264076328 997396475 /nfs/dbraw/zinc/39/64/75/997396475.db2.gz FSZSSZYAZWBCNZ-IRXDYDNUSA-N 2 0 359.522 1.281 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(F)ccc1N1CCOCC1 ZINC000267449774 999338536 /nfs/dbraw/zinc/33/85/36/999338536.db2.gz RCXXQJNLFDBIHU-QGZVFWFLSA-N 2 0 363.481 1.551 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652147136 1016769004 /nfs/dbraw/zinc/76/90/04/1016769004.db2.gz JPGDMZPZYJUGKA-LNLFQRSKSA-N 2 0 364.534 1.955 20 30 FDEDRP C[NH+](C)CC1(O)CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000931483754 1004200357 /nfs/dbraw/zinc/20/03/57/1004200357.db2.gz HOIQEQLNVMSWNC-UHFFFAOYSA-N 2 0 364.877 1.929 20 30 FDEDRP C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001111021529 1004655960 /nfs/dbraw/zinc/65/59/60/1004655960.db2.gz XNQMFXYHUCMYNN-MANSERQUSA-N 2 0 374.529 1.250 20 30 FDEDRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(Nc3ncccc3C#N)CC2)CC[N@@H+]1C ZINC001111323787 1009616978 /nfs/dbraw/zinc/61/69/78/1009616978.db2.gz XJBWWKNWRSBCNU-CRAIPNDOSA-N 2 0 370.501 1.286 20 30 FDEDRP C[C@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000303903375 1009685222 /nfs/dbraw/zinc/68/52/22/1009685222.db2.gz UJRJRMSYMZKRFT-JKSUJKDBSA-N 2 0 367.538 1.974 20 30 FDEDRP COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000303982250 1009793127 /nfs/dbraw/zinc/79/31/27/1009793127.db2.gz QAHVVQPGLXLSCF-SFHVURJKSA-N 2 0 363.481 1.373 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1c(OC)cc(OC)cc1OC ZINC000304746166 1010476730 /nfs/dbraw/zinc/47/67/30/1010476730.db2.gz FQQHHMGYSCYDMO-CQSZACIVSA-N 2 0 364.490 1.644 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000304771494 1010490107 /nfs/dbraw/zinc/49/01/07/1010490107.db2.gz AELRDUNWEHPDRX-GOSISDBHSA-N 2 0 358.465 1.943 20 30 FDEDRP C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512288089 538970897 /nfs/dbraw/zinc/97/08/97/538970897.db2.gz YGVVPGJURQRGSZ-LAUBAEHRSA-N 2 0 370.497 1.985 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000550784022 543173628 /nfs/dbraw/zinc/17/36/28/543173628.db2.gz OPJZDMCICUVMKL-KRWDZBQOSA-N 2 0 364.534 1.381 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CC1 ZINC000553330674 543610985 /nfs/dbraw/zinc/61/09/85/543610985.db2.gz PPCUBQTUFIJNJW-MSOLQXFVSA-N 2 0 362.518 1.227 20 30 FDEDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)s1 ZINC000331213556 259181602 /nfs/dbraw/zinc/18/16/02/259181602.db2.gz AITOKDVFPQVZML-UHFFFAOYSA-N 2 0 356.517 1.266 20 30 FDEDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000368417931 260180155 /nfs/dbraw/zinc/18/01/55/260180155.db2.gz VFJXWIUXFFHSGV-LGYWMIHWSA-N 2 0 373.497 1.777 20 30 FDEDRP CC1(C[NH+]2CCOCC2)CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000378422749 262022570 /nfs/dbraw/zinc/02/25/70/262022570.db2.gz AKUHJKWSBPHMAP-IBGZPJMESA-N 2 0 373.497 1.732 20 30 FDEDRP CC[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N(C)Cc1ccc2c(c1)OCO2 ZINC000088802509 524475354 /nfs/dbraw/zinc/47/53/54/524475354.db2.gz AGOQBUAGEXMLTK-INIZCTEOSA-N 2 0 361.490 1.058 20 30 FDEDRP CN1CCN([C@H]2CCCC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000174889387 524780120 /nfs/dbraw/zinc/78/01/20/524780120.db2.gz OLUGFMUUDAVAHM-PMACEKPBSA-N 2 0 372.513 1.400 20 30 FDEDRP CCN(CCC#N)C(=O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177496269 525299694 /nfs/dbraw/zinc/29/96/94/525299694.db2.gz QZRSPMXEZQLZNI-QZTJIDSGSA-N 2 0 364.534 1.960 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000181636019 525883521 /nfs/dbraw/zinc/88/35/21/525883521.db2.gz OVHSFOMTMLONOZ-HXUWFJFHSA-N 2 0 372.513 1.703 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000181635987 525883653 /nfs/dbraw/zinc/88/36/53/525883653.db2.gz OVHSFOMTMLONOZ-FQEVSTJZSA-N 2 0 372.513 1.703 20 30 FDEDRP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)C[C@@H](C)O1 ZINC000424154054 538247719 /nfs/dbraw/zinc/24/77/19/538247719.db2.gz MBKAPAUSMSWZEA-JFIYKMOQSA-N 2 0 350.507 1.745 20 30 FDEDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489631862 538827198 /nfs/dbraw/zinc/82/71/98/538827198.db2.gz INDHWPMJXIUKPN-UHFFFAOYSA-N 2 0 368.478 1.344 20 30 FDEDRP Cc1nc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)ccc1C#N ZINC000570458874 549287645 /nfs/dbraw/zinc/28/76/45/549287645.db2.gz LUXSNWWMWQOOMS-UHFFFAOYSA-N 2 0 363.465 1.985 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000580315479 550966194 /nfs/dbraw/zinc/96/61/94/550966194.db2.gz BBFYPXRSDBCMSP-MISYRCLQSA-N 2 0 359.470 1.265 20 30 FDEDRP C[NH+]1CCC(N2CCC([NH2+]C[C@H](O)COc3ccc(C#N)cc3)CC2)CC1 ZINC000582236191 551194418 /nfs/dbraw/zinc/19/44/18/551194418.db2.gz GAXFCRAOEQPQGL-FQEVSTJZSA-N 2 0 372.513 1.446 20 30 FDEDRP N#CCc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000591741260 551905484 /nfs/dbraw/zinc/90/54/84/551905484.db2.gz DIKHERHHEBKWGS-QUCCMNQESA-N 2 0 373.497 1.583 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccsc1C#N ZINC000593539641 552126994 /nfs/dbraw/zinc/12/69/94/552126994.db2.gz DMZUTNRAUXEUQO-AWEZNQCLSA-N 2 0 370.544 1.656 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)c1 ZINC000593716124 552181205 /nfs/dbraw/zinc/18/12/05/552181205.db2.gz PVCYTTSDRHWHDK-QFBILLFUSA-N 2 0 355.486 1.949 20 30 FDEDRP C[C@H](C[NH+]1CCOCC1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593886555 552217532 /nfs/dbraw/zinc/21/75/32/552217532.db2.gz REVYAFFLTFLONS-QGZVFWFLSA-N 2 0 370.497 1.607 20 30 FDEDRP CN1CC[N@H+](CCCNC(=O)[C@@H]([NH3+])CCCCC#N)[C@H](c2ccccc2)C1 ZINC000594439714 552311088 /nfs/dbraw/zinc/31/10/88/552311088.db2.gz UNCOPWORDADFLJ-PMACEKPBSA-N 2 0 371.529 1.893 20 30 FDEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000594444676 552311848 /nfs/dbraw/zinc/31/18/48/552311848.db2.gz BIMZMMKONBQGFR-RTBURBONSA-N 2 0 358.486 1.805 20 30 FDEDRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]([NH3+])CCCCC#N)cc1F ZINC000595255720 552506199 /nfs/dbraw/zinc/50/61/99/552506199.db2.gz AQYMZRPBXYBQFG-UAGQMJEPSA-N 2 0 362.449 1.807 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC2)c1 ZINC000595272190 552509438 /nfs/dbraw/zinc/50/94/38/552509438.db2.gz YDULHQXTDMNJIA-QZTJIDSGSA-N 2 0 359.449 1.603 20 30 FDEDRP N#CC1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC2(CC2)C1 ZINC000601023438 553340548 /nfs/dbraw/zinc/34/05/48/553340548.db2.gz HUQUAPMPCSUBGO-UHFFFAOYSA-N 2 0 353.470 1.794 20 30 FDEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619828120 555841114 /nfs/dbraw/zinc/84/11/14/555841114.db2.gz MCOVTOKUXYIKJY-UHFFFAOYSA-N 2 0 351.882 1.846 20 30 FDEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCN(c2nc(CC)ns2)CC1 ZINC000261829529 672679801 /nfs/dbraw/zinc/67/98/01/672679801.db2.gz VHFCZZUAFRUKCZ-AWEZNQCLSA-N 2 0 365.551 1.140 20 30 FDEDRP C[NH+]=C(NCc1ccc(Cl)cc1Cl)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000262780901 672848809 /nfs/dbraw/zinc/84/88/09/672848809.db2.gz KUWBUQDQTOIWJA-CQSZACIVSA-N 2 0 356.301 1.658 20 30 FDEDRP CO[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)c1cccc(Cl)c1 ZINC000267393837 673299166 /nfs/dbraw/zinc/29/91/66/673299166.db2.gz DLZQYTUWUINFRY-INIZCTEOSA-N 2 0 354.882 1.654 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000303876847 676543523 /nfs/dbraw/zinc/54/35/23/676543523.db2.gz FBJFOCJLEGUCJM-LSDHHAIUSA-N 2 0 353.511 1.775 20 30 FDEDRP CC[C@@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000303874901 676543543 /nfs/dbraw/zinc/54/35/43/676543543.db2.gz DGELHIRHHNAGPN-HNNXBMFYSA-N 2 0 353.511 1.728 20 30 FDEDRP CC[C@H](C)[N@H+](C)CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000304987183 676544766 /nfs/dbraw/zinc/54/47/66/676544766.db2.gz BQPFWISESIHUBM-LSDHHAIUSA-N 2 0 353.511 1.597 20 30 FDEDRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330169707 676676561 /nfs/dbraw/zinc/67/65/61/676676561.db2.gz DIMBEDFCWARKKG-NXHRZFHOSA-N 2 0 352.523 1.742 20 30 FDEDRP C[NH+](C)[C@]1(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCSC1 ZINC000330193275 676677609 /nfs/dbraw/zinc/67/76/09/676677609.db2.gz YLTVFWJWIJMZHW-NUJGCVRESA-N 2 0 370.563 1.305 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000419571974 680280431 /nfs/dbraw/zinc/28/04/31/680280431.db2.gz PWADIGOCWQVCET-GVDBMIGSSA-N 2 0 350.507 1.187 20 30 FDEDRP COc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1C#N ZINC000971561111 777642831 /nfs/dbraw/zinc/64/28/31/777642831.db2.gz SFQSRTWGPOHAFV-ATZDWAIDSA-N 2 0 370.497 1.940 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001022104944 777951195 /nfs/dbraw/zinc/95/11/95/777951195.db2.gz HYAGRDMMDZGSCI-NKGKWGDASA-N 2 0 356.470 1.644 20 30 FDEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001104594626 788785304 /nfs/dbraw/zinc/78/53/04/788785304.db2.gz BGWGCKKXWPFBHV-IAGOWNOFSA-N 2 0 361.486 1.679 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001104599500 788832587 /nfs/dbraw/zinc/83/25/87/788832587.db2.gz SMFPDSLKCABFDP-BRWVUGGUSA-N 2 0 352.523 1.093 20 30 FDEDRP CN1CC[NH+](C[C@H]2CCCN(CC(=O)NC3(C#N)CCCCC3)C2)CC1 ZINC000378299903 793912731 /nfs/dbraw/zinc/91/27/31/793912731.db2.gz SVEDFASCLAMIIO-GOSISDBHSA-N 2 0 361.534 1.288 20 30 FDEDRP C=CC[C@]1(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CCC[NH2+]1 ZINC000662748472 803008673 /nfs/dbraw/zinc/00/86/73/803008673.db2.gz VSPRXTCCZYZMNM-OAQYLSRUSA-N 2 0 357.498 1.958 20 30 FDEDRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2)O1 ZINC001027966417 807129248 /nfs/dbraw/zinc/12/92/48/807129248.db2.gz PNIKTVJOYUIQLB-AYOQOUSVSA-N 2 0 356.470 1.358 20 30 FDEDRP N#CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1OCCN1CCOCC1 ZINC000424163696 815321434 /nfs/dbraw/zinc/32/14/34/815321434.db2.gz XXJBRLQICJYUNY-QGZVFWFLSA-N 2 0 360.458 1.035 20 30 FDEDRP C[NH+]=C(NCCn1c(C)nc2ccccc21)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261719479 810301106 /nfs/dbraw/zinc/30/11/06/810301106.db2.gz IEJRASKFEUQABY-RDTXWAMCSA-N 2 0 354.502 1.992 20 30 FDEDRP C=CCCn1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000424628151 815403798 /nfs/dbraw/zinc/40/37/98/815403798.db2.gz MLXJFDBJVKPRAN-UHFFFAOYSA-N 2 0 369.473 1.191 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000419702682 812093648 /nfs/dbraw/zinc/09/36/48/812093648.db2.gz BNYYUQLLKMGJTA-SFHVURJKSA-N 2 0 362.518 1.134 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000419737996 812162631 /nfs/dbraw/zinc/16/26/31/812162631.db2.gz YQQNAMKFURTDTG-UHFFFAOYSA-N 2 0 374.529 1.023 20 30 FDEDRP C[NH+](C)[C@@H](CNc1nc(NC[C@H](C2CC2)[NH+](C)C)ccc1C#N)C1CC1 ZINC000436397808 816477474 /nfs/dbraw/zinc/47/74/74/816477474.db2.gz ASIDLJVKWCJESP-MSOLQXFVSA-N 2 0 356.518 2.457 20 30 FDEDRP Cn1cncc1[C@H]1[C@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)CCC(=O)N1C1CC1 ZINC000329343861 824747834 /nfs/dbraw/zinc/74/78/34/824747834.db2.gz QICVAPBUJDLOQB-HDMKZQKVSA-N 2 0 374.489 1.165 20 30 FDEDRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000329529299 824854955 /nfs/dbraw/zinc/85/49/55/824854955.db2.gz VDSPQURSASXXPE-SFNKJDCFSA-N 2 0 374.533 1.886 20 30 FDEDRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000330195683 825724575 /nfs/dbraw/zinc/72/45/75/825724575.db2.gz PHXWNRJZPVITBF-CTNGQTDRSA-N 2 0 373.545 1.791 20 30 FDEDRP C#CCNC(NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)=[NH+]C ZINC000262368909 826139236 /nfs/dbraw/zinc/13/92/36/826139236.db2.gz IEOZRFKHBCMABM-UHFFFAOYSA-N 2 0 367.419 1.755 20 30 FDEDRP [NH2+]=C(NCCCN1CCOCC1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000303784701 827925496 /nfs/dbraw/zinc/92/54/96/827925496.db2.gz PQMQMRSYPOGKNF-UHFFFAOYSA-N 2 0 373.545 1.799 20 30 FDEDRP O[C@@H]1CC[C@H]2C[N@H+](CC#CC[NH+]3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700359 830424867 /nfs/dbraw/zinc/42/48/67/830424867.db2.gz NSGGCHZGCCPGOQ-WHVWYTALSA-N 2 0 360.542 1.956 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105672790 845206955 /nfs/dbraw/zinc/20/69/55/845206955.db2.gz DGPYXOGLRRXPTP-LFGUQSLTSA-N 2 0 351.535 1.869 20 30 FDEDRP CC[NH+]1CCN([C@H](C)CNC(NC[C@H]2CCCO2)=[NH+]C(C)(C)C)CC1 ZINC000912507758 859832369 /nfs/dbraw/zinc/83/23/69/859832369.db2.gz DUWDDCGCVDRQQL-IAGOWNOFSA-N 2 0 353.555 1.525 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)CC1 ZINC001089060170 866391002 /nfs/dbraw/zinc/39/10/02/866391002.db2.gz XIJZXBJEZMUQGN-UTKZUKDTSA-N 2 0 364.493 1.982 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3scnc3C)[C@@H]2C)CC1 ZINC001089060003 866391128 /nfs/dbraw/zinc/39/11/28/866391128.db2.gz MVVVEOCWCUIANQ-WBVHZDCISA-N 2 0 360.527 1.876 20 30 FDEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106249967 874131656 /nfs/dbraw/zinc/13/16/56/874131656.db2.gz VBACHIFFVQALSY-QWFCFKBJSA-N 2 0 361.530 1.727 20 30 FDEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106249849 874140114 /nfs/dbraw/zinc/14/01/14/874140114.db2.gz SQSYFLGAENQTPQ-KZNAEPCWSA-N 2 0 364.534 1.236 20 30 FDEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001106479751 875605439 /nfs/dbraw/zinc/60/54/39/875605439.db2.gz PDTZSRLRLDTJRD-RTBURBONSA-N 2 0 363.546 1.975 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000917097668 882966937 /nfs/dbraw/zinc/96/69/37/882966937.db2.gz FLJFAOIPXOSNBH-GOSISDBHSA-N 2 0 350.507 1.579 20 30 FDEDRP C=CCN1CC[C@@H]([NH+](C)CCCC[N@@H+](C)[C@@H]2CCN(CC=C)C2=O)C1=O ZINC000282112537 876961575 /nfs/dbraw/zinc/96/15/75/876961575.db2.gz XCBRHFAVDFQVEC-QZTJIDSGSA-N 2 0 362.518 1.204 20 30 FDEDRP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N ZINC000999191262 912245626 /nfs/dbraw/zinc/24/56/26/912245626.db2.gz WRHXNXPBSSJDEF-AYOQOUSVSA-N 2 0 370.497 1.988 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CC1 ZINC000919052961 885252534 /nfs/dbraw/zinc/25/25/34/885252534.db2.gz WXNFJDXDUBSMIP-IEBWSBKVSA-N 2 0 364.534 1.520 20 30 FDEDRP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@@H](n2ccnn2)C1 ZINC001129032765 885369682 /nfs/dbraw/zinc/36/96/82/885369682.db2.gz TZHMACHPQHLSKX-KURKYZTESA-N 2 0 360.506 1.460 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(CC)cc3)C[C@H]2O)CC1 ZINC001078226951 898427611 /nfs/dbraw/zinc/42/76/11/898427611.db2.gz BDJSCSQTHUAFRY-NHCUHLMSSA-N 2 0 369.509 1.256 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)c(C)c3)C[C@H]2O)CC1 ZINC001078227136 898429031 /nfs/dbraw/zinc/42/90/31/898429031.db2.gz KPBILXCRHGZBDE-NHCUHLMSSA-N 2 0 369.509 1.310 20 30 FDEDRP C=CC[NH+]1CCC2(CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079262823 902303924 /nfs/dbraw/zinc/30/39/24/902303924.db2.gz DAAFVWOPXVRWLZ-RBUKOAKNSA-N 2 0 361.530 1.844 20 30 FDEDRP COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1C#N ZINC000996605339 904381523 /nfs/dbraw/zinc/38/15/23/904381523.db2.gz DDQCRFAEKGCFOU-DNVCBOLYSA-N 2 0 370.497 1.988 20 30 FDEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)COC[C@@H](C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107552166 905551687 /nfs/dbraw/zinc/55/16/87/905551687.db2.gz HSMXDSUCSDRAKH-SFHLNBCPSA-N 2 0 361.530 1.871 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCOCC)CC3)CC1 ZINC001107643663 906220262 /nfs/dbraw/zinc/22/02/62/906220262.db2.gz QJEAQBAAQREBCN-TZIWHRDSSA-N 2 0 361.530 1.729 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3)C[C@H]2OC)CC1 ZINC001082383231 907376511 /nfs/dbraw/zinc/37/65/11/907376511.db2.gz NISMSFIZINDWPC-NHCUHLMSSA-N 2 0 369.509 1.390 20 30 FDEDRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2C)cc1C#N ZINC001082559875 908616240 /nfs/dbraw/zinc/61/62/40/908616240.db2.gz RJXCBGFRRJALFT-LXGCGDOSSA-N 2 0 370.497 1.844 20 30 FDEDRP C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)C1=O ZINC001082941693 911033329 /nfs/dbraw/zinc/03/33/29/911033329.db2.gz HNCJWWWHQRUHGV-KZNAEPCWSA-N 2 0 362.518 1.086 20 30 FDEDRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084775735 917000212 /nfs/dbraw/zinc/00/02/12/917000212.db2.gz RZIIULOEWZOENB-XUVXKRRUSA-N 2 0 352.482 1.933 20 30 FDEDRP COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001112551522 931467866 /nfs/dbraw/zinc/46/78/66/931467866.db2.gz DWSLAJYPAMWNFK-FPOVZHCZSA-N 2 0 361.530 1.586 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+](CC)CC)C2 ZINC001112548548 931472518 /nfs/dbraw/zinc/47/25/18/931472518.db2.gz FRVCLKCRTXFETB-UWVAXJGDSA-N 2 0 364.534 1.237 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1n1ccnn1 ZINC001129925029 938570657 /nfs/dbraw/zinc/57/06/57/938570657.db2.gz QEXASJCUSSXKJR-SJORKVTESA-N 2 0 358.490 1.214 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]cn2)C[C@@H]1n1ccnn1 ZINC001130033716 938634228 /nfs/dbraw/zinc/63/42/28/938634228.db2.gz BNXWYQZOTLCFRE-UAGQMJEPSA-N 2 0 357.462 1.188 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130736412 940037387 /nfs/dbraw/zinc/03/73/87/940037387.db2.gz DLPKPIAWOGCLKX-AZUAARDMSA-N 2 0 371.529 1.594 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001131017795 940438515 /nfs/dbraw/zinc/43/85/15/940438515.db2.gz LYYAEPZAKUCFEI-KURKYZTESA-N 2 0 359.518 1.755 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1c1cncn1C ZINC001131038304 940466486 /nfs/dbraw/zinc/46/64/86/940466486.db2.gz KTROGIICHXSCSN-RTBURBONSA-N 2 0 371.529 1.592 20 30 FDEDRP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000823650355 945889105 /nfs/dbraw/zinc/88/91/05/945889105.db2.gz ZKDKXNAJPPPBJF-VQTJNVASSA-N 2 0 354.498 1.857 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1ccc(OC)cc1 ZINC001090884433 947643148 /nfs/dbraw/zinc/64/31/48/947643148.db2.gz QLYMTYALNQLVIP-RBUKOAKNSA-N 2 0 355.482 1.861 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccs3)C2)CC1 ZINC001086882218 952913968 /nfs/dbraw/zinc/91/39/68/952913968.db2.gz GZAYAAOQVTWNEQ-DOTOQJQBSA-N 2 0 360.527 1.863 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1c1cnn(C)c1 ZINC001086985300 953002321 /nfs/dbraw/zinc/00/23/21/953002321.db2.gz CHNDGAJQQKGDLW-RBUKOAKNSA-N 2 0 362.437 1.207 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4cc(C)no4)C[C@@]3(C)C2)CC1 ZINC001092300239 954749206 /nfs/dbraw/zinc/74/92/06/954749206.db2.gz SQDPDRZUEUFZMW-NQIIRXRSSA-N 2 0 370.497 1.609 20 30 FDEDRP C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092504033 955275879 /nfs/dbraw/zinc/27/58/79/955275879.db2.gz HJTKMOXBFOMCMO-POAQFYNOSA-N 2 0 357.473 1.956 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092504265 955275994 /nfs/dbraw/zinc/27/59/94/955275994.db2.gz JWLJYUXTLBKXFW-LSBZLQRGSA-N 2 0 358.461 1.976 20 30 FDEDRP C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093193856 957752434 /nfs/dbraw/zinc/75/24/34/957752434.db2.gz OHSMHNZXCLZOPK-BHIYHBOVSA-N 2 0 357.473 1.813 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093193952 957753489 /nfs/dbraw/zinc/75/34/89/957753489.db2.gz QYTPIQWSCGNSFJ-UWWQBHOKSA-N 2 0 358.461 1.833 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@H]2C(C)C)C[C@H]1O ZINC001093465562 958203552 /nfs/dbraw/zinc/20/35/52/958203552.db2.gz KNJUOYMJXUCBLY-REHHDOPLSA-N 2 0 361.530 1.318 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001094219069 960035431 /nfs/dbraw/zinc/03/54/31/960035431.db2.gz CHBQCTBLWGZTSZ-FHLIZLRMSA-N 2 0 358.461 1.833 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3ocnc3C)[C@H](C)C2)CC1 ZINC001094240407 960159426 /nfs/dbraw/zinc/15/94/26/960159426.db2.gz XHWRMWKQZWRGMH-CRAIPNDOSA-N 2 0 358.486 1.512 20 30 FDEDRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](C3CCC(C)(C#N)CC3)CC[C@@H]2C1 ZINC001173594659 962469775 /nfs/dbraw/zinc/46/97/75/962469775.db2.gz JIEBWQURVGGHQU-BOHSKOPMSA-N 2 0 362.518 1.570 20 30 FDEDRP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190319181 967732372 /nfs/dbraw/zinc/73/23/72/967732372.db2.gz YHFJLXJQPQFLOK-OKZBNKHCSA-N 2 0 362.518 1.086 20 30 FDEDRP C=C(C)C(=O)NCCCNC(=O)c1ccc(CN(C)CCC[NH+](C)C)cc1 ZINC001198031390 972709867 /nfs/dbraw/zinc/70/98/67/972709867.db2.gz TTZYILBVDHDJHX-UHFFFAOYSA-N 2 0 374.529 1.882 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(c2ncc(Br)cc2C#N)C[C@H]1C[NH+](C)C ZINC000866010841 974619767 /nfs/dbraw/zinc/61/97/67/974619767.db2.gz OYSGZBKNPJJJIZ-ZIAGYGMSSA-N 2 0 366.307 1.891 20 30 FDEDRP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000848394172 976715510 /nfs/dbraw/zinc/71/55/10/976715510.db2.gz HQTAWNFGLMPNFW-HOCLYGCPSA-N 2 0 358.442 1.945 20 30 FDEDRP C[NH+](C)CCOc1cccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c1 ZINC000884185896 982961401 /nfs/dbraw/zinc/96/14/01/982961401.db2.gz KVYBUTLQXBRDNV-GNZRSQJKSA-N 2 0 356.470 1.383 20 30 FDEDRP Cc1ccc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C#N)c1 ZINC000872509993 987733391 /nfs/dbraw/zinc/73/33/91/987733391.db2.gz DVZSHVLJFOZQJZ-IAGOWNOFSA-N 2 0 364.515 1.227 20 30 FDEDRP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000293345134 988042825 /nfs/dbraw/zinc/04/28/25/988042825.db2.gz KKIQIQOJJFVVMQ-UHFFFAOYSA-N 2 0 370.497 1.335 20 30 FDEDRP C#CC[C@H]([NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC000362252262 988612976 /nfs/dbraw/zinc/61/29/76/988612976.db2.gz BGSXHDXUASDWCT-UXHICEINSA-N 2 0 357.498 1.814 20 30 FDEDRP C=CCNC(=O)NC(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000370649256 989917959 /nfs/dbraw/zinc/91/79/59/989917959.db2.gz CUZGKMQFHUXXQL-UHFFFAOYSA-N 2 0 370.497 1.986 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2F)C[C@H]1C[NH+](C)C ZINC000875247432 991188040 /nfs/dbraw/zinc/18/80/40/991188040.db2.gz XOEKFPCSBOWIFK-IAGOWNOFSA-N 2 0 361.465 1.578 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000876918486 992966437 /nfs/dbraw/zinc/96/64/37/992966437.db2.gz ITBRBEBZIGGRIZ-AABGKKOBSA-N 2 0 368.481 1.490 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000876946066 992978058 /nfs/dbraw/zinc/97/80/58/992978058.db2.gz FRRLEMNGZIMYNG-ZULIPRJHSA-N 2 0 368.481 1.490 20 30 FDEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOc1ccccc1 ZINC001095556381 993441747 /nfs/dbraw/zinc/44/17/47/993441747.db2.gz OSNDRDDKAIBPQP-HZEGPAAWSA-N 2 0 367.493 1.885 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)C(C)C ZINC000264397842 997494207 /nfs/dbraw/zinc/49/42/07/997494207.db2.gz LOABVXDNCKRABQ-RBUKOAKNSA-N 2 0 365.566 1.620 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H](C)CN1CC[NH+](C)CC1)C(C)C ZINC000264397843 997494681 /nfs/dbraw/zinc/49/46/81/997494681.db2.gz LOABVXDNCKRABQ-RTBURBONSA-N 2 0 365.566 1.620 20 30 FDEDRP C=CCCOCCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000270415004 999555827 /nfs/dbraw/zinc/55/58/27/999555827.db2.gz MAFIVHVUIRAODE-UHFFFAOYSA-N 2 0 361.490 1.486 20 30 FDEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000303771676 1009574993 /nfs/dbraw/zinc/57/49/93/1009574993.db2.gz CVCQIBDYVDISJN-QGZVFWFLSA-N 2 0 363.506 1.702 20 30 FDEDRP CC(C)[C@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000303785716 1009582845 /nfs/dbraw/zinc/58/28/45/1009582845.db2.gz QQKTWWSEEVDUPS-INIZCTEOSA-N 2 0 367.538 1.974 20 30 FDEDRP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)CC1 ZINC000303869558 1009644937 /nfs/dbraw/zinc/64/49/37/1009644937.db2.gz DWJXBYWVPMYOCR-HNNXBMFYSA-N 2 0 363.506 1.704 20 30 FDEDRP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)C[NH+]1CCN(C)CC1 ZINC000303897393 1009681956 /nfs/dbraw/zinc/68/19/56/1009681956.db2.gz VAXKENTYLNQPOT-HNNXBMFYSA-N 2 0 361.490 1.458 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000304697749 1010444210 /nfs/dbraw/zinc/44/42/10/1010444210.db2.gz IVFLEJNJTUTPQP-QGZVFWFLSA-N 2 0 361.534 1.613 20 30 FDEDRP C[N@@H+]1CCC[C@@]2(CCN(CC#CCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000528512725 539764780 /nfs/dbraw/zinc/76/47/80/539764780.db2.gz MXJHKOAHMCCNNN-OAQYLSRUSA-N 2 0 351.450 1.704 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000529304466 539817492 /nfs/dbraw/zinc/81/74/92/539817492.db2.gz FGSAWBMVFRSWIM-GOSISDBHSA-N 2 0 350.507 1.437 20 30 FDEDRP CN1CCN(C(=O)CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000286186128 183008344 /nfs/dbraw/zinc/00/83/44/183008344.db2.gz RATSCJYNWZWVCT-UHFFFAOYSA-N 2 0 355.486 1.281 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000550910748 543198548 /nfs/dbraw/zinc/19/85/48/543198548.db2.gz UIZAWNYIOASGCG-UHFFFAOYSA-N 2 0 362.518 1.134 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)C(C)C ZINC000559389723 544669863 /nfs/dbraw/zinc/66/98/63/544669863.db2.gz XEXUMVLTYUJSPY-KRWDZBQOSA-N 2 0 350.507 1.012 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000051957059 523097511 /nfs/dbraw/zinc/09/75/11/523097511.db2.gz QVRFSWDIQUMMRE-LJQANCHMSA-N 2 0 359.470 1.342 20 30 FDEDRP C[NH+]=C(NCc1cn(C)nc1C(F)(F)F)NC1CC[NH+](C2CC2)CC1 ZINC000162197670 525225487 /nfs/dbraw/zinc/22/54/87/525225487.db2.gz PDCMQIWSAFQTKG-UHFFFAOYSA-N 2 0 358.412 1.731 20 30 FDEDRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000177727278 525335555 /nfs/dbraw/zinc/33/55/55/525335555.db2.gz VNJXNCKOVJMTKW-UHFFFAOYSA-N 2 0 358.486 1.717 20 30 FDEDRP CC[NH+]1CCN([C@H]2CC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)CC1 ZINC000118834538 525553721 /nfs/dbraw/zinc/55/37/21/525553721.db2.gz XFUNQKHKUQHMAC-SFHVURJKSA-N 2 0 355.486 1.599 20 30 FDEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000154558546 525572221 /nfs/dbraw/zinc/57/22/21/525572221.db2.gz SPLVZVOMQJEORM-SFHVURJKSA-N 2 0 360.527 1.886 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCCC[NH+]2CCN(CC)CC2)CC1 ZINC000106263940 525683958 /nfs/dbraw/zinc/68/39/58/525683958.db2.gz DXTAKWSMTBTHQM-UHFFFAOYSA-N 2 0 365.566 1.744 20 30 FDEDRP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107370983 525877937 /nfs/dbraw/zinc/87/79/37/525877937.db2.gz SZYJWKZYSHDZRP-SFTDATJTSA-N 2 0 373.541 1.867 20 30 FDEDRP C=CCNC(=O)NC(=O)[C@@H](C)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266612790 536909432 /nfs/dbraw/zinc/90/94/32/536909432.db2.gz INCBSRRBPDGNIT-SJLPKXTDSA-N 2 0 358.486 1.841 20 30 FDEDRP [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000266995242 536945911 /nfs/dbraw/zinc/94/59/11/536945911.db2.gz XFBLSAUMBHPMNF-HNNXBMFYSA-N 2 0 358.408 1.957 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)C(C)C ZINC000236670915 537594580 /nfs/dbraw/zinc/59/45/80/537594580.db2.gz VGCIHINTQVFUIN-SFHVURJKSA-N 2 0 360.506 1.631 20 30 FDEDRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000330225663 537651687 /nfs/dbraw/zinc/65/16/87/537651687.db2.gz OHHLUMYKQFVYAS-KURKYZTESA-N 2 0 350.507 1.448 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)C(C)C ZINC000417073525 537997462 /nfs/dbraw/zinc/99/74/62/537997462.db2.gz YAQUHXLBRBXWEG-MOPGFXCFSA-N 2 0 363.550 1.374 20 30 FDEDRP Cc1cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)ccc1C[NH+](C)C ZINC000411392135 538069993 /nfs/dbraw/zinc/06/99/93/538069993.db2.gz SRMFKJAGYHJJDN-UHFFFAOYSA-N 2 0 373.501 1.689 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)C(C)C ZINC000424125901 538242273 /nfs/dbraw/zinc/24/22/73/538242273.db2.gz AWTJNKBLTJHGRF-AEFFLSMTSA-N 2 0 360.506 1.631 20 30 FDEDRP C[NH+](C)CCOCCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000471645042 538529998 /nfs/dbraw/zinc/52/99/98/538529998.db2.gz DFNAZNWTUHODMX-UHFFFAOYSA-N 2 0 373.501 1.354 20 30 FDEDRP CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000563012716 546354676 /nfs/dbraw/zinc/35/46/76/546354676.db2.gz VLIBWDBYTYNKPL-GOSISDBHSA-N 2 0 360.502 1.456 20 30 FDEDRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000566197302 547654429 /nfs/dbraw/zinc/65/44/29/547654429.db2.gz UYDLKRNUKUYXGR-IBGZPJMESA-N 2 0 363.550 1.662 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000568511529 548567818 /nfs/dbraw/zinc/56/78/18/548567818.db2.gz OJTLDBSVQIOQIJ-IBGZPJMESA-N 2 0 370.497 1.228 20 30 FDEDRP CN(C(=O)c1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000592167998 551952721 /nfs/dbraw/zinc/95/27/21/551952721.db2.gz SAGKFZYHGCTTGJ-MSOLQXFVSA-N 2 0 371.485 1.812 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)CC2)c1 ZINC000593722595 552182880 /nfs/dbraw/zinc/18/28/80/552182880.db2.gz XHRMWRGMXGVDTP-ICSRJNTNSA-N 2 0 367.497 1.916 20 30 FDEDRP COC[C@@]1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[NH2+]C1 ZINC000593918964 552225450 /nfs/dbraw/zinc/22/54/50/552225450.db2.gz MOPNVUYVOULDMD-HXUWFJFHSA-N 2 0 356.470 1.265 20 30 FDEDRP C[NH+](C)CCn1c2cc(NC(=O)[C@@H]([NH3+])CCCCC#N)ccc2oc1=O ZINC000594436306 552309667 /nfs/dbraw/zinc/30/96/67/552309667.db2.gz CZEVKIHNHBHUDE-AWEZNQCLSA-N 2 0 359.430 1.506 20 30 FDEDRP C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000594804277 552391443 /nfs/dbraw/zinc/39/14/43/552391443.db2.gz VPTWXVGCTXTLSO-AWEZNQCLSA-N 2 0 370.494 1.389 20 30 FDEDRP Cc1cc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c(C#N)c(N2C[C@@H]3CC[NH+](C)[C@@H]3C2)n1 ZINC000596262164 552669275 /nfs/dbraw/zinc/66/92/75/552669275.db2.gz AWQSXZXEENSOLC-GIYDNNGJSA-N 2 0 366.513 1.542 20 30 FDEDRP N#CC1(C[C@H](O)C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000600722910 553307207 /nfs/dbraw/zinc/30/72/07/553307207.db2.gz RXHWTZHPFZJYQN-OALUTQOASA-N 2 0 370.497 1.528 20 30 FDEDRP C[C@@]1(C#N)CCCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000612117429 554736591 /nfs/dbraw/zinc/73/65/91/554736591.db2.gz NHUIPKHQKBGOIZ-FQEVSTJZSA-N 2 0 370.501 1.929 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)C(C)C ZINC000621844700 556169069 /nfs/dbraw/zinc/16/90/69/556169069.db2.gz VPXYSDBBSJVJBR-MBOZVWFJSA-N 2 0 362.518 1.141 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)C(C)C ZINC000627371378 557375247 /nfs/dbraw/zinc/37/52/47/557375247.db2.gz COLFGJDCBGIYCJ-IXDOHACOSA-N 2 0 350.507 1.058 20 30 FDEDRP C[N@@H+]1CCC[C@H](CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000089120865 671492070 /nfs/dbraw/zinc/49/20/70/671492070.db2.gz JPPHHTLIJGZIBB-CABCVRRESA-N 2 0 351.495 1.209 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NCCC[NH+]2CCC(C)CC2)CC1 ZINC000104157361 671594386 /nfs/dbraw/zinc/59/43/86/671594386.db2.gz FNALGFLRTSGSLT-UHFFFAOYSA-N 2 0 353.511 1.634 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000104181372 671595057 /nfs/dbraw/zinc/59/50/57/671595057.db2.gz UYEAOYWIFCYWFZ-HNNXBMFYSA-N 2 0 353.511 1.632 20 30 FDEDRP CC[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N(C)Cc1cc(Cl)cn1C ZINC000262023073 672713568 /nfs/dbraw/zinc/71/35/68/672713568.db2.gz ZEFHDWFTYGBYGW-INIZCTEOSA-N 2 0 354.930 1.322 20 30 FDEDRP COc1ccc(NC(=[NH2+])NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1OC ZINC000303787824 676543172 /nfs/dbraw/zinc/54/31/72/676543172.db2.gz SWXHFUFGFHFUIQ-HNNXBMFYSA-N 2 0 350.463 1.787 20 30 FDEDRP COc1ccc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1Cl ZINC000303880591 676543450 /nfs/dbraw/zinc/54/34/50/676543450.db2.gz KIBHMLASJUISTF-CYBMUJFWSA-N 2 0 353.898 1.959 20 30 FDEDRP CC[C@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000303874902 676543526 /nfs/dbraw/zinc/54/35/26/676543526.db2.gz DGELHIRHHNAGPN-OAHLLOKOSA-N 2 0 353.511 1.728 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1csc(N2CCCC2)n1 ZINC000304756542 676544442 /nfs/dbraw/zinc/54/44/42/676544442.db2.gz NTGJTTCJVIGRNR-HNNXBMFYSA-N 2 0 350.536 1.674 20 30 FDEDRP C[C@H](C[NH+]1CCOCC1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000329311089 676632584 /nfs/dbraw/zinc/63/25/84/676632584.db2.gz CMTUCRHRPQTNDY-KBAYOESNSA-N 2 0 353.507 1.679 20 30 FDEDRP CC[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@@H+]1C[C@H](C)O ZINC000329759837 676653422 /nfs/dbraw/zinc/65/34/22/676653422.db2.gz PJXZMCLBWPNTEN-RZBXZUARSA-N 2 0 352.523 1.693 20 30 FDEDRP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC[N@@H+]1C ZINC000329805282 676657889 /nfs/dbraw/zinc/65/78/89/676657889.db2.gz MWQPEWBUWAWILW-NVXWUHKLSA-N 2 0 351.539 1.531 20 30 FDEDRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330215624 676679089 /nfs/dbraw/zinc/67/90/89/676679089.db2.gz HEKXZVREUIDGNI-JQHSSLGASA-N 2 0 352.523 1.552 20 30 FDEDRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000499534783 687964202 /nfs/dbraw/zinc/96/42/02/687964202.db2.gz XLRWJHZLJSIOQH-UHFFFAOYSA-N 2 0 350.507 1.477 20 30 FDEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001112481071 771864877 /nfs/dbraw/zinc/86/48/77/771864877.db2.gz CTLZLDUBUVOIAG-KBGGIIEESA-N 2 0 357.498 1.091 20 30 FDEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001112481489 771915996 /nfs/dbraw/zinc/91/59/96/771915996.db2.gz OMXOTNCIIUEYPA-UJRDFLTJSA-N 2 0 359.514 1.644 20 30 FDEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1COCCN1CC1CCC1)C2 ZINC001112493034 773747271 /nfs/dbraw/zinc/74/72/71/773747271.db2.gz MSHGIKHVRADJBT-ZVDOUQERSA-N 2 0 361.530 1.892 20 30 FDEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001104388381 780252756 /nfs/dbraw/zinc/25/27/56/780252756.db2.gz VADHSZRKASJNKL-SJLPKXTDSA-N 2 0 354.454 1.672 20 30 FDEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001104682473 789384148 /nfs/dbraw/zinc/38/41/48/789384148.db2.gz SEWJNZLKRPMIOU-IAGOWNOFSA-N 2 0 366.550 1.341 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000892851368 791454187 /nfs/dbraw/zinc/45/41/87/791454187.db2.gz ILSBRQITXXDYPV-MSOLQXFVSA-N 2 0 350.507 1.268 20 30 FDEDRP C=C(C)[C@H]1OCC[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000278822085 793483834 /nfs/dbraw/zinc/48/38/34/793483834.db2.gz YCZMNHUXFXTFHI-RTBURBONSA-N 2 0 358.486 1.691 20 30 FDEDRP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4ccc(C#N)c(F)c4)C[C@H]32)CC[N@@H+]1C ZINC000978178845 805257920 /nfs/dbraw/zinc/25/79/20/805257920.db2.gz JQVQSXHVMZMEAL-PYJZQUQOSA-N 2 0 370.472 1.832 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000279395800 808969890 /nfs/dbraw/zinc/96/98/90/808969890.db2.gz HGOOWNOTXHVGCX-OYRHEFFESA-N 2 0 351.494 1.922 20 30 FDEDRP C=C(CC)CNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000418888820 809297762 /nfs/dbraw/zinc/29/77/62/809297762.db2.gz PHYDWGONUXYYSP-UHFFFAOYSA-N 2 0 358.486 1.179 20 30 FDEDRP C[NH+]=C(NCC(=O)N1CCc2ccccc21)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261933312 811347169 /nfs/dbraw/zinc/34/71/69/811347169.db2.gz BWBPBAXNIZFAAY-WMLDXEAASA-N 2 0 355.486 1.223 20 30 FDEDRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)O1 ZINC001028628835 811655910 /nfs/dbraw/zinc/65/59/10/811655910.db2.gz AJMXTIJECZPEDV-ATZDWAIDSA-N 2 0 356.470 1.215 20 30 FDEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001087969478 824260023 /nfs/dbraw/zinc/26/00/23/824260023.db2.gz XLMDYJBMRGBRSM-WCIQWLHISA-N 2 0 361.530 1.700 20 30 FDEDRP C[N@@H+]1CC[C@]2(CCN(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)C2)C1 ZINC000330212826 825736598 /nfs/dbraw/zinc/73/65/98/825736598.db2.gz KMFYOFOATJPYFF-GGPKGHCWSA-N 2 0 364.534 1.696 20 30 FDEDRP C#Cc1cccc(NC(=O)CNC(=[NH+]C)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000262470982 827154637 /nfs/dbraw/zinc/15/46/37/827154637.db2.gz OXCMAWXGHDFZQD-LJQANCHMSA-N 2 0 367.497 1.742 20 30 FDEDRP C=CCN1CC[C@@H]([NH+](C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC000985443167 827860996 /nfs/dbraw/zinc/86/09/96/827860996.db2.gz VSDGHFSJDXCTGW-KBAYOESNSA-N 2 0 362.518 1.036 20 30 FDEDRP C[N@@H+]1CCC[C@@H]2CN(CC#CCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000528406550 829389646 /nfs/dbraw/zinc/38/96/46/829389646.db2.gz ONNAMEJBBWOKTC-VQIMIIECSA-N 2 0 351.450 1.702 20 30 FDEDRP CC[NH+]1CCC(NC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)CC1 ZINC000528782754 829560926 /nfs/dbraw/zinc/56/09/26/829560926.db2.gz LGHFSRLGPQWNFE-UHFFFAOYSA-N 2 0 370.497 1.754 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000264089896 838510168 /nfs/dbraw/zinc/51/01/68/838510168.db2.gz KPTOUOJGRWOTMJ-PXNSSMCTSA-N 2 0 373.545 1.796 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105658462 842502674 /nfs/dbraw/zinc/50/26/74/842502674.db2.gz HEWSBSUNYDSTCD-HNBVOPMISA-N 2 0 351.535 1.870 20 30 FDEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105660416 842541173 /nfs/dbraw/zinc/54/11/73/842541173.db2.gz UXPGVBKILCVWID-LMSBXDPUSA-N 2 0 357.926 1.657 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C(C)C)C[C@H]1O ZINC001105666483 843193226 /nfs/dbraw/zinc/19/32/26/843193226.db2.gz GBZGRPMXMQYWST-IKVWTGGYSA-N 2 0 359.514 1.072 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cn(C)nc4C)C[C@H]32)CC1 ZINC001076604434 848552839 /nfs/dbraw/zinc/55/28/39/848552839.db2.gz FJJMQXTUKDSMCW-AZUAARDMSA-N 2 0 369.513 1.106 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000332985852 848639821 /nfs/dbraw/zinc/63/98/21/848639821.db2.gz VIMFMUKPHPYRML-RBUKOAKNSA-N 2 0 364.534 1.704 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1 ZINC000907583423 854404661 /nfs/dbraw/zinc/40/46/61/854404661.db2.gz MJBZLPUSYRKART-UHFFFAOYSA-N 2 0 358.486 1.797 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000668835732 857452942 /nfs/dbraw/zinc/45/29/42/857452942.db2.gz ISROOENMOALMPU-KRWDZBQOSA-N 2 0 364.534 1.380 20 30 FDEDRP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000669032916 860835897 /nfs/dbraw/zinc/83/58/97/860835897.db2.gz BDCXNBRHKGIGMS-KURKYZTESA-N 2 0 372.517 1.673 20 30 FDEDRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001106878417 881869782 /nfs/dbraw/zinc/86/97/82/881869782.db2.gz PSFAWQZNCQTELN-VQIMIIECSA-N 2 0 358.486 1.321 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(CC(=C)Br)[C@@H]2C)CC1 ZINC001089059815 866388649 /nfs/dbraw/zinc/38/86/49/866388649.db2.gz CUEOJKPIHQTSLE-ZBFHGGJFSA-N 2 0 368.319 1.819 20 30 FDEDRP C#CCN(C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)C1CC[NH+](C)CC1 ZINC000914298831 872228603 /nfs/dbraw/zinc/22/86/03/872228603.db2.gz HEHITUAFDRSMGZ-LJQANCHMSA-N 2 0 356.514 1.898 20 30 FDEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001106571423 875985235 /nfs/dbraw/zinc/98/52/35/875985235.db2.gz ZWKWDCGMAQKMDU-FGTMMUONSA-N 2 0 364.534 1.095 20 30 FDEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001106570914 875998995 /nfs/dbraw/zinc/99/89/95/875998995.db2.gz FJOAREAMPGZXQH-GUDVDZBRSA-N 2 0 351.535 1.995 20 30 FDEDRP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106623209 876253937 /nfs/dbraw/zinc/25/39/37/876253937.db2.gz MMCQDBJFEBEIHR-KZNAEPCWSA-N 2 0 366.550 1.435 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(OCC(F)(F)F)nc1 ZINC000187048805 887584741 /nfs/dbraw/zinc/58/47/41/887584741.db2.gz DYFNTZVISYYPDQ-CQSZACIVSA-N 2 0 373.423 1.954 20 30 FDEDRP C[C@](CO)([NH2+]CC#CC[NH2+][C@](C)(CO)c1ccccc1)c1ccccc1 ZINC000671241266 899703364 /nfs/dbraw/zinc/70/33/64/899703364.db2.gz OFJVADSSOPJKTA-FGZHOGPDSA-N 2 0 352.478 1.984 20 30 FDEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001107037495 900018227 /nfs/dbraw/zinc/01/82/27/900018227.db2.gz MFQVYCYKYXBDDQ-GUDVDZBRSA-N 2 0 351.535 1.994 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC#C)CC2)C[C@H]1c1cccc(F)c1 ZINC001079211128 902149498 /nfs/dbraw/zinc/14/94/98/902149498.db2.gz RWISPHOSSURZCB-LEWJYISDSA-N 2 0 367.468 1.688 20 30 FDEDRP CC#CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079246245 902258144 /nfs/dbraw/zinc/25/81/44/902258144.db2.gz XZVWITLNBWEDOA-RBUKOAKNSA-N 2 0 359.514 1.433 20 30 FDEDRP C#CCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079270357 902330097 /nfs/dbraw/zinc/33/00/97/902330097.db2.gz ODXHHUXLQGJBDU-GBESFXJTSA-N 2 0 359.514 1.291 20 30 FDEDRP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107402284 904737901 /nfs/dbraw/zinc/73/79/01/904737901.db2.gz KHSHTFVMPUFFNZ-SFHLNBCPSA-N 2 0 361.530 1.870 20 30 FDEDRP C=CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@@H+](C)CC)CCC[C@@H]12 ZINC001107457209 905021505 /nfs/dbraw/zinc/02/15/05/905021505.db2.gz JWEZYLIJUBCXIL-OXQOHEQNSA-N 2 0 364.534 1.380 20 30 FDEDRP C=CC[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001127888129 907483408 /nfs/dbraw/zinc/48/34/08/907483408.db2.gz GSYJXRKPIJPVJL-BPQIPLTHSA-N 2 0 358.486 1.677 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000921535240 907650823 /nfs/dbraw/zinc/65/08/23/907650823.db2.gz ZWFTXZJYQWIANA-OALUTQOASA-N 2 0 362.518 1.151 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4ncccc4C)C[C@H]32)CC1 ZINC001084851010 917657114 /nfs/dbraw/zinc/65/71/14/917657114.db2.gz IXXNDJNHFFNGQJ-TZIWHRDSSA-N 2 0 366.509 1.768 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCn2cccn2)CC1 ZINC001085431575 924669033 /nfs/dbraw/zinc/66/90/33/924669033.db2.gz KAXIPPFOXWOLBQ-RTBURBONSA-N 2 0 357.502 1.245 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccn(CC)n2)CC1 ZINC001085432939 924681109 /nfs/dbraw/zinc/68/11/09/924681109.db2.gz YAQKQCJNKQJOBO-WOJBJXKFSA-N 2 0 371.529 1.765 20 30 FDEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001112579635 931742780 /nfs/dbraw/zinc/74/27/80/931742780.db2.gz ZOMZSOKKWKOFHZ-AYBZRNKSSA-N 2 0 369.937 1.926 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC#CCOC)C2)CC1 ZINC001112584532 931783610 /nfs/dbraw/zinc/78/36/10/931783610.db2.gz WOLARCJZFJDAAB-UNMCSNQZSA-N 2 0 371.525 1.200 20 30 FDEDRP C[NH+](C)CC#CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC001170994155 945105995 /nfs/dbraw/zinc/10/59/95/945105995.db2.gz WTVJOQKOPHAPNJ-CTNGQTDRSA-N 2 0 355.482 1.206 20 30 FDEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129453782 938421028 /nfs/dbraw/zinc/42/10/28/938421028.db2.gz JFMGSOYEWHPVEO-MSOLQXFVSA-N 2 0 360.506 1.462 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130137097 938710040 /nfs/dbraw/zinc/71/00/40/938710040.db2.gz IQEKELGHLOTNCB-MOPGFXCFSA-N 2 0 368.485 1.571 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1c1cn(C)cn1 ZINC001130633085 939936532 /nfs/dbraw/zinc/93/65/32/939936532.db2.gz ZSJYSRCLEPZBHB-DOTOQJQBSA-N 2 0 356.474 1.247 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130659866 939965846 /nfs/dbraw/zinc/96/58/46/939965846.db2.gz XVUKKPUQEDSDEN-PKOBYXMFSA-N 2 0 359.518 1.612 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCCCCC)C[C@H]1c1cn(C)cn1 ZINC001130698846 939992744 /nfs/dbraw/zinc/99/27/44/939992744.db2.gz VFMAIGLHDNSOKC-PKOBYXMFSA-N 2 0 359.518 1.449 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1c1cncn1C ZINC001131003502 940429691 /nfs/dbraw/zinc/42/96/91/940429691.db2.gz HLSGVMMUYIKPQY-BZUAXINKSA-N 2 0 351.470 1.170 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1cncn1C ZINC001131062082 940479817 /nfs/dbraw/zinc/47/98/17/940479817.db2.gz UYRLXFOVKTTXAX-QZTJIDSGSA-N 2 0 359.518 1.612 20 30 FDEDRP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001131502618 940653247 /nfs/dbraw/zinc/65/32/47/940653247.db2.gz GZLJGQOZZWUMOC-AQNXPRMDSA-N 2 0 361.530 1.868 20 30 FDEDRP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001131510720 940660355 /nfs/dbraw/zinc/66/03/55/940660355.db2.gz ZGRMLXCCSCFGHJ-KURKYZTESA-N 2 0 355.498 1.838 20 30 FDEDRP C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001131519115 940687711 /nfs/dbraw/zinc/68/77/11/940687711.db2.gz GBCFBEWYLFAHOZ-QRVBRYPASA-N 2 0 367.534 1.515 20 30 FDEDRP C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001131555485 940730601 /nfs/dbraw/zinc/73/06/01/940730601.db2.gz IFBMVQYMCZCQEI-QUCCMNQESA-N 2 0 367.534 1.517 20 30 FDEDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]([NH3+])CCCC#N)CC2)cc1 ZINC000844190586 947826341 /nfs/dbraw/zinc/82/63/41/947826341.db2.gz CGHUYWQTLIJFGX-IBGZPJMESA-N 2 0 373.501 1.345 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nncs3)C2)CC1 ZINC001086882354 952913941 /nfs/dbraw/zinc/91/39/41/952913941.db2.gz NJOSLJJUQDUYGE-GOEBONIOSA-N 2 0 361.515 1.258 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccn(CC)n3)C2)CC1 ZINC001086882389 952914324 /nfs/dbraw/zinc/91/43/24/952914324.db2.gz PBQCJXKWNNHLST-PKOBYXMFSA-N 2 0 371.529 1.623 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3cnn(C)c3)C2)CC1 ZINC001086882519 952914410 /nfs/dbraw/zinc/91/44/10/952914410.db2.gz UQNOOHZTPNJRNM-FXAWDEMLSA-N 2 0 371.529 1.182 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1c1cnn(C)c1 ZINC001086986272 953005882 /nfs/dbraw/zinc/00/58/82/953005882.db2.gz GDGUAFOUTVDASP-ZWKOTPCHSA-N 2 0 350.426 1.452 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092504731 955277521 /nfs/dbraw/zinc/27/75/21/955277521.db2.gz XWYFZZRSYHHVFF-YVWKXTFCSA-N 2 0 370.497 1.867 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093193846 957752240 /nfs/dbraw/zinc/75/22/40/957752240.db2.gz NMRNEFADKAHWHR-NZSAHSFTSA-N 2 0 370.497 1.725 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093195000 957756888 /nfs/dbraw/zinc/75/68/88/957756888.db2.gz IOVMJUQPAZKCRH-ZTFGCOKTSA-N 2 0 358.461 1.833 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C)CC1 ZINC001093221807 957849124 /nfs/dbraw/zinc/84/91/24/957849124.db2.gz DNIKNODIIWVFTJ-YLJYHZDGSA-N 2 0 354.498 1.611 20 30 FDEDRP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[NH+]3CCC(C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001093469753 958223158 /nfs/dbraw/zinc/22/31/58/958223158.db2.gz KMONNINNCZQIGG-QCFAMHMHSA-N 2 0 363.546 1.870 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N ZINC001094221165 960046465 /nfs/dbraw/zinc/04/64/65/960046465.db2.gz VACYPTLLAAZZTH-QGPMSJSTSA-N 2 0 358.461 1.833 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3nccn3CC)[C@H](C)C2)CC1 ZINC001094239979 960158074 /nfs/dbraw/zinc/15/80/74/960158074.db2.gz LSKWTKSGJMYHHZ-IEBWSBKVSA-N 2 0 371.529 1.432 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)no3)[C@H](C)C2)CC1 ZINC001094240019 960159219 /nfs/dbraw/zinc/15/92/19/960159219.db2.gz NCTGSEHRHQCRBX-CRAIPNDOSA-N 2 0 358.486 1.512 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3cnns3)[C@H](C)C2)CC1 ZINC001094240439 960160850 /nfs/dbraw/zinc/16/08/50/960160850.db2.gz ZHFBLYSKKRIWLE-GDBMZVCRSA-N 2 0 361.515 1.067 20 30 FDEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]([NH+](C)CCc2ccccc2)C1 ZINC000854094062 968587938 /nfs/dbraw/zinc/58/79/38/968587938.db2.gz CFOAMHNPZRDQLH-HXUWFJFHSA-N 2 0 356.514 1.900 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(c2cc(Br)cnc2C#N)C[C@H]1C[NH+](C)C ZINC000866012180 974620409 /nfs/dbraw/zinc/62/04/09/974620409.db2.gz SRONOKLLPAAPKC-CHWSQXEVSA-N 2 0 366.307 1.891 20 30 FDEDRP C#C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)[C@H]1CCCO1 ZINC000776228374 975191703 /nfs/dbraw/zinc/19/17/03/975191703.db2.gz QGBUASFTWFNCPQ-FGTMMUONSA-N 2 0 350.507 1.225 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000867955799 977138615 /nfs/dbraw/zinc/13/86/15/977138615.db2.gz HDUSDGZBOGXZJX-AABGKKOBSA-N 2 0 368.481 1.505 20 30 FDEDRP C#CC[C@@H](CCOC)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000858167695 981887133 /nfs/dbraw/zinc/88/71/33/981887133.db2.gz WKOWACGMIDFGCX-SFHVURJKSA-N 2 0 373.501 1.321 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000883343677 982086438 /nfs/dbraw/zinc/08/64/38/982086438.db2.gz VTEIMRZFBUDOEI-GOSISDBHSA-N 2 0 350.507 1.579 20 30 FDEDRP C#CCN1CCC[C@@H](NC(=O)NCc2cccnc2-n2ccnc2C)C1 ZINC000884088239 982846451 /nfs/dbraw/zinc/84/64/51/982846451.db2.gz COKURZPGNVKPFB-QGZVFWFLSA-N 2 0 352.442 1.473 20 30 FDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC(CCC[NH+]3CCOCC3)CC1)C2 ZINC000884318803 983080045 /nfs/dbraw/zinc/08/00/45/983080045.db2.gz GEJBFKISBJGHBV-OBXNSHGQSA-N 2 0 374.529 1.477 20 30 FDEDRP C#CCNC(=O)C1CC[NH+](C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000366942038 988857598 /nfs/dbraw/zinc/85/75/98/988857598.db2.gz CBJVISSVEMVJFT-OAQYLSRUSA-N 2 0 369.509 1.739 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)CC1 ZINC000369403569 989050451 /nfs/dbraw/zinc/05/04/51/989050451.db2.gz VTDVQRXCUGMMSJ-QXAKKESOSA-N 2 0 364.534 1.825 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000369395898 989050749 /nfs/dbraw/zinc/05/07/49/989050749.db2.gz RGNKZZZVNZSHOT-LJQANCHMSA-N 2 0 363.550 1.448 20 30 FDEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000297016318 989461662 /nfs/dbraw/zinc/46/16/62/989461662.db2.gz VUEJGIZIQBNAPM-FQEVSTJZSA-N 2 0 372.513 1.532 20 30 FDEDRP C(#CCN1CC[C@@H](C[NH+]2CCCC2)C1)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000364963662 989919522 /nfs/dbraw/zinc/91/95/22/989919522.db2.gz QVARZCDTCYGKAJ-VXKWHMMOSA-N 2 0 358.574 1.825 20 30 FDEDRP C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371301444 990348590 /nfs/dbraw/zinc/34/85/90/990348590.db2.gz FVFYAEVYCUQTMB-YLJYHZDGSA-N 2 0 369.513 1.845 20 30 FDEDRP C#CCOc1ccc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000875642836 991854601 /nfs/dbraw/zinc/85/46/01/991854601.db2.gz QMXOBRLVPVNZEY-RTBURBONSA-N 2 0 372.513 1.579 20 30 FDEDRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876775176 992900241 /nfs/dbraw/zinc/90/02/41/992900241.db2.gz QBGCANQLWPOFOQ-YLJYHZDGSA-N 2 0 352.482 1.935 20 30 FDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000876896668 992957432 /nfs/dbraw/zinc/95/74/32/992957432.db2.gz KLSNHCFZRGFDGD-DLBZAZTESA-N 2 0 351.878 1.864 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000877018839 993013368 /nfs/dbraw/zinc/01/33/68/993013368.db2.gz ROSYEALCTYXRTI-BMFZPTHFSA-N 2 0 366.387 1.731 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000127859662 995049566 /nfs/dbraw/zinc/04/95/66/995049566.db2.gz XMUQWGZTIWTLTF-KDURUIRLSA-N 2 0 360.546 1.349 20 30 FDEDRP C[NH+]1CCN(C2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)CC1 ZINC000879592520 995061317 /nfs/dbraw/zinc/06/13/17/995061317.db2.gz MQIICOQGPGBVDW-UHFFFAOYSA-N 2 0 355.486 1.599 20 30 FDEDRP C[C@H]1CCC[N@H+](CCCCNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000264108374 997402686 /nfs/dbraw/zinc/40/26/86/997402686.db2.gz PZKAZLWISFTWTB-KRWDZBQOSA-N 2 0 359.522 1.425 20 30 FDEDRP C[NH+]=C(NCc1ccc(N2CC[NH+](C)CC2)nc1)N1CCc2ccccc21 ZINC000103903571 998252514 /nfs/dbraw/zinc/25/25/14/998252514.db2.gz KSQCAMQCTQHUQM-UHFFFAOYSA-N 2 0 364.497 1.972 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000284176110 999778942 /nfs/dbraw/zinc/77/89/42/999778942.db2.gz QUYCETUUFAVBPQ-UHFFFAOYSA-N 2 0 372.513 1.521 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000303863850 1009643366 /nfs/dbraw/zinc/64/33/66/1009643366.db2.gz APCBLCANNXZHPW-FQEVSTJZSA-N 2 0 373.545 1.629 20 30 FDEDRP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)C[NH+]1CCN(C)CC1 ZINC000303897394 1009682031 /nfs/dbraw/zinc/68/20/31/1009682031.db2.gz VAXKENTYLNQPOT-OAHLLOKOSA-N 2 0 361.490 1.458 20 30 FDEDRP CC[NH+]1CCN(c2ccc(CNC(=[NH2+])NCCc3ccccc3)cn2)CC1 ZINC000303910257 1009688658 /nfs/dbraw/zinc/68/86/58/1009688658.db2.gz YSQYWDKXJWAYRC-UHFFFAOYSA-N 2 0 366.513 1.871 20 30 FDEDRP [NH2+]=C(NCCCN1CCOCC1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000304764561 1010489157 /nfs/dbraw/zinc/48/91/57/1010489157.db2.gz YDMILVHGCDNULI-LJQANCHMSA-N 2 0 365.566 1.658 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C)C(C)C ZINC000556205644 544117697 /nfs/dbraw/zinc/11/76/97/544117697.db2.gz GKSOMEBRZWGLJW-QZTJIDSGSA-N 2 0 364.534 1.354 20 30 FDEDRP Cc1nnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(C#N)c1C ZINC000299586873 259008576 /nfs/dbraw/zinc/00/85/76/259008576.db2.gz SCGWXBSTQXCPBZ-UHFFFAOYSA-N 2 0 351.458 1.984 20 30 FDEDRP C[NH2+]CCCc1[nH]nc(NC(=O)c2ccnc(OCC[NH+](C)C)c2)c1C#N ZINC000542833724 490911889 /nfs/dbraw/zinc/91/18/89/490911889.db2.gz HQQAGQGBZXKQQE-UHFFFAOYSA-N 2 0 371.445 1.021 20 30 FDEDRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000139467804 524289894 /nfs/dbraw/zinc/28/98/94/524289894.db2.gz DAAXXBUQKJNCKK-IBGZPJMESA-N 2 0 355.486 1.870 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000178727336 525471335 /nfs/dbraw/zinc/47/13/35/525471335.db2.gz WJBSUMPKLVUCLR-RTBURBONSA-N 2 0 364.534 1.704 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000170911823 525767076 /nfs/dbraw/zinc/76/70/76/525767076.db2.gz QNJWEJMRRIETFO-UHFFFAOYSA-N 2 0 359.518 1.280 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000188565865 536903617 /nfs/dbraw/zinc/90/36/17/536903617.db2.gz CMNJCLHRDKPIPX-INIZCTEOSA-N 2 0 352.523 1.514 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000246849831 537038811 /nfs/dbraw/zinc/03/88/11/537038811.db2.gz TYUNRJYRXVFACJ-LEWJYISDSA-N 2 0 369.509 1.331 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000247541071 537130767 /nfs/dbraw/zinc/13/07/67/537130767.db2.gz CZRMNCHYCKKWFF-FUHWJXTLSA-N 2 0 362.518 1.086 20 30 FDEDRP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000293518611 537497736 /nfs/dbraw/zinc/49/77/36/537497736.db2.gz YQTOAQBBXKRTHD-UHFFFAOYSA-N 2 0 358.486 1.538 20 30 FDEDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000375901824 537797006 /nfs/dbraw/zinc/79/70/06/537797006.db2.gz LHRPASOEVBSDOV-WOJBJXKFSA-N 2 0 372.513 1.398 20 30 FDEDRP N#Cc1ccc(N2CCC([NH2+]CCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2)cc1 ZINC000560526439 545537279 /nfs/dbraw/zinc/53/72/79/545537279.db2.gz GUUARKSBOXJCQL-SFHVURJKSA-N 2 0 369.513 1.704 20 30 FDEDRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000591739295 551905134 /nfs/dbraw/zinc/90/51/34/551905134.db2.gz HEBNFVWCGRJAGU-SFHVURJKSA-N 2 0 360.502 1.108 20 30 FDEDRP N#Cc1cccc(CN2CCC([NH2+]C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)c1 ZINC000593323316 552089638 /nfs/dbraw/zinc/08/96/38/552089638.db2.gz UDHNNOZSLXJKBT-IBGZPJMESA-N 2 0 369.513 1.310 20 30 FDEDRP C[NH+](C)C[C@](C)(O)CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593511960 552120091 /nfs/dbraw/zinc/12/00/91/552120091.db2.gz HVYZMXCQFMEENX-HXUWFJFHSA-N 2 0 373.501 1.134 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCCO[C@@H](C[NH3+])C3)CC2)c1 ZINC000593720969 552182426 /nfs/dbraw/zinc/18/24/26/552182426.db2.gz NSYMUZWKTWAXSC-IBGZPJMESA-N 2 0 371.485 1.282 20 30 FDEDRP C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[C@H]1[NH3+] ZINC000593722995 552182611 /nfs/dbraw/zinc/18/26/11/552182611.db2.gz ZGROQCSAVIPWQM-DNVCBOLYSA-N 2 0 355.486 1.901 20 30 FDEDRP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000594437137 552309713 /nfs/dbraw/zinc/30/97/13/552309713.db2.gz IPLOEBBDFQLNMO-SFHVURJKSA-N 2 0 371.485 1.862 20 30 FDEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000594444673 552311744 /nfs/dbraw/zinc/31/17/44/552311744.db2.gz BIMZMMKONBQGFR-MOPGFXCFSA-N 2 0 358.486 1.805 20 30 FDEDRP Cc1nn(C)c(N2CCN(Cc3ccnn3-c3cc[nH+]cc3)CC2)c1C#N ZINC000597107323 552748189 /nfs/dbraw/zinc/74/81/89/552748189.db2.gz HRIYBHMZEREDFB-UHFFFAOYSA-N 2 0 362.441 1.503 20 30 FDEDRP N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC34CC[NH2+]CC4)CC2)cc1 ZINC000597439368 552789408 /nfs/dbraw/zinc/78/94/08/552789408.db2.gz IAZUQNPUPCVERR-LJQANCHMSA-N 2 0 367.497 1.918 20 30 FDEDRP C[NH2+]CCOCCN(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000599923680 553174910 /nfs/dbraw/zinc/17/49/10/553174910.db2.gz XXZWFSOPMYYEPF-UHFFFAOYSA-N 2 0 373.501 1.400 20 30 FDEDRP C[C@@H]1CC[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C[NH2+]1 ZINC000599942223 553180308 /nfs/dbraw/zinc/18/03/08/553180308.db2.gz XJSHCLTZAWDTRI-APWZRJJASA-N 2 0 355.486 1.916 20 30 FDEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600718672 553306574 /nfs/dbraw/zinc/30/65/74/553306574.db2.gz QVTHSOKBERJQTR-HXUWFJFHSA-N 2 0 356.514 1.968 20 30 FDEDRP N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CCOCC1 ZINC000600736836 553309307 /nfs/dbraw/zinc/30/93/07/553309307.db2.gz SWMUYUXVFJXBQA-UXHICEINSA-N 2 0 373.497 1.414 20 30 FDEDRP Cc1cc(F)cc(C#N)c1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000601334895 553378315 /nfs/dbraw/zinc/37/83/15/553378315.db2.gz FKXYKBRALDGBJX-UHFFFAOYSA-N 2 0 356.467 1.120 20 30 FDEDRP CC[NH+](CC)CCCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089119963 671491715 /nfs/dbraw/zinc/49/17/15/671491715.db2.gz VNJRRHLBSVYWCB-HNNXBMFYSA-N 2 0 353.511 1.599 20 30 FDEDRP CC[N@H+](CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)C(C)C ZINC000089120781 671491909 /nfs/dbraw/zinc/49/19/09/671491909.db2.gz HAEXDTYTQNVMAT-OAHLLOKOSA-N 2 0 353.511 1.597 20 30 FDEDRP Cc1cccc(N2CC[NH+](CCCNC(=[NH2+])N3CCSCC3)CC2)c1 ZINC000104170811 671594786 /nfs/dbraw/zinc/59/47/86/671594786.db2.gz KYUBZICXCIPCGR-UHFFFAOYSA-N 2 0 361.559 1.871 20 30 FDEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000158968200 671985764 /nfs/dbraw/zinc/98/57/64/671985764.db2.gz VTGJRHDIBKNXEK-LSDHHAIUSA-N 2 0 364.925 1.821 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000178566113 672143618 /nfs/dbraw/zinc/14/36/18/672143618.db2.gz HCWIFCSRMDIEES-GJZGRUSLSA-N 2 0 353.511 1.775 20 30 FDEDRP C[NH+]=C(NCC[NH+]1CCCC1)N(C)Cc1cc(Br)cn1C ZINC000179218948 672156601 /nfs/dbraw/zinc/15/66/01/672156601.db2.gz VCLZDDRRCNWUJL-UHFFFAOYSA-N 2 0 356.312 1.891 20 30 FDEDRP CC[NH+]=C(NCCN1CCC[N@H+](C)CC1)N1CCS[C@@H](C(C)C)C1 ZINC000261768284 672668409 /nfs/dbraw/zinc/66/84/09/672668409.db2.gz NSLQQQXVYWENMK-QGZVFWFLSA-N 2 0 355.596 1.663 20 30 FDEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000261822241 672678327 /nfs/dbraw/zinc/67/83/27/672678327.db2.gz UPGRKONRQUASJP-KBPBESRZSA-N 2 0 351.445 1.660 20 30 FDEDRP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CCC(OC(C)(C)C)CC1 ZINC000261848371 672682466 /nfs/dbraw/zinc/68/24/66/672682466.db2.gz XRZFVTGHWPOGHY-MRXNPFEDSA-N 2 0 353.555 1.477 20 30 FDEDRP CC[NH+]1CCC(CCNC(=[NH+]C)N2CCS(=O)(=O)C(C)(C)C2)CC1 ZINC000261935119 672696745 /nfs/dbraw/zinc/69/67/45/672696745.db2.gz CHBGPYSYUSMOHV-UHFFFAOYSA-N 2 0 358.552 1.193 20 30 FDEDRP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CC[C@]2(CCOC2)C1 ZINC000261989625 672707496 /nfs/dbraw/zinc/70/74/96/672707496.db2.gz QZYBBZUXCVUAPJ-SFHVURJKSA-N 2 0 350.507 1.319 20 30 FDEDRP CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000262419251 672786563 /nfs/dbraw/zinc/78/65/63/672786563.db2.gz QTDWFTLSWAQCPX-DLBZAZTESA-N 2 0 370.563 1.193 20 30 FDEDRP C[C@@H](NC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2)c1ccc(Cl)cc1Cl ZINC000262776368 672847304 /nfs/dbraw/zinc/84/73/04/672847304.db2.gz JYZZRXBTUJFLRU-DGCLKSJQSA-N 2 0 356.301 1.959 20 30 FDEDRP C#CCSCCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000265813668 672994335 /nfs/dbraw/zinc/99/43/35/672994335.db2.gz WFIUTIZLKFMVPJ-UHFFFAOYSA-N 2 0 361.515 1.259 20 30 FDEDRP COc1ccc(OC)c(NC(=[NH2+])NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000303776246 676542726 /nfs/dbraw/zinc/54/27/26/676542726.db2.gz HTHMPISPFUBCLW-ZIAGYGMSSA-N 2 0 350.463 1.930 20 30 FDEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000303791125 676542940 /nfs/dbraw/zinc/54/29/40/676542940.db2.gz XAFMAVXATCUIIH-HNNXBMFYSA-N 2 0 350.463 1.787 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000303885911 676543546 /nfs/dbraw/zinc/54/35/46/676543546.db2.gz NMPGQWNBLVUGJX-HNNXBMFYSA-N 2 0 353.511 1.632 20 30 FDEDRP CC(C)[C@H](CNC(=[NH2+])NCCCN1CCOCC1)[NH+]1CCC(C)CC1 ZINC000303889807 676543782 /nfs/dbraw/zinc/54/37/82/676543782.db2.gz MDGCJKSUFMVGIV-SFHVURJKSA-N 2 0 353.555 1.370 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000303971860 676544022 /nfs/dbraw/zinc/54/40/22/676544022.db2.gz FFJAOXBPADMRAV-OAHLLOKOSA-N 2 0 353.511 1.775 20 30 FDEDRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000329729660 676652099 /nfs/dbraw/zinc/65/20/99/676652099.db2.gz FXVXQBBRJPHTMU-MRXNPFEDSA-N 2 0 350.507 1.762 20 30 FDEDRP C[NH+](C)C1(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CCCCCC1 ZINC000329938467 676664752 /nfs/dbraw/zinc/66/47/52/676664752.db2.gz FBQOIZQAXYKCLV-UHFFFAOYSA-N 2 0 354.539 1.944 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000419567091 680279131 /nfs/dbraw/zinc/27/91/31/680279131.db2.gz HOZLDEOKZSIUKJ-GVDBMIGSSA-N 2 0 350.507 1.058 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1 ZINC000425488570 680905222 /nfs/dbraw/zinc/90/52/22/680905222.db2.gz XBDLMIOTDAEPAR-UHFFFAOYSA-N 2 0 352.523 1.779 20 30 FDEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001104375328 778592266 /nfs/dbraw/zinc/59/22/66/778592266.db2.gz GIXXERCRFXFUGC-SJLPKXTDSA-N 2 0 368.481 1.980 20 30 FDEDRP C=C(C)[C@H](CO)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001167529410 781805540 /nfs/dbraw/zinc/80/55/40/781805540.db2.gz LECOIBITEZOQIA-FQEVSTJZSA-N 2 0 359.514 1.884 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CC4=CCCCC4)C[C@@H]32)CC1 ZINC001083283473 791175133 /nfs/dbraw/zinc/17/51/33/791175133.db2.gz CXDQAYHIAFMKOJ-LEWJYISDSA-N 2 0 371.525 1.744 20 30 FDEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001104832752 793956278 /nfs/dbraw/zinc/95/62/78/793956278.db2.gz RJOVKBQJWJRQHC-QZTJIDSGSA-N 2 0 364.534 1.095 20 30 FDEDRP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662336572 806473960 /nfs/dbraw/zinc/47/39/60/806473960.db2.gz ZRERHRLQLDIWFF-QGZVFWFLSA-N 2 0 372.517 1.199 20 30 FDEDRP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]32)CC[N@@H+]1C ZINC000978184528 805282731 /nfs/dbraw/zinc/28/27/31/805282731.db2.gz VAQDNUJOWCMDRK-CBFGRJNTSA-N 2 0 352.482 1.692 20 30 FDEDRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2)O1 ZINC001027966416 807129469 /nfs/dbraw/zinc/12/94/69/807129469.db2.gz PNIKTVJOYUIQLB-ATZDWAIDSA-N 2 0 356.470 1.358 20 30 FDEDRP C=C(Cl)CN1C[C@]2(C)CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC000982306090 809190551 /nfs/dbraw/zinc/19/05/51/809190551.db2.gz HYTLJLWDMGXPBC-AHCXZYCDSA-N 2 0 355.910 1.628 20 30 FDEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720128 809246275 /nfs/dbraw/zinc/24/62/75/809246275.db2.gz ATBSRGQPDRGOHF-SLFFLAALSA-N 2 0 355.482 1.172 20 30 FDEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433323988 810428770 /nfs/dbraw/zinc/42/87/70/810428770.db2.gz ASGNWGINLOTHAH-KRWDZBQOSA-N 2 0 367.501 1.584 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)C(C)C ZINC000433381567 810489640 /nfs/dbraw/zinc/48/96/40/810489640.db2.gz AIVCQMXOTVNBDS-IRXDYDNUSA-N 2 0 360.506 1.631 20 30 FDEDRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(C#N)c(F)c3)C2)CC[N@@H+]1C ZINC001028551093 810625287 /nfs/dbraw/zinc/62/52/87/810625287.db2.gz ZWCZVZRQORZXIG-QGPMSJSTSA-N 2 0 358.461 1.976 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)C(C)C ZINC000422962531 814912984 /nfs/dbraw/zinc/91/29/84/814912984.db2.gz FZYUCOSAIVVCPA-KRWDZBQOSA-N 2 0 362.518 1.156 20 30 FDEDRP C=CCn1cc(CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)nn1 ZINC000425870567 816621294 /nfs/dbraw/zinc/62/12/94/816621294.db2.gz HHYXOMQXWVBZPU-KRWDZBQOSA-N 2 0 363.510 1.022 20 30 FDEDRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000261964268 817819255 /nfs/dbraw/zinc/81/92/55/817819255.db2.gz AQMQVEJOHVFHOW-IRXDYDNUSA-N 2 0 373.549 1.670 20 30 FDEDRP C[NH+]=C(NCc1ccnc(N2CC[NH+](C)CC2)c1)N1CC[C@@]2(CCOC2)C1 ZINC000261984835 817915072 /nfs/dbraw/zinc/91/50/72/817915072.db2.gz PTKOYFGRIYHTMZ-HXUWFJFHSA-N 2 0 372.517 1.021 20 30 FDEDRP CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@H]1C ZINC000328987510 819605866 /nfs/dbraw/zinc/60/58/66/819605866.db2.gz UPEIQLHMRDASCO-SJORKVTESA-N 2 0 374.533 1.662 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cc(C)no3)[C@@H]2CC)CC1 ZINC001087840454 822559719 /nfs/dbraw/zinc/55/97/19/822559719.db2.gz XXNGPZLVBJNJOB-RBUKOAKNSA-N 2 0 358.486 1.797 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCn3cccn3)[C@@H]2CC)CC1 ZINC001087839163 822560305 /nfs/dbraw/zinc/56/03/05/822560305.db2.gz OBUVYFQBEHPGRU-RBUKOAKNSA-N 2 0 357.502 1.197 20 30 FDEDRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000329158927 824633912 /nfs/dbraw/zinc/63/39/12/824633912.db2.gz XEJOIGOEEYYVML-SFHVURJKSA-N 2 0 360.506 1.047 20 30 FDEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000329263825 824702906 /nfs/dbraw/zinc/70/29/06/824702906.db2.gz DNVVELVXMKJURZ-ZWQIFLOQSA-N 2 0 364.534 1.741 20 30 FDEDRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000329529300 824854838 /nfs/dbraw/zinc/85/48/38/824854838.db2.gz VDSPQURSASXXPE-VUHPKUFZSA-N 2 0 374.533 1.886 20 30 FDEDRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000329538637 824862858 /nfs/dbraw/zinc/86/28/58/824862858.db2.gz MMTBBVGZXQWSRH-QXCFHYIPSA-N 2 0 364.534 1.837 20 30 FDEDRP C=C(C)COCCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000475075155 826612643 /nfs/dbraw/zinc/61/26/43/826612643.db2.gz ORZPLTQJYNJFKV-UHFFFAOYSA-N 2 0 361.490 1.486 20 30 FDEDRP O[C@@H]1CC[C@H]2C[NH+](CC#CC[N@@H+]3CC[C@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700358 830424496 /nfs/dbraw/zinc/42/44/96/830424496.db2.gz NSGGCHZGCCPGOQ-VFPNFYTQSA-N 2 0 360.542 1.956 20 30 FDEDRP C[NH+]=C(NCC(C)(C)[NH+]1CCC(OC)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262824430 831551960 /nfs/dbraw/zinc/55/19/60/831551960.db2.gz ZIAZDVNQKPNLTK-KRWDZBQOSA-N 3 0 363.550 1.397 20 30 FDEDRP C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000897473828 834958232 /nfs/dbraw/zinc/95/82/32/834958232.db2.gz GHEDVFCUTCXIMZ-KRWDZBQOSA-N 2 0 355.486 1.870 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105666675 843269700 /nfs/dbraw/zinc/26/97/00/843269700.db2.gz HWYADAPJRYFRNY-HNBVOPMISA-N 2 0 367.534 1.107 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[N@@H+](C)CCC)[C@H]2C(C)C)C[C@H]1O ZINC001105668097 843754329 /nfs/dbraw/zinc/75/43/29/843754329.db2.gz HLIKSZJSAJMYJZ-RMVXJAJNSA-N 2 0 363.546 1.708 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2C#N)C[C@H]1C[NH+](C)C ZINC000899157184 845877395 /nfs/dbraw/zinc/87/73/95/845877395.db2.gz HHJCGALPDRKFKZ-HUUCEWRRSA-N 2 0 353.470 1.851 20 30 FDEDRP Cc1ccc(C(=O)/C=C\C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000913436130 862044797 /nfs/dbraw/zinc/04/47/97/862044797.db2.gz DHXFAMQINCUDTL-CLUNNQHJSA-N 2 0 357.498 1.932 20 30 FDEDRP CCOCCC[NH+]=C(NC[C@@H](C)N1CC[NH+](CC)CC1)NC(C)(C)C ZINC000912498794 859826787 /nfs/dbraw/zinc/82/67/87/859826787.db2.gz HXTJZHRFEKNVMT-QGZVFWFLSA-N 2 0 355.571 1.773 20 30 FDEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001106411970 875158723 /nfs/dbraw/zinc/15/87/23/875158723.db2.gz CRGGYGQORULGAS-IAGOWNOFSA-N 2 0 367.453 1.215 20 30 FDEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001106660137 876455067 /nfs/dbraw/zinc/45/50/67/876455067.db2.gz CLHQOWOMUHXYBD-BRWVUGGUSA-N 2 0 352.523 1.093 20 30 FDEDRP COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001112540044 912358629 /nfs/dbraw/zinc/35/86/29/912358629.db2.gz CEFYNOLYPZFWNK-FPOVZHCZSA-N 2 0 361.530 1.586 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000187055665 887722740 /nfs/dbraw/zinc/72/27/40/887722740.db2.gz MBPSXWRRHBARRJ-HXUWFJFHSA-N 2 0 373.545 1.394 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000923378672 889052664 /nfs/dbraw/zinc/05/26/64/889052664.db2.gz LFKVFLJOLJYQDD-NLWGTHIKSA-N 2 0 359.470 1.516 20 30 FDEDRP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)cc1 ZINC000923384219 889066217 /nfs/dbraw/zinc/06/62/17/889066217.db2.gz UKFYCFMQCZXMBH-SFHVURJKSA-N 2 0 367.453 1.435 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000923390887 889082086 /nfs/dbraw/zinc/08/20/86/889082086.db2.gz YWFBGJWSKFJUNP-XFKSJGNHSA-N 2 0 359.470 1.516 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000923412361 889185220 /nfs/dbraw/zinc/18/52/20/889185220.db2.gz XSNJXJBRKOGNER-UYAOXDASSA-N 2 0 359.470 1.388 20 30 FDEDRP C=CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001128106957 896958322 /nfs/dbraw/zinc/95/83/22/896958322.db2.gz JVROJJPBOSBQIF-KBAYOESNSA-N 2 0 357.502 1.392 20 30 FDEDRP C=CCC[NH+]1CCC2(CN(C(=O)Cc3[nH]cnc3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079271320 902332411 /nfs/dbraw/zinc/33/24/11/902332411.db2.gz NCPZXRTVDBBHGV-FUHWJXTLSA-N 2 0 358.486 1.776 20 30 FDEDRP C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CNC(=O)CC[NH+](C)C)CCC[C@@H]23)C1=O ZINC001107530827 905440862 /nfs/dbraw/zinc/44/08/62/905440862.db2.gz OFFJXEHUFVZEGL-MBOZVWFJSA-N 2 0 362.518 1.086 20 30 FDEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)COC[C@H](C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107552453 905556622 /nfs/dbraw/zinc/55/66/22/905556622.db2.gz NLPBORCLQNIBDV-QKNQBKEWSA-N 2 0 361.530 1.871 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1c1ccccc1 ZINC001081150850 907262092 /nfs/dbraw/zinc/26/20/92/907262092.db2.gz GWSXBHWLLIZGEF-LBQNXCCASA-N 2 0 367.493 1.620 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]2OC)CC1 ZINC001082384103 907386481 /nfs/dbraw/zinc/38/64/81/907386481.db2.gz CRKSZCOFELGYKD-RTBURBONSA-N 2 0 361.530 1.583 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082515693 908185701 /nfs/dbraw/zinc/18/57/01/908185701.db2.gz VDKUXAQWELNJHO-LXGCGDOSSA-N 2 0 370.472 1.976 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001082596136 908934605 /nfs/dbraw/zinc/93/46/05/908934605.db2.gz XEZXDNMPNWSTGT-ATZDWAIDSA-N 2 0 370.497 1.988 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001082740811 909936126 /nfs/dbraw/zinc/93/61/26/909936126.db2.gz GYEUZTTVALSDLW-JTDSTZFVSA-N 2 0 370.497 1.988 20 30 FDEDRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC001082861864 910523096 /nfs/dbraw/zinc/52/30/96/910523096.db2.gz QXSMPACCOHHGPV-YVWKXTFCSA-N 2 0 370.497 1.867 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)CC1 ZINC000730758536 917269913 /nfs/dbraw/zinc/26/99/13/917269913.db2.gz CKQPPBIHCLYODZ-UHFFFAOYSA-N 2 0 361.530 1.871 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nccn2CC)CC1 ZINC001085432897 924681487 /nfs/dbraw/zinc/68/14/87/924681487.db2.gz VJLXFOOGTOTFQM-RTBURBONSA-N 2 0 371.529 1.765 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@@H+](C)CC)C2 ZINC001112557826 931549580 /nfs/dbraw/zinc/54/95/80/931549580.db2.gz AENHEUPFKQIXIJ-ZWOKBUDYSA-N 2 0 364.534 1.237 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001129954459 938576329 /nfs/dbraw/zinc/57/63/29/938576329.db2.gz OEMNMIWDXIDLAY-SJORKVTESA-N 2 0 360.506 1.460 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130148108 938706657 /nfs/dbraw/zinc/70/66/57/938706657.db2.gz GMUBEWDWIQWFQB-MSOLQXFVSA-N 2 0 360.506 1.462 20 30 FDEDRP C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001130307694 938805359 /nfs/dbraw/zinc/80/53/59/938805359.db2.gz ZCLNYGYAOVVILW-XLIONFOSSA-N 2 0 364.534 1.378 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130603101 939914969 /nfs/dbraw/zinc/91/49/69/939914969.db2.gz YRDKMPCDGMLHBO-LZLYRXPVSA-N 2 0 363.481 1.007 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130712881 939999830 /nfs/dbraw/zinc/99/98/30/939999830.db2.gz QHCBBPRWOSSLBM-ZIFCJYIRSA-N 2 0 359.518 1.612 20 30 FDEDRP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[N@@H+](C)CCC)n2)O1 ZINC001130817183 940221152 /nfs/dbraw/zinc/22/11/52/940221152.db2.gz DSFKPPMIWZIRIN-LSDHHAIUSA-N 2 0 364.494 1.149 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1c1cncn1C ZINC001131008015 940434408 /nfs/dbraw/zinc/43/44/08/940434408.db2.gz RVVUCAVSZYAHSN-IPMKNSEASA-N 2 0 371.529 1.305 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1c1cncn1C ZINC001131035974 940465124 /nfs/dbraw/zinc/46/51/24/940465124.db2.gz XHAIUKWMXWPZCO-QZTJIDSGSA-N 2 0 371.529 1.449 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1c1cncn1C ZINC001131070076 940484285 /nfs/dbraw/zinc/48/42/85/940484285.db2.gz DYFITKOILYBASR-RCCFBDPRSA-N 2 0 359.518 1.755 20 30 FDEDRP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001131541597 940716282 /nfs/dbraw/zinc/71/62/82/940716282.db2.gz UFJVAYSZOGETQJ-MOPGFXCFSA-N 2 0 361.530 1.870 20 30 FDEDRP C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001131570421 940746278 /nfs/dbraw/zinc/74/62/78/940746278.db2.gz GBCFBEWYLFAHOZ-QYZOEREBSA-N 2 0 367.534 1.515 20 30 FDEDRP C[NH+]1CCN(c2cc(C[NH2+]C[C@@H](O)c3ccc(C#N)cc3)ccn2)CC1 ZINC000818960883 943366302 /nfs/dbraw/zinc/36/63/02/943366302.db2.gz KERDTJMWMDWSQO-LJQANCHMSA-N 2 0 351.454 1.528 20 30 FDEDRP C=C(C[NH+](C)C)C(=O)N1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000844089795 947705994 /nfs/dbraw/zinc/70/59/94/947705994.db2.gz RZZFCUYANXBVQQ-UHFFFAOYSA-N 2 0 366.550 1.578 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn(C)nc3C)C2)CC1 ZINC001086882165 952913932 /nfs/dbraw/zinc/91/39/32/952913932.db2.gz CYFRZVZUCFBTAC-FXAWDEMLSA-N 2 0 371.529 1.448 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccnc3C)C2)CC1 ZINC001086882414 952914417 /nfs/dbraw/zinc/91/44/17/952914417.db2.gz PVSHOSIFRQAXIV-PKOBYXMFSA-N 2 0 369.513 1.505 20 30 FDEDRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CC#Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001092272598 954654358 /nfs/dbraw/zinc/65/43/58/954654358.db2.gz GXYOYXQYLOPMKG-VWPQPMDRSA-N 2 0 351.494 1.770 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001093458900 958286747 /nfs/dbraw/zinc/28/67/47/958286747.db2.gz HURDAHYNLKLMFL-IKVWTGGYSA-N 2 0 361.530 1.460 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001093673237 958516081 /nfs/dbraw/zinc/51/60/81/958516081.db2.gz MZAUPVZLSCBEDK-BJZITVGISA-N 2 0 358.461 1.976 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3cnc(C)cn3)[C@H](C)C2)CC1 ZINC001094239889 960157984 /nfs/dbraw/zinc/15/79/84/960157984.db2.gz INERXKSJJVXLHK-VQIMIIECSA-N 2 0 369.513 1.314 20 30 FDEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccn(CC[NH+](C)C)n3)CCC[C@@H]12 ZINC001094417149 960409008 /nfs/dbraw/zinc/40/90/08/960409008.db2.gz JYKAWSPGURWSMN-UYAOXDASSA-N 2 0 359.518 1.995 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](C[C@H](C)OC)CC3)CC1 ZINC001094581459 960879834 /nfs/dbraw/zinc/87/98/34/960879834.db2.gz BOXKTESDZWMQJG-FBBABVLZSA-N 2 0 361.530 1.727 20 30 FDEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](Cc3cc(C#N)ccc3OC)C[C@H]21 ZINC001189660452 967170790 /nfs/dbraw/zinc/17/07/90/967170790.db2.gz QEEPSZWNXOOMLE-PKOBYXMFSA-N 2 0 370.497 1.941 20 30 FDEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC(=O)NCCC#N)CC1 ZINC000775301632 967223481 /nfs/dbraw/zinc/22/34/81/967223481.db2.gz JIKLHMJGGYWHLB-OAHLLOKOSA-N 2 0 361.465 1.648 20 30 FDEDRP COc1cccc([C@H](CNC(=O)C#CC2CC[NH2+]CC2)[NH+]2CCCC2)c1 ZINC000852855593 967660756 /nfs/dbraw/zinc/66/07/56/967660756.db2.gz JRSYAAXCTZKGCY-FQEVSTJZSA-N 2 0 355.482 1.951 20 30 FDEDRP O=C(C#CC1CC[NH2+]CC1)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000852869537 967675374 /nfs/dbraw/zinc/67/53/74/967675374.db2.gz CJGWHQZLXBOAAY-UHFFFAOYSA-N 2 0 373.472 1.788 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000865194043 974174721 /nfs/dbraw/zinc/17/47/21/974174721.db2.gz RLKRTOBSHRCWEA-HNNXBMFYSA-N 2 0 354.495 1.208 20 30 FDEDRP C#C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)[C@@H]1CCCO1 ZINC000776228378 975190841 /nfs/dbraw/zinc/19/08/41/975190841.db2.gz QGBUASFTWFNCPQ-SQNIBIBYSA-N 2 0 350.507 1.225 20 30 FDEDRP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000848394171 976715365 /nfs/dbraw/zinc/71/53/65/976715365.db2.gz HQTAWNFGLMPNFW-GOEBONIOSA-N 2 0 358.442 1.945 20 30 FDEDRP C#CC[N@H+](C)CCCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883713187 982409774 /nfs/dbraw/zinc/40/97/74/982409774.db2.gz IVMJJDSENQQBHQ-UHFFFAOYSA-N 2 0 357.502 1.193 20 30 FDEDRP COc1cccc([C@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[NH+](C)C)c1 ZINC000884178303 982951069 /nfs/dbraw/zinc/95/10/69/982951069.db2.gz IFAHDRBNCZLNFZ-WXNRQPJFSA-N 2 0 356.470 1.553 20 30 FDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)C2 ZINC000884405087 983140401 /nfs/dbraw/zinc/14/04/01/983140401.db2.gz HCXKCRCHZSDVDM-RXSYBUAVSA-N 2 0 356.445 1.527 20 30 FDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000884448922 983161577 /nfs/dbraw/zinc/16/15/77/983161577.db2.gz PXYALNBZFKEIQS-SVCPCHAPSA-N 2 0 352.482 1.764 20 30 FDEDRP N#Cc1ccc(N2C(=O)C[C@H](N3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@@H]4C3)C2=O)cc1 ZINC000364274801 989527246 /nfs/dbraw/zinc/52/72/46/989527246.db2.gz YDGHOBGWEYCWFY-AITUJVMLSA-N 2 0 364.449 1.606 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000968725389 1015576924 /nfs/dbraw/zinc/57/69/24/1015576924.db2.gz VKZLIZABZFLXSW-ZTFGCOKTSA-N 2 0 356.470 1.598 20 30 FDEDRP C=CCN1CC[C@H]([NH+]2CCC(C(=O)NCCC[NH+](CC)CC)CC2)C1=O ZINC000410322372 991215254 /nfs/dbraw/zinc/21/52/54/991215254.db2.gz VJFUKQPILDFREG-SFHVURJKSA-N 2 0 364.534 1.333 20 30 FDEDRP CN(C)c1ccc(C#N)cc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000876644876 992766239 /nfs/dbraw/zinc/76/62/39/992766239.db2.gz CYHABSRDVRKRFF-UHFFFAOYSA-N 2 0 357.502 1.514 20 30 FDEDRP C[C@H]1[C@@H](NC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC000925324817 995493780 /nfs/dbraw/zinc/49/37/80/995493780.db2.gz ZJTSOFRHWZZJPO-LPHOPBHVSA-N 2 0 355.486 1.868 20 30 FDEDRP C[C@H]1[C@H](NC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC000925324819 995494782 /nfs/dbraw/zinc/49/47/82/995494782.db2.gz ZJTSOFRHWZZJPO-QFBILLFUSA-N 2 0 355.486 1.868 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(OCC(=O)N(C)C)c1 ZINC000264081756 997398173 /nfs/dbraw/zinc/39/81/73/997398173.db2.gz IUDNNVQYMYCGMS-MRXNPFEDSA-N 2 0 361.490 1.042 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(C(=O)C(=C)CC[NH+](C)C)C1 ZINC000888038706 998043921 /nfs/dbraw/zinc/04/39/21/998043921.db2.gz FVCGTQLDNDAUGA-QGZVFWFLSA-N 2 0 350.507 1.109 20 30 FDEDRP C[C@H](CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)C[NH+]1CCCC1 ZINC000089120521 1006010773 /nfs/dbraw/zinc/01/07/73/1006010773.db2.gz OXMCNTPFDXVSHL-HZPDHXFCSA-N 2 0 365.522 1.599 20 30 FDEDRP N#Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)CCN2CCOCC2)C3)s1 ZINC001111151923 1006482225 /nfs/dbraw/zinc/48/22/25/1006482225.db2.gz MHNHXYHHBYPIIT-OLMNPRSZSA-N 2 0 374.510 1.564 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C)C(C)C ZINC000556205640 544117659 /nfs/dbraw/zinc/11/76/59/544117659.db2.gz GKSOMEBRZWGLJW-MSOLQXFVSA-N 2 0 364.534 1.354 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000557767451 544344014 /nfs/dbraw/zinc/34/40/14/544344014.db2.gz NSHQYXNQLMJASC-SJORKVTESA-N 2 0 350.507 1.132 20 30 FDEDRP Cc1ccc(C#N)cc1S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000331044280 259174105 /nfs/dbraw/zinc/17/41/05/259174105.db2.gz GUBFGLVSQFCFLA-UHFFFAOYSA-N 2 0 364.515 1.513 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000363635411 259633313 /nfs/dbraw/zinc/63/33/13/259633313.db2.gz WFLQYIWFYCSXBR-HXUWFJFHSA-N 2 0 373.497 1.732 20 30 FDEDRP N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000051958205 523098885 /nfs/dbraw/zinc/09/88/85/523098885.db2.gz XIPDTVXIOUHQQS-HXUWFJFHSA-N 2 0 373.497 1.537 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000173275680 524360974 /nfs/dbraw/zinc/36/09/74/524360974.db2.gz SNIOZLLHEKOZKL-UHFFFAOYSA-N 2 0 374.485 1.332 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000112293757 524449340 /nfs/dbraw/zinc/44/93/40/524449340.db2.gz UAOSAMLZWWDESX-UHFFFAOYSA-N 2 0 357.502 1.604 20 30 FDEDRP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174241088 524531499 /nfs/dbraw/zinc/53/14/99/524531499.db2.gz LNDRRPUXBPFNOV-QGZVFWFLSA-N 2 0 350.507 1.571 20 30 FDEDRP C[NH+]=C(NCc1ccco1)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000103338593 525349583 /nfs/dbraw/zinc/34/95/83/525349583.db2.gz SAIWWPOCTGMSTQ-UHFFFAOYSA-N 2 0 357.458 1.436 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000171764713 526112577 /nfs/dbraw/zinc/11/25/77/526112577.db2.gz YNMFYDIDQOEGBY-IBGZPJMESA-N 2 0 363.550 1.448 20 30 FDEDRP Cn1cc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1C#N ZINC000191269318 537201728 /nfs/dbraw/zinc/20/17/28/537201728.db2.gz FLWNFSHHKFWHOZ-UHFFFAOYSA-N 2 0 359.518 1.813 20 30 FDEDRP CC(C)[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)N1CC[NH+](C)CC1 ZINC000304511181 537597907 /nfs/dbraw/zinc/59/79/07/537597907.db2.gz WYZIHIQMFJARHI-QZTJIDSGSA-N 2 0 359.518 1.687 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000304776151 537599157 /nfs/dbraw/zinc/59/91/57/537599157.db2.gz CYJAUJCUWMZKQX-SFHVURJKSA-N 3 0 364.582 1.325 20 30 FDEDRP CN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)C(=O)NC1CC[NH+](C)CC1 ZINC000329922391 537646973 /nfs/dbraw/zinc/64/69/73/537646973.db2.gz GJHZLOXCAIGZBK-RDJZCZTQSA-N 2 0 366.485 1.273 20 30 FDEDRP CC(C)C[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000330222246 537652278 /nfs/dbraw/zinc/65/22/78/537652278.db2.gz MFFWTEHJAYSMEJ-MSOLQXFVSA-N 2 0 352.523 1.552 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000367043977 537925239 /nfs/dbraw/zinc/92/52/39/537925239.db2.gz COOGSLZQJCKVJY-IEBWSBKVSA-N 2 0 363.550 1.304 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC000367043976 537925510 /nfs/dbraw/zinc/92/55/10/537925510.db2.gz COOGSLZQJCKVJY-HKUYNNGSSA-N 2 0 363.550 1.304 20 30 FDEDRP Cn1cc(C#N)cc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000471601389 538524922 /nfs/dbraw/zinc/52/49/22/538524922.db2.gz IKHVNMMARWPYIS-UHFFFAOYSA-N 2 0 352.442 1.234 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2CC)CC1 ZINC000561414842 545837953 /nfs/dbraw/zinc/83/79/53/545837953.db2.gz OXRIAMXVCIBVRX-KRWDZBQOSA-N 2 0 350.507 1.134 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000561453436 545858197 /nfs/dbraw/zinc/85/81/97/545858197.db2.gz VQQOZBHBPFLYMK-QGZVFWFLSA-N 2 0 362.518 1.087 20 30 FDEDRP CC(C)[C@H](C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)N1CC[NH+](C)CC1 ZINC000568501754 548562511 /nfs/dbraw/zinc/56/25/11/548562511.db2.gz BUMBYZCVMHQFRX-ICSRJNTNSA-N 2 0 360.502 1.160 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000580315480 550966142 /nfs/dbraw/zinc/96/61/42/550966142.db2.gz BBFYPXRSDBCMSP-RLLQIKCJSA-N 2 0 359.470 1.265 20 30 FDEDRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000591739292 551905029 /nfs/dbraw/zinc/90/50/29/551905029.db2.gz HEBNFVWCGRJAGU-GOSISDBHSA-N 2 0 360.502 1.108 20 30 FDEDRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593722822 552182640 /nfs/dbraw/zinc/18/26/40/552182640.db2.gz ZDXKJXYNBVFOJU-QAPCUYQASA-N 2 0 355.486 1.901 20 30 FDEDRP C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[C@@H]1[NH3+] ZINC000593722993 552182655 /nfs/dbraw/zinc/18/26/55/552182655.db2.gz ZGROQCSAVIPWQM-BEFAXECRSA-N 2 0 355.486 1.901 20 30 FDEDRP CC[NH+]1CCC(N2CCCN(C(=O)CC3(C#N)CCOCC3)CC2)CC1 ZINC000597791679 552833172 /nfs/dbraw/zinc/83/31/72/552833172.db2.gz ZTDMMNHZSNALIW-UHFFFAOYSA-N 2 0 362.518 1.715 20 30 FDEDRP COc1cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(F)cc1C#N ZINC000599814070 553154420 /nfs/dbraw/zinc/15/44/20/553154420.db2.gz SRQAIOAMBLDNQZ-UHFFFAOYSA-N 2 0 351.426 1.663 20 30 FDEDRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@@H](O)COc3ccccc3C#N)C2)CC1 ZINC000600724677 553307689 /nfs/dbraw/zinc/30/76/89/553307689.db2.gz HDHAXOMILGNOFQ-IEBWSBKVSA-N 2 0 358.486 1.056 20 30 FDEDRP C=C(CNC(=O)[C@H]1CCC[NH+]1C1CC1)CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000620749887 555979397 /nfs/dbraw/zinc/97/93/97/555979397.db2.gz QWPPHGSZCAQOJS-QZTJIDSGSA-N 2 0 360.502 1.029 20 30 FDEDRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000330274131 568077425 /nfs/dbraw/zinc/07/74/25/568077425.db2.gz JPMXHXRCJAEYIT-GHTZIAJQSA-N 2 0 372.513 1.706 20 30 FDEDRP C[NH+](C)[C@@H](CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)C1CC1 ZINC000089120532 671491579 /nfs/dbraw/zinc/49/15/79/671491579.db2.gz YJVXVJIXJMFZCB-CABCVRRESA-N 2 0 351.495 1.207 20 30 FDEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000104179691 671595125 /nfs/dbraw/zinc/59/51/25/671595125.db2.gz VMGOIJVRFICIGP-OAHLLOKOSA-N 2 0 353.511 1.586 20 30 FDEDRP CC[N@H+](CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)C1CC1 ZINC000133956102 671824541 /nfs/dbraw/zinc/82/45/41/671824541.db2.gz QBBACFGXAMWXDD-HNNXBMFYSA-N 2 0 351.495 1.351 20 30 FDEDRP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000245513426 672448470 /nfs/dbraw/zinc/44/84/70/672448470.db2.gz AJGSTNWDRHRHNU-RBUKOAKNSA-N 2 0 350.551 1.901 20 30 FDEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000262023116 672713435 /nfs/dbraw/zinc/71/34/35/672713435.db2.gz ZEMNSNHSMVOTOP-KBPBESRZSA-N 2 0 350.898 1.430 20 30 FDEDRP CC[NH+]=C(NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)NC1CCN(C(C)=O)CC1 ZINC000262176881 672741215 /nfs/dbraw/zinc/74/12/15/672741215.db2.gz DDDCLERBHGGHMW-CVEARBPZSA-N 2 0 351.539 1.673 20 30 FDEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)NC1CC[NH+](CCOC)CC1 ZINC000262394034 672782368 /nfs/dbraw/zinc/78/23/68/672782368.db2.gz MPTKGIWTEPSPIT-BBWFWOEESA-N 2 0 352.523 1.466 20 30 FDEDRP COCC[N@H+](C)CCCNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000303877821 676543510 /nfs/dbraw/zinc/54/35/10/676543510.db2.gz FRCKXTLHORDLCX-UHFFFAOYSA-N 2 0 351.470 1.231 20 30 FDEDRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000303889634 676543814 /nfs/dbraw/zinc/54/38/14/676543814.db2.gz PPYAASXOQNSRHJ-IAGOWNOFSA-N 2 0 353.555 1.370 20 30 FDEDRP C[C@H](C[NH+]1CCOCC1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000329311090 676632589 /nfs/dbraw/zinc/63/25/89/676632589.db2.gz CMTUCRHRPQTNDY-NXHRZFHOSA-N 2 0 353.507 1.679 20 30 FDEDRP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369388117 677505463 /nfs/dbraw/zinc/50/54/63/677505463.db2.gz FCKSCZGFLZYORO-MOPGFXCFSA-N 2 0 350.551 1.900 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](OC)C[C@H]1C[NH3+])C(C)C ZINC000417057684 679742238 /nfs/dbraw/zinc/74/22/38/679742238.db2.gz CEPLKAJHNUQBCR-OKZBNKHCSA-N 2 0 352.523 1.833 20 30 FDEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420347427 680434423 /nfs/dbraw/zinc/43/44/23/680434423.db2.gz GQFIWUAAMBIMTG-DLBZAZTESA-N 2 0 362.543 1.631 20 30 FDEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001112481136 771872315 /nfs/dbraw/zinc/87/23/15/771872315.db2.gz FHALYNRHMWUOJB-KBGGIIEESA-N 2 0 357.498 1.091 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+](C)C)C2 ZINC001112519673 783841814 /nfs/dbraw/zinc/84/18/14/783841814.db2.gz UJTAZDOPYOXJCY-ZWOKBUDYSA-N 2 0 364.534 1.237 20 30 FDEDRP C=CCN1CC[C@H]([NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)C1=O ZINC000662326720 806483583 /nfs/dbraw/zinc/48/35/83/806483583.db2.gz APPSCMNLRONVIC-IBGZPJMESA-N 2 0 357.502 1.843 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000664016346 810164894 /nfs/dbraw/zinc/16/48/94/810164894.db2.gz OARJNPKOBKLKHF-KRWDZBQOSA-N 2 0 353.555 1.598 20 30 FDEDRP C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261994329 811362485 /nfs/dbraw/zinc/36/24/85/811362485.db2.gz SAVUZLJHBHRCIL-HNAYVOBHSA-N 2 0 369.513 1.219 20 30 FDEDRP N#C[C@H]1CC[C@@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000425435162 816284752 /nfs/dbraw/zinc/28/47/52/816284752.db2.gz RJTNQEADXRBCLD-DLBZAZTESA-N 2 0 356.474 1.585 20 30 FDEDRP Cc1nnc(CNC(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)=[NH+]C2CCCC2)n1C ZINC000261940445 816954449 /nfs/dbraw/zinc/95/44/49/816954449.db2.gz DLEWNMFRYPYQLO-CZUORRHYSA-N 2 0 359.522 1.727 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3conc3C)[C@@H]2CC)CC1 ZINC001087839966 822558828 /nfs/dbraw/zinc/55/88/28/822558828.db2.gz BNQORJWOSMPLCB-RBUKOAKNSA-N 2 0 358.486 1.797 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCCOC3)[C@@H]2CC)CC1 ZINC001087840079 822558896 /nfs/dbraw/zinc/55/88/96/822558896.db2.gz GUJSHTOYBVOBBU-YZGWKJHDSA-N 2 0 361.530 1.727 20 30 FDEDRP CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000329356791 824752324 /nfs/dbraw/zinc/75/23/24/824752324.db2.gz HBOLOWLSZVWYJJ-GOSISDBHSA-N 2 0 372.517 1.418 20 30 FDEDRP CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000329933876 825551383 /nfs/dbraw/zinc/55/13/83/825551383.db2.gz BTKAHFBEWSLNCB-GOSISDBHSA-N 2 0 360.502 1.563 20 30 FDEDRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000330210341 825735226 /nfs/dbraw/zinc/73/52/26/825735226.db2.gz CIULSLMRCZXSID-QRVBRYPASA-N 2 0 364.534 1.838 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nc(C#N)cs1 ZINC000897293492 827766521 /nfs/dbraw/zinc/76/65/21/827766521.db2.gz ZGQWVYLBWNBXDQ-OAHLLOKOSA-N 2 0 364.519 1.572 20 30 FDEDRP CC(C)C[C@H](CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)[NH+](C)C ZINC000305035389 828026919 /nfs/dbraw/zinc/02/69/19/828026919.db2.gz SJNHUXSHQWOLIE-CVEARBPZSA-N 2 0 367.538 1.843 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C(C)C)C[C@H]1O ZINC001105666484 843194274 /nfs/dbraw/zinc/19/42/74/843194274.db2.gz GBZGRPMXMQYWST-NEYJZJCJSA-N 2 0 359.514 1.072 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4c(C)noc4C)C[C@H]32)CC1 ZINC001076604700 848554529 /nfs/dbraw/zinc/55/45/29/848554529.db2.gz RWOQBHWSXIWIGL-AZUAARDMSA-N 2 0 370.497 1.669 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000908144555 855091028 /nfs/dbraw/zinc/09/10/28/855091028.db2.gz ICGFRUOXYUMMCY-NRFANRHFSA-N 2 0 370.541 1.913 20 30 FDEDRP C#CCN(C(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1)C1CC[NH+](C)CC1 ZINC000910885776 857837163 /nfs/dbraw/zinc/83/71/63/857837163.db2.gz NAGLFWGFTBOPHM-UHFFFAOYSA-N 2 0 374.529 1.019 20 30 FDEDRP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000669032123 860845606 /nfs/dbraw/zinc/84/56/06/860845606.db2.gz AXEBRRURQXELOS-XDNAFOTISA-N 2 0 374.533 1.919 20 30 FDEDRP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)[C@H]2C)C1=O ZINC001088899104 865323975 /nfs/dbraw/zinc/32/39/75/865323975.db2.gz MPUCBBOEDMIDJT-NJAFHUGGSA-N 2 0 362.518 1.084 20 30 FDEDRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1 ZINC001106881642 881907506 /nfs/dbraw/zinc/90/75/06/881907506.db2.gz HWOXDSFIEBRXBI-IEBWSBKVSA-N 2 0 369.484 1.957 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCn3nc(C)cc3C)[C@@H]2C)CC1 ZINC001089059362 866384925 /nfs/dbraw/zinc/38/49/25/866384925.db2.gz JGDGXJWKWSFBAK-QUCCMNQESA-N 2 0 371.529 1.424 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCOc3ccccc3)[C@@H]2C)CC1 ZINC001089060030 866390344 /nfs/dbraw/zinc/39/03/44/866390344.db2.gz OXTVHVGXXJGHIU-NQIIRXRSSA-N 2 0 369.509 1.990 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000914078979 870645960 /nfs/dbraw/zinc/64/59/60/870645960.db2.gz MJMWDIBKJRUCEW-UHFFFAOYSA-N 2 0 354.498 1.832 20 30 FDEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001106412189 875159996 /nfs/dbraw/zinc/15/99/96/875159996.db2.gz KMQGLUIKGINQOH-IAGOWNOFSA-N 2 0 369.469 1.768 20 30 FDEDRP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001106621318 876244783 /nfs/dbraw/zinc/24/47/83/876244783.db2.gz DVZVACPCZALOBR-IUODEOHRSA-N 2 0 358.324 1.921 20 30 FDEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C ZINC001106665819 876475638 /nfs/dbraw/zinc/47/56/38/876475638.db2.gz CSNMASHTSVVPRI-MBOZVWFJSA-N 2 0 367.509 1.533 20 30 FDEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001106672298 876513895 /nfs/dbraw/zinc/51/38/95/876513895.db2.gz PBCJBKHTQKYCFF-TZIWHRDSSA-N 2 0 371.525 1.495 20 30 FDEDRP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001034324297 884195035 /nfs/dbraw/zinc/19/50/35/884195035.db2.gz UGLSGWHJAWUGRL-KSZLIROESA-N 2 0 351.491 1.023 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000376042502 887123631 /nfs/dbraw/zinc/12/36/31/887123631.db2.gz DRBQBUQIXUUJIK-UHFFFAOYSA-N 2 0 360.506 2.312 20 30 FDEDRP CC#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001079147012 901970380 /nfs/dbraw/zinc/97/03/80/901970380.db2.gz RXEUABLURJQIKN-VAMGGRTRSA-N 2 0 355.482 1.035 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1c1ccc(F)cc1 ZINC001079161337 902085424 /nfs/dbraw/zinc/08/54/24/902085424.db2.gz KBDGOVLAZZAZQW-RBUKOAKNSA-N 2 0 355.457 1.829 20 30 FDEDRP CC#CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259901 902296454 /nfs/dbraw/zinc/29/64/54/902296454.db2.gz UIKBJHXMQOBIKM-GBESFXJTSA-N 2 0 359.514 1.291 20 30 FDEDRP CC#CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079260774 902298614 /nfs/dbraw/zinc/29/86/14/902298614.db2.gz ORNQEUQFGFIESZ-CEXWTWQISA-N 2 0 359.514 1.433 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1c1ccccc1 ZINC001081195469 907374210 /nfs/dbraw/zinc/37/42/10/907374210.db2.gz BVZXHZHEAXANPN-VQTJNVASSA-N 2 0 367.497 1.829 20 30 FDEDRP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001032408962 907822090 /nfs/dbraw/zinc/82/20/90/907822090.db2.gz QHEHQENBPZYYRO-HAGHYFMRSA-N 2 0 361.530 1.985 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC001082920176 910889661 /nfs/dbraw/zinc/88/96/61/910889661.db2.gz UCHLKXPYOXSXKD-SZVBFZGTSA-N 2 0 356.470 1.477 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(OC)c3)C2)CC1 ZINC001082941492 911017834 /nfs/dbraw/zinc/01/78/34/911017834.db2.gz SXNDXZOTANJNCZ-DYESRHJHSA-N 2 0 369.509 1.977 20 30 FDEDRP C[NH+](C)CCCNC(=S)NN=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771561979 930743394 /nfs/dbraw/zinc/74/33/94/930743394.db2.gz ZGNFDJUSBPBLHT-UHFFFAOYSA-N 2 0 362.547 1.188 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1c1cn(C)cn1 ZINC001130610264 939907551 /nfs/dbraw/zinc/90/75/51/939907551.db2.gz FJGIAAFNAIQDLK-WSTZPKSXSA-N 2 0 371.529 1.305 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130635164 939937437 /nfs/dbraw/zinc/93/74/37/939937437.db2.gz LQQVKLNPRFLELB-DFQSSKMNSA-N 2 0 369.513 1.202 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130692600 939981250 /nfs/dbraw/zinc/98/12/50/939981250.db2.gz SRSKDUDTCLNITL-UHOSZYNNSA-N 2 0 359.518 1.304 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130692599 939981300 /nfs/dbraw/zinc/98/13/00/939981300.db2.gz SRSKDUDTCLNITL-QXAKKESOSA-N 2 0 359.518 1.304 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1c1cn(C)cn1 ZINC001130721897 940025911 /nfs/dbraw/zinc/02/59/11/940025911.db2.gz VGGJKRNLATVEBO-DSKINZAPSA-N 2 0 371.529 1.756 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1cncn1C ZINC001131007710 940434111 /nfs/dbraw/zinc/43/41/11/940434111.db2.gz HNVDGZBVYAJJFA-QZTJIDSGSA-N 2 0 359.518 1.755 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1c1cncn1C ZINC001131007842 940434457 /nfs/dbraw/zinc/43/44/57/940434457.db2.gz NSLIXVDLQDWERQ-LMMKCTJWSA-N 2 0 359.518 1.611 20 30 FDEDRP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001131510719 940660534 /nfs/dbraw/zinc/66/05/34/940660534.db2.gz ZGRMLXCCSCFGHJ-KSZLIROESA-N 2 0 355.498 1.838 20 30 FDEDRP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000815860724 941995908 /nfs/dbraw/zinc/99/59/08/941995908.db2.gz XVHKMJTZKGDCSQ-UHFFFAOYSA-N 2 0 370.497 1.335 20 30 FDEDRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000819007140 943382946 /nfs/dbraw/zinc/38/29/46/943382946.db2.gz FJABOSYHHORYDW-FQEVSTJZSA-N 2 0 366.465 1.673 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H](C)c3ncccn3)C2)CC1 ZINC001086882484 952914481 /nfs/dbraw/zinc/91/44/81/952914481.db2.gz SNQOMJDTLRZLRG-ZIFCJYIRSA-N 2 0 369.513 1.757 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1c1cnn(C)c1 ZINC001087004468 953062282 /nfs/dbraw/zinc/06/22/82/953062282.db2.gz ZZIDCZJKSXQVIF-RBUKOAKNSA-N 2 0 359.518 1.611 20 30 FDEDRP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2 ZINC001092275605 954668865 /nfs/dbraw/zinc/66/88/65/954668865.db2.gz KPTHJMNDFVMQTH-CTNGQTDRSA-N 2 0 352.482 1.934 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C(C)C)C[C@H]1O ZINC001093457514 958281127 /nfs/dbraw/zinc/28/11/27/958281127.db2.gz KUBBSEXFTUGNAC-XCJLJZCSSA-N 2 0 366.465 1.547 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001093480553 958303764 /nfs/dbraw/zinc/30/37/64/958303764.db2.gz LRACQRZUIBKYHS-UKAVVXHISA-N 2 0 361.530 1.462 20 30 FDEDRP C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C[NH+]3CCCC3)[C@H]2C(C)C)C[C@H]1O ZINC001093480886 958304833 /nfs/dbraw/zinc/30/48/33/958304833.db2.gz PRKFHVBWAZDJRM-ZAWLATJESA-N 2 0 369.937 1.801 20 30 FDEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[NH+]3CCCC3)[C@H]2C(C)C)C[C@H]1O ZINC001093480883 958305109 /nfs/dbraw/zinc/30/51/09/958305109.db2.gz PRKFHVBWAZDJRM-FPAYPSAMSA-N 2 0 369.937 1.801 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001093672992 958514712 /nfs/dbraw/zinc/51/47/12/958514712.db2.gz HOLVKRXZWXKBOQ-LSBZLQRGSA-N 2 0 358.461 1.976 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001094220004 960041160 /nfs/dbraw/zinc/04/11/60/960041160.db2.gz ZUOBEQWDCYKAFK-FHLIZLRMSA-N 2 0 358.461 1.833 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCCOC(C)C)C[C@H]32)CC1 ZINC001190318698 967732727 /nfs/dbraw/zinc/73/27/27/967732727.db2.gz SGKMHLSOGIAAIH-VQTJNVASSA-N 2 0 361.530 1.679 20 30 FDEDRP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000848394170 976715698 /nfs/dbraw/zinc/71/56/98/976715698.db2.gz HQTAWNFGLMPNFW-GDBMZVCRSA-N 2 0 358.442 1.945 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(c2cc(C#N)c(Br)cn2)C[C@H]1C[NH+](C)C ZINC000882679001 980821839 /nfs/dbraw/zinc/82/18/39/980821839.db2.gz NQFPBVRKLHEHAT-ZIAGYGMSSA-N 2 0 366.307 1.891 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC([NH2+]C3CCOCC3)CC2)CC1 ZINC000883343637 982086593 /nfs/dbraw/zinc/08/65/93/982086593.db2.gz UHKAEHOUWJKLOB-UHFFFAOYSA-N 2 0 350.507 1.579 20 30 FDEDRP C[NH+](C)C[C@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c2ccccc2O1 ZINC000884232329 983006954 /nfs/dbraw/zinc/00/69/54/983006954.db2.gz OCTWKQOCKIUCPE-SIRSKZSMSA-N 2 0 354.454 1.482 20 30 FDEDRP CCc1ccc([C@H]2C[NH2+]CCN2C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1 ZINC000884278746 983049262 /nfs/dbraw/zinc/04/92/62/983049262.db2.gz SNOINPCYVAWODQ-XTBIFASLSA-N 2 0 352.482 1.861 20 30 FDEDRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)C2)cc1 ZINC000884465910 983171163 /nfs/dbraw/zinc/17/11/63/983171163.db2.gz MSCDJKMVNZQOQQ-KYBDOYODSA-N 2 0 352.482 1.825 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000884642591 984649789 /nfs/dbraw/zinc/64/97/89/984649789.db2.gz MLNSVQYBSAZDQF-HXUWFJFHSA-N 2 0 364.534 1.367 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884643077 984650815 /nfs/dbraw/zinc/65/08/15/984650815.db2.gz WKHAGDRWFHCYFZ-MRXNPFEDSA-N 2 0 350.507 1.038 20 30 FDEDRP C#CCN(C(=O)CC[NH+]1CCN(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000886581462 986384308 /nfs/dbraw/zinc/38/43/08/986384308.db2.gz XZKBRQNSNXPIHY-UHFFFAOYSA-N 2 0 368.525 1.755 20 30 FDEDRP C#CC[N@@H+](C)CCCNC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000297067323 989469983 /nfs/dbraw/zinc/46/99/83/989469983.db2.gz LVXXCWPXHOOENU-UHFFFAOYSA-N 2 0 361.490 1.166 20 30 FDEDRP C#C[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccc(F)cc1 ZINC000875724021 991948106 /nfs/dbraw/zinc/94/81/06/991948106.db2.gz RVPWHOWWOWGVSC-LMMKCTJWSA-N 2 0 360.477 1.881 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)CC1 ZINC000923642528 992032950 /nfs/dbraw/zinc/03/29/50/992032950.db2.gz UQUVDAHXZUPPKC-HXUWFJFHSA-N 2 0 354.498 1.966 20 30 FDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000876747036 992867044 /nfs/dbraw/zinc/86/70/44/992867044.db2.gz STJJYNYKDLDMEV-GFCCVEGCSA-N 2 0 352.822 1.565 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(CN2CCCC2=O)c1 ZINC000264090026 997399694 /nfs/dbraw/zinc/39/96/94/997399694.db2.gz KSBNUSWYTVZIAF-SFHVURJKSA-N 2 0 357.502 1.698 20 30 FDEDRP C=C(CNC(=O)[C@H]1CCC[N@H+]1C(C)C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000826627951 998282641 /nfs/dbraw/zinc/28/26/41/998282641.db2.gz RBNKXEQQZRKVRC-HDICACEKSA-N 2 0 364.534 1.521 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCN1C(=O)c2ccccc2C1=O ZINC000267439780 999335994 /nfs/dbraw/zinc/33/59/94/999335994.db2.gz OWNQQDODSSJPBQ-OAHLLOKOSA-N 2 0 371.485 1.451 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccncc1OCCC[NH+](C)C ZINC000288668154 1000036633 /nfs/dbraw/zinc/03/66/33/1000036633.db2.gz HHDMKKCSYJQQPZ-QGZVFWFLSA-N 3 0 362.522 1.301 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(COC)OCCc2ccccc21 ZINC000290691933 1000153550 /nfs/dbraw/zinc/15/35/50/1000153550.db2.gz RETHJARLCRZXTB-XLIONFOSSA-N 2 0 360.502 1.490 20 30 FDEDRP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)COC1CC[NH+](C)CC1 ZINC000930978839 1003735598 /nfs/dbraw/zinc/73/55/98/1003735598.db2.gz FGRMKLYAFPLSGJ-UHFFFAOYSA-N 2 0 358.486 1.559 20 30 FDEDRP C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001111021530 1004655903 /nfs/dbraw/zinc/65/59/03/1004655903.db2.gz XNQMFXYHUCMYNN-MKXGPGLRSA-N 2 0 374.529 1.250 20 30 FDEDRP CC(C)(C)OC(=O)N1CCN2C(NCC[NH+]3CCCCCC3)=[NH+]C[C@H]2C1 ZINC000089120447 1006010144 /nfs/dbraw/zinc/01/01/44/1006010144.db2.gz LWKGOCVPTLETQQ-INIZCTEOSA-N 2 0 365.522 1.743 20 30 FDEDRP CC(C)(C)OC(=O)N1CCN2C(NCC[NH+]3CCCCCC3)=[NH+]C[C@@H]2C1 ZINC000089120446 1006010683 /nfs/dbraw/zinc/01/06/83/1006010683.db2.gz LWKGOCVPTLETQQ-MRXNPFEDSA-N 2 0 365.522 1.743 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccccc1)N1CCOCC1 ZINC000245910880 1006208993 /nfs/dbraw/zinc/20/89/93/1006208993.db2.gz PCKSBCCNHFODDC-RTBURBONSA-N 2 0 359.518 1.449 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000249388063 1008206553 /nfs/dbraw/zinc/20/65/53/1008206553.db2.gz XGQOVIIFQVBIBT-PMACEKPBSA-N 3 0 373.545 1.666 20 30 FDEDRP C[C@@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000303903364 1009685764 /nfs/dbraw/zinc/68/57/64/1009685764.db2.gz UJRJRMSYMZKRFT-CVEARBPZSA-N 2 0 367.538 1.974 20 30 FDEDRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=[NH2+])N3CCCCC3)c2)C1 ZINC000304759133 1010477556 /nfs/dbraw/zinc/47/75/56/1010477556.db2.gz QUTBRCXHGVQKNF-GOSISDBHSA-N 2 0 357.502 1.685 20 30 FDEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000550721915 543158507 /nfs/dbraw/zinc/15/85/07/543158507.db2.gz RLVJBUBQCCXHDX-UHFFFAOYSA-N 2 0 357.380 1.537 20 30 FDEDRP C=CCCC[C@H](C)NC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000557234155 544266989 /nfs/dbraw/zinc/26/69/89/544266989.db2.gz KBGHNELNBMGWGV-INIZCTEOSA-N 2 0 364.534 1.522 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000557731358 544337376 /nfs/dbraw/zinc/33/73/76/544337376.db2.gz RGYWUSHMHVOUKF-UHFFFAOYSA-N 2 0 362.518 1.230 20 30 FDEDRP C[C@H](CCNC(=[NH2+])NCCCN1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000083052662 524234718 /nfs/dbraw/zinc/23/47/18/524234718.db2.gz IWDZFOGFEOSMKH-GOSISDBHSA-N 2 0 361.534 1.524 20 30 FDEDRP CC(C)(C)OC(=O)N1CCN2C(NC[C@@H]3CC[N@@H+](C4CC4)C3)=[NH+]C[C@@H]2C1 ZINC000089120490 524477382 /nfs/dbraw/zinc/47/73/82/524477382.db2.gz UTAXVMDSWBXRFU-GOEBONIOSA-N 2 0 363.506 1.351 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000089896886 524539038 /nfs/dbraw/zinc/53/90/38/524539038.db2.gz IAGODXNYNLOJJV-VQTJNVASSA-N 2 0 372.513 1.571 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000104181739 525398465 /nfs/dbraw/zinc/39/84/65/525398465.db2.gz YUCIXJSTFBSLNN-VQTJNVASSA-N 3 0 357.546 1.940 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000154284281 525481764 /nfs/dbraw/zinc/48/17/64/525481764.db2.gz XUXWUELBTJBCMC-YOFSQIOKSA-N 2 0 358.530 1.101 20 30 FDEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000130537662 525767759 /nfs/dbraw/zinc/76/77/59/525767759.db2.gz XOTHXFNAPCXVNN-UHFFFAOYSA-N 2 0 365.865 1.102 20 30 FDEDRP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000131575239 525874159 /nfs/dbraw/zinc/87/41/59/525874159.db2.gz QZODQRHKUBGRCJ-QUCCMNQESA-N 2 0 360.498 1.809 20 30 FDEDRP CC[NH+]1CCN([C@H]2CC[N@H+](CCC(=O)Nc3sccc3C#N)C2)CC1 ZINC000109025724 526061985 /nfs/dbraw/zinc/06/19/85/526061985.db2.gz KMSNTPXQVBPQOO-INIZCTEOSA-N 2 0 361.515 1.660 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000283385240 537374328 /nfs/dbraw/zinc/37/43/28/537374328.db2.gz JGMYJLSLRACDKK-IBGZPJMESA-N 2 0 370.497 1.144 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000304997975 537597978 /nfs/dbraw/zinc/59/79/78/537597978.db2.gz AQEGLZWOELPQGL-RBUKOAKNSA-N 2 0 371.529 1.466 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000414819381 537920537 /nfs/dbraw/zinc/92/05/37/537920537.db2.gz YOMIQYWWJIFFEG-UHFFFAOYSA-N 2 0 356.470 1.428 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N(CCC)CCN2CC[NH+](CC)CC2)CC1 ZINC000460261077 538475904 /nfs/dbraw/zinc/47/59/04/538475904.db2.gz RDLUHGQQGKMEIA-UHFFFAOYSA-N 2 0 365.566 1.696 20 30 FDEDRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cnc4c(C#N)cnn4c3)CC2)CC1 ZINC000570844208 549434506 /nfs/dbraw/zinc/43/45/06/549434506.db2.gz ZTOXLHXZYVHQBI-UHFFFAOYSA-N 2 0 367.501 1.450 20 30 FDEDRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000577602694 550674009 /nfs/dbraw/zinc/67/40/09/550674009.db2.gz JZYYXBBOJFJLAA-QWFCFKBJSA-N 2 0 358.530 1.939 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000580791156 551018981 /nfs/dbraw/zinc/01/89/81/551018981.db2.gz WDZHWISSMNEENI-KRWDZBQOSA-N 2 0 350.507 1.134 20 30 FDEDRP CSC1(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC[NH+](C)CC1 ZINC000583436421 551351490 /nfs/dbraw/zinc/35/14/90/551351490.db2.gz GLFJPFOKZOFSSS-QGZVFWFLSA-N 2 0 363.527 1.909 20 30 FDEDRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593714064 552180850 /nfs/dbraw/zinc/18/08/50/552180850.db2.gz JVVVKUHFUPLPBZ-BEFAXECRSA-N 2 0 355.486 1.820 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)c1 ZINC000593716125 552181155 /nfs/dbraw/zinc/18/11/55/552181155.db2.gz PVCYTTSDRHWHDK-VQIMIIECSA-N 2 0 355.486 1.949 20 30 FDEDRP N#CC[C@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000595478893 552569695 /nfs/dbraw/zinc/56/96/95/552569695.db2.gz HJFHYRHEPIFRKU-GOSISDBHSA-N 2 0 370.501 1.929 20 30 FDEDRP N#Cc1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(C(F)(F)F)c1 ZINC000595890764 552629384 /nfs/dbraw/zinc/62/93/84/552629384.db2.gz FZKJLWXZWRGMKS-AWEZNQCLSA-N 2 0 354.376 1.864 20 30 FDEDRP N#CC1(CC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000595935682 552635656 /nfs/dbraw/zinc/63/56/56/552635656.db2.gz KCZLWAFUDFQKQY-UHFFFAOYSA-N 2 0 370.497 1.807 20 30 FDEDRP N#Cc1cnn2cc(C[NH2+]CC3CC[NH+](C4CCOCC4)CC3)cnc12 ZINC000597176650 552757906 /nfs/dbraw/zinc/75/79/06/552757906.db2.gz KEBAONOYNJVSHB-UHFFFAOYSA-N 2 0 354.458 1.582 20 30 FDEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000600726496 553308111 /nfs/dbraw/zinc/30/81/11/553308111.db2.gz LOTOOCTWDRULRO-PKOBYXMFSA-N 2 0 360.502 1.161 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C1([S@](C)=O)CC[NH2+]CC1)C(C)C ZINC000602471799 553588345 /nfs/dbraw/zinc/58/83/45/553588345.db2.gz IVQYVCVWUAWPAX-GYCJOSAFSA-N 2 0 355.548 1.302 20 30 FDEDRP N#Cc1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000609660976 554408347 /nfs/dbraw/zinc/40/83/47/554408347.db2.gz YVHXVWIGLHQRQG-UHFFFAOYSA-N 2 0 350.426 1.290 20 30 FDEDRP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261747441 672663934 /nfs/dbraw/zinc/66/39/34/672663934.db2.gz NCXKSITVFJENIU-HZPDHXFCSA-N 2 0 352.523 1.610 20 30 FDEDRP CC[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N(C)Cc1cc(Cl)cn1C ZINC000261960431 672702532 /nfs/dbraw/zinc/70/25/32/672702532.db2.gz KAAGEPBMSGSULQ-INIZCTEOSA-N 2 0 352.914 1.076 20 30 FDEDRP C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)N1CC[NH+](C)CC1 ZINC000264071970 672900155 /nfs/dbraw/zinc/90/01/55/672900155.db2.gz DORYZVYYICLGAP-GFCCVEGCSA-N 2 0 359.396 1.948 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1CS(C)(=O)=O ZINC000304743938 676544368 /nfs/dbraw/zinc/54/43/68/676544368.db2.gz DMAVEZQZMMGDDC-MRXNPFEDSA-N 2 0 352.504 1.120 20 30 FDEDRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330169706 676676443 /nfs/dbraw/zinc/67/64/43/676676443.db2.gz DIMBEDFCWARKKG-KBAYOESNSA-N 2 0 352.523 1.742 20 30 FDEDRP C=CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083194088 771237480 /nfs/dbraw/zinc/23/74/80/771237480.db2.gz VRJNIFZELIZFNZ-FRQCXROJSA-N 2 0 353.482 1.687 20 30 FDEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001104421423 783174580 /nfs/dbraw/zinc/17/45/80/783174580.db2.gz SMOWBYCPNYNKEW-IAGOWNOFSA-N 2 0 354.454 1.672 20 30 FDEDRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1)[NH+](CC)CC ZINC001104667580 789274737 /nfs/dbraw/zinc/27/47/37/789274737.db2.gz QOFLNPRRGOFYJS-QRVBRYPASA-N 2 0 351.535 1.831 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(F)c(C#N)c3)C2)CC[N@@H+]1C ZINC001026853119 800007809 /nfs/dbraw/zinc/00/78/09/800007809.db2.gz XPSNVRNPOAUJMQ-UWWQBHOKSA-N 2 0 358.461 1.976 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(F)c(C#N)c3)C2)CC[N@@H+]1C ZINC001026853118 800008172 /nfs/dbraw/zinc/00/81/72/800008172.db2.gz XPSNVRNPOAUJMQ-QGPMSJSTSA-N 2 0 358.461 1.976 20 30 FDEDRP C=CC[C@]1(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662755527 803052230 /nfs/dbraw/zinc/05/22/30/803052230.db2.gz ZYKUADYPGDSIHP-OAQYLSRUSA-N 2 0 356.514 1.619 20 30 FDEDRP C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000669035738 804867376 /nfs/dbraw/zinc/86/73/76/804867376.db2.gz PDKRFTGMVMOFCA-MSOLQXFVSA-N 2 0 372.517 1.532 20 30 FDEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001112531896 807110948 /nfs/dbraw/zinc/11/09/48/807110948.db2.gz VZYMXOJFSPTYKN-ZJOUEHCJSA-N 2 0 361.530 1.729 20 30 FDEDRP COC[C@]1(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCC[NH2+]1 ZINC000418658576 809108775 /nfs/dbraw/zinc/10/87/75/809108775.db2.gz TUMUZQBZMMCSJC-HXUWFJFHSA-N 2 0 373.501 1.400 20 30 FDEDRP C#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001087443902 809804851 /nfs/dbraw/zinc/80/48/51/809804851.db2.gz MGRBKACKWLSZPL-FGZHOGPDSA-N 2 0 363.505 1.939 20 30 FDEDRP C=CCCn1cc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000424203716 815326505 /nfs/dbraw/zinc/32/65/05/815326505.db2.gz USAHDMLPEMJFEE-UHFFFAOYSA-N 2 0 368.485 1.578 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C(C)C ZINC000424450514 815357147 /nfs/dbraw/zinc/35/71/47/815357147.db2.gz ANUAOEATWAPJHM-OTWHNJEPSA-N 2 0 374.533 1.555 20 30 FDEDRP C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261994327 811362540 /nfs/dbraw/zinc/36/25/40/811362540.db2.gz SAVUZLJHBHRCIL-DNVCBOLYSA-N 2 0 369.513 1.219 20 30 FDEDRP C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N1CCC(C(=O)OC)CC1 ZINC000262599600 811505070 /nfs/dbraw/zinc/50/50/70/811505070.db2.gz YEPIWCFHQFTAPX-UHFFFAOYSA-N 2 0 370.457 1.536 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])C(C)C ZINC000419572119 812026072 /nfs/dbraw/zinc/02/60/72/812026072.db2.gz QFMRDNQCVZRZLB-FGTMMUONSA-N 2 0 364.534 1.387 20 30 FDEDRP CC[NH+]1CCC(N2CCCN(CC(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC000515531657 816308487 /nfs/dbraw/zinc/30/84/87/816308487.db2.gz BEZZRCOBKYACNO-UHFFFAOYSA-N 2 0 369.513 1.989 20 30 FDEDRP C[N@H+]1C[C@H]2CN(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)C[C@H]2C1 ZINC000895594235 822666899 /nfs/dbraw/zinc/66/68/99/822666899.db2.gz LRWPFLGOCBSAOV-KDURUIRLSA-N 2 0 367.497 1.726 20 30 FDEDRP CCN(CC)C(=O)CN1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000329318529 824732402 /nfs/dbraw/zinc/73/24/02/824732402.db2.gz SUFVISGMISZDLS-MRXNPFEDSA-N 2 0 365.522 1.013 20 30 FDEDRP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1=CC[N@H+](C)CC1 ZINC000329341346 824745765 /nfs/dbraw/zinc/74/57/65/824745765.db2.gz OXDSCOXSZOHJTP-KFKAGJAMSA-N 2 0 364.534 1.908 20 30 FDEDRP C[C@H](O)CN1CCN(C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329441582 824795146 /nfs/dbraw/zinc/79/51/46/824795146.db2.gz NBVAGTHAWNHCDD-LSDHHAIUSA-N 2 0 363.506 1.408 20 30 FDEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000262335509 825338462 /nfs/dbraw/zinc/33/84/62/825338462.db2.gz SEBPEZRQKALPOD-MRXNPFEDSA-N 2 0 362.474 1.931 20 30 FDEDRP C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000330177440 825707497 /nfs/dbraw/zinc/70/74/97/825707497.db2.gz KRLUZMZSQOHSRB-RWQQGDIJSA-N 2 0 366.550 1.988 20 30 FDEDRP C#CCOc1ccc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cc1 ZINC000840954195 828124421 /nfs/dbraw/zinc/12/44/21/828124421.db2.gz AGSKTGXUDXHQRA-UHFFFAOYSA-N 2 0 357.498 1.585 20 30 FDEDRP C#CCN(C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)C1CC[NH+](C)CC1 ZINC000925168452 828306977 /nfs/dbraw/zinc/30/69/77/828306977.db2.gz BBUKZURJUBUZLB-SJORKVTESA-N 2 0 350.532 1.305 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(C)C ZINC000729592917 830134890 /nfs/dbraw/zinc/13/48/90/830134890.db2.gz NXKOUWOLLOBFLO-IPMKNSEASA-N 2 0 364.534 1.847 20 30 FDEDRP CC[NH+]=C(NC[C@H]1CCCC[N@@H+]1CC)N1CCN(c2ncccn2)CC1 ZINC000262788290 831433256 /nfs/dbraw/zinc/43/32/56/831433256.db2.gz NGJPWIZRCILQPU-QGZVFWFLSA-N 2 0 359.522 1.439 20 30 FDEDRP N#Cc1csc(CONC(=[NH2+])[C@@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000842039301 840862492 /nfs/dbraw/zinc/86/24/92/840862492.db2.gz NANMWFKJLNVUAO-HNNXBMFYSA-N 2 0 357.439 1.914 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CCC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105652870 842451486 /nfs/dbraw/zinc/45/14/86/842451486.db2.gz QAGRTWGYFRMLKA-IZBJGVDFSA-N 2 0 351.535 1.870 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[N@@H+](C)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105666703 843297378 /nfs/dbraw/zinc/29/73/78/843297378.db2.gz IMAJKJAXRWGJHP-HNBVOPMISA-N 2 0 351.535 1.870 20 30 FDEDRP C=C(CNC(=O)[C@H]1CC[N@H+]1C(C)(C)C)CNC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000898986332 845579974 /nfs/dbraw/zinc/57/99/74/845579974.db2.gz ABKRXNBFBNYSNX-IYBDPMFKSA-N 2 0 364.534 1.521 20 30 FDEDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)CC3(C#N)CCOCC3)cc2)CC1 ZINC000905428776 851934507 /nfs/dbraw/zinc/93/45/07/851934507.db2.gz VXIRWFFJRODZHS-FQEVSTJZSA-N 2 0 372.513 1.599 20 30 FDEDRP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)C1CC[NH+](C)CC1 ZINC000906452238 852901305 /nfs/dbraw/zinc/90/13/05/852901305.db2.gz NNRUYBGCXXDIOB-RTBURBONSA-N 2 0 357.502 1.011 20 30 FDEDRP C#CCN(C(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1)C1CC[NH+](C)CC1 ZINC000910882448 857831056 /nfs/dbraw/zinc/83/10/56/857831056.db2.gz FNIYCENXLPSTJZ-UHFFFAOYSA-N 2 0 374.529 1.019 20 30 FDEDRP C=CCNC(NCCCC[NH+]1CCN(c2ncccn2)CC1)=[NH+]C(C)(C)C ZINC000912496968 859817463 /nfs/dbraw/zinc/81/74/63/859817463.db2.gz JBTDNUVOCGOHPM-UHFFFAOYSA-N 2 0 373.549 1.899 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCCCN1C(=O)C(=C)CC[NH+](C)C ZINC000913741299 869541620 /nfs/dbraw/zinc/54/16/20/869541620.db2.gz OTACWPOVVUTRSV-SFHVURJKSA-N 2 0 364.534 1.500 20 30 FDEDRP C#CCN(C(=O)NC1CC[NH+](Cc2ccccn2)CC1)C1CC[NH+](C)CC1 ZINC000914018830 870368984 /nfs/dbraw/zinc/36/89/84/870368984.db2.gz XUBHZVUPDFTQSK-UHFFFAOYSA-N 2 0 369.513 1.785 20 30 FDEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001106730749 877225605 /nfs/dbraw/zinc/22/56/05/877225605.db2.gz NQUSAKHKOPNLFT-KURKYZTESA-N 2 0 364.534 1.236 20 30 FDEDRP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129071858 885695476 /nfs/dbraw/zinc/69/54/76/885695476.db2.gz OIFJLNBLMSDSBN-KURKYZTESA-N 2 0 362.522 1.706 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000919965683 886473537 /nfs/dbraw/zinc/47/35/37/886473537.db2.gz ILGAHJYCUKYXRY-UHFFFAOYSA-N 2 0 354.498 1.718 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000921775815 897926919 /nfs/dbraw/zinc/92/69/19/897926919.db2.gz JXGVWXQEYMMKJK-UHFFFAOYSA-N 2 0 355.486 1.695 20 30 FDEDRP C=C(C)CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001079146929 901970448 /nfs/dbraw/zinc/97/04/48/901970448.db2.gz OQVYVBKQOYRCMM-PWRODBHTSA-N 2 0 371.525 1.978 20 30 FDEDRP C=CC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079246279 902258584 /nfs/dbraw/zinc/25/85/84/902258584.db2.gz ZPGLUFSHAMDSHY-CEXWTWQISA-N 2 0 361.530 1.986 20 30 FDEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC#CCOC)CC2 ZINC001107426098 904847303 /nfs/dbraw/zinc/84/73/03/904847303.db2.gz FZSTVJSKTKNJPC-SFHLNBCPSA-N 2 0 361.530 1.871 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2C)CC1 ZINC001080997966 906974212 /nfs/dbraw/zinc/97/42/12/906974212.db2.gz QFVSIUVURMUDDT-YLJYHZDGSA-N 2 0 361.530 1.585 20 30 FDEDRP N#CCOc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC001084832675 917532858 /nfs/dbraw/zinc/53/28/58/917532858.db2.gz SGQFYEUCJJTVMK-UYAOXDASSA-N 2 0 368.481 1.717 20 30 FDEDRP CC(=NNC(=S)NCCC[NH+](C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000731929235 918850606 /nfs/dbraw/zinc/85/06/06/918850606.db2.gz BZRYWXCWOJFMKC-UHFFFAOYSA-N 2 0 365.547 1.767 20 30 FDEDRP CCOCCC[N@@H+]1CCC(=NNC(=S)NCCC[NH+](C)C)[C@@H](C)C1 ZINC000735229386 924137150 /nfs/dbraw/zinc/13/71/50/924137150.db2.gz DJQWWCNHQUOONY-HNNXBMFYSA-N 2 0 357.568 1.527 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001129879238 938536495 /nfs/dbraw/zinc/53/64/95/938536495.db2.gz YIHSUDAEMVYHQK-ZACQAIPSSA-N 2 0 366.485 1.266 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@@H]1n1ccnn1 ZINC001129884653 938538856 /nfs/dbraw/zinc/53/88/56/938538856.db2.gz QHFVYIFHDMBECB-KURKYZTESA-N 2 0 360.506 1.460 20 30 FDEDRP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130125212 938695929 /nfs/dbraw/zinc/69/59/29/938695929.db2.gz CHUQCXVBMMJKMA-MSOLQXFVSA-N 2 0 360.506 1.462 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130640004 939931992 /nfs/dbraw/zinc/93/19/92/939931992.db2.gz VDXYWUTXBOPOQN-FUHWJXTLSA-N 2 0 357.502 1.202 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1c1cn(C)cn1 ZINC001130635159 939937483 /nfs/dbraw/zinc/93/74/83/939937483.db2.gz LEWBCICOXOJBAP-PKOBYXMFSA-N 2 0 371.529 1.449 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130733972 940034343 /nfs/dbraw/zinc/03/43/43/940034343.db2.gz DNDGTCHAWAPDIN-DFQSSKMNSA-N 2 0 371.529 1.448 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1c1cncn1C ZINC001131082341 940487972 /nfs/dbraw/zinc/48/79/72/940487972.db2.gz NOEBOCHPFLARQI-QZTJIDSGSA-N 2 0 357.502 1.059 20 30 FDEDRP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001131510313 940658899 /nfs/dbraw/zinc/65/88/99/940658899.db2.gz AONRJJJHSUVLOF-KSZLIROESA-N 2 0 353.482 1.285 20 30 FDEDRP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001131510693 940660564 /nfs/dbraw/zinc/66/05/64/940660564.db2.gz XKNXTLVPYXXNBM-OTWHNJEPSA-N 2 0 367.509 1.675 20 30 FDEDRP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001131515346 940679670 /nfs/dbraw/zinc/67/96/70/940679670.db2.gz FCFPWJPFOHYALJ-ZVDOUQERSA-N 2 0 361.530 1.870 20 30 FDEDRP C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001131596982 940780432 /nfs/dbraw/zinc/78/04/32/940780432.db2.gz DZAXLZMKAMTMSY-QUCCMNQESA-N 2 0 367.534 1.517 20 30 FDEDRP N#Cc1ccc([C@H](O)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000819218082 943492100 /nfs/dbraw/zinc/49/21/00/943492100.db2.gz CMVVAUGKTJLZRO-LEWJYISDSA-N 2 0 351.450 1.948 20 30 FDEDRP C#CCNC(=O)CC[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000819333026 943530074 /nfs/dbraw/zinc/53/00/74/943530074.db2.gz FKBFBLZCLCXNDA-FQEVSTJZSA-N 2 0 369.509 1.644 20 30 FDEDRP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+](Cc1cncc(C#N)c1)CC2 ZINC001144075722 948189060 /nfs/dbraw/zinc/18/90/60/948189060.db2.gz SSCJTVRWLCRWCM-UHFFFAOYSA-N 2 0 351.454 1.277 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnc(C)nc3)C2)CC1 ZINC001086882379 952913870 /nfs/dbraw/zinc/91/38/70/952913870.db2.gz OKDOPIKBXXCXDS-FXAWDEMLSA-N 2 0 369.513 1.505 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3ncccc3C)C[C@H]2C)CC1 ZINC001093222412 957849362 /nfs/dbraw/zinc/84/93/62/957849362.db2.gz LMCGYPHIGKVGRG-UYAOXDASSA-N 2 0 368.525 1.919 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3cccnc3C)C[C@H]2C)CC1 ZINC001093224219 957853037 /nfs/dbraw/zinc/85/30/37/957853037.db2.gz NYXTVDNKRNOQEW-DYESRHJHSA-N 2 0 368.525 1.919 20 30 FDEDRP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)cc1C#N ZINC001094219287 960037619 /nfs/dbraw/zinc/03/76/19/960037619.db2.gz IEUOONLWUFGNPH-HHXXYDBFSA-N 2 0 370.497 1.703 20 30 FDEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C[C@H]1C ZINC001181499727 960878687 /nfs/dbraw/zinc/87/86/87/960878687.db2.gz ZZSKZEZYUQSFHY-RDPOXOKHSA-N 2 0 363.546 1.994 20 30 FDEDRP C[NH+]1CCN(CC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172965780 961851886 /nfs/dbraw/zinc/85/18/86/961851886.db2.gz HLNHZQATWKJFHE-HOTGVXAUSA-N 2 0 351.495 1.115 20 30 FDEDRP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CC1 ZINC001188963715 966677282 /nfs/dbraw/zinc/67/72/82/966677282.db2.gz PFDQADOQXIYLQE-RBUKOAKNSA-N 2 0 352.482 1.933 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCOCCCC)C[C@H]32)CC1 ZINC001190317582 967731312 /nfs/dbraw/zinc/73/13/12/967731312.db2.gz ICFUVCFFJCKQPT-VQTJNVASSA-N 2 0 361.530 1.681 20 30 FDEDRP C#CCC[NH+]1CCC(NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000866014804 974622698 /nfs/dbraw/zinc/62/26/98/974622698.db2.gz FNDHMFDANWPGCM-INIZCTEOSA-N 2 0 366.506 1.045 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cccc(CC#N)c2)C[C@H]1C[NH+](C)C ZINC000867589024 976444491 /nfs/dbraw/zinc/44/44/91/976444491.db2.gz BZNFWCROINRAJG-IAGOWNOFSA-N 2 0 364.515 1.113 20 30 FDEDRP CC(C)[N@@H+]1CC[C@H](CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000849087294 977307997 /nfs/dbraw/zinc/30/79/97/977307997.db2.gz VIKVRMZKCKBMAD-HZPDHXFCSA-N 2 0 365.522 1.597 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000849106038 977317721 /nfs/dbraw/zinc/31/77/21/977317721.db2.gz PVSFJUGOMZVQBC-SFHVURJKSA-N 2 0 351.539 1.281 20 30 FDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC000884006919 982698010 /nfs/dbraw/zinc/69/80/10/982698010.db2.gz INMCOEXXQNFLLG-SCCNAQOGSA-N 2 0 352.482 1.860 20 30 FDEDRP C[NH+]1CCN(Cc2cccc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)c2)CC1 ZINC000884234802 983010735 /nfs/dbraw/zinc/01/07/35/983010735.db2.gz FEDSBVKNMZUCBD-WBTXTPOCSA-N 2 0 367.497 1.512 20 30 FDEDRP CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000884306596 983071251 /nfs/dbraw/zinc/07/12/51/983071251.db2.gz ISNWAJQVNMHKDY-JMDAGXMHSA-N 2 0 352.482 1.859 20 30 FDEDRP C[C@@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023730 985533375 /nfs/dbraw/zinc/53/33/75/985533375.db2.gz KNIDCGUJYAUCAR-KBAYOESNSA-N 2 0 358.486 1.523 20 30 FDEDRP C#CCNC(=O)CC[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000293777936 988202085 /nfs/dbraw/zinc/20/20/85/988202085.db2.gz LMSQRCKNTNWUIM-INIZCTEOSA-N 2 0 360.477 1.758 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC000369403568 989050923 /nfs/dbraw/zinc/05/09/23/989050923.db2.gz VTDVQRXCUGMMSJ-NZSAHSFTSA-N 2 0 364.534 1.825 20 30 FDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000876917672 992965585 /nfs/dbraw/zinc/96/55/85/992965585.db2.gz ATVUPCFWXHMQCR-CQSZACIVSA-N 2 0 352.866 1.379 20 30 FDEDRP N#Cc1cc(C[NH+]2CC[C@@]3(O)C[C@H]3C2)cc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000878949181 994377803 /nfs/dbraw/zinc/37/78/03/994377803.db2.gz JVSPIJLFDBTOOS-UWHLTILDSA-N 2 0 353.466 1.472 20 30 FDEDRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000887130956 996958259 /nfs/dbraw/zinc/95/82/59/996958259.db2.gz OIBFRRWLJFHLFT-QFBILLFUSA-N 2 0 352.438 1.904 20 30 FDEDRP CCNC(=O)COc1cccc(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)c1 ZINC000264095969 997401350 /nfs/dbraw/zinc/40/13/50/997401350.db2.gz MQDRVVDJZLFQRQ-INIZCTEOSA-N 2 0 361.490 1.090 20 30 FDEDRP C[NH+](C)CCCN(CCC#N)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000266860073 999250286 /nfs/dbraw/zinc/25/02/86/999250286.db2.gz RRBLHAQCILJNTH-UHFFFAOYSA-N 2 0 371.529 1.893 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC000284210928 999780503 /nfs/dbraw/zinc/78/05/03/999780503.db2.gz WSHRFVPNVVVTCU-ZWKOTPCHSA-N 2 0 364.534 1.211 20 30 FDEDRP COc1ccc(CCNC(=[NH2+])NCCCN(C)CC[NH+](C)C)cc1OC ZINC000288805862 1000048754 /nfs/dbraw/zinc/04/87/54/1000048754.db2.gz ZSDUEDVIUJBUIX-UHFFFAOYSA-N 2 0 365.522 1.034 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1)C(C)C ZINC000642769872 1007891050 /nfs/dbraw/zinc/89/10/50/1007891050.db2.gz OVNSVUNWYLRPTC-RCCFBDPRSA-N 2 0 364.534 1.387 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CCOCC2)c(F)c1 ZINC000303906167 1009688326 /nfs/dbraw/zinc/68/83/26/1009688326.db2.gz ZTJCCKFMHULUOU-INIZCTEOSA-N 2 0 363.481 1.551 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000553735456 543689176 /nfs/dbraw/zinc/68/91/76/543689176.db2.gz UKBLZXYUDJRSOA-HNNXBMFYSA-N 2 0 352.523 1.236 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)C(C)C ZINC000559389726 544669885 /nfs/dbraw/zinc/66/98/85/544669885.db2.gz XEXUMVLTYUJSPY-QGZVFWFLSA-N 2 0 350.507 1.012 20 30 FDEDRP C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000328960401 259069294 /nfs/dbraw/zinc/06/92/94/259069294.db2.gz QJGKVACXCBPXNZ-SLYNCCJLSA-N 2 0 372.513 1.256 20 30 FDEDRP CN1CC[NH+](CC2(C)CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)CC1 ZINC000368822502 260241941 /nfs/dbraw/zinc/24/19/41/260241941.db2.gz KSCOVAXEGIHXDO-FQEVSTJZSA-N 2 0 356.514 1.941 20 30 FDEDRP [NH2+]=C(NCCCN1CCOCC1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000080839303 523909730 /nfs/dbraw/zinc/90/97/30/523909730.db2.gz WPGMHJRASWFIRP-LJQANCHMSA-N 2 0 359.518 1.278 20 30 FDEDRP C[NH+]=C(NCc1c(C)noc1C)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000157157602 524219073 /nfs/dbraw/zinc/21/90/73/524219073.db2.gz IPYUGZRQCWFIRH-UHFFFAOYSA-N 2 0 371.489 1.303 20 30 FDEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121779875 524361510 /nfs/dbraw/zinc/36/15/10/524361510.db2.gz NIIQIGFIVZLNIM-MRXNPFEDSA-N 2 0 350.507 1.975 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1OC ZINC000104179058 525398751 /nfs/dbraw/zinc/39/87/51/525398751.db2.gz KABFWHIHYODNHV-OAHLLOKOSA-N 2 0 364.490 1.644 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(OC2CCOCC2)c1 ZINC000267398009 536975872 /nfs/dbraw/zinc/97/58/72/536975872.db2.gz FGMDSELYMGXOEY-INIZCTEOSA-N 2 0 361.490 1.528 20 30 FDEDRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000292218108 537718315 /nfs/dbraw/zinc/71/83/15/537718315.db2.gz OWTNJFPBZXJAND-LJQANCHMSA-N 2 0 357.502 1.822 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)C2CC[NH+](CCC)CC2)CC1 ZINC000574301888 550292468 /nfs/dbraw/zinc/29/24/68/550292468.db2.gz KYQFOGYIMZCKAW-UHFFFAOYSA-N 2 0 350.507 1.086 20 30 FDEDRP CC[NH+]1CCN(CC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593884523 552216744 /nfs/dbraw/zinc/21/67/44/552216744.db2.gz XMVXZRIAVLLXHT-UHFFFAOYSA-N 2 0 369.513 1.276 20 30 FDEDRP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000594449868 552312586 /nfs/dbraw/zinc/31/25/86/552312586.db2.gz PNXGBEXXYSYWSQ-INIZCTEOSA-N 2 0 359.474 1.320 20 30 FDEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)C1 ZINC000595641130 552596173 /nfs/dbraw/zinc/59/61/73/552596173.db2.gz BSTBJIVYAANDPE-IBGZPJMESA-N 2 0 372.513 1.856 20 30 FDEDRP N#Cc1ccc(CC[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000595892608 552629471 /nfs/dbraw/zinc/62/94/71/552629471.db2.gz NRCWGKFBOVLVMC-OALUTQOASA-N 2 0 353.470 1.321 20 30 FDEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)[C@H](C)C1 ZINC000599373044 553039187 /nfs/dbraw/zinc/03/91/87/553039187.db2.gz RQVCCRPVEDJPEF-QRVBRYPASA-N 2 0 367.534 1.784 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1cccc(CC#N)c1 ZINC000619473007 555783126 /nfs/dbraw/zinc/78/31/26/555783126.db2.gz UXTCPWKUZWOENB-UHFFFAOYSA-N 2 0 366.531 1.647 20 30 FDEDRP C[NH+]=C(NCC1(SC)CCOCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000130713417 671796884 /nfs/dbraw/zinc/79/68/84/671796884.db2.gz WWNWYUJVSMMRPG-MRXNPFEDSA-N 2 0 354.564 1.892 20 30 FDEDRP CC[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCC(OC(C)(C)C)CC1 ZINC000261738136 672662018 /nfs/dbraw/zinc/66/20/18/672662018.db2.gz KINPXEDOQHYLBI-INIZCTEOSA-N 2 0 351.539 1.231 20 30 FDEDRP CC[NH+]=C(NC[C@H](C)N1CC[NH+](CC)CC1)N1CCSC(C)(C)C1 ZINC000261833758 672680266 /nfs/dbraw/zinc/68/02/66/672680266.db2.gz JHQNOILKUYPKFQ-INIZCTEOSA-N 2 0 355.596 1.805 20 30 FDEDRP CC[NH+]=C(NC[C@@H]1CCCCN1CC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261988204 672707572 /nfs/dbraw/zinc/70/75/72/672707572.db2.gz QRWIDJWEUHWUCE-HNNXBMFYSA-N 2 0 358.552 1.335 20 30 FDEDRP CC[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262756625 672843130 /nfs/dbraw/zinc/84/31/30/672843130.db2.gz DMWCXUVQEFMXDF-PKOBYXMFSA-N 2 0 367.607 1.949 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C)C(C)C ZINC000264774591 672924963 /nfs/dbraw/zinc/92/49/63/672924963.db2.gz TVEXTNVJEVAYGX-QZTJIDSGSA-N 2 0 351.539 1.230 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1cc(OC)cc(OC)c1 ZINC000267462453 673306799 /nfs/dbraw/zinc/30/67/99/673306799.db2.gz VNPZXCKLVZVKSH-YOEHRIQHSA-N 2 0 350.463 1.126 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)c1cccc(Br)c1 ZINC000283149982 675649213 /nfs/dbraw/zinc/64/92/13/675649213.db2.gz YWSRBQKHSJZEBZ-HUUCEWRRSA-N 2 0 369.307 1.871 20 30 FDEDRP CC(C)[C@H](CNC(=[NH2+])NCCCN1CCOCC1)[NH+]1CCCCCC1 ZINC000303788980 676543119 /nfs/dbraw/zinc/54/31/19/676543119.db2.gz UWSYQPCJILVDKC-SFHVURJKSA-N 2 0 353.555 1.514 20 30 FDEDRP C[NH+]1CCN(c2cc(CNC(=[NH2+])NCCc3cccs3)ccn2)CC1 ZINC000303885309 676543488 /nfs/dbraw/zinc/54/34/88/676543488.db2.gz JRJGQDFQASGDBV-UHFFFAOYSA-N 2 0 358.515 1.542 20 30 FDEDRP C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000303907856 676543635 /nfs/dbraw/zinc/54/36/35/676543635.db2.gz XEBZWGDOMXZHND-HNNXBMFYSA-N 2 0 353.511 1.728 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000305809280 676545284 /nfs/dbraw/zinc/54/52/84/676545284.db2.gz IEJKEVYPWYVOTA-HNNXBMFYSA-N 2 0 353.511 1.776 20 30 FDEDRP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC[N@@H+]1C ZINC000329294918 676631602 /nfs/dbraw/zinc/63/16/02/676631602.db2.gz SBHHFJHZYAHVCE-VDHUWJSZSA-N 2 0 352.523 1.741 20 30 FDEDRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000329615674 676646208 /nfs/dbraw/zinc/64/62/08/676646208.db2.gz SHWVESRNFRIQMJ-CGTJXYLNSA-N 2 0 350.507 1.618 20 30 FDEDRP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363658757 676967720 /nfs/dbraw/zinc/96/77/20/676967720.db2.gz BMFVYISGLHGMBR-QGZVFWFLSA-N 2 0 350.507 1.429 20 30 FDEDRP CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000409591209 678865095 /nfs/dbraw/zinc/86/50/95/678865095.db2.gz IYMRUCQABVTCSQ-DLBZAZTESA-N 2 0 373.567 1.061 20 30 FDEDRP CC[NH+]1CCC(NC(=O)NCc2ccc(N3CC[NH+](CC)CC3)nc2)CC1 ZINC000328693841 773526254 /nfs/dbraw/zinc/52/62/54/773526254.db2.gz CSESSVLCBOHLHH-UHFFFAOYSA-N 2 0 374.533 1.711 20 30 FDEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC001104290017 773663850 /nfs/dbraw/zinc/66/38/50/773663850.db2.gz XKGLUDLOJUIWOX-GGPKGHCWSA-N 2 0 361.530 1.727 20 30 FDEDRP COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001111776096 790443206 /nfs/dbraw/zinc/44/32/06/790443206.db2.gz OMAFPWPNUPGHMS-ZVDOUQERSA-N 2 0 361.530 1.870 20 30 FDEDRP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001024444772 784707050 /nfs/dbraw/zinc/70/70/50/784707050.db2.gz CNEBMTYSWKXHGH-ZCNNSNEGSA-N 2 0 361.530 1.727 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001083283884 791203400 /nfs/dbraw/zinc/20/34/00/791203400.db2.gz ZMAMSYTWQDANPL-LEWJYISDSA-N 2 0 367.493 1.443 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cc(C#N)ccc3F)C2)CC[N@@H+]1C ZINC001026853937 800030658 /nfs/dbraw/zinc/03/06/58/800030658.db2.gz WBAUQWPKDPDLER-UWWQBHOKSA-N 2 0 358.461 1.976 20 30 FDEDRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3C#N)C2)O1 ZINC001026916081 800172205 /nfs/dbraw/zinc/17/22/05/800172205.db2.gz AADYYXJKSZZOTI-JTDSTZFVSA-N 2 0 356.470 1.215 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC001211678455 805351322 /nfs/dbraw/zinc/35/13/22/805351322.db2.gz XJGUBQGHIXHAJV-HLAWJBBLSA-N 2 0 369.509 1.705 20 30 FDEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000424139967 815316431 /nfs/dbraw/zinc/31/64/31/815316431.db2.gz ATKYGPYXGLKSAB-WBVHZDCISA-N 2 0 357.458 1.344 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000419726487 812118374 /nfs/dbraw/zinc/11/83/74/812118374.db2.gz KBVUSNUARHEBML-UHFFFAOYSA-N 2 0 372.513 1.521 20 30 FDEDRP Cc1nnc(CNC(=[NH+]C2CCCC2)N2CC[C@@H](C[NH+]3CCCC3)C2)n1C ZINC000261953674 817611631 /nfs/dbraw/zinc/61/16/31/817611631.db2.gz IEEVWENKOHZTNG-KRWDZBQOSA-N 2 0 373.549 1.929 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCCCO3)[C@@H]2CC)CC1 ZINC001087840174 822559258 /nfs/dbraw/zinc/55/92/58/822559258.db2.gz KWBOIEWUAKVITG-HSALFYBXSA-N 2 0 361.530 1.870 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3cc[nH+]cc3OC)CC2)CC1 ZINC000474332604 822721189 /nfs/dbraw/zinc/72/11/89/822721189.db2.gz QBRKQDGTCGFGLB-UHFFFAOYSA-N 2 0 373.501 1.962 20 30 FDEDRP C#CC[NH+]1CCC(Nc2ncc(C)c(NC3CC[NH+](CC#C)CC3)n2)CC1 ZINC000895808368 822754051 /nfs/dbraw/zinc/75/40/51/822754051.db2.gz GWEMSUPJDLNPOJ-UHFFFAOYSA-N 2 0 366.513 1.804 20 30 FDEDRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccc(C#N)cc3)CC[C@@H]2C1 ZINC001087908629 823745686 /nfs/dbraw/zinc/74/56/86/823745686.db2.gz ILQXLOBSEGJWIX-AABGKKOBSA-N 2 0 352.482 1.933 20 30 FDEDRP C[C@@H]1CN(C(C)(C)CNC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)C[C@H](C)O1 ZINC000329058926 824549948 /nfs/dbraw/zinc/54/99/48/824549948.db2.gz UGEFKBMLUWPZRF-TWMKSMIVSA-N 2 0 368.522 1.193 20 30 FDEDRP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CCC[NH+]1C ZINC000329152303 824632504 /nfs/dbraw/zinc/63/25/04/824632504.db2.gz APMQSNAGHXHIGJ-UKBAYJJMSA-N 2 0 374.533 1.743 20 30 FDEDRP C[C@@H]1CCCC[C@@H]1[NH+]=C(NCC(=O)N(C)C)NC1CC[NH+](C2CC2)CC1 ZINC000262286216 824691936 /nfs/dbraw/zinc/69/19/36/824691936.db2.gz KFTVTQNREKKWCJ-QAPCUYQASA-N 2 0 363.550 1.815 20 30 FDEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992165 824952851 /nfs/dbraw/zinc/95/28/51/824952851.db2.gz GYMYLTANIFZSGL-HBFSDRIKSA-N 2 0 361.530 1.986 20 30 FDEDRP CC[C@H](C)[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000262341192 825499065 /nfs/dbraw/zinc/49/90/65/825499065.db2.gz XCGCCCSYTHJXNZ-LZLYRXPVSA-N 2 0 363.550 1.767 20 30 FDEDRP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000330214794 825737168 /nfs/dbraw/zinc/73/71/68/825737168.db2.gz GKZSWQCMTWPBAX-RTBURBONSA-N 2 0 364.534 1.838 20 30 FDEDRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)C1 ZINC001088200038 827432687 /nfs/dbraw/zinc/43/26/87/827432687.db2.gz MVAZRGDMRVHIKG-AABGKKOBSA-N 2 0 352.482 1.790 20 30 FDEDRP C[C@H]1CN(CC#CCN2CC[N@@H+](C3CC3)C[C@@H](C)C2)CC[NH+](C2CC2)C1 ZINC000451095533 830249356 /nfs/dbraw/zinc/24/93/56/830249356.db2.gz STZVIXOLBKDWNK-PMACEKPBSA-N 2 0 358.574 1.822 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000453668964 830998490 /nfs/dbraw/zinc/99/84/90/830998490.db2.gz YGKCJYQDGNGWTF-LJQANCHMSA-N 2 0 370.497 1.941 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105652872 842453460 /nfs/dbraw/zinc/45/34/60/842453460.db2.gz QAGRTWGYFRMLKA-JYBIWHBTSA-N 2 0 351.535 1.870 20 30 FDEDRP C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105660417 842540718 /nfs/dbraw/zinc/54/07/18/842540718.db2.gz UXPGVBKILCVWID-XYVMCAHJSA-N 2 0 357.926 1.657 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[N@@H+](C)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105666541 843201986 /nfs/dbraw/zinc/20/19/86/843201986.db2.gz GQNXJZNZJZZQMW-LFGUQSLTSA-N 2 0 351.535 1.870 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@H+](C)C(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105676279 845886062 /nfs/dbraw/zinc/88/60/62/845886062.db2.gz VDQGICHYKAISMG-IZBJGVDFSA-N 2 0 351.535 1.869 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000668840223 857692654 /nfs/dbraw/zinc/69/26/54/857692654.db2.gz FKLVYOGNEMEGLA-INIZCTEOSA-N 2 0 350.507 1.132 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000911891441 859095227 /nfs/dbraw/zinc/09/52/27/859095227.db2.gz HAMHBGBASSGUOJ-UXHICEINSA-N 2 0 357.498 1.996 20 30 FDEDRP C=C(C[NH+](C)C)C(=O)N[C@]1(C(=O)OC)CCC[N@H+](Cc2ccccc2)C1 ZINC000912037200 859251752 /nfs/dbraw/zinc/25/17/52/859251752.db2.gz KTWMDXMFSDKPNC-HXUWFJFHSA-N 2 0 359.470 1.428 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCO[C@@H]3CC3(F)F)[C@@H]2C)CC1 ZINC001089059267 866383190 /nfs/dbraw/zinc/38/31/90/866383190.db2.gz GQYIJUWYOLNILR-HYVNUMGLSA-N 2 0 369.456 1.335 20 30 FDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C[C@H]1C ZINC001106144233 871376201 /nfs/dbraw/zinc/37/62/01/871376201.db2.gz WSNVHVLSQRAEDN-AFYVEPGGSA-N 2 0 361.530 1.441 20 30 FDEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)COC[C@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001106680973 876550007 /nfs/dbraw/zinc/55/00/07/876550007.db2.gz OVFGCSQIWGUAJQ-HYVNUMGLSA-N 2 0 357.926 1.924 20 30 FDEDRP C[NH+]1CCN(C(=[NH2+])Nc2nc3ccccc3nc2NC(=O)CC#N)CC1 ZINC001168735102 879327449 /nfs/dbraw/zinc/32/74/49/879327449.db2.gz IJPIQDKGWFUAIU-UHFFFAOYSA-N 2 0 352.402 1.076 20 30 FDEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129257606 886931679 /nfs/dbraw/zinc/93/16/79/886931679.db2.gz LCHDBQWIRCJFBY-SQNIBIBYSA-N 2 0 362.522 1.706 20 30 FDEDRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001084231101 913775409 /nfs/dbraw/zinc/77/54/09/913775409.db2.gz STTXKOGSVGLGSI-YZGWKJHDSA-N 2 0 368.481 1.716 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCC(C)CC3)C[C@H]2O)CC1 ZINC001078227370 898428994 /nfs/dbraw/zinc/42/89/94/898428994.db2.gz WWIJJGHXMJCRJT-OTGCGEFBSA-N 2 0 361.530 1.319 20 30 FDEDRP C=CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079135999 902005749 /nfs/dbraw/zinc/00/57/49/902005749.db2.gz ZKVFYZDRQDQAFS-CWJKEVGVSA-N 2 0 371.525 1.977 20 30 FDEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079242979 902339134 /nfs/dbraw/zinc/33/91/34/902339134.db2.gz DMBNKLKWHNPTDL-AKHDSKFASA-N 2 0 361.530 1.842 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC001082515809 908187523 /nfs/dbraw/zinc/18/75/23/908187523.db2.gz ZKOZYXKSZBUTQY-JSNMRZPZSA-N 2 0 370.472 1.976 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC001082559850 908613846 /nfs/dbraw/zinc/61/38/46/908613846.db2.gz QWAISDTUUOGUBE-CDHQVMDDSA-N 2 0 370.497 1.866 20 30 FDEDRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)C1 ZINC001082741781 909941817 /nfs/dbraw/zinc/94/18/17/909941817.db2.gz COCUMNNKSCHCEJ-MBOZVWFJSA-N 2 0 370.497 1.867 20 30 FDEDRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084773498 917028000 /nfs/dbraw/zinc/02/80/00/917028000.db2.gz SAIYYGHENFMMKK-VAMGGRTRSA-N 2 0 352.482 1.933 20 30 FDEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C[C@@H]21 ZINC001084957568 918841071 /nfs/dbraw/zinc/84/10/71/918841071.db2.gz HFPNSLLUGGUHGP-RLLQIKCJSA-N 2 0 359.514 1.576 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cncn4C)[C@H]3C2)CC1 ZINC001085100642 920916170 /nfs/dbraw/zinc/91/61/70/920916170.db2.gz SGZLSGAWQTXKRG-XLIONFOSSA-N 2 0 369.513 1.188 20 30 FDEDRP C#CCNc1nc(NCC(C)(C)[NH+](C)C)nc(NCC(C)(C)[NH+](C)C)n1 ZINC000804325331 928672623 /nfs/dbraw/zinc/67/26/23/928672623.db2.gz TYWQUVKVMTXWHD-UHFFFAOYSA-N 2 0 362.526 1.421 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129837572 938534970 /nfs/dbraw/zinc/53/49/70/938534970.db2.gz GEGAQSZMAHDTFR-KURKYZTESA-N 2 0 360.506 1.459 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@@H]1n1ccnn1 ZINC001129918814 938567552 /nfs/dbraw/zinc/56/75/52/938567552.db2.gz KDGRDXMZMXPJDF-MSOLQXFVSA-N 2 0 369.473 1.117 20 30 FDEDRP C=CCCCCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129985209 938596324 /nfs/dbraw/zinc/59/63/24/938596324.db2.gz RWGGQITYKDDVHD-MSOLQXFVSA-N 2 0 362.522 1.708 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCCCCC)C[C@@H]1n1ccnn1 ZINC001130044109 938643283 /nfs/dbraw/zinc/64/32/83/938643283.db2.gz QHSTYRZTYUMSLA-MSOLQXFVSA-N 2 0 360.506 1.155 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1c1cn(C)cn1 ZINC001130622206 939920873 /nfs/dbraw/zinc/92/08/73/939920873.db2.gz WYNLUFOIENFQNC-PKOBYXMFSA-N 2 0 362.437 1.289 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130654238 939947935 /nfs/dbraw/zinc/94/79/35/939947935.db2.gz BAGAJIBDILSZHL-FUHWJXTLSA-N 2 0 369.469 1.296 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130659830 939965842 /nfs/dbraw/zinc/96/58/42/939965842.db2.gz WFYVLKINADGVQO-PKOBYXMFSA-N 2 0 359.518 1.612 20 30 FDEDRP C#CCC[NH+]1CCC(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000747403960 940426634 /nfs/dbraw/zinc/42/66/34/940426634.db2.gz DIEVCIMOLITIFF-UHFFFAOYSA-N 2 0 369.513 1.198 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1cncn1C ZINC001131025877 940458984 /nfs/dbraw/zinc/45/89/84/940458984.db2.gz HYFYEXWUOFKICQ-IAGOWNOFSA-N 2 0 357.502 1.509 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131130174 940510781 /nfs/dbraw/zinc/51/07/81/940510781.db2.gz CEOOJOZWOUWXGU-QZTJIDSGSA-N 2 0 357.502 1.203 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131133045 940512663 /nfs/dbraw/zinc/51/26/63/940512663.db2.gz ZIDHVWLFLWAKGE-QWFCFKBJSA-N 2 0 371.529 1.448 20 30 FDEDRP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001131510694 940660515 /nfs/dbraw/zinc/66/05/15/940660515.db2.gz XKNXTLVPYXXNBM-QRVBRYPASA-N 2 0 367.509 1.675 20 30 FDEDRP C#CCNC(=O)CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000815117461 941780365 /nfs/dbraw/zinc/78/03/65/941780365.db2.gz NNKXGVVACYZXKO-HXUWFJFHSA-N 2 0 354.498 1.018 20 30 FDEDRP C[NH+]1CCN(c2cc(C[NH2+]C[C@H](O)c3ccc(C#N)cc3)ccn2)CC1 ZINC000818960876 943365969 /nfs/dbraw/zinc/36/59/69/943365969.db2.gz KERDTJMWMDWSQO-IBGZPJMESA-N 2 0 351.454 1.528 20 30 FDEDRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000819007143 943382867 /nfs/dbraw/zinc/38/28/67/943382867.db2.gz FJABOSYHHORYDW-HXUWFJFHSA-N 2 0 366.465 1.673 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1c1ccc(OC)cc1 ZINC001090874170 947522101 /nfs/dbraw/zinc/52/21/01/947522101.db2.gz CWRMPSVBLNAVJI-ZCNNSNEGSA-N 2 0 357.498 1.799 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1ccc(OC)cc1 ZINC001090874211 947523534 /nfs/dbraw/zinc/52/35/34/947523534.db2.gz GBEYJAOVIUMJJJ-RBUKOAKNSA-N 2 0 355.482 1.697 20 30 FDEDRP C#CCC[NH+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)c2)C1 ZINC001091400427 951572908 /nfs/dbraw/zinc/57/29/08/951572908.db2.gz JAWUOOQPAILCBV-LSTHTHJFSA-N 2 0 370.497 1.514 20 30 FDEDRP NC(=O)c1ccc(C(=[NH2+])Nc2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)cc1 ZINC001171258938 951728445 /nfs/dbraw/zinc/72/84/45/951728445.db2.gz QUGUFANZLGNVST-UHFFFAOYSA-N 3 0 365.481 1.993 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1c1cnn(C)c1 ZINC001086985937 953004824 /nfs/dbraw/zinc/00/48/24/953004824.db2.gz MBHFKDCEOBADSC-OTWHNJEPSA-N 2 0 357.502 1.058 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1c1cnn(C)c1 ZINC001087010609 953101817 /nfs/dbraw/zinc/10/18/17/953101817.db2.gz JDDQANWBIUNMRP-VQTJNVASSA-N 2 0 367.497 1.866 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093195431 957759563 /nfs/dbraw/zinc/75/95/63/957759563.db2.gz QXMDRSBBWWVDAA-UWWQBHOKSA-N 2 0 358.461 1.833 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001094219157 960035989 /nfs/dbraw/zinc/03/59/89/960035989.db2.gz FRVBTNVWMBQDEE-HHXXYDBFSA-N 2 0 370.497 1.703 20 30 FDEDRP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)cc1C#N ZINC001094219288 960036802 /nfs/dbraw/zinc/03/68/02/960036802.db2.gz IEUOONLWUFGNPH-SZVBFZGTSA-N 2 0 370.497 1.703 20 30 FDEDRP C=C(C[NH+]1CCCC1)C(=O)N(c1nc(C)cc(OC)n1)C1CC[NH2+]CC1 ZINC001183044063 962757786 /nfs/dbraw/zinc/75/77/86/962757786.db2.gz BVHADVIHIIHXKR-UHFFFAOYSA-N 2 0 359.474 1.531 20 30 FDEDRP COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)CC[NH+](C)C)[C@@H]3C2)cc1C#N ZINC001189034843 966709659 /nfs/dbraw/zinc/70/96/59/966709659.db2.gz PBDDZKQFOMLWAZ-FUHWJXTLSA-N 2 0 356.470 1.551 20 30 FDEDRP C[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000852873551 967680117 /nfs/dbraw/zinc/68/01/17/967680117.db2.gz YMDOHEUWAUKJPQ-INIZCTEOSA-N 2 0 372.488 1.758 20 30 FDEDRP C=CCN(CC=C)C(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190237740 967683566 /nfs/dbraw/zinc/68/35/66/967683566.db2.gz FEWYULFPEIUJPV-KZNAEPCWSA-N 2 0 362.518 1.060 20 30 FDEDRP C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[N@@H+]1CCc2ccccc2C1 ZINC000884205098 982980912 /nfs/dbraw/zinc/98/09/12/982980912.db2.gz MMEDHNVHBRGZPG-PJABQADQSA-N 2 0 352.482 1.689 20 30 FDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)C2 ZINC000884401292 983138936 /nfs/dbraw/zinc/13/89/36/983138936.db2.gz KFLKFPIBKFLZLC-XTBIFASLSA-N 2 0 368.481 1.009 20 30 FDEDRP C#CCN(C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)C1CC[NH+](C)CC1 ZINC000923623064 986335003 /nfs/dbraw/zinc/33/50/03/986335003.db2.gz CJARBKJRICPODU-UHFFFAOYSA-N 2 0 358.490 1.711 20 30 FDEDRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000363455792 989214353 /nfs/dbraw/zinc/21/43/53/989214353.db2.gz GRESSRZOFOGLLY-PMACEKPBSA-N 2 0 372.513 1.257 20 30 FDEDRP N#Cc1cccc(CNC(=O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000363633652 989357169 /nfs/dbraw/zinc/35/71/69/989357169.db2.gz HEPUHNZAADIWSI-UHFFFAOYSA-N 2 0 370.497 1.609 20 30 FDEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C2 ZINC001095430071 990267112 /nfs/dbraw/zinc/26/71/12/990267112.db2.gz CUJVOJWSGOQZFM-SLHNCBLASA-N 2 0 359.514 1.478 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000876767836 992891688 /nfs/dbraw/zinc/89/16/88/992891688.db2.gz PZYIKHXZMYZTDI-JXFKEZNVSA-N 2 0 368.481 1.362 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877327847 993212238 /nfs/dbraw/zinc/21/22/38/993212238.db2.gz XYOPVHLTOFVKGC-FUHWJXTLSA-N 2 0 354.454 1.020 20 30 FDEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1 ZINC001095556458 993444536 /nfs/dbraw/zinc/44/45/36/993444536.db2.gz SAWDMIDSADRKAL-ANULTFPQSA-N 2 0 362.477 1.877 20 30 FDEDRP N#Cc1cc(C[NH+]2CCC[C@H](CO)C2)cc(C[N@H+]2CCC[C@@H](CO)C2)c1 ZINC000877935477 993561238 /nfs/dbraw/zinc/56/12/38/993561238.db2.gz NWMYJOMABCJREC-HDICACEKSA-N 2 0 357.498 1.967 20 30 FDEDRP COCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)CC1CC[NH+](C)CC1 ZINC000879125104 994558028 /nfs/dbraw/zinc/55/80/28/994558028.db2.gz PGHHKPGXMAQILS-UHFFFAOYSA-N 2 0 358.486 1.465 20 30 FDEDRP C[NH+]1CCN(C2CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2)CC1 ZINC000879591658 995059885 /nfs/dbraw/zinc/05/98/85/995059885.db2.gz RVLCKHFGLIOHNY-HXUWFJFHSA-N 2 0 372.513 1.204 20 30 FDEDRP COc1ccc(NC(=[NH2+])NCc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000264080799 997398137 /nfs/dbraw/zinc/39/81/37/997398137.db2.gz ILQLIPRALNQHQU-UHFFFAOYSA-N 2 0 354.458 1.769 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(-n2nc(C)cc2C)nc1 ZINC000264090042 997401274 /nfs/dbraw/zinc/40/12/74/997401274.db2.gz KSWIHMXBQCCBDM-KRWDZBQOSA-N 2 0 355.490 1.773 20 30 FDEDRP COc1ccccc1CNC(=[NH2+])NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000264329909 997464100 /nfs/dbraw/zinc/46/41/00/997464100.db2.gz ZSEBPYBPHHLLSL-INIZCTEOSA-N 2 0 361.490 1.042 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1cccc(C)c1)N1CCOCC1 ZINC000104166701 998311326 /nfs/dbraw/zinc/31/13/26/998311326.db2.gz DLPBTBXDZJPKDI-PMACEKPBSA-N 2 0 373.545 1.757 20 30 FDEDRP CC1CCN(C(=[NH2+])NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000267469438 999344053 /nfs/dbraw/zinc/34/40/53/999344053.db2.gz XHINTCBNGAVKHX-LJQANCHMSA-N 2 0 371.529 1.931 20 30 FDEDRP C=C(C[NH+](C)C)C(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000927840785 1001096825 /nfs/dbraw/zinc/09/68/25/1001096825.db2.gz ADCMRKDLVRAEBT-UHFFFAOYSA-N 2 0 354.495 1.210 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CC1 ZINC000928656832 1001612558 /nfs/dbraw/zinc/61/25/58/1001612558.db2.gz FAOMETIGACMVMM-UHFFFAOYSA-N 2 0 369.509 1.718 20 30 FDEDRP CCOCCCNC(=[NH2+])NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000303883944 1009672000 /nfs/dbraw/zinc/67/20/00/1009672000.db2.gz IXDWZCSVSSZAGG-UHFFFAOYSA-N 2 0 361.534 1.655 20 30 FDEDRP [NH2+]=C(NCCc1ccccc1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000303892625 1009679239 /nfs/dbraw/zinc/67/92/39/1009679239.db2.gz NSYKYNJKKSBQHV-HXUWFJFHSA-N 2 0 352.482 1.553 20 30 FDEDRP C[NH+](C)CCC1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528353802 539752068 /nfs/dbraw/zinc/75/20/68/539752068.db2.gz NSQZUKZBNIQOGR-UHFFFAOYSA-N 2 0 353.466 1.950 20 30 FDEDRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC3(C#N)CC[NH+](C)CC3)cc2)CC1 ZINC000536790418 540650655 /nfs/dbraw/zinc/65/06/55/540650655.db2.gz LFGGPIQXUULHER-UHFFFAOYSA-N 2 0 369.513 1.935 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000553329867 543610394 /nfs/dbraw/zinc/61/03/94/543610394.db2.gz RVVMYVFHYFZLKF-QFBILLFUSA-N 2 0 374.529 1.228 20 30 FDEDRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000333833890 259385670 /nfs/dbraw/zinc/38/56/70/259385670.db2.gz MZALSWPTDIAKLJ-VQIMIIECSA-N 2 0 355.486 1.774 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000073436758 522524789 /nfs/dbraw/zinc/52/47/89/522524789.db2.gz SYRGVYLXNWFRBT-UHFFFAOYSA-N 2 0 356.514 1.965 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC000074132442 522689134 /nfs/dbraw/zinc/68/91/34/522689134.db2.gz NMRQYQDTXQFIJR-KRWDZBQOSA-N 2 0 351.539 1.210 20 30 FDEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000075007899 522865104 /nfs/dbraw/zinc/86/51/04/522865104.db2.gz YMINBJIJFJTTCB-HNNXBMFYSA-N 2 0 354.495 1.210 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000081355645 524107378 /nfs/dbraw/zinc/10/73/78/524107378.db2.gz JLRVMYYJPGWKFI-UHFFFAOYSA-N 2 0 357.502 1.360 20 30 FDEDRP Cc1cccc(NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1C#N ZINC000174690417 524691455 /nfs/dbraw/zinc/69/14/55/524691455.db2.gz VULHASNRDUHXSE-UHFFFAOYSA-N 2 0 373.501 1.537 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000178727327 525472562 /nfs/dbraw/zinc/47/25/62/525472562.db2.gz WJBSUMPKLVUCLR-OALUTQOASA-N 2 0 364.534 1.704 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CC1 ZINC000106340814 525696647 /nfs/dbraw/zinc/69/66/47/525696647.db2.gz QEAYNBXFULQXQH-UHFFFAOYSA-N 2 0 365.566 1.694 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)CC1 ZINC000185685971 536215148 /nfs/dbraw/zinc/21/51/48/536215148.db2.gz RBDNYNSAYLMLRO-QGZVFWFLSA-N 2 0 351.539 1.352 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccn(-c2ccc(OC)cc2)n1 ZINC000264106105 537137832 /nfs/dbraw/zinc/13/78/32/537137832.db2.gz PKRCBNKNNAJFIZ-KRWDZBQOSA-N 2 0 356.474 1.770 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000190988503 537193493 /nfs/dbraw/zinc/19/34/93/537193493.db2.gz ABOXIQFVGQKLHT-OAQYLSRUSA-N 2 0 369.509 1.739 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000422292640 538216709 /nfs/dbraw/zinc/21/67/09/538216709.db2.gz HMZTTWPRCJSZOD-KRWDZBQOSA-N 2 0 350.507 1.084 20 30 FDEDRP C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424152608 538246695 /nfs/dbraw/zinc/24/66/95/538246695.db2.gz IRVGATHPEQXTQD-MRXNPFEDSA-N 2 0 357.458 1.424 20 30 FDEDRP CN(CCC[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1)CC[NH+](C)C ZINC000566526055 547794083 /nfs/dbraw/zinc/79/40/83/547794083.db2.gz FDYNHGFIIBMMQS-UHFFFAOYSA-N 2 0 351.539 1.487 20 30 FDEDRP CN(CCC#N)C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000567378284 548098335 /nfs/dbraw/zinc/09/83/35/548098335.db2.gz WCELQJAKFFWHNS-OTYNDTSQSA-N 2 0 356.514 1.978 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC000568055872 548381197 /nfs/dbraw/zinc/38/11/97/548381197.db2.gz NOQNSDYUZCWQGN-UHFFFAOYSA-N 2 0 359.478 1.048 20 30 FDEDRP N#Cc1ccc(N2CCC([NH2+]Cc3nnc(C4CC[NH2+]CC4)[nH]3)CC2)cc1 ZINC000571515053 549671800 /nfs/dbraw/zinc/67/18/00/549671800.db2.gz NPVDSAFENFAIMV-UHFFFAOYSA-N 2 0 365.485 1.902 20 30 FDEDRP N#CCc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000591756038 551906206 /nfs/dbraw/zinc/90/62/06/551906206.db2.gz JUMINXIRNWZVOC-HLAWJBBLSA-N 2 0 373.497 1.460 20 30 FDEDRP COCC[N@H+](C)CCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593339153 552092223 /nfs/dbraw/zinc/09/22/23/552092223.db2.gz FMMBLPCUAPOYIR-UHFFFAOYSA-N 2 0 373.501 1.400 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000593713825 552180749 /nfs/dbraw/zinc/18/07/49/552180749.db2.gz AWLCFFBJGXYPRR-GOSISDBHSA-N 2 0 355.486 1.964 20 30 FDEDRP N#Cc1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)nc1N[C@@H]1CC[NH+](C2CC2)C1 ZINC000596091102 552654193 /nfs/dbraw/zinc/65/41/93/552654193.db2.gz HVZQMYXOMJGMSW-JKSUJKDBSA-N 2 0 352.486 2.250 20 30 FDEDRP C[NH+](C)CCC[C@@H]1CN(CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000625564009 556855640 /nfs/dbraw/zinc/85/56/40/556855640.db2.gz XGOWQDUMLYDOCJ-QGZVFWFLSA-N 2 0 369.465 1.329 20 30 FDEDRP C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000643255268 568404745 /nfs/dbraw/zinc/40/47/45/568404745.db2.gz ACGLITADNCZQDZ-UHFFFAOYSA-N 2 0 350.551 1.903 20 30 FDEDRP C[NH+]=C(NCC1(SC)CCOCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000130713583 671796879 /nfs/dbraw/zinc/79/68/79/671796879.db2.gz WWNWYUJVSMMRPG-INIZCTEOSA-N 2 0 354.564 1.892 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000246932412 672520826 /nfs/dbraw/zinc/52/08/26/672520826.db2.gz HCWIFCSRMDIEES-LSDHHAIUSA-N 2 0 353.511 1.775 20 30 FDEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N(C)Cc1cc(Br)cn1C ZINC000261790656 672672894 /nfs/dbraw/zinc/67/28/94/672672894.db2.gz QJECDIFASDQTLV-GFCCVEGCSA-N 2 0 356.312 1.747 20 30 FDEDRP CC[NH+]=C(NC[C@H](C)N1CC[NH+](CC)CC1)N1CC[C@]2(CCOC2)C1 ZINC000262004516 672710548 /nfs/dbraw/zinc/71/05/48/672710548.db2.gz VFLRUCYGBGDALC-HKUYNNGSSA-N 2 0 351.539 1.090 20 30 FDEDRP CC[NH+]=C(NC[C@]1(O)CCSC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000262381813 672780198 /nfs/dbraw/zinc/78/01/98/672780198.db2.gz KONJONLLNIVEJU-SJLPKXTDSA-N 2 0 354.564 1.628 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)c1cc(OC)ccc1OC ZINC000264083945 672900831 /nfs/dbraw/zinc/90/08/31/672900831.db2.gz IHQKOPGYIGUTEH-CZUORRHYSA-N 2 0 350.463 1.126 20 30 FDEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000329810896 676658016 /nfs/dbraw/zinc/65/80/16/676658016.db2.gz RAFPKBCNBKRWOO-VKJFTORMSA-N 2 0 350.507 1.474 20 30 FDEDRP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000526136065 694644855 /nfs/dbraw/zinc/64/48/55/694644855.db2.gz WKVCJLDREPQLAS-UHFFFAOYSA-N 2 0 350.507 1.619 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)CC[N@@H+]1C ZINC001022104718 777949074 /nfs/dbraw/zinc/94/90/74/777949074.db2.gz BEPUCEFZKRAAFY-VYCZESIESA-N 2 0 356.470 1.666 20 30 FDEDRP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4ccnc4)c3)[C@H]2C1 ZINC001083239021 781725980 /nfs/dbraw/zinc/72/59/80/781725980.db2.gz OTNMVKOQUQVMME-RBUKOAKNSA-N 2 0 352.438 1.974 20 30 FDEDRP COc1ccc(C#N)cc1CN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001027892451 806874182 /nfs/dbraw/zinc/87/41/82/806874182.db2.gz WDTOBPVZBSEUQN-AYOQOUSVSA-N 2 0 370.497 1.988 20 30 FDEDRP C[NH+]1CC[C@]2(C1)CCCN(CC#CCN1CCC[C@@]3(CC[N@@H+](C)C3)C1)C2 ZINC000660665572 801007566 /nfs/dbraw/zinc/00/75/66/801007566.db2.gz WODDQRUCDDMFRU-VXKWHMMOSA-N 2 0 358.574 1.825 20 30 FDEDRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@H]([NH3+])CCCC#N)cc2)C[C@H](C)O1 ZINC000424136692 815315570 /nfs/dbraw/zinc/31/55/70/815315570.db2.gz REOLBTRGKKAJCW-JTDSTZFVSA-N 2 0 358.486 1.933 20 30 FDEDRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cc2)C[C@H](C)O1 ZINC000424136688 815316048 /nfs/dbraw/zinc/31/60/48/815316048.db2.gz REOLBTRGKKAJCW-FCEWJHQRSA-N 2 0 358.486 1.933 20 30 FDEDRP C[NH+]=C(NCc1ccc(N2CC[NH+](C)CC2)nc1)N(C)Cc1ccon1 ZINC000261848294 811331596 /nfs/dbraw/zinc/33/15/96/811331596.db2.gz XRIYRVKJCQSTTM-UHFFFAOYSA-N 2 0 357.462 1.029 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC[C@H]3CCCO3)[C@@H]2CC)CC1 ZINC001087840138 822559219 /nfs/dbraw/zinc/55/92/19/822559219.db2.gz JKBXPXMNXVSCPX-HSALFYBXSA-N 2 0 361.530 1.870 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4cc(C)no4)CC[C@@H]3C2)CC1 ZINC001088212217 827493569 /nfs/dbraw/zinc/49/35/69/827493569.db2.gz WBMRFVMXSBGWPU-MOPGFXCFSA-N 2 0 370.497 1.609 20 30 FDEDRP C#CCN(C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)C1CC[NH+](C)CC1 ZINC000925168447 828304298 /nfs/dbraw/zinc/30/42/98/828304298.db2.gz BBUKZURJUBUZLB-DLBZAZTESA-N 2 0 350.532 1.305 20 30 FDEDRP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105669203 844145658 /nfs/dbraw/zinc/14/56/58/844145658.db2.gz PUMOOUAAQZAEFD-IZBJGVDFSA-N 2 0 351.535 1.870 20 30 FDEDRP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)[N@@H+](C)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105641871 842307076 /nfs/dbraw/zinc/30/70/76/842307076.db2.gz FJMOTEDJLSBQGO-WOCWXWTJSA-N 2 0 351.535 1.869 20 30 FDEDRP C=C(C)C[C@H](NC(C)=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000667680909 845324831 /nfs/dbraw/zinc/32/48/31/845324831.db2.gz VUMGVNUWJFHAKN-IBGZPJMESA-N 2 0 373.501 1.181 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]1NC(=O)C(=C)CC[NH+](C)C ZINC000907731723 854579930 /nfs/dbraw/zinc/57/99/30/854579930.db2.gz HQHMEXDYIVKVLC-CALCHBBNSA-N 2 0 350.507 1.156 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000908144556 855091122 /nfs/dbraw/zinc/09/11/22/855091122.db2.gz ICGFRUOXYUMMCY-OAQYLSRUSA-N 2 0 370.541 1.913 20 30 FDEDRP C[NH+](C)CCCCC(=O)N1CCN(C(=O)CCCC[NH+](C)C)[C@@H](C#N)C1 ZINC000912535983 859872177 /nfs/dbraw/zinc/87/21/77/859872177.db2.gz PZKHKEIOVMXWEM-KRWDZBQOSA-N 2 0 365.522 1.013 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)Cc1csc(C#N)c1 ZINC000913831814 869730974 /nfs/dbraw/zinc/73/09/74/869730974.db2.gz AIIROCSOJKRIGN-UHFFFAOYSA-N 2 0 372.560 1.655 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000913871359 869841749 /nfs/dbraw/zinc/84/17/49/869841749.db2.gz BKCTWEJCJLDSJM-UHFFFAOYSA-N 2 0 362.518 1.418 20 30 FDEDRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC001106622844 876250470 /nfs/dbraw/zinc/25/04/70/876250470.db2.gz TZJJJHUKPVSKON-SJLPKXTDSA-N 2 0 358.486 1.725 20 30 FDEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129071600 885693142 /nfs/dbraw/zinc/69/31/42/885693142.db2.gz FUKZTGZVWZBFCR-KURKYZTESA-N 2 0 364.538 1.930 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000923375508 889044091 /nfs/dbraw/zinc/04/40/91/889044091.db2.gz NHONJFAEMWGCLI-HBFSDRIKSA-N 2 0 359.470 1.516 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000923377994 889051495 /nfs/dbraw/zinc/05/14/95/889051495.db2.gz FNGQKDPVTSATAZ-QWFCFKBJSA-N 2 0 359.470 1.516 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000672357388 893197856 /nfs/dbraw/zinc/19/78/56/893197856.db2.gz VHWWXRBNQOMVPH-QGZVFWFLSA-N 2 0 350.507 1.132 20 30 FDEDRP C#CC[NH+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000995267918 897652661 /nfs/dbraw/zinc/65/26/61/897652661.db2.gz QNEUIMJQDJZJNR-YZGWKJHDSA-N 2 0 354.498 1.706 20 30 FDEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001107034354 899838052 /nfs/dbraw/zinc/83/80/52/899838052.db2.gz WTHDCLFXFDYLHQ-IEBWSBKVSA-N 2 0 357.498 1.696 20 30 FDEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001107037632 900019373 /nfs/dbraw/zinc/01/93/73/900019373.db2.gz YLHUNHIERJEWCR-VAMGGRTRSA-N 2 0 363.546 1.831 20 30 FDEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](OC)C1 ZINC001081932410 905373249 /nfs/dbraw/zinc/37/32/49/905373249.db2.gz CVDQVAKJOMBHKF-QZTJIDSGSA-N 2 0 355.442 1.663 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1c1ccccc1 ZINC001081118684 907223927 /nfs/dbraw/zinc/22/39/27/907223927.db2.gz QEYVOLLWAGRGRV-AZUAARDMSA-N 2 0 367.497 1.829 20 30 FDEDRP C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001082515534 908184423 /nfs/dbraw/zinc/18/44/23/908184423.db2.gz QHKNEWRTLANMOF-KCPJHIHWSA-N 2 0 356.308 1.673 20 30 FDEDRP C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C)C1=O ZINC001082620590 909123912 /nfs/dbraw/zinc/12/39/12/909123912.db2.gz FXBHFVZHKQXZQO-ZTFGCOKTSA-N 2 0 367.453 1.171 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3oc(C)nc3C)C2)CC1 ZINC001082941561 911018163 /nfs/dbraw/zinc/01/81/63/911018163.db2.gz XRTTYNFRTZHKSP-RDTXWAMCSA-N 2 0 358.486 1.573 20 30 FDEDRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084775734 917001492 /nfs/dbraw/zinc/00/14/92/917001492.db2.gz RZIIULOEWZOENB-VAMGGRTRSA-N 2 0 352.482 1.933 20 30 FDEDRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccccc4C#N)[C@H]3C2)C1 ZINC001085092667 920805149 /nfs/dbraw/zinc/80/51/49/920805149.db2.gz LCLIXBXRCSBDNT-UXPWSPDFSA-N 2 0 352.482 1.933 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)CCC)C2 ZINC001112567873 931646397 /nfs/dbraw/zinc/64/63/97/931646397.db2.gz MCZPONDKSBKJCE-ZWOKBUDYSA-N 2 0 364.534 1.237 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001112586351 931773458 /nfs/dbraw/zinc/77/34/58/931773458.db2.gz VKYCLFJTUAUJAO-UWVAXJGDSA-N 2 0 364.534 1.236 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1n1ccnn1 ZINC001129925264 938570831 /nfs/dbraw/zinc/57/08/31/938570831.db2.gz XCYBLPPAMUSSMD-SJORKVTESA-N 2 0 358.490 1.214 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@@H]1n1ccnn1 ZINC001130033711 938634257 /nfs/dbraw/zinc/63/42/57/938634257.db2.gz BMGFZHLHAYYSPY-KURKYZTESA-N 2 0 360.506 1.460 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1c1cn(C)cn1 ZINC001130605204 939916747 /nfs/dbraw/zinc/91/67/47/939916747.db2.gz YXGACQGQDIVBCQ-UHOSZYNNSA-N 2 0 357.502 1.202 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130654258 939947946 /nfs/dbraw/zinc/94/79/46/939947946.db2.gz BYDMZVBHJPLLGM-FUHWJXTLSA-N 2 0 369.469 1.296 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130692627 939981353 /nfs/dbraw/zinc/98/13/53/939981353.db2.gz UWPBFOFHGJJKBG-UHOSZYNNSA-N 2 0 361.534 1.857 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cn(C)cn1 ZINC001130712996 940000185 /nfs/dbraw/zinc/00/01/85/940000185.db2.gz XNWMBIFTKRBAKP-FUHWJXTLSA-N 2 0 357.502 1.366 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001130988699 940410703 /nfs/dbraw/zinc/41/07/03/940410703.db2.gz KCDJJQCUKFUBQB-KURKYZTESA-N 2 0 359.518 1.753 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1c1cncn1C ZINC001131015203 940448708 /nfs/dbraw/zinc/44/87/08/940448708.db2.gz RMJNMYYJFUCTLU-QZTJIDSGSA-N 2 0 369.513 1.203 20 30 FDEDRP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001131495788 940647030 /nfs/dbraw/zinc/64/70/30/940647030.db2.gz DZIJCVWWVOMFIF-AQNXPRMDSA-N 2 0 359.514 1.337 20 30 FDEDRP CN(CCC#N)C[C@H](O)CNc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000819468849 943604120 /nfs/dbraw/zinc/60/41/20/943604120.db2.gz WCPXXPNUYZWVJC-QGZVFWFLSA-N 2 0 360.502 1.434 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1c1ccc(OC)cc1 ZINC001090871375 947434523 /nfs/dbraw/zinc/43/45/23/947434523.db2.gz QUDLAOIFXKOLPP-PWRODBHTSA-N 2 0 367.493 1.554 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1c1cnn(C)c1 ZINC001086985936 953004542 /nfs/dbraw/zinc/00/45/42/953004542.db2.gz MBHFKDCEOBADSC-IPMKNSEASA-N 2 0 357.502 1.058 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001087000913 953053096 /nfs/dbraw/zinc/05/30/96/953053096.db2.gz VCMRVKKKPDUJFO-IPMKNSEASA-N 2 0 357.502 1.200 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(C)C)C2)CC1 ZINC001087010531 953101884 /nfs/dbraw/zinc/10/18/84/953101884.db2.gz FUMXXZIGGWFPAQ-VQTJNVASSA-N 2 0 371.529 1.305 20 30 FDEDRP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196804418 971922438 /nfs/dbraw/zinc/92/24/38/971922438.db2.gz XLBBLFIUCLBUOE-QZTJIDSGSA-N 2 0 365.522 1.190 20 30 FDEDRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ccc(C#N)s4)C[C@@]3(C)C2)C1 ZINC001092274034 954660456 /nfs/dbraw/zinc/66/04/56/954660456.db2.gz ZFPDFVUBKJNWSE-CLCXKQKWSA-N 2 0 358.511 1.852 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3cc(C)no3)C[C@H]2C)CC1 ZINC001093223152 957851480 /nfs/dbraw/zinc/85/14/80/957851480.db2.gz UWJUCUSWYHGBNH-CRAIPNDOSA-N 2 0 358.486 1.512 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@]3(C[C@@H](O)[C@H]([NH2+]CC)C3)[C@H]2C(C)C)CC1 ZINC001093480782 958305421 /nfs/dbraw/zinc/30/54/21/958305421.db2.gz OPDVTORUWICRPU-XCJLJZCSSA-N 2 0 361.530 1.318 20 30 FDEDRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001094169782 959962792 /nfs/dbraw/zinc/96/27/92/959962792.db2.gz VAXUGHFLKJLVKT-CRAIPNDOSA-N 2 0 370.472 1.977 20 30 FDEDRP C=CCOC1CCC([NH2+]CCOCCOCCOCCOCC[NH3+])CC1 ZINC001173316354 962017083 /nfs/dbraw/zinc/01/70/83/962017083.db2.gz HLTAMKSZMJYAHD-UHFFFAOYSA-N 2 0 374.522 1.115 20 30 FDEDRP COC(=O)[C@@H]1C[C@@H]([NH+]=C(C)NCc2cccc(C[NH3+])c2)C[C@@H]1C(=O)OC ZINC001173570122 962384859 /nfs/dbraw/zinc/38/48/59/962384859.db2.gz BXKNTUHAVYYWJG-OSYLJGHBSA-N 2 0 361.442 1.394 20 30 FDEDRP C=C(C[NH+]1CCCC1)C(=O)N[C@@]1(C(=O)OC)CC[N@H+](Cc2ccccc2)C1 ZINC001183085908 962783726 /nfs/dbraw/zinc/78/37/26/962783726.db2.gz MTFOEKMWDQFLHM-NRFANRHFSA-N 2 0 371.481 1.572 20 30 FDEDRP C[NH+](C)CCn1cc(Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)cn1 ZINC001176447904 963447939 /nfs/dbraw/zinc/44/79/39/963447939.db2.gz ZOQBVQJUYMGOCQ-UHFFFAOYSA-N 2 0 353.474 1.812 20 30 FDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC12CCOCC2 ZINC001186381966 964486872 /nfs/dbraw/zinc/48/68/72/964486872.db2.gz MUVYYZDRXXPHJK-CEXWTWQISA-N 2 0 361.530 1.585 20 30 FDEDRP O=C(C#CC1CC[NH2+]CC1)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000852793717 967612274 /nfs/dbraw/zinc/61/22/74/967612274.db2.gz DTYKENSQVSADKK-UHFFFAOYSA-N 2 0 355.438 1.537 20 30 FDEDRP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190323736 967750618 /nfs/dbraw/zinc/75/06/18/967750618.db2.gz CXAOENIQXUXVQO-OKZBNKHCSA-N 2 0 362.518 1.086 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000865194248 974174873 /nfs/dbraw/zinc/17/48/73/974174873.db2.gz SKYHFBSYGOTQNT-INIZCTEOSA-N 2 0 368.522 1.598 20 30 FDEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CCCO1 ZINC001201454940 975055490 /nfs/dbraw/zinc/05/54/90/975055490.db2.gz VQIOANMNCGYSEG-ZCNNSNEGSA-N 2 0 355.482 1.172 20 30 FDEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000851662229 978988598 /nfs/dbraw/zinc/98/85/98/978988598.db2.gz TVZWGJPRMDHCKK-OALUTQOASA-N 2 0 358.486 1.395 20 30 FDEDRP C#CCN1CCC[C@@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000884063713 982798526 /nfs/dbraw/zinc/79/85/26/982798526.db2.gz JHAADWNMSJSZFJ-LJQANCHMSA-N 2 0 355.486 1.443 20 30 FDEDRP C[NH+](C)CCOc1ccc(CCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1 ZINC000884211493 982987818 /nfs/dbraw/zinc/98/78/18/982987818.db2.gz GAJIJZXFDKADFD-WBTXTPOCSA-N 2 0 370.497 1.425 20 30 FDEDRP COC1CC[NH+](C2(CNC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CCCC2)CC1 ZINC000884217530 982992299 /nfs/dbraw/zinc/99/22/99/982992299.db2.gz OXJYQAJMKAEUAX-GNZRSQJKSA-N 2 0 374.529 1.666 20 30 FDEDRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884406165 983140984 /nfs/dbraw/zinc/14/09/84/983140984.db2.gz NHWZIDQIKCQLRL-KBNVZVJVSA-N 2 0 366.509 1.901 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[N@@H+](C3CCOCC3)CC2)CC1 ZINC000369524919 989058478 /nfs/dbraw/zinc/05/84/78/989058478.db2.gz IPKFHIHCYLXCAK-UHFFFAOYSA-N 2 0 364.534 1.923 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000363398645 989164241 /nfs/dbraw/zinc/16/42/41/989164241.db2.gz MQNBVCRZAGFOMY-IBGZPJMESA-N 2 0 354.498 1.755 20 30 FDEDRP C[C@@H]1C[NH+](CCCCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@@H](C)O1 ZINC000876731057 992845793 /nfs/dbraw/zinc/84/57/93/992845793.db2.gz NGLRZMDHYQSGEE-QINHECLXSA-N 2 0 370.497 1.751 20 30 FDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000876779478 992904601 /nfs/dbraw/zinc/90/46/01/992904601.db2.gz GLWBGDZCFLFOIB-QGZVFWFLSA-N 2 0 350.894 1.390 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000876973990 992991607 /nfs/dbraw/zinc/99/16/07/992991607.db2.gz UWCGMBWSOJXGHU-IEBWSBKVSA-N 2 0 354.454 1.115 20 30 FDEDRP COc1ccc(NC(=[NH2+])NCc2cccc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000264086863 997399806 /nfs/dbraw/zinc/39/98/06/997399806.db2.gz JQAUJOFOJAYLTP-UHFFFAOYSA-N 2 0 369.469 1.913 20 30 FDEDRP COc1ccccc1CNC(=[NH2+])NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000264329911 997463823 /nfs/dbraw/zinc/46/38/23/997463823.db2.gz ZSEBPYBPHHLLSL-MRXNPFEDSA-N 2 0 361.490 1.042 20 30 FDEDRP COc1ccc(N2CC[NH+](CCCNC(=[NH2+])NCC3CCC3)CC2)cc1 ZINC000104157449 998309122 /nfs/dbraw/zinc/30/91/22/998309122.db2.gz VYLVRIFZPRZYIF-UHFFFAOYSA-N 2 0 359.518 1.912 20 30 FDEDRP COc1ccc(CCNC(=[NH2+])NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000267429253 999332941 /nfs/dbraw/zinc/33/29/41/999332941.db2.gz MHVYHUWBBTVODT-UHFFFAOYSA-N 2 0 360.502 1.787 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCN1C(=O)c2ccccc2C1=O ZINC000267439775 999336022 /nfs/dbraw/zinc/33/60/22/999336022.db2.gz OWNQQDODSSJPBQ-HNNXBMFYSA-N 2 0 371.485 1.451 20 30 FDEDRP C[NH+]1CCC([C@H]2CC[N@@H+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C2)CC1 ZINC000270032255 999502489 /nfs/dbraw/zinc/50/24/89/999502489.db2.gz DRAWZFAQYIRRPA-HKUYNNGSSA-N 2 0 366.465 1.854 20 30 FDEDRP [NH2+]=C(NCCCN1CCOCC1)NCc1ccn(Cc2ccccc2)n1 ZINC000284182716 999778913 /nfs/dbraw/zinc/77/89/13/999778913.db2.gz XSLKMQNJPTUIIQ-UHFFFAOYSA-N 2 0 356.474 1.058 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@]1(COC)OCCc2ccccc21 ZINC000290691931 1000153515 /nfs/dbraw/zinc/15/35/15/1000153515.db2.gz RETHJARLCRZXTB-PXNSSMCTSA-N 2 0 360.502 1.490 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000303782550 1009582098 /nfs/dbraw/zinc/58/20/98/1009582098.db2.gz NJESPUGYVKYHDE-GASCZTMLSA-N 2 0 369.510 1.011 20 30 FDEDRP C[C@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC000303879499 1009647016 /nfs/dbraw/zinc/64/70/16/1009647016.db2.gz JPNRYQQNMLLKKJ-MRXNPFEDSA-N 2 0 367.538 1.976 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000304771496 1010489256 /nfs/dbraw/zinc/48/92/56/1010489256.db2.gz AELRDUNWEHPDRX-SFHVURJKSA-N 2 0 358.465 1.943 20 30 FDEDRP C=CCNC(=O)NC(=O)C[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000538950039 540913150 /nfs/dbraw/zinc/91/31/50/540913150.db2.gz SHBUQACSDZOSNX-UHFFFAOYSA-N 2 0 350.507 1.832 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)N(CC)C[C@H]2C)CC1 ZINC000553326671 543609906 /nfs/dbraw/zinc/60/99/06/543609906.db2.gz BIOPKOLLJVXTFO-JKSUJKDBSA-N 2 0 350.507 1.084 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CCC)C2)CC1 ZINC000553395542 543625812 /nfs/dbraw/zinc/62/58/12/543625812.db2.gz KWTINMJSALPUKM-KRWDZBQOSA-N 2 0 364.534 1.333 20 30 FDEDRP C[C@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000331379041 259190686 /nfs/dbraw/zinc/19/06/86/259190686.db2.gz FRDXQRRDIPJRNH-PXNSSMCTSA-N 2 0 369.513 1.845 20 30 FDEDRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000333833887 259385270 /nfs/dbraw/zinc/38/52/70/259385270.db2.gz MZALSWPTDIAKLJ-LPHOPBHVSA-N 2 0 355.486 1.774 20 30 FDEDRP C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378290701 262001970 /nfs/dbraw/zinc/00/19/70/262001970.db2.gz HEFZCTGPTBQKKK-HXUWFJFHSA-N 2 0 369.513 1.987 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000074130162 522688189 /nfs/dbraw/zinc/68/81/89/522688189.db2.gz GIOMIWYASNFDIJ-SFHVURJKSA-N 2 0 352.523 1.779 20 30 FDEDRP C[NH+]=C(NCc1cn(C)nc1C(F)(F)F)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000158235368 524426542 /nfs/dbraw/zinc/42/65/42/524426542.db2.gz ILJSQYIYWVKDSK-YPMHNXCESA-N 2 0 360.428 1.833 20 30 FDEDRP COc1ccc(NC(=[NH2+])NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000104167703 525397055 /nfs/dbraw/zinc/39/70/55/525397055.db2.gz HTSDJQRVJYDDBO-SFHVURJKSA-N 2 0 354.454 1.841 20 30 FDEDRP [NH2+]=C(NCCCN1CCOCC1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000104155684 525397796 /nfs/dbraw/zinc/39/77/96/525397796.db2.gz HUYAQOCZKFQLLC-MRXNPFEDSA-N 2 0 365.547 1.512 20 30 FDEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181631157 525883711 /nfs/dbraw/zinc/88/37/11/525883711.db2.gz OFMWZKRBZABWIJ-HOTGVXAUSA-N 2 0 360.477 1.756 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000171707951 526087601 /nfs/dbraw/zinc/08/76/01/526087601.db2.gz VHJJFWTXZMWHQO-SFHVURJKSA-N 2 0 351.539 1.208 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CC1 ZINC000171740638 526103565 /nfs/dbraw/zinc/10/35/65/526103565.db2.gz ZYFXNZFOCRSMKS-UHFFFAOYSA-N 2 0 351.539 1.304 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)CC1 ZINC000185360942 536206458 /nfs/dbraw/zinc/20/64/58/536206458.db2.gz DSWRWJBFUZFJHW-UHFFFAOYSA-N 2 0 351.539 1.352 20 30 FDEDRP COC[C@H](C)NC(=[NH2+])NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000267311138 536968379 /nfs/dbraw/zinc/96/83/79/536968379.db2.gz LXBSHXDDTZAOPT-KRWDZBQOSA-N 2 0 362.518 1.997 20 30 FDEDRP COCC[N@H+](C)CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000263801690 537104029 /nfs/dbraw/zinc/10/40/29/537104029.db2.gz VZSXCCXPRGCEHI-UHFFFAOYSA-N 2 0 361.490 1.210 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1ccc(OCC#N)cc1 ZINC000264913957 537150090 /nfs/dbraw/zinc/15/00/90/537150090.db2.gz IFPAGXOVWDQTJD-UHFFFAOYSA-N 2 0 360.502 1.863 20 30 FDEDRP C=CCNC(=O)NC(=O)CN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248941762 537221850 /nfs/dbraw/zinc/22/18/50/537221850.db2.gz CUSFYTJTQOHYQC-MNZLEMJZSA-N 2 0 358.486 1.744 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000422292642 538216023 /nfs/dbraw/zinc/21/60/23/538216023.db2.gz HMZTTWPRCJSZOD-QGZVFWFLSA-N 2 0 350.507 1.084 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000561441240 545852098 /nfs/dbraw/zinc/85/20/98/545852098.db2.gz QRHIOQKBUYPTCY-UHFFFAOYSA-N 2 0 350.507 1.086 20 30 FDEDRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000566799845 547890140 /nfs/dbraw/zinc/89/01/40/547890140.db2.gz OAWFPXVGXDNUEI-MRXNPFEDSA-N 2 0 359.474 1.797 20 30 FDEDRP C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000568745337 548662121 /nfs/dbraw/zinc/66/21/21/548662121.db2.gz UGPONYGEBUGOLG-WMLDXEAASA-N 2 0 361.465 1.776 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2CC)CC1 ZINC000580791160 551018941 /nfs/dbraw/zinc/01/89/41/551018941.db2.gz WDZHWISSMNEENI-QGZVFWFLSA-N 2 0 350.507 1.134 20 30 FDEDRP COCC[N@H+](C)C[C@@H](O)CN1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000583434152 551351076 /nfs/dbraw/zinc/35/10/76/551351076.db2.gz HEYIGUYRMMJRDF-HXUWFJFHSA-N 2 0 360.502 1.005 20 30 FDEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000590764225 551814375 /nfs/dbraw/zinc/81/43/75/551814375.db2.gz MSAVNIMAERXGEV-IBGZPJMESA-N 2 0 374.529 1.498 20 30 FDEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000591739397 551905180 /nfs/dbraw/zinc/90/51/80/551905180.db2.gz OAMIYUULHYDNGI-MJGOQNOKSA-N 2 0 360.502 1.161 20 30 FDEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000594450044 552312734 /nfs/dbraw/zinc/31/27/34/552312734.db2.gz RJHMSKOSHCYKIW-QGZVFWFLSA-N 2 0 372.517 1.994 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1(C#N)CCOCC1 ZINC000597053664 552740270 /nfs/dbraw/zinc/74/02/70/552740270.db2.gz RTSUWPBRGZAQII-QGZVFWFLSA-N 2 0 350.507 1.571 20 30 FDEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000600726495 553307961 /nfs/dbraw/zinc/30/79/61/553307961.db2.gz LOTOOCTWDRULRO-MJGOQNOKSA-N 2 0 360.502 1.161 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@]3(C[NH3+])CCCOC3)CC2)c1 ZINC000602522646 553597915 /nfs/dbraw/zinc/59/79/15/553597915.db2.gz VSISLRBQDINQNL-HXUWFJFHSA-N 2 0 356.470 1.394 20 30 FDEDRP C[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000602599509 553610656 /nfs/dbraw/zinc/61/06/56/553610656.db2.gz AFMANTDWNMYODY-AWEZNQCLSA-N 2 0 351.410 1.769 20 30 FDEDRP CC(C)[C@@H](C#N)N1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602794112 553640292 /nfs/dbraw/zinc/64/02/92/553640292.db2.gz FNWIVHNFYCYSDK-RTWAWAEBSA-N 2 0 356.514 1.789 20 30 FDEDRP C[NH+](C)CCCN(CCC#N)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000603083346 553706691 /nfs/dbraw/zinc/70/66/91/553706691.db2.gz LCJXDKFITHFIHN-UHFFFAOYSA-N 2 0 361.494 1.849 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)C(C)C ZINC000627371396 557375456 /nfs/dbraw/zinc/37/54/56/557375456.db2.gz DBAJPWFZERNYSE-IRXDYDNUSA-N 2 0 362.518 1.202 20 30 FDEDRP C[NH+]=C(NCC1([NH+]2CCSCC2)CCCC1)N1CC[C@@H](COC)C1 ZINC000262446810 672790892 /nfs/dbraw/zinc/79/08/92/672790892.db2.gz IZVMZPSCOQOUHL-MRXNPFEDSA-N 2 0 354.564 1.892 20 30 FDEDRP C[NH+]=C(NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)N1CCC(C(=O)OC)CC1 ZINC000262524222 672803126 /nfs/dbraw/zinc/80/31/26/672803126.db2.gz FYAGOUCDZHXHOM-HNNXBMFYSA-N 2 0 352.523 1.957 20 30 FDEDRP CC[NH+](CC)CCOc1ccc(CNC(=[NH2+])NCCOC)cc1OC ZINC000264115509 672901486 /nfs/dbraw/zinc/90/14/86/672901486.db2.gz SKRWTDUDZTXLPG-UHFFFAOYSA-N 2 0 352.479 1.467 20 30 FDEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000303902433 676543701 /nfs/dbraw/zinc/54/37/01/676543701.db2.gz UAFBUBBCSWAEJV-HDICACEKSA-N 2 0 353.555 1.371 20 30 FDEDRP COCC[N@H+](C)CCCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000303894483 676543757 /nfs/dbraw/zinc/54/37/57/676543757.db2.gz OWVAIMNAMNBCCE-UHFFFAOYSA-N 2 0 367.925 1.745 20 30 FDEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000329223902 676626541 /nfs/dbraw/zinc/62/65/41/676626541.db2.gz YTMHDQSKONNJEC-DQIHPLBOSA-N 2 0 350.507 1.899 20 30 FDEDRP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1=CC[N@H+](C)CC1 ZINC000329333706 676633675 /nfs/dbraw/zinc/63/36/75/676633675.db2.gz KKHDVYHATCTFFK-QGTPRVQTSA-N 2 0 350.507 1.518 20 30 FDEDRP CC1(C)C[N@@H+](C2(CNC(=O)[C@H]([NH3+])CCCC#N)CCCCC2)CCO1 ZINC000424145113 680830888 /nfs/dbraw/zinc/83/08/88/680830888.db2.gz MUNIRKDGIOWLNG-MRXNPFEDSA-N 2 0 350.507 1.937 20 30 FDEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCCCOC)C1 ZINC001104306046 774438509 /nfs/dbraw/zinc/43/85/09/774438509.db2.gz IDXGVRPVUUBGTI-AQNXPRMDSA-N 2 0 363.546 1.975 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)Cc3ccc(OCC#N)cc3)C2)CC[N@@H+]1C ZINC000971561637 777631328 /nfs/dbraw/zinc/63/13/28/777631328.db2.gz YZLZCYDXGLBEBZ-IMFGXOCKSA-N 2 0 370.497 1.962 20 30 FDEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001105067084 795129263 /nfs/dbraw/zinc/12/92/63/795129263.db2.gz LXGMNHUEJXZPRG-KURKYZTESA-N 2 0 364.534 1.237 20 30 FDEDRP C=CC[C@]1(C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCC[NH2+]1 ZINC000663018668 804899818 /nfs/dbraw/zinc/89/98/18/804899818.db2.gz XVFALMRBUVPRTP-OXJNMPFZSA-N 2 0 372.517 1.224 20 30 FDEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112123607 810446702 /nfs/dbraw/zinc/44/67/02/810446702.db2.gz ROECNYCTUOUUSK-ZIAGYGMSSA-N 2 0 365.440 1.898 20 30 FDEDRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(Cc3cc(F)ccc3C#N)C2)CC[N@@H+]1C ZINC001028549843 810619493 /nfs/dbraw/zinc/61/94/93/810619493.db2.gz BLAAGUOIOCMMSW-ZRGWGRIASA-N 2 0 358.461 1.976 20 30 FDEDRP C[NH+](C)Cc1cc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)ccc1F ZINC000262503870 811479150 /nfs/dbraw/zinc/47/91/50/811479150.db2.gz ATOAQKZSWWOBIR-UHFFFAOYSA-N 2 0 371.464 1.314 20 30 FDEDRP C[NH+](C)[C@@H](CNc1ccc(C#N)c(NC[C@@H](C2CC2)[NH+](C)C)n1)C1CC1 ZINC000436397811 816477577 /nfs/dbraw/zinc/47/75/77/816477577.db2.gz ASIDLJVKWCJESP-ROUUACIJSA-N 2 0 356.518 2.457 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COc1ccc(C#N)cc1 ZINC000505825321 816531911 /nfs/dbraw/zinc/53/19/11/816531911.db2.gz PBWLLWMGFCRMEK-GOSISDBHSA-N 2 0 358.486 1.812 20 30 FDEDRP C[NH+]1CCC(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)(N2CCCCC2)CC1 ZINC000439612675 818020547 /nfs/dbraw/zinc/02/05/47/818020547.db2.gz SFLQBBKWPQNJIJ-IBGZPJMESA-N 2 0 369.513 1.625 20 30 FDEDRP C[C@@H]1CCCC[C@H]1[NH+]=C(NCC(=O)N(C)C)NC1CC[NH+](C2CC2)CC1 ZINC000262286208 824691812 /nfs/dbraw/zinc/69/18/12/824691812.db2.gz KFTVTQNREKKWCJ-CRAIPNDOSA-N 2 0 363.550 1.815 20 30 FDEDRP C[NH+]=C(NC[C@@H]1C[N@H+](CC(C)C)CCO1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262347402 825606500 /nfs/dbraw/zinc/60/65/00/825606500.db2.gz AIZVIEAGVGVCQX-XMTFNYHQSA-N 2 0 366.550 1.712 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000330189466 825712160 /nfs/dbraw/zinc/71/21/60/825712160.db2.gz VIMFMUKPHPYRML-MOPGFXCFSA-N 2 0 364.534 1.908 20 30 FDEDRP N#Cc1ccc(CN2CCN(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000079460294 828956096 /nfs/dbraw/zinc/95/60/96/828956096.db2.gz FPRRJAZZIRCLQE-IBGZPJMESA-N 2 0 367.497 1.870 20 30 FDEDRP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262784031 831425302 /nfs/dbraw/zinc/42/53/02/831425302.db2.gz LVWANQQKPUNTOG-GOSISDBHSA-N 3 0 361.534 1.153 20 30 FDEDRP C[NH+]=C(NCC1(N2CCCCC2)CC[NH+](C)CC1)N1CC[C@@H](COC)C1 ZINC000085154193 841398650 /nfs/dbraw/zinc/39/86/50/841398650.db2.gz PCRNMXBDBXJTQH-GOSISDBHSA-N 2 0 365.566 1.480 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3([NH+](C)C)CCC3)[C@H]2C(C)C)C[C@H]1O ZINC001105637222 842271146 /nfs/dbraw/zinc/27/11/46/842271146.db2.gz LTZRGOQLKJNJSF-FTEYMNFISA-N 2 0 361.530 1.460 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)[N@@H+](C)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105642333 842305701 /nfs/dbraw/zinc/30/57/01/842305701.db2.gz IVFUSFYFDMNFIN-IKVWTGGYSA-N 2 0 363.546 1.706 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C(C)C)C[C@H]1O ZINC001105666482 843192386 /nfs/dbraw/zinc/19/23/86/843192386.db2.gz GBZGRPMXMQYWST-DCXXXQMHSA-N 2 0 359.514 1.072 20 30 FDEDRP C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000906473001 852939052 /nfs/dbraw/zinc/93/90/52/852939052.db2.gz YCZMNHUXFXTFHI-OALUTQOASA-N 2 0 358.486 1.691 20 30 FDEDRP C#CCC[NH+]1CCC(NC(=O)c2cccn2CCN2CCOCC2)CC1 ZINC000906775495 853302154 /nfs/dbraw/zinc/30/21/54/853302154.db2.gz UPAAFXZCNYDWIG-UHFFFAOYSA-N 2 0 358.486 1.038 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000911891443 859095927 /nfs/dbraw/zinc/09/59/27/859095927.db2.gz HAMHBGBASSGUOJ-WOJBJXKFSA-N 2 0 357.498 1.996 20 30 FDEDRP COc1ccc(C#N)cc1CN1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H]1C ZINC001088860059 864786479 /nfs/dbraw/zinc/78/64/79/864786479.db2.gz UPBTUXFFEMIQHM-FCEWJHQRSA-N 2 0 370.497 1.988 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC[C@@H]3CCOC3)[C@@H]2C)CC1 ZINC001089059766 866388048 /nfs/dbraw/zinc/38/80/48/866388048.db2.gz ZZROBOHEJHDDFC-GGPKGHCWSA-N 2 0 361.530 1.727 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000923351528 888986677 /nfs/dbraw/zinc/98/66/77/888986677.db2.gz UBEZMVCRGSNVFW-AQNXPRMDSA-N 2 0 351.450 1.972 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000923388181 889099139 /nfs/dbraw/zinc/09/91/39/889099139.db2.gz MIKZPCAVKAAJPN-PNYFIKQUSA-N 2 0 359.470 1.516 20 30 FDEDRP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001106910512 889551345 /nfs/dbraw/zinc/55/13/45/889551345.db2.gz BHMKONVKBUFWGD-QZTJIDSGSA-N 2 0 366.550 1.437 20 30 FDEDRP C=CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)n1 ZINC001128107613 896968574 /nfs/dbraw/zinc/96/85/74/896968574.db2.gz WAAXVBLXHNJVMW-GBESFXJTSA-N 2 0 371.529 1.782 20 30 FDEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]3COC[C@@H]32)CC1 ZINC001079242104 902224208 /nfs/dbraw/zinc/22/42/08/902224208.db2.gz PXBXBPJYFSFZCO-GBESFXJTSA-N 2 0 359.514 1.454 20 30 FDEDRP CC#CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259900 902295867 /nfs/dbraw/zinc/29/58/67/902295867.db2.gz UIKBJHXMQOBIKM-CEXWTWQISA-N 2 0 359.514 1.291 20 30 FDEDRP C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001107410473 904775920 /nfs/dbraw/zinc/77/59/20/904775920.db2.gz FKCVZPSGIZRGBJ-QKNQBKEWSA-N 2 0 361.530 1.892 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080779340 906243933 /nfs/dbraw/zinc/24/39/33/906243933.db2.gz KMUQSZCSYRJIDQ-IMFGXOCKSA-N 2 0 370.497 1.867 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@H]2C)CC1 ZINC001080998137 906975776 /nfs/dbraw/zinc/97/57/76/906975776.db2.gz UMQUVMLLXIIHOD-YZGWKJHDSA-N 2 0 361.530 1.727 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC001082515810 908187676 /nfs/dbraw/zinc/18/76/76/908187676.db2.gz ZKOZYXKSZBUTQY-VOBQZIQPSA-N 2 0 370.472 1.976 20 30 FDEDRP C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]2C)C1=O ZINC001082645337 909301473 /nfs/dbraw/zinc/30/14/73/909301473.db2.gz VVLPOQQBBYFCLW-ZTFGCOKTSA-N 2 0 367.453 1.171 20 30 FDEDRP C=CCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001127996825 909550615 /nfs/dbraw/zinc/55/06/15/909550615.db2.gz FMRAGCIXANZRPO-OWCLPIDISA-N 2 0 360.506 1.105 20 30 FDEDRP C=CCOCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001212406322 911384457 /nfs/dbraw/zinc/38/44/57/911384457.db2.gz OGIKRPXMPONPNI-CEXWTWQISA-N 2 0 365.518 1.411 20 30 FDEDRP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]21 ZINC001085053988 920160832 /nfs/dbraw/zinc/16/08/32/920160832.db2.gz BQOODVZSFRBTOD-MJGOQNOKSA-N 2 0 359.518 1.947 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCOCC2)CC1 ZINC001085432775 924679486 /nfs/dbraw/zinc/67/94/86/924679486.db2.gz PIUBRQRIAZOZSQ-WOJBJXKFSA-N 2 0 361.530 1.775 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCCCO2)CC1 ZINC001085432793 924680395 /nfs/dbraw/zinc/68/03/95/924680395.db2.gz PRECOQKGURMLGW-VAMGGRTRSA-N 2 0 361.530 1.918 20 30 FDEDRP C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169131227 928288920 /nfs/dbraw/zinc/28/89/20/928288920.db2.gz RYSWYYKRUJAKQX-RCLSDMTESA-N 2 0 360.546 1.795 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1n1ccnn1 ZINC001129932427 938562601 /nfs/dbraw/zinc/56/26/01/938562601.db2.gz XQWOXCNRBLPGER-MSOLQXFVSA-N 2 0 365.441 1.547 20 30 FDEDRP C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001130306901 938804656 /nfs/dbraw/zinc/80/46/56/938804656.db2.gz DAUZBRJQXIWOAL-XLIONFOSSA-N 2 0 364.534 1.378 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1c1cn(C)cn1 ZINC001130596645 939903482 /nfs/dbraw/zinc/90/34/82/939903482.db2.gz NQSKCUFNKGJUGL-RNIPGJKVSA-N 2 0 357.502 1.058 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130608031 939919949 /nfs/dbraw/zinc/91/99/49/939919949.db2.gz XKPZSJQEQPVUQS-QXAKKESOSA-N 2 0 359.518 1.611 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130654334 939948242 /nfs/dbraw/zinc/94/82/42/939948242.db2.gz GQVYDFCYJWRSRN-FUHWJXTLSA-N 2 0 359.518 1.612 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1c1cn(C)cn1 ZINC001130734499 940034510 /nfs/dbraw/zinc/03/45/10/940034510.db2.gz UGXLNWCKMLCZKI-QXAKKESOSA-N 2 0 359.518 1.755 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001131017796 940438530 /nfs/dbraw/zinc/43/85/30/940438530.db2.gz LYYAEPZAKUCFEI-KZNAEPCWSA-N 2 0 359.518 1.755 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1c1cncn1C ZINC001131132439 940512524 /nfs/dbraw/zinc/51/25/24/940512524.db2.gz KXUNOELPYJAOQY-KURKYZTESA-N 2 0 359.518 1.755 20 30 FDEDRP C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001131316496 940550883 /nfs/dbraw/zinc/55/08/83/940550883.db2.gz LFUFWWQMAXOLDZ-BBWFWOEESA-N 2 0 364.490 1.010 20 30 FDEDRP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001131515345 940679712 /nfs/dbraw/zinc/67/97/12/940679712.db2.gz FCFPWJPFOHYALJ-SBHAEUEKSA-N 2 0 361.530 1.870 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1c1ccc(OC)cc1 ZINC001090882639 947620392 /nfs/dbraw/zinc/62/03/92/947620392.db2.gz MIGRCWFTCKFUGU-LEWJYISDSA-N 2 0 369.509 1.944 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncc(C)o3)C2)CC1 ZINC001086882104 952913325 /nfs/dbraw/zinc/91/33/25/952913325.db2.gz ADYUTSNGLLEMHW-FUHWJXTLSA-N 2 0 358.486 1.703 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccc(C)n3)C2)CC1 ZINC001086882124 952913498 /nfs/dbraw/zinc/91/34/98/952913498.db2.gz BEMXDAZMCTZPMA-PKOBYXMFSA-N 2 0 369.513 1.505 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC[C@H]3CCCO3)C2)CC1 ZINC001086882370 952913898 /nfs/dbraw/zinc/91/38/98/952913898.db2.gz NYRXGMQRTRVLNF-DFQSSKMNSA-N 2 0 361.530 1.775 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C[C@H]1c1cnn(C)c1 ZINC001087004884 953063214 /nfs/dbraw/zinc/06/32/14/953063214.db2.gz AYFDFOMINPCHBU-ZCNNSNEGSA-N 2 0 371.529 1.592 20 30 FDEDRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cc(C#N)ccc4F)C[C@@]3(C)C2)C1 ZINC001092273752 954657288 /nfs/dbraw/zinc/65/72/88/954657288.db2.gz QPCYUDBTJRSESC-BLIXFSHQSA-N 2 0 370.472 1.929 20 30 FDEDRP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001093469756 958223541 /nfs/dbraw/zinc/22/35/41/958223541.db2.gz KMONNINNCZQIGG-VURPSTOHSA-N 2 0 363.546 1.870 20 30 FDEDRP C=C(C)CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2=O)C1 ZINC001094740214 961134679 /nfs/dbraw/zinc/13/46/79/961134679.db2.gz LUGQGZYXGVNTBI-RYQLBKOJSA-N 2 0 362.518 1.084 20 30 FDEDRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001189034841 966709910 /nfs/dbraw/zinc/70/99/10/966709910.db2.gz PAUDCTTUJBPJBX-PKOBYXMFSA-N 2 0 356.470 1.573 20 30 FDEDRP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001189134570 966785183 /nfs/dbraw/zinc/78/51/83/966785183.db2.gz ABOCMTMCHOVFCV-LEWJYISDSA-N 2 0 369.509 1.587 20 30 FDEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001194962146 970560002 /nfs/dbraw/zinc/56/00/02/970560002.db2.gz VIFQYZWVXKRJBI-PWIZWCRZSA-N 2 0 359.514 1.920 20 30 FDEDRP C[NH+]1CCN(c2ccnc(-c3noc([C@H](N)CCCCC#N)n3)c2)CC1 ZINC000848627841 976961194 /nfs/dbraw/zinc/96/11/94/976961194.db2.gz ZXVHCRHWGQLGQZ-OAHLLOKOSA-N 2 0 355.446 1.967 20 30 FDEDRP C[NH+]=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NCc1ccco1 ZINC000849023494 977292762 /nfs/dbraw/zinc/29/27/62/977292762.db2.gz ZTKZSKFGNHWNJK-UHFFFAOYSA-N 2 0 355.486 1.762 20 30 FDEDRP CC[NH+]1CCC(n2nccc2NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884180835 982954418 /nfs/dbraw/zinc/95/44/18/982954418.db2.gz LUNMUMMGEGSCJA-XAUUPUKJSA-N 2 0 356.474 1.618 20 30 FDEDRP C#CCN(C(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C1CC[NH+](C)CC1 ZINC000886582287 986385983 /nfs/dbraw/zinc/38/59/83/986385983.db2.gz NPDVZWINEZHQNV-UHFFFAOYSA-N 2 0 355.486 1.003 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CCc3ccncc3)CC2)CC1 ZINC000363205121 988991664 /nfs/dbraw/zinc/99/16/64/988991664.db2.gz MZYUZGAGBSJUOV-UHFFFAOYSA-N 2 0 354.498 1.550 20 30 FDEDRP C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371301442 990348193 /nfs/dbraw/zinc/34/81/93/990348193.db2.gz FVFYAEVYCUQTMB-PXNSSMCTSA-N 2 0 369.513 1.845 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N(CCOC)CC2CC[NH+](C)CC2)CC1 ZINC000875249076 991191687 /nfs/dbraw/zinc/19/16/87/991191687.db2.gz VKIOSKIRNZVZCW-UHFFFAOYSA-N 2 0 352.523 1.637 20 30 FDEDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)cc1 ZINC000876505898 992671634 /nfs/dbraw/zinc/67/16/34/992671634.db2.gz CIMBOOIFMNHBDY-UXHICEINSA-N 2 0 363.465 1.627 20 30 FDEDRP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876776629 992901961 /nfs/dbraw/zinc/90/19/61/992901961.db2.gz GGUZDNKMHPIFMD-HXUWFJFHSA-N 2 0 370.497 1.751 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000876866679 992941856 /nfs/dbraw/zinc/94/18/56/992941856.db2.gz KDCKBRCSGYQPHX-QRVBRYPASA-N 2 0 354.454 1.100 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000876982375 992995558 /nfs/dbraw/zinc/99/55/58/992995558.db2.gz ZMCMACLTGHSENV-FQEVSTJZSA-N 2 0 352.482 1.983 20 30 FDEDRP C[C@H](O)[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@H+]3CC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000878393068 993938380 /nfs/dbraw/zinc/93/83/80/993938380.db2.gz ZVBGXCVTSKTWEA-LVNJIZSUSA-N 2 0 357.498 1.964 20 30 FDEDRP C=C(C[NH+](C)C)C(=O)NCc1ccc(NC(=O)C(=C)C[NH+](C)C)cc1F ZINC000888043907 998050913 /nfs/dbraw/zinc/05/09/13/998050913.db2.gz PHSGTFFDJCOURU-UHFFFAOYSA-N 2 0 362.449 1.616 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000928652781 1001609694 /nfs/dbraw/zinc/60/96/94/1001609694.db2.gz MFVAADYOQOBBBG-YFHOEESVSA-N 2 0 355.482 1.854 20 30 FDEDRP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000948381219 1002281175 /nfs/dbraw/zinc/28/11/75/1002281175.db2.gz IDSSHRYMCMDATN-AQNXPRMDSA-N 2 0 361.530 1.679 20 30 FDEDRP C#CCN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1CC[NH+](C)CC1 ZINC000930214812 1002935686 /nfs/dbraw/zinc/93/56/86/1002935686.db2.gz TZIROXXKFRYWPD-KRWDZBQOSA-N 2 0 364.534 1.025 20 30 FDEDRP C#CC[N@@H+](C)CCCNC(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000930895302 1003641806 /nfs/dbraw/zinc/64/18/06/1003641806.db2.gz YJADCZCVDHLHQC-UHFFFAOYSA-N 2 0 357.502 1.905 20 30 FDEDRP COC(=O)C[C@@H]1C[NH+](CC#CC[N@@H+]2C[C@@H](C)[C@H](CC(=O)OC)C2)C[C@H]1C ZINC000932102195 1004770576 /nfs/dbraw/zinc/77/05/76/1004770576.db2.gz JJKXKOOGSDLIHQ-BRSBDYLESA-N 2 0 364.486 1.252 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)C(C)C ZINC000642769876 1007891157 /nfs/dbraw/zinc/89/11/57/1007891157.db2.gz RGGJNRSBMWBWKV-RCCFBDPRSA-N 2 0 362.518 1.012 20 30 FDEDRP C[C@@H]1CCC[N@H+](CCNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000305011167 1008557627 /nfs/dbraw/zinc/55/76/27/1008557627.db2.gz KOTSZYCBQDSPAX-HZPDHXFCSA-N 2 0 365.522 1.599 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000303768100 1009572214 /nfs/dbraw/zinc/57/22/14/1009572214.db2.gz ABCGJPMZQMUEKE-UHFFFAOYSA-N 2 0 359.518 1.280 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)C(C)C ZINC000419566609 1012573098 /nfs/dbraw/zinc/57/30/98/1012573098.db2.gz GURBWOMCPHSINF-FXAWDEMLSA-N 2 0 362.518 1.156 20 30 FDEDRP C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)N1CC[NH+](C)CC1 ZINC000180172304 258363374 /nfs/dbraw/zinc/36/33/74/258363374.db2.gz XHCKLTLLHSHWRI-INIZCTEOSA-N 2 0 352.486 1.684 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)N(CC)C[C@@H]2C)CC1 ZINC000553326667 543609976 /nfs/dbraw/zinc/60/99/76/543609976.db2.gz BIOPKOLLJVXTFO-CVEARBPZSA-N 2 0 350.507 1.084 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000553669063 543678034 /nfs/dbraw/zinc/67/80/34/543678034.db2.gz HNDOYBCUIBUDAD-INIZCTEOSA-N 2 0 350.507 1.134 20 30 FDEDRP CCN(C[C@H](C)C#N)C(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000555686212 544005318 /nfs/dbraw/zinc/00/53/18/544005318.db2.gz UBWVVAKQAUJRHY-HRBLRVMOSA-N 2 0 350.507 1.568 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000557769804 544344434 /nfs/dbraw/zinc/34/44/34/544344434.db2.gz SRESCDMINQZCBQ-DLBZAZTESA-N 2 0 364.534 1.380 20 30 FDEDRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000333682771 259369804 /nfs/dbraw/zinc/36/98/04/259369804.db2.gz OYTCHWNZVMHHCR-QFBILLFUSA-N 2 0 355.486 1.774 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000074129968 522687896 /nfs/dbraw/zinc/68/78/96/522687896.db2.gz NNZJIOXPOUWDDS-QGZVFWFLSA-N 2 0 351.539 1.210 20 30 FDEDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cnc4ccc(C#N)cn34)cn2)CC1 ZINC000123251181 524714016 /nfs/dbraw/zinc/71/40/16/524714016.db2.gz PLMNFQUYYSGDLN-UHFFFAOYSA-N 2 0 361.453 1.643 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000116252096 525122533 /nfs/dbraw/zinc/12/25/33/525122533.db2.gz SYCFYAYXDQHRGG-XLIONFOSSA-N 2 0 354.498 1.753 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1 ZINC000180873097 525767236 /nfs/dbraw/zinc/76/72/36/525767236.db2.gz VYVITKKOPRVWIJ-NRFANRHFSA-N 2 0 369.509 1.605 20 30 FDEDRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)CC1 ZINC000107371611 525878146 /nfs/dbraw/zinc/87/81/46/525878146.db2.gz UONXBWPCMJPDSY-PMACEKPBSA-N 2 0 372.513 1.204 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000171729049 526097955 /nfs/dbraw/zinc/09/79/55/526097955.db2.gz ZVGNRHDMWAHQMP-UHFFFAOYSA-N 2 0 363.550 1.495 20 30 FDEDRP CN(CCC#N)C(=O)CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182953163 535893098 /nfs/dbraw/zinc/89/30/98/535893098.db2.gz JWGODTLWMQTTPP-UHFFFAOYSA-N 2 0 350.507 1.573 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000183762576 536045736 /nfs/dbraw/zinc/04/57/36/536045736.db2.gz LEXKWRNGXIHZTL-HXUWFJFHSA-N 2 0 355.482 1.215 20 30 FDEDRP CC[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262812090 536908137 /nfs/dbraw/zinc/90/81/37/536908137.db2.gz URKVBUKXNMUHDY-IRXDYDNUSA-N 2 0 357.506 1.061 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000363823885 537330820 /nfs/dbraw/zinc/33/08/20/537330820.db2.gz OGOBXOHOJGXBSE-LJQANCHMSA-N 2 0 363.550 1.447 20 30 FDEDRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000330225662 537652213 /nfs/dbraw/zinc/65/22/13/537652213.db2.gz OHHLUMYKQFVYAS-KSZLIROESA-N 2 0 350.507 1.448 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[N@@H+](CCCOC)CC2)CC1 ZINC000369656743 538044780 /nfs/dbraw/zinc/04/47/80/538044780.db2.gz LRULLJPFGAVVLS-UHFFFAOYSA-N 2 0 352.523 1.781 20 30 FDEDRP C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000567896537 548315089 /nfs/dbraw/zinc/31/50/89/548315089.db2.gz ZUROVLLOYRWRRF-GOSISDBHSA-N 2 0 353.474 1.203 20 30 FDEDRP C[NH+](C)CCNC(=O)C1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000577518812 550665580 /nfs/dbraw/zinc/66/55/80/550665580.db2.gz LTANJHYTQGZVMP-UHFFFAOYSA-N 2 0 359.430 1.356 20 30 FDEDRP CN(C)c1cc(C#N)cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000590242027 551766822 /nfs/dbraw/zinc/76/68/22/551766822.db2.gz KKRHEIXOAPYDGP-LJQANCHMSA-N 2 0 369.513 1.865 20 30 FDEDRP C[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593292703 552084116 /nfs/dbraw/zinc/08/41/16/552084116.db2.gz AKQUQUYZFDDIPN-UHFFFAOYSA-N 2 0 355.486 1.916 20 30 FDEDRP C[C@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H](C)C[NH2+]1 ZINC000593718894 552181987 /nfs/dbraw/zinc/18/19/87/552181987.db2.gz AKOPVJVMYVFYPZ-HOTGVXAUSA-N 2 0 355.486 1.914 20 30 FDEDRP C[NH+]1CCN(C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c2ccccc2)CC1 ZINC000594438092 552310016 /nfs/dbraw/zinc/31/00/16/552310016.db2.gz GITOLUJUJLUTRC-RTBURBONSA-N 2 0 357.502 1.503 20 30 FDEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000594439895 552311239 /nfs/dbraw/zinc/31/12/39/552311239.db2.gz VXQFRUWSVMGOKW-GOSISDBHSA-N 3 0 358.490 1.121 20 30 FDEDRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000597943281 552848778 /nfs/dbraw/zinc/84/87/78/552848778.db2.gz WTZLGCNJGXRRCT-QFBILLFUSA-N 2 0 355.486 1.629 20 30 FDEDRP N#CC1(C[C@H](O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CCOCC1 ZINC000599263272 553007807 /nfs/dbraw/zinc/00/78/07/553007807.db2.gz FQCAYJJMAVJAOY-SFHVURJKSA-N 2 0 351.491 1.102 20 30 FDEDRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@H](O)COc3ccccc3C#N)C2)CC1 ZINC000600724672 553307726 /nfs/dbraw/zinc/30/77/26/553307726.db2.gz HDHAXOMILGNOFQ-HKUYNNGSSA-N 2 0 358.486 1.056 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)C(C)C ZINC000621844701 556169177 /nfs/dbraw/zinc/16/91/77/556169177.db2.gz VPXYSDBBSJVJBR-QKLQHJQFSA-N 2 0 362.518 1.141 20 30 FDEDRP C[NH+]=C(NCC1CCSCC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000086911028 671484410 /nfs/dbraw/zinc/48/44/10/671484410.db2.gz RJAOJDVPMICBPT-INIZCTEOSA-N 2 0 354.564 1.796 20 30 FDEDRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288716859 676044587 /nfs/dbraw/zinc/04/45/87/676044587.db2.gz LNPIEWRTIUIPHL-OAHLLOKOSA-N 2 0 353.417 1.634 20 30 FDEDRP CC[C@@H](C)[NH+]=C(NCC(=O)N(C)C)N1CC[NH+](C2CCCCC2)CC1 ZINC000262273454 672759713 /nfs/dbraw/zinc/75/97/13/672759713.db2.gz HKSIADBJYOTDJS-MRXNPFEDSA-N 2 0 351.539 1.769 20 30 FDEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N(C)Cc1c(F)cccc1Cl ZINC000262787556 672849486 /nfs/dbraw/zinc/84/94/86/672849486.db2.gz MZUDSISUZQEKAJ-ZDUSSCGKSA-N 2 0 353.873 1.486 20 30 FDEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000267873601 673341395 /nfs/dbraw/zinc/34/13/95/673341395.db2.gz RBPOVDZYVQFCMI-HNNXBMFYSA-N 2 0 352.479 1.465 20 30 FDEDRP COc1ccc(NC(=[NH2+])NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000303777051 676542722 /nfs/dbraw/zinc/54/27/22/676542722.db2.gz ILOHOEKHIGKKJN-KBPBESRZSA-N 2 0 350.463 1.930 20 30 FDEDRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330292535 676683253 /nfs/dbraw/zinc/68/32/53/676683253.db2.gz DIAIOCVZXOJRSR-SPUZQDLCSA-N 2 0 352.523 1.550 20 30 FDEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104291559 773841288 /nfs/dbraw/zinc/84/12/88/773841288.db2.gz OQPFQDLXGQCKGX-AQNXPRMDSA-N 2 0 363.546 1.973 20 30 FDEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001104752306 793036965 /nfs/dbraw/zinc/03/69/65/793036965.db2.gz BXGIAZBRUGASHH-HSALFYBXSA-N 2 0 363.546 1.975 20 30 FDEDRP N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCC[NH2+]C3CC3)CC2)cc1 ZINC000418300497 795734435 /nfs/dbraw/zinc/73/44/35/795734435.db2.gz NCABKIGWNLHLCH-UHFFFAOYSA-N 2 0 355.486 1.918 20 30 FDEDRP C=CC[C@]1(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662817817 803479183 /nfs/dbraw/zinc/47/91/83/803479183.db2.gz XBDJECHXANGBIQ-OAQYLSRUSA-N 3 0 356.514 1.794 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000664017444 810175671 /nfs/dbraw/zinc/17/56/71/810175671.db2.gz WQEXPSBWXNKJFO-SFHVURJKSA-N 2 0 352.523 1.779 20 30 FDEDRP C[NH+]=C(NCCn1c(C)nc2ccccc21)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261719472 810301223 /nfs/dbraw/zinc/30/12/23/810301223.db2.gz IEJRASKFEUQABY-KBXCAEBGSA-N 2 0 354.502 1.992 20 30 FDEDRP CC1CC[NH+](C2CCC(NC(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)CC1 ZINC000328658101 819524546 /nfs/dbraw/zinc/52/45/46/819524546.db2.gz QKNGCGCKSFCYFZ-CTWPCTMYSA-N 2 0 365.566 1.779 20 30 FDEDRP C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)nc2)C1 ZINC000328933814 819583239 /nfs/dbraw/zinc/58/32/39/819583239.db2.gz IRVMHKMDUJNCKK-IRXDYDNUSA-N 2 0 358.490 1.200 20 30 FDEDRP C[C@@H]1C[C@H](NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC[N@@H+]1C ZINC000329815674 825478400 /nfs/dbraw/zinc/47/84/00/825478400.db2.gz NWQKSALXVSXHBJ-NVXWUHKLSA-N 2 0 360.506 1.320 20 30 FDEDRP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C[C@@H]2C1 ZINC001088115686 826463375 /nfs/dbraw/zinc/46/33/75/826463375.db2.gz IHCCCMHXDPTXOA-MHTWAQMVSA-N 2 0 351.494 1.745 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4cnc(C)o4)CC[C@@H]3C2)CC1 ZINC001088211900 827492959 /nfs/dbraw/zinc/49/29/59/827492959.db2.gz FHZCWXUILLCAIU-MOPGFXCFSA-N 2 0 370.497 1.609 20 30 FDEDRP C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NCc1ccccc1CN1CCOCC1 ZINC000451601776 830405383 /nfs/dbraw/zinc/40/53/83/830405383.db2.gz VRUGILVRLWKWFJ-MOPGFXCFSA-N 2 0 359.470 1.068 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001105652430 842453834 /nfs/dbraw/zinc/45/38/34/842453834.db2.gz MMPCCFJRZHQQPQ-DCXXXQMHSA-N 2 0 361.530 1.318 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105653504 842455489 /nfs/dbraw/zinc/45/54/89/842455489.db2.gz VZDAFBVWKHRHIA-NEYJZJCJSA-N 2 0 363.546 1.870 20 30 FDEDRP N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)c1 ZINC001076467593 848193613 /nfs/dbraw/zinc/19/36/13/848193613.db2.gz NWEJWMHKHHXDAE-RBUKOAKNSA-N 2 0 350.466 1.687 20 30 FDEDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)CC3(C#N)CCOCC3)cc2)CC1 ZINC000905428783 851934926 /nfs/dbraw/zinc/93/49/26/851934926.db2.gz VXIRWFFJRODZHS-HXUWFJFHSA-N 2 0 372.513 1.599 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])C(C)C ZINC000906645338 853094647 /nfs/dbraw/zinc/09/46/47/853094647.db2.gz KYNAUYALXPNTRN-GOSISDBHSA-N 2 0 358.486 1.899 20 30 FDEDRP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC000908694567 855684019 /nfs/dbraw/zinc/68/40/19/855684019.db2.gz CMRSZCNNUYPJLI-CVEARBPZSA-N 2 0 360.506 1.530 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CC(F)(F)C3)[C@@H]2C)CC1 ZINC001089059205 866380788 /nfs/dbraw/zinc/38/07/88/866380788.db2.gz DKOGNVQVMYJEBA-PBHICJAKSA-N 2 0 353.457 1.956 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3csc(C)n3)[C@@H]2C)CC1 ZINC001089059827 866388519 /nfs/dbraw/zinc/38/85/19/866388519.db2.gz DGNXOASIKWXADC-KDOFPFPSSA-N 2 0 360.527 1.876 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC[C@H]3CCOC3)[C@@H]2C)CC1 ZINC001089059767 866388833 /nfs/dbraw/zinc/38/88/33/866388833.db2.gz ZZROBOHEJHDDFC-HBFSDRIKSA-N 2 0 361.530 1.727 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000923375329 889044803 /nfs/dbraw/zinc/04/48/03/889044803.db2.gz JOYPPYDLCTWTFX-HOJAQTOUSA-N 2 0 359.470 1.516 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000923393348 889104973 /nfs/dbraw/zinc/10/49/73/889104973.db2.gz PACDVOYSKJEGAU-LFGUQSLTSA-N 2 0 359.470 1.659 20 30 FDEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084351936 914152564 /nfs/dbraw/zinc/15/25/64/914152564.db2.gz HERKQPHRPVAJEE-WTGUMLROSA-N 2 0 359.514 1.289 20 30 FDEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@H](OC)C1 ZINC001081796526 905016851 /nfs/dbraw/zinc/01/68/51/905016851.db2.gz ZKAQYCLYLQXFGT-GUDVDZBRSA-N 2 0 365.518 1.411 20 30 FDEDRP C#CCC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n2)C1 ZINC001127838642 906574495 /nfs/dbraw/zinc/57/44/95/906574495.db2.gz BNRLTMNORPTFOI-NZSAHSFTSA-N 2 0 369.513 1.230 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001082515673 908186136 /nfs/dbraw/zinc/18/61/36/908186136.db2.gz UQNSNTHISUGBBS-HEFCMCLBSA-N 2 0 370.472 1.976 20 30 FDEDRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C)cc1C#N ZINC001082557689 908591918 /nfs/dbraw/zinc/59/19/18/908591918.db2.gz ZKKGDNBTEMOXPF-CRAIPNDOSA-N 2 0 370.497 1.988 20 30 FDEDRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001082923571 910936112 /nfs/dbraw/zinc/93/61/12/910936112.db2.gz QSPQJMCUJIMPFA-FUHIMQAGSA-N 2 0 370.497 1.463 20 30 FDEDRP CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212403721 911207776 /nfs/dbraw/zinc/20/77/76/911207776.db2.gz SPAAZHKWPZIYGL-QZTJIDSGSA-N 2 0 356.470 1.358 20 30 FDEDRP C[NH+]1CCN(c2ccc(C[NH2+]CCNC(=O)C3N=CC=CC3=O)cc2)CC1 ZINC000771840495 930914132 /nfs/dbraw/zinc/91/41/32/930914132.db2.gz BJSYKLPFGOKSFM-FMQUCBEESA-N 2 0 369.469 1.054 20 30 FDEDRP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433729 938423346 /nfs/dbraw/zinc/42/33/46/938423346.db2.gz OOYYAJYXIJWTRN-KURKYZTESA-N 2 0 360.506 1.318 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@@H]1n1ccnn1 ZINC001129883991 938538498 /nfs/dbraw/zinc/53/84/98/938538498.db2.gz DGSLTBWMCBOUJD-KURKYZTESA-N 2 0 360.506 1.460 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129899688 938559541 /nfs/dbraw/zinc/55/95/41/938559541.db2.gz GPKJVOXEAQIBHQ-KSZLIROESA-N 2 0 360.506 1.460 20 30 FDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001129992102 938613876 /nfs/dbraw/zinc/61/38/76/938613876.db2.gz LCASSUMXYKLBEW-JQHSSLGASA-N 2 0 360.506 1.316 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130712880 939999975 /nfs/dbraw/zinc/99/99/75/939999975.db2.gz QHCBBPRWOSSLBM-JENIJYKNSA-N 2 0 359.518 1.612 20 30 FDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130736995 940038190 /nfs/dbraw/zinc/03/81/90/940038190.db2.gz SYRCHAQPXJXQJI-JENIJYKNSA-N 2 0 361.534 1.999 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1c1cncn1C ZINC001131003328 940429648 /nfs/dbraw/zinc/42/96/48/940429648.db2.gz DCQFLRXMNPZANC-IXDOHACOSA-N 2 0 365.497 1.560 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1cncn1C ZINC001131010272 940441081 /nfs/dbraw/zinc/44/10/81/940441081.db2.gz GVNRFANEWDTDTN-IAGOWNOFSA-N 2 0 359.518 1.755 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001131012423 940444125 /nfs/dbraw/zinc/44/41/25/940444125.db2.gz IKZLMQMBVRVUAY-RCCFBDPRSA-N 2 0 359.518 1.755 20 30 FDEDRP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001131511964 940693852 /nfs/dbraw/zinc/69/38/52/940693852.db2.gz GFFOXWJZUIHKQF-AABGKKOBSA-N 2 0 361.530 1.870 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@H]([NH2+]CC)C2)CC1 ZINC001090885630 947663762 /nfs/dbraw/zinc/66/37/62/947663762.db2.gz ZKILVACAYOQZOG-LEWJYISDSA-N 2 0 369.509 1.944 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@@H]3CCCOC3)C2)CC1 ZINC001086882180 952913860 /nfs/dbraw/zinc/91/38/60/952913860.db2.gz FBAHGUZAWDFRAF-CMKODMSKSA-N 2 0 361.530 1.633 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001086983039 952996617 /nfs/dbraw/zinc/99/66/17/952996617.db2.gz SPNWDQURDGIYAU-CEXWTWQISA-N 2 0 359.518 1.755 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092504656 955276397 /nfs/dbraw/zinc/27/63/97/955276397.db2.gz WANHWARFZFPRRT-BJZITVGISA-N 2 0 358.461 1.976 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]2C)CC1 ZINC001093223915 957854384 /nfs/dbraw/zinc/85/43/84/957854384.db2.gz JGXBZWZZJKYSEF-WSTZPKSXSA-N 2 0 361.530 1.442 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3ccn(CC)n3)[C@H](C)C2)CC1 ZINC001094239955 960158222 /nfs/dbraw/zinc/15/82/22/960158222.db2.gz KXKJKUTXWZPCLV-IEBWSBKVSA-N 2 0 371.529 1.432 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3csnn3)[C@H](C)C2)CC1 ZINC001094240183 960159178 /nfs/dbraw/zinc/15/91/78/960159178.db2.gz SUVYEVYKKJCOQC-GDBMZVCRSA-N 2 0 361.515 1.067 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3cnccn3)[C@H](C)C2)CC1 ZINC001094240352 960159351 /nfs/dbraw/zinc/15/93/51/960159351.db2.gz UJQRQLPNPRCZRJ-ZHALLVOQSA-N 2 0 369.513 1.567 20 30 FDEDRP C=CCN1CCN(C)C2(CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)C1=O ZINC001172117144 961497299 /nfs/dbraw/zinc/49/72/99/961497299.db2.gz OXMVBSIUMKIGMD-BWTSREIZSA-N 2 0 360.546 1.796 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH3+])[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172986189 961869425 /nfs/dbraw/zinc/86/94/25/961869425.db2.gz SJQATJFXFMYYCM-SJORKVTESA-N 2 0 367.538 1.881 20 30 FDEDRP C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178730792 964396947 /nfs/dbraw/zinc/39/69/47/964396947.db2.gz DEIYAQSENYIGQJ-XDNAFOTISA-N 2 0 364.534 1.330 20 30 FDEDRP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001188405863 966300290 /nfs/dbraw/zinc/30/02/90/966300290.db2.gz QZDIAWGPGUOPJJ-QFBILLFUSA-N 2 0 354.454 1.992 20 30 FDEDRP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188963147 966676075 /nfs/dbraw/zinc/67/60/75/966676075.db2.gz KQZKJBRDGCLFIQ-ZWKOTPCHSA-N 2 0 362.518 1.062 20 30 FDEDRP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)COC[C@@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001189182178 966808650 /nfs/dbraw/zinc/80/86/50/966808650.db2.gz RBQDGVHTJRISHM-CEXWTWQISA-N 2 0 365.518 1.223 20 30 FDEDRP C#CC[N@H+](C)CCCNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000852358199 967249140 /nfs/dbraw/zinc/24/91/40/967249140.db2.gz OQWDFMQBHZOCHY-UHFFFAOYSA-N 2 0 357.502 1.548 20 30 FDEDRP O=C(C#CC1CC[NH2+]CC1)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000852796268 967614470 /nfs/dbraw/zinc/61/44/70/967614470.db2.gz OORCHAXLUNUCDX-GOSISDBHSA-N 2 0 355.438 1.537 20 30 FDEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CCCO1 ZINC001201454943 975055646 /nfs/dbraw/zinc/05/56/46/975055646.db2.gz VSBBKNFWTYVWCL-AQNXPRMDSA-N 2 0 357.498 1.725 20 30 FDEDRP N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000848394149 976715327 /nfs/dbraw/zinc/71/53/27/976715327.db2.gz GZILAEQHWYGHKB-SJORKVTESA-N 2 0 358.442 1.945 20 30 FDEDRP COc1ccc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1C#N ZINC000880883567 979510506 /nfs/dbraw/zinc/51/05/06/979510506.db2.gz YGVLHWSBRHLBNU-HZPDHXFCSA-N 2 0 359.474 1.770 20 30 FDEDRP COc1ccc([C@@H]2CN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)C[C@H]2[NH3+])cc1 ZINC000884468884 983173089 /nfs/dbraw/zinc/17/30/89/983173089.db2.gz OSUSIGNDDMZGTP-TWEWKZCCSA-N 2 0 354.454 1.088 20 30 FDEDRP C[NH+]1CCC[C@@H]2CN(CC#CCN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000367461897 988951850 /nfs/dbraw/zinc/95/18/50/988951850.db2.gz BZTQTTLLQQQMNP-GXRSIYKFSA-N 2 0 358.574 1.822 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccc(C#N)c(F)c2)C[C@H]1C[NH+](C)C ZINC000875652840 991867187 /nfs/dbraw/zinc/86/71/87/991867187.db2.gz NFTIHFVTWNJRIS-IAGOWNOFSA-N 2 0 361.465 1.578 20 30 FDEDRP C[NH+](C)CCC[C@H]1CN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CCO1 ZINC000876982329 992995470 /nfs/dbraw/zinc/99/54/70/992995470.db2.gz YJIHZAYMKBDJNS-HKUYNNGSSA-N 2 0 356.470 1.314 20 30 FDEDRP COCC[N@H+](C[C@H](O)COc1ccccc1C#N)CC1CC[NH+](C)CC1 ZINC000879126641 994561508 /nfs/dbraw/zinc/56/15/08/994561508.db2.gz LYIJPAXHCHKUPL-IBGZPJMESA-N 2 0 361.486 1.588 20 30 FDEDRP C[NH+](C)C[C@H]1NC(=O)N(C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1=O ZINC000924970331 995197612 /nfs/dbraw/zinc/19/76/12/995197612.db2.gz RDPHKYJPOPWFCO-QGZVFWFLSA-N 2 0 355.442 1.005 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000264068723 997395104 /nfs/dbraw/zinc/39/51/04/997395104.db2.gz CJZJUNLGJPNGPO-ZWKOTPCHSA-N 2 0 373.501 1.693 20 30 FDEDRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000264076376 997396706 /nfs/dbraw/zinc/39/67/06/997396706.db2.gz FUSGPESKVXFFPW-ROUUACIJSA-N 2 0 373.549 1.671 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000267416844 999329861 /nfs/dbraw/zinc/32/98/61/999329861.db2.gz JMWHNCDWZZQLCH-IBGZPJMESA-N 3 0 373.545 1.532 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NCc2ccncc2OCCC[NH+](C)C)CC1 ZINC000290378967 1000134744 /nfs/dbraw/zinc/13/47/44/1000134744.db2.gz BZZBMOKDXLNNFN-UHFFFAOYSA-N 2 0 358.486 1.374 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)CC1 ZINC000928648730 1001607290 /nfs/dbraw/zinc/60/72/90/1001607290.db2.gz QVFIAYXCGZKBDI-UXHICEINSA-N 2 0 371.529 1.448 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC000928649674 1001607829 /nfs/dbraw/zinc/60/78/29/1001607829.db2.gz PQQCPNDVNZPRCD-UHFFFAOYSA-N 2 0 369.469 1.131 20 30 FDEDRP C#CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000931000998 1003757513 /nfs/dbraw/zinc/75/75/13/1003757513.db2.gz SPQFWCVNIVGAEG-KRWDZBQOSA-N 2 0 374.529 1.066 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1)C(C)C ZINC000642769871 1007891226 /nfs/dbraw/zinc/89/12/26/1007891226.db2.gz OVNSVUNWYLRPTC-OKZBNKHCSA-N 2 0 364.534 1.387 20 30 FDEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000959957784 1009199057 /nfs/dbraw/zinc/19/90/57/1009199057.db2.gz UTSVSPBJPOVLQN-SLHNCBLASA-N 2 0 361.530 1.746 20 30 FDEDRP COc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1C#N ZINC000959973871 1009236350 /nfs/dbraw/zinc/23/63/50/1009236350.db2.gz NLNGIORFLXDGSG-REPJOTQGSA-N 2 0 368.481 1.453 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000303902487 1009685408 /nfs/dbraw/zinc/68/54/08/1009685408.db2.gz UBNWLGOTEQLSJK-HXUWFJFHSA-N 3 0 372.561 1.587 20 30 FDEDRP C[NH+](C)CC1(CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)CCCC1 ZINC000305821738 1012773126 /nfs/dbraw/zinc/77/31/26/1012773126.db2.gz PABQGRYHBARDMN-UHFFFAOYSA-N 2 0 367.538 1.976 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000557731212 544337594 /nfs/dbraw/zinc/33/75/94/544337594.db2.gz COMUJHKPOHUMEO-QGZVFWFLSA-N 2 0 364.534 1.237 20 30 FDEDRP C[NH+](C)CCCN(CCC#N)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000073078912 522463267 /nfs/dbraw/zinc/46/32/67/522463267.db2.gz BAORIUBIGKDUNT-UHFFFAOYSA-N 2 0 350.507 1.715 20 30 FDEDRP CN1CCN([C@@H]2CCCC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000174889737 524780973 /nfs/dbraw/zinc/78/09/73/524780973.db2.gz YEVBRNSNBLFRGP-HXUWFJFHSA-N 2 0 369.513 1.989 20 30 FDEDRP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000131575038 525875228 /nfs/dbraw/zinc/87/52/28/525875228.db2.gz QZODQRHKUBGRCJ-UYAOXDASSA-N 2 0 360.498 1.809 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1CN1CCCC1=O ZINC000264106111 537137934 /nfs/dbraw/zinc/13/79/34/537137934.db2.gz PLBPPWDPOKZHBC-SFHVURJKSA-N 2 0 357.502 1.698 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NC1CC[NH+](CC)CC1)C(C)C ZINC000283271180 537362969 /nfs/dbraw/zinc/36/29/69/537362969.db2.gz CHUUJLUQCADVPA-GOSISDBHSA-N 2 0 364.534 1.402 20 30 FDEDRP CC(C)[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)N1CC[NH+](C)CC1 ZINC000304511179 537599405 /nfs/dbraw/zinc/59/94/05/537599405.db2.gz WYZIHIQMFJARHI-MSOLQXFVSA-N 2 0 359.518 1.687 20 30 FDEDRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]C[C@@H](O)CN(C)CCC#N)cc2)C[C@@H](C)O1 ZINC000565291677 547292862 /nfs/dbraw/zinc/29/28/62/547292862.db2.gz AWCLFUHKQUHPQJ-DBXWQHBBSA-N 2 0 374.529 1.592 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000569584430 548971442 /nfs/dbraw/zinc/97/14/42/548971442.db2.gz KHOKZXIGEHZABQ-UHFFFAOYSA-N 2 0 362.518 1.087 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000593712909 552180551 /nfs/dbraw/zinc/18/05/51/552180551.db2.gz SGUWFFANEKFZAI-MRXNPFEDSA-N 2 0 355.486 1.821 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)CC2)c1 ZINC000593721564 552182265 /nfs/dbraw/zinc/18/22/65/552182265.db2.gz PQKXMPRRJDWSGK-QUCCMNQESA-N 2 0 367.497 1.916 20 30 FDEDRP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000594437894 552309859 /nfs/dbraw/zinc/30/98/59/552309859.db2.gz LJEDHOXWLZDNQB-FUHWJXTLSA-N 2 0 371.485 1.734 20 30 FDEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594525903 552327704 /nfs/dbraw/zinc/32/77/04/552327704.db2.gz XZDUCUFNEXMXAE-CQSZACIVSA-N 2 0 357.380 1.521 20 30 FDEDRP COc1cc(NC(=O)NCCN(C)CCC[NH+](C)C)c(F)cc1C#N ZINC000599808077 553153526 /nfs/dbraw/zinc/15/35/26/553153526.db2.gz HSBUQCNNSVKQTE-UHFFFAOYSA-N 2 0 351.426 1.711 20 30 FDEDRP N#CC1(C[C@H](O)C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000600721340 553307109 /nfs/dbraw/zinc/30/71/09/553307109.db2.gz LKBKWCYQNLKSFS-KRWDZBQOSA-N 2 0 358.490 1.023 20 30 FDEDRP CC(C)[C@H](C#N)N1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602794113 553640166 /nfs/dbraw/zinc/64/01/66/553640166.db2.gz FNWIVHNFYCYSDK-SFTDATJTSA-N 2 0 356.514 1.789 20 30 FDEDRP C=C(CNC(=O)[C@H]1CCC[N@@H+]1C1CC1)CNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000620749886 555979196 /nfs/dbraw/zinc/97/91/96/555979196.db2.gz QWPPHGSZCAQOJS-HDICACEKSA-N 2 0 360.502 1.029 20 30 FDEDRP C[C@@H]([NH2+]CCCC#N)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000273321999 674527955 /nfs/dbraw/zinc/52/79/55/674527955.db2.gz ZNUPGUIPVQIVIM-OAHLLOKOSA-N 2 0 352.504 1.871 20 30 FDEDRP CC[NH+](CC)CCCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089119965 671491619 /nfs/dbraw/zinc/49/16/19/671491619.db2.gz VNJRRHLBSVYWCB-OAHLLOKOSA-N 2 0 353.511 1.599 20 30 FDEDRP C[NH+]=C(NCc1ccc(N2CC[NH+](C)CC2)nc1)NC[C@H]1CCCS1 ZINC000262000349 672709672 /nfs/dbraw/zinc/70/96/72/672709672.db2.gz UFBMPZKJZOLDHM-MRXNPFEDSA-N 2 0 362.547 1.394 20 30 FDEDRP CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262439891 672789910 /nfs/dbraw/zinc/78/99/10/672789910.db2.gz UKKXABXDRDBBII-MGNMYUMUSA-N 2 0 370.563 1.380 20 30 FDEDRP CCC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262441871 672790264 /nfs/dbraw/zinc/79/02/64/672790264.db2.gz UTEBBCQKCJYZHP-MGNMYUMUSA-N 2 0 370.563 1.382 20 30 FDEDRP CC[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N(C)Cc1ccc(Cl)s1 ZINC000262756506 672842665 /nfs/dbraw/zinc/84/26/65/672842665.db2.gz BNBHTXJNYIDJDJ-ZDUSSCGKSA-N 2 0 355.939 1.799 20 30 FDEDRP CC[NH+]=C(NCC[NH2+]C(C)(C)C)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000262826402 672851757 /nfs/dbraw/zinc/85/17/57/672851757.db2.gz YFUIVDRCYVKEFQ-UHFFFAOYSA-N 2 0 372.579 1.773 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccncc1OCC(F)(F)F ZINC000280887616 675467170 /nfs/dbraw/zinc/46/71/70/675467170.db2.gz BNXSJCZVLZGRBJ-CYBMUJFWSA-N 2 0 359.396 1.911 20 30 FDEDRP C[C@@H]1C[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C[N@@H+]1C1CC1 ZINC000328614783 676600011 /nfs/dbraw/zinc/60/00/11/676600011.db2.gz RIGYUNKLDSLHNS-HZPDHXFCSA-N 2 0 350.507 1.760 20 30 FDEDRP O=C(NCC1([NH+]2CCCC2)CCOCC1)NC1CC[NH+](C2CC2)CC1 ZINC000329115747 676620625 /nfs/dbraw/zinc/62/06/25/676620625.db2.gz MYTUCCHZFIPMRJ-UHFFFAOYSA-N 2 0 350.507 1.762 20 30 FDEDRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330215623 676679096 /nfs/dbraw/zinc/67/90/96/676679096.db2.gz HEKXZVREUIDGNI-CGTJXYLNSA-N 2 0 352.523 1.552 20 30 FDEDRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330292534 676683264 /nfs/dbraw/zinc/68/32/64/676683264.db2.gz DIAIOCVZXOJRSR-BZZMCLGOSA-N 2 0 352.523 1.550 20 30 FDEDRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncc3c(c2C#N)CCC[NH2+]C3)C1 ZINC001164731245 720505692 /nfs/dbraw/zinc/50/56/92/720505692.db2.gz OQHPPGBYWZYWRJ-OAHLLOKOSA-N 2 0 365.485 1.384 20 30 FDEDRP C=CC[C@@]1(C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCC[NH2+]1 ZINC000663018663 804900013 /nfs/dbraw/zinc/90/00/13/804900013.db2.gz XVFALMRBUVPRTP-JXFKEZNVSA-N 2 0 372.517 1.224 20 30 FDEDRP N#CCCC[C@H]([NH3+])C(=O)NCc1ccccc1OCCN1CCOCC1 ZINC000424163695 815321611 /nfs/dbraw/zinc/32/16/11/815321611.db2.gz XXJBRLQICJYUNY-KRWDZBQOSA-N 2 0 360.458 1.035 20 30 FDEDRP C[NH+]=C(NCc1nnc2n1CCC2)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000261935030 811347533 /nfs/dbraw/zinc/34/75/33/811347533.db2.gz CEYXMFCRXMDHTN-WBVHZDCISA-N 2 0 367.501 1.552 20 30 FDEDRP C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261950655 811351860 /nfs/dbraw/zinc/35/18/60/811351860.db2.gz HFULITKRKZSQSN-LPHOPBHVSA-N 2 0 371.529 1.465 20 30 FDEDRP C[NH+]=C(NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261957613 817672624 /nfs/dbraw/zinc/67/26/24/817672624.db2.gz JEPMQMZFLJTSIW-XLMAVXFVSA-N 2 0 365.566 1.522 20 30 FDEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000522305337 822379276 /nfs/dbraw/zinc/37/92/76/822379276.db2.gz GDEIYMBHIKKOJQ-SFHVURJKSA-N 2 0 355.486 1.868 20 30 FDEDRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000329765121 825436422 /nfs/dbraw/zinc/43/64/22/825436422.db2.gz WPFVIRCMLBZPLT-BPIHKTFHSA-N 2 0 366.550 1.940 20 30 FDEDRP C#CCC[NH+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001088234463 827598054 /nfs/dbraw/zinc/59/80/54/827598054.db2.gz SMYBJGXBTSPWDX-MISYRCLQSA-N 2 0 361.530 1.679 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000528368865 829373744 /nfs/dbraw/zinc/37/37/44/829373744.db2.gz WPHVGOIZSSOZGK-HXUWFJFHSA-N 2 0 373.497 1.732 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105658463 842503145 /nfs/dbraw/zinc/50/31/45/842503145.db2.gz HEWSBSUNYDSTCD-IZBJGVDFSA-N 2 0 351.535 1.870 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[N@@H+](C)CCC)[C@H]2C(C)C)C[C@H]1O ZINC001105668096 843755042 /nfs/dbraw/zinc/75/50/42/843755042.db2.gz HLIKSZJSAJMYJZ-QCFAMHMHSA-N 2 0 363.546 1.708 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)N[C@]1(C)CCN(C(=O)C(=C)CC[NH+](C)C)C1 ZINC000908265042 855250663 /nfs/dbraw/zinc/25/06/63/855250663.db2.gz RJSKXOSHUSGSCV-LJQANCHMSA-N 2 0 350.507 1.109 20 30 FDEDRP C#CCN(C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C1CC[NH+](C)CC1 ZINC000913921621 869999427 /nfs/dbraw/zinc/99/94/27/869999427.db2.gz UKQHVJZAGTXXQU-GOSISDBHSA-N 2 0 350.507 1.082 20 30 FDEDRP C#CCN(C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000922201240 873696004 /nfs/dbraw/zinc/69/60/04/873696004.db2.gz JMNRJTSGZIRTPN-QGZVFWFLSA-N 2 0 350.507 1.226 20 30 FDEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001106346389 874861546 /nfs/dbraw/zinc/86/15/46/874861546.db2.gz AXCAGFUYUJPPGY-QZTJIDSGSA-N 2 0 358.486 1.242 20 30 FDEDRP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001106673555 876505151 /nfs/dbraw/zinc/50/51/51/876505151.db2.gz HGSGQJBVXDLCCV-KURKYZTESA-N 2 0 366.550 1.435 20 30 FDEDRP N#C[C@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000915542366 877025963 /nfs/dbraw/zinc/02/59/63/877025963.db2.gz KPXPAKMOPPADKC-QGZVFWFLSA-N 2 0 356.474 1.539 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CC1 ZINC000922414713 878102682 /nfs/dbraw/zinc/10/26/82/878102682.db2.gz YJGVSZCEJTVAKN-QFBILLFUSA-N 2 0 372.517 1.200 20 30 FDEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001034209868 883934856 /nfs/dbraw/zinc/93/48/56/883934856.db2.gz LGRATJKPDFAUEB-AQNXPRMDSA-N 2 0 361.530 1.727 20 30 FDEDRP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001034325193 884194839 /nfs/dbraw/zinc/19/48/39/884194839.db2.gz ZEFKUIAMVOQLDY-OTWHNJEPSA-N 2 0 365.518 1.413 20 30 FDEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129054711 885588317 /nfs/dbraw/zinc/58/83/17/885588317.db2.gz KRDSBSPZXOIKMZ-KSZLIROESA-N 2 0 360.506 1.460 20 30 FDEDRP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000923351525 888986510 /nfs/dbraw/zinc/98/65/10/888986510.db2.gz UBEZMVCRGSNVFW-AABGKKOBSA-N 2 0 351.450 1.972 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000921992452 893919911 /nfs/dbraw/zinc/91/99/11/893919911.db2.gz WDLSHTJNCQXBIC-YLJYHZDGSA-N 2 0 354.498 1.904 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@H]2O)CC1 ZINC001078227051 898427325 /nfs/dbraw/zinc/42/73/25/898427325.db2.gz GZWZGUVVSFSYAX-NSISKUIASA-N 2 0 355.482 1.254 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cccc(C#N)c3)C2)CC[N@@H+]1C ZINC001078405096 898746220 /nfs/dbraw/zinc/74/62/20/898746220.db2.gz DXKZSIRSINXRGS-NSISKUIASA-N 2 0 370.497 1.606 20 30 FDEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129300754 900978167 /nfs/dbraw/zinc/97/81/67/900978167.db2.gz GIAPSLBOQVQKLK-MSOLQXFVSA-N 2 0 360.506 1.318 20 30 FDEDRP C#CCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079260681 902299210 /nfs/dbraw/zinc/29/92/10/902299210.db2.gz KFGIGUZOCSCJOP-GBESFXJTSA-N 2 0 359.514 1.433 20 30 FDEDRP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107645439 906172877 /nfs/dbraw/zinc/17/28/77/906172877.db2.gz YRTYMWRTCSHANG-TZIWHRDSSA-N 2 0 361.530 1.873 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001082559469 908611589 /nfs/dbraw/zinc/61/15/89/908611589.db2.gz GDNXZJPVKCDRKY-ZNOIYHFQSA-N 2 0 358.461 1.974 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC001082920175 910890176 /nfs/dbraw/zinc/89/01/76/910890176.db2.gz UCHLKXPYOXSXKD-HHXXYDBFSA-N 2 0 356.470 1.477 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nccnc3C)C2)CC1 ZINC001082941081 911015091 /nfs/dbraw/zinc/01/50/91/911015091.db2.gz NQWGMYSYYPLEKN-DNVCBOLYSA-N 2 0 355.486 1.067 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](C[C@H]4CCOC4)[C@H]3C2)CC1 ZINC001085100584 920914014 /nfs/dbraw/zinc/91/40/14/920914014.db2.gz OYESSROOVSGBAB-GGPKGHCWSA-N 2 0 359.514 1.291 20 30 FDEDRP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001086588556 933622347 /nfs/dbraw/zinc/62/23/47/933622347.db2.gz AVZXWCJPVJRDMO-AZUAARDMSA-N 2 0 367.497 1.829 20 30 FDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894392 938555644 /nfs/dbraw/zinc/55/56/44/938555644.db2.gz FCQWHVBTELYQSA-BBWFWOEESA-N 2 0 360.506 1.459 20 30 FDEDRP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137423 938710551 /nfs/dbraw/zinc/71/05/51/938710551.db2.gz YSNHWPWLTIWJEK-MSOLQXFVSA-N 2 0 362.522 1.706 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130590184 939896289 /nfs/dbraw/zinc/89/62/89/939896289.db2.gz DBTKETGGWWOCTD-UHOSZYNNSA-N 2 0 357.502 1.200 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130594799 939902073 /nfs/dbraw/zinc/90/20/73/939902073.db2.gz ZMXBBZUBOBKARC-VXIBKDFQSA-N 2 0 359.518 1.611 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1c1cn(C)cn1 ZINC001130728563 940017123 /nfs/dbraw/zinc/01/71/23/940017123.db2.gz GSQDKMQNBNHLHW-PKOBYXMFSA-N 2 0 359.518 1.756 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131035468 940464933 /nfs/dbraw/zinc/46/49/33/940464933.db2.gz BHPWSEMXJUQRQC-GGPKGHCWSA-N 2 0 369.513 1.202 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131036064 940465579 /nfs/dbraw/zinc/46/55/79/940465579.db2.gz YOZLLDWBNBVPCM-QWFCFKBJSA-N 2 0 369.513 1.202 20 30 FDEDRP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001131522362 940705578 /nfs/dbraw/zinc/70/55/78/940705578.db2.gz DGKKCGARIDFNCL-CTNGQTDRSA-N 2 0 370.497 1.527 20 30 FDEDRP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001131564506 940740497 /nfs/dbraw/zinc/74/04/97/940740497.db2.gz MLJSXHHLRFAENK-QUCCMNQESA-N 2 0 361.530 1.727 20 30 FDEDRP C[NH+]1CCC[C@@]2(CCN(CC#CCN3CC[C@@]4(C3)CCC[N@@H+](C)C4)C2)C1 ZINC000815144044 941791510 /nfs/dbraw/zinc/79/15/10/941791510.db2.gz RTKDOUGCPNOYJN-SZPZYZBQSA-N 2 0 358.574 1.825 20 30 FDEDRP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000815860251 941996351 /nfs/dbraw/zinc/99/63/51/941996351.db2.gz CSYYDXZTADQBPB-KRWDZBQOSA-N 2 0 372.469 1.082 20 30 FDEDRP C#C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)C1CCOCC1 ZINC000823181823 945523019 /nfs/dbraw/zinc/52/30/19/945523019.db2.gz PAHKSOMGEZSPKT-MOPGFXCFSA-N 2 0 364.534 1.472 20 30 FDEDRP CC(C)(C)[NH2+]CCC(=O)N1CCN(C(=O)CC[NH2+]C(C)(C)C)[C@@H](C#N)C1 ZINC000825488214 947275026 /nfs/dbraw/zinc/27/50/26/947275026.db2.gz ATKOFFDZKJGLKO-HNNXBMFYSA-N 2 0 365.522 1.106 20 30 FDEDRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]Cc3ccc(OCC#N)cc3)C2)CC[N@@H+]1C ZINC001091036165 948536571 /nfs/dbraw/zinc/53/65/71/948536571.db2.gz XHZSYDSHFPTJII-CNXCKVANSA-N 2 0 370.497 1.914 20 30 FDEDRP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196251586 971569227 /nfs/dbraw/zinc/56/92/27/971569227.db2.gz LEJLBEJTGAGSIR-IPMKNSEASA-N 2 0 369.550 1.619 20 30 FDEDRP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001196300037 971614902 /nfs/dbraw/zinc/61/49/02/971614902.db2.gz QPNUJQFPRKWOHT-IYWMVGAKSA-N 2 0 357.498 1.459 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001086982230 952994881 /nfs/dbraw/zinc/99/48/81/952994881.db2.gz ABQDUMPKSCGDID-CEXWTWQISA-N 2 0 359.518 1.753 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001086993715 953027546 /nfs/dbraw/zinc/02/75/46/953027546.db2.gz ODPASELWEAVDQV-DLBZAZTESA-N 2 0 357.458 1.459 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](C[C@@H]4CCOC4)C[C@@]3(C)C2)CC1 ZINC001092299975 954747276 /nfs/dbraw/zinc/74/72/76/954747276.db2.gz MAKXLVHGSMQUHK-DSKINZAPSA-N 2 0 359.514 1.148 20 30 FDEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001092614636 955821371 /nfs/dbraw/zinc/82/13/71/955821371.db2.gz MTQNNYNPDRPDHS-UKRRQHHQSA-N 2 0 353.898 1.495 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3cnc(C)cn3)C[C@H]2C)CC1 ZINC001093223601 957852996 /nfs/dbraw/zinc/85/29/96/957852996.db2.gz CISSNHSDINXNSB-VQIMIIECSA-N 2 0 369.513 1.314 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]2C)CC1 ZINC001093224484 957855768 /nfs/dbraw/zinc/85/57/68/957855768.db2.gz YQMRYUZCKYPSOU-RLLQIKCJSA-N 2 0 361.530 1.585 20 30 FDEDRP O=C(C#CC1CC[NH2+]CC1)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000852868119 967673483 /nfs/dbraw/zinc/67/34/83/967673483.db2.gz NVJSFELOEGONSE-UHFFFAOYSA-N 2 0 368.481 1.454 20 30 FDEDRP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001190317076 967729678 /nfs/dbraw/zinc/72/96/78/967729678.db2.gz CLAHFSVMGMGSCH-VQTJNVASSA-N 2 0 355.482 1.544 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000645264544 1014159482 /nfs/dbraw/zinc/15/94/82/1014159482.db2.gz LHOAIADDXOVQGP-UHFFFAOYSA-N 2 0 350.507 1.533 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cc(F)cc(C#N)c2)C[C@H]1C[NH+](C)C ZINC000867591010 976452035 /nfs/dbraw/zinc/45/20/35/976452035.db2.gz XBPNQDHVXMWTNS-HUUCEWRRSA-N 2 0 368.478 1.057 20 30 FDEDRP CC[NH+]=C(NCC1CCN(C(C)=O)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000130680745 981866704 /nfs/dbraw/zinc/86/67/04/981866704.db2.gz ZAZAYTRUYBXLAZ-LJQANCHMSA-N 2 0 363.550 1.628 20 30 FDEDRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1 ZINC000884205439 982980948 /nfs/dbraw/zinc/98/09/48/982980948.db2.gz WSQYHQUMCNAZQG-CHWWFWEZSA-N 2 0 369.469 1.655 20 30 FDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC1([NH+]3CCCCC3)CCOCC1)C2 ZINC000884220165 982994872 /nfs/dbraw/zinc/99/48/72/982994872.db2.gz IKKCPXOMZZFXMC-TVRKMHQQSA-N 2 0 360.502 1.277 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC([NH3+])(CC)CC1)C(C)C ZINC000884614412 983277960 /nfs/dbraw/zinc/27/79/60/983277960.db2.gz MEIJAJFGARVUJX-QGZVFWFLSA-N 2 0 364.534 1.531 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000884642201 984648897 /nfs/dbraw/zinc/64/88/97/984648897.db2.gz CSJSFTFEQMSHIW-GOSISDBHSA-N 2 0 372.513 1.219 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000361576289 988417586 /nfs/dbraw/zinc/41/75/86/988417586.db2.gz NYBLXTYYIJZNQR-IEBWSBKVSA-N 2 0 364.534 1.827 20 30 FDEDRP C#CC[N@H+](C)CCCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000296653594 989348804 /nfs/dbraw/zinc/34/88/04/989348804.db2.gz TYBDHRIYNNNYOO-UHFFFAOYSA-N 2 0 356.514 1.948 20 30 FDEDRP C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(OCC#N)cc1 ZINC000371508493 990489131 /nfs/dbraw/zinc/48/91/31/990489131.db2.gz JUKMDHXWLOTZMY-MJGOQNOKSA-N 2 0 358.486 1.646 20 30 FDEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCC(=O)Nc2ccccc2C#N)CC1 ZINC000411805381 992621044 /nfs/dbraw/zinc/62/10/44/992621044.db2.gz HJVGZFLNPBYLTJ-UHFFFAOYSA-N 2 0 357.502 1.893 20 30 FDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000876760816 992883511 /nfs/dbraw/zinc/88/35/11/992883511.db2.gz QXBMMACUTQZCPF-OAHLLOKOSA-N 2 0 352.866 1.064 20 30 FDEDRP Cc1nsc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1C#N ZINC000926117487 995924285 /nfs/dbraw/zinc/92/42/85/995924285.db2.gz OBVFWCXKCJXYHB-OKILXGFUSA-N 2 0 360.487 1.756 20 30 FDEDRP C[NH+]1C[C@]2(C)CN(CC#CCN3C[C@]4(C)C[N@@H+](C)C[C@]4(C)C3)C[C@@]2(C)C1 ZINC000931313350 1004047024 /nfs/dbraw/zinc/04/70/24/1004047024.db2.gz BABBWXPNARCSEM-YSFYHYPLSA-N 2 0 358.574 1.537 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000303774958 1009576465 /nfs/dbraw/zinc/57/64/65/1009576465.db2.gz GKZQCVDPZYXSNO-HXUWFJFHSA-N 3 0 372.561 1.193 20 30 FDEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000303968966 1009780730 /nfs/dbraw/zinc/78/07/30/1009780730.db2.gz BFEZSZPRECQQTJ-HNNXBMFYSA-N 2 0 363.506 1.847 20 30 FDEDRP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1 ZINC000303986983 1009792585 /nfs/dbraw/zinc/79/25/85/1009792585.db2.gz VBCRTCSQRNQPCD-MRXNPFEDSA-N 2 0 364.490 1.261 20 30 FDEDRP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513818534 539006740 /nfs/dbraw/zinc/00/67/40/539006740.db2.gz FFXXTJXGSQVKDE-XLIONFOSSA-N 2 0 364.534 1.864 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000529304468 539817785 /nfs/dbraw/zinc/81/77/85/539817785.db2.gz FGSAWBMVFRSWIM-SFHVURJKSA-N 2 0 350.507 1.437 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000530233627 539916651 /nfs/dbraw/zinc/91/66/51/539916651.db2.gz ZDHLXDGKAGQHBB-HSALFYBXSA-N 2 0 373.497 1.655 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2nccn2CC(C)C)CC1 ZINC000553328208 543609838 /nfs/dbraw/zinc/60/98/38/543609838.db2.gz IZEJQFOAWUQYKP-UHFFFAOYSA-N 2 0 361.490 1.312 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)CC1 ZINC000553330496 543610576 /nfs/dbraw/zinc/61/05/76/543610576.db2.gz LEIHAKNVBUDTPF-UHFFFAOYSA-N 2 0 352.523 1.189 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000553735458 543688957 /nfs/dbraw/zinc/68/89/57/543688957.db2.gz UKBLZXYUDJRSOA-OAHLLOKOSA-N 2 0 352.523 1.236 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000557731984 544338115 /nfs/dbraw/zinc/33/81/15/544338115.db2.gz JJFPILQNLOKRGP-KRWDZBQOSA-N 2 0 350.507 1.086 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000559793578 544801036 /nfs/dbraw/zinc/80/10/36/544801036.db2.gz GBZGCZTUEGXCJR-IAGOWNOFSA-N 2 0 364.534 1.237 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000559833027 544813527 /nfs/dbraw/zinc/81/35/27/544813527.db2.gz ICQRESSMSOWGSY-QGZVFWFLSA-N 2 0 364.534 1.524 20 30 FDEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000073167820 522482661 /nfs/dbraw/zinc/48/26/61/522482661.db2.gz ZSMLMNLITAYHKY-HNNXBMFYSA-N 2 0 359.474 1.097 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1CN1CCOCC1 ZINC000104156843 525398398 /nfs/dbraw/zinc/39/83/98/525398398.db2.gz OGOFDFQYMYSJBW-LJQANCHMSA-N 2 0 359.518 1.407 20 30 FDEDRP COc1ccccc1CNC(=[NH2+])NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000170909733 525765938 /nfs/dbraw/zinc/76/59/38/525765938.db2.gz GKTJEJWGXYJEIG-UHFFFAOYSA-N 2 0 368.485 1.447 20 30 FDEDRP CN(CC[N@H+](C)CCC(=O)Nc1cccc(C#N)c1)C1CC[NH+](C)CC1 ZINC000180959430 525782197 /nfs/dbraw/zinc/78/21/97/525782197.db2.gz MUOPVYAPEKOUFF-UHFFFAOYSA-N 2 0 357.502 1.845 20 30 FDEDRP COCC[N@H+](C)CCNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000171213906 525901205 /nfs/dbraw/zinc/90/12/05/525901205.db2.gz XOCPVRULZCJHRW-UHFFFAOYSA-N 2 0 373.501 1.354 20 30 FDEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181720705 525906214 /nfs/dbraw/zinc/90/62/14/525906214.db2.gz BGQFNWAEHWJWMP-GOSISDBHSA-N 2 0 355.530 1.748 20 30 FDEDRP N#Cc1ccc(CN2CCC([NH2+]CCN3CCCS3(=O)=O)CC2)cc1 ZINC000181929410 525984490 /nfs/dbraw/zinc/98/44/90/525984490.db2.gz DVQJNSRJRJSXOX-UHFFFAOYSA-N 2 0 362.499 1.148 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000171718877 526091615 /nfs/dbraw/zinc/09/16/15/526091615.db2.gz DDCPCZRZAPFYFA-UHFFFAOYSA-N 2 0 357.502 1.996 20 30 FDEDRP CC[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262812086 536908505 /nfs/dbraw/zinc/90/85/05/536908505.db2.gz URKVBUKXNMUHDY-DLBZAZTESA-N 2 0 357.506 1.061 20 30 FDEDRP C[C@@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000266998695 536947564 /nfs/dbraw/zinc/94/75/64/536947564.db2.gz ZKXDSKAJVLGBAM-ZDUSSCGKSA-N 2 0 357.424 1.746 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)C(C)C ZINC000417073528 537998007 /nfs/dbraw/zinc/99/80/07/537998007.db2.gz YAQUHXLBRBXWEG-OALUTQOASA-N 2 0 363.550 1.374 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000561451044 545856839 /nfs/dbraw/zinc/85/68/39/545856839.db2.gz ZYZZKWVROKOQSJ-RDJZCZTQSA-N 2 0 350.507 1.084 20 30 FDEDRP C[NH+]1CCC(C[NH2+]Cc2cnc3ccc(C#N)cn23)(N2CCOCC2)CC1 ZINC000573457956 550142573 /nfs/dbraw/zinc/14/25/73/550142573.db2.gz IRYGKYIHOMEBIK-UHFFFAOYSA-N 2 0 368.485 1.092 20 30 FDEDRP N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000578610043 550782059 /nfs/dbraw/zinc/78/20/59/550782059.db2.gz IPSJTKDANJIWSA-LJQANCHMSA-N 2 0 371.485 1.154 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1ccsc1C#N ZINC000593524710 552122148 /nfs/dbraw/zinc/12/21/48/552122148.db2.gz RAZJDYBSAHMDAO-UHFFFAOYSA-N 2 0 358.533 1.514 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)NC3(C[NH3+])CCOCC3)CC2)c1 ZINC000599923426 553174721 /nfs/dbraw/zinc/17/47/21/553174721.db2.gz WEDHQLXZHFPEOQ-UHFFFAOYSA-N 2 0 371.485 1.330 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602848871 553650723 /nfs/dbraw/zinc/65/07/23/553650723.db2.gz OUVPNIAFAWHPRO-LJQANCHMSA-N 2 0 352.438 1.905 20 30 FDEDRP N#C[C@]1(F)CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000615537477 555209608 /nfs/dbraw/zinc/20/96/08/555209608.db2.gz ZGYYSKWMUXTAGF-GOSISDBHSA-N 2 0 360.437 1.241 20 30 FDEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NCCCN2CCOCC2)c1 ZINC000104152653 671594426 /nfs/dbraw/zinc/59/44/26/671594426.db2.gz VKBUBJYNPJZULR-UHFFFAOYSA-N 2 0 350.463 1.933 20 30 FDEDRP CCOCCC[N@@H+]1CC[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)C1 ZINC000249490023 672565558 /nfs/dbraw/zinc/56/55/58/672565558.db2.gz ZGEIVNZYUKUKCP-ZIFCJYIRSA-N 2 0 352.523 1.767 20 30 FDEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH+]CC)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000261656878 672644245 /nfs/dbraw/zinc/64/42/45/672644245.db2.gz AFYZOVXSXXUEGU-OAHLLOKOSA-N 2 0 358.552 1.193 20 30 FDEDRP CN(C)C(=O)C[NH+]=C(NCc1cccs1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262247144 672754074 /nfs/dbraw/zinc/75/40/74/672754074.db2.gz BFAKYSUHZMMYSD-OAHLLOKOSA-N 2 0 361.515 1.228 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCN1C)C(C)C ZINC000264774595 672924976 /nfs/dbraw/zinc/92/49/76/672924976.db2.gz TVEXTNVJEVAYGX-ZWKOTPCHSA-N 2 0 351.539 1.230 20 30 FDEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000329215115 676625818 /nfs/dbraw/zinc/62/58/18/676625818.db2.gz MEHQTTKKSNOILP-HMQMGEFJSA-N 2 0 350.507 1.901 20 30 FDEDRP C[C@@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@]2(CCCOC2)O1 ZINC000330099211 676672293 /nfs/dbraw/zinc/67/22/93/676672293.db2.gz CTGDIUPIBNBREZ-BEFAXECRSA-N 2 0 351.491 1.840 20 30 FDEDRP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000378424622 678746879 /nfs/dbraw/zinc/74/68/79/678746879.db2.gz FGAVGXCBRLYRJL-OALUTQOASA-N 2 0 350.551 1.759 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC([NH2+]C)CC1)C(C)C ZINC000419566296 680278666 /nfs/dbraw/zinc/27/86/66/680278666.db2.gz GDEIYGJGRSVNOD-KRWDZBQOSA-N 2 0 350.507 1.012 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(C)CC[N@H+](C)CC1)C(C)C ZINC000891940699 780307805 /nfs/dbraw/zinc/30/78/05/780307805.db2.gz RKXQPMCEVJXQHZ-LJQANCHMSA-N 2 0 365.566 1.574 20 30 FDEDRP C=CCN(CC=C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104625434 788979651 /nfs/dbraw/zinc/97/96/51/788979651.db2.gz MQRVMEUUBZOOJH-QZTJIDSGSA-N 2 0 364.534 1.213 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CC(CC)CC)C[C@@H]32)CC1 ZINC001083283598 791183724 /nfs/dbraw/zinc/18/37/24/791183724.db2.gz KHWLTIBMNYAJRN-VQTJNVASSA-N 2 0 361.530 1.679 20 30 FDEDRP C=C[C@H](CO)[NH2+]CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000662165376 806048940 /nfs/dbraw/zinc/04/89/40/806048940.db2.gz FHBZHOLLZFEFLF-IEBWSBKVSA-N 2 0 361.486 1.475 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)CC1 ZINC000364239997 795515753 /nfs/dbraw/zinc/51/57/53/795515753.db2.gz ABTWKCNWFPRWER-LPHOPBHVSA-N 2 0 374.533 1.753 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)C(C)C ZINC000662380730 806505689 /nfs/dbraw/zinc/50/56/89/806505689.db2.gz PCUSROCFYLWPGA-KRWDZBQOSA-N 2 0 360.506 1.631 20 30 FDEDRP C=CC[C@@]1(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CCC[NH2+]1 ZINC000662698282 806970462 /nfs/dbraw/zinc/97/04/62/806970462.db2.gz JFQKRVVCTPGING-FQEVSTJZSA-N 2 0 358.486 1.293 20 30 FDEDRP CC(=O)N1CCN(Cc2cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c2)CC1 ZINC000424164071 815321768 /nfs/dbraw/zinc/32/17/68/815321768.db2.gz BPJGQEQDGWASHE-SFHVURJKSA-N 2 0 357.458 1.310 20 30 FDEDRP C#Cc1cccc(NC(=O)CNC(N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)=[NH+]C)c1 ZINC000261962810 811355542 /nfs/dbraw/zinc/35/55/42/811355542.db2.gz KQIVEHFRWHBENU-KBXCAEBGSA-N 2 0 353.470 1.254 20 30 FDEDRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000328601733 819530384 /nfs/dbraw/zinc/53/03/84/819530384.db2.gz FZQTYIVSZGYBDJ-MJGOQNOKSA-N 2 0 365.566 1.923 20 30 FDEDRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000328601732 819530595 /nfs/dbraw/zinc/53/05/95/819530595.db2.gz FZQTYIVSZGYBDJ-IEBWSBKVSA-N 2 0 365.566 1.923 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC000284210919 820142454 /nfs/dbraw/zinc/14/24/54/820142454.db2.gz WSHRFVPNVVVTCU-QZTJIDSGSA-N 2 0 364.534 1.211 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cnc(C)o3)[C@@H]2CC)CC1 ZINC001087839994 822558699 /nfs/dbraw/zinc/55/86/99/822558699.db2.gz CKGFNSQRCHMHTL-RBUKOAKNSA-N 2 0 358.486 1.797 20 30 FDEDRP CC[NH+]1CCC(NC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CC1 ZINC000329623554 825042114 /nfs/dbraw/zinc/04/21/14/825042114.db2.gz HMWCFJBGMFZFAB-UHFFFAOYSA-N 2 0 365.566 1.925 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccn4)CC[C@@H]3C2)CC1 ZINC001088212206 827493861 /nfs/dbraw/zinc/49/38/61/827493861.db2.gz VHFJUEKTLNVHAM-UXHICEINSA-N 2 0 366.509 1.707 20 30 FDEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000526169915 828853055 /nfs/dbraw/zinc/85/30/55/828853055.db2.gz QYXBKUYPFWXPTR-UHFFFAOYSA-N 2 0 370.461 1.096 20 30 FDEDRP C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000451606179 830401168 /nfs/dbraw/zinc/40/11/68/830401168.db2.gz MDGBUYNZRBWBTF-UXHICEINSA-N 2 0 357.498 1.962 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)COCC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105668748 844090813 /nfs/dbraw/zinc/09/08/13/844090813.db2.gz ZACDKOMKUANLKP-IZBJGVDFSA-N 2 0 367.534 1.107 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000264089891 838510234 /nfs/dbraw/zinc/51/02/34/838510234.db2.gz KPTOUOJGRWOTMJ-FXAWDEMLSA-N 2 0 373.545 1.796 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3([NH+](C)C)CCC3)[C@H]2C(C)C)C[C@H]1O ZINC001105637065 842270255 /nfs/dbraw/zinc/27/02/55/842270255.db2.gz IXXKPGUDPUMATN-XSYGEPLQSA-N 2 0 361.530 1.460 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)[N@@H+](C)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105642102 842303186 /nfs/dbraw/zinc/30/31/86/842303186.db2.gz HQNHDZKINYJOFP-WIRSXHRWSA-N 2 0 363.546 1.706 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105658468 842502664 /nfs/dbraw/zinc/50/26/64/842502664.db2.gz HEWSBSUNYDSTCD-LFGUQSLTSA-N 2 0 351.535 1.870 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4ncccc4C)C[C@H]32)CC1 ZINC001076604551 848553747 /nfs/dbraw/zinc/55/37/47/848553747.db2.gz LTECTEZUIHKXQA-PZJWPPBQSA-N 2 0 366.509 1.768 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC[C@H]4CCOC4)C[C@H]32)CC1 ZINC001076605449 848556068 /nfs/dbraw/zinc/55/60/68/848556068.db2.gz AYDYSZUSFGDZBO-YSIASYRMSA-N 2 0 359.514 1.291 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)C(=C)CC[NH+](C)C ZINC000912075573 859330824 /nfs/dbraw/zinc/33/08/24/859330824.db2.gz PYDBXVRXDWKQIB-ROUUACIJSA-N 2 0 364.534 1.546 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC[C@@H]3CCCCO3)[C@@H]2C)CC1 ZINC001089059224 866384063 /nfs/dbraw/zinc/38/40/63/866384063.db2.gz FDBCMCZYMGABSH-HOJAQTOUSA-N 2 0 361.530 1.870 20 30 FDEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001106357737 874895661 /nfs/dbraw/zinc/89/56/61/874895661.db2.gz MGKFSGKLRQGRKU-KURKYZTESA-N 2 0 364.534 1.093 20 30 FDEDRP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106623208 876254191 /nfs/dbraw/zinc/25/41/91/876254191.db2.gz MMCQDBJFEBEIHR-FGTMMUONSA-N 2 0 366.550 1.435 20 30 FDEDRP C#CC[NH+](C)CCCNC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000922626535 878844093 /nfs/dbraw/zinc/84/40/93/878844093.db2.gz BWCXIIUKGIBIMS-MLYOOKFZSA-N 2 0 364.534 1.111 20 30 FDEDRP C=CCN1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC001034648025 884615009 /nfs/dbraw/zinc/61/50/09/884615009.db2.gz UYJZKNQOBGPIQK-DUQPFJRNSA-N 2 0 362.518 1.131 20 30 FDEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)CC2 ZINC001035707169 886338394 /nfs/dbraw/zinc/33/83/94/886338394.db2.gz DTMROVYGRBQNBT-MOPGFXCFSA-N 2 0 361.530 1.844 20 30 FDEDRP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204506 886371790 /nfs/dbraw/zinc/37/17/90/886371790.db2.gz GUPCHDXJIYLRLO-MSOLQXFVSA-N 2 0 362.522 1.708 20 30 FDEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276643 887652560 /nfs/dbraw/zinc/65/25/60/887652560.db2.gz PNSXANRZIYLOPZ-SJORKVTESA-N 2 0 362.522 1.564 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)C(C)C ZINC000671082061 896162149 /nfs/dbraw/zinc/16/21/49/896162149.db2.gz QPFZBSZDSZVMQO-IAGOWNOFSA-N 2 0 350.507 1.012 20 30 FDEDRP C=C(C)CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC000999986963 896519554 /nfs/dbraw/zinc/51/95/54/896519554.db2.gz LJIYVUHIACELRH-KBAYOESNSA-N 2 0 360.506 1.448 20 30 FDEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001107029238 899641770 /nfs/dbraw/zinc/64/17/70/899641770.db2.gz PLJTXQZFTARVJH-YLJYHZDGSA-N 2 0 357.498 1.696 20 30 FDEDRP C=CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2CC[NH+](C)CC2)C1 ZINC001079142724 901950401 /nfs/dbraw/zinc/95/04/01/901950401.db2.gz QODZBJRDHHKQPQ-WOJBJXKFSA-N 2 0 357.498 1.588 20 30 FDEDRP C#CC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079245575 902254221 /nfs/dbraw/zinc/25/42/21/902254221.db2.gz AJYJAUZGIHELFE-GBESFXJTSA-N 2 0 359.514 1.433 20 30 FDEDRP CC#CC[NH+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079258132 902291127 /nfs/dbraw/zinc/29/11/27/902291127.db2.gz OSGHBUNISSBFHD-RBUKOAKNSA-N 2 0 359.514 1.291 20 30 FDEDRP C=CCC[C@H](C)[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC001107172592 903548055 /nfs/dbraw/zinc/54/80/55/903548055.db2.gz BFJZNFOKXRJHPQ-HDMKZQKVSA-N 2 0 360.506 1.446 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000996607365 904348786 /nfs/dbraw/zinc/34/87/86/904348786.db2.gz NTAGDKSGZDCNSL-DNVCBOLYSA-N 2 0 370.497 1.988 20 30 FDEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)C[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107449297 904969371 /nfs/dbraw/zinc/96/93/71/904969371.db2.gz DFZNVKDKTLSNHW-WIYYLYMNSA-N 2 0 361.530 1.729 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@H]2C)CC1 ZINC001080997891 906974109 /nfs/dbraw/zinc/97/41/09/906974109.db2.gz OAVNULCQVABOQN-DYESRHJHSA-N 2 0 369.509 1.461 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC001082515744 908186304 /nfs/dbraw/zinc/18/63/04/908186304.db2.gz XDORVDWQUSDURC-HEFCMCLBSA-N 2 0 370.472 1.976 20 30 FDEDRP CC[NH+]=C(NC[C@@H](C)[NH+]1CCC(C)CC1)N1CCN(c2ncccn2)CC1 ZINC000073446928 909731571 /nfs/dbraw/zinc/73/15/71/909731571.db2.gz KVBVKJXTYNJNQN-GOSISDBHSA-N 2 0 373.549 1.685 20 30 FDEDRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(OCC#N)cc4)C[C@H]32)C1 ZINC001084830485 917508583 /nfs/dbraw/zinc/50/85/83/917508583.db2.gz XBDRZJHWUAIBPQ-WSTZPKSXSA-N 2 0 368.481 1.573 20 30 FDEDRP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)C[C@@H]21 ZINC001084957558 918840215 /nfs/dbraw/zinc/84/02/15/918840215.db2.gz GUCOYVIOOXCREV-HOJAQTOUSA-N 2 0 359.514 1.576 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4conc4C)[C@H]3C2)CC1 ZINC001085100486 920914786 /nfs/dbraw/zinc/91/47/86/920914786.db2.gz GQERJUQVDDUJEJ-XLIONFOSSA-N 2 0 370.497 1.751 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000734274647 923152900 /nfs/dbraw/zinc/15/29/00/923152900.db2.gz APXSDVPJYFERGH-IBGZPJMESA-N 2 0 364.534 1.970 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnc(C)cn2)CC1 ZINC001085432512 924678848 /nfs/dbraw/zinc/67/88/48/924678848.db2.gz BMPSXZURXSBPFI-WOJBJXKFSA-N 2 0 369.513 1.647 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(C)ncn2)CC1 ZINC001085432693 924680205 /nfs/dbraw/zinc/68/02/05/924680205.db2.gz KULIQLKATIKDAW-WOJBJXKFSA-N 2 0 369.513 1.647 20 30 FDEDRP C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169131228 928290403 /nfs/dbraw/zinc/29/04/03/928290403.db2.gz RYSWYYKRUJAKQX-XODKDNOYSA-N 2 0 360.546 1.795 20 30 FDEDRP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685026 938485012 /nfs/dbraw/zinc/48/50/12/938485012.db2.gz LTBWPFYMCIYCHT-KURKYZTESA-N 2 0 360.506 1.460 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130139773 938711693 /nfs/dbraw/zinc/71/16/93/938711693.db2.gz HMCUXEMNWRRXLL-SQNIBIBYSA-N 2 0 360.506 1.316 20 30 FDEDRP C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001130293338 938796894 /nfs/dbraw/zinc/79/68/94/938796894.db2.gz VAGFMNFPCJSHOD-LMMKCTJWSA-N 2 0 364.534 1.378 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130614878 939912426 /nfs/dbraw/zinc/91/24/26/939912426.db2.gz GCTHKPDYQBWWMU-QXAKKESOSA-N 2 0 359.518 1.755 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130602593 939914183 /nfs/dbraw/zinc/91/41/83/939914183.db2.gz JSSDAQXRZDVMBJ-LZLYRXPVSA-N 2 0 365.497 1.560 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130603111 939915020 /nfs/dbraw/zinc/91/50/20/939915020.db2.gz ZISNETGBIUTZJE-XYJFISCASA-N 2 0 363.481 1.007 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1cncn1C ZINC001130994104 940416717 /nfs/dbraw/zinc/41/67/17/940416717.db2.gz GTIYXYJZXVKFQB-BRSBDYLESA-N 2 0 359.518 1.611 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1c1cncn1C ZINC001131003483 940429553 /nfs/dbraw/zinc/42/95/53/940429553.db2.gz GNRWXWCSBAIXEA-KZNAEPCWSA-N 2 0 359.518 1.755 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001131012422 940444226 /nfs/dbraw/zinc/44/42/26/940444226.db2.gz IKZLMQMBVRVUAY-KZNAEPCWSA-N 2 0 359.518 1.755 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1c1cncn1C ZINC001131070111 940484332 /nfs/dbraw/zinc/48/43/32/940484332.db2.gz GCOGBIWMOUTHFI-RCCFBDPRSA-N 2 0 359.518 1.612 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001131081974 940487851 /nfs/dbraw/zinc/48/78/51/940487851.db2.gz GSYQJXKHIMGJQS-QRVBRYPASA-N 2 0 371.529 1.590 20 30 FDEDRP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001131511965 940693655 /nfs/dbraw/zinc/69/36/55/940693655.db2.gz GFFOXWJZUIHKQF-AQNXPRMDSA-N 2 0 361.530 1.870 20 30 FDEDRP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001131564939 940740876 /nfs/dbraw/zinc/74/08/76/940740876.db2.gz YLKKDDKXNWFZPY-QUCCMNQESA-N 2 0 361.530 1.727 20 30 FDEDRP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001131574554 940751211 /nfs/dbraw/zinc/75/12/11/940751211.db2.gz DIEDZFXXWHTXSK-CTNGQTDRSA-N 2 0 361.530 1.727 20 30 FDEDRP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001131575127 940751979 /nfs/dbraw/zinc/75/19/79/940751979.db2.gz PXRJWWAQPXOARK-CTNGQTDRSA-N 2 0 361.530 1.727 20 30 FDEDRP C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001131593080 940764502 /nfs/dbraw/zinc/76/45/02/940764502.db2.gz LEDKQLBZHIPOCI-MJGOQNOKSA-N 2 0 353.507 1.126 20 30 FDEDRP C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001131583179 940769305 /nfs/dbraw/zinc/76/93/05/940769305.db2.gz UIVOQTROPGDJAN-QUCCMNQESA-N 2 0 367.534 1.517 20 30 FDEDRP C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001131608614 940788557 /nfs/dbraw/zinc/78/85/57/940788557.db2.gz HYEJZWFVVDPPSE-QUCCMNQESA-N 2 0 367.534 1.515 20 30 FDEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001086762844 942407207 /nfs/dbraw/zinc/40/72/07/942407207.db2.gz CVMBALBMHNNEDP-CFFMVQJASA-N 2 0 353.894 1.477 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1c1ccc(OC)cc1 ZINC001090880837 947596471 /nfs/dbraw/zinc/59/64/71/947596471.db2.gz MLSVTYSEJOUFFM-VQTJNVASSA-N 2 0 369.509 1.944 20 30 FDEDRP C#Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)cc1 ZINC001144571856 949952944 /nfs/dbraw/zinc/95/29/44/949952944.db2.gz KVYHFCJVJMYQEK-UHFFFAOYSA-N 2 0 368.525 1.338 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCC[C@@H](C[NH3+])C3)CC2)c1 ZINC000846213116 950786019 /nfs/dbraw/zinc/78/60/19/950786019.db2.gz GSBNQAWQBDYFCX-SFHVURJKSA-N 2 0 355.486 1.903 20 30 FDEDRP NC(=O)c1ccc(C(=[NH2+])Nc2ccc([C@@]34CC[NH2+][C@@H]3COCC4)cc2)cc1 ZINC001171255520 951647971 /nfs/dbraw/zinc/64/79/71/951647971.db2.gz AYHROIQVWVVDNB-NQIIRXRSSA-N 2 0 364.449 1.843 20 30 FDEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)[C@@H](C)C1 ZINC000772981438 952410058 /nfs/dbraw/zinc/41/00/58/952410058.db2.gz DFORHVLKEBSVAV-MKRGEVTBSA-N 2 0 364.490 1.239 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC[C@H]3CCOC3)C2)CC1 ZINC001086882303 952913818 /nfs/dbraw/zinc/91/38/18/952913818.db2.gz KXNZDQXXEXYNSJ-CMKODMSKSA-N 2 0 361.530 1.633 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cncn3C)C2)CC1 ZINC001086882404 952914499 /nfs/dbraw/zinc/91/44/99/952914499.db2.gz PPFVYPPRFAWDIJ-FUHWJXTLSA-N 2 0 357.502 1.140 20 30 FDEDRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ccc(C#N)cc4F)C[C@@]3(C)C2)C1 ZINC001092273965 954660582 /nfs/dbraw/zinc/66/05/82/954660582.db2.gz YDZPSRROIXDVMT-UEXGIBASSA-N 2 0 370.472 1.929 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](C[C@H]4CCOC4)C[C@@]3(C)C2)CC1 ZINC001092299976 954747052 /nfs/dbraw/zinc/74/70/52/954747052.db2.gz MAKXLVHGSMQUHK-QFUCXCTJSA-N 2 0 359.514 1.148 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)/C=C\c2ccc(F)cc2)C[C@H]1C[NH+](C)C ZINC001171394105 957355206 /nfs/dbraw/zinc/35/52/06/957355206.db2.gz YGWRUGCTBQGZDS-GJWDQICYSA-N 2 0 361.461 1.606 20 30 FDEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[NH+]3CCCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001093480885 958304477 /nfs/dbraw/zinc/30/44/77/958304477.db2.gz PRKFHVBWAZDJRM-RWQQGDIJSA-N 2 0 369.937 1.801 20 30 FDEDRP C#CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001093487372 958310664 /nfs/dbraw/zinc/31/06/64/958310664.db2.gz COHIZCCRCNABSM-FCGDIQPGSA-N 2 0 367.497 1.286 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F ZINC001093672724 958514267 /nfs/dbraw/zinc/51/42/67/958514267.db2.gz BKVINIJPHVRFHS-LSBZLQRGSA-N 2 0 358.461 1.976 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCOC(C)C)CC1 ZINC001110152255 959532462 /nfs/dbraw/zinc/53/24/62/959532462.db2.gz LNBQXGAHVTUBJG-AABGKKOBSA-N 2 0 361.530 1.868 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC001094220609 960042664 /nfs/dbraw/zinc/04/26/64/960042664.db2.gz JPXIWBUCKDXMGV-NZSAHSFTSA-N 2 0 370.497 1.725 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N ZINC001094221166 960046740 /nfs/dbraw/zinc/04/67/40/960046740.db2.gz VACYPTLLAAZZTH-UWWQBHOKSA-N 2 0 358.461 1.833 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3cnc(C)o3)[C@H](C)C2)CC1 ZINC001094239989 960158275 /nfs/dbraw/zinc/15/82/75/960158275.db2.gz LVJFUNVJLQGFJT-CRAIPNDOSA-N 2 0 358.486 1.512 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)on3)[C@H](C)C2)CC1 ZINC001094239905 960158497 /nfs/dbraw/zinc/15/84/97/960158497.db2.gz JFZXUUXJFZXOCE-CRAIPNDOSA-N 2 0 358.486 1.512 20 30 FDEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474437 960641703 /nfs/dbraw/zinc/64/17/03/960641703.db2.gz ZORMONMCFTUZIA-LONDADKYSA-N 2 0 359.514 1.787 20 30 FDEDRP C[N@@H+]1CCCN(CC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172976712 961860422 /nfs/dbraw/zinc/86/04/22/961860422.db2.gz SCOSQUZNCWNWDP-IRXDYDNUSA-N 2 0 365.522 1.505 20 30 FDEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001185783910 964100612 /nfs/dbraw/zinc/10/06/12/964100612.db2.gz LMFZHPIYMKNUDH-AQNXPRMDSA-N 2 0 357.498 1.725 20 30 FDEDRP C=CCNC(=S)N1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001200293481 974744391 /nfs/dbraw/zinc/74/43/91/974744391.db2.gz VNBHCKGHQUVAKB-UHFFFAOYSA-N 2 0 365.591 1.223 20 30 FDEDRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000867959433 977143067 /nfs/dbraw/zinc/14/30/67/977143067.db2.gz ZFQKWXWYVLBIQP-UYAOXDASSA-N 2 0 370.497 1.704 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000849081901 977306984 /nfs/dbraw/zinc/30/69/84/977306984.db2.gz PQNYPYYEWFGVPR-RBSFLKMASA-N 2 0 364.494 1.344 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849522201 977716298 /nfs/dbraw/zinc/71/62/98/977716298.db2.gz JWRHRHFZJIQNGE-RTBURBONSA-N 2 0 359.518 1.612 20 30 FDEDRP C=CCOC(=O)[C@@H](N)CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000884326247 983086962 /nfs/dbraw/zinc/08/69/62/983086962.db2.gz OAUHBOXKDQYZLG-SFHVURJKSA-N 2 0 374.485 1.602 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000876920917 992968082 /nfs/dbraw/zinc/96/80/82/992968082.db2.gz FTPYTONUNFYKQG-XUVXKRRUSA-N 2 0 364.424 1.837 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000876957676 992982268 /nfs/dbraw/zinc/98/22/68/992982268.db2.gz ZBDPFVKBXJCGLD-ICSRJNTNSA-N 2 0 352.482 1.983 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000876957472 992982291 /nfs/dbraw/zinc/98/22/91/992982291.db2.gz XHRBXIRPZUIDPX-QUCCMNQESA-N 2 0 352.482 1.983 20 30 FDEDRP C[C@H]1CCCC[N@@H+]1CCCCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264082291 997398240 /nfs/dbraw/zinc/39/82/40/997398240.db2.gz HUJYGICHUUAXLN-KRWDZBQOSA-N 2 0 359.522 1.568 20 30 FDEDRP C[NH+](C)CCNC(=O)c1cccc(CNC(=[NH2+])NCCc2ccccc2)c1 ZINC000104181847 998315628 /nfs/dbraw/zinc/31/56/28/998315628.db2.gz SAJORAYBOAMILV-UHFFFAOYSA-N 2 0 367.497 1.625 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000285348691 999910614 /nfs/dbraw/zinc/91/06/14/999910614.db2.gz YJZOSHAMUGRIRJ-LJQANCHMSA-N 2 0 372.513 1.042 20 30 FDEDRP C#CC1(O)CC[NH+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000931146291 1003922722 /nfs/dbraw/zinc/92/27/22/1003922722.db2.gz CFSVBNOORASQSG-SFHVURJKSA-N 2 0 369.509 1.616 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)C(C)C ZINC000642769875 1007890913 /nfs/dbraw/zinc/89/09/13/1007890913.db2.gz RGGJNRSBMWBWKV-OKZBNKHCSA-N 2 0 362.518 1.012 20 30 FDEDRP COc1ccc(CNC(=[NH2+])NCCCC[NH+]2CCN(C)CC2)cc1OC ZINC000303894978 1009680067 /nfs/dbraw/zinc/68/00/67/1009680067.db2.gz PGXNYOPTIGMNKP-UHFFFAOYSA-N 2 0 363.506 1.136 20 30 FDEDRP C[NH+]1CCN(c2cc(CNC(=[NH2+])NCCc3ccccc3)ccn2)CC1 ZINC000303906430 1009688170 /nfs/dbraw/zinc/68/81/70/1009688170.db2.gz WBGCSSRXKOCSAC-UHFFFAOYSA-N 2 0 352.486 1.480 20 30 FDEDRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000245943128 178390109 /nfs/dbraw/zinc/39/01/09/178390109.db2.gz VTAAJTQXPZYQCT-RTBURBONSA-N 2 0 358.486 1.010 20 30 FDEDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000541867367 541284906 /nfs/dbraw/zinc/28/49/06/541284906.db2.gz YAMDZFZMIJNAAN-UHFFFAOYSA-N 2 0 358.895 1.326 20 30 FDEDRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCOc3ccc(C#N)cc3OC)C2)CC1 ZINC000132983696 173250272 /nfs/dbraw/zinc/25/02/72/173250272.db2.gz TZXWOUXBCLBXDY-GOSISDBHSA-N 2 0 358.486 1.657 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000557767448 544343886 /nfs/dbraw/zinc/34/38/86/544343886.db2.gz NSHQYXNQLMJASC-DLBZAZTESA-N 2 0 350.507 1.132 20 30 FDEDRP N#Cc1cc([N+](=O)[O-])cnc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299533137 259004256 /nfs/dbraw/zinc/00/42/56/259004256.db2.gz HBSMWESOLHWYGP-UHFFFAOYSA-N 2 0 367.413 1.881 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000176337880 525085389 /nfs/dbraw/zinc/08/53/89/525085389.db2.gz WIIGZZQFRBDULA-UHFFFAOYSA-N 2 0 352.523 1.825 20 30 FDEDRP Cn1cc(C[NH2+]CC2CC[NH+](CCO)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180174929 525670160 /nfs/dbraw/zinc/67/01/60/525670160.db2.gz IUCILRXPMNHZKK-UHFFFAOYSA-N 2 0 353.470 1.753 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000106330745 525692634 /nfs/dbraw/zinc/69/26/34/525692634.db2.gz DQOXERZYENKOBC-UHFFFAOYSA-N 2 0 351.539 1.352 20 30 FDEDRP C[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)CN1CC[NH+](C)CC1 ZINC000181689376 525891510 /nfs/dbraw/zinc/89/15/10/525891510.db2.gz OBAMGOSQJSJYRW-IBGZPJMESA-N 2 0 369.557 1.996 20 30 FDEDRP C#CCOc1ccccc1CNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000265204294 537152275 /nfs/dbraw/zinc/15/22/75/537152275.db2.gz UKUZEMDXRUWEQW-UHFFFAOYSA-N 2 0 372.513 1.866 20 30 FDEDRP CC[NH+]1CCC(NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)CC1 ZINC000329914378 537645122 /nfs/dbraw/zinc/64/51/22/537645122.db2.gz PCQHYQLADWMJHU-RDJZCZTQSA-N 2 0 366.485 1.320 20 30 FDEDRP C[C@H]1CCC[N@H+](CCCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000564843649 547063666 /nfs/dbraw/zinc/06/36/66/547063666.db2.gz DVWWMMQIHMYQNZ-INIZCTEOSA-N 2 0 364.515 1.829 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000580109700 550944722 /nfs/dbraw/zinc/94/47/22/550944722.db2.gz MOSPGELAIOJJBL-UHFFFAOYSA-N 2 0 362.518 1.230 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)C[NH2+]C[C@@H]3CCCO3)CC2)c1 ZINC000593918714 552225413 /nfs/dbraw/zinc/22/54/13/552225413.db2.gz GJLKZSLISLXWIC-IBGZPJMESA-N 2 0 356.470 1.407 20 30 FDEDRP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000594437898 552309579 /nfs/dbraw/zinc/30/95/79/552309579.db2.gz LJEDHOXWLZDNQB-WMZOPIPTSA-N 2 0 371.485 1.734 20 30 FDEDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cn2)CC1 ZINC000594437495 552310040 /nfs/dbraw/zinc/31/00/40/552310040.db2.gz CLJUFLJHFXPLCJ-QGZVFWFLSA-N 2 0 358.490 1.251 20 30 FDEDRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000597943059 552848687 /nfs/dbraw/zinc/84/86/87/552848687.db2.gz TUUWMUKMSYHVOX-INIZCTEOSA-N 2 0 368.485 1.746 20 30 FDEDRP COc1cc(C#N)ccc1OCC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000602599598 553610614 /nfs/dbraw/zinc/61/06/14/553610614.db2.gz CYLWFHKJCAPKLN-UHFFFAOYSA-N 2 0 367.409 1.389 20 30 FDEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000602696754 553624199 /nfs/dbraw/zinc/62/41/99/553624199.db2.gz RVXDGNVWUPWCLI-SFHVURJKSA-N 2 0 364.534 1.472 20 30 FDEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000602696727 553624219 /nfs/dbraw/zinc/62/42/19/553624219.db2.gz RVXDGNVWUPWCLI-GOSISDBHSA-N 2 0 364.534 1.472 20 30 FDEDRP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000634340260 558452506 /nfs/dbraw/zinc/45/25/06/558452506.db2.gz HQLPYSFOGBDCLO-KURKYZTESA-N 2 0 374.533 1.776 20 30 FDEDRP CC[NH+]=C(NCC1(SC)CCOCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262751216 672841362 /nfs/dbraw/zinc/84/13/62/672841362.db2.gz BWTVMDTZMPDDLM-INIZCTEOSA-N 2 0 352.548 1.810 20 30 FDEDRP CC[NH+]=C(NC[C@]1(N(C)C)CCSC1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262812968 672851065 /nfs/dbraw/zinc/85/10/65/672851065.db2.gz UWVZEPYKLLPPCO-RGPMPMONSA-N 2 0 367.607 1.994 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000284523001 675724363 /nfs/dbraw/zinc/72/43/63/675724363.db2.gz TZQLHADMVMDXQF-OAHLLOKOSA-N 2 0 364.515 1.234 20 30 FDEDRP COc1ccc(NC(=[NH2+])NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000303777052 676542772 /nfs/dbraw/zinc/54/27/72/676542772.db2.gz ILOHOEKHIGKKJN-OKILXGFUSA-N 2 0 350.463 1.930 20 30 FDEDRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000303889635 676543713 /nfs/dbraw/zinc/54/37/13/676543713.db2.gz PPYAASXOQNSRHJ-IRXDYDNUSA-N 2 0 353.555 1.370 20 30 FDEDRP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000329776419 676655081 /nfs/dbraw/zinc/65/50/81/676655081.db2.gz OCIOQPNUPOLPIC-IAGOWNOFSA-N 2 0 352.523 1.864 20 30 FDEDRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329978941 676666847 /nfs/dbraw/zinc/66/68/47/676666847.db2.gz INZNSYKXKJHHTQ-SJORKVTESA-N 2 0 351.539 1.533 20 30 FDEDRP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[N@@H+]1C1CC1 ZINC000330189215 676677539 /nfs/dbraw/zinc/67/75/39/676677539.db2.gz VBOBTPAHXMMFRW-SIUPPRGNSA-N 2 0 350.507 1.493 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)C(C)C ZINC000419574912 680281343 /nfs/dbraw/zinc/28/13/43/680281343.db2.gz VCLLXAMGNGOIOF-SJORKVTESA-N 2 0 350.507 1.060 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(C[C@H](C)O)CC1)C(C)C ZINC000480570657 686190315 /nfs/dbraw/zinc/19/03/15/686190315.db2.gz WGVSMYYBLXNHJM-ZWKOTPCHSA-N 2 0 352.523 1.393 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(C[C@H](C)O)CC1)C(C)C ZINC000480570655 686190518 /nfs/dbraw/zinc/19/05/18/686190518.db2.gz WGVSMYYBLXNHJM-ROUUACIJSA-N 2 0 352.523 1.393 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000519283695 690196944 /nfs/dbraw/zinc/19/69/44/690196944.db2.gz WXHHNDOQBWBPDL-SFHVURJKSA-N 2 0 352.523 1.683 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC1 ZINC000527768978 694689542 /nfs/dbraw/zinc/68/95/42/694689542.db2.gz UUTVDPWJIZIMKC-UHFFFAOYSA-N 2 0 350.507 1.533 20 30 FDEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001104310783 774562261 /nfs/dbraw/zinc/56/22/61/774562261.db2.gz IKLODHZJGOBGII-KURKYZTESA-N 2 0 364.534 1.237 20 30 FDEDRP CNC(=O)CC1CCN(C(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)=[NH+]C)CC1 ZINC000261706739 774867511 /nfs/dbraw/zinc/86/75/11/774867511.db2.gz GSVGESPGXGUHIX-JXFKEZNVSA-N 2 0 365.566 1.920 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001111950880 786995570 /nfs/dbraw/zinc/99/55/70/786995570.db2.gz GMMBUWFYYHPDPO-ZWOKBUDYSA-N 2 0 364.534 1.380 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001104595023 788788243 /nfs/dbraw/zinc/78/82/43/788788243.db2.gz GLYZOODXHDUCLT-IXDOHACOSA-N 2 0 364.534 1.093 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])C(C)C ZINC000659702642 789535556 /nfs/dbraw/zinc/53/55/56/789535556.db2.gz UNUNWWLHKRLUCS-SQNIBIBYSA-N 2 0 364.534 1.387 20 30 FDEDRP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974602690 799882327 /nfs/dbraw/zinc/88/23/27/799882327.db2.gz MSKWCSVYARJLCM-QYZOEREBSA-N 2 0 361.530 1.583 20 30 FDEDRP C=CC[C@]1(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CCC[NH2+]1 ZINC000662700652 806972444 /nfs/dbraw/zinc/97/24/44/806972444.db2.gz JFSNUQUMVKCADF-LJQANCHMSA-N 2 0 358.442 1.793 20 30 FDEDRP C=CC[C@@]1(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CCC[NH2+]1 ZINC000662750774 803034591 /nfs/dbraw/zinc/03/45/91/803034591.db2.gz GIDSRTQRCLBSHV-FQEVSTJZSA-N 2 0 364.534 1.428 20 30 FDEDRP COc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1C#N ZINC001028550377 810621450 /nfs/dbraw/zinc/62/14/50/810621450.db2.gz OPOGRTQMLXQGIF-SZVBFZGTSA-N 2 0 370.497 1.845 20 30 FDEDRP Cc1nnc(CNC(NC2CC[NH+](C(C)C)CC2)=[NH+]C2CCCC2)n1C ZINC000261931043 816323636 /nfs/dbraw/zinc/32/36/36/816323636.db2.gz BIQZODDDTOMGJT-UHFFFAOYSA-N 2 0 361.538 1.974 20 30 FDEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C(F)(F)F ZINC001112154410 819725887 /nfs/dbraw/zinc/72/58/87/819725887.db2.gz KDXLDANSTOIMPF-ZIAGYGMSSA-N 2 0 363.424 1.510 20 30 FDEDRP C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001112159947 820434381 /nfs/dbraw/zinc/43/43/81/820434381.db2.gz IXJWTNAJWKTIKE-HZPDHXFCSA-N 2 0 368.403 1.989 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000521611618 821313591 /nfs/dbraw/zinc/31/35/91/821313591.db2.gz FYZPHONWJLUFKH-HMXCVIKNSA-N 2 0 373.497 1.655 20 30 FDEDRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC001087828249 822519763 /nfs/dbraw/zinc/51/97/63/822519763.db2.gz FMMSZGGGSCQUCG-NZSAHSFTSA-N 2 0 370.497 1.988 20 30 FDEDRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000329454291 824805418 /nfs/dbraw/zinc/80/54/18/824805418.db2.gz NWDNIOAKKXQUEK-INIZCTEOSA-N 2 0 362.518 1.904 20 30 FDEDRP C[C@@H](CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)CN1CCOCC1 ZINC000330204364 825731845 /nfs/dbraw/zinc/73/18/45/825731845.db2.gz BNRZGFUUPURXED-IRXDYDNUSA-N 2 0 368.522 1.054 20 30 FDEDRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CC#Cc4ccc(F)cc4)CC[C@@H]3C2)C1 ZINC001088199449 827429941 /nfs/dbraw/zinc/42/99/41/827429941.db2.gz OIHUKYQYKPHCEF-AABGKKOBSA-N 2 0 369.484 1.909 20 30 FDEDRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccc(C#N)s4)CC[C@@H]3C2)C1 ZINC001088200355 827434175 /nfs/dbraw/zinc/43/41/75/827434175.db2.gz ZQSQAWNNTFHZIX-PMPSAXMXSA-N 2 0 358.511 1.852 20 30 FDEDRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccc(C#N)s4)CC[C@@H]3C2)C1 ZINC001088200354 827434470 /nfs/dbraw/zinc/43/44/70/827434470.db2.gz ZQSQAWNNTFHZIX-OAGGEKHMSA-N 2 0 358.511 1.852 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)CC1 ZINC001088212117 827493707 /nfs/dbraw/zinc/49/37/07/827493707.db2.gz QIGOIZSYYYSJCY-UXHICEINSA-N 2 0 369.513 1.046 20 30 FDEDRP C#CC[NH+]1CC[C@H](OCC2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC001088234508 827598539 /nfs/dbraw/zinc/59/85/39/827598539.db2.gz UTKJUKWRSXTQKC-SLFFLAALSA-N 2 0 361.530 1.679 20 30 FDEDRP C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 ZINC000451601908 830405291 /nfs/dbraw/zinc/40/52/91/830405291.db2.gz CJGJJEJUQARNPE-UXHICEINSA-N 2 0 373.497 1.663 20 30 FDEDRP C[NH+]=C(NCC1(N2CCCCC2)CC[NH+](C)CC1)N(C)Cc1ccc[nH]1 ZINC000262815983 837907287 /nfs/dbraw/zinc/90/72/87/837907287.db2.gz WPJFOQSWCNERBW-UHFFFAOYSA-N 2 0 360.550 1.972 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105637329 842270817 /nfs/dbraw/zinc/27/08/17/842270817.db2.gz NFCXOZYDIDFKNA-VURPSTOHSA-N 2 0 361.530 1.460 20 30 FDEDRP N#C[C@H]1CCC[C@@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000461968741 843265673 /nfs/dbraw/zinc/26/56/73/843265673.db2.gz VVOOOSNABBHETG-AEFFLSMTSA-N 2 0 356.474 1.585 20 30 FDEDRP C=C(CNC(=O)[C@@H]1CC[NH+]1C(C)(C)C)CNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000898986330 845580231 /nfs/dbraw/zinc/58/02/31/845580231.db2.gz ABKRXNBFBNYSNX-HOTGVXAUSA-N 2 0 364.534 1.521 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ncccc3C)[C@@H]2C)CC1 ZINC001089060177 866390769 /nfs/dbraw/zinc/39/07/69/866390769.db2.gz XRVHOZVTVRHJNY-MJGOQNOKSA-N 2 0 354.498 1.814 20 30 FDEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001106349815 874867753 /nfs/dbraw/zinc/86/77/53/874867753.db2.gz REFGPIGNTFSOEY-QZTJIDSGSA-N 2 0 363.546 1.973 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001106516985 875807562 /nfs/dbraw/zinc/80/75/62/875807562.db2.gz RJGKCBXBIJKBEL-BRWVUGGUSA-N 2 0 364.534 1.236 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000917091639 882970455 /nfs/dbraw/zinc/97/04/55/882970455.db2.gz AABQSHIQPUIJPH-SJORKVTESA-N 2 0 352.548 1.906 20 30 FDEDRP C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)c1 ZINC001106626376 876263336 /nfs/dbraw/zinc/26/33/36/876263336.db2.gz FDIJKENZFZXMRN-SJLPKXTDSA-N 2 0 370.497 1.242 20 30 FDEDRP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC2(CCOCC2)C1 ZINC001089941582 912557318 /nfs/dbraw/zinc/55/73/18/912557318.db2.gz JEGTUZKDINOXNX-GBESFXJTSA-N 2 0 361.530 1.727 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)Cc2csc(C#N)c2)C[C@H]1C[NH+](C)C ZINC000918538413 884606059 /nfs/dbraw/zinc/60/60/59/884606059.db2.gz XJHBUKHOROCPGF-HUUCEWRRSA-N 2 0 370.544 1.121 20 30 FDEDRP C=CCN1C[C@@H](NC(=O)C[C@H](C)n2ccnc2CC)[C@@H](n2ccnn2)C1 ZINC001129004264 884994148 /nfs/dbraw/zinc/99/41/48/884994148.db2.gz NUTDAYUQGHOHBS-XHSDSOJGSA-N 2 0 357.462 1.216 20 30 FDEDRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC001082742236 909943717 /nfs/dbraw/zinc/94/37/17/909943717.db2.gz XOHUJYCLUUBURE-QMTMVMCOSA-N 2 0 358.461 1.976 20 30 FDEDRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001082923572 910936255 /nfs/dbraw/zinc/93/62/55/910936255.db2.gz QSPQJMCUJIMPFA-MBOZVWFJSA-N 2 0 370.497 1.463 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccn2)CC1 ZINC001085432727 924679974 /nfs/dbraw/zinc/67/99/74/924679974.db2.gz NGXFOCQXKSGSMD-WOJBJXKFSA-N 2 0 354.498 1.944 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2ccnn2C)CC1 ZINC001085432930 924681290 /nfs/dbraw/zinc/68/12/90/924681290.db2.gz XKASGZLGXLNVFG-WOJBJXKFSA-N 2 0 371.529 1.325 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001086371031 926882143 /nfs/dbraw/zinc/88/21/43/926882143.db2.gz MNZYCZXKGMQXKO-YCEFEEMOSA-N 2 0 370.497 1.891 20 30 FDEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#CCOC)C1 ZINC001112586170 931772344 /nfs/dbraw/zinc/77/23/44/931772344.db2.gz KUONVLDMAKDWOS-ZJOUEHCJSA-N 2 0 361.530 1.729 20 30 FDEDRP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001086588272 933608067 /nfs/dbraw/zinc/60/80/67/933608067.db2.gz NCHGMBWTKNJIES-PCCBWWKXSA-N 2 0 351.494 1.936 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@@H]1n1ccnn1 ZINC001130137196 938709998 /nfs/dbraw/zinc/70/99/98/938709998.db2.gz NGJLJMXRKYKVPA-SQNIBIBYSA-N 2 0 360.506 1.460 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130602713 939914476 /nfs/dbraw/zinc/91/44/76/939914476.db2.gz OVTGEFRSLKNHAA-YQQAZPJKSA-N 2 0 351.470 1.170 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130675564 939973418 /nfs/dbraw/zinc/97/34/18/939973418.db2.gz WAASHUNOZJYFNZ-QXAKKESOSA-N 2 0 359.518 1.448 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1c1cncn1C ZINC001130994095 940416115 /nfs/dbraw/zinc/41/61/15/940416115.db2.gz FYUHLPBOYVVPCX-BSDSXHPESA-N 2 0 359.518 1.611 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001131012431 940444210 /nfs/dbraw/zinc/44/42/10/940444210.db2.gz ISYHGCSDJKYIID-KZNAEPCWSA-N 2 0 357.502 1.202 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1c1cncn1C ZINC001131064160 940486494 /nfs/dbraw/zinc/48/64/94/940486494.db2.gz ADRLSWXTPQAIEN-ZHALLVOQSA-N 2 0 361.534 1.857 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1c1cncn1C ZINC001131108325 940502732 /nfs/dbraw/zinc/50/27/32/940502732.db2.gz POKSBCGCZPIUAJ-IAGOWNOFSA-N 2 0 366.469 1.102 20 30 FDEDRP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001131608596 940788683 /nfs/dbraw/zinc/78/86/83/940788683.db2.gz HNMBDFDMSZBWGW-AQNXPRMDSA-N 2 0 361.530 1.870 20 30 FDEDRP C[NH2+]CCCc1[nH]nc(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)c1C#N ZINC000810023505 940936224 /nfs/dbraw/zinc/93/62/24/940936224.db2.gz UMIJPPKEDZQJDY-KRWDZBQOSA-N 2 0 350.442 1.584 20 30 FDEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC#Cc3ccccc3)C[C@@]2(C)C1 ZINC001091543523 951981354 /nfs/dbraw/zinc/98/13/54/951981354.db2.gz LZLKQAMFYLYQCG-SJBKTWHCSA-N 2 0 351.494 1.913 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1c1cnn(C)c1 ZINC001087000812 953051784 /nfs/dbraw/zinc/05/17/84/953051784.db2.gz PJUXMLBRHUOQTM-YTQUADARSA-N 2 0 359.518 1.755 20 30 FDEDRP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001093466716 958211262 /nfs/dbraw/zinc/21/12/62/958211262.db2.gz PBZQQWBLISDWKG-VURPSTOHSA-N 2 0 363.546 1.870 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]C[C@H]3CCCOC3)[C@H](C)C2)CC1 ZINC001094240348 960159154 /nfs/dbraw/zinc/15/91/54/960159154.db2.gz UIAPRLXIUXCEOM-QWFCFKBJSA-N 2 0 361.530 1.442 20 30 FDEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474436 960643259 /nfs/dbraw/zinc/64/32/59/960643259.db2.gz ZORMONMCFTUZIA-HSGZRYJKSA-N 2 0 359.514 1.787 20 30 FDEDRP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189026891 966736744 /nfs/dbraw/zinc/73/67/44/966736744.db2.gz UMMWUGAAZZKRQW-FGTMMUONSA-N 2 0 364.534 1.284 20 30 FDEDRP CN(C(=O)C#CC1CC[NH2+]CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000852863897 967669550 /nfs/dbraw/zinc/66/95/50/967669550.db2.gz TVDCHVIMKUGVOA-UHFFFAOYSA-N 2 0 354.498 1.550 20 30 FDEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]([NH+](C)CCc2ccccc2)C1 ZINC000854094061 968587665 /nfs/dbraw/zinc/58/76/65/968587665.db2.gz CFOAMHNPZRDQLH-FQEVSTJZSA-N 2 0 356.514 1.900 20 30 FDEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001194603437 970271173 /nfs/dbraw/zinc/27/11/73/970271173.db2.gz DAHYOZWZBOHJDR-BMGDILEWSA-N 2 0 355.442 1.397 20 30 FDEDRP C[C@@H]1CC[N@H+](CCNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000849086893 977307838 /nfs/dbraw/zinc/30/78/38/977307838.db2.gz DUNMRZYQLRVYIU-CABCVRRESA-N 2 0 351.495 1.209 20 30 FDEDRP CC(C)(C)[NH2+]CCCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000849086659 977307950 /nfs/dbraw/zinc/30/79/50/977307950.db2.gz ICULMSWCJZSXJT-CQSZACIVSA-N 2 0 353.511 1.645 20 30 FDEDRP CN(C)C(NCc1ccccc1)=[NH+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000849103527 977316641 /nfs/dbraw/zinc/31/66/41/977316641.db2.gz TZKNJFUQQDERNA-UHFFFAOYSA-N 2 0 359.518 1.686 20 30 FDEDRP C[NH+](C)CCOc1ccccc1CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884201691 982976813 /nfs/dbraw/zinc/97/68/13/982976813.db2.gz FEBMMUZCKKTYOJ-OHTSDLOESA-N 2 0 356.470 1.383 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)C[C@H]1C[NH+](C)C ZINC000870018807 985521355 /nfs/dbraw/zinc/52/13/55/985521355.db2.gz XHZPIMJECZCQNH-IAGOWNOFSA-N 2 0 372.488 1.927 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)CC1 ZINC000370913306 990117405 /nfs/dbraw/zinc/11/74/05/990117405.db2.gz WDSXIKCXXIAEQT-MJGOQNOKSA-N 2 0 357.502 1.264 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000875247005 991188149 /nfs/dbraw/zinc/18/81/49/991188149.db2.gz JXXTWDRZCWFQIN-QZTJIDSGSA-N 3 0 365.566 1.408 20 30 FDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000876730931 992845119 /nfs/dbraw/zinc/84/51/19/992845119.db2.gz MHHPLLYOUNNQDF-AWEZNQCLSA-N 2 0 355.866 1.722 20 30 FDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000876779477 992904163 /nfs/dbraw/zinc/90/41/63/992904163.db2.gz GLWBGDZCFLFOIB-KRWDZBQOSA-N 2 0 350.894 1.390 20 30 FDEDRP C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374773894 992937782 /nfs/dbraw/zinc/93/77/82/992937782.db2.gz BHNDRMBTNAATBQ-UHFFFAOYSA-N 2 0 368.485 1.886 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000876859809 992939418 /nfs/dbraw/zinc/93/94/18/992939418.db2.gz LYBISWSWVNSICR-HBFSDRIKSA-N 2 0 352.482 1.983 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000876921100 992968020 /nfs/dbraw/zinc/96/80/20/992968020.db2.gz KEGZCTJOMQORAB-HOJAQTOUSA-N 2 0 368.481 1.490 20 30 FDEDRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCO1 ZINC000876982330 992995532 /nfs/dbraw/zinc/99/55/32/992995532.db2.gz YJIHZAYMKBDJNS-IEBWSBKVSA-N 2 0 356.470 1.314 20 30 FDEDRP C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCO1 ZINC000876982332 992995857 /nfs/dbraw/zinc/99/58/57/992995857.db2.gz YJIHZAYMKBDJNS-PKOBYXMFSA-N 2 0 356.470 1.314 20 30 FDEDRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000887130955 996958138 /nfs/dbraw/zinc/95/81/38/996958138.db2.gz OIBFRRWLJFHLFT-LPHOPBHVSA-N 2 0 352.438 1.904 20 30 FDEDRP N#CC1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCOCC1 ZINC000264538924 997537112 /nfs/dbraw/zinc/53/71/12/997537112.db2.gz POFJFQXKJWWNCR-UHFFFAOYSA-N 2 0 357.458 1.030 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000928648733 1001607377 /nfs/dbraw/zinc/60/73/77/1001607377.db2.gz QVFIAYXCGZKBDI-WOJBJXKFSA-N 2 0 371.529 1.448 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000928655272 1001611317 /nfs/dbraw/zinc/61/13/17/1001611317.db2.gz OSAOSRAGOAOKMG-UHFFFAOYSA-N 2 0 354.498 1.261 20 30 FDEDRP C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000092615646 1007257438 /nfs/dbraw/zinc/25/74/38/1007257438.db2.gz JHIFDIKJRKHUDY-INIZCTEOSA-N 2 0 358.486 1.867 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOc1cc(OC)cc(OC)c1 ZINC000304832496 1010498381 /nfs/dbraw/zinc/49/83/81/1010498381.db2.gz LFHQXKADVAZBKV-HNNXBMFYSA-N 2 0 364.490 1.861 20 30 FDEDRP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCCCN1CCOCC1 ZINC000264648741 179157795 /nfs/dbraw/zinc/15/77/95/179157795.db2.gz GBLXSCCQHAYRED-UHFFFAOYSA-N 2 0 372.513 1.951 20 30 FDEDRP N#Cc1ccccc1NC(=O)CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000103482213 172368068 /nfs/dbraw/zinc/36/80/68/172368068.db2.gz DCMKPWXWRNFBFV-UHFFFAOYSA-N 2 0 356.470 1.931 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000553326845 543609771 /nfs/dbraw/zinc/60/97/71/543609771.db2.gz GLFWVYBGUYKFLD-RDJZCZTQSA-N 2 0 350.507 1.084 20 30 FDEDRP C[C@@H]1CN(CC(=O)Nc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000368197158 260148153 /nfs/dbraw/zinc/14/81/53/260148153.db2.gz BHKJQUPOEXMRCO-MRXNPFEDSA-N 2 0 355.486 1.597 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000074129967 522689163 /nfs/dbraw/zinc/68/91/63/522689163.db2.gz NNZJIOXPOUWDDS-KRWDZBQOSA-N 2 0 351.539 1.210 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CCN(CC#N)CC1 ZINC000074134994 522689576 /nfs/dbraw/zinc/68/95/76/522689576.db2.gz DAZUQPVJNYSZES-GOSISDBHSA-N 2 0 364.538 1.032 20 30 FDEDRP C[C@H]1C[C@H](CNC(=[NH2+])NCCCN2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000136876127 524218885 /nfs/dbraw/zinc/21/88/85/524218885.db2.gz WZEHYKVHFUJECC-AZUAARDMSA-N 2 0 373.545 1.524 20 30 FDEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121779745 524359767 /nfs/dbraw/zinc/35/97/67/524359767.db2.gz NIIQIGFIVZLNIM-INIZCTEOSA-N 2 0 350.507 1.975 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(CN2CCCC2=O)cc1 ZINC000104165630 525397530 /nfs/dbraw/zinc/39/75/30/525397530.db2.gz KTEGXERPUJDBPA-SFHVURJKSA-N 2 0 357.502 1.698 20 30 FDEDRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000118834422 525553169 /nfs/dbraw/zinc/55/31/69/525553169.db2.gz IVGDWWDCANGDSZ-LJQANCHMSA-N 2 0 355.486 1.599 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccn(-c2ccc(OC)cc2)n1 ZINC000264106106 537137965 /nfs/dbraw/zinc/13/79/65/537137965.db2.gz PKRCBNKNNAJFIZ-QGZVFWFLSA-N 2 0 356.474 1.770 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000283385241 537374421 /nfs/dbraw/zinc/37/44/21/537374421.db2.gz JGMYJLSLRACDKK-LJQANCHMSA-N 2 0 370.497 1.144 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000579389060 550868440 /nfs/dbraw/zinc/86/84/40/550868440.db2.gz XMKXCZFETACVFM-SJLPKXTDSA-N 2 0 364.534 1.332 20 30 FDEDRP COC(=O)C[C@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@@H]1CC(=O)OC ZINC000585753452 551593167 /nfs/dbraw/zinc/59/31/67/551593167.db2.gz FMXCXCYDLQPAJX-QZTJIDSGSA-N 2 0 364.486 1.825 20 30 FDEDRP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC000593714534 552180845 /nfs/dbraw/zinc/18/08/45/552180845.db2.gz YFLYXCXIUHUHAW-BEFAXECRSA-N 2 0 355.486 1.962 20 30 FDEDRP COC[C@]1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[NH2+]C1 ZINC000593918963 552225379 /nfs/dbraw/zinc/22/53/79/552225379.db2.gz MOPNVUYVOULDMD-FQEVSTJZSA-N 2 0 356.470 1.265 20 30 FDEDRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594439051 552310419 /nfs/dbraw/zinc/31/04/19/552310419.db2.gz NGCGYSKSNDXMRU-MRXNPFEDSA-N 2 0 365.522 1.141 20 30 FDEDRP N#Cc1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc1N[C@H]1CC[NH+](C2CC2)C1 ZINC000596091099 552654123 /nfs/dbraw/zinc/65/41/23/552654123.db2.gz HVZQMYXOMJGMSW-CVEARBPZSA-N 2 0 352.486 2.250 20 30 FDEDRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000599936230 553177224 /nfs/dbraw/zinc/17/72/24/553177224.db2.gz MLRJPIMPSWLFEH-RBUKOAKNSA-N 2 0 355.486 1.916 20 30 FDEDRP CC[C@H](C)[N@H+](C)CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089120779 671491562 /nfs/dbraw/zinc/49/15/62/671491562.db2.gz BQPFWISESIHUBM-GJZGRUSLSA-N 2 0 353.511 1.597 20 30 FDEDRP C[NH+]=C(NCCOc1ccc(F)c(F)c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000127816243 671772265 /nfs/dbraw/zinc/77/22/65/671772265.db2.gz TYPDYPKAOQPFKV-AWEZNQCLSA-N 2 0 350.413 1.865 20 30 FDEDRP CC[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N1CCN(c2cccs2)CC1 ZINC000261804123 672674616 /nfs/dbraw/zinc/67/46/16/672674616.db2.gz RVQWDRSGLIKBIR-INIZCTEOSA-N 2 0 364.563 1.081 20 30 FDEDRP C[NH+]=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)NC[C@H]1C[N@H+](C)CCN1C ZINC000261820711 672677911 /nfs/dbraw/zinc/67/79/11/672677911.db2.gz UJRFRWUXRRYKOO-ILXRZTDVSA-N 2 0 363.472 1.766 20 30 FDEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000261822244 672678515 /nfs/dbraw/zinc/67/85/15/672678515.db2.gz UPGRKONRQUASJP-UONOGXRCSA-N 2 0 351.445 1.660 20 30 FDEDRP C[NH+]=C(NCc1cn(C)nc1C(F)(F)F)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261974049 672705250 /nfs/dbraw/zinc/70/52/50/672705250.db2.gz NILVDCLAMAAFEK-GXFFZTMASA-N 2 0 358.412 1.587 20 30 FDEDRP CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)NC1CC[NH+](C(C)C)CC1 ZINC000262411616 672785229 /nfs/dbraw/zinc/78/52/29/672785229.db2.gz PISNSFWULZSICN-OAHLLOKOSA-N 2 0 358.552 1.238 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C)C(C)C ZINC000264774589 672924987 /nfs/dbraw/zinc/92/49/87/672924987.db2.gz TVEXTNVJEVAYGX-MSOLQXFVSA-N 2 0 351.539 1.230 20 30 FDEDRP CC[NH+]1CCN(c2ccc(CNC(=[NH2+])N[C@H](C)COC)cc2F)CC1 ZINC000267438334 673303982 /nfs/dbraw/zinc/30/39/82/673303982.db2.gz OHYDJRXHKMDNGS-CQSZACIVSA-N 2 0 351.470 1.407 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000304750311 676544465 /nfs/dbraw/zinc/54/44/65/676544465.db2.gz IGGBUDXKVVKEFI-LSDHHAIUSA-N 2 0 355.527 1.924 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000305718947 676545266 /nfs/dbraw/zinc/54/52/66/676545266.db2.gz HVSPVMCGJYADQJ-HUUCEWRRSA-N 2 0 353.511 1.678 20 30 FDEDRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[NH+](C2CCC2)CC1 ZINC000330216683 676679226 /nfs/dbraw/zinc/67/92/26/676679226.db2.gz HYLZLECRZYXHAQ-MSOLQXFVSA-N 2 0 350.507 1.448 20 30 FDEDRP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000373872718 678067977 /nfs/dbraw/zinc/06/79/77/678067977.db2.gz SBFIHXCMHPLJGD-RYRKJORJSA-N 2 0 350.507 1.435 20 30 FDEDRP N#Cc1ccsc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000498517090 687801950 /nfs/dbraw/zinc/80/19/50/687801950.db2.gz ZGTWGDGZEZRUBI-UHFFFAOYSA-N 2 0 355.467 1.957 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000516202159 689929962 /nfs/dbraw/zinc/92/99/62/689929962.db2.gz PNQTWSZHCMSYLW-UHFFFAOYSA-N 2 0 350.507 1.086 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000532264495 694870156 /nfs/dbraw/zinc/87/01/56/694870156.db2.gz YZGUULQFGCLNED-ZWKOTPCHSA-N 2 0 350.507 1.314 20 30 FDEDRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001164921621 721848210 /nfs/dbraw/zinc/84/82/10/721848210.db2.gz OPQYKBXDOFSGQS-OALUTQOASA-N 2 0 354.502 1.204 20 30 FDEDRP CC#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001087424243 805610411 /nfs/dbraw/zinc/61/04/11/805610411.db2.gz PLGCKYMHZSOWKD-VAMGGRTRSA-N 2 0 355.482 1.315 20 30 FDEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001104408894 782539798 /nfs/dbraw/zinc/53/97/98/782539798.db2.gz DPCZWSLPSLSJBM-IAGOWNOFSA-N 2 0 351.454 1.978 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000891255411 774168086 /nfs/dbraw/zinc/16/80/86/774168086.db2.gz OMJMWFDBDGMLCV-HXUWFJFHSA-N 2 0 356.514 1.817 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC2(CC[N@@H+]([C@@H](C)C(=O)NCC=C)C2)CC1 ZINC000364080268 795136047 /nfs/dbraw/zinc/13/60/47/795136047.db2.gz FKLRZAFQHGBFKS-SJORKVTESA-N 2 0 362.518 1.156 20 30 FDEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC001211722663 809308405 /nfs/dbraw/zinc/30/84/05/809308405.db2.gz JYVNCIZUVGNUMO-VQTJNVASSA-N 2 0 355.482 1.316 20 30 FDEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000424139965 815316677 /nfs/dbraw/zinc/31/66/77/815316677.db2.gz ATKYGPYXGLKSAB-RDJZCZTQSA-N 2 0 357.458 1.344 20 30 FDEDRP C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261994331 811362738 /nfs/dbraw/zinc/36/27/38/811362738.db2.gz SAVUZLJHBHRCIL-KXBFYZLASA-N 2 0 369.513 1.219 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000419738689 812163426 /nfs/dbraw/zinc/16/34/26/812163426.db2.gz ZGCTWBKCMXFXKV-UHFFFAOYSA-N 2 0 358.486 1.131 20 30 FDEDRP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261947543 817289158 /nfs/dbraw/zinc/28/91/58/817289158.db2.gz GIYRCYIUERCJIE-SJLPKXTDSA-N 3 0 363.550 1.279 20 30 FDEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992449 824954182 /nfs/dbraw/zinc/95/41/82/824954182.db2.gz WKJOBDBSZBRTKO-HBFSDRIKSA-N 2 0 361.530 1.986 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000303889889 827939696 /nfs/dbraw/zinc/93/96/96/827939696.db2.gz MGOPOKLGSHEINI-XYJFISCASA-N 2 0 374.533 1.584 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(=O)OC)c(C2CC2)n1 ZINC000305822817 828097124 /nfs/dbraw/zinc/09/71/24/828097124.db2.gz BQZUZJYGHGORSN-HNNXBMFYSA-N 2 0 359.474 1.634 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1 ZINC000305850233 830790634 /nfs/dbraw/zinc/79/06/34/830790634.db2.gz JKFSBKQSTFAPTN-SCTDSRPQSA-N 2 0 357.502 1.595 20 30 FDEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212262 832073923 /nfs/dbraw/zinc/07/39/23/832073923.db2.gz WVGUUBXJSKOMRZ-ZIAGYGMSSA-N 2 0 351.413 1.508 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)[N@@H+](C)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105642335 842306047 /nfs/dbraw/zinc/30/60/47/842306047.db2.gz IVFUSFYFDMNFIN-NEYJZJCJSA-N 2 0 363.546 1.706 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105660804 842578454 /nfs/dbraw/zinc/57/84/54/842578454.db2.gz YOUDWAYURBTBEK-XCJLJZCSSA-N 2 0 361.530 1.318 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[NH+](CC)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105661064 842653772 /nfs/dbraw/zinc/65/37/72/842653772.db2.gz DHIOOZXMHXLFEH-LFGUQSLTSA-N 2 0 351.535 1.870 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C(C)C)C[C@H]1O ZINC001105668653 843828313 /nfs/dbraw/zinc/82/83/13/843828313.db2.gz YCRUSPLVXHNJQI-IKVWTGGYSA-N 2 0 359.514 1.072 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000480979217 845996076 /nfs/dbraw/zinc/99/60/76/845996076.db2.gz LOKIPFHJJLFDFR-BRWVUGGUSA-N 2 0 364.534 1.236 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](C[C@@H]4CCCOC4)C[C@H]32)CC1 ZINC001076604591 848553191 /nfs/dbraw/zinc/55/31/91/848553191.db2.gz NCLBVZXLHJDRIK-YSIASYRMSA-N 2 0 359.514 1.291 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)CC1 ZINC000911237789 858349067 /nfs/dbraw/zinc/34/90/67/858349067.db2.gz YTYSYRVWGLWTGU-QGZVFWFLSA-N 2 0 362.518 1.263 20 30 FDEDRP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000669032915 860836068 /nfs/dbraw/zinc/83/60/68/860836068.db2.gz BDCXNBRHKGIGMS-KSZLIROESA-N 2 0 372.517 1.673 20 30 FDEDRP C[C@@H]1CN(C)C[C@H](C(=O)N(C)[C@@H]2CCN(CC#Cc3ccccc3)C2)O1 ZINC001033183744 881686925 /nfs/dbraw/zinc/68/69/25/881686925.db2.gz FEOMBQMGNJYVES-MISYRCLQSA-N 2 0 355.482 1.290 20 30 FDEDRP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000900044669 886843823 /nfs/dbraw/zinc/84/38/23/886843823.db2.gz FPGWAUPLGHEACB-ICSRJNTNSA-N 2 0 356.470 1.048 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000187055648 887722298 /nfs/dbraw/zinc/72/22/98/887722298.db2.gz MBPSXWRRHBARRJ-FQEVSTJZSA-N 2 0 373.545 1.394 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000923393581 889106184 /nfs/dbraw/zinc/10/61/84/889106184.db2.gz TWMYSTZBMCSHGC-MLYOOKFZSA-N 2 0 359.470 1.659 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000923393580 889106821 /nfs/dbraw/zinc/10/68/21/889106821.db2.gz TWMYSTZBMCSHGC-JRBPQWBISA-N 2 0 359.470 1.659 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@@H]2O)CC1 ZINC001084087909 913358580 /nfs/dbraw/zinc/35/85/80/913358580.db2.gz GZWZGUVVSFSYAX-AHRSYUTCSA-N 2 0 355.482 1.254 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C(C)C ZINC000654379658 901977865 /nfs/dbraw/zinc/97/78/65/901977865.db2.gz HLPMJYWUNHAEBN-RCCFBDPRSA-N 2 0 350.507 1.145 20 30 FDEDRP C#CCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259504 902294274 /nfs/dbraw/zinc/29/42/74/902294274.db2.gz DAVNMHXYCDZIQA-CEXWTWQISA-N 2 0 359.514 1.291 20 30 FDEDRP C#CCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079260680 902298971 /nfs/dbraw/zinc/29/89/71/902298971.db2.gz KFGIGUZOCSCJOP-CEXWTWQISA-N 2 0 359.514 1.433 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC3(CC[NH+](CC=C)CC3)[C@H]3COC[C@H]32)CC1 ZINC001079274349 902356152 /nfs/dbraw/zinc/35/61/52/902356152.db2.gz PEJCZBWMITZJKM-VQTJNVASSA-N 2 0 371.525 1.457 20 30 FDEDRP C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436691 904904285 /nfs/dbraw/zinc/90/42/85/904904285.db2.gz KZUFKKJUSYGDSJ-VQIMIIECSA-N 2 0 362.518 1.134 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2C)CC1 ZINC001080997838 906972670 /nfs/dbraw/zinc/97/26/70/906972670.db2.gz LXZUDRXZNRVBME-DYESRHJHSA-N 2 0 364.493 1.840 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3c(C)noc3C)C[C@H]2C)CC1 ZINC001080998312 906975893 /nfs/dbraw/zinc/97/58/93/906975893.db2.gz YKMAUVJQQNEQPE-AUUYWEPGSA-N 2 0 358.486 1.573 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC001082520798 908224066 /nfs/dbraw/zinc/22/40/66/908224066.db2.gz UEMJETOIYQSHJL-TWKYDXJASA-N 2 0 358.461 1.974 20 30 FDEDRP C=C(Br)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001082617207 909075622 /nfs/dbraw/zinc/07/56/22/909075622.db2.gz BGFJTIQGKARVDG-TZMCWYRMSA-N 2 0 356.308 1.960 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC4CC(F)(F)C4)C[C@H]32)CC1 ZINC001084850888 917656394 /nfs/dbraw/zinc/65/63/94/917656394.db2.gz BDAKCROIGSEWOD-QZTJIDSGSA-N 2 0 365.468 1.910 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccnn4C)[C@H]3C2)CC1 ZINC001085100613 920913730 /nfs/dbraw/zinc/91/37/30/920913730.db2.gz QIKXCYCTZUXTPR-XLIONFOSSA-N 2 0 369.513 1.188 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4cccnc4)[C@H]3C2)CC1 ZINC001085100595 920914713 /nfs/dbraw/zinc/91/47/13/920914713.db2.gz PBZLIJOHXPUMLN-CTNGQTDRSA-N 2 0 366.509 1.850 20 30 FDEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894393 938555715 /nfs/dbraw/zinc/55/57/15/938555715.db2.gz FCQWHVBTELYQSA-ZACQAIPSSA-N 2 0 360.506 1.459 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]cn2)C[C@@H]1n1ccnn1 ZINC001130033714 938634300 /nfs/dbraw/zinc/63/43/00/938634300.db2.gz BNXWYQZOTLCFRE-OIISXLGYSA-N 2 0 357.462 1.188 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130083608 938664972 /nfs/dbraw/zinc/66/49/72/938664972.db2.gz CQVIAJVCNMAYDG-QYZOEREBSA-N 2 0 368.485 1.499 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1c1cn(C)cn1 ZINC001130597058 939904028 /nfs/dbraw/zinc/90/40/28/939904028.db2.gz ZASVTDUZFGBUQN-RNIPGJKVSA-N 2 0 357.502 1.058 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130607686 939919284 /nfs/dbraw/zinc/91/92/84/939919284.db2.gz JDLGCFRDLMKPIR-CMKODMSKSA-N 2 0 371.529 1.590 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130635165 939937527 /nfs/dbraw/zinc/93/75/27/939937527.db2.gz LQQVKLNPRFLELB-SXLOBPIMSA-N 2 0 369.513 1.202 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130687837 939977935 /nfs/dbraw/zinc/97/79/35/939977935.db2.gz SPODYIFXASEDDI-PKOBYXMFSA-N 2 0 359.518 1.612 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1c1cncn1C ZINC001130994222 940416612 /nfs/dbraw/zinc/41/66/12/940416612.db2.gz NWGYMZUVXABWOK-GUDVDZBRSA-N 2 0 371.529 1.612 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1c1cncn1C ZINC001131023292 940456721 /nfs/dbraw/zinc/45/67/21/940456721.db2.gz WNZVIOOSROAMCB-QRVBRYPASA-N 2 0 371.529 1.448 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001131108061 940502405 /nfs/dbraw/zinc/50/24/05/940502405.db2.gz IBBFUWNNCVUWJL-KZNAEPCWSA-N 2 0 359.518 1.612 20 30 FDEDRP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001131599506 940782770 /nfs/dbraw/zinc/78/27/70/940782770.db2.gz CCRXYNXTCPSYNH-DYXWJJEUSA-N 2 0 359.514 1.481 20 30 FDEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001091033856 948556975 /nfs/dbraw/zinc/55/69/75/948556975.db2.gz JOSQXVSLVHLQDT-SYNTWQANSA-N 2 0 369.937 1.970 20 30 FDEDRP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196306743 971594933 /nfs/dbraw/zinc/59/49/33/971594933.db2.gz HYJQZWKYOSMACA-GUDVDZBRSA-N 2 0 367.534 1.395 20 30 FDEDRP C=CC[NH+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)c2)C1 ZINC001091401250 951576360 /nfs/dbraw/zinc/57/63/60/951576360.db2.gz WXAWCWAJWPJJHH-AYOQOUSVSA-N 2 0 358.486 1.677 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001086982228 952994982 /nfs/dbraw/zinc/99/49/82/952994982.db2.gz AAMRLQIJQXHRBS-XUVXKRRUSA-N 2 0 369.513 1.344 20 30 FDEDRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ccc(C#N)c(F)c4)C[C@@]3(C)C2)C1 ZINC001092272288 954653700 /nfs/dbraw/zinc/65/37/00/954653700.db2.gz CQGCVIWUDRNNFL-UEXGIBASSA-N 2 0 370.472 1.929 20 30 FDEDRP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001093466713 958211060 /nfs/dbraw/zinc/21/10/60/958211060.db2.gz PBZQQWBLISDWKG-RMVXJAJNSA-N 2 0 363.546 1.870 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C(C)C)C[C@H]1O ZINC001093452969 958260254 /nfs/dbraw/zinc/26/02/54/958260254.db2.gz RLJVSNPUCXNDDR-XCJLJZCSSA-N 2 0 366.465 1.547 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3ccc4c[nH+]cn4c3)[C@H]2C(C)C)C[C@H]1O ZINC001093457509 958281224 /nfs/dbraw/zinc/28/12/24/958281224.db2.gz KUBBSEXFTUGNAC-BNDYYXHWSA-N 2 0 366.465 1.547 20 30 FDEDRP C#CCN1C[C@H]2CC[C@@H](C1)[NH+]2C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001093487616 958309519 /nfs/dbraw/zinc/30/95/19/958309519.db2.gz KIFITSWHMIDKPP-RSPOEFSDSA-N 2 0 358.530 1.099 20 30 FDEDRP CC[NH+](CC)CCNC(=[NH2+])N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172978233 961861095 /nfs/dbraw/zinc/86/10/95/961861095.db2.gz JPGPMEXYWLNEMX-CABCVRRESA-N 2 0 366.510 1.734 20 30 FDEDRP C=C(C[NH+]1CCCC1)C(=O)N[C@]1(C(=O)OC)CC[N@H+](Cc2ccccc2)C1 ZINC001183085910 962783306 /nfs/dbraw/zinc/78/33/06/962783306.db2.gz MTFOEKMWDQFLHM-OAQYLSRUSA-N 2 0 371.481 1.572 20 30 FDEDRP C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3Cc3ccccc3C#N)C[C@H]2C1 ZINC001183831175 963301552 /nfs/dbraw/zinc/30/15/52/963301552.db2.gz LVSONWSCQFWGPF-HSALFYBXSA-N 2 0 352.482 1.933 20 30 FDEDRP C=CCC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001185943340 964206977 /nfs/dbraw/zinc/20/69/77/964206977.db2.gz RUUNKIKTLUTGAL-BPQIPLTHSA-N 2 0 360.506 1.448 20 30 FDEDRP C#CCOCC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001191307339 968419509 /nfs/dbraw/zinc/41/95/09/968419509.db2.gz VPICLTXPDCQOKK-UHFFFAOYSA-N 2 0 357.498 1.596 20 30 FDEDRP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000883893317 982595972 /nfs/dbraw/zinc/59/59/72/982595972.db2.gz ITLXDZCMFUZEFP-LJQANCHMSA-N 2 0 355.486 1.870 20 30 FDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC1([NH+]3CCSCC3)CCCC1)C2 ZINC000884193440 982969654 /nfs/dbraw/zinc/96/96/54/982969654.db2.gz GIPIRBOCKQQSIQ-UPTPFMHGSA-N 2 0 362.543 1.604 20 30 FDEDRP Cc1ccc([C@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[NH+]2CCCC2)o1 ZINC000884210066 982986617 /nfs/dbraw/zinc/98/66/17/982986617.db2.gz PTWARKXZSMUDLS-ASPXRTSYSA-N 2 0 356.470 1.981 20 30 FDEDRP CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000884306598 983071319 /nfs/dbraw/zinc/07/13/19/983071319.db2.gz ISNWAJQVNMHKDY-LSNYBQGISA-N 2 0 352.482 1.859 20 30 FDEDRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884308634 983072600 /nfs/dbraw/zinc/07/26/00/983072600.db2.gz YFXBGMHTTFWUFG-OHTSDLOESA-N 2 0 358.461 1.855 20 30 FDEDRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)C2)cc1 ZINC000884465909 983171109 /nfs/dbraw/zinc/17/11/09/983171109.db2.gz MSCDJKMVNZQOQQ-JMDAGXMHSA-N 2 0 352.482 1.825 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(F)c(C#N)c(F)c2)C[C@H]1C[NH+](C)C ZINC000870017057 985517367 /nfs/dbraw/zinc/51/73/67/985517367.db2.gz GTQWZEADCDYZAI-ZIAGYGMSSA-N 2 0 350.413 1.648 20 30 FDEDRP C#CCN(C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)C1CC[NH+](C)CC1 ZINC000886583199 986387811 /nfs/dbraw/zinc/38/78/11/986387811.db2.gz GHFAILQVUUQQSJ-IBGZPJMESA-N 2 0 354.498 1.850 20 30 FDEDRP C#CCN(C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)C1CC[NH+](C)CC1 ZINC000886583200 986388230 /nfs/dbraw/zinc/38/82/30/986388230.db2.gz GHFAILQVUUQQSJ-LJQANCHMSA-N 2 0 354.498 1.850 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000360890814 988194709 /nfs/dbraw/zinc/19/47/09/988194709.db2.gz UBOXUCWZFGOVNS-OALUTQOASA-N 2 0 364.534 1.658 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000876284550 992523056 /nfs/dbraw/zinc/52/30/56/992523056.db2.gz TZIAIIWATBILFT-HXUWFJFHSA-N 2 0 371.529 1.940 20 30 FDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000876755880 992879225 /nfs/dbraw/zinc/87/92/25/992879225.db2.gz MZQQTURKLYTKIZ-SFHVURJKSA-N 2 0 364.921 1.733 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000876918487 992966686 /nfs/dbraw/zinc/96/66/86/992966686.db2.gz ITBRBEBZIGGRIZ-HSALFYBXSA-N 2 0 368.481 1.490 20 30 FDEDRP COc1ccc(C#N)cc1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000925996763 995884161 /nfs/dbraw/zinc/88/41/61/995884161.db2.gz DSRFMVOJMSYYDF-CALCHBBNSA-N 2 0 369.469 1.999 20 30 FDEDRP C#CCN1CCC[C@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000890369517 998917263 /nfs/dbraw/zinc/91/72/63/998917263.db2.gz XNTZPKGKCZTWHZ-KRWDZBQOSA-N 2 0 350.507 1.226 20 30 FDEDRP CSc1ccc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C#N ZINC000890452284 998948949 /nfs/dbraw/zinc/94/89/49/998948949.db2.gz PCDYUIGVZBDPLK-UHFFFAOYSA-N 2 0 363.531 1.915 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)C(C)C ZINC000285043587 999897331 /nfs/dbraw/zinc/89/73/31/999897331.db2.gz WGTVMWQRRSDNKE-GOSISDBHSA-N 2 0 359.518 1.777 20 30 FDEDRP C=CCCCN(C)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000286170852 999942670 /nfs/dbraw/zinc/94/26/70/999942670.db2.gz WLTUNQBXNYENKM-UHFFFAOYSA-N 2 0 373.501 1.135 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc2c(cc1OC(F)F)OCO2 ZINC000305045622 1008607841 /nfs/dbraw/zinc/60/78/41/1008607841.db2.gz XTLYJYIKAHQGTQ-LBPRGKRZSA-N 2 0 370.400 1.905 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Cn2ccccc2=O)cc1 ZINC000303865996 1009643311 /nfs/dbraw/zinc/64/33/11/1009643311.db2.gz CBEDNAIFWAPNIU-IBGZPJMESA-N 2 0 367.497 1.785 20 30 FDEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000303968967 1009780394 /nfs/dbraw/zinc/78/03/94/1009780394.db2.gz BFEZSZPRECQQTJ-OAHLLOKOSA-N 2 0 363.506 1.847 20 30 FDEDRP Cn1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1C#N ZINC000190985897 178034754 /nfs/dbraw/zinc/03/47/54/178034754.db2.gz HFBWQCGPXKRLEY-LJQANCHMSA-N 2 0 365.481 1.884 20 30 FDEDRP C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)N1CC[NH+](C)CC1 ZINC000180172323 258363329 /nfs/dbraw/zinc/36/33/29/258363329.db2.gz XHCKLTLLHSHWRI-MRXNPFEDSA-N 2 0 352.486 1.684 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000553710937 543685698 /nfs/dbraw/zinc/68/56/98/543685698.db2.gz FSBRHPKEJBKDKE-GOSISDBHSA-N 2 0 362.518 1.276 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000555754692 544021565 /nfs/dbraw/zinc/02/15/65/544021565.db2.gz JRBGLVHPPMEDIY-UHFFFAOYSA-N 2 0 350.507 1.135 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000557730805 544337515 /nfs/dbraw/zinc/33/75/15/544337515.db2.gz DVWJOVVHODJPOV-OALUTQOASA-N 2 0 370.497 1.315 20 30 FDEDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000331054560 259174734 /nfs/dbraw/zinc/17/47/34/259174734.db2.gz OBGRDFNFGKQESX-UHFFFAOYSA-N 2 0 368.478 1.344 20 30 FDEDRP C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378290700 262002540 /nfs/dbraw/zinc/00/25/40/262002540.db2.gz HEFZCTGPTBQKKK-FQEVSTJZSA-N 2 0 369.513 1.987 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000103125576 525326879 /nfs/dbraw/zinc/32/68/79/525326879.db2.gz CTHYILMDWBUQLJ-UHFFFAOYSA-N 2 0 357.498 1.979 20 30 FDEDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)cc1F ZINC000155316109 525820761 /nfs/dbraw/zinc/82/07/61/525820761.db2.gz LYBQEFREFUKPDX-UHFFFAOYSA-N 2 0 368.478 1.344 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000188168245 536284757 /nfs/dbraw/zinc/28/47/57/536284757.db2.gz ARHLYZIJHSSPBE-JOCHJYFZSA-N 2 0 369.509 1.427 20 30 FDEDRP CC[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262812093 536908035 /nfs/dbraw/zinc/90/80/35/536908035.db2.gz URKVBUKXNMUHDY-SJORKVTESA-N 2 0 357.506 1.061 20 30 FDEDRP C[NH+]1CCC(O)(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000330003230 537648835 /nfs/dbraw/zinc/64/88/35/537648835.db2.gz BPLQVTOTCDEPTQ-UHFFFAOYSA-N 2 0 352.523 1.744 20 30 FDEDRP OCC[NH+](CC#CC[N@@H+](CCO)[C@@H]1CCCSC1)[C@@H]1CCCSC1 ZINC000433188833 538208975 /nfs/dbraw/zinc/20/89/75/538208975.db2.gz DEXHMLWIIYZKRI-QZTJIDSGSA-N 2 0 372.600 1.370 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)CC1 ZINC000473006875 538735449 /nfs/dbraw/zinc/73/54/49/538735449.db2.gz YQDIEZYAZCLAAP-GOSISDBHSA-N 2 0 352.523 1.779 20 30 FDEDRP N#CCCC[C@@H]([NH3+])C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000567786858 548258863 /nfs/dbraw/zinc/25/88/63/548258863.db2.gz NIUUAGDOAWIBCV-LJQANCHMSA-N 2 0 357.502 1.726 20 30 FDEDRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000568506779 548564793 /nfs/dbraw/zinc/56/47/93/548564793.db2.gz AMLSIVBNMUXZAY-QGZVFWFLSA-N 2 0 373.501 1.297 20 30 FDEDRP C[NH+](C)CCN1CCC([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000576391315 550544036 /nfs/dbraw/zinc/54/40/36/550544036.db2.gz SAEVVEZZNMBOQM-LJQANCHMSA-N 2 0 360.502 1.108 20 30 FDEDRP N#CC[C@]1(O)CC[N@H+](Cc2ccccc2C[NH+]2CC[C@](O)(CC#N)C2)C1 ZINC000592150229 551950009 /nfs/dbraw/zinc/95/00/09/551950009.db2.gz BHECAFRRIPLGBL-BGYRXZFFSA-N 2 0 354.454 1.388 20 30 FDEDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccsc1C#N ZINC000593584193 552143671 /nfs/dbraw/zinc/14/36/71/552143671.db2.gz MLDDDLIAIPFZTH-UHFFFAOYSA-N 2 0 356.517 1.266 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H]3CC34CC[NH2+]CC4)CC2)c1 ZINC000597444008 552790110 /nfs/dbraw/zinc/79/01/10/552790110.db2.gz VHVYTEAZVKHTRF-LJQANCHMSA-N 2 0 367.497 1.964 20 30 FDEDRP N#CC1(C[C@H](O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CCOCC1 ZINC000599305200 553021318 /nfs/dbraw/zinc/02/13/18/553021318.db2.gz VTMLQYAMDCQKCC-SFHVURJKSA-N 2 0 365.518 1.635 20 30 FDEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599306747 553021843 /nfs/dbraw/zinc/02/18/43/553021843.db2.gz CZXDWEBVNQETEW-MSOLQXFVSA-N 2 0 353.507 1.490 20 30 FDEDRP C#CCOc1ccc(F)cc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000120191004 671685706 /nfs/dbraw/zinc/68/57/06/671685706.db2.gz HPUUSGBXAILFEZ-UHFFFAOYSA-N 2 0 350.438 1.795 20 30 FDEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NCC1(c2cccc(Cl)c2)CC1 ZINC000261907502 672692031 /nfs/dbraw/zinc/69/20/31/672692031.db2.gz HDTJVUDUVOMFOS-QGZVFWFLSA-N 2 0 361.921 1.536 20 30 FDEDRP C[NH+]=C(NCC(C)(C)[NH+](C)C)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000262016576 672712239 /nfs/dbraw/zinc/71/22/39/672712239.db2.gz XWECGMUDUSEXAV-CYBMUJFWSA-N 2 0 352.914 1.819 20 30 FDEDRP CC[NH+]=C(NC[C@]1(O)CCSC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000262403053 672783654 /nfs/dbraw/zinc/78/36/54/672783654.db2.gz OBLCRXLSNKUQSH-GOSISDBHSA-N 2 0 354.564 1.817 20 30 FDEDRP CN1CC[NH+]=C1NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000262477881 672796096 /nfs/dbraw/zinc/79/60/96/672796096.db2.gz CMEFTLMRVVNKQG-UHFFFAOYSA-N 2 0 355.408 1.848 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1ccccc1Cl ZINC000264131912 672902181 /nfs/dbraw/zinc/90/21/81/672902181.db2.gz UDRBMPYITBNBCU-ZDUSSCGKSA-N 2 0 351.882 1.458 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)c1cc(OC)cc(OC)c1 ZINC000267462450 673306751 /nfs/dbraw/zinc/30/67/51/673306751.db2.gz VNPZXCKLVZVKSH-PBHICJAKSA-N 2 0 350.463 1.126 20 30 FDEDRP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000303872570 676543238 /nfs/dbraw/zinc/54/32/38/676543238.db2.gz CBTJHHDDIVFNBJ-CQSZACIVSA-N 2 0 351.495 1.338 20 30 FDEDRP CC[N@@H+]1C[C@H](C)N(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@@H]1C ZINC000329032483 676616726 /nfs/dbraw/zinc/61/67/26/676616726.db2.gz LRYJPYFIGHCSEZ-ONIAQPFYSA-N 2 0 352.523 1.693 20 30 FDEDRP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)[C@H]2C1 ZINC000329459515 676639586 /nfs/dbraw/zinc/63/95/86/676639586.db2.gz RQWKZGJCYRMEMB-BGTYHANMSA-N 2 0 350.507 1.304 20 30 FDEDRP O=C(NC1CC[NH+](C2CC2)CC1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330182155 676677010 /nfs/dbraw/zinc/67/70/10/676677010.db2.gz ORQYCBCTUBGCBZ-MSOLQXFVSA-N 2 0 350.507 1.495 20 30 FDEDRP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[N@@H+]1C1CC1 ZINC000330189214 676677432 /nfs/dbraw/zinc/67/74/32/676677432.db2.gz VBOBTPAHXMMFRW-AETAKHFUSA-N 2 0 350.507 1.493 20 30 FDEDRP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000378424627 678746837 /nfs/dbraw/zinc/74/68/37/678746837.db2.gz FGAVGXCBRLYRJL-RTBURBONSA-N 2 0 350.551 1.759 20 30 FDEDRP C[NH+]=C(NCC1CCOCC1)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000175897509 773787651 /nfs/dbraw/zinc/78/76/51/773787651.db2.gz QVVULSJIQXIGLY-UHFFFAOYSA-N 2 0 365.566 1.528 20 30 FDEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001104588235 788739463 /nfs/dbraw/zinc/73/94/63/788739463.db2.gz HNVJQZYVKGBHQK-VSZNYVQBSA-N 2 0 364.534 1.093 20 30 FDEDRP C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@H]2C)C1=O ZINC001104810035 793793483 /nfs/dbraw/zinc/79/34/83/793793483.db2.gz XEEKBHIAPDOEDE-KZNAEPCWSA-N 2 0 364.534 1.189 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001105067228 795129977 /nfs/dbraw/zinc/12/99/77/795129977.db2.gz SIJZYDHBHSRCPN-BRWVUGGUSA-N 2 0 352.523 1.092 20 30 FDEDRP C=CC[C@]1(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCC[NH2+]1 ZINC000662761357 803090184 /nfs/dbraw/zinc/09/01/84/803090184.db2.gz ORKDLQMMDAWCKU-HXUWFJFHSA-N 2 0 372.517 1.193 20 30 FDEDRP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C2)C1 ZINC000981775246 808471033 /nfs/dbraw/zinc/47/10/33/808471033.db2.gz YGFRTLAIHVWVIQ-MOPGFXCFSA-N 2 0 361.530 1.844 20 30 FDEDRP C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)N1CC[NH+](C)CC1 ZINC000433305402 810407235 /nfs/dbraw/zinc/40/72/35/810407235.db2.gz NLQKRRNZZKSSQJ-QGZVFWFLSA-N 2 0 367.501 1.584 20 30 FDEDRP C=CC[NH+]=C(NCc1nnc(C)n1C)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000261933651 811346980 /nfs/dbraw/zinc/34/69/80/811346980.db2.gz BWQRJCPALRZAFT-WMZOPIPTSA-N 2 0 371.533 1.704 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])C(C)C ZINC000419570039 812024037 /nfs/dbraw/zinc/02/40/37/812024037.db2.gz MZNQWUWEQMBYKM-RCCFBDPRSA-N 2 0 364.534 1.530 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000419729555 812120227 /nfs/dbraw/zinc/12/02/27/812120227.db2.gz OQFQWTUJOOWVRS-UHFFFAOYSA-N 2 0 358.486 1.131 20 30 FDEDRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000261964266 817819303 /nfs/dbraw/zinc/81/93/03/817819303.db2.gz AQMQVEJOHVFHOW-IAGOWNOFSA-N 2 0 373.549 1.670 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000521611616 821313311 /nfs/dbraw/zinc/31/33/11/821313311.db2.gz FYZPHONWJLUFKH-HLAWJBBLSA-N 2 0 373.497 1.655 20 30 FDEDRP CN(C)C(=O)CNC(=[NH+]C1CCCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000262254756 823986537 /nfs/dbraw/zinc/98/65/37/823986537.db2.gz CNPXOFFXWVIJHN-QGZVFWFLSA-N 2 0 363.550 1.771 20 30 FDEDRP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCC[NH+]1C ZINC000329312897 824730632 /nfs/dbraw/zinc/73/06/32/824730632.db2.gz GPRSGQAJFCXVHK-JENIJYKNSA-N 2 0 374.533 1.887 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105650752 842440476 /nfs/dbraw/zinc/44/04/76/842440476.db2.gz AKOSAIIMZCGRDM-IKVWTGGYSA-N 2 0 363.546 1.870 20 30 FDEDRP C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105658698 842497281 /nfs/dbraw/zinc/49/72/81/842497281.db2.gz IQTSBTVRGXWPFS-HNBVOPMISA-N 2 0 367.534 1.107 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[N@@H+](C)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105666706 843296738 /nfs/dbraw/zinc/29/67/38/843296738.db2.gz IMAJKJAXRWGJHP-LFGUQSLTSA-N 2 0 351.535 1.870 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)N1CCN(C(=O)C(=C)CC[NH+](C)C)CC(C)C1 ZINC000909283062 856390904 /nfs/dbraw/zinc/39/09/04/856390904.db2.gz QICSMHCXOHOCRK-UHFFFAOYSA-N 2 0 364.534 1.309 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CC)[C@@H]2CC[N@H+](CC)C2)CC1 ZINC000668843386 857696914 /nfs/dbraw/zinc/69/69/14/857696914.db2.gz PVXSTCWVZKJTKZ-QGZVFWFLSA-N 2 0 350.507 1.086 20 30 FDEDRP C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](CC)CC1 ZINC000669334723 863001139 /nfs/dbraw/zinc/00/11/39/863001139.db2.gz KEBZDEMUCFJTGA-SJORKVTESA-N 2 0 360.506 1.532 20 30 FDEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000151728414 869410843 /nfs/dbraw/zinc/41/08/43/869410843.db2.gz UTVJYHJCIUOECI-OWLYRPNTSA-N 2 0 364.534 1.466 20 30 FDEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001106751678 877533528 /nfs/dbraw/zinc/53/35/28/877533528.db2.gz LSBNKZYELNQLMR-UKRRQHHQSA-N 2 0 353.898 1.495 20 30 FDEDRP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC2(CCOCC2)C1 ZINC001089942471 912673752 /nfs/dbraw/zinc/67/37/52/912673752.db2.gz WMCNKZUQVIMORP-GBESFXJTSA-N 2 0 361.530 1.727 20 30 FDEDRP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3ccc(OCC#N)cc3)C2)CC[N@@H+]1C ZINC001031684091 887453248 /nfs/dbraw/zinc/45/32/48/887453248.db2.gz GPQDVDUBSSDJHQ-VQTJNVASSA-N 2 0 370.497 1.867 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000921886121 892536449 /nfs/dbraw/zinc/53/64/49/892536449.db2.gz WTRHQVUZPOXUCR-HXUWFJFHSA-N 2 0 370.497 1.150 20 30 FDEDRP C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1=O ZINC001002858343 894698630 /nfs/dbraw/zinc/69/86/30/894698630.db2.gz CFNLHVHPIAVFKI-RCCFBDPRSA-N 2 0 362.518 1.084 20 30 FDEDRP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089945548 896729671 /nfs/dbraw/zinc/72/96/71/896729671.db2.gz SEOYQMMTBPYVFL-FGTMMUONSA-N 2 0 365.518 1.269 20 30 FDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079243162 902340102 /nfs/dbraw/zinc/34/01/02/902340102.db2.gz PECADDGABOBXST-AKHDSKFASA-N 2 0 361.530 1.842 20 30 FDEDRP COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1C#N ZINC001080377467 905283088 /nfs/dbraw/zinc/28/30/88/905283088.db2.gz SCMSNTNAOZEDOS-DNVCBOLYSA-N 2 0 370.497 1.845 20 30 FDEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC#CCOC)CC2 ZINC001107646290 906262459 /nfs/dbraw/zinc/26/24/59/906262459.db2.gz GLMMNOSJHLSLGY-QKNQBKEWSA-N 2 0 361.530 1.871 20 30 FDEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000997094703 907268756 /nfs/dbraw/zinc/26/87/56/907268756.db2.gz XBRMQGZANUFKGD-AHRSYUTCSA-N 2 0 361.530 1.583 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC001082520851 908223728 /nfs/dbraw/zinc/22/37/28/908223728.db2.gz XJNJLHZOMHGQKP-XNFNUYLZSA-N 2 0 370.497 1.866 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001082559979 908615506 /nfs/dbraw/zinc/61/55/06/908615506.db2.gz VMYQYINHPMFFLT-LXGCGDOSSA-N 2 0 370.497 1.844 20 30 FDEDRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC001082861831 910523786 /nfs/dbraw/zinc/52/37/86/910523786.db2.gz PZEHHLFKSKVDOU-SPYBWZPUSA-N 2 0 358.461 1.976 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3nc(C)cc3C)C2)CC1 ZINC001082941519 911016874 /nfs/dbraw/zinc/01/68/74/911016874.db2.gz VKBMJEKUDUJLKQ-OXQOHEQNSA-N 2 0 371.529 1.282 20 30 FDEDRP CC(=NNC(=S)NCCC[NH+](C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000731928544 918844816 /nfs/dbraw/zinc/84/48/16/918844816.db2.gz KWXQISKLKPSPIY-UHFFFAOYSA-N 2 0 365.547 1.767 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@@H]1n1ccnn1 ZINC001129892065 938542673 /nfs/dbraw/zinc/54/26/73/938542673.db2.gz FSGLAIMBHLXDDF-QYZOEREBSA-N 2 0 370.501 1.050 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@@H]1n1ccnn1 ZINC001130033709 938634322 /nfs/dbraw/zinc/63/43/22/938634322.db2.gz BMGFZHLHAYYSPY-KSZLIROESA-N 2 0 360.506 1.460 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1n1ccnn1 ZINC001130125209 938696016 /nfs/dbraw/zinc/69/60/16/938696016.db2.gz CBYXCWKQLCSPKH-MSOLQXFVSA-N 2 0 360.506 1.462 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1c1cn(C)cn1 ZINC001130615284 939912909 /nfs/dbraw/zinc/91/29/09/939912909.db2.gz OTGGOTSTDXZALQ-PKOBYXMFSA-N 2 0 371.529 1.756 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1c1cn(C)cn1 ZINC001130604464 939915701 /nfs/dbraw/zinc/91/57/01/939915701.db2.gz BDHXOCACBAJUJS-UHOSZYNNSA-N 2 0 357.502 1.202 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130607640 939919353 /nfs/dbraw/zinc/91/93/53/939919353.db2.gz GQZTXMBGKOUWQU-UHOSZYNNSA-N 2 0 359.518 1.611 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130733973 940034207 /nfs/dbraw/zinc/03/42/07/940034207.db2.gz DNDGTCHAWAPDIN-SXLOBPIMSA-N 2 0 371.529 1.448 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130731497 940044910 /nfs/dbraw/zinc/04/49/10/940044910.db2.gz HCSXLEVOEVCYDL-PKOBYXMFSA-N 2 0 359.518 1.756 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1cncn1C ZINC001130994223 940416512 /nfs/dbraw/zinc/41/65/12/940416512.db2.gz NWGYMZUVXABWOK-IPMKNSEASA-N 2 0 371.529 1.612 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1c1cncn1C ZINC001130994323 940417310 /nfs/dbraw/zinc/41/73/10/940417310.db2.gz TWECYLHOXURMNP-BSDSXHPESA-N 2 0 357.502 1.058 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1c1cncn1C ZINC001131003508 940429696 /nfs/dbraw/zinc/42/96/96/940429696.db2.gz HSAAMGGQERHEMC-KZNAEPCWSA-N 2 0 357.502 1.202 20 30 FDEDRP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001131595213 940777997 /nfs/dbraw/zinc/77/79/97/940777997.db2.gz SDTYEXZXMGTDPS-QUCCMNQESA-N 2 0 370.497 1.770 20 30 FDEDRP NC(=O)c1ccc(C(=[NH2+])Nc2cccc3cc([C@H]4C[NH2+]CCO4)cn32)cc1 ZINC001171258879 951727594 /nfs/dbraw/zinc/72/75/94/951727594.db2.gz NWBOVRXDLJVFMG-QGZVFWFLSA-N 2 0 363.421 1.736 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4cccnc4)C[C@@]3(C)C2)CC1 ZINC001092299743 954747795 /nfs/dbraw/zinc/74/77/95/954747795.db2.gz GFKNMOFGIATXAV-IRLDBZIGSA-N 2 0 366.509 1.707 20 30 FDEDRP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092503986 955275736 /nfs/dbraw/zinc/27/57/36/955275736.db2.gz FXKAKKIUVLWKRF-ATZDWAIDSA-N 2 0 370.497 1.845 20 30 FDEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092615791 955824540 /nfs/dbraw/zinc/82/45/40/955824540.db2.gz PSVVCOPYJCCFPS-AFYVEPGGSA-N 2 0 361.530 1.441 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001093673184 958516606 /nfs/dbraw/zinc/51/66/06/958516606.db2.gz KQZDXSVSKZVWKW-LZQZEXGQSA-N 2 0 370.497 1.845 20 30 FDEDRP C[NH+]1CCN(CCC[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173421200 962116018 /nfs/dbraw/zinc/11/60/18/962116018.db2.gz PRRUNKPKIBPMFG-UHFFFAOYSA-N 2 0 369.513 1.390 20 30 FDEDRP O=C(C#CC1CC[NH2+]CC1)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000852793703 967612177 /nfs/dbraw/zinc/61/21/77/967612177.db2.gz DIBJIDICFLNHQD-UHFFFAOYSA-N 2 0 355.438 1.537 20 30 FDEDRP O=C(C#CC1CC[NH2+]CC1)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000852797008 967614445 /nfs/dbraw/zinc/61/44/45/967614445.db2.gz WUDNKCSYQDUSDX-MRXNPFEDSA-N 2 0 355.438 1.537 20 30 FDEDRP CC[NH+]1CCN(Cc2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)CC1 ZINC000852872106 967678789 /nfs/dbraw/zinc/67/87/89/967678789.db2.gz BDCOJMAJAGLMID-UHFFFAOYSA-N 2 0 354.498 1.766 20 30 FDEDRP C#CC[N@H+](C)CCCNC(=O)NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1 ZINC000854094095 968588033 /nfs/dbraw/zinc/58/80/33/968588033.db2.gz DMHKANCEUUAKGW-IBGZPJMESA-N 2 0 358.486 1.008 20 30 FDEDRP C#CCN1CCN(C(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000121964665 977206460 /nfs/dbraw/zinc/20/64/60/977206460.db2.gz SHTGXTKSWNACIV-UHFFFAOYSA-N 2 0 360.546 1.352 20 30 FDEDRP CC[N@@H+]1CCCC[C@@H]1CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000133972873 982982590 /nfs/dbraw/zinc/98/25/90/982982590.db2.gz FOKVNPFQRNMOLZ-CVEARBPZSA-N 2 0 365.522 1.741 20 30 FDEDRP C[NH+](C)C1(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)Cc2ccccc2C1 ZINC000884224721 982998629 /nfs/dbraw/zinc/99/86/29/982998629.db2.gz XIYYDURCAWZUGA-QPIRBTGLSA-N 2 0 352.482 1.341 20 30 FDEDRP Cc1nc(N2CCOCC2)ccc1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884315446 983077025 /nfs/dbraw/zinc/07/70/25/983077025.db2.gz PDWNUAIJOJFFST-HVEKOLDVSA-N 2 0 355.442 1.305 20 30 FDEDRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1 ZINC000884432239 983152541 /nfs/dbraw/zinc/15/25/41/983152541.db2.gz YHDPLQAMWKVEKQ-LFDOHDQPSA-N 2 0 369.469 1.056 20 30 FDEDRP C(#CCN1CC[C@H](C[NH+]2CCCC2)C1)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000364963660 989919103 /nfs/dbraw/zinc/91/91/03/989919103.db2.gz QVARZCDTCYGKAJ-FGZHOGPDSA-N 2 0 358.574 1.825 20 30 FDEDRP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N ZINC000968725388 1015577664 /nfs/dbraw/zinc/57/76/64/1015577664.db2.gz VKAKNPKVQIAIMM-ZTFGCOKTSA-N 2 0 356.470 1.598 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)CC1 ZINC000923642524 992031605 /nfs/dbraw/zinc/03/16/05/992031605.db2.gz UQUVDAHXZUPPKC-FQEVSTJZSA-N 2 0 354.498 1.966 20 30 FDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000876755879 992878825 /nfs/dbraw/zinc/87/88/25/992878825.db2.gz MZQQTURKLYTKIZ-GOSISDBHSA-N 2 0 364.921 1.733 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC000127859895 995050730 /nfs/dbraw/zinc/05/07/30/995050730.db2.gz XMUQWGZTIWTLTF-OALUTQOASA-N 2 0 360.546 1.349 20 30 FDEDRP [NH2+]=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)N1CCOCC1 ZINC000104173157 998314075 /nfs/dbraw/zinc/31/40/75/998314075.db2.gz AQPQGNASHNVOJR-UHFFFAOYSA-N 2 0 359.518 1.231 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC(=O)N1Cc2ccccc2C1 ZINC000267432902 999334661 /nfs/dbraw/zinc/33/46/61/999334661.db2.gz MYFRIRBMSOKJQG-GOSISDBHSA-N 2 0 357.502 1.698 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)CC1 ZINC000269409676 999467742 /nfs/dbraw/zinc/46/77/42/999467742.db2.gz HCLYACRWCDHGLO-GOSISDBHSA-N 2 0 355.486 1.506 20 30 FDEDRP C#CCN(C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1CC[NH+](C)CC1 ZINC000930214814 1002935349 /nfs/dbraw/zinc/93/53/49/1002935349.db2.gz TZIROXXKFRYWPD-QGZVFWFLSA-N 2 0 364.534 1.025 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccc(C)cc1)N1CCOCC1 ZINC000303867189 1009643446 /nfs/dbraw/zinc/64/34/46/1009643446.db2.gz CTKXAOQDPLVQRI-WOJBJXKFSA-N 2 0 373.545 1.757 20 30 FDEDRP Cc1cccc(N2CC[NH+](CCCCNC(=[NH2+])NC[C@H]3CCCO3)CC2)c1 ZINC000195522369 1011767117 /nfs/dbraw/zinc/76/71/17/1011767117.db2.gz WGXXNAPDQISNFO-HXUWFJFHSA-N 2 0 373.545 1.981 20 30 FDEDRP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]Cc3ccc(OCC#N)cc3)C2)CC[N@@H+]1C ZINC000961848708 1012938971 /nfs/dbraw/zinc/93/89/71/1012938971.db2.gz HFLRBLKNSHVXQB-CNXCKVANSA-N 2 0 370.497 1.914 20 30 FDEDRP CN(CC[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000177381032 174126008 /nfs/dbraw/zinc/12/60/08/174126008.db2.gz NMWCBXCADWXLJH-IBGZPJMESA-N 2 0 360.502 1.256 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000553330239 543610872 /nfs/dbraw/zinc/61/08/72/543610872.db2.gz BEWMTXZKOVBXSA-IRXDYDNUSA-N 2 0 364.534 1.522 20 30 FDEDRP CN(CCC#N)c1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000092615784 524898575 /nfs/dbraw/zinc/89/85/75/524898575.db2.gz PJBGLADIUVVLIV-UHFFFAOYSA-N 2 0 371.529 1.926 20 30 FDEDRP NC(=NOCC(=O)N1CCOCC1)c1ccccc1C[NH+]1CCCCC1 ZINC000102653990 525297933 /nfs/dbraw/zinc/29/79/33/525297933.db2.gz AWINZJHOYCJIMX-UHFFFAOYSA-N 2 0 360.458 1.168 20 30 FDEDRP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177511883 525302072 /nfs/dbraw/zinc/30/20/72/525302072.db2.gz RPTJTSUWXCYLCI-KURKYZTESA-N 2 0 364.534 1.958 20 30 FDEDRP COc1ccc(CNC(=[NH2+])NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000104159784 525398448 /nfs/dbraw/zinc/39/84/48/525398448.db2.gz BFBGKLIGCXLFHG-HUUCEWRRSA-N 2 0 364.490 1.607 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000171568201 526039154 /nfs/dbraw/zinc/03/91/54/526039154.db2.gz CZRMNCHYCKKWFF-AEFFLSMTSA-N 2 0 362.518 1.086 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000109174657 526086666 /nfs/dbraw/zinc/08/66/66/526086666.db2.gz SVJQNSFTFSMMAH-SFHVURJKSA-N 2 0 352.523 1.419 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000247541077 537131356 /nfs/dbraw/zinc/13/13/56/537131356.db2.gz CZRMNCHYCKKWFF-WMZOPIPTSA-N 2 0 362.518 1.086 20 30 FDEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000274850729 537533993 /nfs/dbraw/zinc/53/39/93/537533993.db2.gz QWCOQUAIVAKXKM-RYRKJORJSA-N 2 0 358.486 1.887 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc2c(C#N)cnn2c1 ZINC000564986284 547145330 /nfs/dbraw/zinc/14/53/30/547145330.db2.gz PYXNFCKHVJXQFY-SFHVURJKSA-N 2 0 355.490 1.449 20 30 FDEDRP N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000565363338 547321136 /nfs/dbraw/zinc/32/11/36/547321136.db2.gz FGBQNKMEENCYTF-KRWDZBQOSA-N 2 0 365.499 1.158 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000567242350 548046685 /nfs/dbraw/zinc/04/66/85/548046685.db2.gz LCHFWNJZFMYFAC-UHFFFAOYSA-N 2 0 356.470 1.428 20 30 FDEDRP C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000568745336 548661903 /nfs/dbraw/zinc/66/19/03/548661903.db2.gz UGPONYGEBUGOLG-RHSMWYFYSA-N 2 0 361.465 1.776 20 30 FDEDRP C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000568745335 548662236 /nfs/dbraw/zinc/66/22/36/548662236.db2.gz UGPONYGEBUGOLG-PBHICJAKSA-N 2 0 361.465 1.776 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000574065360 550254403 /nfs/dbraw/zinc/25/44/03/550254403.db2.gz NQYCFPAXWPOKKA-SFHVURJKSA-N 2 0 362.518 1.230 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[N@@H+](CC)CC1)C(C)C ZINC000577755449 550691744 /nfs/dbraw/zinc/69/17/44/550691744.db2.gz RNKCMIIGPJMVOT-GOSISDBHSA-N 2 0 364.534 1.355 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000580229410 550957122 /nfs/dbraw/zinc/95/71/22/550957122.db2.gz DBGGGVLIBUMRMF-UHFFFAOYSA-N 2 0 364.534 1.381 20 30 FDEDRP CS(=O)(=O)N1CC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000581948304 551154578 /nfs/dbraw/zinc/15/45/78/551154578.db2.gz GZDKECQEHNDSNB-GOSISDBHSA-N 2 0 362.499 1.146 20 30 FDEDRP N#CCCCC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000594439674 552310578 /nfs/dbraw/zinc/31/05/78/552310578.db2.gz YMVJEZWSOOPAPD-IBGZPJMESA-N 2 0 358.486 1.671 20 30 FDEDRP CN1CC[N@H+](CCCNC(=O)[C@H]([NH3+])CCCCC#N)[C@@H](c2ccccc2)C1 ZINC000594439720 552311340 /nfs/dbraw/zinc/31/13/40/552311340.db2.gz UNCOPWORDADFLJ-WOJBJXKFSA-N 2 0 371.529 1.893 20 30 FDEDRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)cc1 ZINC000600722121 553307104 /nfs/dbraw/zinc/30/71/04/553307104.db2.gz GGHQIQFJQSMFGC-SFHVURJKSA-N 2 0 361.486 1.788 20 30 FDEDRP CC(C)[C@@H](C#N)N1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602794111 553640275 /nfs/dbraw/zinc/64/02/75/553640275.db2.gz FNWIVHNFYCYSDK-NHCUHLMSSA-N 2 0 356.514 1.789 20 30 FDEDRP C[NH+](C)[C@H](CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)C1CC1 ZINC000089120534 671491704 /nfs/dbraw/zinc/49/17/04/671491704.db2.gz YJVXVJIXJMFZCB-HUUCEWRRSA-N 2 0 351.495 1.207 20 30 FDEDRP C[NH+](C)[C@@H](CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)C1CC1 ZINC000089120533 671491708 /nfs/dbraw/zinc/49/17/08/671491708.db2.gz YJVXVJIXJMFZCB-GJZGRUSLSA-N 2 0 351.495 1.207 20 30 FDEDRP C[NH+]=C(NCC1CC[NH+](C)CC1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000158946103 671985350 /nfs/dbraw/zinc/98/53/50/671985350.db2.gz HKYZLIYSKQZYLQ-OAHLLOKOSA-N 2 0 364.925 1.821 20 30 FDEDRP C[NH+]=C(NCC1([NH+]2CCSCC2)CCCC1)N(C)C[C@H]1CCOC1 ZINC000261656209 672644417 /nfs/dbraw/zinc/64/44/17/672644417.db2.gz NFZFPVXBXSCXPO-MRXNPFEDSA-N 2 0 354.564 1.892 20 30 FDEDRP CCc1nsc(N2CCN(C(NC[C@H]3CC[N@@H+](CC)C3)=[NH+]C)CC2)n1 ZINC000261694247 672652862 /nfs/dbraw/zinc/65/28/62/672652862.db2.gz FKUFKTAMHIUUJZ-CQSZACIVSA-N 2 0 365.551 1.140 20 30 FDEDRP C[NH+]=C(NCC1([NH+](C)C)CCCC1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000261783053 672671623 /nfs/dbraw/zinc/67/16/23/672671623.db2.gz QFXYTHZRSFADEB-QGZVFWFLSA-N 2 0 351.539 1.090 20 30 FDEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH+]C)N2CC(=O)N(C(C)C)C(C)(C)C2)C1 ZINC000261813365 672676482 /nfs/dbraw/zinc/67/64/82/672676482.db2.gz HVFRYHRCISHHIU-INIZCTEOSA-N 2 0 351.539 1.625 20 30 FDEDRP CNC(=O)CC1CCN(C(NCC2([NH+](C)C)CCCCC2)=[NH+]C)CC1 ZINC000261822293 672678416 /nfs/dbraw/zinc/67/84/16/672678416.db2.gz UQEZKCONNUKPCV-UHFFFAOYSA-N 2 0 351.539 1.674 20 30 FDEDRP C[NH+]=C(NC[C@@H](C)N1CC[NH+](C)CC1)N(C)Cc1cc(Cl)cn1C ZINC000261961054 672702902 /nfs/dbraw/zinc/70/29/02/672702902.db2.gz KFHUZVTWOREZMG-CQSZACIVSA-N 2 0 354.930 1.322 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(Cl)c2c(c1)OCCO2 ZINC000262003738 672710149 /nfs/dbraw/zinc/71/01/49/672710149.db2.gz QNYGUTOWTVDQEX-ZDUSSCGKSA-N 2 0 352.866 2.000 20 30 FDEDRP C[NH+]=C(NC[C@@]1(O)CCSC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000262333475 672772114 /nfs/dbraw/zinc/77/21/14/672772114.db2.gz BKYDENZYRAWOOT-SFHVURJKSA-N 2 0 354.564 1.817 20 30 FDEDRP CC[NH+]=C(NCC1(SC)CCOCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262751217 672841217 /nfs/dbraw/zinc/84/12/17/672841217.db2.gz BWTVMDTZMPDDLM-MRXNPFEDSA-N 2 0 352.548 1.810 20 30 FDEDRP CC[NH+]=C(NCC1([NH+](C)C)CCOCC1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262776533 672847412 /nfs/dbraw/zinc/84/74/12/672847412.db2.gz KEFDBODBAUMGJE-ARFHVFGLSA-N 2 0 352.523 1.466 20 30 FDEDRP CC[NH+]=C(NCCN1CCSCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262784779 672849492 /nfs/dbraw/zinc/84/94/92/672849492.db2.gz MBJWSRYKJPWDPJ-KRWDZBQOSA-N 2 0 353.580 1.561 20 30 FDEDRP C[N@@H+]1CCCN(CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000264113626 672901545 /nfs/dbraw/zinc/90/15/45/672901545.db2.gz RVZJEGUCYYXREB-UHFFFAOYSA-N 2 0 359.396 1.949 20 30 FDEDRP CO[C@H](CNC(=[NH2+])NCCCN1CCOCC1)c1cccc(Cl)c1 ZINC000267393838 673299322 /nfs/dbraw/zinc/29/93/22/673299322.db2.gz DLZQYTUWUINFRY-MRXNPFEDSA-N 2 0 354.882 1.654 20 30 FDEDRP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000303871586 676543326 /nfs/dbraw/zinc/54/33/26/676543326.db2.gz BRZZFJFYYBOCBA-OAHLLOKOSA-N 2 0 353.511 1.586 20 30 FDEDRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000329729658 676652111 /nfs/dbraw/zinc/65/21/11/676652111.db2.gz FXVXQBBRJPHTMU-INIZCTEOSA-N 2 0 350.507 1.762 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)C(C)C ZINC000419565954 680278598 /nfs/dbraw/zinc/27/85/98/680278598.db2.gz FMKYWXSIBQQGFT-INIZCTEOSA-N 2 0 350.507 1.012 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C)C(C)C ZINC000419575891 680281319 /nfs/dbraw/zinc/28/13/19/680281319.db2.gz WRJFDRIQGLVMDU-GVDBMIGSSA-N 2 0 350.507 1.010 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC(C)(C)CN2CC[NH+](CC)CC2)CC1 ZINC000458317878 684241070 /nfs/dbraw/zinc/24/10/70/684241070.db2.gz CFSYWUVEUVOCRH-UHFFFAOYSA-N 2 0 351.539 1.352 20 30 FDEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001112481075 771865164 /nfs/dbraw/zinc/86/51/64/771865164.db2.gz CTLZLDUBUVOIAG-UJRDFLTJSA-N 2 0 357.498 1.091 20 30 FDEDRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1 ZINC001104256544 772447234 /nfs/dbraw/zinc/44/72/34/772447234.db2.gz FCFMQYVCZHMVAJ-KURKYZTESA-N 2 0 355.498 1.390 20 30 FDEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001104256948 772450096 /nfs/dbraw/zinc/45/00/96/772450096.db2.gz XSHMDOPBUQRCFV-BRWVUGGUSA-N 2 0 370.513 1.043 20 30 FDEDRP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001104832674 793963738 /nfs/dbraw/zinc/96/37/38/793963738.db2.gz NORRJLUJUXHNQC-RTBURBONSA-N 2 0 351.535 1.995 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000162454495 795344022 /nfs/dbraw/zinc/34/40/22/795344022.db2.gz RLJZABVBLQJXFM-OAQYLSRUSA-N 2 0 373.545 1.538 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000364454160 796037485 /nfs/dbraw/zinc/03/74/85/796037485.db2.gz IXGMZGDHOKGORC-NRFANRHFSA-N 2 0 368.525 1.437 20 30 FDEDRP CN(CCC#N)c1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000105475993 807099063 /nfs/dbraw/zinc/09/90/63/807099063.db2.gz INHPCDVEYUXTAR-SFHVURJKSA-N 2 0 357.502 1.713 20 30 FDEDRP C[C@H]1C[C@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC000332923477 809946308 /nfs/dbraw/zinc/94/63/08/809946308.db2.gz GAABRIMPJQEDTI-QFBILLFUSA-N 2 0 355.486 1.868 20 30 FDEDRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(C#N)cc3F)C2)CC[N@@H+]1C ZINC001028550426 810621866 /nfs/dbraw/zinc/62/18/66/810621866.db2.gz PIEKNCKNQZJBLR-UWWQBHOKSA-N 2 0 358.461 1.976 20 30 FDEDRP CC[NH+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261936929 816530460 /nfs/dbraw/zinc/53/04/60/816530460.db2.gz MCZJNFUUBUIZCD-MRXNPFEDSA-N 2 0 363.550 1.767 20 30 FDEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112167576 822399337 /nfs/dbraw/zinc/39/93/37/822399337.db2.gz SFRNPPWVCLEWNR-MCIONIFRSA-N 2 0 351.413 1.508 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCc3ccnn3C)[C@@H]2CC)CC1 ZINC001087840443 822559737 /nfs/dbraw/zinc/55/97/37/822559737.db2.gz XSIQBPYIVUUGFZ-VQTJNVASSA-N 2 0 371.529 1.277 20 30 FDEDRP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCC[NH+]1C ZINC000329510804 824844518 /nfs/dbraw/zinc/84/45/18/824844518.db2.gz MVLXXJMRJUFAMB-LZLYRXPVSA-N 2 0 360.506 1.497 20 30 FDEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000262335504 825338700 /nfs/dbraw/zinc/33/87/00/825338700.db2.gz SEBPEZRQKALPOD-INIZCTEOSA-N 2 0 362.474 1.931 20 30 FDEDRP C[NH+](C)C1(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CCCC1 ZINC000330129645 825661854 /nfs/dbraw/zinc/66/18/54/825661854.db2.gz KCIYRWKGMCIYPK-INIZCTEOSA-N 2 0 365.522 1.013 20 30 FDEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000262442586 826930128 /nfs/dbraw/zinc/93/01/28/826930128.db2.gz UTVJYHJCIUOECI-DZJNRPSUSA-N 2 0 364.534 1.466 20 30 FDEDRP C=CCc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc(OC)c1O ZINC000262082556 837419768 /nfs/dbraw/zinc/41/97/68/837419768.db2.gz TXUPCKSCDHZHEX-KRWDZBQOSA-N 2 0 361.486 1.949 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105637224 842270796 /nfs/dbraw/zinc/27/07/96/842270796.db2.gz LTZRGOQLKJNJSF-SOAMZJECSA-N 2 0 361.530 1.460 20 30 FDEDRP C=C(Cl)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105660415 842540294 /nfs/dbraw/zinc/54/02/94/842540294.db2.gz UXPGVBKILCVWID-JOCBIADPSA-N 2 0 357.926 1.657 20 30 FDEDRP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C(C)C)C[C@H]1O ZINC001105667164 843517261 /nfs/dbraw/zinc/51/72/61/843517261.db2.gz OXDOKUOACIDJTC-HNBVOPMISA-N 2 0 351.535 1.870 20 30 FDEDRP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C(C)C)C[C@H]1O ZINC001105667167 843518174 /nfs/dbraw/zinc/51/81/74/843518174.db2.gz OXDOKUOACIDJTC-LFGUQSLTSA-N 2 0 351.535 1.870 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)C(=C)CC[NH+](C)C ZINC000912075254 859330996 /nfs/dbraw/zinc/33/09/96/859330996.db2.gz PYDBXVRXDWKQIB-HDICACEKSA-N 2 0 364.534 1.546 20 30 FDEDRP C[C@H](CNC(NC[C@@H]1CCCO1)=[NH+]C(C)(C)C)C[NH+]1CCN(C)CC1 ZINC000912508909 859832501 /nfs/dbraw/zinc/83/25/01/859832501.db2.gz SWLYOICTDZCGDW-SJORKVTESA-N 2 0 353.555 1.383 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1 ZINC001105945077 864179202 /nfs/dbraw/zinc/17/92/02/864179202.db2.gz KDVGYBFIWSZYAL-POAQFYNOSA-N 2 0 357.473 1.956 20 30 FDEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001106347457 874884207 /nfs/dbraw/zinc/88/42/07/874884207.db2.gz YXDZSLIAUHENQW-QZTJIDSGSA-N 2 0 360.502 1.795 20 30 FDEDRP C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001106784382 877827123 /nfs/dbraw/zinc/82/71/23/877827123.db2.gz IIJQYDYUTKZSDN-QZTJIDSGSA-N 2 0 364.534 1.213 20 30 FDEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000922627223 878845575 /nfs/dbraw/zinc/84/55/75/878845575.db2.gz KJJUSGKIDXLCFT-KRWDZBQOSA-N 2 0 350.507 1.226 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000921241687 887575835 /nfs/dbraw/zinc/57/58/35/887575835.db2.gz FQRSOCXEVWZXDD-UHFFFAOYSA-N 2 0 350.507 1.273 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CCCCCOC)[C@H](C)C2)CC1 ZINC001107034202 899848173 /nfs/dbraw/zinc/84/81/73/899848173.db2.gz ONJXKNMOBAYZCG-UYAOXDASSA-N 2 0 363.546 1.832 20 30 FDEDRP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107039782 900075082 /nfs/dbraw/zinc/07/50/82/900075082.db2.gz YSZUSJDHWQYPNB-QZTJIDSGSA-N 2 0 366.550 1.435 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N(Cc2ccccc2)[C@@H]2C[N@H+](CC)C[C@H]2O)CC1 ZINC001079146906 901968703 /nfs/dbraw/zinc/96/87/03/901968703.db2.gz NSPPQCSAUUYGCY-NHCUHLMSSA-N 2 0 369.509 1.425 20 30 FDEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]3COC[C@@H]32)CC1 ZINC001079242210 902245662 /nfs/dbraw/zinc/24/56/62/902245662.db2.gz SEBINTGZPGDAQM-SLFFLAALSA-N 2 0 371.525 1.291 20 30 FDEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259532 902294457 /nfs/dbraw/zinc/29/44/57/902294457.db2.gz DZFBUZLQDDVWFL-CEXWTWQISA-N 2 0 361.530 1.844 20 30 FDEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]3COC[C@@H]32)CC1 ZINC001079243326 902342485 /nfs/dbraw/zinc/34/24/85/902342485.db2.gz YYMYKISSXRAHAO-VNTMZGSJSA-N 2 0 373.541 1.679 20 30 FDEDRP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1=O ZINC000996602116 904323297 /nfs/dbraw/zinc/32/32/97/904323297.db2.gz DOYQAZGBSBTMQB-OKZBNKHCSA-N 2 0 362.518 1.084 20 30 FDEDRP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107402283 904737804 /nfs/dbraw/zinc/73/78/04/904737804.db2.gz KHSHTFVMPUFFNZ-QKNQBKEWSA-N 2 0 361.530 1.870 20 30 FDEDRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C)cc1C#N ZINC001082448537 907813965 /nfs/dbraw/zinc/81/39/65/907813965.db2.gz UPONOOKMSDDPRU-ZTFGCOKTSA-N 2 0 356.470 1.598 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001082559468 908610518 /nfs/dbraw/zinc/61/05/18/908610518.db2.gz GDNXZJPVKCDRKY-UPRAQXHNSA-N 2 0 358.461 1.974 20 30 FDEDRP C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]2C)C1=O ZINC001082645336 909302527 /nfs/dbraw/zinc/30/25/27/909302527.db2.gz VVLPOQQBBYFCLW-FHLIZLRMSA-N 2 0 367.453 1.171 20 30 FDEDRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccccc4C#N)[C@H]3C2)C1 ZINC001085092666 920804096 /nfs/dbraw/zinc/80/40/96/920804096.db2.gz LCLIXBXRCSBDNT-AHRSYUTCSA-N 2 0 352.482 1.933 20 30 FDEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001085202855 922673392 /nfs/dbraw/zinc/67/33/92/922673392.db2.gz ALDCVVIFWIFBLH-HUUCEWRRSA-N 2 0 353.898 1.828 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H](C)c2cnccn2)CC1 ZINC001085432615 924679869 /nfs/dbraw/zinc/67/98/69/924679869.db2.gz HKVFOHICQAPFDB-QXAKKESOSA-N 2 0 369.513 1.900 20 30 FDEDRP COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N ZINC001086090571 925949713 /nfs/dbraw/zinc/94/97/13/925949713.db2.gz FZYTZTFSJHSOMF-SKWUIDRYSA-N 2 0 370.497 1.891 20 30 FDEDRP C=C(C[NH+](C)C)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804446645 938443361 /nfs/dbraw/zinc/44/33/61/938443361.db2.gz MIXVMFVCVBZHTA-HXUWFJFHSA-N 2 0 356.514 1.523 20 30 FDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001129918815 938567514 /nfs/dbraw/zinc/56/75/14/938567514.db2.gz KIYBQHGYQZACGM-BBWFWOEESA-N 2 0 362.522 1.705 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001130047030 938645929 /nfs/dbraw/zinc/64/59/29/938645929.db2.gz SMOIRDOQOGRJKD-FGTMMUONSA-N 2 0 360.506 1.009 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1c1cn(C)cn1 ZINC001130733938 940034128 /nfs/dbraw/zinc/03/41/28/940034128.db2.gz BGMUFZWASYKHPA-UHOSZYNNSA-N 2 0 357.502 1.202 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001130989062 940411239 /nfs/dbraw/zinc/41/12/39/940411239.db2.gz UDXYCIOEVPPGGF-KZNAEPCWSA-N 2 0 357.502 1.200 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1c1cncn1C ZINC001130994383 940417000 /nfs/dbraw/zinc/41/70/00/940417000.db2.gz XVCDVPLPBRCYRP-QZTJIDSGSA-N 2 0 371.529 1.592 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001131008219 940434763 /nfs/dbraw/zinc/43/47/63/940434763.db2.gz XNDJFCGTTUERSE-IPMKNSEASA-N 2 0 371.529 1.590 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001131012432 940444257 /nfs/dbraw/zinc/44/42/57/940444257.db2.gz ISYHGCSDJKYIID-RCCFBDPRSA-N 2 0 357.502 1.202 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCCCCC)C[C@H]1c1cncn1C ZINC001131091443 940495812 /nfs/dbraw/zinc/49/58/12/940495812.db2.gz HZBMTPSIDJNQBX-QZTJIDSGSA-N 2 0 359.518 1.449 20 30 FDEDRP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001131502315 940652597 /nfs/dbraw/zinc/65/25/97/940652597.db2.gz AEHZLEFHECZQBZ-AABGKKOBSA-N 2 0 361.530 1.868 20 30 FDEDRP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001131610221 940789789 /nfs/dbraw/zinc/78/97/89/940789789.db2.gz GJLXWAGQUPXDQF-CTNGQTDRSA-N 2 0 361.530 1.871 20 30 FDEDRP C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086853677 952871545 /nfs/dbraw/zinc/87/15/45/952871545.db2.gz MVLFLHPQNDRBGD-UONOGXRCSA-N 2 0 356.308 1.865 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@H]1c1cnn(C)c1 ZINC001087011329 953103232 /nfs/dbraw/zinc/10/32/32/953103232.db2.gz PVQBMBKTSUHVKF-ZCNNSNEGSA-N 2 0 371.529 1.448 20 30 FDEDRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001087035131 953143954 /nfs/dbraw/zinc/14/39/54/953143954.db2.gz NAYCBSHZQBNLGT-VAMGGRTRSA-N 2 0 370.497 1.606 20 30 FDEDRP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@H+](Cc1ccccc1C#N)C2 ZINC001092203048 954528806 /nfs/dbraw/zinc/52/88/06/954528806.db2.gz AWCDJKNXHKVAKT-CTNGQTDRSA-N 2 0 364.493 1.934 20 30 FDEDRP C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093193857 957751617 /nfs/dbraw/zinc/75/16/17/957751617.db2.gz OHSMHNZXCLZOPK-NZSAHSFTSA-N 2 0 357.473 1.813 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3cnccc3C)C[C@H]2C)CC1 ZINC001093222058 957849036 /nfs/dbraw/zinc/84/90/36/957849036.db2.gz GCYODEWHZXZLTM-WIYYLYMNSA-N 2 0 368.525 1.919 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+]([C@@H](C)c3cnccn3)C[C@H]2C)CC1 ZINC001093224448 957856001 /nfs/dbraw/zinc/85/60/01/957856001.db2.gz WNSMXRXXDHAESF-ZIFCJYIRSA-N 2 0 369.513 1.567 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001093672991 958514980 /nfs/dbraw/zinc/51/49/80/958514980.db2.gz HOLVKRXZWXKBOQ-BJZITVGISA-N 2 0 358.461 1.976 20 30 FDEDRP COCCC[NH+]1CCC(NC(=[NH2+])c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001172248056 961594489 /nfs/dbraw/zinc/59/44/89/961594489.db2.gz VIUFWXIIZQARER-UHFFFAOYSA-N 2 0 353.488 1.296 20 30 FDEDRP O=C(C#CC1CC[NH2+]CC1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000852865773 967670652 /nfs/dbraw/zinc/67/06/52/967670652.db2.gz OTGJECUEBSBQSU-UHFFFAOYSA-N 2 0 355.482 1.263 20 30 FDEDRP C[N@@H+]1CCN(CCCNC(=O)C#CC2CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000852872053 967678745 /nfs/dbraw/zinc/67/87/45/967678745.db2.gz AIJOJQSHOUMECL-OAQYLSRUSA-N 2 0 368.525 1.484 20 30 FDEDRP N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)cc1 ZINC001199370239 974221694 /nfs/dbraw/zinc/22/16/94/974221694.db2.gz QLVXNWVHIMVNPK-WOJBJXKFSA-N 2 0 370.497 1.486 20 30 FDEDRP N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000848394146 976715858 /nfs/dbraw/zinc/71/58/58/976715858.db2.gz GZILAEQHWYGHKB-DLBZAZTESA-N 2 0 358.442 1.945 20 30 FDEDRP C[NH+]=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)NCc1ccco1 ZINC000849053226 977294880 /nfs/dbraw/zinc/29/48/80/977294880.db2.gz OMQDLIGRNYOAAP-UHFFFAOYSA-N 2 0 371.489 1.337 20 30 FDEDRP CC(C)[N@H+](C)CCCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000849087069 977308052 /nfs/dbraw/zinc/30/80/52/977308052.db2.gz UIJVDBVNPHVTBL-HNNXBMFYSA-N 2 0 353.511 1.597 20 30 FDEDRP C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C1([NH+]2CCOCC2)CCCC1 ZINC000884227281 983000420 /nfs/dbraw/zinc/00/04/20/983000420.db2.gz LZDZJKJKJAFHQJ-SDDULXJBSA-N 2 0 360.502 1.275 20 30 FDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1)C2 ZINC000884279693 983050537 /nfs/dbraw/zinc/05/05/37/983050537.db2.gz RBIBQZBRNMXGDG-VOLNDZDFSA-N 2 0 358.873 1.952 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884314378 983076295 /nfs/dbraw/zinc/07/62/95/983076295.db2.gz HSRMXCDFSXOEBM-WJXBRQKSSA-N 2 0 352.482 1.762 20 30 FDEDRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1 ZINC000884404970 983140341 /nfs/dbraw/zinc/14/03/41/983140341.db2.gz CWRKKUVFPVVZPD-SQWWSAFRSA-N 2 0 368.481 1.396 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH+](C)[C@H]1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)NCC=C)CC1 ZINC000886394038 986148167 /nfs/dbraw/zinc/14/81/67/986148167.db2.gz NLXCOSDMZFUWPP-XSLAGTTESA-N 2 0 364.534 1.543 20 30 FDEDRP C#CCC[NH+]1CCC(NC(=O)c2cnn(CC[NH+]3CCCCC3)c2)CC1 ZINC000363575766 989317446 /nfs/dbraw/zinc/31/74/46/989317446.db2.gz VHSKDSYNCFVFCA-UHFFFAOYSA-N 2 0 357.502 1.587 20 30 FDEDRP Cc1cc(C#N)cc(NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000873982774 989575051 /nfs/dbraw/zinc/57/50/51/989575051.db2.gz RXEYCGXWVQRNQM-IAGOWNOFSA-N 2 0 371.485 1.003 20 30 FDEDRP C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(OCC#N)cc1 ZINC000371508491 990488693 /nfs/dbraw/zinc/48/86/93/990488693.db2.gz JUKMDHXWLOTZMY-HKUYNNGSSA-N 2 0 358.486 1.646 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)C[C@H]1C[NH+](C)C ZINC000875542149 991718304 /nfs/dbraw/zinc/71/83/04/991718304.db2.gz YLXOEZAORIQDNA-GGPKGHCWSA-N 2 0 369.513 1.926 20 30 FDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000876780694 992905714 /nfs/dbraw/zinc/90/57/14/992905714.db2.gz IQZRAIMXWNHZHD-HNNXBMFYSA-N 2 0 351.882 1.310 20 30 FDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000876782787 992910820 /nfs/dbraw/zinc/91/08/20/992910820.db2.gz ZOSAZNUIAZPZCI-QGZVFWFLSA-N 2 0 350.894 1.785 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000876859807 992939340 /nfs/dbraw/zinc/93/93/40/992939340.db2.gz LYBISWSWVNSICR-BJLQDIEVSA-N 2 0 352.482 1.983 20 30 FDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1 ZINC000876966084 992988009 /nfs/dbraw/zinc/98/80/09/992988009.db2.gz MLLXXEJZNLTOPW-CFVMTHIKSA-N 2 0 355.841 1.866 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000876973991 992991393 /nfs/dbraw/zinc/99/13/93/992991393.db2.gz UWCGMBWSOJXGHU-MJGOQNOKSA-N 2 0 354.454 1.115 20 30 FDEDRP N#Cc1cc(C[NH+]2CCC(CO)CC2)cc(C[NH+]2CCC(CO)CC2)c1 ZINC000877961444 993575077 /nfs/dbraw/zinc/57/50/77/993575077.db2.gz PLTLTQFPAFKZAG-UHFFFAOYSA-N 2 0 357.498 1.967 20 30 FDEDRP N#Cc1cc(C[NH+]2C[C@H]3C[C@@]3(CO)C2)cc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000878482299 993978077 /nfs/dbraw/zinc/97/80/77/993978077.db2.gz ONINACRWSDAFPV-UJOPUZHASA-N 2 0 353.466 1.187 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)C(C)C ZINC000470897907 994180483 /nfs/dbraw/zinc/18/04/83/994180483.db2.gz AAJAJFRQDLUQDV-SFHVURJKSA-N 2 0 366.550 1.783 20 30 FDEDRP COCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)CC1CC[NH+](C)CC1 ZINC000879123944 994556895 /nfs/dbraw/zinc/55/68/95/994556895.db2.gz NASCDZNUCUVEES-UHFFFAOYSA-N 2 0 364.534 1.961 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000264073538 997395155 /nfs/dbraw/zinc/39/51/55/997395155.db2.gz DVKTZIBTUVAQIP-SJLPKXTDSA-N 2 0 359.518 1.910 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000264073534 997395710 /nfs/dbraw/zinc/39/57/10/997395710.db2.gz DVKTZIBTUVAQIP-FUHWJXTLSA-N 2 0 359.518 1.910 20 30 FDEDRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OCC#N)cc1 ZINC001110976167 1002315047 /nfs/dbraw/zinc/31/50/47/1002315047.db2.gz DXQPAFKPMKXWJL-QRQLOZEOSA-N 2 0 356.470 1.762 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cnc(OC)c(C#N)c1 ZINC000932512342 1004995187 /nfs/dbraw/zinc/99/51/87/1004995187.db2.gz WOVFKYCNDNEYGH-KRWDZBQOSA-N 2 0 374.489 1.842 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](CC#N)C(F)(F)F ZINC000932916737 1005242648 /nfs/dbraw/zinc/24/26/48/1005242648.db2.gz VHZKNEYQFDTFSR-ZIAGYGMSSA-N 2 0 363.428 1.888 20 30 FDEDRP CC[NH+](CC)Cc1cccc(CNC(=[NH2+])NCCCN2CCOCC2)c1 ZINC000303868448 1009645003 /nfs/dbraw/zinc/64/50/03/1009645003.db2.gz AKYRPBISVSWEQF-UHFFFAOYSA-N 2 0 361.534 1.655 20 30 FDEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000519575541 539493771 /nfs/dbraw/zinc/49/37/71/539493771.db2.gz VJVXBSKPUHQURS-UHFFFAOYSA-N 2 0 355.442 1.779 20 30 FDEDRP C[C@@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)N1CCSCC1 ZINC000269698110 180364285 /nfs/dbraw/zinc/36/42/85/180364285.db2.gz QDEQBWCAIVINGH-INIZCTEOSA-N 2 0 358.511 1.640 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000549981017 542981125 /nfs/dbraw/zinc/98/11/25/542981125.db2.gz YGFDISQHRTYZIP-UHFFFAOYSA-N 2 0 364.534 1.524 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000551217804 543253582 /nfs/dbraw/zinc/25/35/82/543253582.db2.gz WTHKBVNJIANZNF-KZNAEPCWSA-N 2 0 364.534 1.400 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000551624213 543313496 /nfs/dbraw/zinc/31/34/96/543313496.db2.gz JDPUXCGMQFMGTJ-UHFFFAOYSA-N 2 0 364.534 1.522 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](CCCC)CC2)CC1 ZINC000552507133 543478403 /nfs/dbraw/zinc/47/84/03/543478403.db2.gz XRULBSMQXVIORU-UHFFFAOYSA-N 2 0 364.534 1.524 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000553669150 543677943 /nfs/dbraw/zinc/67/79/43/543677943.db2.gz LEQYDCNIQBROPR-KRWDZBQOSA-N 2 0 364.534 1.237 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000556652904 544169035 /nfs/dbraw/zinc/16/90/35/544169035.db2.gz AYEORHACKIBRBL-IBGZPJMESA-N 2 0 372.513 1.481 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000559755302 544785052 /nfs/dbraw/zinc/78/50/52/544785052.db2.gz JMSKSMDKACWZLT-UHFFFAOYSA-N 2 0 351.539 1.352 20 30 FDEDRP C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000331379044 259190705 /nfs/dbraw/zinc/19/07/05/259190705.db2.gz FRDXQRRDIPJRNH-XLIONFOSSA-N 2 0 369.513 1.845 20 30 FDEDRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000333682766 259369866 /nfs/dbraw/zinc/36/98/66/259369866.db2.gz OYTCHWNZVMHHCR-APWZRJJASA-N 2 0 355.486 1.774 20 30 FDEDRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000333682769 259369887 /nfs/dbraw/zinc/36/98/87/259369887.db2.gz OYTCHWNZVMHHCR-LPHOPBHVSA-N 2 0 355.486 1.774 20 30 FDEDRP Cc1cccc(N2CC[NH+](CCC(=O)NC3(C#N)CC[NH+](C)CC3)CC2)c1 ZINC000081358154 524107616 /nfs/dbraw/zinc/10/76/16/524107616.db2.gz SMBFQXYEYSKDET-UHFFFAOYSA-N 2 0 369.513 1.611 20 30 FDEDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000157191054 524226235 /nfs/dbraw/zinc/22/62/35/524226235.db2.gz JODDBNCXMVNTSN-UHFFFAOYSA-N 2 0 358.895 1.326 20 30 FDEDRP C=C(C)CN(CC)C(=O)[C@H](C)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131247258 525838763 /nfs/dbraw/zinc/83/87/63/525838763.db2.gz LOGCELBICPWJTD-DOTOQJQBSA-N 2 0 350.507 1.214 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)CC1 ZINC000171737705 526102962 /nfs/dbraw/zinc/10/29/62/526102962.db2.gz VMOPQDAMJFDUJS-INIZCTEOSA-N 2 0 350.507 1.532 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000171764709 526113222 /nfs/dbraw/zinc/11/32/22/526113222.db2.gz YNMFYDIDQOEGBY-LJQANCHMSA-N 2 0 363.550 1.448 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000188565843 536903955 /nfs/dbraw/zinc/90/39/55/536903955.db2.gz CMNJCLHRDKPIPX-MRXNPFEDSA-N 2 0 352.523 1.514 20 30 FDEDRP C=CCNC(=O)NC(=O)[C@H](C)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266612786 536909842 /nfs/dbraw/zinc/90/98/42/536909842.db2.gz INCBSRRBPDGNIT-FUHWJXTLSA-N 2 0 358.486 1.841 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(S(=O)(=O)CC)s1 ZINC000279925173 537359368 /nfs/dbraw/zinc/35/93/68/537359368.db2.gz FPJITKMGWQSUBY-GFCCVEGCSA-N 2 0 358.533 1.430 20 30 FDEDRP C(#CC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21)C[NH+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459745571 538694384 /nfs/dbraw/zinc/69/43/84/538694384.db2.gz BXBLYDXSYNBQPO-ZRNYENFQSA-N 2 0 356.510 1.992 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)CC1 ZINC000473006876 538735233 /nfs/dbraw/zinc/73/52/33/538735233.db2.gz YQDIEZYAZCLAAP-SFHVURJKSA-N 2 0 352.523 1.779 20 30 FDEDRP C[N@@H+]1CCN(CC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1(C)C ZINC000567700812 548218830 /nfs/dbraw/zinc/21/88/30/548218830.db2.gz RRGFENCKKXBYGN-GOSISDBHSA-N 2 0 360.502 1.108 20 30 FDEDRP CCC[NH+]1CCC(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000570322124 549237732 /nfs/dbraw/zinc/23/77/32/549237732.db2.gz ASORKCGQTNQGHY-UHFFFAOYSA-N 2 0 350.488 1.439 20 30 FDEDRP CC(C)[N@@H+]1CCC[C@H](CNCCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000573357603 550119661 /nfs/dbraw/zinc/11/96/61/550119661.db2.gz DSZLMRRDSRWNNT-MRXNPFEDSA-N 2 0 350.488 1.437 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000578215293 550740168 /nfs/dbraw/zinc/74/01/68/550740168.db2.gz VAZPQYAQGNVBPT-QGZVFWFLSA-N 2 0 364.534 1.380 20 30 FDEDRP CSC1(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC[NH+](C)CC1 ZINC000583436420 551351540 /nfs/dbraw/zinc/35/15/40/551351540.db2.gz GLFJPFOKZOFSSS-KRWDZBQOSA-N 2 0 363.527 1.909 20 30 FDEDRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593714066 552180807 /nfs/dbraw/zinc/18/08/07/552180807.db2.gz JVVVKUHFUPLPBZ-HNAYVOBHSA-N 2 0 355.486 1.820 20 30 FDEDRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593718896 552182010 /nfs/dbraw/zinc/18/20/10/552182010.db2.gz AKOPVJVMYVFYPZ-JKSUJKDBSA-N 2 0 355.486 1.914 20 30 FDEDRP CC(C)(C#N)C[C@H](O)C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000598720229 552928036 /nfs/dbraw/zinc/92/80/36/552928036.db2.gz MNWDQLMRRXCPKE-KRWDZBQOSA-N 2 0 360.506 1.269 20 30 FDEDRP N#CC1(C[C@@H](O)C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000600717681 553306647 /nfs/dbraw/zinc/30/66/47/553306647.db2.gz LOULUVNBBBJFPV-HXUWFJFHSA-N 2 0 356.514 1.839 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)C(C)C ZINC000621844702 556169294 /nfs/dbraw/zinc/16/92/94/556169294.db2.gz VPXYSDBBSJVJBR-SQGPQFPESA-N 2 0 362.518 1.141 20 30 FDEDRP CC[NH+]=C(NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)N1CCN(C(C)=O)CC1 ZINC000103893780 671593318 /nfs/dbraw/zinc/59/33/18/671593318.db2.gz GYOGWTZAQVXDBA-INIZCTEOSA-N 2 0 351.539 1.627 20 30 FDEDRP CC[NH+]=C(NC[C@H]1CCC[N@@H+](C(C)C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158614561 671981333 /nfs/dbraw/zinc/98/13/33/671981333.db2.gz ILEJSQMYWYDIQA-MRXNPFEDSA-N 2 0 372.579 1.581 20 30 FDEDRP CC[NH+]=C(NC[C@H](C)N1CC[NH+](C)CC1)N1CCS[C@@H](C(C)C)C1 ZINC000261833162 672680095 /nfs/dbraw/zinc/68/00/95/672680095.db2.gz VSYRRJWFTPFFHD-DLBZAZTESA-N 2 0 355.596 1.661 20 30 FDEDRP C[NH+]=C(NC[C@@H]1CCCO1)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000262379419 672779762 /nfs/dbraw/zinc/77/97/62/672779762.db2.gz KDUHLUVERMMOBN-KRWDZBQOSA-N 2 0 351.539 1.281 20 30 FDEDRP CN1CC[N@H+](C)C[C@@H]1CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000262515951 672802023 /nfs/dbraw/zinc/80/20/23/672802023.db2.gz GFSUUMYELYQCRK-KRWDZBQOSA-N 2 0 364.925 1.023 20 30 FDEDRP C[NH+]=C(NC[C@@]1(N(C)C)CCSC1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262762000 672843754 /nfs/dbraw/zinc/84/37/54/672843754.db2.gz GFIOZQYYGXMJEU-MMNRESRNSA-N 2 0 353.580 1.604 20 30 FDEDRP C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000303907858 676544004 /nfs/dbraw/zinc/54/40/04/676544004.db2.gz XEBZWGDOMXZHND-OAHLLOKOSA-N 2 0 353.511 1.728 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1c(F)cccc1F)N(C)C ZINC000304749672 676544416 /nfs/dbraw/zinc/54/44/16/676544416.db2.gz HWZUJSIFOAXDON-CZUORRHYSA-N 2 0 353.461 1.956 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000305809283 676545328 /nfs/dbraw/zinc/54/53/28/676545328.db2.gz IEJKEVYPWYVOTA-OAHLLOKOSA-N 2 0 353.511 1.776 20 30 FDEDRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)[C@H](C)C1 ZINC000329411146 676637583 /nfs/dbraw/zinc/63/75/83/676637583.db2.gz BSVDTUCHFTUJQR-SJORKVTESA-N 2 0 354.539 1.942 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000419571972 680280301 /nfs/dbraw/zinc/28/03/01/680280301.db2.gz PWADIGOCWQVCET-BRWVUGGUSA-N 2 0 350.507 1.187 20 30 FDEDRP Cc1ncc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1C#N ZINC000489046939 687074775 /nfs/dbraw/zinc/07/47/75/687074775.db2.gz NVWBFKXZQZCUHF-UHFFFAOYSA-N 2 0 367.519 1.156 20 30 FDEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001112481488 771915874 /nfs/dbraw/zinc/91/58/74/771915874.db2.gz OMXOTNCIIUEYPA-KBGGIIEESA-N 2 0 359.514 1.644 20 30 FDEDRP C=CCC[C@@H](CO)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000458100042 780492701 /nfs/dbraw/zinc/49/27/01/780492701.db2.gz GFGZHDGWYWHHDS-KRWDZBQOSA-N 2 0 361.490 1.220 20 30 FDEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001104389359 780637538 /nfs/dbraw/zinc/63/75/38/780637538.db2.gz WSCKDCGFMQSRGY-NVXWUHKLSA-N 2 0 369.469 1.324 20 30 FDEDRP C#CC1(O)CC[NH+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000931146290 795660925 /nfs/dbraw/zinc/66/09/25/795660925.db2.gz CFSVBNOORASQSG-GOSISDBHSA-N 2 0 369.509 1.616 20 30 FDEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1ccccc1 ZINC001211732681 809824683 /nfs/dbraw/zinc/82/46/83/809824683.db2.gz UKQUGKBXAYLNTN-VQTJNVASSA-N 2 0 357.498 1.561 20 30 FDEDRP C[NH+]=C(NC[C@@H]1C[N@H+](CC(C)C)CCO1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000178804897 810577761 /nfs/dbraw/zinc/57/77/61/810577761.db2.gz LOUDDKVOKHEDRV-XDNAFOTISA-N 2 0 364.534 1.466 20 30 FDEDRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000261993118 811362570 /nfs/dbraw/zinc/36/25/70/811362570.db2.gz MYABLKLGPPUNMN-INIZCTEOSA-N 2 0 359.522 1.424 20 30 FDEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000262012665 811367382 /nfs/dbraw/zinc/36/73/82/811367382.db2.gz WZXUEJGQWRWOBU-QGZVFWFLSA-N 2 0 367.501 1.084 20 30 FDEDRP C[NH+]=C(NCCc1nnc2n1CCCCC2)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261798478 811646756 /nfs/dbraw/zinc/64/67/56/811646756.db2.gz RFHQGDFARJLMSC-GDBMZVCRSA-N 2 0 359.522 1.195 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000419565166 812021918 /nfs/dbraw/zinc/02/19/18/812021918.db2.gz DOJWXHIUIINFMJ-FGTMMUONSA-N 2 0 362.518 1.154 20 30 FDEDRP Cc1nnc(CNC(=[NH+]C2CC2)N2CC[C@H](C[NH+]3CCCCC3)C2)n1C ZINC000261955864 817629967 /nfs/dbraw/zinc/62/99/67/817629967.db2.gz ISNQMBMSPBPPID-MRXNPFEDSA-N 2 0 359.522 1.539 20 30 FDEDRP C[NH+](C)[C@H]1CCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000331164867 819668616 /nfs/dbraw/zinc/66/86/16/819668616.db2.gz HIJSVYKNJHDQGH-INIZCTEOSA-N 2 0 367.538 1.163 20 30 FDEDRP N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)c1 ZINC001075799551 820468982 /nfs/dbraw/zinc/46/89/82/820468982.db2.gz FXHMVLFQAGWFPT-PCCBWWKXSA-N 2 0 364.493 1.933 20 30 FDEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001087969507 824260346 /nfs/dbraw/zinc/26/03/46/824260346.db2.gz ZFOCUILULQRAIR-WCIQWLHISA-N 2 0 359.514 1.147 20 30 FDEDRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000330310793 825892501 /nfs/dbraw/zinc/89/25/01/825892501.db2.gz NNFRAOCZLYTAQX-BHIYHBOVSA-N 2 0 366.550 1.988 20 30 FDEDRP CC[NH+]=C(NCCN1CCOCC1(C)C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262455631 826997883 /nfs/dbraw/zinc/99/78/83/826997883.db2.gz KZJIYRFOKGWCMZ-SFHVURJKSA-N 2 0 365.566 1.623 20 30 FDEDRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccc(F)c(C#N)c4)CC[C@@H]3C2)C1 ZINC001088199377 827430155 /nfs/dbraw/zinc/43/01/55/827430155.db2.gz LRYYEFDCVFMJPQ-AOIWGVFYSA-N 2 0 370.472 1.929 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccnc4)CC[C@@H]3C2)CC1 ZINC001088211869 827493007 /nfs/dbraw/zinc/49/30/07/827493007.db2.gz DHCPXRVNFVCJSD-RTWAWAEBSA-N 2 0 366.509 1.707 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC1 ZINC000527731837 829158479 /nfs/dbraw/zinc/15/84/79/829158479.db2.gz XLZCUOACPQKDDR-UHFFFAOYSA-N 2 0 364.534 1.923 20 30 FDEDRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](O)COc3ccccc3C#N)C2)CC1 ZINC000528375892 829369764 /nfs/dbraw/zinc/36/97/64/829369764.db2.gz DOPFPVUWHKTDBG-MOPGFXCFSA-N 2 0 358.486 1.010 20 30 FDEDRP C=CCc1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc(OC)c1O ZINC000262082558 837419738 /nfs/dbraw/zinc/41/97/38/837419738.db2.gz TXUPCKSCDHZHEX-QGZVFWFLSA-N 2 0 361.486 1.949 20 30 FDEDRP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001088571789 834849822 /nfs/dbraw/zinc/84/98/22/834849822.db2.gz NNYSPQJLLWBOAU-YSGRDPCXSA-N 2 0 352.482 1.979 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)COCC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105668752 844091040 /nfs/dbraw/zinc/09/10/40/844091040.db2.gz ZACDKOMKUANLKP-LFGUQSLTSA-N 2 0 367.534 1.107 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105652873 842453913 /nfs/dbraw/zinc/45/39/13/842453913.db2.gz QAGRTWGYFRMLKA-LFGUQSLTSA-N 2 0 351.535 1.870 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC2CC[NH+](CCC)CC2)CC1 ZINC000477695070 842732368 /nfs/dbraw/zinc/73/23/68/842732368.db2.gz AQSXMGFFHMSVFA-UHFFFAOYSA-N 2 0 364.534 1.381 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105672639 845185045 /nfs/dbraw/zinc/18/50/45/845185045.db2.gz CDGDEVVUWCVAIJ-UKAVVXHISA-N 2 0 361.530 1.462 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105676278 845885825 /nfs/dbraw/zinc/88/58/25/845885825.db2.gz VDQGICHYKAISMG-HNBVOPMISA-N 2 0 351.535 1.869 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106672257 876513816 /nfs/dbraw/zinc/51/38/16/876513816.db2.gz MYHMKRBWWMAKQC-BRWVUGGUSA-N 2 0 364.534 1.093 20 30 FDEDRP C#CC[NH+](C)CCCNC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000922626541 878844441 /nfs/dbraw/zinc/84/44/41/878844441.db2.gz BWCXIIUKGIBIMS-XSYGEPLQSA-N 2 0 364.534 1.111 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC000917412605 883398426 /nfs/dbraw/zinc/39/84/26/883398426.db2.gz JJJASMCVPVCKOC-UHFFFAOYSA-N 2 0 350.507 1.273 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001106898168 886381555 /nfs/dbraw/zinc/38/15/55/886381555.db2.gz WUHCMAAYVPSZGV-IXDOHACOSA-N 2 0 352.523 1.093 20 30 FDEDRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000900044668 886842848 /nfs/dbraw/zinc/84/28/48/886842848.db2.gz FPGWAUPLGHEACB-AZUAARDMSA-N 2 0 356.470 1.048 20 30 FDEDRP C[NH+](C)[C@@H](CNc1ccc(C#N)c(NC[C@H](C2CC2)[NH+](C)C)n1)C1CC1 ZINC000436397813 887283717 /nfs/dbraw/zinc/28/37/17/887283717.db2.gz ASIDLJVKWCJESP-ZWKOTPCHSA-N 2 0 356.518 2.457 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000923377986 889051050 /nfs/dbraw/zinc/05/10/50/889051050.db2.gz FNGQKDPVTSATAZ-GGPKGHCWSA-N 2 0 359.470 1.516 20 30 FDEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001112543529 889314742 /nfs/dbraw/zinc/31/47/42/889314742.db2.gz GCVJCHXUVVJOFG-ICSRJNTNSA-N 2 0 359.518 1.853 20 30 FDEDRP CC#CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001128107555 896967371 /nfs/dbraw/zinc/96/73/71/896967371.db2.gz UHTVXZHQVJOUOS-NZSAHSFTSA-N 2 0 369.513 1.230 20 30 FDEDRP C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001079146410 901965300 /nfs/dbraw/zinc/96/53/00/901965300.db2.gz KXLLFTKPUAGLDD-WOJBJXKFSA-N 2 0 367.493 1.179 20 30 FDEDRP C=CC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079246280 902258075 /nfs/dbraw/zinc/25/80/75/902258075.db2.gz ZPGLUFSHAMDSHY-GBESFXJTSA-N 2 0 361.530 1.986 20 30 FDEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)[C@@H]3COC[C@@H]32)CC1 ZINC001079271113 902332655 /nfs/dbraw/zinc/33/26/55/902332655.db2.gz HFOSAHNPZUGTDI-JQVVWYNYSA-N 2 0 371.525 1.435 20 30 FDEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](NC(=O)C(=C)C[NH+](C)C)c1ccc(C)o1 ZINC000764626140 905230462 /nfs/dbraw/zinc/23/04/62/905230462.db2.gz YCMXPPCCOJOFEC-MRXNPFEDSA-N 2 0 362.474 1.097 20 30 FDEDRP C#CCCN1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC000996775093 905312676 /nfs/dbraw/zinc/31/26/76/905312676.db2.gz DELIPUDMANAPNJ-YNIZLOQISA-N 2 0 360.546 1.395 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cnccc3C)C[C@H]2C)CC1 ZINC001080997790 906972227 /nfs/dbraw/zinc/97/22/27/906972227.db2.gz KPZGWQUAJSJCLU-YLJYHZDGSA-N 2 0 354.498 1.672 20 30 FDEDRP C#CCN(C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CC[NH+](C)CC1 ZINC000921533875 907639658 /nfs/dbraw/zinc/63/96/58/907639658.db2.gz YMGKYJFLYFDFGW-OALUTQOASA-N 2 0 362.518 1.103 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC001082559756 908613612 /nfs/dbraw/zinc/61/36/12/908613612.db2.gz OLNRNZOGSHEZBO-UPRAQXHNSA-N 2 0 358.461 1.974 20 30 FDEDRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1)[NH+](C)C ZINC001082747411 909691769 /nfs/dbraw/zinc/69/17/69/909691769.db2.gz RGXSLUWGUKYITG-LZQZEXGQSA-N 2 0 358.486 1.866 20 30 FDEDRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC001082863289 910527854 /nfs/dbraw/zinc/52/78/54/910527854.db2.gz YRXJVRPTOWKEGM-RDTXWAMCSA-N 2 0 356.445 1.730 20 30 FDEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@@H]21 ZINC001084943346 918610722 /nfs/dbraw/zinc/61/07/22/918610722.db2.gz VUEWHTFFQVYUJQ-LMCOJAPRSA-N 2 0 359.514 1.289 20 30 FDEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001085359744 924210519 /nfs/dbraw/zinc/21/05/19/924210519.db2.gz YDGHGPYOIOJXGH-HZPDHXFCSA-N 2 0 353.898 1.828 20 30 FDEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129326246 925900652 /nfs/dbraw/zinc/90/06/52/925900652.db2.gz DITFNJSCYIEIMR-MSOLQXFVSA-N 2 0 362.522 1.708 20 30 FDEDRP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000743491167 926378142 /nfs/dbraw/zinc/37/81/42/926378142.db2.gz ZHVYIXQEENOLHG-IBGZPJMESA-N 2 0 354.498 1.898 20 30 FDEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000743491171 926378616 /nfs/dbraw/zinc/37/86/16/926378616.db2.gz ZHVYIXQEENOLHG-LJQANCHMSA-N 2 0 354.498 1.898 20 30 FDEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129397535 938403169 /nfs/dbraw/zinc/40/31/69/938403169.db2.gz UWGQJQUOPHUOAF-KSZLIROESA-N 2 0 362.522 1.706 20 30 FDEDRP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@@H](n2ccnn2)C1 ZINC001129459930 938435719 /nfs/dbraw/zinc/43/57/19/938435719.db2.gz CIBVLKYWYGAZTN-KURKYZTESA-N 2 0 360.506 1.460 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129838071 938535159 /nfs/dbraw/zinc/53/51/59/938535159.db2.gz QEXWFDSZRLHQMR-KURKYZTESA-N 2 0 360.506 1.459 20 30 FDEDRP CCCCCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130107163 938687223 /nfs/dbraw/zinc/68/72/23/938687223.db2.gz GRDZOIMTVGNMJV-MSOLQXFVSA-N 2 0 364.538 1.932 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1c1cncn1C ZINC001131003780 940429875 /nfs/dbraw/zinc/42/98/75/940429875.db2.gz PKDGNWSJIZEOSF-BRWVUGGUSA-N 2 0 363.481 1.007 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1c1cncn1C ZINC001131007663 940433785 /nfs/dbraw/zinc/43/37/85/940433785.db2.gz FFFAVZBAAZRFGD-LMMKCTJWSA-N 2 0 359.518 1.611 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001131054299 940480977 /nfs/dbraw/zinc/48/09/77/940480977.db2.gz YLKJKAFYNSFBPX-WNRNVDISSA-N 2 0 359.518 1.611 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1c1cncn1C ZINC001131056121 940481915 /nfs/dbraw/zinc/48/19/15/940481915.db2.gz ZEPMGCBSLKTNHE-IAGOWNOFSA-N 2 0 369.469 1.296 20 30 FDEDRP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001131500027 940650841 /nfs/dbraw/zinc/65/08/41/940650841.db2.gz FVLKMGXCUZYLQM-NMLBUPMWSA-N 2 0 361.530 1.726 20 30 FDEDRP C=C(C[NH+](C)C)C(=O)Nc1ccc2c(c1)CC[C@H]2NC(=O)C(=C)C[NH+](C)C ZINC000856017004 970852152 /nfs/dbraw/zinc/85/21/52/970852152.db2.gz IFPMIJJABOFAHG-LJQANCHMSA-N 2 0 370.497 1.964 20 30 FDEDRP C#CC[N@@H+](C)CCCNC(=O)c1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000818599434 943327925 /nfs/dbraw/zinc/32/79/25/943327925.db2.gz QQBTXQJUDULWSQ-UHFFFAOYSA-N 2 0 360.477 1.653 20 30 FDEDRP C#CCNC(=O)CC[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000819200152 943472104 /nfs/dbraw/zinc/47/21/04/943472104.db2.gz LTDRQXAGIBWADR-UHFFFAOYSA-N 2 0 354.498 1.448 20 30 FDEDRP C[NH+]=C(NCC(=O)N1CCc2ccccc21)NC1CC[NH+](C(C)C)CC1 ZINC000114090161 971048448 /nfs/dbraw/zinc/04/84/48/971048448.db2.gz DOTKPOTZGGIZQC-UHFFFAOYSA-N 2 0 357.502 1.614 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1c1ccc(OC)cc1 ZINC001090880911 947596456 /nfs/dbraw/zinc/59/64/56/947596456.db2.gz QAJBHTRRLXFHTC-FFZOFVMBSA-N 2 0 355.482 1.697 20 30 FDEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]CCCOCCOCCOCCC[NH3+] ZINC001171186612 949355847 /nfs/dbraw/zinc/35/58/47/949355847.db2.gz XMMUEFUCWAAZHO-GOSISDBHSA-N 2 0 363.502 1.868 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncc(C)cn3)C2)CC1 ZINC001086882454 952914312 /nfs/dbraw/zinc/91/43/12/952914312.db2.gz RCKBYELVBZXNPS-PKOBYXMFSA-N 2 0 369.513 1.505 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001086982462 952995407 /nfs/dbraw/zinc/99/54/07/952995407.db2.gz LEJRWOQNEFFPHG-CEXWTWQISA-N 2 0 357.502 1.200 20 30 FDEDRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001087035130 953144194 /nfs/dbraw/zinc/14/41/94/953144194.db2.gz NAYCBSHZQBNLGT-HSALFYBXSA-N 2 0 370.497 1.606 20 30 FDEDRP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320257 972193646 /nfs/dbraw/zinc/19/36/46/972193646.db2.gz VQLFETFKCHUWAG-QZTJIDSGSA-N 2 0 355.523 1.229 20 30 FDEDRP C=CCN1CC[C@@H]([NH+]2C[C@@H]3CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]3C2)C1=O ZINC001189913754 967376315 /nfs/dbraw/zinc/37/63/15/967376315.db2.gz ZQKGDADABBRVAO-RCCFBDPRSA-N 2 0 362.518 1.038 20 30 FDEDRP COc1cccc([C@@H](CNC(=O)C#CC2CC[NH2+]CC2)[NH+]2CCCC2)c1 ZINC000852855594 967660795 /nfs/dbraw/zinc/66/07/95/967660795.db2.gz JRSYAAXCTZKGCY-HXUWFJFHSA-N 2 0 355.482 1.951 20 30 FDEDRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852872632 967678912 /nfs/dbraw/zinc/67/89/12/967678912.db2.gz JEJJAONAEISTBV-UHFFFAOYSA-N 2 0 374.573 1.644 20 30 FDEDRP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198698627 973377097 /nfs/dbraw/zinc/37/70/97/973377097.db2.gz CHGQOKDDMOGBLH-KZNAEPCWSA-N 2 0 355.523 1.086 20 30 FDEDRP C#C[C@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000847303194 975442519 /nfs/dbraw/zinc/44/25/19/975442519.db2.gz VMSDXRJVBBKPNU-SFHVURJKSA-N 2 0 355.486 1.649 20 30 FDEDRP CC(C)(C)OC(=O)N1CCN2C(NCc3ccc4c[nH+]cn4c3)=[NH+]C[C@H]2C1 ZINC000849116542 977329052 /nfs/dbraw/zinc/32/90/52/977329052.db2.gz SIZZEDNPURQLFJ-INIZCTEOSA-N 2 0 370.457 1.715 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849522198 977716639 /nfs/dbraw/zinc/71/66/39/977716639.db2.gz JWRHRHFZJIQNGE-MOPGFXCFSA-N 2 0 359.518 1.612 20 30 FDEDRP C#CC[C@H](CCOC)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000858167694 981886770 /nfs/dbraw/zinc/88/67/70/981886770.db2.gz WKOWACGMIDFGCX-GOSISDBHSA-N 2 0 373.501 1.321 20 30 FDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000884175946 982948288 /nfs/dbraw/zinc/94/82/88/982948288.db2.gz ODVSJHDLQHRBMQ-WBTXTPOCSA-N 2 0 352.482 1.907 20 30 FDEDRP Cc1cc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)n(C2CC[NH+](C)CC2)n1 ZINC000884225631 982999163 /nfs/dbraw/zinc/99/91/63/982999163.db2.gz YPSRASDUBAAWDH-HVEKOLDVSA-N 2 0 356.474 1.536 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000332141488 983001509 /nfs/dbraw/zinc/00/15/09/983001509.db2.gz KRKUSILJWBLMRB-AEFFLSMTSA-N 2 0 362.518 1.086 20 30 FDEDRP C[C@@H]1C[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[N@@H+]1Cc1ccccc1 ZINC000884228756 983003086 /nfs/dbraw/zinc/00/30/86/983003086.db2.gz YLMDXVUYQDVRTQ-FAIWXJIUSA-N 2 0 352.482 1.905 20 30 FDEDRP C[N@@H+]1CCCN(c2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)cc2)CC1 ZINC000884235006 983010780 /nfs/dbraw/zinc/01/07/80/983010780.db2.gz KJWFOTWXJWCXFL-BQIYRTECSA-N 2 0 367.497 1.906 20 30 FDEDRP CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000884306599 983071116 /nfs/dbraw/zinc/07/11/16/983071116.db2.gz ISNWAJQVNMHKDY-XTBIFASLSA-N 2 0 352.482 1.859 20 30 FDEDRP C[NH+](C)C[C@@H]1CCN(c2nc(N3CC[C@H](C[NH+](C)C)C3)ccc2C#N)C1 ZINC000293219569 987994095 /nfs/dbraw/zinc/99/40/95/987994095.db2.gz XZVLRCVMVCWEAA-SJORKVTESA-N 2 0 356.518 1.729 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000363343690 989111223 /nfs/dbraw/zinc/11/12/23/989111223.db2.gz XUVHTQUMQJAUHS-ROUUACIJSA-N 2 0 361.530 1.679 20 30 FDEDRP Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364757160 989771853 /nfs/dbraw/zinc/77/18/53/989771853.db2.gz PKLUEDJBEBCYEK-MRXNPFEDSA-N 2 0 369.469 1.090 20 30 FDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000876780562 992906369 /nfs/dbraw/zinc/90/63/69/992906369.db2.gz HHMXZCSAYNFZAQ-GOSISDBHSA-N 2 0 364.921 1.910 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000876859810 992940169 /nfs/dbraw/zinc/94/01/69/992940169.db2.gz LYBISWSWVNSICR-NSHGMRRFSA-N 2 0 352.482 1.983 20 30 FDEDRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876922809 992969644 /nfs/dbraw/zinc/96/96/44/992969644.db2.gz LTGBTTCRXVQVJN-RBUKOAKNSA-N 2 0 352.482 1.982 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000876946060 992977832 /nfs/dbraw/zinc/97/78/32/992977832.db2.gz FRRLEMNGZIMYNG-CUDHKJQZSA-N 2 0 368.481 1.490 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000876979323 992994385 /nfs/dbraw/zinc/99/43/85/992994385.db2.gz AZWLQJFVHGCURQ-YLJYHZDGSA-N 2 0 352.482 1.983 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877018840 993013628 /nfs/dbraw/zinc/01/36/28/993013628.db2.gz ROSYEALCTYXRTI-BPUTZDHNSA-N 2 0 366.387 1.731 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000264073531 997395485 /nfs/dbraw/zinc/39/54/85/997395485.db2.gz DVKTZIBTUVAQIP-AEFFLSMTSA-N 2 0 359.518 1.910 20 30 FDEDRP C=C(CNC(=O)[C@@H]1CCC[NH+]1C(C)C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000826627957 998283014 /nfs/dbraw/zinc/28/30/14/998283014.db2.gz RBNKXEQQZRKVRC-ROUUACIJSA-N 2 0 364.534 1.521 20 30 FDEDRP CN1CCC[N@H+](CCCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CC1 ZINC000104183211 998315529 /nfs/dbraw/zinc/31/55/29/998315529.db2.gz WWHQQJBJRPYSFI-UHFFFAOYSA-N 2 0 361.490 1.602 20 30 FDEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000890149885 998845002 /nfs/dbraw/zinc/84/50/02/998845002.db2.gz KSYLWAVXJFGHDQ-UHFFFAOYSA-N 2 0 371.485 1.326 20 30 FDEDRP C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000930137266 1002862952 /nfs/dbraw/zinc/86/29/52/1002862952.db2.gz QVURRWFAKWXBOS-NQIIRXRSSA-N 2 0 368.525 1.954 20 30 FDEDRP C#CC1(O)CC[NH+](CC(C[NH+]2CCC(O)(C#C)CC2)C2CCCC2)CC1 ZINC000931151195 1003926250 /nfs/dbraw/zinc/92/62/50/1003926250.db2.gz HNJXMKKHKBXLEK-UHFFFAOYSA-N 2 0 358.526 1.713 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1cccc(C)c1)N1CCOCC1 ZINC000303875511 1009645869 /nfs/dbraw/zinc/64/58/69/1009645869.db2.gz DLPBTBXDZJPKDI-WOJBJXKFSA-N 2 0 373.545 1.757 20 30 FDEDRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000304496193 1010226189 /nfs/dbraw/zinc/22/61/89/1010226189.db2.gz NQBFDPNAOITJOR-IRXDYDNUSA-N 2 0 373.501 1.357 20 30 FDEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000304823826 1010498158 /nfs/dbraw/zinc/49/81/58/1010498158.db2.gz FENFMMJEEKTEFO-GOSISDBHSA-N 2 0 365.497 1.619 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1cccc(C#N)c1 ZINC000057718429 211977614 /nfs/dbraw/zinc/97/76/14/211977614.db2.gz UXVCLASCVJAUBN-UHFFFAOYSA-N 2 0 352.504 1.452 20 30 FDEDRP Cc1cc(C#N)cnc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000550315476 543066770 /nfs/dbraw/zinc/06/67/70/543066770.db2.gz MFZUSEFFNFHFKT-UHFFFAOYSA-N 2 0 364.453 1.599 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000553330238 543610891 /nfs/dbraw/zinc/61/08/91/543610891.db2.gz BEWMTXZKOVBXSA-IAGOWNOFSA-N 2 0 364.534 1.522 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C)C(C)C ZINC000556205648 544117578 /nfs/dbraw/zinc/11/75/78/544117578.db2.gz GKSOMEBRZWGLJW-ZWKOTPCHSA-N 2 0 364.534 1.354 20 30 FDEDRP CC[NH+]1CCN(CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CC1 ZINC000073107999 522469124 /nfs/dbraw/zinc/46/91/24/522469124.db2.gz KBBXGLQSQAAZSP-UHFFFAOYSA-N 2 0 357.502 1.086 20 30 FDEDRP CC1CCN(C(=[NH2+])NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC1 ZINC000079382790 523741481 /nfs/dbraw/zinc/74/14/81/523741481.db2.gz CNIGUNHJLZDEGA-UHFFFAOYSA-N 2 0 351.539 1.660 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000174776251 524734510 /nfs/dbraw/zinc/73/45/10/524734510.db2.gz KHKKMPUXRWONJD-UHFFFAOYSA-N 2 0 364.534 1.923 20 30 FDEDRP C[C@@H]1C[NH+](CCC2CC[NH+](CCC(=O)N(C)CCC#N)CC2)C[C@@H](C)O1 ZINC000092799856 524917723 /nfs/dbraw/zinc/91/77/23/524917723.db2.gz AUMAKIDIANJVOY-QZTJIDSGSA-N 2 0 364.534 1.960 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000104181741 525398538 /nfs/dbraw/zinc/39/85/38/525398538.db2.gz YUCIXJSTFBSLNN-PMACEKPBSA-N 3 0 357.546 1.940 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)CC1 ZINC000154911299 525679667 /nfs/dbraw/zinc/67/96/67/525679667.db2.gz XPDFUYXFOOZFIW-UHFFFAOYSA-N 2 0 356.470 1.838 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)CC1 ZINC000106340698 525697005 /nfs/dbraw/zinc/69/70/05/525697005.db2.gz MJCLKAVALOIWSJ-QGZVFWFLSA-N 2 0 364.534 1.922 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NCc1ccccc1C[NH+]1CCCC1 ZINC000170908976 525765111 /nfs/dbraw/zinc/76/51/11/525765111.db2.gz YICLAVHHILQMPP-UHFFFAOYSA-N 2 0 359.518 1.280 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(CS(C)(=O)=O)c1 ZINC000170912449 525767212 /nfs/dbraw/zinc/76/72/12/525767212.db2.gz IMKYAXOWBZZMBH-INIZCTEOSA-N 2 0 352.504 1.120 20 30 FDEDRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)s1 ZINC000120411641 526054553 /nfs/dbraw/zinc/05/45/53/526054553.db2.gz DYNGYSSGNGIWKC-SFHVURJKSA-N 2 0 356.495 1.998 20 30 FDEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000156180806 526075667 /nfs/dbraw/zinc/07/56/67/526075667.db2.gz GDSHUXWTBWEFGT-CQSZACIVSA-N 2 0 351.445 1.614 20 30 FDEDRP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000293420969 537450975 /nfs/dbraw/zinc/45/09/75/537450975.db2.gz PZVYERWRYHHNIF-UHFFFAOYSA-N 2 0 370.497 1.682 20 30 FDEDRP C#CC[N@H+](C)CCCNC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000296516063 537714865 /nfs/dbraw/zinc/71/48/65/537714865.db2.gz ZSODGULUKRAQCA-UHFFFAOYSA-N 2 0 371.529 1.188 20 30 FDEDRP C#CCC[NH+]1CCC(NC(=O)C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000369755684 538060277 /nfs/dbraw/zinc/06/02/77/538060277.db2.gz ACGFIMKSTKWFLI-UHFFFAOYSA-N 2 0 354.498 1.898 20 30 FDEDRP CC[NH+]1CCC(N2CCCN(CC(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000565296990 547295240 /nfs/dbraw/zinc/29/52/40/547295240.db2.gz CHOVVUYRWNILRW-UHFFFAOYSA-N 2 0 369.513 1.989 20 30 FDEDRP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@H]3CNc4c(C#N)cnn4C3)CC2)C[C@H](C)O1 ZINC000568090196 548394026 /nfs/dbraw/zinc/39/40/26/548394026.db2.gz WYLRBRMFOYENGN-SOLBZPMBSA-N 2 0 372.517 1.618 20 30 FDEDRP C=CCOc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000577267922 550638277 /nfs/dbraw/zinc/63/82/77/550638277.db2.gz SPJZRCGHHXSMBP-MOPGFXCFSA-N 2 0 370.497 1.972 20 30 FDEDRP N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000591359152 551865862 /nfs/dbraw/zinc/86/58/62/551865862.db2.gz QTDSBARWWUKFKH-IBGZPJMESA-N 2 0 355.486 1.775 20 30 FDEDRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@H](O)COc3ccc(CC#N)cc3)C2)CC1 ZINC000591736985 551905191 /nfs/dbraw/zinc/90/51/91/551905191.db2.gz ZIFRZAMJKOBBAH-ICSRJNTNSA-N 2 0 372.513 1.250 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)c1 ZINC000593716123 552181081 /nfs/dbraw/zinc/18/10/81/552181081.db2.gz PVCYTTSDRHWHDK-LPHOPBHVSA-N 2 0 355.486 1.949 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCC(C[NH3+])CC3)CC2)c1 ZINC000593719512 552182055 /nfs/dbraw/zinc/18/20/55/552182055.db2.gz FDTDRGYMRKBPCO-UHFFFAOYSA-N 2 0 355.486 1.903 20 30 FDEDRP CN1CC[N@H+](CCCNC(=O)[C@@H]([NH3+])CCCCC#N)[C@@H](c2ccccc2)C1 ZINC000594439718 552311226 /nfs/dbraw/zinc/31/12/26/552311226.db2.gz UNCOPWORDADFLJ-VQTJNVASSA-N 2 0 371.529 1.893 20 30 FDEDRP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000594449871 552312687 /nfs/dbraw/zinc/31/26/87/552312687.db2.gz PNXGBEXXYSYWSQ-MRXNPFEDSA-N 2 0 359.474 1.320 20 30 FDEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000594450033 552312884 /nfs/dbraw/zinc/31/28/84/552312884.db2.gz RHJHZIUFAPLOIP-GOSISDBHSA-N 3 0 357.502 1.507 20 30 FDEDRP C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000594804429 552391451 /nfs/dbraw/zinc/39/14/51/552391451.db2.gz ZLZUJUNPFNCWRD-ZDUSSCGKSA-N 2 0 372.922 1.762 20 30 FDEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000595269365 552508571 /nfs/dbraw/zinc/50/85/71/552508571.db2.gz PHDWSOFWCZZJDJ-XOKHGSTOSA-N 2 0 350.413 1.938 20 30 FDEDRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598727238 552928518 /nfs/dbraw/zinc/92/85/18/552928518.db2.gz VVMNJKSZHAQCRX-INIZCTEOSA-N 2 0 352.523 1.503 20 30 FDEDRP CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000598728930 552928607 /nfs/dbraw/zinc/92/86/07/552928607.db2.gz XMEHEGVUVVCXFU-IBGZPJMESA-N 2 0 372.513 1.774 20 30 FDEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)[C@H](C)C1 ZINC000599373045 553039078 /nfs/dbraw/zinc/03/90/78/553039078.db2.gz RQVCCRPVEDJPEF-QYZOEREBSA-N 2 0 367.534 1.784 20 30 FDEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000600999667 553337905 /nfs/dbraw/zinc/33/79/05/553337905.db2.gz DPZOOYUAUGHQDK-UHFFFAOYSA-N 2 0 368.485 1.520 20 30 FDEDRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000602520651 553597451 /nfs/dbraw/zinc/59/74/51/553597451.db2.gz KPTQCQRBWFJORK-ICSRJNTNSA-N 2 0 356.470 1.406 20 30 FDEDRP CO[C@H]1C[NH2+][C@](C)(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000602520652 553597612 /nfs/dbraw/zinc/59/76/12/553597612.db2.gz KPTQCQRBWFJORK-QUCCMNQESA-N 2 0 356.470 1.406 20 30 FDEDRP CN(CC(=O)NC1(C#N)CCC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000615231868 555177024 /nfs/dbraw/zinc/17/70/24/555177024.db2.gz IVNIBDDYKDQKGF-FQEVSTJZSA-N 2 0 356.470 1.118 20 30 FDEDRP C[C@H](CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)[N@H+](C)C1CC1 ZINC000089120788 671491972 /nfs/dbraw/zinc/49/19/72/671491972.db2.gz VGGWQIWNUSIGIT-HIFRSBDPSA-N 2 0 351.495 1.350 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1cc(OC)cc(OC)c1 ZINC000123578487 671727827 /nfs/dbraw/zinc/72/78/27/671727827.db2.gz MZRQLUYLLGFIPJ-CQSZACIVSA-N 2 0 350.463 1.471 20 30 FDEDRP C[NH+]=C(NCC[NH+]1CCCC1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000179211266 672156157 /nfs/dbraw/zinc/15/61/57/672156157.db2.gz MBQQIBSMFSODOQ-CQSZACIVSA-N 2 0 350.898 1.575 20 30 FDEDRP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261747429 672664037 /nfs/dbraw/zinc/66/40/37/672664037.db2.gz NCXKSITVFJENIU-CVEARBPZSA-N 2 0 352.523 1.610 20 30 FDEDRP C[NH+]=C(NCC(C)(C)[NH+]1CCC(OC)CC1)N1CC[C@]2(CCOC2)C1 ZINC000261955147 672701175 /nfs/dbraw/zinc/70/11/75/672701175.db2.gz INIJXNYZXIFPJP-IBGZPJMESA-N 2 0 352.523 1.564 20 30 FDEDRP CC[NH+]=C(NCCN1CCOC[C@@H]1C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262434949 672789282 /nfs/dbraw/zinc/78/92/82/672789282.db2.gz FZVTZFMQFKRTEU-ZWKOTPCHSA-N 2 0 351.539 1.233 20 30 FDEDRP C=CCNC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262442582 672790505 /nfs/dbraw/zinc/79/05/05/672790505.db2.gz UTUUOUFYBIPFBS-MGNMYUMUSA-N 2 0 368.547 1.158 20 30 FDEDRP C=C[C@@H](CO)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000290002473 676186624 /nfs/dbraw/zinc/18/66/24/676186624.db2.gz ZFXRSZJIYJVFGJ-HOCLYGCPSA-N 2 0 355.504 1.114 20 30 FDEDRP CC[NH+]1CCN(Cc2ccccc2CNC(=[NH2+])N2CCSCC2)CC1 ZINC000303882537 676543441 /nfs/dbraw/zinc/54/34/41/676543441.db2.gz IEAUAGGUEFJKET-UHFFFAOYSA-N 2 0 361.559 1.688 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000304750310 676544350 /nfs/dbraw/zinc/54/43/50/676544350.db2.gz IGGBUDXKVVKEFI-HUUCEWRRSA-N 2 0 355.527 1.924 20 30 FDEDRP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1=CC[N@H+](C)CC1 ZINC000329333705 676633612 /nfs/dbraw/zinc/63/36/12/676633612.db2.gz KKHDVYHATCTFFK-BMGDILEWSA-N 2 0 350.507 1.518 20 30 FDEDRP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000330446541 676691188 /nfs/dbraw/zinc/69/11/88/676691188.db2.gz XUZYCBBKXVCALY-IXDOHACOSA-N 2 0 350.507 1.568 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000371547994 677723712 /nfs/dbraw/zinc/72/37/12/677723712.db2.gz DSEYOVXXPFTAFL-MSOLQXFVSA-N 2 0 350.507 1.268 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)C(C)C ZINC000419574640 680281052 /nfs/dbraw/zinc/28/10/52/680281052.db2.gz VCLLXAMGNGOIOF-DLBZAZTESA-N 2 0 350.507 1.060 20 30 FDEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]21 ZINC001083193227 771089280 /nfs/dbraw/zinc/08/92/80/771089280.db2.gz HLYKJWRVIONFFI-FFZOFVMBSA-N 2 0 368.481 1.454 20 30 FDEDRP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001104256576 772447908 /nfs/dbraw/zinc/44/79/08/772447908.db2.gz GBDNFMCXRRUHQN-KZNAEPCWSA-N 2 0 357.514 1.943 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+](C)C)C2 ZINC001112519672 783842053 /nfs/dbraw/zinc/84/20/53/783842053.db2.gz UJTAZDOPYOXJCY-UWVAXJGDSA-N 2 0 364.534 1.237 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001104812055 793827289 /nfs/dbraw/zinc/82/72/89/793827289.db2.gz KUMNSQDTEVOJGK-BRWVUGGUSA-N 2 0 352.523 1.093 20 30 FDEDRP C[C@]1(CNC(=[NH2+])NCCCN2CCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000162456662 795346699 /nfs/dbraw/zinc/34/66/99/795346699.db2.gz UTTGRTNWEUPUTJ-OAQYLSRUSA-N 2 0 373.545 1.668 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cc(C#N)ccc3F)C2)CC[N@@H+]1C ZINC001026853936 800031237 /nfs/dbraw/zinc/03/12/37/800031237.db2.gz WBAUQWPKDPDLER-QGPMSJSTSA-N 2 0 358.461 1.976 20 30 FDEDRP COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001028549861 810619115 /nfs/dbraw/zinc/61/91/15/810619115.db2.gz BVYSJTHOBBAFOQ-SZVBFZGTSA-N 2 0 370.497 1.845 20 30 FDEDRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(F)c(C#N)c3)C2)CC[N@@H+]1C ZINC001028549944 810619433 /nfs/dbraw/zinc/61/94/33/810619433.db2.gz CMUNLUUIZQKFJP-UWWQBHOKSA-N 2 0 358.461 1.976 20 30 FDEDRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(OCC#N)cc3)C2)CC[N@@H+]1C ZINC001028550234 810620382 /nfs/dbraw/zinc/62/03/82/810620382.db2.gz LIJJZCNSKCJFDZ-YVWKXTFCSA-N 2 0 370.497 1.867 20 30 FDEDRP C[NH+]=C(NCc1nncn1-c1ccccc1)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261693030 811299147 /nfs/dbraw/zinc/29/91/47/811299147.db2.gz FIEOUEGAYIPJBK-PBHICJAKSA-N 2 0 353.474 1.415 20 30 FDEDRP C[NH+]=C(NCC(=O)N1CCc2ccccc21)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261933297 811346708 /nfs/dbraw/zinc/34/67/08/811346708.db2.gz BWBPBAXNIZFAAY-PBHICJAKSA-N 2 0 355.486 1.223 20 30 FDEDRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C[C@H]1C ZINC000330823851 819644480 /nfs/dbraw/zinc/64/44/80/819644480.db2.gz DXCMMVZCMSHTFR-CABCVRRESA-N 2 0 366.481 1.688 20 30 FDEDRP C#CC[NH+]1CCC(Nc2nc(C)nc(NC3CC[NH+](CC#C)CC3)n2)CC1 ZINC000895808921 822747855 /nfs/dbraw/zinc/74/78/55/822747855.db2.gz XAMCNBHGYPAZQD-UHFFFAOYSA-N 2 0 367.501 1.199 20 30 FDEDRP CN(C)C(=O)CNC(=[NH+]C1CCCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262254755 823986612 /nfs/dbraw/zinc/98/66/12/823986612.db2.gz CNPXOFFXWVIJHN-KRWDZBQOSA-N 2 0 363.550 1.771 20 30 FDEDRP C[N@@H+]1CC[C@]2(CCN(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)C2)C1 ZINC000330190568 825723162 /nfs/dbraw/zinc/72/31/62/825723162.db2.gz WGHHOORNEZHXIV-FQEVSTJZSA-N 2 0 357.502 1.988 20 30 FDEDRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330293909 825818568 /nfs/dbraw/zinc/81/85/68/825818568.db2.gz DYONKTGQMJMFFW-NCXUSEDFSA-N 2 0 364.534 1.837 20 30 FDEDRP C[NH+]=C(N[C@@H]1C[C@@](C)(OC)C1(C)C)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000262407291 826410692 /nfs/dbraw/zinc/41/06/92/826410692.db2.gz OUFAPUULAQGDOO-XAUMDUMWSA-N 2 0 366.550 1.856 20 30 FDEDRP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000528368860 829374381 /nfs/dbraw/zinc/37/43/81/829374381.db2.gz WPHVGOIZSSOZGK-FQEVSTJZSA-N 2 0 373.497 1.732 20 30 FDEDRP CCC[N@@H+]1CC[C@H](CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000305034519 830537921 /nfs/dbraw/zinc/53/79/21/830537921.db2.gz SCDMOQCZOKCORN-HZPDHXFCSA-N 2 0 365.522 1.599 20 30 FDEDRP CC[NH+]=C(NCc1nnc2n1CCCCC2)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261831894 837322945 /nfs/dbraw/zinc/32/29/45/837322945.db2.gz VOUHADSYNQTYLV-GDBMZVCRSA-N 2 0 359.522 1.542 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105660512 842546669 /nfs/dbraw/zinc/54/66/69/842546669.db2.gz VNDJXFRDOUVCSS-IZBJGVDFSA-N 2 0 351.535 1.870 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105660513 842552298 /nfs/dbraw/zinc/55/22/98/842552298.db2.gz VNDJXFRDOUVCSS-JYBIWHBTSA-N 2 0 351.535 1.870 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105660801 842579128 /nfs/dbraw/zinc/57/91/28/842579128.db2.gz YOUDWAYURBTBEK-ANTGDGSKSA-N 2 0 361.530 1.318 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000480979224 845996304 /nfs/dbraw/zinc/99/63/04/845996304.db2.gz LOKIPFHJJLFDFR-YESZJQIVSA-N 2 0 364.534 1.236 20 30 FDEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001106146315 871366778 /nfs/dbraw/zinc/36/67/78/871366778.db2.gz WLCKKAPTSBUQHJ-UKRRQHHQSA-N 2 0 353.898 1.495 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001106730585 877224654 /nfs/dbraw/zinc/22/46/54/877224654.db2.gz GSGNMKKPABOZCC-JFIYKMOQSA-N 2 0 364.534 1.093 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000917137574 883111950 /nfs/dbraw/zinc/11/19/50/883111950.db2.gz RUEOBQRYLONAGP-FTEYMNFISA-N 2 0 364.534 1.416 20 30 FDEDRP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@@H](n2ccnn2)C1 ZINC001129032769 885368743 /nfs/dbraw/zinc/36/87/43/885368743.db2.gz TZHMACHPQHLSKX-SQNIBIBYSA-N 2 0 360.506 1.460 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000923393583 889106983 /nfs/dbraw/zinc/10/69/83/889106983.db2.gz TWMYSTZBMCSHGC-XFKSJGNHSA-N 2 0 359.470 1.659 20 30 FDEDRP N#Cc1ccc(OC[C@@H](O)CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc1 ZINC000923431302 889230636 /nfs/dbraw/zinc/23/06/36/889230636.db2.gz OGLFGVLWLMYKFO-ZCNNSNEGSA-N 2 0 370.497 1.199 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](CC)c3ccccc3)C[C@@H]2O)CC1 ZINC001084088018 913360486 /nfs/dbraw/zinc/36/04/86/913360486.db2.gz MFHBDFSILQVMFP-HKBOAZHASA-N 2 0 369.509 1.644 20 30 FDEDRP C#CCN1CCC[C@@H](NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000923585595 890015433 /nfs/dbraw/zinc/01/54/33/890015433.db2.gz LOGONDYCIMXRBJ-OAQYLSRUSA-N 2 0 369.509 1.718 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CC[C@@H]3CCOC3)[C@H](C)C2)CC1 ZINC001107034275 899825563 /nfs/dbraw/zinc/82/55/63/899825563.db2.gz SXCHPOHIKOMTPW-QWFCFKBJSA-N 2 0 361.530 1.442 20 30 FDEDRP C=CCN1CC[C@H]([N@H+]2CC[C@@]3(CNC(=O)CC[NH+](C)C)CCC[C@@H]23)C1=O ZINC001107530828 905441913 /nfs/dbraw/zinc/44/19/13/905441913.db2.gz OFFJXEHUFVZEGL-SQGPQFPESA-N 2 0 362.518 1.086 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@H]2C)CC1 ZINC001080998082 906973946 /nfs/dbraw/zinc/97/39/46/906973946.db2.gz RMJZTXAZFFZEBG-WSTZPKSXSA-N 2 0 361.530 1.585 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC3CCCC3)C[C@H]2OC)CC1 ZINC001082383466 907378442 /nfs/dbraw/zinc/37/84/42/907378442.db2.gz YUYNKHIQBBZZNV-WOJBJXKFSA-N 2 0 361.530 1.727 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1ccccc1C#N ZINC001082515105 908182825 /nfs/dbraw/zinc/18/28/25/908182825.db2.gz AIHFBOKDHPZOAI-CDHQVMDDSA-N 2 0 352.482 1.837 20 30 FDEDRP C[NH+](C)CCOc1ccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1 ZINC000733332841 920988444 /nfs/dbraw/zinc/98/84/44/920988444.db2.gz DCUYUGDWZKDQNR-VHEBQXMUSA-N 2 0 358.442 1.243 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnc(C)o2)CC1 ZINC001085432974 924681482 /nfs/dbraw/zinc/68/14/82/924681482.db2.gz ZSLJTXWVGXKVLV-RTBURBONSA-N 2 0 358.486 1.845 20 30 FDEDRP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001086600379 934082090 /nfs/dbraw/zinc/08/20/90/934082090.db2.gz PUFJILDCLVLHCB-LBQNXCCASA-N 2 0 367.493 1.620 20 30 FDEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129397537 938403343 /nfs/dbraw/zinc/40/33/43/938403343.db2.gz UWGQJQUOPHUOAF-KURKYZTESA-N 2 0 362.522 1.706 20 30 FDEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433857 938423983 /nfs/dbraw/zinc/42/39/83/938423983.db2.gz WDYRRRBNFGQMFF-KURKYZTESA-N 2 0 362.522 1.542 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129837583 938535065 /nfs/dbraw/zinc/53/50/65/938535065.db2.gz GEGAQSZMAHDTFR-SQNIBIBYSA-N 2 0 360.506 1.459 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1c1cn(C)cn1 ZINC001130596978 939904012 /nfs/dbraw/zinc/90/40/12/939904012.db2.gz WWJHRZKCZCZTFW-WSTZPKSXSA-N 2 0 371.529 1.612 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130610606 939908054 /nfs/dbraw/zinc/90/80/54/939908054.db2.gz NLHMLISUAPFFDH-ZIFCJYIRSA-N 2 0 359.518 1.755 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1c1cn(C)cn1 ZINC001130605203 939916751 /nfs/dbraw/zinc/91/67/51/939916751.db2.gz YXGACQGQDIVBCQ-QXAKKESOSA-N 2 0 357.502 1.202 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130687580 939977112 /nfs/dbraw/zinc/97/71/12/939977112.db2.gz HASSQROURBBHAS-SXLOBPIMSA-N 2 0 371.529 1.590 20 30 FDEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cn(C)cn1 ZINC001130712705 939999530 /nfs/dbraw/zinc/99/95/30/939999530.db2.gz IBSMOXVDHXGMMB-JENIJYKNSA-N 2 0 371.529 1.755 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001131108273 940502761 /nfs/dbraw/zinc/50/27/61/940502761.db2.gz OKRFXRNOHUNVAF-RCCFBDPRSA-N 2 0 359.518 1.612 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CC1 ZINC000747563526 940850405 /nfs/dbraw/zinc/85/04/05/940850405.db2.gz WJUUUSUEWMIBCU-UHFFFAOYSA-N 2 0 359.474 1.619 20 30 FDEDRP C#CCC[NH+]1CCC(NC(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001136962093 946854706 /nfs/dbraw/zinc/85/47/06/946854706.db2.gz AKPHVHQDWZACGK-QFIPXVFZSA-N 2 0 369.509 1.617 20 30 FDEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001196185294 971498089 /nfs/dbraw/zinc/49/80/89/971498089.db2.gz USNJCLIVTOTUEU-NSISKUIASA-N 2 0 359.514 1.920 20 30 FDEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)[C@H](C)C1 ZINC000772981443 952410360 /nfs/dbraw/zinc/41/03/60/952410360.db2.gz DFORHVLKEBSVAV-WMEZAZGNSA-N 2 0 364.490 1.239 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC[C@@H]3CCCO3)C2)CC1 ZINC001086882371 952913956 /nfs/dbraw/zinc/91/39/56/952913956.db2.gz NYRXGMQRTRVLNF-SXLOBPIMSA-N 2 0 361.530 1.775 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C)no3)C2)CC1 ZINC001086882498 952914246 /nfs/dbraw/zinc/91/42/46/952914246.db2.gz SVWJFNLAYSMXRV-FUHWJXTLSA-N 2 0 358.486 1.703 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(C)ncn3)C2)CC1 ZINC001086882408 952914332 /nfs/dbraw/zinc/91/43/32/952914332.db2.gz PRKBFLJSLUIIFY-PKOBYXMFSA-N 2 0 369.513 1.505 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001086983040 952996626 /nfs/dbraw/zinc/99/66/26/952996626.db2.gz SPNWDQURDGIYAU-GBESFXJTSA-N 2 0 359.518 1.755 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1c1cnn(C)c1 ZINC001087002153 953056910 /nfs/dbraw/zinc/05/69/10/953056910.db2.gz KSZQKQZREKUYID-VQTJNVASSA-N 2 0 367.497 1.866 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1c1cnn(C)c1 ZINC001087006402 953090178 /nfs/dbraw/zinc/09/01/78/953090178.db2.gz ZPUVZBLKBCIYOL-ZWKOTPCHSA-N 2 0 368.485 1.655 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4ocnc4C)C[C@@]3(C)C2)CC1 ZINC001092299959 954747482 /nfs/dbraw/zinc/74/74/82/954747482.db2.gz KVPFQRJVBOMTDX-NQIIRXRSSA-N 2 0 370.497 1.609 20 30 FDEDRP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@H]2C(C)C)C[C@H]1O ZINC001093468350 958218828 /nfs/dbraw/zinc/21/88/28/958218828.db2.gz ZGSUXCLREAZCHX-PLOVASNDSA-N 2 0 363.546 1.870 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@]3(C[C@@H](O)[C@H]([NH2+]CC)C3)[C@@H]2C(C)C)CC1 ZINC001093480781 958305204 /nfs/dbraw/zinc/30/52/04/958305204.db2.gz OPDVTORUWICRPU-WERVVEIQSA-N 2 0 361.530 1.318 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCCC)CC1 ZINC001110152387 959418945 /nfs/dbraw/zinc/41/89/45/959418945.db2.gz REWLCVRPHCZNBT-AABGKKOBSA-N 2 0 361.530 1.870 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001094220886 960044897 /nfs/dbraw/zinc/04/48/97/960044897.db2.gz BJXLBGRWDLJEDH-UWWQBHOKSA-N 2 0 358.461 1.833 20 30 FDEDRP C[NH+]1CCC(O)(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001182036804 961357287 /nfs/dbraw/zinc/35/72/87/961357287.db2.gz YRASRCWGBXNGBH-UHFFFAOYSA-N 2 0 356.470 1.118 20 30 FDEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](Cc3ccc(OC)c(C#N)c3)C[C@H]21 ZINC001189659727 967169306 /nfs/dbraw/zinc/16/93/06/967169306.db2.gz FMQZDVGAEOGLKY-PKOBYXMFSA-N 2 0 370.497 1.941 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000855404829 970338554 /nfs/dbraw/zinc/33/85/54/970338554.db2.gz XPNQIAIUGMTKCJ-FQEVSTJZSA-N 2 0 355.482 1.215 20 30 FDEDRP C=CCN(CC=C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200645049 974870007 /nfs/dbraw/zinc/87/00/07/974870007.db2.gz YNOILBUVWYYHIK-SJLPKXTDSA-N 2 0 362.518 1.108 20 30 FDEDRP CCC[N@@H+]1CCC[C@H]1CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000849050935 977293934 /nfs/dbraw/zinc/29/39/34/977293934.db2.gz PCXOMWTYKGXYHW-JKSUJKDBSA-N 2 0 365.522 1.741 20 30 FDEDRP C=CCC[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000883227999 982023295 /nfs/dbraw/zinc/02/32/95/982023295.db2.gz CSLBWFCXAZVQKQ-RTBURBONSA-N 2 0 351.535 1.886 20 30 FDEDRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884206620 982982709 /nfs/dbraw/zinc/98/27/09/982982709.db2.gz ZRBFYLWGVOQXSF-SSZRJXQFSA-N 2 0 373.545 1.143 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000332141491 983001483 /nfs/dbraw/zinc/00/14/83/983001483.db2.gz KRKUSILJWBLMRB-FUHWJXTLSA-N 2 0 362.518 1.086 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC([NH3+])(CC)CC1)C(C)C ZINC000884614411 983277890 /nfs/dbraw/zinc/27/78/90/983277890.db2.gz MEIJAJFGARVUJX-KRWDZBQOSA-N 2 0 364.534 1.531 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)C(C)C ZINC000884614468 983277965 /nfs/dbraw/zinc/27/79/65/983277965.db2.gz NURXNYGPBBLQAK-OKZBNKHCSA-N 2 0 362.518 1.154 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884643215 984650612 /nfs/dbraw/zinc/65/06/12/984650612.db2.gz ZRHIBBPVPWIFBS-INIZCTEOSA-N 2 0 350.507 1.038 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)C[C@H]1C[NH+](C)C ZINC000870019786 985524205 /nfs/dbraw/zinc/52/42/05/985524205.db2.gz PXXLYVOXXAJMET-QZTJIDSGSA-N 2 0 354.498 1.788 20 30 FDEDRP C[NH+](C)CCCN(CCC#N)C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000363296938 989069717 /nfs/dbraw/zinc/06/97/17/989069717.db2.gz HJXGHDTVBJEYHH-UHFFFAOYSA-N 2 0 360.506 1.677 20 30 FDEDRP COCCC[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876750144 992869699 /nfs/dbraw/zinc/86/96/99/992869699.db2.gz FBDJCNLOMCKVEQ-LJQANCHMSA-N 2 0 356.470 1.362 20 30 FDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000876846926 992936027 /nfs/dbraw/zinc/93/60/27/992936027.db2.gz GDYMDWJWALOASD-INIZCTEOSA-N 2 0 370.925 1.297 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000876973992 992991273 /nfs/dbraw/zinc/99/12/73/992991273.db2.gz UWCGMBWSOJXGHU-PKOBYXMFSA-N 2 0 354.454 1.115 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877357570 993243474 /nfs/dbraw/zinc/24/34/74/993243474.db2.gz XYQIDXRIFBTAMX-YUELXQCFSA-N 2 0 352.360 1.341 20 30 FDEDRP C=CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1OC ZINC000469988659 993926554 /nfs/dbraw/zinc/92/65/54/993926554.db2.gz DDQDAWVKEQSOFY-SFHVURJKSA-N 2 0 373.497 1.904 20 30 FDEDRP COCC[N@H+](C[C@@H](O)COc1ccccc1C#N)CC1CC[NH+](C)CC1 ZINC000879126642 994561327 /nfs/dbraw/zinc/56/13/27/994561327.db2.gz LYIJPAXHCHKUPL-LJQANCHMSA-N 2 0 361.486 1.588 20 30 FDEDRP C[C@@H]1[C@@H](NC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC000925324812 995495123 /nfs/dbraw/zinc/49/51/23/995495123.db2.gz ZJTSOFRHWZZJPO-APWZRJJASA-N 2 0 355.486 1.868 20 30 FDEDRP N#Cc1cccc(CN2CCC([NH2+][C@H]3[C@@H]4COC[C@H]3C[C@@H]([NH3+])C4)CC2)c1 ZINC000925701909 995730145 /nfs/dbraw/zinc/73/01/45/995730145.db2.gz IBRFVUYQMJVWIB-YUNDZKQISA-N 2 0 354.498 1.865 20 30 FDEDRP CC[NH+](CC)CCOc1ccc(CNC(=[NH2+])N[C@H](C)COC)cc1OC ZINC000264127208 997407194 /nfs/dbraw/zinc/40/71/94/997407194.db2.gz WVHDYLAYCWKKQS-OAHLLOKOSA-N 2 0 366.506 1.855 20 30 FDEDRP COCCNC(=[NH2+])NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000264314202 997458108 /nfs/dbraw/zinc/45/81/08/997458108.db2.gz VONZBSMVPQJMFB-UHFFFAOYSA-N 2 0 364.490 1.227 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)C(C)C ZINC000264397840 997494904 /nfs/dbraw/zinc/49/49/04/997494904.db2.gz LOABVXDNCKRABQ-OALUTQOASA-N 2 0 365.566 1.620 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccncc1OC[C@@H]1CCOC1 ZINC000287012964 999953982 /nfs/dbraw/zinc/95/39/82/999953982.db2.gz FWMCPPLLEXFEIY-WBVHZDCISA-N 2 0 361.490 1.386 20 30 FDEDRP C[NH+]1C[C@@]2(C)CN(CC#CCN3C[C@@]4(C)C[NH+](C)C[C@]4(C)C3)C[C@]2(C)C1 ZINC000931313347 1004047531 /nfs/dbraw/zinc/04/75/31/1004047531.db2.gz BABBWXPNARCSEM-URSFVKLHSA-N 2 0 358.574 1.537 20 30 FDEDRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(Cc4cc(F)ccc4C#N)C[C@H]32)CC[N@@H+]1C ZINC000959963801 1009215376 /nfs/dbraw/zinc/21/53/76/1009215376.db2.gz FJNZQCNOEAVKOS-CENDIDJXSA-N 2 0 370.472 1.974 20 30 FDEDRP [NH2+]=C(NCCC[NH+]1CCC(O)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000303892652 1009679217 /nfs/dbraw/zinc/67/92/17/1009679217.db2.gz NVASLANNXIURJQ-UHFFFAOYSA-N 2 0 363.481 1.109 20 30 FDEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000304836618 1010498515 /nfs/dbraw/zinc/49/85/15/1010498515.db2.gz NVXZPNPNUXOIQH-HNNXBMFYSA-N 2 0 371.526 1.211 20 30 FDEDRP Cc1cccc(N2CC[NH+](CCCCNC(=[NH2+])NC[C@@H]3CCCO3)CC2)c1 ZINC000195522368 1011766305 /nfs/dbraw/zinc/76/63/05/1011766305.db2.gz WGXXNAPDQISNFO-FQEVSTJZSA-N 2 0 373.545 1.981 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000553396144 543625885 /nfs/dbraw/zinc/62/58/85/543625885.db2.gz WLWMRODVWMOYRV-KRWDZBQOSA-N 2 0 364.534 1.524 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000553669663 543677789 /nfs/dbraw/zinc/67/77/89/543677789.db2.gz YXYAIVLGOQPPHV-GOSISDBHSA-N 2 0 362.518 1.230 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccncc2OCC[NH+](C)C)CC1 ZINC000554702100 543855618 /nfs/dbraw/zinc/85/56/18/543855618.db2.gz QEFOBHVYZCIPMY-UHFFFAOYSA-N 2 0 361.490 1.472 20 30 FDEDRP N#Cc1cccc(NC(=O)CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000069030539 521785060 /nfs/dbraw/zinc/78/50/60/521785060.db2.gz LLGZFEKNTLQCHQ-UHFFFAOYSA-N 2 0 356.470 1.931 20 30 FDEDRP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])N[C@H]2CCOc3ccccc32)CC1 ZINC000083032520 524234224 /nfs/dbraw/zinc/23/42/24/524234224.db2.gz OWWJHZHKFKCFTP-WMZOPIPTSA-N 2 0 359.518 1.688 20 30 FDEDRP CC(C)(C)OC(=O)N1CCN2C(NCCC[NH+]3CCCC3)=[NH+]C[C@H]2C1 ZINC000089120177 524477628 /nfs/dbraw/zinc/47/76/28/524477628.db2.gz FEZYJOIXYHRRJD-HNNXBMFYSA-N 2 0 351.495 1.353 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)CC1 ZINC000106275435 525686353 /nfs/dbraw/zinc/68/63/53/525686353.db2.gz ANPDKAKGJYBWJP-UHFFFAOYSA-N 2 0 373.501 1.962 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000171707948 526087525 /nfs/dbraw/zinc/08/75/25/526087525.db2.gz VHJJFWTXZMWHQO-GOSISDBHSA-N 2 0 351.539 1.208 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000171978169 526196359 /nfs/dbraw/zinc/19/63/59/526196359.db2.gz WRGMEOJUJTWIBN-KRWDZBQOSA-N 2 0 350.507 1.391 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000183762542 536045473 /nfs/dbraw/zinc/04/54/73/536045473.db2.gz LEXKWRNGXIHZTL-FQEVSTJZSA-N 2 0 355.482 1.215 20 30 FDEDRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000264297479 537140604 /nfs/dbraw/zinc/14/06/04/537140604.db2.gz QVOBAYOUCSGINM-SFHVURJKSA-N 2 0 357.502 1.845 20 30 FDEDRP C=CCN1CC[C@H]([N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)C1=O ZINC000369187619 538002808 /nfs/dbraw/zinc/00/28/08/538002808.db2.gz IVTRSXHEDFENFS-FQEVSTJZSA-N 2 0 362.562 1.901 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CC1 ZINC000370698754 538091199 /nfs/dbraw/zinc/09/11/99/538091199.db2.gz OREIOKUJDMBFLP-PMACEKPBSA-N 2 0 354.498 1.878 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2CC)CC1 ZINC000561413802 545837820 /nfs/dbraw/zinc/83/78/20/545837820.db2.gz JLONZMKXOAUTJL-GOSISDBHSA-N 2 0 364.534 1.524 20 30 FDEDRP C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)CC1 ZINC000565715288 547453259 /nfs/dbraw/zinc/45/32/59/547453259.db2.gz UFGVCWHOCWPQAT-QGZVFWFLSA-N 2 0 372.473 1.862 20 30 FDEDRP CC(C)[C@@H](C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)N1CC[NH+](C)CC1 ZINC000568501753 548562975 /nfs/dbraw/zinc/56/29/75/548562975.db2.gz BUMBYZCVMHQFRX-AZUAARDMSA-N 2 0 360.502 1.160 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000569921200 549094932 /nfs/dbraw/zinc/09/49/32/549094932.db2.gz OIRKPMJSHMRHQC-PKOBYXMFSA-N 2 0 359.470 1.388 20 30 FDEDRP N#CC[C@@]1(O)CC[NH+](Cc2ccc(C[N@H+]3CC[C@](O)(CC#N)C3)cc2)C1 ZINC000592149592 551950277 /nfs/dbraw/zinc/95/02/77/551950277.db2.gz RUWPGXRHIZFOIA-WOJBJXKFSA-N 2 0 354.454 1.388 20 30 FDEDRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598727239 552928476 /nfs/dbraw/zinc/92/84/76/552928476.db2.gz VVMNJKSZHAQCRX-MRXNPFEDSA-N 2 0 352.523 1.503 20 30 FDEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599306750 553021792 /nfs/dbraw/zinc/02/17/92/553021792.db2.gz CZXDWEBVNQETEW-ZWKOTPCHSA-N 2 0 353.507 1.490 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)NCCOCCC[NH3+])CC2)c1 ZINC000599921657 553174689 /nfs/dbraw/zinc/17/46/89/553174689.db2.gz AHVJPWPPIWXRLS-UHFFFAOYSA-N 2 0 359.474 1.187 20 30 FDEDRP N#CC1(C[C@H](O)C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000600722905 553307265 /nfs/dbraw/zinc/30/72/65/553307265.db2.gz RXHWTZHPFZJYQN-MOPGFXCFSA-N 2 0 370.497 1.528 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C1([S@@](C)=O)CC[NH2+]CC1)C(C)C ZINC000602471801 553588467 /nfs/dbraw/zinc/58/84/67/553588467.db2.gz IVQYVCVWUAWPAX-VOIUYBSRSA-N 2 0 355.548 1.302 20 30 FDEDRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000602520650 553597546 /nfs/dbraw/zinc/59/75/46/553597546.db2.gz KPTQCQRBWFJORK-AZUAARDMSA-N 2 0 356.470 1.406 20 30 FDEDRP C=C(CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000620748093 555978687 /nfs/dbraw/zinc/97/86/87/555978687.db2.gz LPXOHNCYYZCJRC-BRSBDYLESA-N 2 0 364.534 1.521 20 30 FDEDRP C=C(C)C[C@H]1NC(=O)N(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000630974817 557965481 /nfs/dbraw/zinc/96/54/81/557965481.db2.gz XSJUGWNNRGGFJD-QGZVFWFLSA-N 2 0 357.458 1.480 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089120024 671491542 /nfs/dbraw/zinc/49/15/42/671491542.db2.gz HCXCOLBTGWNJPD-CABCVRRESA-N 2 0 351.495 1.351 20 30 FDEDRP CCC[N@H+](CC)CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089120825 671491862 /nfs/dbraw/zinc/49/18/62/671491862.db2.gz ASWUSUOTKZJGSU-HNNXBMFYSA-N 2 0 353.511 1.599 20 30 FDEDRP C[NH+]=C(NCc1ccnc(N2CC[NH+](C)CC2)c1)NC[C@H]1CCCS1 ZINC000157443655 671969119 /nfs/dbraw/zinc/96/91/19/671969119.db2.gz XTYMNTBSEVUUIZ-MRXNPFEDSA-N 2 0 362.547 1.394 20 30 FDEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N(C)Cc1nc2c(s1)CCCC2 ZINC000261941183 672698308 /nfs/dbraw/zinc/69/83/08/672698308.db2.gz KNIZZGJSRYHDEP-CQSZACIVSA-N 2 0 362.547 1.029 20 30 FDEDRP C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000262793941 672850208 /nfs/dbraw/zinc/85/02/08/672850208.db2.gz OVCSBZGABALWAL-SJLPKXTDSA-N 2 0 353.580 1.417 20 30 FDEDRP C[NH+](C)Cc1cc(CNC(=[NH2+])NCCCN2CCOCC2)ccc1F ZINC000267466650 673307151 /nfs/dbraw/zinc/30/71/51/673307151.db2.gz WMIQCLDPIGLEAN-UHFFFAOYSA-N 2 0 351.470 1.014 20 30 FDEDRP C[C@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCCC1 ZINC000303869600 676543340 /nfs/dbraw/zinc/54/33/40/676543340.db2.gz DYXYXCXGHSDAST-OAHLLOKOSA-N 2 0 353.511 1.586 20 30 FDEDRP CN1CC[N@H+](CCCNC(=[NH2+])N2CCSCC2)[C@@H](c2ccccc2)C1 ZINC000303904990 676543676 /nfs/dbraw/zinc/54/36/76/676543676.db2.gz VHHMMJVUIDMYMZ-GOSISDBHSA-N 2 0 361.559 1.729 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000305718945 676545227 /nfs/dbraw/zinc/54/52/27/676545227.db2.gz HVSPVMCGJYADQJ-CABCVRRESA-N 2 0 353.511 1.678 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000369463332 677505584 /nfs/dbraw/zinc/50/55/84/677505584.db2.gz NZPZUUZLZYCVOY-MRXNPFEDSA-N 2 0 350.507 1.532 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)C(C)C ZINC000419574641 680281359 /nfs/dbraw/zinc/28/13/59/680281359.db2.gz VCLLXAMGNGOIOF-IAGOWNOFSA-N 2 0 350.507 1.060 20 30 FDEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc(C)on2)C1 ZINC001104306048 774438537 /nfs/dbraw/zinc/43/85/37/774438537.db2.gz IFVYJEKQWQDGHK-SUMDDJOVSA-N 2 0 358.486 1.655 20 30 FDEDRP C=C[C@H](CO)[NH2+]CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000662165378 806049188 /nfs/dbraw/zinc/04/91/88/806049188.db2.gz FHBZHOLLZFEFLF-MJGOQNOKSA-N 2 0 361.486 1.475 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)CC1 ZINC000364239999 795515815 /nfs/dbraw/zinc/51/58/15/795515815.db2.gz ABTWKCNWFPRWER-VQIMIIECSA-N 2 0 374.533 1.753 20 30 FDEDRP C=CCN1CC[C@@H]([NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)C1=O ZINC000662326721 806484090 /nfs/dbraw/zinc/48/40/90/806484090.db2.gz APPSCMNLRONVIC-LJQANCHMSA-N 2 0 357.502 1.843 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(OCC#N)cc3)C2)CC[N@@H+]1C ZINC001026852804 800006743 /nfs/dbraw/zinc/00/67/43/800006743.db2.gz QUQSOICVTCMIBO-IMFGXOCKSA-N 2 0 370.497 1.867 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(C#N)cc3F)C2)CC[N@@H+]1C ZINC001026853928 800031130 /nfs/dbraw/zinc/03/11/30/800031130.db2.gz VXLUCESZDWCZNU-QGPMSJSTSA-N 2 0 358.461 1.976 20 30 FDEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001211675433 805203171 /nfs/dbraw/zinc/20/31/71/805203171.db2.gz RAMLPISEQMEAAW-HLAWJBBLSA-N 2 0 369.509 1.562 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000664020347 810174474 /nfs/dbraw/zinc/17/44/74/810174474.db2.gz QWYJFAVYUOTFPF-FQEVSTJZSA-N 2 0 372.513 1.703 20 30 FDEDRP C[NH+]=C(NCc1cccnc1-n1ccnc1C)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262004585 811365277 /nfs/dbraw/zinc/36/52/77/811365277.db2.gz VGWRFSJVQDFTRC-KDOFPFPSSA-N 2 0 367.501 1.723 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+])C(C)C ZINC000419570037 812024149 /nfs/dbraw/zinc/02/41/49/812024149.db2.gz MZNQWUWEQMBYKM-KZNAEPCWSA-N 2 0 364.534 1.530 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])C(C)C ZINC000419572123 812026723 /nfs/dbraw/zinc/02/67/23/812026723.db2.gz QFMRDNQCVZRZLB-OKZBNKHCSA-N 2 0 364.534 1.387 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000419736401 812161826 /nfs/dbraw/zinc/16/18/26/812161826.db2.gz XHHDHHYFXNEGMD-FUHWJXTLSA-N 2 0 362.518 1.134 20 30 FDEDRP C=C(C)CN(CC)C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420197724 813531473 /nfs/dbraw/zinc/53/14/73/813531473.db2.gz BOTPWVBNTAREGL-UHFFFAOYSA-N 2 0 372.513 1.521 20 30 FDEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cccc(C#N)c3)CC[C@@H]2C1 ZINC001087908438 823743840 /nfs/dbraw/zinc/74/38/40/823743840.db2.gz BYQQQRAQRRYHHI-HSALFYBXSA-N 2 0 352.482 1.933 20 30 FDEDRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000329409175 824775766 /nfs/dbraw/zinc/77/57/66/824775766.db2.gz CPBOHQLNFLLPBG-NXWXRZEISA-N 2 0 364.534 1.694 20 30 FDEDRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330189680 825712655 /nfs/dbraw/zinc/71/26/55/825712655.db2.gz VNHUGDRZBZAIEH-JFRXWTBNSA-N 2 0 366.550 1.988 20 30 FDEDRP C[NH+]=C(NCCOc1ccc2c(c1)OCO2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262488794 827459593 /nfs/dbraw/zinc/45/95/93/827459593.db2.gz UEGJBAPKGAIHQY-MRXNPFEDSA-N 2 0 374.485 1.930 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105637625 842272669 /nfs/dbraw/zinc/27/26/69/842272669.db2.gz STTLYDMMCJTHRY-VURPSTOHSA-N 2 0 361.530 1.460 20 30 FDEDRP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)[N@@H+](C)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105641873 842306782 /nfs/dbraw/zinc/30/67/82/842306782.db2.gz FJMOTEDJLSBQGO-WWNBULGVSA-N 2 0 351.535 1.869 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[NH+](CC)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105661375 842690039 /nfs/dbraw/zinc/69/00/39/842690039.db2.gz IEHMQYZPFWSWNK-JYBIWHBTSA-N 2 0 351.535 1.870 20 30 FDEDRP C=C(Cl)CN1CCC[C@]2(CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)C1 ZINC001040260529 842849085 /nfs/dbraw/zinc/84/90/85/842849085.db2.gz GCNXSOWPWXDZOZ-NUJGCVRESA-N 2 0 355.910 1.773 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)COCC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105666676 843272640 /nfs/dbraw/zinc/27/26/40/843272640.db2.gz HWYADAPJRYFRNY-IZBJGVDFSA-N 2 0 367.534 1.107 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCC(F)(F)F)C[C@H]32)CC1 ZINC001076604859 848554515 /nfs/dbraw/zinc/55/45/15/848554515.db2.gz UUCTUKNZBQLJQC-JKSUJKDBSA-N 2 0 357.420 1.817 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C)N(C(=O)C(=C)CC[NH+](C)C)[C@@H](C)C1 ZINC000907472145 854215274 /nfs/dbraw/zinc/21/52/74/854215274.db2.gz MRBRPRSJJJSGNW-HDICACEKSA-N 2 0 364.534 1.450 20 30 FDEDRP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000908695632 855685482 /nfs/dbraw/zinc/68/54/82/855685482.db2.gz SESXXAXAMBEVMZ-WWNBULGVSA-N 2 0 372.517 1.388 20 30 FDEDRP C=C(C)Cn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC000909296336 856378795 /nfs/dbraw/zinc/37/87/95/856378795.db2.gz DZLNLZPVOBQEAN-SJORKVTESA-N 2 0 374.533 1.920 20 30 FDEDRP C=C(C)Cn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC000669334391 863001570 /nfs/dbraw/zinc/00/15/70/863001570.db2.gz DZZNBQJSJMMRQO-KURKYZTESA-N 2 0 374.533 1.920 20 30 FDEDRP C=C(C)Cn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000669335797 863005754 /nfs/dbraw/zinc/00/57/54/863005754.db2.gz XTBSOGYGZOHAHF-MSOLQXFVSA-N 2 0 374.533 1.922 20 30 FDEDRP CC[NH+]=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)NC(C)(C)C ZINC000912499528 859826804 /nfs/dbraw/zinc/82/68/04/859826804.db2.gz QEHBJFZCZDLTPC-UHFFFAOYSA-N 2 0 361.538 1.732 20 30 FDEDRP CSCCC[NH+]=C(NC[C@@H](C)C[NH+]1CCN(C)CC1)NC(C)(C)C ZINC000912508177 859832617 /nfs/dbraw/zinc/83/26/17/859832617.db2.gz ITFOKOIWTWBNKU-MRXNPFEDSA-N 2 0 357.612 1.957 20 30 FDEDRP C[C@H](CNC(NC[C@H]1CCCO1)=[NH+]C(C)(C)C)C[NH+]1CCN(C)CC1 ZINC000912508908 859832852 /nfs/dbraw/zinc/83/28/52/859832852.db2.gz SWLYOICTDZCGDW-IAGOWNOFSA-N 2 0 353.555 1.383 20 30 FDEDRP C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)CC[NH+]1CCCCC1 ZINC000669032930 860835782 /nfs/dbraw/zinc/83/57/82/860835782.db2.gz ZCLZMSMQAHPBDX-MSOLQXFVSA-N 2 0 374.533 1.922 20 30 FDEDRP C#CCN(C(=O)NCCCC[NH+]1CCN(CC)CC1)C1CC[NH+](C)CC1 ZINC000914100772 870763633 /nfs/dbraw/zinc/76/36/33/870763633.db2.gz NJJUOWLDRAIRSW-UHFFFAOYSA-N 2 0 363.550 1.143 20 30 FDEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](n2ccnn2)C1 ZINC001129093858 885723379 /nfs/dbraw/zinc/72/33/79/885723379.db2.gz SAERBUKUYQJARN-MSOLQXFVSA-N 2 0 365.441 1.547 20 30 FDEDRP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000923328718 888887674 /nfs/dbraw/zinc/88/76/74/888887674.db2.gz NECJVIIUEIXLIQ-QXAKKESOSA-N 2 0 356.470 1.172 20 30 FDEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084231751 913778223 /nfs/dbraw/zinc/77/82/23/913778223.db2.gz KLHYNLZZDCVDDR-ATZDWAIDSA-N 2 0 356.445 1.824 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000921992449 893919798 /nfs/dbraw/zinc/91/97/98/893919798.db2.gz WDLSHTJNCQXBIC-FXAWDEMLSA-N 2 0 354.498 1.904 20 30 FDEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084351841 914150989 /nfs/dbraw/zinc/15/09/89/914150989.db2.gz ANHTWDOYGABRLA-WTGUMLROSA-N 2 0 361.530 1.842 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)cc4)C[C@H]32)CC[N@@H+]1C ZINC001084355686 914173109 /nfs/dbraw/zinc/17/31/09/914173109.db2.gz BKTSXWPWXBOGPD-HUYLIWGRSA-N 2 0 352.482 1.931 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCCCCC3)C[C@H]2O)CC1 ZINC001078227210 898429102 /nfs/dbraw/zinc/42/91/02/898429102.db2.gz OEIUVBHYDZMCIB-WOJBJXKFSA-N 2 0 361.530 1.463 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CCOCC3CC3)[C@H](C)C2)CC1 ZINC001107033843 899817374 /nfs/dbraw/zinc/81/73/74/899817374.db2.gz CXNCXKSTJHISSK-YLJYHZDGSA-N 2 0 361.530 1.442 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CC[C@@H]3CCCO3)[C@H](C)C2)CC1 ZINC001107034387 899838935 /nfs/dbraw/zinc/83/89/35/899838935.db2.gz YUTGYTWSNWBABV-RLLQIKCJSA-N 2 0 361.530 1.585 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CCCOC(C)C)[C@H](C)C2)CC1 ZINC001107034206 899847961 /nfs/dbraw/zinc/84/79/61/899847961.db2.gz PCDCSIJKBFSNLH-UYAOXDASSA-N 2 0 363.546 1.831 20 30 FDEDRP C=CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546828 905520184 /nfs/dbraw/zinc/52/01/84/905520184.db2.gz QMWLJTBKHQSELK-SQGPQFPESA-N 2 0 362.518 1.134 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@@H](O)c3ccccc3)C2)CC1 ZINC001082941490 911017421 /nfs/dbraw/zinc/01/74/21/911017421.db2.gz SOPDOYJJKDYRNT-DUXKGJEZSA-N 2 0 369.509 1.502 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]C[C@H](C)OC)C2)CC1 ZINC001112584555 931783537 /nfs/dbraw/zinc/78/35/37/931783537.db2.gz XDWGOBZXJSLSNG-CUWPLCDZSA-N 2 0 361.530 1.585 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@@H]1n1ccnn1 ZINC001129923792 938569673 /nfs/dbraw/zinc/56/96/73/938569673.db2.gz WTUQOLMGIPHFKU-KURKYZTESA-N 2 0 360.506 1.316 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1n1ccnn1 ZINC001130038001 938636017 /nfs/dbraw/zinc/63/60/17/938636017.db2.gz HGJWXEJMYRGRHY-MOPGFXCFSA-N 2 0 368.485 1.571 20 30 FDEDRP C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[N@@H+](C)CC)CC1 ZINC001130305166 938803311 /nfs/dbraw/zinc/80/33/11/938803311.db2.gz LUECUMWHINDPHW-XLIONFOSSA-N 2 0 364.534 1.380 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1c1cn(C)cn1 ZINC001130671970 939971239 /nfs/dbraw/zinc/97/12/39/939971239.db2.gz DYNQVFUIHLMFOZ-FUHWJXTLSA-N 2 0 361.534 1.858 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1c1cn(C)cn1 ZINC001130672366 939971546 /nfs/dbraw/zinc/97/15/46/939971546.db2.gz ORBTVMWNCMZBMO-FUHWJXTLSA-N 2 0 359.518 1.612 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1cncn1C ZINC001131026151 940459727 /nfs/dbraw/zinc/45/97/27/940459727.db2.gz XSPLCDKMCRUOIA-QZTJIDSGSA-N 2 0 371.529 1.899 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1c1cncn1C ZINC001131054134 940481016 /nfs/dbraw/zinc/48/10/16/940481016.db2.gz TXFSARFCHMADQZ-GUDVDZBRSA-N 2 0 371.529 1.449 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1c1cncn1C ZINC001131084183 940489237 /nfs/dbraw/zinc/48/92/37/940489237.db2.gz LHDPAUNQEADDDH-IPMKNSEASA-N 2 0 371.529 1.592 20 30 FDEDRP C=CCC[C@H](C)[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001131361800 940558698 /nfs/dbraw/zinc/55/86/98/940558698.db2.gz DRSZFRXQJWNWCN-RCCFBDPRSA-N 2 0 364.534 1.332 20 30 FDEDRP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001131512105 940694089 /nfs/dbraw/zinc/69/40/89/940694089.db2.gz NLIWSKQIMGTIOO-AQNXPRMDSA-N 2 0 361.530 1.870 20 30 FDEDRP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2CC[NH+](CC#C)CC2)CC1 ZINC001131608791 940788648 /nfs/dbraw/zinc/78/86/48/940788648.db2.gz NKTULOXJBJZAIT-RTWAWAEBSA-N 2 0 371.525 1.341 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1c1cnn(C)c1 ZINC001086986635 953007364 /nfs/dbraw/zinc/00/73/64/953007364.db2.gz ZMUBADYZBHUWOZ-RBUKOAKNSA-N 2 0 364.453 1.842 20 30 FDEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092842627 956471260 /nfs/dbraw/zinc/47/12/60/956471260.db2.gz HUIGWRRXZKRICH-HCBQETRLSA-N 2 0 353.894 1.286 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093193073 957750314 /nfs/dbraw/zinc/75/03/14/957750314.db2.gz CIDWYQUCAVYOIM-ZTFGCOKTSA-N 2 0 358.461 1.833 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c[nH+]ccc3N(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001093470947 958231987 /nfs/dbraw/zinc/23/19/87/958231987.db2.gz AQJMMBSKUMHYQR-RBAQFSTRSA-N 2 0 370.497 1.361 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCC2CC2)CC1 ZINC001110152233 959532208 /nfs/dbraw/zinc/53/22/08/959532208.db2.gz JZFYXPXKXQPUTM-AABGKKOBSA-N 2 0 359.514 1.480 20 30 FDEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474398 960643349 /nfs/dbraw/zinc/64/33/49/960643349.db2.gz XTCUSBJHNNOMFW-LONDADKYSA-N 2 0 359.514 1.787 20 30 FDEDRP C=CCOCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001181518083 960944227 /nfs/dbraw/zinc/94/42/27/960944227.db2.gz OIZHJJVZNOTNHD-AJYBTWMASA-N 2 0 351.535 1.994 20 30 FDEDRP C[N@H+](CCN1CC[NH+](C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988772 961870559 /nfs/dbraw/zinc/87/05/59/961870559.db2.gz DHTWZBAAISHKKK-SJORKVTESA-N 2 0 365.522 1.457 20 30 FDEDRP C[NH+](C)CCN1CC[NH+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173429368 962145723 /nfs/dbraw/zinc/14/57/23/962145723.db2.gz VUWZSVIRMNIZQZ-UHFFFAOYSA-N 2 0 369.513 1.342 20 30 FDEDRP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001192977726 969415088 /nfs/dbraw/zinc/41/50/88/969415088.db2.gz JSBPMMCHHZGWLE-BHIYHBOVSA-N 2 0 365.518 1.005 20 30 FDEDRP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001194982240 970584416 /nfs/dbraw/zinc/58/44/16/970584416.db2.gz DRHLGEDHIHUZNY-QRVBRYPASA-N 2 0 351.535 1.993 20 30 FDEDRP C#CCOc1cc(F)ccc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000776299347 975332563 /nfs/dbraw/zinc/33/25/63/975332563.db2.gz IPKHEDBTTCOKHP-UHFFFAOYSA-N 2 0 350.438 1.795 20 30 FDEDRP C[NH+]=C(NCc1ccco1)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000849109989 977320284 /nfs/dbraw/zinc/32/02/84/977320284.db2.gz OFEKGVNUGVXRPB-UHFFFAOYSA-N 2 0 356.470 1.972 20 30 FDEDRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884227510 983001406 /nfs/dbraw/zinc/00/14/06/983001406.db2.gz RGDSUEQJTKPIPW-KYBDOYODSA-N 2 0 352.482 1.859 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000332141496 983001472 /nfs/dbraw/zinc/00/14/72/983001472.db2.gz KRKUSILJWBLMRB-SJLPKXTDSA-N 2 0 362.518 1.086 20 30 FDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1)C2 ZINC000884279690 983050676 /nfs/dbraw/zinc/05/06/76/983050676.db2.gz RBIBQZBRNMXGDG-HLCARVAJSA-N 2 0 358.873 1.952 20 30 FDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC1CC[NH+](Cc3ccncc3)CC1)C2 ZINC000884402477 983139405 /nfs/dbraw/zinc/13/94/05/983139405.db2.gz VEWGKIBCHDVQDB-SCCNAQOGSA-N 2 0 367.497 1.549 20 30 FDEDRP C#CCN(C(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C1CC[NH+](C)CC1 ZINC000886575610 986376355 /nfs/dbraw/zinc/37/63/55/986376355.db2.gz BSYPDXLNQBVIEQ-UHFFFAOYSA-N 2 0 374.573 1.739 20 30 FDEDRP C#CC[C@H]([NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC000362252261 988612899 /nfs/dbraw/zinc/61/28/99/988612899.db2.gz BGSXHDXUASDWCT-PMACEKPBSA-N 2 0 357.498 1.814 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000367524795 988955352 /nfs/dbraw/zinc/95/53/52/988955352.db2.gz OGMRUYIHKSTEIZ-KRWDZBQOSA-N 2 0 363.550 1.447 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000297615844 989579495 /nfs/dbraw/zinc/57/94/95/989579495.db2.gz KDGPWVCBMOSQBA-HXUWFJFHSA-N 2 0 372.513 1.355 20 30 FDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000876780992 992907073 /nfs/dbraw/zinc/90/70/73/992907073.db2.gz LLVDRZZOOHVSOK-ROUUACIJSA-N 2 0 364.921 1.951 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000876979322 992994603 /nfs/dbraw/zinc/99/46/03/992994603.db2.gz AZWLQJFVHGCURQ-XLIONFOSSA-N 2 0 352.482 1.983 20 30 FDEDRP COCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)CC1CC[NH+](C)CC1 ZINC000879124759 994557990 /nfs/dbraw/zinc/55/79/90/994557990.db2.gz BXLKJYMKOKQKCT-UHFFFAOYSA-N 2 0 358.486 1.465 20 30 FDEDRP N#Cc1cccc(CN2CCC([NH2+][C@H]3[C@@H]4COC[C@H]3C[C@H]([NH3+])C4)CC2)c1 ZINC000925701907 995730343 /nfs/dbraw/zinc/73/03/43/995730343.db2.gz IBRFVUYQMJVWIB-FSOBSUSHSA-N 2 0 354.498 1.865 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000264068721 997395848 /nfs/dbraw/zinc/39/58/48/997395848.db2.gz CJZJUNLGJPNGPO-QZTJIDSGSA-N 2 0 373.501 1.693 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000270817671 999619032 /nfs/dbraw/zinc/61/90/32/999619032.db2.gz HXSPHMKGNIGRAX-SFTDATJTSA-N 2 0 369.509 1.331 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccncc1OCCC[NH+](C)C ZINC000288668149 1000036537 /nfs/dbraw/zinc/03/65/37/1000036537.db2.gz HHDMKKCSYJQQPZ-KRWDZBQOSA-N 3 0 362.522 1.301 20 30 FDEDRP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(C#N)ccc1F ZINC001111277528 1002463885 /nfs/dbraw/zinc/46/38/85/1002463885.db2.gz WMTBJMOOXLNMDL-QRQLOZEOSA-N 2 0 374.460 1.497 20 30 FDEDRP C#CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000931001000 1003756668 /nfs/dbraw/zinc/75/66/68/1003756668.db2.gz SPQFWCVNIVGAEG-QGZVFWFLSA-N 2 0 374.529 1.066 20 30 FDEDRP CC(C)(C)OC(=O)N1CCN2C(NCCC[NH+]3CCCCC3)=[NH+]C[C@@H]2C1 ZINC000089120167 1006010441 /nfs/dbraw/zinc/01/04/41/1006010441.db2.gz DTKXIGPLSFJBDR-MRXNPFEDSA-N 2 0 365.522 1.743 20 30 FDEDRP CC1CC[NH+](CCNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)CC1 ZINC000089120441 1006010517 /nfs/dbraw/zinc/01/05/17/1006010517.db2.gz XQCHZGJCSKGQAJ-MRXNPFEDSA-N 2 0 365.522 1.599 20 30 FDEDRP C[C@@H]1CCCC[N@@H+]1CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000305040547 1008601853 /nfs/dbraw/zinc/60/18/53/1008601853.db2.gz VGHBCPFAJCGKAP-HZPDHXFCSA-N 2 0 365.522 1.741 20 30 FDEDRP C[C@@H]1C[NH+](Cc2ccc(CNC(=[NH2+])NC[C@H]3CCCO3)cc2)C[C@@H](C)O1 ZINC000303263267 1008784528 /nfs/dbraw/zinc/78/45/28/1008784528.db2.gz QUMHEVWGFFZQSE-GPMSIDNRSA-N 2 0 360.502 1.879 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(CN2CCOCC2)cc1 ZINC000303788832 1009583694 /nfs/dbraw/zinc/58/36/94/1009583694.db2.gz UUESGEYBNBDNJE-LJQANCHMSA-N 2 0 359.518 1.407 20 30 FDEDRP CN1CC[NH+](CCCCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CC1 ZINC000303898837 1009682869 /nfs/dbraw/zinc/68/28/69/1009682869.db2.gz RGIYEQRQTKTWEG-UHFFFAOYSA-N 2 0 361.490 1.602 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOc1cc(OC)cc(OC)c1 ZINC000304832497 1010498653 /nfs/dbraw/zinc/49/86/53/1010498653.db2.gz LFHQXKADVAZBKV-OAHLLOKOSA-N 2 0 364.490 1.861 20 30 FDEDRP Cn1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1C#N ZINC000190985878 178034515 /nfs/dbraw/zinc/03/45/15/178034515.db2.gz HFBWQCGPXKRLEY-IBGZPJMESA-N 2 0 365.481 1.884 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000530232105 539915317 /nfs/dbraw/zinc/91/53/17/539915317.db2.gz NFGLLISWKAYIBC-CEXWTWQISA-N 2 0 359.470 1.265 20 30 FDEDRP N#Cc1cccc(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000531392458 540096314 /nfs/dbraw/zinc/09/63/14/540096314.db2.gz BHGUJLIDDWCDAC-UHFFFAOYSA-N 2 0 363.465 1.824 20 30 FDEDRP Cc1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nn1-c1cccc(C#N)c1 ZINC000541880617 541287809 /nfs/dbraw/zinc/28/78/09/541287809.db2.gz RHHRJXYQQVSBPD-UHFFFAOYSA-N 2 0 368.485 1.618 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC000550834486 543183599 /nfs/dbraw/zinc/18/35/99/543183599.db2.gz KSUZOXKKRSTCLC-MSOLQXFVSA-N 2 0 364.534 1.354 20 30 FDEDRP COc1cc(C#N)ccc1OCC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000077275157 172124053 /nfs/dbraw/zinc/12/40/53/172124053.db2.gz KQKCZLWSKOWFOT-UHFFFAOYSA-N 2 0 374.485 1.335 20 30 FDEDRP Cn1cc(CN(CC[NH+](C)C)CC[NH+](C)C)c(-c2ccc(C#N)cc2)n1 ZINC000554875686 543884138 /nfs/dbraw/zinc/88/41/38/543884138.db2.gz NBSTXLUOESMIII-UHFFFAOYSA-N 2 0 354.502 1.884 20 30 FDEDRP CCN(C[C@@H](C)C#N)C(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000555686216 544005542 /nfs/dbraw/zinc/00/55/42/544005542.db2.gz UBWVVAKQAUJRHY-XNHLSEOASA-N 2 0 350.507 1.568 20 30 FDEDRP C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000073078976 522463596 /nfs/dbraw/zinc/46/35/96/522463596.db2.gz SYHWOPVIOHEIEI-UHFFFAOYSA-N 2 0 371.529 1.742 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC000074130038 522688606 /nfs/dbraw/zinc/68/86/06/522688606.db2.gz AVQXHGWVQHZIBT-SFHVURJKSA-N 2 0 365.566 1.600 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000077663093 523407422 /nfs/dbraw/zinc/40/74/22/523407422.db2.gz ZBFYPSQXJHAWHN-QGZVFWFLSA-N 2 0 364.534 1.827 20 30 FDEDRP C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000122093349 524449678 /nfs/dbraw/zinc/44/96/78/524449678.db2.gz AYWCGOYBSGMRIH-UHFFFAOYSA-N 2 0 368.441 1.505 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CCN(C3CC[NH+](CCC)CC3)CC2)CC1 ZINC000112324799 524459700 /nfs/dbraw/zinc/45/97/00/524459700.db2.gz ZTOOSKRLMZAEHP-UHFFFAOYSA-N 2 0 360.546 1.350 20 30 FDEDRP C[NH+]1CCN(c2cc(C[NH2+]Cc3cnc4ccc(C#N)cn34)ccn2)CC1 ZINC000123322528 524729105 /nfs/dbraw/zinc/72/91/05/524729105.db2.gz XMDJZOGDEUVZCO-UHFFFAOYSA-N 2 0 361.453 1.643 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000106562943 525758794 /nfs/dbraw/zinc/75/87/94/525758794.db2.gz NLADVEYLCHJAOG-IBGZPJMESA-N 2 0 363.550 1.448 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130647652 525782378 /nfs/dbraw/zinc/78/23/78/525782378.db2.gz JKNASHDJZKZURG-OAHLLOKOSA-N 2 0 352.523 1.093 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000171706917 526087570 /nfs/dbraw/zinc/08/75/70/526087570.db2.gz WKIHYRHWLHYAQC-UHFFFAOYSA-N 2 0 372.517 1.283 20 30 FDEDRP CN(C)c1nccc(N2CCN(CCOc3cccc(C#N)c3)CC2)n1 ZINC000134160745 526130911 /nfs/dbraw/zinc/13/09/11/526130911.db2.gz SYXZJBHCTNOTHT-UHFFFAOYSA-N 2 0 352.442 1.615 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000246849861 537038761 /nfs/dbraw/zinc/03/87/61/537038761.db2.gz TYUNRJYRXVFACJ-SFTDATJTSA-N 2 0 369.509 1.331 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000264149487 537138865 /nfs/dbraw/zinc/13/88/65/537138865.db2.gz YTMWOLTZQWGWEX-LBPRGKRZSA-N 2 0 369.395 1.637 20 30 FDEDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000375901821 537796403 /nfs/dbraw/zinc/79/64/03/537796403.db2.gz LHRPASOEVBSDOV-PMACEKPBSA-N 2 0 372.513 1.398 20 30 FDEDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)CC1 ZINC000377888100 538038909 /nfs/dbraw/zinc/03/89/09/538038909.db2.gz OJGPGOYRIGGXFO-IBGZPJMESA-N 2 0 369.513 1.987 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)C(C)C ZINC000424125906 538242910 /nfs/dbraw/zinc/24/29/10/538242910.db2.gz AWTJNKBLTJHGRF-SJLPKXTDSA-N 2 0 360.506 1.631 20 30 FDEDRP N#CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000424149903 538245142 /nfs/dbraw/zinc/24/51/42/538245142.db2.gz XUBSSVCOFUZNKU-GOSISDBHSA-N 2 0 362.449 1.806 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000561453435 545857761 /nfs/dbraw/zinc/85/77/61/545857761.db2.gz VQQOZBHBPFLYMK-KRWDZBQOSA-N 2 0 362.518 1.087 20 30 FDEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000564843650 547063770 /nfs/dbraw/zinc/06/37/70/547063770.db2.gz DVWWMMQIHMYQNZ-MRXNPFEDSA-N 2 0 364.515 1.829 20 30 FDEDRP C[N@@H+]1CCN(CC[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1(C)C ZINC000567700813 548219359 /nfs/dbraw/zinc/21/93/59/548219359.db2.gz RRGFENCKKXBYGN-SFHVURJKSA-N 2 0 360.502 1.108 20 30 FDEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC000590764236 551814501 /nfs/dbraw/zinc/81/45/01/551814501.db2.gz ZYVSTKDMPVEWFQ-UHFFFAOYSA-N 2 0 358.486 1.851 20 30 FDEDRP N#CCc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000591756039 551906394 /nfs/dbraw/zinc/90/63/94/551906394.db2.gz JUMINXIRNWZVOC-HMXCVIKNSA-N 2 0 373.497 1.460 20 30 FDEDRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCO1 ZINC000593721573 552182270 /nfs/dbraw/zinc/18/22/70/552182270.db2.gz PUOIEEGZIWDLJH-DNVCBOLYSA-N 2 0 371.485 1.280 20 30 FDEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594256606 552272102 /nfs/dbraw/zinc/27/21/02/552272102.db2.gz STLCAOJUPFFJEU-KDURUIRLSA-N 2 0 357.502 1.972 20 30 FDEDRP N#CC1(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCOCC1 ZINC000597021244 552735774 /nfs/dbraw/zinc/73/57/74/552735774.db2.gz PDFBRNPBFYRUBZ-UHFFFAOYSA-N 2 0 371.485 1.420 20 30 FDEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000599434841 553056227 /nfs/dbraw/zinc/05/62/27/553056227.db2.gz JQNRFJSVQAMBFT-GOSISDBHSA-N 2 0 360.502 1.304 20 30 FDEDRP C[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[NH2+]1 ZINC000599921905 553174869 /nfs/dbraw/zinc/17/48/69/553174869.db2.gz FERFTFKVVSAWTP-BEFAXECRSA-N 2 0 355.486 1.962 20 30 FDEDRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@@H](O)COc3ccccc3C#N)C2)CC1 ZINC000600724682 553307529 /nfs/dbraw/zinc/30/75/29/553307529.db2.gz HDHAXOMILGNOFQ-PKOBYXMFSA-N 2 0 358.486 1.056 20 30 FDEDRP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000601019082 553339979 /nfs/dbraw/zinc/33/99/79/553339979.db2.gz AEQSQBRBISCKHT-UHFFFAOYSA-N 2 0 368.485 1.520 20 30 FDEDRP C[NH+]=C(NCc1nncn1C)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000081984552 671470087 /nfs/dbraw/zinc/47/00/87/671470087.db2.gz ABHZXAXKMXGOPB-BBRMVZONSA-N 2 0 361.519 1.625 20 30 FDEDRP CCOC(=O)N1CCC(NC(=[NH2+])NCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000104156677 671594390 /nfs/dbraw/zinc/59/43/90/671594390.db2.gz QICNNKZRYJTMBF-OAHLLOKOSA-N 2 0 353.511 1.776 20 30 FDEDRP CN1CC[N@H+](CCCNC(=[NH2+])N2CCSCC2)[C@H](c2ccccc2)C1 ZINC000104169381 671594604 /nfs/dbraw/zinc/59/46/04/671594604.db2.gz VHHMMJVUIDMYMZ-SFHVURJKSA-N 2 0 361.559 1.729 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000178566100 672143603 /nfs/dbraw/zinc/14/36/03/672143603.db2.gz HCWIFCSRMDIEES-CABCVRRESA-N 2 0 353.511 1.775 20 30 FDEDRP CC[NH+]=C(NC[C@@H]1C[N@H+](CC(C)C)CCO1)N1CC[C@@]2(CCOC2)C1 ZINC000261947552 672699762 /nfs/dbraw/zinc/69/97/62/672699762.db2.gz GJDAITPWVNYCFV-IEBWSBKVSA-N 2 0 352.523 1.421 20 30 FDEDRP C[NH+]=C(NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)N1CCC(C(=O)OC)CC1 ZINC000262524225 672803038 /nfs/dbraw/zinc/80/30/38/672803038.db2.gz FYAGOUCDZHXHOM-OAHLLOKOSA-N 2 0 352.523 1.957 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)c1cccc(Br)c1 ZINC000283149987 675649297 /nfs/dbraw/zinc/64/92/97/675649297.db2.gz YWSRBQKHSJZEBZ-LSDHHAIUSA-N 2 0 369.307 1.871 20 30 FDEDRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000328920891 676612084 /nfs/dbraw/zinc/61/20/84/676612084.db2.gz BICJYVZYXPDNGA-SFHVURJKSA-N 2 0 351.539 1.390 20 30 FDEDRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)CC1 ZINC000328977631 676614656 /nfs/dbraw/zinc/61/46/56/676614656.db2.gz QNPSFVDZDZMMGC-SCTDSRPQSA-N 2 0 353.507 1.679 20 30 FDEDRP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000360472614 676868226 /nfs/dbraw/zinc/86/82/26/676868226.db2.gz LTKWTTUYLDRSCD-IEBWSBKVSA-N 2 0 350.551 1.900 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377266889 678501264 /nfs/dbraw/zinc/50/12/64/678501264.db2.gz MWZIPZZOTWQTAK-QGZVFWFLSA-N 2 0 350.551 1.805 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000419691760 680323899 /nfs/dbraw/zinc/32/38/99/680323899.db2.gz AFGSCPLMWJDEQW-UHFFFAOYSA-N 2 0 350.507 1.182 20 30 FDEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCC(=O)Nc2sccc2C#N)CC1 ZINC000451989449 682991736 /nfs/dbraw/zinc/99/17/36/682991736.db2.gz QQALOKYZGRBAAM-UHFFFAOYSA-N 2 0 363.531 1.954 20 30 FDEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001104287662 773065457 /nfs/dbraw/zinc/06/54/57/773065457.db2.gz JKQBSXMSLNSORA-VAMGGRTRSA-N 2 0 363.546 1.688 20 30 FDEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001022098311 777913291 /nfs/dbraw/zinc/91/32/91/777913291.db2.gz JPZHALFQIKJVIO-TWMKSMIVSA-N 2 0 355.910 1.723 20 30 FDEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001105017014 794932552 /nfs/dbraw/zinc/93/25/52/794932552.db2.gz MEVXXUGVFAMHGC-CEXWTWQISA-N 2 0 351.535 1.995 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccn(C)n3)C2)CC1 ZINC001105062287 795107117 /nfs/dbraw/zinc/10/71/17/795107117.db2.gz KURVEKVOVSCRMC-IEBWSBKVSA-N 2 0 371.529 1.340 20 30 FDEDRP C=CC[C@]1(C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)CCC[NH2+]1 ZINC000662723038 802903001 /nfs/dbraw/zinc/90/30/01/802903001.db2.gz BPHPHNZPQVXMIY-HXUWFJFHSA-N 2 0 358.486 1.293 20 30 FDEDRP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]32)CC[N@@H+]1C ZINC000978176440 805254181 /nfs/dbraw/zinc/25/41/81/805254181.db2.gz GBEKJHCTYCDVLI-CBFGRJNTSA-N 2 0 352.482 1.692 20 30 FDEDRP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000978183184 805263010 /nfs/dbraw/zinc/26/30/10/805263010.db2.gz UENZBEKJOLWOHH-UEDWAMCQSA-N 2 0 359.514 1.051 20 30 FDEDRP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4ccc(C#N)s4)C[C@H]32)CC[N@@H+]1C ZINC000978185636 805285199 /nfs/dbraw/zinc/28/51/99/805285199.db2.gz WAGPVEQRROWFPE-YXWSMURKSA-N 2 0 358.511 1.754 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)COC[C@H](C)[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC001211678456 805351114 /nfs/dbraw/zinc/35/11/14/805351114.db2.gz XJGUBQGHIXHAJV-SESVDKBCSA-N 2 0 369.509 1.705 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000664016342 810165005 /nfs/dbraw/zinc/16/50/05/810165005.db2.gz OAEJUWWXAFELKF-IBGZPJMESA-N 2 0 364.534 1.923 20 30 FDEDRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3cc(C#N)ccc3F)C2)CC[N@@H+]1C ZINC001028551014 810624251 /nfs/dbraw/zinc/62/42/51/810624251.db2.gz XJNDHASKHCUIBD-UWWQBHOKSA-N 2 0 358.461 1.976 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C(F)(F)F ZINC001112124587 810837315 /nfs/dbraw/zinc/83/73/15/810837315.db2.gz NAFWGDDBWSHJDU-HZPDHXFCSA-N 2 0 368.403 1.910 20 30 FDEDRP C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)nc2)C1 ZINC000328933812 819583038 /nfs/dbraw/zinc/58/30/38/819583038.db2.gz IRVMHKMDUJNCKK-IAGOWNOFSA-N 2 0 358.490 1.200 20 30 FDEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001088315721 828463829 /nfs/dbraw/zinc/46/38/29/828463829.db2.gz GLIIVKVFYVAXTG-AQNXPRMDSA-N 2 0 361.530 1.727 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCN(c3cc[nH+]cc3OC)CC2)CC1 ZINC000474328030 822718658 /nfs/dbraw/zinc/71/86/58/822718658.db2.gz FOKIGPIAKMBSTB-UHFFFAOYSA-N 2 0 359.474 1.572 20 30 FDEDRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000329538636 824863092 /nfs/dbraw/zinc/86/30/92/824863092.db2.gz MMTBBVGZXQWSRH-LULLPPNCSA-N 2 0 364.534 1.837 20 30 FDEDRP C=C(Cl)CN1CC[C@@H]2CN(C(=O)c3cc(CN(C)C)on3)C[C@@H]2C1 ZINC001088021456 825331548 /nfs/dbraw/zinc/33/15/48/825331548.db2.gz MIVVBAIPLGUDME-KGLIPLIRSA-N 2 0 352.866 1.883 20 30 FDEDRP C[NH+]=C(NC[C@@H]1C[N@H+](CC(C)C)CCO1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262346155 825573289 /nfs/dbraw/zinc/57/32/89/825573289.db2.gz AIZVIEAGVGVCQX-XDNAFOTISA-N 2 0 366.550 1.712 20 30 FDEDRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000330210340 825735451 /nfs/dbraw/zinc/73/54/51/825735451.db2.gz CIULSLMRCZXSID-OTWHNJEPSA-N 2 0 364.534 1.838 20 30 FDEDRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000330214793 825737215 /nfs/dbraw/zinc/73/72/15/825737215.db2.gz GKZSWQCMTWPBAX-MOPGFXCFSA-N 2 0 364.534 1.838 20 30 FDEDRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000330220602 825739517 /nfs/dbraw/zinc/73/95/17/825739517.db2.gz KYGTXFCMXNNNDH-QRVBRYPASA-N 2 0 364.534 1.838 20 30 FDEDRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000330327431 825917635 /nfs/dbraw/zinc/91/76/35/825917635.db2.gz KXRCXYLDCIRRRV-VDZJLULYSA-N 2 0 374.533 1.886 20 30 FDEDRP C[C@H]1CC[N@H+](CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000897429000 833164975 /nfs/dbraw/zinc/16/49/75/833164975.db2.gz XPESKFYWEHAGDE-KRWDZBQOSA-N 2 0 357.502 1.973 20 30 FDEDRP CC[NH+]=C(NCC(C)(C)N1CCOCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262496755 827601684 /nfs/dbraw/zinc/60/16/84/827601684.db2.gz WTPAUJDTVQDTMF-SFHVURJKSA-N 2 0 365.566 1.623 20 30 FDEDRP C=CCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105658957 842500778 /nfs/dbraw/zinc/50/07/78/842500778.db2.gz LNPIPLOPLVRCIF-HNBVOPMISA-N 2 0 351.535 1.870 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000899099263 845793707 /nfs/dbraw/zinc/79/37/07/845793707.db2.gz XSPQLTVTRUKJBM-FQEVSTJZSA-N 2 0 371.529 1.752 20 30 FDEDRP N#CCOc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC001076572636 848445725 /nfs/dbraw/zinc/44/57/25/848445725.db2.gz DICWRLNKWUJBJE-AZUAARDMSA-N 2 0 368.481 1.717 20 30 FDEDRP C#CCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000913893297 869935867 /nfs/dbraw/zinc/93/58/67/869935867.db2.gz NTFKAFORZOEVRL-LJQANCHMSA-N 2 0 354.498 2.000 20 30 FDEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001106133730 870113847 /nfs/dbraw/zinc/11/38/47/870113847.db2.gz QUJRCGJERWWBPI-IAGOWNOFSA-N 2 0 364.534 1.237 20 30 FDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C[C@H]1C ZINC001106143709 871372567 /nfs/dbraw/zinc/37/25/67/871372567.db2.gz JRWXYSLFEWEKKA-AFYVEPGGSA-N 2 0 361.530 1.441 20 30 FDEDRP C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106600237 876112827 /nfs/dbraw/zinc/11/28/27/876112827.db2.gz VJOVJCZIHDVRRD-QZTJIDSGSA-N 2 0 364.534 1.213 20 30 FDEDRP C=CCN1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC001034648026 884614789 /nfs/dbraw/zinc/61/47/89/884614789.db2.gz UYJZKNQOBGPIQK-ZKXLYKBJSA-N 2 0 362.518 1.131 20 30 FDEDRP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001128989005 884803133 /nfs/dbraw/zinc/80/31/33/884803133.db2.gz JPDWLSGPIWKZFC-SQNIBIBYSA-N 2 0 360.506 1.459 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000920265425 886827972 /nfs/dbraw/zinc/82/79/72/886827972.db2.gz GEASXPAWLAQQKQ-UHFFFAOYSA-N 2 0 354.498 1.482 20 30 FDEDRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001127570690 888821268 /nfs/dbraw/zinc/82/12/68/888821268.db2.gz CINLMPFFGXLKHJ-UXHICEINSA-N 2 0 370.497 1.511 20 30 FDEDRP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000923377991 889050705 /nfs/dbraw/zinc/05/07/05/889050705.db2.gz FNGQKDPVTSATAZ-NSHGMRRFSA-N 2 0 359.470 1.516 20 30 FDEDRP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000923412358 889184964 /nfs/dbraw/zinc/18/49/64/889184964.db2.gz XSNJXJBRKOGNER-AZUAARDMSA-N 2 0 359.470 1.388 20 30 FDEDRP C=C(C)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)nn2)C1 ZINC000999987538 896520992 /nfs/dbraw/zinc/52/09/92/896520992.db2.gz PLWCSOFAOHLZFT-OKZBNKHCSA-N 2 0 360.506 1.448 20 30 FDEDRP C#CCC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001128107516 896967065 /nfs/dbraw/zinc/96/70/65/896967065.db2.gz SKFRMUDFVYDIDL-BHIYHBOVSA-N 2 0 369.513 1.230 20 30 FDEDRP C=CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001079129831 901938089 /nfs/dbraw/zinc/93/80/89/901938089.db2.gz JMGQFAYIDATMEB-VAMGGRTRSA-N 2 0 357.498 1.731 20 30 FDEDRP C=C(C)C[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001079146698 901966949 /nfs/dbraw/zinc/96/69/49/901966949.db2.gz BKMHTSAOLUUOLS-XUVXKRRUSA-N 2 0 357.498 1.588 20 30 FDEDRP C=CCC[NH+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079258034 902290740 /nfs/dbraw/zinc/29/07/40/902290740.db2.gz JXZFIDFEIRGADT-RBUKOAKNSA-N 2 0 361.530 1.844 20 30 FDEDRP C=CCC[NH+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]3COC[C@@H]32)CC1 ZINC001079270164 902327675 /nfs/dbraw/zinc/32/76/75/902327675.db2.gz FDNAAEAVQWHQQA-ZWKOTPCHSA-N 2 0 359.514 1.598 20 30 FDEDRP C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001082515533 908184389 /nfs/dbraw/zinc/18/43/89/908184389.db2.gz QHKNEWRTLANMOF-BYCMXARLSA-N 2 0 356.308 1.673 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccnc3OC)C2)CC1 ZINC001082941471 911017899 /nfs/dbraw/zinc/01/78/99/911017899.db2.gz RWTPXNBQNYDUEO-VQIMIIECSA-N 2 0 370.497 1.372 20 30 FDEDRP C[NH+](C)CCOc1ccc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1 ZINC000733332840 920988874 /nfs/dbraw/zinc/98/88/74/920988874.db2.gz DCUYUGDWZKDQNR-HNENSFHCSA-N 2 0 358.442 1.243 20 30 FDEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902445 930718146 /nfs/dbraw/zinc/71/81/46/930718146.db2.gz JIADVNDLSFLAQF-NJAFHUGGSA-N 2 0 351.491 1.021 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+](CC)CC)C2 ZINC001112548549 931472151 /nfs/dbraw/zinc/47/21/51/931472151.db2.gz FRVCLKCRTXFETB-ZWOKBUDYSA-N 2 0 364.534 1.237 20 30 FDEDRP C[NH+](C)CC#CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC001170994158 945106193 /nfs/dbraw/zinc/10/61/93/945106193.db2.gz WTVJOQKOPHAPNJ-TZIWHRDSSA-N 2 0 355.482 1.206 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1n1ccnn1 ZINC001129919492 938567745 /nfs/dbraw/zinc/56/77/45/938567745.db2.gz YCZGAJXNDGKLCR-MSOLQXFVSA-N 2 0 365.441 1.466 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1n1ccnn1 ZINC001129924755 938570254 /nfs/dbraw/zinc/57/02/54/938570254.db2.gz IMRABYVFUPKWDZ-MSOLQXFVSA-N 2 0 365.441 1.547 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1n1ccnn1 ZINC001130037970 938635740 /nfs/dbraw/zinc/63/57/40/938635740.db2.gz FIJTZKKPNXDTTP-MOPGFXCFSA-N 2 0 366.469 1.018 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@@H]1n1ccnn1 ZINC001130137020 938709709 /nfs/dbraw/zinc/70/97/09/938709709.db2.gz FFYFMPAFVJFAIA-KURKYZTESA-N 2 0 360.506 1.460 20 30 FDEDRP C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001130299143 938799531 /nfs/dbraw/zinc/79/95/31/938799531.db2.gz YSGVLWKWMHFIJE-XLIONFOSSA-N 2 0 364.534 1.380 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1c1cncn1C ZINC001131026154 940459655 /nfs/dbraw/zinc/45/96/55/940459655.db2.gz XWGXHRXRCYMPTH-QZTJIDSGSA-N 2 0 364.453 1.842 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1c1cncn1C ZINC001131031757 940469211 /nfs/dbraw/zinc/46/92/11/940469211.db2.gz VYCIYSNFYCOZNP-QZTJIDSGSA-N 2 0 364.453 1.842 20 30 FDEDRP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001131541295 940715254 /nfs/dbraw/zinc/71/52/54/940715254.db2.gz GZRGKMOIQKYJIQ-MOPGFXCFSA-N 2 0 361.530 1.870 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001086989225 953013895 /nfs/dbraw/zinc/01/38/95/953013895.db2.gz PSGDERYCDPENDD-ZCNNSNEGSA-N 2 0 371.529 1.755 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001086993865 953028197 /nfs/dbraw/zinc/02/81/97/953028197.db2.gz WKMLLOKYYLRMKV-ZWKOTPCHSA-N 2 0 371.485 1.849 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1c1cnn(C)c1 ZINC001087003429 953059422 /nfs/dbraw/zinc/05/94/22/953059422.db2.gz XOMKOLVZPPTFJZ-RBUKOAKNSA-N 2 0 359.518 1.612 20 30 FDEDRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001087100316 953270573 /nfs/dbraw/zinc/27/05/73/953270573.db2.gz PJCZIRBXFPXTSI-VAMGGRTRSA-N 2 0 370.497 1.463 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093193072 957749719 /nfs/dbraw/zinc/74/97/19/957749719.db2.gz CIDWYQUCAVYOIM-FHLIZLRMSA-N 2 0 358.461 1.833 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]2C)CC1 ZINC001093223529 957853209 /nfs/dbraw/zinc/85/32/09/957853209.db2.gz AYCICANGPXKTRD-QWFCFKBJSA-N 2 0 361.530 1.442 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C(C)C)C[C@H]1O ZINC001093475301 958252502 /nfs/dbraw/zinc/25/25/02/958252502.db2.gz XENGORZMKPPXSU-NEYJZJCJSA-N 2 0 361.530 1.624 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3ncc(C)o3)[C@H](C)C2)CC1 ZINC001094239848 960157788 /nfs/dbraw/zinc/15/77/88/960157788.db2.gz HSIIGEIRVWABTG-CRAIPNDOSA-N 2 0 358.486 1.512 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3nccs3)[C@H](C)C2)CC1 ZINC001094240154 960159381 /nfs/dbraw/zinc/15/93/81/960159381.db2.gz SHOTUOAHDLTGML-NVXWUHKLSA-N 2 0 360.527 1.672 20 30 FDEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474059 960643465 /nfs/dbraw/zinc/64/34/65/960643465.db2.gz JNYLOFSYLYYHRA-LONDADKYSA-N 2 0 357.498 1.234 20 30 FDEDRP CC(C)(C)OC(=O)N1CC[C@@H](N2CC[NH+](CCCC[NH3+])CC2)C[C@H]1C#N ZINC001172980215 961864623 /nfs/dbraw/zinc/86/46/23/961864623.db2.gz VIQIEKTWFGZOCL-SJORKVTESA-N 2 0 365.522 1.635 20 30 FDEDRP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189484247 967028846 /nfs/dbraw/zinc/02/88/46/967028846.db2.gz FSPPFWUPFZCSQR-ZWKOTPCHSA-N 2 0 362.518 1.062 20 30 FDEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000852887257 967690547 /nfs/dbraw/zinc/69/05/47/967690547.db2.gz JLAXVGHZKCDMNW-FQEVSTJZSA-N 2 0 355.482 1.397 20 30 FDEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000852893673 967693880 /nfs/dbraw/zinc/69/38/80/967693880.db2.gz ZGOXLFGFTMINKJ-UHFFFAOYSA-N 2 0 369.513 1.586 20 30 FDEDRP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001194982239 970583169 /nfs/dbraw/zinc/58/31/69/970583169.db2.gz DRHLGEDHIHUZNY-GUDVDZBRSA-N 2 0 351.535 1.993 20 30 FDEDRP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198698628 973376800 /nfs/dbraw/zinc/37/68/00/973376800.db2.gz CHGQOKDDMOGBLH-RCCFBDPRSA-N 2 0 355.523 1.086 20 30 FDEDRP N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000848394147 976715592 /nfs/dbraw/zinc/71/55/92/976715592.db2.gz GZILAEQHWYGHKB-IAGOWNOFSA-N 2 0 358.442 1.945 20 30 FDEDRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000867959432 977143619 /nfs/dbraw/zinc/14/36/19/977143619.db2.gz ZFQKWXWYVLBIQP-QUCCMNQESA-N 2 0 370.497 1.704 20 30 FDEDRP COc1cccc([C@@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[NH+](C)C)c1 ZINC000884178300 982950973 /nfs/dbraw/zinc/95/09/73/982950973.db2.gz IFAHDRBNCZLNFZ-CAZWYBIWSA-N 2 0 356.470 1.553 20 30 FDEDRP CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(OCC[NH+](C)C)cc1 ZINC000884211374 982987904 /nfs/dbraw/zinc/98/79/04/982987904.db2.gz BGLMWIUQFKLFRO-LFDOHDQPSA-N 2 0 356.470 1.729 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000299154292 988175165 /nfs/dbraw/zinc/17/51/65/988175165.db2.gz NNJFAZXKEAUPDI-UHFFFAOYSA-N 2 0 368.525 1.395 20 30 FDEDRP C[NH+]1CCC[C@@H]2CN(CC#CCN3CC[C@H]4[C@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000367461898 988952345 /nfs/dbraw/zinc/95/23/45/988952345.db2.gz BZTQTTLLQQQMNP-YSFYHYPLSA-N 2 0 358.574 1.822 20 30 FDEDRP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000296610069 989324823 /nfs/dbraw/zinc/32/48/23/989324823.db2.gz XCIBANPNDGLDRM-QGZVFWFLSA-N 2 0 357.502 1.861 20 30 FDEDRP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000363635410 989359941 /nfs/dbraw/zinc/35/99/41/989359941.db2.gz WFLQYIWFYCSXBR-FQEVSTJZSA-N 2 0 373.497 1.732 20 30 FDEDRP C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875555433 991730896 /nfs/dbraw/zinc/73/08/96/991730896.db2.gz SRSGFERLPGQRJA-BRSBDYLESA-N 2 0 352.523 1.348 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877357563 993243446 /nfs/dbraw/zinc/24/34/46/993243446.db2.gz XYQIDXRIFBTAMX-CFVMTHIKSA-N 2 0 352.360 1.341 20 30 FDEDRP C[C@H](O)[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@H+]3CC[C@H]([C@H](C)O)C3)c2)C1 ZINC000878393069 993938684 /nfs/dbraw/zinc/93/86/84/993938684.db2.gz ZVBGXCVTSKTWEA-SNHGZMDHSA-N 2 0 357.498 1.964 20 30 FDEDRP [NH2+]=C(NCCCC[NH+]1CCOCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000104169738 998312548 /nfs/dbraw/zinc/31/25/48/998312548.db2.gz PDRUASPMAXJHRU-UHFFFAOYSA-N 2 0 363.481 1.375 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)CC1 ZINC000928648729 1001607268 /nfs/dbraw/zinc/60/72/68/1001607268.db2.gz QVFIAYXCGZKBDI-PMACEKPBSA-N 2 0 371.529 1.448 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000928655818 1001611775 /nfs/dbraw/zinc/61/17/75/1001611775.db2.gz ZNUSSKWWOCPWPI-UHFFFAOYSA-N 2 0 354.498 1.261 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000930007473 1002730979 /nfs/dbraw/zinc/73/09/79/1002730979.db2.gz RMECYBMGVFIYMW-UHFFFAOYSA-N 2 0 362.518 1.276 20 30 FDEDRP CC1CC[NH+](CCCNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000303787594 1009583392 /nfs/dbraw/zinc/58/33/92/1009583392.db2.gz SOEGOPBMENFPPJ-UHFFFAOYSA-N 2 0 367.538 1.976 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1c(OC)cc(OC)cc1OC ZINC000304746165 1010476506 /nfs/dbraw/zinc/47/65/06/1010476506.db2.gz FQQHHMGYSCYDMO-AWEZNQCLSA-N 2 0 364.490 1.644 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC000550834487 543183302 /nfs/dbraw/zinc/18/33/02/543183302.db2.gz KSUZOXKKRSTCLC-QZTJIDSGSA-N 2 0 364.534 1.354 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000553396145 543625992 /nfs/dbraw/zinc/62/59/92/543625992.db2.gz WLWMRODVWMOYRV-QGZVFWFLSA-N 2 0 364.534 1.524 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000553669151 543677757 /nfs/dbraw/zinc/67/77/57/543677757.db2.gz LEQYDCNIQBROPR-QGZVFWFLSA-N 2 0 364.534 1.237 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000557730808 544337296 /nfs/dbraw/zinc/33/72/96/544337296.db2.gz DVWJOVVHODJPOV-RTBURBONSA-N 2 0 370.497 1.315 20 30 FDEDRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000333682774 259369604 /nfs/dbraw/zinc/36/96/04/259369604.db2.gz OYTCHWNZVMHHCR-VQIMIIECSA-N 2 0 355.486 1.774 20 30 FDEDRP C[C@H]1C[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000333872846 259388897 /nfs/dbraw/zinc/38/88/97/259388897.db2.gz UWIQQQVGQJHARD-QFBILLFUSA-N 2 0 355.486 1.916 20 30 FDEDRP Cn1ccnc1C[C@H]1CCCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000367379303 260032775 /nfs/dbraw/zinc/03/27/75/260032775.db2.gz ZTEZNBVGPWEKIF-OAHLLOKOSA-N 2 0 373.482 1.415 20 30 FDEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000075007900 522865587 /nfs/dbraw/zinc/86/55/87/522865587.db2.gz YMINBJIJFJTTCB-OAHLLOKOSA-N 2 0 354.495 1.210 20 30 FDEDRP CCN1CC[NH+](CCCCNC(=[NH2+])N[C@H]2CCOc3ccccc32)CC1 ZINC000083031839 524233527 /nfs/dbraw/zinc/23/35/27/524233527.db2.gz XAUWZYCHQDAPMG-SFHVURJKSA-N 2 0 359.518 1.832 20 30 FDEDRP C[NH+]=C(NCc1cccnc1-n1ccnc1)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158346696 524450252 /nfs/dbraw/zinc/45/02/52/524450252.db2.gz DPLCWPMUEAUNFS-RDJZCZTQSA-N 2 0 355.490 1.661 20 30 FDEDRP CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)CC1 ZINC000091541672 524721475 /nfs/dbraw/zinc/72/14/75/524721475.db2.gz GFTZSBMSULKELA-LJQANCHMSA-N 2 0 363.550 1.342 20 30 FDEDRP [NH2+]=C(NCCCN1CCOCC1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000170910628 525764984 /nfs/dbraw/zinc/76/49/84/525764984.db2.gz GKCCJQINCOZILX-UHFFFAOYSA-N 2 0 373.545 1.525 20 30 FDEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181720690 525905782 /nfs/dbraw/zinc/90/57/82/525905782.db2.gz BGQFNWAEHWJWMP-SFHVURJKSA-N 2 0 355.530 1.748 20 30 FDEDRP C#CCNC(=O)[C@@H](C)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133460524 526061886 /nfs/dbraw/zinc/06/18/86/526061886.db2.gz TWFHVDNQVKRCIT-RTBURBONSA-N 2 0 369.513 1.054 20 30 FDEDRP C=CCN(CC=C)C(=O)[C@H](C)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000134180030 526132818 /nfs/dbraw/zinc/13/28/18/526132818.db2.gz QHMUKBQPIVVJRU-INIZCTEOSA-N 2 0 358.490 1.254 20 30 FDEDRP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182989415 535900150 /nfs/dbraw/zinc/90/01/50/535900150.db2.gz BALADRRHXWISJH-HXUWFJFHSA-N 2 0 364.534 1.865 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000363890171 537356506 /nfs/dbraw/zinc/35/65/06/537356506.db2.gz BYICQDIATYBMPE-LJQANCHMSA-N 2 0 363.550 1.447 20 30 FDEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000274850724 537532827 /nfs/dbraw/zinc/53/28/27/537532827.db2.gz QWCOQUAIVAKXKM-BQFCYCMXSA-N 2 0 358.486 1.887 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000563725981 546662396 /nfs/dbraw/zinc/66/23/96/546662396.db2.gz UYICUBASWFSLFT-SFHVURJKSA-N 2 0 362.518 1.230 20 30 FDEDRP N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000565363339 547321285 /nfs/dbraw/zinc/32/12/85/547321285.db2.gz FGBQNKMEENCYTF-QGZVFWFLSA-N 2 0 365.499 1.158 20 30 FDEDRP CN(C)CC[N@H+](C)CCCN(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000569386088 548900177 /nfs/dbraw/zinc/90/01/77/548900177.db2.gz RAULRYPLSLIKAI-UHFFFAOYSA-N 2 0 356.474 1.924 20 30 FDEDRP N#Cc1cccc(CN2CCC([NH2+]C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)c1 ZINC000593323317 552089536 /nfs/dbraw/zinc/08/95/36/552089536.db2.gz UDHNNOZSLXJKBT-LJQANCHMSA-N 2 0 369.513 1.310 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)CC2)c1 ZINC000593722598 552182696 /nfs/dbraw/zinc/18/26/96/552182696.db2.gz XHRMWRGMXGVDTP-UYAOXDASSA-N 2 0 367.497 1.916 20 30 FDEDRP COC1CC[NH+](C2(CNC(=O)[C@H]([NH3+])CCCCC#N)CCCC2)CC1 ZINC000594439592 552310211 /nfs/dbraw/zinc/31/02/11/552310211.db2.gz XOISYARQHDYRRW-QGZVFWFLSA-N 2 0 350.507 1.937 20 30 FDEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000594444993 552311637 /nfs/dbraw/zinc/31/16/37/552311637.db2.gz HODZJOPZCDEJDU-GOSISDBHSA-N 2 0 350.507 1.749 20 30 FDEDRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598592470 552912653 /nfs/dbraw/zinc/91/26/53/552912653.db2.gz KKIDHLARGFCMQA-QGZVFWFLSA-N 2 0 366.550 1.703 20 30 FDEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)[C@@H](C)C1 ZINC000599373043 553038988 /nfs/dbraw/zinc/03/89/88/553038988.db2.gz RQVCCRPVEDJPEF-OTWHNJEPSA-N 2 0 367.534 1.784 20 30 FDEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599930015 553175598 /nfs/dbraw/zinc/17/55/98/553175598.db2.gz YHLPFIGGSLQOQD-GOSISDBHSA-N 2 0 355.486 1.916 20 30 FDEDRP N#Cc1ccc(CC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000602513082 553596175 /nfs/dbraw/zinc/59/61/75/553596175.db2.gz ZUJKGSFDTIFHJZ-UHFFFAOYSA-N 2 0 363.465 1.605 20 30 FDEDRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000602520653 553597376 /nfs/dbraw/zinc/59/73/76/553597376.db2.gz KPTQCQRBWFJORK-UYAOXDASSA-N 2 0 356.470 1.406 20 30 FDEDRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)CC1 ZINC000609338393 554368626 /nfs/dbraw/zinc/36/86/26/554368626.db2.gz UONXBWPCMJPDSY-WOJBJXKFSA-N 2 0 372.513 1.204 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(S(=O)(=O)CC)cc1 ZINC000271943749 674398799 /nfs/dbraw/zinc/39/87/99/674398799.db2.gz MNWQEQLIKWAZDN-OAHLLOKOSA-N 2 0 352.504 1.369 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000104160680 671594705 /nfs/dbraw/zinc/59/47/05/671594705.db2.gz YSCJTOSLZMZALC-GOSISDBHSA-N 2 0 353.555 1.384 20 30 FDEDRP CC[NH+]=C(NC[C@@H]1CCC[N@H+](CC(C)C)C1)N1CCN(C(C)=O)CC1 ZINC000134207656 671826798 /nfs/dbraw/zinc/82/67/98/671826798.db2.gz ANMSAWRWNITWCO-SFHVURJKSA-N 2 0 351.539 1.484 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000246932375 672520765 /nfs/dbraw/zinc/52/07/65/672520765.db2.gz HCWIFCSRMDIEES-HUUCEWRRSA-N 2 0 353.511 1.775 20 30 FDEDRP CCC[NH+]1CCC(CNC(=[NH+]C)N2CCS(=O)(=O)C(C)(C)C2)CC1 ZINC000261947004 672699263 /nfs/dbraw/zinc/69/92/63/672699263.db2.gz GEMGTFZMMHXAOV-UHFFFAOYSA-N 2 0 358.552 1.193 20 30 FDEDRP C[NH+]=C(NCC(C)(C)N1CCC[C@@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261988886 672707485 /nfs/dbraw/zinc/70/74/85/672707485.db2.gz QVVDLFHRMHNVQO-OAHLLOKOSA-N 2 0 372.579 1.581 20 30 FDEDRP C[C@H]1C[NH+]=C(NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)N1 ZINC000262648056 672825107 /nfs/dbraw/zinc/82/51/07/672825107.db2.gz JRHPAODSSWJHKA-LBPRGKRZSA-N 2 0 355.408 1.895 20 30 FDEDRP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262830934 672851946 /nfs/dbraw/zinc/85/19/46/672851946.db2.gz ZYRGAXJQFUYPOH-XHSDSOJGSA-N 2 0 352.523 1.466 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(N2CCOCC2)CCCCC1 ZINC000303783083 676543062 /nfs/dbraw/zinc/54/30/62/676543062.db2.gz NWEKLCLDWZQHAW-KRWDZBQOSA-N 2 0 351.539 1.410 20 30 FDEDRP CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000329043948 676617355 /nfs/dbraw/zinc/61/73/55/676617355.db2.gz FGOWAPIYRGEEAL-JKSUJKDBSA-N 2 0 372.535 1.020 20 30 FDEDRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)C[C@H]1C ZINC000329806070 676657822 /nfs/dbraw/zinc/65/78/22/676657822.db2.gz AWMNZIZNJAYRBF-SJORKVTESA-N 2 0 354.539 1.942 20 30 FDEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329822320 676659227 /nfs/dbraw/zinc/65/92/27/676659227.db2.gz YYVFSKAULIKDEY-WBVHZDCISA-N 2 0 350.507 1.618 20 30 FDEDRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](C)C1 ZINC000330859771 676706835 /nfs/dbraw/zinc/70/68/35/676706835.db2.gz RIECHMXXOHQXFB-OKZBNKHCSA-N 2 0 354.539 1.798 20 30 FDEDRP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC000970013271 771199579 /nfs/dbraw/zinc/19/95/79/771199579.db2.gz RXZMHVVSAQSSJV-JHJVBQTASA-N 2 0 353.264 1.623 20 30 FDEDRP C[NH+](C)CC#CCNC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934037186 780652797 /nfs/dbraw/zinc/65/27/97/780652797.db2.gz CNQPMXIRKHXYHU-UHFFFAOYSA-N 2 0 374.445 1.033 20 30 FDEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001105097584 795265840 /nfs/dbraw/zinc/26/58/40/795265840.db2.gz RWZNQVYKVZDVAP-WOJBJXKFSA-N 2 0 363.546 1.977 20 30 FDEDRP C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nn1 ZINC001105244431 795539003 /nfs/dbraw/zinc/53/90/03/795539003.db2.gz WTMHHYDPMXJBIN-ZWKOTPCHSA-N 2 0 360.506 1.448 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cc(F)ccc3C#N)C2)CC[N@@H+]1C ZINC001026851840 799999627 /nfs/dbraw/zinc/99/96/27/799999627.db2.gz HOQQQOMMVDKKCV-ZRGWGRIASA-N 2 0 358.461 1.976 20 30 FDEDRP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC#Cc4ccc(F)cc4)C[C@H]32)CC[N@@H+]1C ZINC000978163261 805228054 /nfs/dbraw/zinc/22/80/54/805228054.db2.gz BLCIYEJCEBLYCI-WEUUYRGXSA-N 2 0 369.484 1.811 20 30 FDEDRP C[NH+]=C(NCCN1C(=O)Cc2ccccc21)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262426082 811465498 /nfs/dbraw/zinc/46/54/98/811465498.db2.gz COLCNZITHNASQN-SFHVURJKSA-N 2 0 369.513 1.711 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C)C(C)C ZINC000419425890 811935231 /nfs/dbraw/zinc/93/52/31/811935231.db2.gz QFRPQMLLNXNJAH-CEXWTWQISA-N 2 0 366.550 1.782 20 30 FDEDRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001087828437 822520682 /nfs/dbraw/zinc/52/06/82/822520682.db2.gz LGLQNSGOODQWFE-NZSAHSFTSA-N 2 0 370.497 1.988 20 30 FDEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccc(C#N)s3)CC[C@@H]2C1 ZINC001087908490 823744728 /nfs/dbraw/zinc/74/47/28/823744728.db2.gz DTYODQFUCIVSQP-RVKKMQEKSA-N 2 0 358.511 1.994 20 30 FDEDRP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ncn1 ZINC000329305828 824725296 /nfs/dbraw/zinc/72/52/96/824725296.db2.gz YLIDQWFYVKFRHG-XHSDSOJGSA-N 2 0 373.505 1.427 20 30 FDEDRP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCC[NH+]1C ZINC000329312899 824730755 /nfs/dbraw/zinc/73/07/55/824730755.db2.gz GPRSGQAJFCXVHK-YQVWRLOYSA-N 2 0 374.533 1.887 20 30 FDEDRP CCN(CC)C(=O)CN1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000329318528 824731939 /nfs/dbraw/zinc/73/19/39/824731939.db2.gz SUFVISGMISZDLS-INIZCTEOSA-N 2 0 365.522 1.013 20 30 FDEDRP CN1CCC(CNC(=O)CN2CCC(=O)NC2=O)([NH+]2CCCCC2)CC1 ZINC000329604095 824945701 /nfs/dbraw/zinc/94/57/01/824945701.db2.gz LPNDRXYQQOETAF-UHFFFAOYSA-N 2 0 365.478 1.675 20 30 FDEDRP C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000262407290 826410594 /nfs/dbraw/zinc/41/05/94/826410594.db2.gz OUFAPUULAQGDOO-VPWXQRGCSA-N 2 0 366.550 1.856 20 30 FDEDRP O[C@@H]1CC[C@@H]2C[NH+](CC#CC[N@@H+]3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700356 830424355 /nfs/dbraw/zinc/42/43/55/830424355.db2.gz NSGGCHZGCCPGOQ-CGXUPHRESA-N 2 0 360.542 1.956 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C(C)C)C[C@H]1O ZINC001105666485 843193982 /nfs/dbraw/zinc/19/39/82/843193982.db2.gz GBZGRPMXMQYWST-WIRSXHRWSA-N 2 0 359.514 1.072 20 30 FDEDRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001076462499 848213284 /nfs/dbraw/zinc/21/32/84/848213284.db2.gz XEKFZYLLTPDGDS-SLFFLAALSA-N 2 0 352.482 1.933 20 30 FDEDRP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106881524 881907899 /nfs/dbraw/zinc/90/78/99/881907899.db2.gz FFOFLTYNRLHEKI-VHDGCEQUSA-N 2 0 358.324 1.921 20 30 FDEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)C1 ZINC000271751816 869097659 /nfs/dbraw/zinc/09/76/59/869097659.db2.gz FWBKVGHPMTZAMQ-IBGZPJMESA-N 2 0 370.497 1.610 20 30 FDEDRP C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001106312602 874749135 /nfs/dbraw/zinc/74/91/35/874749135.db2.gz KKCXNRRVVFMTHF-KZNAEPCWSA-N 2 0 364.534 1.211 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001106378337 874989329 /nfs/dbraw/zinc/98/93/29/874989329.db2.gz MXLSXWQKSSXEAQ-BFYDXBDKSA-N 2 0 369.469 1.323 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999189034 912226353 /nfs/dbraw/zinc/22/63/53/912226353.db2.gz GLJRRLXLDHHNTC-AYOQOUSVSA-N 2 0 370.497 1.988 20 30 FDEDRP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129004558 884997186 /nfs/dbraw/zinc/99/71/86/884997186.db2.gz TXMLLQXNMMGASQ-MKXGPGLRSA-N 2 0 374.533 1.706 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000919052960 885251846 /nfs/dbraw/zinc/25/18/46/885251846.db2.gz WXNFJDXDUBSMIP-HKUYNNGSSA-N 2 0 364.534 1.520 20 30 FDEDRP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1C#N ZINC001034939554 885383881 /nfs/dbraw/zinc/38/38/81/885383881.db2.gz GBSSTDCMXAQQPM-ATZDWAIDSA-N 2 0 370.497 1.988 20 30 FDEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129053101 885583702 /nfs/dbraw/zinc/58/37/02/885583702.db2.gz RMLTYDHURHFNQH-NXHRZFHOSA-N 2 0 360.506 1.459 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](CC)c3ccccc3)C[C@H]2O)CC1 ZINC001078227169 898429313 /nfs/dbraw/zinc/42/93/13/898429313.db2.gz MFHBDFSILQVMFP-QHAWAJNXSA-N 2 0 369.509 1.644 20 30 FDEDRP C#CCC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079270356 902329818 /nfs/dbraw/zinc/32/98/18/902329818.db2.gz ODXHHUXLQGJBDU-CEXWTWQISA-N 2 0 359.514 1.291 20 30 FDEDRP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708567 907034290 /nfs/dbraw/zinc/03/42/90/907034290.db2.gz MMZNBKAGMOTAGL-IYWMVGAKSA-N 2 0 357.498 1.459 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC001082520077 908214783 /nfs/dbraw/zinc/21/47/83/908214783.db2.gz YYCUVZSBJKAWGA-BCXHYRKLSA-N 2 0 358.461 1.974 20 30 FDEDRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C)cc1C#N ZINC001082562151 908635262 /nfs/dbraw/zinc/63/52/62/908635262.db2.gz SBADCYGFHRYWES-DNVCBOLYSA-N 2 0 370.497 1.988 20 30 FDEDRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC001082861863 910523542 /nfs/dbraw/zinc/52/35/42/910523542.db2.gz QXSMPACCOHHGPV-IMFGXOCKSA-N 2 0 370.497 1.867 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccnn2C)CC1 ZINC001085432570 924678569 /nfs/dbraw/zinc/67/85/69/924678569.db2.gz FIZVKMSHJDUFRW-RTBURBONSA-N 2 0 357.502 1.282 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001129896058 938557339 /nfs/dbraw/zinc/55/73/39/938557339.db2.gz OUPBSMDEBDLOQN-KURKYZTESA-N 2 0 360.506 1.174 20 30 FDEDRP CCCCCCC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001130047638 938646892 /nfs/dbraw/zinc/64/68/92/938646892.db2.gz LRRMHGXMBFINRN-MSOLQXFVSA-N 2 0 364.538 1.932 20 30 FDEDRP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001130047824 938647213 /nfs/dbraw/zinc/64/72/13/938647213.db2.gz VMXDVDFTHANRMG-MSOLQXFVSA-N 2 0 362.522 1.708 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130602523 939914166 /nfs/dbraw/zinc/91/41/66/939914166.db2.gz GDCPKNUDUHCPPZ-XYJFISCASA-N 2 0 365.497 1.560 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130607639 939919317 /nfs/dbraw/zinc/91/93/17/939919317.db2.gz GQZTXMBGKOUWQU-QXAKKESOSA-N 2 0 359.518 1.611 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130632598 939936009 /nfs/dbraw/zinc/93/60/09/939936009.db2.gz IJCKAWOYBCGGGC-PKOBYXMFSA-N 2 0 371.529 1.592 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130712690 939999591 /nfs/dbraw/zinc/99/95/91/939999591.db2.gz HNMBIDCUNYEDMG-ZIFCJYIRSA-N 2 0 359.518 1.612 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130731483 940044871 /nfs/dbraw/zinc/04/48/71/940044871.db2.gz GOMLHLJHVWHRKH-PKOBYXMFSA-N 2 0 359.518 1.756 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1cncn1C ZINC001130994063 940416028 /nfs/dbraw/zinc/41/60/28/940416028.db2.gz CXRLGHKMSRXZJY-IPMKNSEASA-N 2 0 371.529 1.612 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1c1cncn1C ZINC001131015010 940448299 /nfs/dbraw/zinc/44/82/99/940448299.db2.gz LYBCWHMWBDCBQD-QZTJIDSGSA-N 2 0 371.529 1.756 20 30 FDEDRP C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001131313591 940553188 /nfs/dbraw/zinc/55/31/88/940553188.db2.gz XAMDWUYHISAGIB-ZACQAIPSSA-N 2 0 364.490 1.010 20 30 FDEDRP C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001170879646 943015618 /nfs/dbraw/zinc/01/56/18/943015618.db2.gz YXJZHUJCZJYCFG-IXDOHACOSA-N 2 0 352.523 1.284 20 30 FDEDRP N#Cc1ccc([C@H](O)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000819218083 943492328 /nfs/dbraw/zinc/49/23/28/943492328.db2.gz CMVVAUGKTJLZRO-NHCUHLMSSA-N 2 0 351.450 1.948 20 30 FDEDRP C#C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)C1CCOCC1 ZINC000823181825 945523202 /nfs/dbraw/zinc/52/32/02/945523202.db2.gz PAHKSOMGEZSPKT-OALUTQOASA-N 2 0 364.534 1.472 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1ccc(OC)cc1 ZINC001090872040 947466336 /nfs/dbraw/zinc/46/63/36/947466336.db2.gz CDBVBUSJFQKBNG-GEALJGNFSA-N 2 0 355.482 1.553 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1c1ccc(OC)cc1 ZINC001090884813 947649918 /nfs/dbraw/zinc/64/99/18/947649918.db2.gz MIKKUDAVYPIVKG-LEWJYISDSA-N 2 0 369.509 1.944 20 30 FDEDRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ccc(C#N)s3)C[C@@]2(C)C1 ZINC001091544203 951982667 /nfs/dbraw/zinc/98/26/67/951982667.db2.gz WHNHEWGMQRZRLB-LJHODMEESA-N 2 0 358.511 1.994 20 30 FDEDRP C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N(CC[NH+](CC)CC)C(N)=[NH2+] ZINC001146229188 952004630 /nfs/dbraw/zinc/00/46/30/952004630.db2.gz NIHKLFHNKVITOI-FZKQIMNGSA-N 2 0 367.494 1.520 20 30 FDEDRP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735804 952756094 /nfs/dbraw/zinc/75/60/94/952756094.db2.gz YFOQSXILGUIYGJ-LMNJBCLMSA-N 2 0 361.530 1.986 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1c1cnn(C)c1 ZINC001086992992 953025617 /nfs/dbraw/zinc/02/56/17/953025617.db2.gz AOHGDUJVWJSMAM-NZSAHSFTSA-N 2 0 357.502 1.059 20 30 FDEDRP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001091868802 953620846 /nfs/dbraw/zinc/62/08/46/953620846.db2.gz WFFWRADLQBDQMJ-DPJRVOCYSA-N 2 0 359.514 1.596 20 30 FDEDRP C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092504034 955275706 /nfs/dbraw/zinc/27/57/06/955275706.db2.gz HJTKMOXBFOMCMO-YVWKXTFCSA-N 2 0 357.473 1.956 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C(C)C)C[C@H]1O ZINC001093451996 958137157 /nfs/dbraw/zinc/13/71/57/958137157.db2.gz BKTYLMMXNDQHRS-SOAMZJECSA-N 2 0 359.514 1.214 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC001093673250 958515808 /nfs/dbraw/zinc/51/58/08/958515808.db2.gz NICVGAMOUMNFSI-POAQFYNOSA-N 2 0 370.497 1.867 20 30 FDEDRP C#C[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCO1 ZINC000773260387 960115389 /nfs/dbraw/zinc/11/53/89/960115389.db2.gz QTSMVQSXJKACFJ-RBUKOAKNSA-N 2 0 371.485 1.074 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+][C@H](C)c3ncccn3)[C@H](C)C2)CC1 ZINC001094239806 960158377 /nfs/dbraw/zinc/15/83/77/960158377.db2.gz DXUUCWSWGPVVDA-ZHALLVOQSA-N 2 0 369.513 1.567 20 30 FDEDRP C=C(C)CC[NH+]1CC(n2cc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)nn2)C1 ZINC001094293332 960256494 /nfs/dbraw/zinc/25/64/94/960256494.db2.gz KNQMLAPNUHRHDN-ZWKOTPCHSA-N 2 0 360.506 1.448 20 30 FDEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C3CCOCC3)CCC[C@@H]12 ZINC001094433094 960443036 /nfs/dbraw/zinc/44/30/36/960443036.db2.gz QDGNWPIXJPWUSI-SFHLNBCPSA-N 2 0 359.514 1.624 20 30 FDEDRP C=CCN1CCN(C)C2(CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)C1=O ZINC001172117145 961496790 /nfs/dbraw/zinc/49/67/90/961496790.db2.gz OXMVBSIUMKIGMD-REPLKXPHSA-N 2 0 360.546 1.796 20 30 FDEDRP N#Cc1ccc(C(=O)N2CCC(N3CC[NH+](CCCC[NH3+])CC3)CC2)cc1 ZINC001173429363 962146080 /nfs/dbraw/zinc/14/60/80/962146080.db2.gz QIANPCNEDLJRCG-UHFFFAOYSA-N 2 0 369.513 1.519 20 30 FDEDRP C=CCN1CC[C@H]([NH2+]CCCCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1=O ZINC001178522683 964273444 /nfs/dbraw/zinc/27/34/44/964273444.db2.gz ODEZXCUJHTYHMI-KURKYZTESA-N 2 0 364.534 1.380 20 30 FDEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001194962145 970560147 /nfs/dbraw/zinc/56/01/47/970560147.db2.gz VIFQYZWVXKRJBI-NSISKUIASA-N 2 0 359.514 1.920 20 30 FDEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CCCO1 ZINC001201454771 975054659 /nfs/dbraw/zinc/05/46/59/975054659.db2.gz RWFWGQQEJNPEMM-NJYVYQBISA-N 2 0 369.509 1.562 20 30 FDEDRP C[NH+]1CCN(c2cc(Nc3nc(C#N)c(C#N)nc3Cl)cc[nH+]2)CC1 ZINC001201658113 975118477 /nfs/dbraw/zinc/11/84/77/975118477.db2.gz RJFKNKWQPVCBGC-UHFFFAOYSA-N 2 0 354.805 1.764 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000867955802 977138474 /nfs/dbraw/zinc/13/84/74/977138474.db2.gz HDUSDGZBOGXZJX-ZCNNSNEGSA-N 2 0 368.481 1.505 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000332141506 983001297 /nfs/dbraw/zinc/00/12/97/983001297.db2.gz KRKUSILJWBLMRB-WMZOPIPTSA-N 2 0 362.518 1.086 20 30 FDEDRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884227511 983001895 /nfs/dbraw/zinc/00/18/95/983001895.db2.gz RGDSUEQJTKPIPW-LSNYBQGISA-N 2 0 352.482 1.859 20 30 FDEDRP C[C@@H]1C[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[N@@H+]1Cc1ccccc1 ZINC000884228758 983002834 /nfs/dbraw/zinc/00/28/34/983002834.db2.gz YLMDXVUYQDVRTQ-OPTGKZCPSA-N 2 0 352.482 1.905 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[C@H]1C[NH+](C)C ZINC000870018064 985519304 /nfs/dbraw/zinc/51/93/04/985519304.db2.gz VILIZJDLKHPRKN-YSTOQKLRSA-N 2 0 354.498 1.860 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)CC1 ZINC000370913299 990117112 /nfs/dbraw/zinc/11/71/12/990117112.db2.gz WDSXIKCXXIAEQT-HKUYNNGSSA-N 2 0 357.502 1.264 20 30 FDEDRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(OC)c(C#N)c3)C2)CC[N@@H+]1C ZINC000968738179 1015595245 /nfs/dbraw/zinc/59/52/45/1015595245.db2.gz QBSGRZTWMLOJBJ-CEXWTWQISA-N 2 0 370.497 1.988 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000876859808 992939798 /nfs/dbraw/zinc/93/97/98/992939798.db2.gz LYBISWSWVNSICR-GGPKGHCWSA-N 2 0 352.482 1.983 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000876918488 992966361 /nfs/dbraw/zinc/96/63/61/992966361.db2.gz ITBRBEBZIGGRIZ-SLFFLAALSA-N 2 0 368.481 1.490 20 30 FDEDRP N#CC[C@@]1(O)CC[NH+](CC(C[N@H+]2CC[C@](O)(CC#N)C2)C2CCCC2)C1 ZINC000878762327 994206012 /nfs/dbraw/zinc/20/60/12/994206012.db2.gz YIYDJCDWKPWKSX-WOJBJXKFSA-N 2 0 360.502 1.494 20 30 FDEDRP COCC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)CC1CC[NH+](C)CC1 ZINC000879122230 994555769 /nfs/dbraw/zinc/55/57/69/994555769.db2.gz JRZQCFWXHIAHPI-IBGZPJMESA-N 2 0 361.486 1.588 20 30 FDEDRP COc1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc1C#N ZINC000926187829 995968370 /nfs/dbraw/zinc/96/83/70/995968370.db2.gz FGKDQZLRXZYLDR-HDICACEKSA-N 2 0 369.469 1.999 20 30 FDEDRP C=C(C)CN(CC)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000286187077 999942672 /nfs/dbraw/zinc/94/26/72/999942672.db2.gz XFVMAYODROOOKI-UHFFFAOYSA-N 2 0 373.501 1.135 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000928649493 1001606941 /nfs/dbraw/zinc/60/69/41/1001606941.db2.gz NYBOLGCWEPOPHQ-INIZCTEOSA-N 2 0 366.506 1.045 20 30 FDEDRP C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000930137269 1002861765 /nfs/dbraw/zinc/86/17/65/1002861765.db2.gz QVURRWFAKWXBOS-WIYYLYMNSA-N 2 0 368.525 1.954 20 30 FDEDRP C[C@H](CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)C[NH+]1CCCC1 ZINC000089120519 1006010832 /nfs/dbraw/zinc/01/08/32/1006010832.db2.gz OXMCNTPFDXVSHL-CVEARBPZSA-N 2 0 365.522 1.599 20 30 FDEDRP COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@](C)(c1ccccc1)[NH+](C)C)C2 ZINC001111267974 1007405486 /nfs/dbraw/zinc/40/54/86/1007405486.db2.gz QEMPRCMQOXTPNB-JBPLPALLSA-N 2 0 369.509 1.835 20 30 FDEDRP COc1ccc(CNC(=[NH2+])NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1OC ZINC000303793255 1009588379 /nfs/dbraw/zinc/58/83/79/1009588379.db2.gz ZFQMRZXTACHXRS-MRXNPFEDSA-N 2 0 364.490 1.465 20 30 FDEDRP COc1cccc(NC(=[NH2+])NCc2ccnc(N3CC[NH+](C)CC3)c2)c1 ZINC000303891339 1009678098 /nfs/dbraw/zinc/67/80/98/1009678098.db2.gz NAQWSNMBSWBABM-UHFFFAOYSA-N 2 0 354.458 1.769 20 30 FDEDRP C[NH+]1CCC(N2CCC([NH2+]C[C@H](O)COc3ccccc3C#N)CC2)CC1 ZINC000530231369 539915137 /nfs/dbraw/zinc/91/51/37/539915137.db2.gz PXFKLUMCKVYGKK-FQEVSTJZSA-N 2 0 372.513 1.446 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000559833026 544812685 /nfs/dbraw/zinc/81/26/85/544812685.db2.gz ICQRESSMSOWGSY-KRWDZBQOSA-N 2 0 364.534 1.524 20 30 FDEDRP Cn1ccnc1C[C@@H]1CCCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000367379302 260033095 /nfs/dbraw/zinc/03/30/95/260033095.db2.gz ZTEZNBVGPWEKIF-HNNXBMFYSA-N 2 0 373.482 1.415 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000074130164 522687564 /nfs/dbraw/zinc/68/75/64/522687564.db2.gz GIOMIWYASNFDIJ-GOSISDBHSA-N 2 0 352.523 1.779 20 30 FDEDRP C[NH+]1CCC(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)CC1 ZINC000089120661 524476907 /nfs/dbraw/zinc/47/69/07/524476907.db2.gz BPNLXPVIQPWJFU-OAHLLOKOSA-N 2 0 351.495 1.209 20 30 FDEDRP C[NH+]=C(NCc1ccc(C(N)=O)o1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000151741114 524669254 /nfs/dbraw/zinc/66/92/54/524669254.db2.gz BPEAKHHPPYAHMO-UHFFFAOYSA-N 2 0 361.490 1.841 20 30 FDEDRP C[N@@H+]1CCCN(CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1 ZINC000160680925 524946739 /nfs/dbraw/zinc/94/67/39/524946739.db2.gz QSBMITBPFODGEA-UHFFFAOYSA-N 2 0 359.396 1.949 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(CN2CCCC2=O)cc1 ZINC000104165624 525396969 /nfs/dbraw/zinc/39/69/69/525396969.db2.gz KTEGXERPUJDBPA-GOSISDBHSA-N 2 0 357.502 1.698 20 30 FDEDRP CC[NH+](CC)CCOc1ccc(CNC(=[NH2+])N2CCOCC2)cc1OC ZINC000104165899 525397670 /nfs/dbraw/zinc/39/76/70/525397670.db2.gz BVOBREROPIKAHH-UHFFFAOYSA-N 2 0 364.490 1.563 20 30 FDEDRP COc1ccc(NC(=[NH2+])NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000104167709 525397998 /nfs/dbraw/zinc/39/79/98/525397998.db2.gz HTSDJQRVJYDDBO-GOSISDBHSA-N 2 0 354.454 1.841 20 30 FDEDRP COc1ccc(CNC(=[NH2+])NCCC[N@@H+]2CCCN(C)CC2)cc1OC ZINC000104183201 525398190 /nfs/dbraw/zinc/39/81/90/525398190.db2.gz AZDRKLSMARFVCW-UHFFFAOYSA-N 2 0 363.506 1.136 20 30 FDEDRP C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182571748 535827126 /nfs/dbraw/zinc/82/71/26/535827126.db2.gz GDFMURGIZSGBIJ-WRURNZQNSA-N 2 0 360.546 1.818 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(NC[C@H]2CCc3nnc(C)n3C2)=[NH+]C)CC1 ZINC000262830913 536913252 /nfs/dbraw/zinc/91/32/52/536913252.db2.gz ZYJGVDISZLEVJC-MRXNPFEDSA-N 2 0 359.522 1.354 20 30 FDEDRP [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000266995244 536945936 /nfs/dbraw/zinc/94/59/36/536945936.db2.gz XFBLSAUMBHPMNF-OAHLLOKOSA-N 2 0 358.408 1.957 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000304997976 537598841 /nfs/dbraw/zinc/59/88/41/537598841.db2.gz AQEGLZWOELPQGL-RTBURBONSA-N 2 0 371.529 1.466 20 30 FDEDRP CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000563012720 546354465 /nfs/dbraw/zinc/35/44/65/546354465.db2.gz VLIBWDBYTYNKPL-SFHVURJKSA-N 2 0 360.502 1.456 20 30 FDEDRP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)CC1 ZINC000567806414 548266779 /nfs/dbraw/zinc/26/67/79/548266779.db2.gz FDYBXVCJXXUZDY-SFHVURJKSA-N 2 0 359.474 1.272 20 30 FDEDRP C[NH+](C)CC1CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000573556921 550163350 /nfs/dbraw/zinc/16/33/50/550163350.db2.gz KALGJHFNYNEGNA-UHFFFAOYSA-N 2 0 350.488 1.437 20 30 FDEDRP C=CCOc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000577267925 550638323 /nfs/dbraw/zinc/63/83/23/550638323.db2.gz SPJZRCGHHXSMBP-RTBURBONSA-N 2 0 370.497 1.972 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000579866924 550918659 /nfs/dbraw/zinc/91/86/59/550918659.db2.gz NMQVPVHISJSFPC-UHFFFAOYSA-N 2 0 364.534 1.333 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@@H]3CCCC[NH2+]3)CC2)c1 ZINC000593710403 552179445 /nfs/dbraw/zinc/17/94/45/552179445.db2.gz GDSFPPWQUQRSNU-IBGZPJMESA-N 2 0 355.486 1.964 20 30 FDEDRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593719847 552182124 /nfs/dbraw/zinc/18/21/24/552182124.db2.gz IODRGQCFDXWCJL-CRAIPNDOSA-N 2 0 355.486 1.901 20 30 FDEDRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594439046 552310458 /nfs/dbraw/zinc/31/04/58/552310458.db2.gz NGCGYSKSNDXMRU-INIZCTEOSA-N 2 0 365.522 1.141 20 30 FDEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000594450043 552312799 /nfs/dbraw/zinc/31/27/99/552312799.db2.gz RJHMSKOSHCYKIW-KRWDZBQOSA-N 2 0 372.517 1.994 20 30 FDEDRP CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc(CN2CCOCC2)cc(C#N)c1=O ZINC000596284803 552670877 /nfs/dbraw/zinc/67/08/77/552670877.db2.gz FJXUEWBCHLZRNH-LJQANCHMSA-N 2 0 358.486 1.815 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H]3CC34CC[NH2+]CC4)CC2)c1 ZINC000597444007 552790059 /nfs/dbraw/zinc/79/00/59/552790059.db2.gz VHVYTEAZVKHTRF-IBGZPJMESA-N 2 0 367.497 1.964 20 30 FDEDRP N#CC1(C[C@@H](O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CCOCC1 ZINC000599275741 553012453 /nfs/dbraw/zinc/01/24/53/553012453.db2.gz VNGMSCZCCIWBRS-LJQANCHMSA-N 2 0 365.518 1.492 20 30 FDEDRP C[C@@H]1CC[C@@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[NH2+]1 ZINC000599921906 553174771 /nfs/dbraw/zinc/17/47/71/553174771.db2.gz FERFTFKVVSAWTP-DNVCBOLYSA-N 2 0 355.486 1.962 20 30 FDEDRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@H](O)COc3ccccc3C#N)C2)CC1 ZINC000600724680 553307433 /nfs/dbraw/zinc/30/74/33/553307433.db2.gz HDHAXOMILGNOFQ-MJGOQNOKSA-N 2 0 358.486 1.056 20 30 FDEDRP COC[C@]1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCCC[NH2+]1 ZINC000602522612 553597839 /nfs/dbraw/zinc/59/78/39/553597839.db2.gz UMQQJXIQUBKPBP-NRFANRHFSA-N 2 0 370.497 1.798 20 30 FDEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000619612606 555809057 /nfs/dbraw/zinc/80/90/57/555809057.db2.gz LGSYFMUPKMXRIR-UHFFFAOYSA-N 2 0 354.458 1.309 20 30 FDEDRP CC[NH+]=C(NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)N1CCN(C(C)=O)CC1 ZINC000103893785 671593275 /nfs/dbraw/zinc/59/32/75/671593275.db2.gz GYOGWTZAQVXDBA-MRXNPFEDSA-N 2 0 351.539 1.627 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000104160684 671594830 /nfs/dbraw/zinc/59/48/30/671594830.db2.gz YSCJTOSLZMZALC-SFHVURJKSA-N 2 0 353.555 1.384 20 30 FDEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N[C@@H]1CCN(CCOC)C1 ZINC000261654704 672644032 /nfs/dbraw/zinc/64/40/32/672644032.db2.gz FIXBLNAJAFPWTG-TWMKSMIVSA-N 2 0 350.507 1.220 20 30 FDEDRP C[NH+]=C(NC[C@H](C)N1CC[NH+](C)CC1)N(C)Cc1cc(Cl)cn1C ZINC000261961053 672702970 /nfs/dbraw/zinc/70/29/70/672702970.db2.gz KFHUZVTWOREZMG-AWEZNQCLSA-N 2 0 354.930 1.322 20 30 FDEDRP CC[NH+]=C(NCCN1CCOC[C@@H]1C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262434946 672789142 /nfs/dbraw/zinc/78/91/42/672789142.db2.gz FZVTZFMQFKRTEU-ROUUACIJSA-N 2 0 351.539 1.233 20 30 FDEDRP C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000373872716 678067987 /nfs/dbraw/zinc/06/79/87/678067987.db2.gz SBFIHXCMHPLJGD-JZXOWHBKSA-N 2 0 350.507 1.435 20 30 FDEDRP C[NH+](C)CCCN(CCC#N)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412179699 679162669 /nfs/dbraw/zinc/16/26/69/679162669.db2.gz VFOXAVPWPPJOAE-QGZVFWFLSA-N 2 0 352.548 1.898 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419729267 680339971 /nfs/dbraw/zinc/33/99/71/680339971.db2.gz OIGSUTXTABYLAK-MRXNPFEDSA-N 2 0 350.507 1.038 20 30 FDEDRP C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000425862116 680937134 /nfs/dbraw/zinc/93/71/34/680937134.db2.gz WWPBDLYOZLQROI-BZSNNMDCSA-N 2 0 352.523 1.635 20 30 FDEDRP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncc3c(c2C#N)CCC[NH2+]C3)C1 ZINC001164731244 720505399 /nfs/dbraw/zinc/50/53/99/720505399.db2.gz OQHPPGBYWZYWRJ-HNNXBMFYSA-N 2 0 365.485 1.384 20 30 FDEDRP C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001164921618 721848302 /nfs/dbraw/zinc/84/83/02/721848302.db2.gz OPQYKBXDOFSGQS-MOPGFXCFSA-N 2 0 354.502 1.204 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000892232966 782387950 /nfs/dbraw/zinc/38/79/50/782387950.db2.gz RCOUOPLQSLZNJY-KDURUIRLSA-N 2 0 353.470 1.668 20 30 FDEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001104287661 773065398 /nfs/dbraw/zinc/06/53/98/773065398.db2.gz JKQBSXMSLNSORA-AQNXPRMDSA-N 2 0 363.546 1.688 20 30 FDEDRP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001105017101 794933666 /nfs/dbraw/zinc/93/36/66/794933666.db2.gz PCDCADBXBXEIBG-CEXWTWQISA-N 2 0 367.534 1.232 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000660597624 800696128 /nfs/dbraw/zinc/69/61/28/800696128.db2.gz SEVUUKKDLOHHJO-SFHVURJKSA-N 2 0 350.507 1.579 20 30 FDEDRP C=CC[C@@]1(C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)CCC[NH2+]1 ZINC000662723035 802902888 /nfs/dbraw/zinc/90/28/88/802902888.db2.gz BPHPHNZPQVXMIY-FQEVSTJZSA-N 2 0 358.486 1.293 20 30 FDEDRP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC#Cc4ccccc4)C[C@H]32)CC[N@@H+]1C ZINC000978185374 805284853 /nfs/dbraw/zinc/28/48/53/805284853.db2.gz VVKVNUIPGXZHJR-MLZLACJZSA-N 2 0 351.494 1.672 20 30 FDEDRP C[NH+]=C(NCc1cccnc1-n1ccnc1C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261931061 811347194 /nfs/dbraw/zinc/34/71/94/811347194.db2.gz BJIIUCFFADJUOR-CRAIPNDOSA-N 2 0 369.517 1.969 20 30 FDEDRP C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261950656 811351719 /nfs/dbraw/zinc/35/17/19/811351719.db2.gz HFULITKRKZSQSN-QFBILLFUSA-N 2 0 371.529 1.465 20 30 FDEDRP C[NH+]=C(NCc1ccnc(N2CC[NH+](C)CC2)c1)N(C)Cc1cccn1C ZINC000261942034 817005055 /nfs/dbraw/zinc/00/50/55/817005055.db2.gz DRSXGFSZKLGMDY-UHFFFAOYSA-N 2 0 369.517 1.379 20 30 FDEDRP C#CC[NH+]1CCC(Nc2cc(NC3CC[NH+](CC#C)CC3)[nH+]c(C)n2)CC1 ZINC000895809530 822747908 /nfs/dbraw/zinc/74/79/08/822747908.db2.gz YZVONCHWTYKIKD-UHFFFAOYSA-N 3 0 366.513 1.804 20 30 FDEDRP C[NH+]1CCC(C)(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000329349083 824749260 /nfs/dbraw/zinc/74/92/60/824749260.db2.gz SMADLEJWDKBWKW-QZTJIDSGSA-N 2 0 366.550 1.990 20 30 FDEDRP N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)s1 ZINC001088200957 827441654 /nfs/dbraw/zinc/44/16/54/827441654.db2.gz DBFWGXRCXKFNGB-CVEARBPZSA-N 2 0 358.511 1.996 20 30 FDEDRP C#CC[NH+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC001088234507 827598227 /nfs/dbraw/zinc/59/82/27/827598227.db2.gz UTKJUKWRSXTQKC-HSALFYBXSA-N 2 0 361.530 1.679 20 30 FDEDRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](O)COc3ccccc3C#N)C2)CC1 ZINC000528375897 829369064 /nfs/dbraw/zinc/36/90/64/829369064.db2.gz DOPFPVUWHKTDBG-RBUKOAKNSA-N 2 0 358.486 1.010 20 30 FDEDRP [NH2+]=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CCN(c2ncccn2)CC1 ZINC000262685450 830159201 /nfs/dbraw/zinc/15/92/01/830159201.db2.gz AGGWRMKMDYCKBB-GOSISDBHSA-N 2 0 371.533 1.710 20 30 FDEDRP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)NC[C@]1(C)CCCC[C@H]1O ZINC000262777845 831381056 /nfs/dbraw/zinc/38/10/56/831381056.db2.gz JYSGQSJMJPSVCO-MJGOQNOKSA-N 2 0 366.550 1.738 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)COCC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105668746 844091177 /nfs/dbraw/zinc/09/11/77/844091177.db2.gz ZACDKOMKUANLKP-HNBVOPMISA-N 2 0 367.534 1.107 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCCC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105668808 844096532 /nfs/dbraw/zinc/09/65/32/844096532.db2.gz NATFMXCFMMHVON-VURPSTOHSA-N 2 0 363.546 1.708 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000480979221 845995925 /nfs/dbraw/zinc/99/59/25/845995925.db2.gz LOKIPFHJJLFDFR-IXDOHACOSA-N 2 0 364.534 1.236 20 30 FDEDRP CCOCCC[NH+]=C(NC[C@H](C)N1CC[NH+](CC)CC1)NC(C)(C)C ZINC000912498793 859826920 /nfs/dbraw/zinc/82/69/20/859826920.db2.gz HXTJZHRFEKNVMT-KRWDZBQOSA-N 2 0 355.571 1.773 20 30 FDEDRP C#CCN(C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)C1CC[NH+](C)CC1 ZINC000914298830 872229713 /nfs/dbraw/zinc/22/97/13/872229713.db2.gz HEHITUAFDRSMGZ-IBGZPJMESA-N 2 0 356.514 1.898 20 30 FDEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001106472428 875551766 /nfs/dbraw/zinc/55/17/66/875551766.db2.gz YYZPRYOTJKKNBK-UYAOXDASSA-N 2 0 371.525 1.738 20 30 FDEDRP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106666860 876478916 /nfs/dbraw/zinc/47/89/16/876478916.db2.gz XKKRTNNCKACKSS-UMVBOHGHSA-N 2 0 358.324 1.921 20 30 FDEDRP C#CC[NH+](C)CCCNC(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000922626538 878843837 /nfs/dbraw/zinc/84/38/37/878843837.db2.gz BWCXIIUKGIBIMS-SOAMZJECSA-N 2 0 364.534 1.111 20 30 FDEDRP C[NH+]1CCN(C(=N)Nc2nc3cc(C#N)c(C#N)cc3nc2Cl)CC1 ZINC001168735882 879519465 /nfs/dbraw/zinc/51/94/65/879519465.db2.gz HTQLHUJMMFXZCC-UHFFFAOYSA-N 2 0 354.805 1.621 20 30 FDEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129053100 885582815 /nfs/dbraw/zinc/58/28/15/885582815.db2.gz RMLTYDHURHFNQH-JQHSSLGASA-N 2 0 360.506 1.459 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)C(C)C ZINC000671082063 896162461 /nfs/dbraw/zinc/16/24/61/896162461.db2.gz QPFZBSZDSZVMQO-SJORKVTESA-N 2 0 350.507 1.012 20 30 FDEDRP C=C(C)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)nn2)C1 ZINC000999987537 896520299 /nfs/dbraw/zinc/52/02/99/896520299.db2.gz PLWCSOFAOHLZFT-FGTMMUONSA-N 2 0 360.506 1.448 20 30 FDEDRP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106983953 897518431 /nfs/dbraw/zinc/51/84/31/897518431.db2.gz QOAJPQTWTVGJSA-QZTJIDSGSA-N 2 0 364.534 1.191 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ccccc3)C[C@H]2O)CC1 ZINC001078227052 898427754 /nfs/dbraw/zinc/42/77/54/898427754.db2.gz GZWZGUVVSFSYAX-PWIZWCRZSA-N 2 0 355.482 1.254 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3ccc(C#N)cc3)C2)CC[N@@H+]1C ZINC001078405418 898748576 /nfs/dbraw/zinc/74/85/76/898748576.db2.gz MQUNDXMUKHLGBQ-NSISKUIASA-N 2 0 370.497 1.606 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CCOCC(F)F)[C@H](C)C2)CC1 ZINC001107034342 899837893 /nfs/dbraw/zinc/83/78/93/899837893.db2.gz VYNURKZQGNDKNM-NVXWUHKLSA-N 2 0 371.472 1.297 20 30 FDEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001107037496 900018084 /nfs/dbraw/zinc/01/80/84/900018084.db2.gz MFQVYCYKYXBDDQ-QRVBRYPASA-N 2 0 351.535 1.994 20 30 FDEDRP C=C(C)C[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079135902 902003338 /nfs/dbraw/zinc/00/33/38/902003338.db2.gz UHPOBMYIMBFKHL-CWJKEVGVSA-N 2 0 371.525 1.977 20 30 FDEDRP C=CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546827 905522046 /nfs/dbraw/zinc/52/20/46/905522046.db2.gz QMWLJTBKHQSELK-MBOZVWFJSA-N 2 0 362.518 1.134 20 30 FDEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@H](OC)C1 ZINC001082160021 906088520 /nfs/dbraw/zinc/08/85/20/906088520.db2.gz YGCNKJXHXICIME-IYWMVGAKSA-N 2 0 355.482 1.171 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@H]2C)CC1 ZINC001080998361 906975915 /nfs/dbraw/zinc/97/59/15/906975915.db2.gz YZUFAAAYFAMDNI-DNVCBOLYSA-N 2 0 357.502 1.010 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC001082447623 907808915 /nfs/dbraw/zinc/80/89/15/907808915.db2.gz HUMBCEJVNQIZNR-ATZDWAIDSA-N 2 0 356.470 1.620 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082515692 908186338 /nfs/dbraw/zinc/18/63/38/908186338.db2.gz VDKUXAQWELNJHO-HEFCMCLBSA-N 2 0 370.472 1.976 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001082515796 908188249 /nfs/dbraw/zinc/18/82/49/908188249.db2.gz ZBXSUBRIIAZVJA-LXGCGDOSSA-N 2 0 370.472 1.976 20 30 FDEDRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001082923635 910937644 /nfs/dbraw/zinc/93/76/44/910937644.db2.gz VBKYEIHKTFZBLF-MBOZVWFJSA-N 2 0 370.497 1.463 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccn(C)n2)CC1 ZINC001085432695 924679803 /nfs/dbraw/zinc/67/98/03/924679803.db2.gz KVROWGNMQFBVLR-RTBURBONSA-N 2 0 357.502 1.282 20 30 FDEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129454126 938421454 /nfs/dbraw/zinc/42/14/54/938421454.db2.gz WIGOGEBMQMZWGT-MSOLQXFVSA-N 2 0 360.506 1.462 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129892345 938543253 /nfs/dbraw/zinc/54/32/53/938543253.db2.gz SJTOBGNBIUAVFB-KSZLIROESA-N 2 0 360.506 1.459 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@@H]1n1ccnn1 ZINC001129945803 938581121 /nfs/dbraw/zinc/58/11/21/938581121.db2.gz XFZLOWMRTCRNOQ-SJORKVTESA-N 2 0 360.506 1.460 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1cn(C)cn1 ZINC001130596976 939903892 /nfs/dbraw/zinc/90/38/92/939903892.db2.gz WWJHRZKCZCZTFW-CMKODMSKSA-N 2 0 371.529 1.612 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1c1cn(C)cn1 ZINC001130604500 939915644 /nfs/dbraw/zinc/91/56/44/939915644.db2.gz DKYUICHSKIIRNL-UHOSZYNNSA-N 2 0 359.518 1.755 20 30 FDEDRP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCC[NH+](C)C)n2)O1 ZINC001130817317 940221611 /nfs/dbraw/zinc/22/16/11/940221611.db2.gz LSTUHKPMCNEOMP-LSDHHAIUSA-N 2 0 364.494 1.149 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1c1cncn1C ZINC001131022985 940456440 /nfs/dbraw/zinc/45/64/40/940456440.db2.gz MUURCWUIKMCJLI-QZTJIDSGSA-N 2 0 368.485 1.412 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@H]1c1cncn1C ZINC001131091264 940495563 /nfs/dbraw/zinc/49/55/63/940495563.db2.gz CLMXWGZKXCYBRQ-ZHALLVOQSA-N 2 0 361.534 1.857 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cncn1C ZINC001131108319 940502715 /nfs/dbraw/zinc/50/27/15/940502715.db2.gz PEOJMVVSUHBCQX-IAGOWNOFSA-N 2 0 357.502 1.366 20 30 FDEDRP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001131584908 940770363 /nfs/dbraw/zinc/77/03/63/940770363.db2.gz HZOZMILNOSAKMQ-CTNGQTDRSA-N 2 0 361.530 1.727 20 30 FDEDRP C#CC[N@@H+](C)CCCNC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000818599384 943327809 /nfs/dbraw/zinc/32/78/09/943327809.db2.gz NJSNOLVXVKIIPK-KRWDZBQOSA-N 2 0 360.477 1.408 20 30 FDEDRP N#Cc1ccc([C@@H](O)C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000818987854 943374204 /nfs/dbraw/zinc/37/42/04/943374204.db2.gz AGDWSAKJQJMWAU-NRFANRHFSA-N 2 0 365.481 1.789 20 30 FDEDRP NC(=O)c1ccc(C(=[NH2+])Nc2cccc3nc([C@@H]4C[NH2+]CCO4)cn32)cc1 ZINC001171258511 951725724 /nfs/dbraw/zinc/72/57/24/951725724.db2.gz BDWXSEGABJFSGJ-HNNXBMFYSA-N 2 0 364.409 1.131 20 30 FDEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735077 952754142 /nfs/dbraw/zinc/75/41/42/952754142.db2.gz IDEBNXWNHDDCNP-LMNJBCLMSA-N 2 0 359.514 1.433 20 30 FDEDRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ccc(F)c(C#N)c4)C[C@@]3(C)C2)C1 ZINC001092272257 954651997 /nfs/dbraw/zinc/65/19/97/954651997.db2.gz BGYYTRPVAKUDKN-CDXJDZJCSA-N 2 0 370.472 1.929 20 30 FDEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092615757 955824772 /nfs/dbraw/zinc/82/47/72/955824772.db2.gz OYNSVWVDHUYHOI-AFYVEPGGSA-N 2 0 361.530 1.441 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)/C=C/c2ccc(F)cc2)C[C@H]1C[NH+](C)C ZINC001171394107 957355096 /nfs/dbraw/zinc/35/50/96/957355096.db2.gz YGWRUGCTBQGZDS-JSMQFAGNSA-N 2 0 361.461 1.606 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]2C)CC1 ZINC001093224483 957855294 /nfs/dbraw/zinc/85/52/94/957855294.db2.gz YQMRYUZCKYPSOU-MISYRCLQSA-N 2 0 361.530 1.585 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@H]2C(C)C)C[C@H]1O ZINC001093458902 958286649 /nfs/dbraw/zinc/28/66/49/958286649.db2.gz HURDAHYNLKLMFL-WIRSXHRWSA-N 2 0 361.530 1.460 20 30 FDEDRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001094169083 959960127 /nfs/dbraw/zinc/96/01/27/959960127.db2.gz BUCBNYQQYJERPW-VQIMIIECSA-N 2 0 352.482 1.838 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001094219070 960035356 /nfs/dbraw/zinc/03/53/56/960035356.db2.gz CHBQCTBLWGZTSZ-ZTFGCOKTSA-N 2 0 358.461 1.833 20 30 FDEDRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001094220910 960045712 /nfs/dbraw/zinc/04/57/12/960045712.db2.gz CIKHTTMZFXTVCZ-CRAIPNDOSA-N 2 0 358.461 1.977 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3cscn3)[C@H](C)C2)CC1 ZINC001094240088 960159461 /nfs/dbraw/zinc/15/94/61/960159461.db2.gz NQCZJZHULBKNPE-NVXWUHKLSA-N 2 0 360.527 1.672 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](C[C@@H](C)OC)CC3)CC1 ZINC001094581461 960879797 /nfs/dbraw/zinc/87/97/97/960879797.db2.gz BOXKTESDZWMQJG-YFVAEKQCSA-N 2 0 361.530 1.727 20 30 FDEDRP C=C(C)CN(CC)C(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190237980 967683431 /nfs/dbraw/zinc/68/34/31/967683431.db2.gz GQYABXXPMZSCOJ-FGTMMUONSA-N 2 0 364.534 1.284 20 30 FDEDRP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194103073 970018920 /nfs/dbraw/zinc/01/89/20/970018920.db2.gz UFWPHZQPWBIWER-QZTJIDSGSA-N 2 0 369.550 1.477 20 30 FDEDRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001197996828 972670516 /nfs/dbraw/zinc/67/05/16/972670516.db2.gz IFDJXWJPZJGSNC-QZTJIDSGSA-N 2 0 362.449 1.091 20 30 FDEDRP O=C(C#Cc1cccs1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000825537147 976249829 /nfs/dbraw/zinc/24/98/29/976249829.db2.gz ZCSLXZBWFJXBJT-UHFFFAOYSA-N 2 0 354.479 1.823 20 30 FDEDRP CC(C)(C)[NH2+]CCCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000849086657 977308032 /nfs/dbraw/zinc/30/80/32/977308032.db2.gz ICULMSWCJZSXJT-AWEZNQCLSA-N 2 0 353.511 1.645 20 30 FDEDRP C[N@@H+]1CCC[C@H](CCNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000849115601 977327910 /nfs/dbraw/zinc/32/79/10/977327910.db2.gz AOIPCIYVIQQHFS-CVEARBPZSA-N 2 0 365.522 1.599 20 30 FDEDRP C=CCNc1ncc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)s1 ZINC000881020976 979589248 /nfs/dbraw/zinc/58/92/48/979589248.db2.gz TYKUCKJAKVGQSL-ZIAGYGMSSA-N 2 0 351.520 1.552 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000361576290 988417561 /nfs/dbraw/zinc/41/75/61/988417561.db2.gz NYBLXTYYIJZNQR-MJGOQNOKSA-N 2 0 364.534 1.827 20 30 FDEDRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(C#N)ccc3OC)C2)CC[N@@H+]1C ZINC000968738503 1015596117 /nfs/dbraw/zinc/59/61/17/1015596117.db2.gz XRJFDIVPJFMCMV-CEXWTWQISA-N 2 0 370.497 1.988 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000264114002 997404339 /nfs/dbraw/zinc/40/43/39/997404339.db2.gz PNMMQGJHENIHCL-NVXWUHKLSA-N 2 0 360.506 1.195 20 30 FDEDRP CC(C)C[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000269480373 999468707 /nfs/dbraw/zinc/46/87/07/999468707.db2.gz WGZAWNZIAZUVRN-QGZVFWFLSA-N 2 0 359.522 1.281 20 30 FDEDRP C=CCCCCNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000286164494 999942647 /nfs/dbraw/zinc/94/26/47/999942647.db2.gz WDTLKZGJSFORHI-UHFFFAOYSA-N 2 0 373.501 1.182 20 30 FDEDRP CC(C)[NH+](CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)C(C)C ZINC000089120012 1006010621 /nfs/dbraw/zinc/01/06/21/1006010621.db2.gz NEYXUBODFPWKDF-MRXNPFEDSA-N 2 0 367.538 1.986 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccc(C)cc1)N1CCOCC1 ZINC000303867187 1009643566 /nfs/dbraw/zinc/64/35/66/1009643566.db2.gz CTKXAOQDPLVQRI-UXHICEINSA-N 2 0 373.545 1.757 20 30 FDEDRP CC[N@@H+]1CCCC[C@@H]1CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000304995449 1010687730 /nfs/dbraw/zinc/68/77/30/1010687730.db2.gz FOKVNPFQRNMOLZ-HZPDHXFCSA-N 2 0 365.522 1.741 20 30 FDEDRP COC[C@H](C)NC(=[NH2+])NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000305721513 1012041349 /nfs/dbraw/zinc/04/13/49/1012041349.db2.gz BRPSDEKACCSQKL-INIZCTEOSA-N 2 0 359.518 1.658 20 30 FDEDRP COC[C@@H](C)NC(=[NH2+])NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000305721514 1012041681 /nfs/dbraw/zinc/04/16/81/1012041681.db2.gz BRPSDEKACCSQKL-MRXNPFEDSA-N 2 0 359.518 1.658 20 30 FDEDRP C[NH+]1CCC(N2CCC([NH2+]C[C@@H](O)COc3ccccc3C#N)CC2)CC1 ZINC000530231372 539915548 /nfs/dbraw/zinc/91/55/48/539915548.db2.gz PXFKLUMCKVYGKK-HXUWFJFHSA-N 2 0 372.513 1.446 20 30 FDEDRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000552413299 543463707 /nfs/dbraw/zinc/46/37/07/543463707.db2.gz VIAYCLNXRPOKCD-UHFFFAOYSA-N 2 0 364.453 1.874 20 30 FDEDRP CC[NH+]1CCN(CCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CC1 ZINC000081300857 172186770 /nfs/dbraw/zinc/18/67/70/172186770.db2.gz BFBIFQXWZJJMMY-UHFFFAOYSA-N 2 0 371.529 1.476 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000083216798 524244457 /nfs/dbraw/zinc/24/44/57/524244457.db2.gz FCCPUEBITXCQJL-UHFFFAOYSA-N 2 0 350.507 1.533 20 30 FDEDRP C=CCN(CC=C)CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000114723834 524861319 /nfs/dbraw/zinc/86/13/19/524861319.db2.gz VCTOIHQPNUZKMH-UHFFFAOYSA-N 2 0 355.482 1.940 20 30 FDEDRP C[C@H]1C[NH+](CCC2CC[NH+](CCC(=O)N(C)CCC#N)CC2)C[C@H](C)O1 ZINC000092799855 524918081 /nfs/dbraw/zinc/91/80/81/524918081.db2.gz AUMAKIDIANJVOY-ROUUACIJSA-N 2 0 364.534 1.960 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1CN1CCOCC1 ZINC000104156847 525397492 /nfs/dbraw/zinc/39/74/92/525397492.db2.gz OGOFDFQYMYSJBW-IBGZPJMESA-N 2 0 359.518 1.407 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000180873077 525767855 /nfs/dbraw/zinc/76/78/55/525767855.db2.gz VYVITKKOPRVWIJ-OAQYLSRUSA-N 2 0 369.509 1.605 20 30 FDEDRP C=CCS(=O)(=O)CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000272871902 537353273 /nfs/dbraw/zinc/35/32/73/537353273.db2.gz STQHPYUPYSAXBM-UHFFFAOYSA-N 2 0 365.543 1.907 20 30 FDEDRP Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000329924400 537646663 /nfs/dbraw/zinc/64/66/63/537646663.db2.gz UZYULXWDADWLQG-UXLLHSPISA-N 2 0 364.469 1.073 20 30 FDEDRP C=CCN(C(=O)c1[nH]nc2c1C[NH2+]CC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372462976 537957477 /nfs/dbraw/zinc/95/74/77/537957477.db2.gz JOQPAQZXXZNUQB-KRWDZBQOSA-N 2 0 365.481 1.958 20 30 FDEDRP N#Cc1ccc(N2CCC([NH2+]CCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2)cc1 ZINC000560526437 545535868 /nfs/dbraw/zinc/53/58/68/545535868.db2.gz GUUARKSBOXJCQL-GOSISDBHSA-N 2 0 369.513 1.704 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000579389059 550868552 /nfs/dbraw/zinc/86/85/52/550868552.db2.gz XMKXCZFETACVFM-FUHWJXTLSA-N 2 0 364.534 1.332 20 30 FDEDRP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC000593714542 552180858 /nfs/dbraw/zinc/18/08/58/552180858.db2.gz YFLYXCXIUHUHAW-HNAYVOBHSA-N 2 0 355.486 1.962 20 30 FDEDRP N#CCCCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000594438210 552309895 /nfs/dbraw/zinc/30/98/95/552309895.db2.gz HTCGGCDDLXHQOL-IBGZPJMESA-N 2 0 357.502 1.726 20 30 FDEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599306749 553021593 /nfs/dbraw/zinc/02/15/93/553021593.db2.gz CZXDWEBVNQETEW-ROUUACIJSA-N 2 0 353.507 1.490 20 30 FDEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000599434842 553056135 /nfs/dbraw/zinc/05/61/35/553056135.db2.gz JQNRFJSVQAMBFT-SFHVURJKSA-N 2 0 360.502 1.304 20 30 FDEDRP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600721538 553307042 /nfs/dbraw/zinc/30/70/42/553307042.db2.gz NHEVMQNUQUIKHA-GOSISDBHSA-N 2 0 361.486 1.788 20 30 FDEDRP N#Cc1cccc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000602542014 553602983 /nfs/dbraw/zinc/60/29/83/553602983.db2.gz QLAQIRABDVPWOW-UHFFFAOYSA-N 2 0 351.458 1.435 20 30 FDEDRP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC000602876212 553657359 /nfs/dbraw/zinc/65/73/59/553657359.db2.gz GAJLGXZDJWDIHU-SFHVURJKSA-N 2 0 361.534 1.096 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC000635532135 558714897 /nfs/dbraw/zinc/71/48/97/558714897.db2.gz ZORGOEHOCITACQ-UHFFFAOYSA-N 2 0 371.485 1.684 20 30 FDEDRP CC[NH+]=C(NCCN1CCC[N@H+](C)CC1)N1CCS[C@H](C(C)C)C1 ZINC000153754386 671908311 /nfs/dbraw/zinc/90/83/11/671908311.db2.gz NSLQQQXVYWENMK-KRWDZBQOSA-N 2 0 355.596 1.663 20 30 FDEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000245743578 672461617 /nfs/dbraw/zinc/46/16/17/672461617.db2.gz VWILQBHZWHMNIZ-FUHWJXTLSA-N 2 0 352.523 1.564 20 30 FDEDRP CC[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N1CCC(OC(C)(C)C)CC1 ZINC000261848368 672682445 /nfs/dbraw/zinc/68/24/45/672682445.db2.gz XRZFVTGHWPOGHY-INIZCTEOSA-N 2 0 353.555 1.477 20 30 FDEDRP C[NH+]=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCO[C@@H](COC)C1 ZINC000261973547 672705331 /nfs/dbraw/zinc/70/53/31/672705331.db2.gz QOKLRTGMSHGQOS-MRXNPFEDSA-N 2 0 370.563 1.271 20 30 FDEDRP CC[NH+]=C(NC[C@@]1(N(C)C)CCSC1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262812963 672851294 /nfs/dbraw/zinc/85/12/94/672851294.db2.gz UWVZEPYKLLPPCO-PHSGOXPASA-N 2 0 367.607 1.994 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)Nc1ccc(F)c(F)c1F ZINC000264107572 672901629 /nfs/dbraw/zinc/90/16/29/672901629.db2.gz OESCECUYDMBPMD-SNVBAGLBSA-N 2 0 357.380 1.431 20 30 FDEDRP C[C@H]1CCC[N@H+](CCNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000303871580 676543259 /nfs/dbraw/zinc/54/32/59/676543259.db2.gz BRZZFJFYYBOCBA-HNNXBMFYSA-N 2 0 353.511 1.586 20 30 FDEDRP COc1ccc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCN(C)CC2)cc1Cl ZINC000303880594 676543534 /nfs/dbraw/zinc/54/35/34/676543534.db2.gz KIBHMLASJUISTF-ZDUSSCGKSA-N 2 0 353.898 1.959 20 30 FDEDRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000303902437 676543651 /nfs/dbraw/zinc/54/36/51/676543651.db2.gz UAFBUBBCSWAEJV-ROUUACIJSA-N 2 0 353.555 1.371 20 30 FDEDRP COCCNC(=[NH2+])NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000304016463 676544077 /nfs/dbraw/zinc/54/40/77/676544077.db2.gz WPJMYEPJYMILFS-UHFFFAOYSA-N 2 0 353.898 1.403 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000305718948 676545235 /nfs/dbraw/zinc/54/52/35/676545235.db2.gz HVSPVMCGJYADQJ-LSDHHAIUSA-N 2 0 353.511 1.678 20 30 FDEDRP C[C@@H]1C[C@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C[N@@H+]1C1CC1 ZINC000328614782 676600069 /nfs/dbraw/zinc/60/00/69/676600069.db2.gz RIGYUNKLDSLHNS-CVEARBPZSA-N 2 0 350.507 1.760 20 30 FDEDRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)[C@@H](C)C1 ZINC000329411145 676637612 /nfs/dbraw/zinc/63/76/12/676637612.db2.gz BSVDTUCHFTUJQR-IRXDYDNUSA-N 2 0 354.539 1.942 20 30 FDEDRP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@H]2C1 ZINC001083193992 771231805 /nfs/dbraw/zinc/23/18/05/771231805.db2.gz QIHYBLXDICDAOO-VQTJNVASSA-N 2 0 355.482 1.339 20 30 FDEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001104351072 776462997 /nfs/dbraw/zinc/46/29/97/776462997.db2.gz ZJNSKTJWLKPLLT-QZTJIDSGSA-N 2 0 351.535 1.995 20 30 FDEDRP [NH2+]=C(NCCc1ccccc1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000180454168 793670111 /nfs/dbraw/zinc/67/01/11/793670111.db2.gz YPPFEHPEJZIFIQ-HXUWFJFHSA-N 2 0 352.482 1.900 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001104812056 793827548 /nfs/dbraw/zinc/82/75/48/793827548.db2.gz KUMNSQDTEVOJGK-IXDOHACOSA-N 2 0 352.523 1.093 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001104939003 794489607 /nfs/dbraw/zinc/48/96/07/794489607.db2.gz GFMBWSPJUSAWSF-BRWVUGGUSA-N 2 0 352.523 1.093 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)C(C)C ZINC000417056831 794947124 /nfs/dbraw/zinc/94/71/24/794947124.db2.gz ACESSCSOYFJEPC-RTBURBONSA-N 2 0 363.550 1.374 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccnn3C)C2)CC1 ZINC001105060655 795103032 /nfs/dbraw/zinc/10/30/32/795103032.db2.gz OVVXZSIHYSHUBP-IEBWSBKVSA-N 2 0 371.529 1.340 20 30 FDEDRP C[C@@]1(CNC(=[NH2+])NCCCN2CCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000162456782 795346882 /nfs/dbraw/zinc/34/68/82/795346882.db2.gz UTTGRTNWEUPUTJ-NRFANRHFSA-N 2 0 373.545 1.668 20 30 FDEDRP COCC[NH2+]CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000418515405 796064662 /nfs/dbraw/zinc/06/46/62/796064662.db2.gz YIICJQGYAQPPPP-UHFFFAOYSA-N 2 0 359.474 1.012 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001026852852 800006828 /nfs/dbraw/zinc/00/68/28/800006828.db2.gz RFKDLLQRDGCQFL-HHXXYDBFSA-N 2 0 370.497 1.845 20 30 FDEDRP COc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1C#N ZINC001027891874 806861085 /nfs/dbraw/zinc/86/10/85/806861085.db2.gz JXMMILQFIRCDFM-ATZDWAIDSA-N 2 0 370.497 1.988 20 30 FDEDRP C=CC[C@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCC[NH2+]1 ZINC000662759743 803088665 /nfs/dbraw/zinc/08/86/65/803088665.db2.gz VRXXNZYDJVALIK-HXUWFJFHSA-N 3 0 357.502 1.408 20 30 FDEDRP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000978175632 805252772 /nfs/dbraw/zinc/25/27/72/805252772.db2.gz HDGRXIXPBLNOPA-UEDWAMCQSA-N 2 0 361.530 1.603 20 30 FDEDRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC#CCOC)C1 ZINC001112124598 810838578 /nfs/dbraw/zinc/83/85/78/810838578.db2.gz NIPQDSMPSNPIQZ-ZIAGYGMSSA-N 2 0 363.424 1.345 20 30 FDEDRP Cc1nnc(CNC(=[NH+]C2CCCCC2)N2CC[C@H]([NH+]3CC=CC3)C2)n1C ZINC000261943117 811349118 /nfs/dbraw/zinc/34/91/18/811349118.db2.gz DZOIENYNUHNUOS-SFHVURJKSA-N 2 0 371.533 1.848 20 30 FDEDRP C[NH+]=C(NCc1cccnc1-n1ccnc1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262017947 811368796 /nfs/dbraw/zinc/36/87/96/811368796.db2.gz YEZWCLLSJLOPGT-WMLDXEAASA-N 2 0 353.474 1.415 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)C(C)C ZINC000419566812 812021879 /nfs/dbraw/zinc/02/18/79/812021879.db2.gz GZKKHMABBCTBCG-YLJYHZDGSA-N 2 0 362.518 1.013 20 30 FDEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992450 824954244 /nfs/dbraw/zinc/95/42/44/824954244.db2.gz WKJOBDBSZBRTKO-WSTZPKSXSA-N 2 0 361.530 1.986 20 30 FDEDRP C[C@@H]1CN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@H]1[NH+](C)C ZINC000329840670 825497751 /nfs/dbraw/zinc/49/77/51/825497751.db2.gz WLRSDDCDQTXTBV-NVXWUHKLSA-N 2 0 360.506 1.129 20 30 FDEDRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330293908 825818346 /nfs/dbraw/zinc/81/83/46/825818346.db2.gz DYONKTGQMJMFFW-MKXGPGLRSA-N 2 0 364.534 1.837 20 30 FDEDRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cccc(C#N)c4)CC[C@@H]3C2)C1 ZINC001088199452 827430351 /nfs/dbraw/zinc/43/03/51/827430351.db2.gz OJTBFLLHPQENNB-AABGKKOBSA-N 2 0 352.482 1.790 20 30 FDEDRP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000303888772 827939556 /nfs/dbraw/zinc/93/95/56/827939556.db2.gz PDCKSFIJZTZKNB-MRXNPFEDSA-N 2 0 367.538 1.974 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105637328 842271293 /nfs/dbraw/zinc/27/12/93/842271293.db2.gz NFCXOZYDIDFKNA-UKAVVXHISA-N 2 0 361.530 1.460 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105655783 842479126 /nfs/dbraw/zinc/47/91/26/842479126.db2.gz KXQUCGNXRMYINP-ZJSJBZJDSA-N 2 0 363.546 1.564 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3CC[NH+](C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001105659008 842500724 /nfs/dbraw/zinc/50/07/24/842500724.db2.gz LRKBGCXIVLCEIL-BNDYYXHWSA-N 2 0 363.546 1.870 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cccnc4C)C[C@H]32)CC1 ZINC001076604943 848554439 /nfs/dbraw/zinc/55/44/39/848554439.db2.gz ZHTPIMBHUTZQRA-LEWJYISDSA-N 2 0 366.509 1.768 20 30 FDEDRP C#CCN(C(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1)C1CC[NH+](C)CC1 ZINC000910884277 857834702 /nfs/dbraw/zinc/83/47/02/857834702.db2.gz AUDQVRIDYDTPGT-UHFFFAOYSA-N 2 0 374.529 1.019 20 30 FDEDRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000911922329 859111898 /nfs/dbraw/zinc/11/18/98/859111898.db2.gz XCBNRPNSNRVLHN-UYAOXDASSA-N 2 0 356.470 1.094 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)N1CCN(C(=O)C(=C)CC[NH+](C)C)[C@H](C)[C@H]1C ZINC000912724914 860087602 /nfs/dbraw/zinc/08/76/02/860087602.db2.gz WWOZUSUIAUKYMY-QZTJIDSGSA-N 2 0 364.534 1.450 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3nc(C)cs3)[C@@H]2C)CC1 ZINC001089059823 866388451 /nfs/dbraw/zinc/38/84/51/866388451.db2.gz DETGSTUJYPGCKP-WBVHZDCISA-N 2 0 360.527 1.876 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC000913890203 869916445 /nfs/dbraw/zinc/91/64/45/869916445.db2.gz PAJOOTKSEGZLNJ-LJQANCHMSA-N 2 0 358.486 1.695 20 30 FDEDRP C#CCN(C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000913988813 870244973 /nfs/dbraw/zinc/24/49/73/870244973.db2.gz OLZUSYHDQXTBLF-CALCHBBNSA-N 2 0 350.507 1.225 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000916807713 882397751 /nfs/dbraw/zinc/39/77/51/882397751.db2.gz JQUUXNUSBURADN-UHFFFAOYSA-N 2 0 372.513 1.566 20 30 FDEDRP C=CCN1CC[C@H]([NH+](C)CCCC[N@@H+](C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000282112540 876961594 /nfs/dbraw/zinc/96/15/94/876961594.db2.gz XCBRHFAVDFQVEC-ROUUACIJSA-N 2 0 362.518 1.204 20 30 FDEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC2CC2)C1 ZINC001099262504 877505369 /nfs/dbraw/zinc/50/53/69/877505369.db2.gz FERQYZPIJNQNRJ-OAGGEKHMSA-N 2 0 357.420 1.863 20 30 FDEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001106825384 878632589 /nfs/dbraw/zinc/63/25/89/878632589.db2.gz OELCABMUMJYDBK-IEBWSBKVSA-N 2 0 351.535 1.994 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(OCC#N)cc3)C2)CC[N@@H+]1C ZINC001033094532 878903101 /nfs/dbraw/zinc/90/31/01/878903101.db2.gz IPQADJNXXQXCDG-YVWKXTFCSA-N 2 0 370.497 1.962 20 30 FDEDRP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C)C1=O ZINC001106899456 887203421 /nfs/dbraw/zinc/20/34/21/887203421.db2.gz AMFPVFQQRMCNBZ-KZNAEPCWSA-N 2 0 364.534 1.189 20 30 FDEDRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[NH2+]Cc2cccc(C#N)c2)CC1 ZINC001127571349 888831477 /nfs/dbraw/zinc/83/14/77/888831477.db2.gz QBSHKBLTKPVDJG-UXHICEINSA-N 2 0 370.497 1.511 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC3CCCCC3)C[C@H]2O)CC1 ZINC001078226964 898427382 /nfs/dbraw/zinc/42/73/82/898427382.db2.gz BOCDFLKHUOZEDD-WOJBJXKFSA-N 2 0 361.530 1.463 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001107030698 899647398 /nfs/dbraw/zinc/64/73/98/899647398.db2.gz SHEUXUYBDLWVGG-KZNAEPCWSA-N 2 0 364.534 1.237 20 30 FDEDRP C#CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079147059 901971634 /nfs/dbraw/zinc/97/16/34/901971634.db2.gz UVQKSEIXRJZMSV-VAMGGRTRSA-N 2 0 355.482 1.035 20 30 FDEDRP C#CC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079245574 902253850 /nfs/dbraw/zinc/25/38/50/902253850.db2.gz AJYJAUZGIHELFE-CEXWTWQISA-N 2 0 359.514 1.433 20 30 FDEDRP C=CC[NH+]1CCC2(CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079268167 902320116 /nfs/dbraw/zinc/32/01/16/902320116.db2.gz QYMNHNVBRFGOGP-RBUKOAKNSA-N 2 0 361.530 1.844 20 30 FDEDRP CC#CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079270466 902330032 /nfs/dbraw/zinc/33/00/32/902330032.db2.gz SWHLIMBSNNQQJM-GBESFXJTSA-N 2 0 359.514 1.291 20 30 FDEDRP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001107409204 904769881 /nfs/dbraw/zinc/76/98/81/904769881.db2.gz LBRUMKIPEYEWLE-QKNQBKEWSA-N 2 0 359.514 1.339 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)C[C@H]2C)CC1 ZINC001080998136 906975431 /nfs/dbraw/zinc/97/54/31/906975431.db2.gz UMQUVMLLXIIHOD-MISYRCLQSA-N 2 0 361.530 1.727 20 30 FDEDRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1)[NH+](C)C ZINC001082589251 908838120 /nfs/dbraw/zinc/83/81/20/908838120.db2.gz RGXSLUWGUKYITG-ATZDWAIDSA-N 2 0 358.486 1.866 20 30 FDEDRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082741767 909941521 /nfs/dbraw/zinc/94/15/21/909941521.db2.gz BLALXXMQTGHSAY-QMTMVMCOSA-N 2 0 358.461 1.976 20 30 FDEDRP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@H]2C1 ZINC001083082431 911947176 /nfs/dbraw/zinc/94/71/76/911947176.db2.gz XLZPBJBUKBZEAI-YSIASYRMSA-N 2 0 359.514 1.576 20 30 FDEDRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC#Cc4ccccc4)[C@H]3C2)C1 ZINC001085092784 920807777 /nfs/dbraw/zinc/80/77/77/920807777.db2.gz PXLKRLMGFQCFAP-NJYVYQBISA-N 2 0 351.494 1.913 20 30 FDEDRP C=CCC[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129400727 938415913 /nfs/dbraw/zinc/41/59/13/938415913.db2.gz YUAYNJNYBACYEA-KURKYZTESA-N 2 0 362.522 1.706 20 30 FDEDRP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129910068 938549680 /nfs/dbraw/zinc/54/96/80/938549680.db2.gz BGXBIQAUKGRYID-KURKYZTESA-N 2 0 362.522 1.706 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001129896052 938557343 /nfs/dbraw/zinc/55/73/43/938557343.db2.gz OUPBSMDEBDLOQN-KSZLIROESA-N 2 0 360.506 1.174 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCCCCC)C[C@@H]1n1ccnn1 ZINC001130044116 938643397 /nfs/dbraw/zinc/64/33/97/938643397.db2.gz QTXTUXJEKFLBQW-MSOLQXFVSA-N 2 0 360.506 1.155 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](CCC)CCC)C[C@@H]1n1ccnn1 ZINC001130083971 938665548 /nfs/dbraw/zinc/66/55/48/938665548.db2.gz SCGUOMHDKFXUNM-MSOLQXFVSA-N 2 0 360.506 1.155 20 30 FDEDRP C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001130299097 938799260 /nfs/dbraw/zinc/79/92/60/938799260.db2.gz XAWSXVXMGSBHKE-XLIONFOSSA-N 2 0 364.534 1.380 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130675629 939973539 /nfs/dbraw/zinc/97/35/39/939973539.db2.gz ZDGVQEWMCONUOB-QXAKKESOSA-N 2 0 359.518 1.448 20 30 FDEDRP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@@H+](C)CCC)n2)O1 ZINC001130815919 940217486 /nfs/dbraw/zinc/21/74/86/940217486.db2.gz HCGBYRQEUGQIIW-LSDHHAIUSA-N 2 0 364.494 1.149 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001130988700 940410709 /nfs/dbraw/zinc/41/07/09/940410709.db2.gz KCDJJQCUKFUBQB-KZNAEPCWSA-N 2 0 359.518 1.753 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1c1cncn1C ZINC001131003507 940429609 /nfs/dbraw/zinc/42/96/09/940429609.db2.gz HSAAMGGQERHEMC-KURKYZTESA-N 2 0 357.502 1.202 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1c1cncn1C ZINC001131073783 940490222 /nfs/dbraw/zinc/49/02/22/940490222.db2.gz OKBDFAMHPIMJCT-KZNAEPCWSA-N 2 0 359.518 1.448 20 30 FDEDRP C=CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001131321423 940551694 /nfs/dbraw/zinc/55/16/94/940551694.db2.gz RYELHIHDRDZWSD-BBWFWOEESA-N 2 0 364.490 1.009 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC#CC)CC2)CC1 ZINC001131608987 940789161 /nfs/dbraw/zinc/78/91/61/940789161.db2.gz STYJDHMSAALUDN-RTWAWAEBSA-N 2 0 371.525 1.341 20 30 FDEDRP CCOC(=O)C(C)N=Nc1cc(N[C@@H]([NH3+])CCC[NH3+])ccc1[N+](=O)[O-] ZINC001170903425 943241783 /nfs/dbraw/zinc/24/17/83/943241783.db2.gz JRWRXTTXRXXUEB-SAGYFLTASA-N 2 0 352.395 1.381 20 30 FDEDRP C#CC[N@H+](C)CCCNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000818593077 943323809 /nfs/dbraw/zinc/32/38/09/943323809.db2.gz LBBHDWOVSABOCV-UHFFFAOYSA-N 2 0 356.514 1.660 20 30 FDEDRP C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000818599385 943327399 /nfs/dbraw/zinc/32/73/99/943327399.db2.gz NJSNOLVXVKIIPK-QGZVFWFLSA-N 2 0 360.477 1.408 20 30 FDEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001086825291 943471223 /nfs/dbraw/zinc/47/12/23/943471223.db2.gz CTZSMTZOZATYRI-GOEBONIOSA-N 2 0 353.898 1.685 20 30 FDEDRP COC(=O)c1ccc(C(=[NH2+])Nc2ccc(CN3CC[NH2+]CC3)cc2)cc1 ZINC001170985357 944950821 /nfs/dbraw/zinc/95/08/21/944950821.db2.gz RFDRNWDYCGVBBR-UHFFFAOYSA-N 2 0 352.438 1.915 20 30 FDEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCCOCCOCCOCCC[NH3+] ZINC001171186613 949355120 /nfs/dbraw/zinc/35/51/20/949355120.db2.gz XMMUEFUCWAAZHO-SFHVURJKSA-N 2 0 363.502 1.868 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)CO[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000846700843 951471156 /nfs/dbraw/zinc/47/11/56/951471156.db2.gz IZMYEVNHXSRVDT-IBGZPJMESA-N 2 0 356.470 1.407 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3conc3C)C2)CC1 ZINC001086882130 952913464 /nfs/dbraw/zinc/91/34/64/952913464.db2.gz BLLKDFKEFLSBSO-QFBILLFUSA-N 2 0 358.486 1.703 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3coc(C)n3)C2)CC1 ZINC001086882189 952913892 /nfs/dbraw/zinc/91/38/92/952913892.db2.gz FTZKQTKMTBKMGG-FUHWJXTLSA-N 2 0 358.486 1.703 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnns3)C2)CC1 ZINC001086882176 952913918 /nfs/dbraw/zinc/91/39/18/952913918.db2.gz DYLSSNHPPMFSRL-GOEBONIOSA-N 2 0 361.515 1.258 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nocc3C)C2)CC1 ZINC001086882433 952914232 /nfs/dbraw/zinc/91/42/32/952914232.db2.gz QHEYIPSDAKNSDK-FUHWJXTLSA-N 2 0 358.486 1.703 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1c1cnn(C)c1 ZINC001087010708 953102297 /nfs/dbraw/zinc/10/22/97/953102297.db2.gz NJPZMHWBIVPFDQ-IPMKNSEASA-N 2 0 359.518 1.755 20 30 FDEDRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001087034446 953171749 /nfs/dbraw/zinc/17/17/49/953171749.db2.gz GATRWIKVLMHHBA-VAMGGRTRSA-N 2 0 370.497 1.606 20 30 FDEDRP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001091868803 953620383 /nfs/dbraw/zinc/62/03/83/953620383.db2.gz WFFWRADLQBDQMJ-YZNMIPRNSA-N 2 0 359.514 1.596 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092505120 955279037 /nfs/dbraw/zinc/27/90/37/955279037.db2.gz IIKCDIVTDQDCBB-LSBZLQRGSA-N 2 0 358.461 1.976 20 30 FDEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092615744 955824741 /nfs/dbraw/zinc/82/47/41/955824741.db2.gz OQRXGTPNPVUUAU-AFYVEPGGSA-N 2 0 363.546 1.994 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@H]2C)CC1 ZINC001093224380 957857185 /nfs/dbraw/zinc/85/71/85/957857185.db2.gz UCUVGHQBHUBHJU-VQIMIIECSA-N 2 0 371.529 1.258 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCC(C)C)CC1 ZINC001110147127 958331041 /nfs/dbraw/zinc/33/10/41/958331041.db2.gz LSBMCEPIBQIHBM-AABGKKOBSA-N 2 0 361.530 1.726 20 30 FDEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccn(CC[NH+](C)C)n3)CCC[C@@H]12 ZINC001094417339 960410028 /nfs/dbraw/zinc/41/00/28/960410028.db2.gz VFLVEWIUHWPRGX-UYAOXDASSA-N 2 0 359.518 1.995 20 30 FDEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3cnn(CC[NH+](C)C)c3)CCC[C@@H]12 ZINC001094532467 960744765 /nfs/dbraw/zinc/74/47/65/960744765.db2.gz WKOBLGBXPQVBTB-UYAOXDASSA-N 2 0 359.518 1.995 20 30 FDEDRP C[N@H+](CCN1CC[NH+](C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988771 961870095 /nfs/dbraw/zinc/87/00/95/961870095.db2.gz DHTWZBAAISHKKK-IRXDYDNUSA-N 2 0 365.522 1.457 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001178527015 964276783 /nfs/dbraw/zinc/27/67/83/964276783.db2.gz HOWNPEZYMFQKNQ-FGTMMUONSA-N 2 0 366.550 1.674 20 30 FDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1CN1CC[NH+](C)CC1 ZINC001188366464 966238216 /nfs/dbraw/zinc/23/82/16/966238216.db2.gz WUWVNRPMNVNMPT-IBGZPJMESA-N 2 0 356.514 1.814 20 30 FDEDRP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)CC1 ZINC001188964198 966678047 /nfs/dbraw/zinc/67/80/47/966678047.db2.gz ZGBDFQFAAYXXBF-RBUKOAKNSA-N 2 0 352.482 1.933 20 30 FDEDRP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189026892 966736667 /nfs/dbraw/zinc/73/66/67/966736667.db2.gz UMMWUGAAZZKRQW-OKZBNKHCSA-N 2 0 364.534 1.284 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167083 966827515 /nfs/dbraw/zinc/82/75/15/966827515.db2.gz ATQFHIFRNPKSDI-IXDOHACOSA-N 2 0 364.534 1.188 20 30 FDEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(N2CC[NH+](C)CC2)cc1F ZINC001194552371 970246080 /nfs/dbraw/zinc/24/60/80/970246080.db2.gz YXWDACNZOWMOQP-KRWDZBQOSA-N 2 0 360.477 1.958 20 30 FDEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CCCO1 ZINC001201454938 975056043 /nfs/dbraw/zinc/05/60/43/975056043.db2.gz VQIOANMNCGYSEG-AQNXPRMDSA-N 2 0 355.482 1.172 20 30 FDEDRP C#C[C@@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000847303191 975442352 /nfs/dbraw/zinc/44/23/52/975442352.db2.gz VMSDXRJVBBKPNU-GOSISDBHSA-N 2 0 355.486 1.649 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000866385888 975592664 /nfs/dbraw/zinc/59/26/64/975592664.db2.gz SEMMQRGBFQKCSA-UHFFFAOYSA-N 2 0 370.494 1.591 20 30 FDEDRP C#CCN1CCC[C@H](NC(=O)NCc2cccnc2-n2ccnc2C)C1 ZINC000884088238 982847394 /nfs/dbraw/zinc/84/73/94/982847394.db2.gz COKURZPGNVKPFB-KRWDZBQOSA-N 2 0 352.442 1.473 20 30 FDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC000884193760 982969473 /nfs/dbraw/zinc/96/94/73/982969473.db2.gz OOHCALRKBMEOIS-XTBIFASLSA-N 2 0 352.482 1.907 20 30 FDEDRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884233763 983008512 /nfs/dbraw/zinc/00/85/12/983008512.db2.gz YHIVFQXQAOPJER-BQIYRTECSA-N 2 0 367.497 1.825 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000332485662 983063618 /nfs/dbraw/zinc/06/36/18/983063618.db2.gz NPCSFNISJLJTFK-FUHWJXTLSA-N 2 0 362.518 1.086 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC000299440327 988479737 /nfs/dbraw/zinc/47/97/37/988479737.db2.gz KWRYGJVUURONNY-UHFFFAOYSA-N 2 0 370.453 1.440 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000299540986 988579247 /nfs/dbraw/zinc/57/92/47/988579247.db2.gz JAGLQEFLXPIVLW-UHFFFAOYSA-N 3 0 369.513 1.055 20 30 FDEDRP N#CC1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000299579834 988604968 /nfs/dbraw/zinc/60/49/68/988604968.db2.gz QVVLLNHEFUWNJX-UHFFFAOYSA-N 2 0 356.474 1.539 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C[C@H]1C[NH+](C)C ZINC000875542150 991718326 /nfs/dbraw/zinc/71/83/26/991718326.db2.gz YLXOEZAORIQDNA-QWFCFKBJSA-N 2 0 369.513 1.926 20 30 FDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000876762647 992885102 /nfs/dbraw/zinc/88/51/02/992885102.db2.gz GHXFJDJWOXCVQH-INIZCTEOSA-N 2 0 364.877 1.921 20 30 FDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000876780990 992907132 /nfs/dbraw/zinc/90/71/32/992907132.db2.gz LLVDRZZOOHVSOK-MSOLQXFVSA-N 2 0 364.921 1.951 20 30 FDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000876782785 992911192 /nfs/dbraw/zinc/91/11/92/992911192.db2.gz ZOSAZNUIAZPZCI-KRWDZBQOSA-N 2 0 350.894 1.785 20 30 FDEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1nc(C)cc1C ZINC001095556463 993444829 /nfs/dbraw/zinc/44/48/29/993444829.db2.gz SHIBOBSLXQDLMJ-FYQPLNBISA-N 2 0 369.513 1.319 20 30 FDEDRP N#CCc1cccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)n1 ZINC000926187370 995967706 /nfs/dbraw/zinc/96/77/06/995967706.db2.gz CCMGPUNFCZGJPS-CALCHBBNSA-N 2 0 354.458 1.580 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccc(C)o1)N1CCOCC1 ZINC000264143497 997413183 /nfs/dbraw/zinc/41/31/83/997413183.db2.gz XDKLQNWJRKKMNB-SJORKVTESA-N 2 0 363.506 1.350 20 30 FDEDRP [NH2+]=C(NCCCCC[NH+]1CCCCC1)N1CCN(c2ncccn2)CC1 ZINC000267442277 999336343 /nfs/dbraw/zinc/33/63/43/999336343.db2.gz PHMDHQVUGQBXHC-UHFFFAOYSA-N 2 0 359.522 1.570 20 30 FDEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1 ZINC000267832698 999401167 /nfs/dbraw/zinc/40/11/67/999401167.db2.gz DNQVFRJOIFMZIY-MRXNPFEDSA-N 2 0 366.506 1.507 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000286705356 999946921 /nfs/dbraw/zinc/94/69/21/999946921.db2.gz QDUXGDUXBVVGJM-UHFFFAOYSA-N 2 0 372.513 1.174 20 30 FDEDRP C[NH+]1C[C@@]2(C)CN(CC#CCN3C[C@]4(C)C[N@H+](C)C[C@]4(C)C3)C[C@]2(C)C1 ZINC000931313345 1004047754 /nfs/dbraw/zinc/04/77/54/1004047754.db2.gz BABBWXPNARCSEM-MYGLTJDJSA-N 2 0 358.574 1.537 20 30 FDEDRP C[NH+](C)CC#CCNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000932422722 1004950904 /nfs/dbraw/zinc/95/09/04/1004950904.db2.gz YOTWJVILSFISRO-IBGZPJMESA-N 2 0 355.486 1.658 20 30 FDEDRP C[NH+]1CCC(C#N)(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC1 ZINC000518817159 539449421 /nfs/dbraw/zinc/44/94/21/539449421.db2.gz CSJIQPDZFHAKDD-UHFFFAOYSA-N 2 0 358.511 1.953 20 30 FDEDRP N#Cc1ccnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000268506948 180100358 /nfs/dbraw/zinc/10/03/58/180100358.db2.gz RADJMJJQZRJPKR-UHFFFAOYSA-N 2 0 367.413 1.881 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000530232108 539915949 /nfs/dbraw/zinc/91/59/49/539915949.db2.gz NFGLLISWKAYIBC-QYZOEREBSA-N 2 0 359.470 1.265 20 30 FDEDRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCC#Cc1cccc(F)c1 ZINC000555212379 543926829 /nfs/dbraw/zinc/92/68/29/543926829.db2.gz WBIJTVAMBSRWHN-UHFFFAOYSA-N 2 0 360.477 1.845 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000555870415 544044464 /nfs/dbraw/zinc/04/44/64/544044464.db2.gz WJVXWTSMEGZVOF-UHFFFAOYSA-N 2 0 364.534 1.380 20 30 FDEDRP Cc1cc(C#N)ccc1S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000097597048 222195424 /nfs/dbraw/zinc/19/54/24/222195424.db2.gz SNYUSRMVZQESIN-UHFFFAOYSA-N 2 0 366.531 1.761 20 30 FDEDRP C=CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000556963803 544225547 /nfs/dbraw/zinc/22/55/47/544225547.db2.gz IXRDRCSWHKCEFS-WOJBJXKFSA-N 2 0 370.497 1.972 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000159336029 524644572 /nfs/dbraw/zinc/64/45/72/524644572.db2.gz JDFYYBMKPRBWLJ-KRWDZBQOSA-N 2 0 364.534 1.381 20 30 FDEDRP C=CCNC(=O)NC(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821414 524919333 /nfs/dbraw/zinc/91/93/33/524919333.db2.gz WXGCOIUIRIKVJG-UHFFFAOYSA-N 2 0 359.474 1.632 20 30 FDEDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000104102248 525390125 /nfs/dbraw/zinc/39/01/25/525390125.db2.gz DQZKWNGOORJHPC-UHFFFAOYSA-N 2 0 358.895 1.326 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCN(c2ccccc2OC)C1 ZINC000104183534 525400617 /nfs/dbraw/zinc/40/06/17/525400617.db2.gz BAGVOLAZYZJPJM-IRXDYDNUSA-N 2 0 359.518 1.910 20 30 FDEDRP COc1ccccc1CNC(=[NH2+])NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000170913038 525767727 /nfs/dbraw/zinc/76/77/27/525767727.db2.gz AEBDHWNXBWQSSO-IBGZPJMESA-N 2 0 368.481 1.519 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNc1cccc(C#N)c1 ZINC000156461224 526142704 /nfs/dbraw/zinc/14/27/04/526142704.db2.gz ULAHPTMTJIVREZ-LJQANCHMSA-N 2 0 357.502 1.845 20 30 FDEDRP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182962664 535895193 /nfs/dbraw/zinc/89/51/93/535895193.db2.gz XASMKGYHOJGPPJ-QGZVFWFLSA-N 2 0 350.507 1.571 20 30 FDEDRP C[NH+]=C(NCc1cccc(-n2cncn2)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262815183 536909481 /nfs/dbraw/zinc/90/94/81/536909481.db2.gz VMMMDLPARTZRMZ-GOSISDBHSA-N 2 0 351.458 1.289 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccnc1OCC(F)(F)F ZINC000264098893 537137079 /nfs/dbraw/zinc/13/70/79/537137079.db2.gz NJXUCHHWODHGCQ-ZDUSSCGKSA-N 2 0 359.396 1.911 20 30 FDEDRP [NH2+]=C(NCCCN1CCOCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195291263 537390606 /nfs/dbraw/zinc/39/06/06/537390606.db2.gz YFVVYEJDOLDPKQ-LJQANCHMSA-N 2 0 359.518 1.135 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nnc(-c2ccc(OC)cc2)[nH]1 ZINC000303977048 537598997 /nfs/dbraw/zinc/59/89/97/537598997.db2.gz KTLCALJSSAEPSF-AWEZNQCLSA-N 2 0 357.462 1.369 20 30 FDEDRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330231644 537652950 /nfs/dbraw/zinc/65/29/50/537652950.db2.gz RDPNTWGPKLVXHT-FCGDIQPGSA-N 2 0 364.534 1.837 20 30 FDEDRP C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375833853 537779058 /nfs/dbraw/zinc/77/90/58/537779058.db2.gz VNLRQDPIIGPAOT-VQTJNVASSA-N 2 0 372.513 1.398 20 30 FDEDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000375900491 537793616 /nfs/dbraw/zinc/79/36/16/537793616.db2.gz HCJUPPCNLHEQFZ-FQEVSTJZSA-N 2 0 369.513 1.987 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000414812666 537918357 /nfs/dbraw/zinc/91/83/57/537918357.db2.gz LFUYGSPHXKQMTR-UHFFFAOYSA-N 2 0 374.460 1.567 20 30 FDEDRP C=CCc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc(OC)c1O ZINC000414991425 537950561 /nfs/dbraw/zinc/95/05/61/537950561.db2.gz QCWORMLYYFDVEN-XLIONFOSSA-N 2 0 373.497 1.866 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(CC)CCC[NH+]2CCCC2)CC1 ZINC000566026825 547572135 /nfs/dbraw/zinc/57/21/35/547572135.db2.gz ISXKJBDIDCKFEP-UHFFFAOYSA-N 2 0 350.507 1.087 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C2CC[NH+](C3CCN(CC)CC3)CC2)CC1 ZINC000570812932 549421834 /nfs/dbraw/zinc/42/18/34/549421834.db2.gz FKOMGQGEMLCGDY-UHFFFAOYSA-N 2 0 362.562 1.949 20 30 FDEDRP N#Cc1cccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000589359223 551725980 /nfs/dbraw/zinc/72/59/80/551725980.db2.gz GQGQLTIKPYMSBV-UHFFFAOYSA-N 2 0 350.426 1.290 20 30 FDEDRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@H](O)COc3ccc(CC#N)cc3)C2)CC1 ZINC000591736986 551905071 /nfs/dbraw/zinc/90/50/71/551905071.db2.gz ZIFRZAMJKOBBAH-QUCCMNQESA-N 2 0 372.513 1.250 20 30 FDEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000591739393 551905119 /nfs/dbraw/zinc/90/51/19/551905119.db2.gz OAMIYUULHYDNGI-HKUYNNGSSA-N 2 0 360.502 1.161 20 30 FDEDRP C[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593319636 552089232 /nfs/dbraw/zinc/08/92/32/552089232.db2.gz LWQBKELNORGXOA-IBGZPJMESA-N 2 0 355.486 1.916 20 30 FDEDRP C[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593320697 552089311 /nfs/dbraw/zinc/08/93/11/552089311.db2.gz DIOWSORPVLTPDS-IBGZPJMESA-N 2 0 355.486 1.916 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@H]3C[NH2+]CCCO3)CC2)c1 ZINC000593717179 552181501 /nfs/dbraw/zinc/18/15/01/552181501.db2.gz YJKGQGYTBGWNJQ-LJQANCHMSA-N 2 0 371.485 1.200 20 30 FDEDRP C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H](C)C[NH2+]1 ZINC000593718895 552182026 /nfs/dbraw/zinc/18/20/26/552182026.db2.gz AKOPVJVMYVFYPZ-HZPDHXFCSA-N 2 0 355.486 1.914 20 30 FDEDRP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000594437136 552309944 /nfs/dbraw/zinc/30/99/44/552309944.db2.gz IPLOEBBDFQLNMO-GOSISDBHSA-N 2 0 371.485 1.862 20 30 FDEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000594444675 552311475 /nfs/dbraw/zinc/31/14/75/552311475.db2.gz BIMZMMKONBQGFR-RBUKOAKNSA-N 2 0 358.486 1.805 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC4CC3(C[NH3+])C4)CC2)c1 ZINC000595272027 552509488 /nfs/dbraw/zinc/50/94/88/552509488.db2.gz SUASHADFJLDDCI-UHFFFAOYSA-N 2 0 353.470 1.655 20 30 FDEDRP C[N@H+](CCn1cc(CN2CCOCC2)cc(C#N)c1=O)Cc1ccccc1 ZINC000596285754 552671198 /nfs/dbraw/zinc/67/11/98/552671198.db2.gz OGWXTMKTYXLLGY-UHFFFAOYSA-N 2 0 366.465 1.684 20 30 FDEDRP C=C(CNC(=O)[C@@H]1CCC[NH+]1C1CC1)CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000620749888 555979313 /nfs/dbraw/zinc/97/93/13/555979313.db2.gz QWPPHGSZCAQOJS-ROUUACIJSA-N 2 0 360.502 1.029 20 30 FDEDRP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N(C)Cc1cc(Cl)cn1C ZINC000262023077 672713679 /nfs/dbraw/zinc/71/36/79/672713679.db2.gz ZEFHDWFTYGBYGW-MRXNPFEDSA-N 2 0 354.930 1.322 20 30 FDEDRP C[NH+]=C(NC[C@@H]1COCCO1)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000262339728 672773164 /nfs/dbraw/zinc/77/31/64/672773164.db2.gz FZJUAFXAHDBNAX-UXLLHSPISA-N 2 0 366.531 1.711 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCN1C)C(C)C ZINC000264774593 672925007 /nfs/dbraw/zinc/92/50/07/672925007.db2.gz TVEXTNVJEVAYGX-ROUUACIJSA-N 2 0 351.539 1.230 20 30 FDEDRP CC(C)[NH+](CCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000303701731 676542569 /nfs/dbraw/zinc/54/25/69/676542569.db2.gz IIDVMEQYUDRXDL-UHFFFAOYSA-N 2 0 355.527 1.973 20 30 FDEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000303791127 676543166 /nfs/dbraw/zinc/54/31/66/676543166.db2.gz XAFMAVXATCUIIH-OAHLLOKOSA-N 2 0 350.463 1.787 20 30 FDEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000304753265 676544401 /nfs/dbraw/zinc/54/44/01/676544401.db2.gz KYCFIKZFNCJBQA-OAHLLOKOSA-N 2 0 353.511 1.728 20 30 FDEDRP COC[C@H](C)NC(=[NH2+])NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000304759766 676544579 /nfs/dbraw/zinc/54/45/79/676544579.db2.gz RNRWFWBHIJVNIT-HNNXBMFYSA-N 2 0 367.925 1.791 20 30 FDEDRP CC[N@@H+]1C[C@H](C)N(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@H]1C ZINC000329032481 676616780 /nfs/dbraw/zinc/61/67/80/676616780.db2.gz LRYJPYFIGHCSEZ-ATLSCFEFSA-N 2 0 352.523 1.693 20 30 FDEDRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330123677 676674196 /nfs/dbraw/zinc/67/41/96/676674196.db2.gz ATYNVWPEAQDLJT-QGTPRVQTSA-N 2 0 350.507 1.352 20 30 FDEDRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000330127378 676674397 /nfs/dbraw/zinc/67/43/97/676674397.db2.gz COKYGFRPPLNPNQ-SPUZQDLCSA-N 2 0 352.523 1.597 20 30 FDEDRP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000360472616 676868513 /nfs/dbraw/zinc/86/85/13/676868513.db2.gz LTKWTTUYLDRSCD-PKOBYXMFSA-N 2 0 350.551 1.900 20 30 FDEDRP CCN(C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@@H]1CC[NH2+]C1 ZINC000892233233 782394396 /nfs/dbraw/zinc/39/43/96/782394396.db2.gz UNKCYORZFFUNDQ-LJQANCHMSA-N 2 0 355.486 1.916 20 30 FDEDRP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001024445938 784675000 /nfs/dbraw/zinc/67/50/00/784675000.db2.gz YJFKBPSJOBOALJ-ZCNNSNEGSA-N 2 0 361.530 1.727 20 30 FDEDRP CN1CC[NH+](C[C@@H]2CCCN(CC(=O)NC3(C#N)CCCCC3)C2)CC1 ZINC000378299904 793912596 /nfs/dbraw/zinc/91/25/96/793912596.db2.gz SVEDFASCLAMIIO-SFHVURJKSA-N 2 0 361.534 1.288 20 30 FDEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001105016858 794929883 /nfs/dbraw/zinc/92/98/83/794929883.db2.gz DBFGKONFQCBYGT-HLLBOEOZSA-N 2 0 357.926 1.781 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)C(C)C ZINC000417056830 794947305 /nfs/dbraw/zinc/94/73/05/794947305.db2.gz ACESSCSOYFJEPC-RBUKOAKNSA-N 2 0 363.550 1.374 20 30 FDEDRP C=CCC[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001105242818 795531477 /nfs/dbraw/zinc/53/14/77/795531477.db2.gz JYRZOHXLXUGYRV-HDMKZQKVSA-N 2 0 360.506 1.446 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cc(F)ccc3C#N)C2)CC[N@@H+]1C ZINC001026851839 799999766 /nfs/dbraw/zinc/99/97/66/799999766.db2.gz HOQQQOMMVDKKCV-SPYBWZPUSA-N 2 0 358.461 1.976 20 30 FDEDRP C=CC[C@]1(C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCC[NH2+]1 ZINC000663018672 804899665 /nfs/dbraw/zinc/89/96/65/804899665.db2.gz XVFALMRBUVPRTP-OXQOHEQNSA-N 2 0 372.517 1.224 20 30 FDEDRP CC[NH+](CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC#CCOC)C1 ZINC001211695384 807047533 /nfs/dbraw/zinc/04/75/33/807047533.db2.gz ZAXPEVZZVNRVKD-VQTJNVASSA-N 2 0 357.498 1.562 20 30 FDEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001112531895 807111100 /nfs/dbraw/zinc/11/11/00/807111100.db2.gz VZYMXOJFSPTYKN-DYXWJJEUSA-N 2 0 361.530 1.729 20 30 FDEDRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC#CCOC)C1 ZINC001211703057 808906249 /nfs/dbraw/zinc/90/62/49/808906249.db2.gz RXGGPGNAORGEOZ-VQTJNVASSA-N 2 0 357.498 1.562 20 30 FDEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720127 809246390 /nfs/dbraw/zinc/24/63/90/809246390.db2.gz ATBSRGQPDRGOHF-HSALFYBXSA-N 2 0 355.482 1.172 20 30 FDEDRP C[NH+]=C(NCC(=O)N1CCc2ccccc21)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261933320 811347104 /nfs/dbraw/zinc/34/71/04/811347104.db2.gz BWBPBAXNIZFAAY-YOEHRIQHSA-N 2 0 355.486 1.223 20 30 FDEDRP C=C[C@@H]1OCC[C@H]1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000425434112 816283345 /nfs/dbraw/zinc/28/33/45/816283345.db2.gz OHCULJPLFZRFEV-HKUYNNGSSA-N 2 0 373.501 1.484 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCCCO3)[C@@H]2CC)CC1 ZINC001087840175 822559190 /nfs/dbraw/zinc/55/91/90/822559190.db2.gz KWBOIEWUAKVITG-SLFFLAALSA-N 2 0 361.530 1.870 20 30 FDEDRP C=C(C[NH+](C)C)C(=O)NCC1(CNC(=O)C(=C)C[NH+](C)C)CCCCC1 ZINC000840547677 824458254 /nfs/dbraw/zinc/45/82/54/824458254.db2.gz HUVSPMXMIJYVPN-UHFFFAOYSA-N 2 0 364.534 1.405 20 30 FDEDRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000329305747 824725346 /nfs/dbraw/zinc/72/53/46/824725346.db2.gz YJDIDMDFKZSPHY-OWYHZJEWSA-N 2 0 364.534 1.837 20 30 FDEDRP C[C@H](CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)CN1CCOCC1 ZINC000330204365 825731696 /nfs/dbraw/zinc/73/16/96/825731696.db2.gz BNRZGFUUPURXED-SJORKVTESA-N 2 0 368.522 1.054 20 30 FDEDRP C[NH+]=C(NCC(=O)Nc1cccc(F)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262452569 826979579 /nfs/dbraw/zinc/97/95/79/826979579.db2.gz KCBRXGVSDYDBHV-KRWDZBQOSA-N 2 0 361.465 1.900 20 30 FDEDRP N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088171908 827240916 /nfs/dbraw/zinc/24/09/16/827240916.db2.gz MLKZZHFKLAGIEE-UXHICEINSA-N 2 0 364.493 1.934 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000453668962 830998336 /nfs/dbraw/zinc/99/83/36/830998336.db2.gz YGKCJYQDGNGWTF-IBGZPJMESA-N 2 0 370.497 1.941 20 30 FDEDRP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000262754208 831258589 /nfs/dbraw/zinc/25/85/89/831258589.db2.gz AQSRCKMKHFPGFI-IAGOWNOFSA-N 3 0 363.550 1.422 20 30 FDEDRP C[NH+]=C(NCc1cc(OC)c(O)c(OC)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262768505 831337700 /nfs/dbraw/zinc/33/77/00/831337700.db2.gz GSWPGXXZMAJUTM-OAHLLOKOSA-N 2 0 360.458 1.431 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCN(c2ccccc2OC)C1 ZINC000264065582 838333339 /nfs/dbraw/zinc/33/33/39/838333339.db2.gz BAGVOLAZYZJPJM-SJORKVTESA-N 2 0 359.518 1.910 20 30 FDEDRP C[NH+]=C(NCC1(N2CCCCC2)CC[NH+](C)CC1)N1CC[C@H](COC)C1 ZINC000085154192 841398265 /nfs/dbraw/zinc/39/82/65/841398265.db2.gz PCRNMXBDBXJTQH-SFHVURJKSA-N 2 0 365.566 1.480 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)[N@@H+](C)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105642338 842306291 /nfs/dbraw/zinc/30/62/91/842306291.db2.gz IVFUSFYFDMNFIN-WIRSXHRWSA-N 2 0 363.546 1.706 20 30 FDEDRP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)[N@@H+](C)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105641868 842307129 /nfs/dbraw/zinc/30/71/29/842307129.db2.gz FJMOTEDJLSBQGO-VIPLHTEESA-N 2 0 351.535 1.869 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001105653502 842455686 /nfs/dbraw/zinc/45/56/86/842455686.db2.gz VZDAFBVWKHRHIA-DCXXXQMHSA-N 2 0 363.546 1.870 20 30 FDEDRP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[N@@H+](C)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105666540 843201462 /nfs/dbraw/zinc/20/14/62/843201462.db2.gz GQNXJZNZJZZQMW-JYBIWHBTSA-N 2 0 351.535 1.870 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cccnc4)C[C@H]32)CC1 ZINC001076604732 848554552 /nfs/dbraw/zinc/55/45/52/848554552.db2.gz UCDVWWDCQYMDJM-VQTJNVASSA-N 2 0 352.482 1.460 20 30 FDEDRP Cc1ccc(C(=O)/C=C/C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000913436131 862044242 /nfs/dbraw/zinc/04/42/42/862044242.db2.gz DHXFAMQINCUDTL-MMKWGKFASA-N 2 0 357.498 1.932 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)NC[C@]1(C)CCN(C(=O)C(=C)CC[NH+](C)C)C1 ZINC000907978613 854867719 /nfs/dbraw/zinc/86/77/19/854867719.db2.gz APLAPWIRDFFMFD-FQEVSTJZSA-N 2 0 364.534 1.357 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000910548043 857310833 /nfs/dbraw/zinc/31/08/33/857310833.db2.gz YDTZHSWKXYYFLK-UHFFFAOYSA-N 2 0 372.513 1.508 20 30 FDEDRP C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000669033502 860867051 /nfs/dbraw/zinc/86/70/51/860867051.db2.gz QMTCCIIVVRJWKY-MSOLQXFVSA-N 2 0 374.533 1.967 20 30 FDEDRP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105946351 864190403 /nfs/dbraw/zinc/19/04/03/864190403.db2.gz RFQJRUDWIUWXTM-KZNAEPCWSA-N 2 0 364.534 1.189 20 30 FDEDRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000171656640 865284559 /nfs/dbraw/zinc/28/45/59/865284559.db2.gz JMRCKNZZMHBNGY-UHFFFAOYSA-N 2 0 358.486 1.717 20 30 FDEDRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001089037936 866206555 /nfs/dbraw/zinc/20/65/55/866206555.db2.gz XCXTUUBLEBISGO-SUMDDJOVSA-N 2 0 356.470 1.620 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)NC1CCC(NC(=O)C(=C)CC[NH+](C)C)CC1 ZINC000901193587 882142445 /nfs/dbraw/zinc/14/24/45/882142445.db2.gz UGDIBGYCAIAYET-UHFFFAOYSA-N 2 0 364.534 1.546 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001106431699 875283546 /nfs/dbraw/zinc/28/35/46/875283546.db2.gz KOPUPNGVFVQLQE-HLLBOEOZSA-N 2 0 369.469 1.323 20 30 FDEDRP CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1)C(C)C ZINC001106778391 877786680 /nfs/dbraw/zinc/78/66/80/877786680.db2.gz JBYRZHSBRBTWHB-QRVBRYPASA-N 2 0 351.535 1.687 20 30 FDEDRP Cc1onc(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1C#N ZINC000499930296 878573436 /nfs/dbraw/zinc/57/34/36/878573436.db2.gz MZMRNXSEXLAJOP-UHFFFAOYSA-N 2 0 368.441 1.121 20 30 FDEDRP C#CCN(C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC[NH+](C)CC1 ZINC000919412013 885698700 /nfs/dbraw/zinc/69/87/00/885698700.db2.gz GKBJBKDBRGVLBN-KRWDZBQOSA-N 2 0 362.518 1.226 20 30 FDEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001129093499 885723873 /nfs/dbraw/zinc/72/38/73/885723873.db2.gz ICZRTXSBSMDDDR-SJORKVTESA-N 2 0 358.490 1.214 20 30 FDEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129257709 886932859 /nfs/dbraw/zinc/93/28/59/886932859.db2.gz LKAXBGNWNUXDSK-KURKYZTESA-N 2 0 362.522 1.706 20 30 FDEDRP C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C)C1=O ZINC001106899455 887203152 /nfs/dbraw/zinc/20/31/52/887203152.db2.gz AMFPVFQQRMCNBZ-KURKYZTESA-N 2 0 364.534 1.189 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC1 ZINC000068268486 889077949 /nfs/dbraw/zinc/07/79/49/889077949.db2.gz FXBOUPFWTUZPAA-UHFFFAOYSA-N 2 0 356.470 1.861 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000670894914 890519398 /nfs/dbraw/zinc/51/93/98/890519398.db2.gz DNMBDNXCNIQRTE-UHFFFAOYSA-N 2 0 362.518 1.276 20 30 FDEDRP COCC[N@@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000265794707 893183974 /nfs/dbraw/zinc/18/39/74/893183974.db2.gz XQVYNZQTEMBTSC-IBGZPJMESA-N 2 0 373.501 1.352 20 30 FDEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001107031268 899679780 /nfs/dbraw/zinc/67/97/80/899679780.db2.gz PGSCZAHDXOJSKJ-FGTMMUONSA-N 2 0 364.534 1.237 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1cccc(F)c1 ZINC001079183678 902126767 /nfs/dbraw/zinc/12/67/67/902126767.db2.gz ODJQEQQNZBGAPB-SLFFLAALSA-N 2 0 355.457 1.685 20 30 FDEDRP C#CC[NH+]1CCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079250348 902269615 /nfs/dbraw/zinc/26/96/15/902269615.db2.gz ZDISAHVNCYRORW-RBUKOAKNSA-N 2 0 364.449 1.521 20 30 FDEDRP CC#CC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079270465 902329775 /nfs/dbraw/zinc/32/97/75/902329775.db2.gz SWHLIMBSNNQQJM-CEXWTWQISA-N 2 0 359.514 1.291 20 30 FDEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]3COC[C@@H]32)CC1 ZINC001079242444 902337809 /nfs/dbraw/zinc/33/78/09/902337809.db2.gz YURKCKZLVYMMAN-SLFFLAALSA-N 2 0 371.525 1.291 20 30 FDEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](NC(=O)C(=C)C[NH+](C)C)c1ccc(C)o1 ZINC000764626137 905230498 /nfs/dbraw/zinc/23/04/98/905230498.db2.gz YCMXPPCCOJOFEC-INIZCTEOSA-N 2 0 362.474 1.097 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080377532 905283634 /nfs/dbraw/zinc/28/36/34/905283634.db2.gz WXSWGAWHGNAXPR-OXQOHEQNSA-N 2 0 370.497 1.867 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cccc(OC)c3)C[C@H]2C)CC1 ZINC001080998311 906976052 /nfs/dbraw/zinc/97/60/52/906976052.db2.gz YIZIHLRXTYZRMP-DYESRHJHSA-N 2 0 369.509 1.977 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1c1ccccc1 ZINC001081150959 907261985 /nfs/dbraw/zinc/26/19/85/907261985.db2.gz MSRFNORVHRTINZ-LZWWZHRGSA-N 2 0 365.477 1.067 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001082515109 908182308 /nfs/dbraw/zinc/18/23/08/908182308.db2.gz AMBMLVHVJYIQAF-CDHQVMDDSA-N 2 0 352.482 1.837 20 30 FDEDRP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21)[NH+](C)C ZINC001084667649 915981054 /nfs/dbraw/zinc/98/10/54/915981054.db2.gz PNGQEBICLRNKSU-YZGWKJHDSA-N 2 0 370.497 1.962 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cnc(C)o4)[C@H]3C2)CC1 ZINC001085100507 920914317 /nfs/dbraw/zinc/91/43/17/920914317.db2.gz IHPDGOLZHQAHGQ-XLIONFOSSA-N 2 0 370.497 1.751 20 30 FDEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H](C)CC(=O)N(CC)CC)CC1 ZINC001169486846 928701958 /nfs/dbraw/zinc/70/19/58/928701958.db2.gz MMHBSGMZGHAYTJ-LJQANCHMSA-N 2 0 350.551 1.925 20 30 FDEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001112579636 931742704 /nfs/dbraw/zinc/74/27/04/931742704.db2.gz ZOMZSOKKWKOFHZ-IEZWGBDMSA-N 2 0 369.937 1.926 20 30 FDEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129892346 938543326 /nfs/dbraw/zinc/54/33/26/938543326.db2.gz SJTOBGNBIUAVFB-KURKYZTESA-N 2 0 360.506 1.459 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001130005980 938623422 /nfs/dbraw/zinc/62/34/22/938623422.db2.gz NRPYRXHAXKHORF-KURKYZTESA-N 2 0 362.522 1.706 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001130056970 938641265 /nfs/dbraw/zinc/64/12/65/938641265.db2.gz CGVYBLOQSOESKC-FGTMMUONSA-N 2 0 360.506 1.009 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1cn(C)cn1 ZINC001130609888 939907492 /nfs/dbraw/zinc/90/74/92/939907492.db2.gz BHXBMCDZPGCLGF-FUHWJXTLSA-N 2 0 359.518 1.755 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130603102 939915007 /nfs/dbraw/zinc/91/50/07/939915007.db2.gz YRDKMPCDGMLHBO-XYJFISCASA-N 2 0 363.481 1.007 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1c1cn(C)cn1 ZINC001130728626 940017180 /nfs/dbraw/zinc/01/71/80/940017180.db2.gz IJWAFUPTGMHNES-PKOBYXMFSA-N 2 0 357.502 1.203 20 30 FDEDRP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[N@@H+](C)CC)n2)O1 ZINC001130813141 940211723 /nfs/dbraw/zinc/21/17/23/940211723.db2.gz JIEMSGZUVPYTHH-LSDHHAIUSA-N 2 0 364.494 1.149 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1c1cncn1C ZINC001131053853 940480687 /nfs/dbraw/zinc/48/06/87/940480687.db2.gz FAVLSQQSZZUDQZ-IPMKNSEASA-N 2 0 371.529 1.449 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1c1cncn1C ZINC001131073782 940490280 /nfs/dbraw/zinc/49/02/80/940490280.db2.gz OKBDFAMHPIMJCT-KURKYZTESA-N 2 0 359.518 1.448 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1c1cncn1C ZINC001131099844 940499596 /nfs/dbraw/zinc/49/95/96/940499596.db2.gz XPJOPHIIWMGDKH-RTBURBONSA-N 2 0 371.529 1.448 20 30 FDEDRP C=CCCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001131362280 940558725 /nfs/dbraw/zinc/55/87/25/940558725.db2.gz TZCSDEUTRRXRJR-ZWKOTPCHSA-N 2 0 364.534 1.333 20 30 FDEDRP C#CCNC(=O)CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000815117460 941780694 /nfs/dbraw/zinc/78/06/94/941780694.db2.gz NNKXGVVACYZXKO-FQEVSTJZSA-N 2 0 354.498 1.018 20 30 FDEDRP N#Cc1ccc([C@@H](O)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000819218085 943492137 /nfs/dbraw/zinc/49/21/37/943492137.db2.gz CMVVAUGKTJLZRO-SFTDATJTSA-N 2 0 351.450 1.948 20 30 FDEDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]([NH3+])CCCC#N)CC2)cc1 ZINC000844190590 947826585 /nfs/dbraw/zinc/82/65/85/947826585.db2.gz CGHUYWQTLIJFGX-LJQANCHMSA-N 2 0 373.501 1.345 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001087000914 953053014 /nfs/dbraw/zinc/05/30/14/953053014.db2.gz VCMRVKKKPDUJFO-OTWHNJEPSA-N 2 0 357.502 1.200 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1c1cnn(C)c1 ZINC001087004891 953063031 /nfs/dbraw/zinc/06/30/31/953063031.db2.gz BMJQBKDCYRZDAI-VQTJNVASSA-N 2 0 371.529 1.612 20 30 FDEDRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)C1 ZINC001092273854 954657775 /nfs/dbraw/zinc/65/77/75/954657775.db2.gz UHYOYFOTLNKRHM-SBHAEUEKSA-N 2 0 352.482 1.790 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093132902 957616658 /nfs/dbraw/zinc/61/66/58/957616658.db2.gz GHILCMVJZWVKQC-CRAIPNDOSA-N 2 0 370.472 1.977 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133140 957617893 /nfs/dbraw/zinc/61/78/93/957617893.db2.gz SGZSMKASCMOQNI-HUUCEWRRSA-N 2 0 358.511 1.900 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3CC[NH+](C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001093461079 958192333 /nfs/dbraw/zinc/19/23/33/958192333.db2.gz CNYSPIDCNOJMON-BNDYYXHWSA-N 2 0 363.546 1.870 20 30 FDEDRP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C(C)C)C[C@H]1O ZINC001093465566 958203929 /nfs/dbraw/zinc/20/39/29/958203929.db2.gz KNJUOYMJXUCBLY-ZJSJBZJDSA-N 2 0 361.530 1.318 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C(C)C)C[C@H]1O ZINC001093475298 958252575 /nfs/dbraw/zinc/25/25/75/958252575.db2.gz XENGORZMKPPXSU-IKVWTGGYSA-N 2 0 361.530 1.624 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001093673183 958516356 /nfs/dbraw/zinc/51/63/56/958516356.db2.gz KQZDXSVSKZVWKW-ATZDWAIDSA-N 2 0 370.497 1.845 20 30 FDEDRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N ZINC001094169785 959962907 /nfs/dbraw/zinc/96/29/07/959962907.db2.gz VEBYCNJOCSFDHO-CRAIPNDOSA-N 2 0 370.472 1.977 20 30 FDEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cnn(CC[NH+](C)C)c3)CCC[C@@H]12 ZINC001094532252 960744459 /nfs/dbraw/zinc/74/44/59/960744459.db2.gz IXBOEGWMIOVQAS-UYAOXDASSA-N 2 0 357.502 1.442 20 30 FDEDRP C[NH+]1CCN(c2ccc(C=[NH+]NCC(C)(C)S(C)(=O)=O)cc2)CC1 ZINC000774484789 962236178 /nfs/dbraw/zinc/23/61/78/962236178.db2.gz QJTXXZJBNCJTLT-UHFFFAOYSA-N 2 0 352.504 1.185 20 30 FDEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC12CCOCC2 ZINC001186383570 964489201 /nfs/dbraw/zinc/48/92/01/964489201.db2.gz ZHZPNCYKRSOHPP-GBESFXJTSA-N 2 0 361.530 1.585 20 30 FDEDRP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188979781 966707683 /nfs/dbraw/zinc/70/76/83/966707683.db2.gz SSWLDLCMMDMYTB-PKOBYXMFSA-N 2 0 370.497 1.941 20 30 FDEDRP C=C(C)CN(CC)C(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190237981 967683806 /nfs/dbraw/zinc/68/38/06/967683806.db2.gz GQYABXXPMZSCOJ-KZNAEPCWSA-N 2 0 364.534 1.284 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000849097496 977313984 /nfs/dbraw/zinc/31/39/84/977313984.db2.gz RLOCECHDAAWNTN-IBGZPJMESA-N 2 0 365.566 1.528 20 30 FDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C2 ZINC000884221974 982996017 /nfs/dbraw/zinc/99/60/17/982996017.db2.gz FAXQCEJUEITUNG-XTBIFASLSA-N 2 0 352.482 1.907 20 30 FDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C1)C2 ZINC000884369431 983119993 /nfs/dbraw/zinc/11/99/93/983119993.db2.gz CSXFUTZSKGEKLI-XAPCHVNDSA-N 2 0 364.493 1.859 20 30 FDEDRP CC[NH+]1CCN(c2ccc(NC[C@H](O)CN(C)CCC#N)cc2F)CC1 ZINC000872239463 987535758 /nfs/dbraw/zinc/53/57/58/987535758.db2.gz IKIFTAXYZFBOJD-KRWDZBQOSA-N 2 0 363.481 1.586 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)CC1 ZINC000875248378 991190574 /nfs/dbraw/zinc/19/05/74/991190574.db2.gz RZLLWQMWCLXNDB-UHFFFAOYSA-N 2 0 364.534 1.781 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000876724347 992837153 /nfs/dbraw/zinc/83/71/53/992837153.db2.gz UTAZLHYRLWJELN-FQEVSTJZSA-N 2 0 368.481 1.316 20 30 FDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000876740274 992857414 /nfs/dbraw/zinc/85/74/14/992857414.db2.gz KGGMTDKPKOJPGT-OAHLLOKOSA-N 2 0 352.866 1.064 20 30 FDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000876896669 992957198 /nfs/dbraw/zinc/95/71/98/992957198.db2.gz KLSNHCFZRGFDGD-IAGOWNOFSA-N 2 0 351.878 1.864 20 30 FDEDRP Cn1ncc(C[NH3+])c1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000876951220 992979785 /nfs/dbraw/zinc/97/97/85/992979785.db2.gz HJXUOWGVTWXTBB-UHFFFAOYSA-N 2 0 352.442 1.145 20 30 FDEDRP C[NH+]1CCC(NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000877898063 993544590 /nfs/dbraw/zinc/54/45/90/993544590.db2.gz FRJMLIRZYCJHKO-UHFFFAOYSA-N 2 0 369.513 1.276 20 30 FDEDRP CCN1CC[NH+](CCCCNC(=[NH2+])NCCc2ccc(OC)cc2)CC1 ZINC000264067273 997392914 /nfs/dbraw/zinc/39/29/14/997392914.db2.gz BVJCQHGYFKCOQA-UHFFFAOYSA-N 2 0 361.534 1.560 20 30 FDEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1 ZINC000267832696 999401115 /nfs/dbraw/zinc/40/11/15/999401115.db2.gz DNQVFRJOIFMZIY-INIZCTEOSA-N 2 0 366.506 1.507 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000270405530 999554326 /nfs/dbraw/zinc/55/43/26/999554326.db2.gz GNQZTYYPASNKFS-ROUUACIJSA-N 2 0 357.502 1.424 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCN1C(=O)c2ccccc2C1=O ZINC000284956814 999887539 /nfs/dbraw/zinc/88/75/39/999887539.db2.gz FDHDGBDLWZRDKB-CQSZACIVSA-N 2 0 357.458 1.061 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000249388067 1008206586 /nfs/dbraw/zinc/20/65/86/1008206586.db2.gz XGQOVIIFQVBIBT-UXHICEINSA-N 3 0 373.545 1.666 20 30 FDEDRP C[C@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000303903371 1009685477 /nfs/dbraw/zinc/68/54/77/1009685477.db2.gz UJRJRMSYMZKRFT-HZPDHXFCSA-N 2 0 367.538 1.974 20 30 FDEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C2)C1 ZINC000963815140 1012729652 /nfs/dbraw/zinc/72/96/52/1012729652.db2.gz DJSAJIWSTBRBOF-FAFJLIIVSA-N 2 0 359.514 1.384 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000530232106 539915747 /nfs/dbraw/zinc/91/57/47/539915747.db2.gz NFGLLISWKAYIBC-GUDVDZBRSA-N 2 0 359.470 1.265 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000553395532 543625849 /nfs/dbraw/zinc/62/58/49/543625849.db2.gz KROHLZARAUWREM-AEFFLSMTSA-N 2 0 364.534 1.474 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000553735418 543688359 /nfs/dbraw/zinc/68/83/59/543688359.db2.gz SORXIODIPNDUEY-MRXNPFEDSA-N 2 0 364.534 1.332 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000555674723 544002320 /nfs/dbraw/zinc/00/23/20/544002320.db2.gz QBYBVBDPYGSOLZ-UHFFFAOYSA-N 2 0 350.507 1.132 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccn(CCC#N)n1 ZINC000173373719 524377347 /nfs/dbraw/zinc/37/73/47/524377347.db2.gz DSDXBJNSNPNAEL-INIZCTEOSA-N 2 0 361.494 1.677 20 30 FDEDRP C[NH+]=C(NCc1cccnc1-n1ccnc1)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000158346561 524450649 /nfs/dbraw/zinc/45/06/49/524450649.db2.gz DPLCWPMUEAUNFS-WBVHZDCISA-N 2 0 355.490 1.661 20 30 FDEDRP Cc1c(C#N)cccc1NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000178425603 525426764 /nfs/dbraw/zinc/42/67/64/525426764.db2.gz ODBOCRJTEZOQFI-UHFFFAOYSA-N 2 0 373.501 1.537 20 30 FDEDRP CC[NH+]1CCN([C@H]2CC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000118834424 525554720 /nfs/dbraw/zinc/55/47/20/525554720.db2.gz IVGDWWDCANGDSZ-IBGZPJMESA-N 2 0 355.486 1.599 20 30 FDEDRP COc1ccccc1CNC(=[NH2+])NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000180454895 525710306 /nfs/dbraw/zinc/71/03/06/525710306.db2.gz GSNBZOZTOHQJFJ-IBGZPJMESA-N 2 0 368.481 1.866 20 30 FDEDRP Cc1cccc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1C#N ZINC000156081996 526051448 /nfs/dbraw/zinc/05/14/48/526051448.db2.gz KPLHRPQJDIVHDI-UHFFFAOYSA-N 2 0 366.531 1.761 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000171726406 526095643 /nfs/dbraw/zinc/09/56/43/526095643.db2.gz BJWJCNYCRRQLEL-UHFFFAOYSA-N 2 0 372.517 1.283 20 30 FDEDRP CC[N@@H+]1CC[C@H](CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000133887311 526104456 /nfs/dbraw/zinc/10/44/56/526104456.db2.gz OVOQEFMFCNEVPK-CABCVRRESA-N 2 0 351.495 1.209 20 30 FDEDRP C[NH+](C)CCOc1cc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)ccn1 ZINC000134550696 526163855 /nfs/dbraw/zinc/16/38/55/526163855.db2.gz KTJCYOKUISUCHS-KRWDZBQOSA-N 2 0 369.469 1.950 20 30 FDEDRP C[C@](C#N)(NC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)C1CC1 ZINC000182963098 535895376 /nfs/dbraw/zinc/89/53/76/535895376.db2.gz RDIAMKBZWBFBPD-HXUWFJFHSA-N 2 0 362.518 1.619 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc(COc2ccccc2)n[nH]1 ZINC000184654496 536173227 /nfs/dbraw/zinc/17/32/27/536173227.db2.gz PKYCTJQRINJPKE-AWEZNQCLSA-N 2 0 357.462 1.272 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000562871909 546301619 /nfs/dbraw/zinc/30/16/19/546301619.db2.gz UKEITHCUFOVQJN-UHFFFAOYSA-N 2 0 362.518 1.134 20 30 FDEDRP CC[NH+](CC)CCS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000569054098 548778978 /nfs/dbraw/zinc/77/89/78/548778978.db2.gz GCPQAAQQDIQMFG-UHFFFAOYSA-N 2 0 366.531 1.593 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000572550423 549940406 /nfs/dbraw/zinc/94/04/06/549940406.db2.gz IWZCWJOPAOYZFF-UHFFFAOYSA-N 2 0 364.534 1.333 20 30 FDEDRP CC[NH+](CC)CCOC1CC[NH+](C[C@H]2CNc3c(C#N)cnn3C2)CC1 ZINC000576943372 550602555 /nfs/dbraw/zinc/60/25/55/550602555.db2.gz FAHCAYLCDPYKGR-MRXNPFEDSA-N 2 0 360.506 1.619 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000579389058 550868556 /nfs/dbraw/zinc/86/85/56/550868556.db2.gz XMKXCZFETACVFM-AEFFLSMTSA-N 2 0 364.534 1.332 20 30 FDEDRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000591736736 551904781 /nfs/dbraw/zinc/90/47/81/551904781.db2.gz MUFRPFVJXJAELE-MJGOQNOKSA-N 2 0 358.486 1.056 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000593712908 552180572 /nfs/dbraw/zinc/18/05/72/552180572.db2.gz SGUWFFANEKFZAI-INIZCTEOSA-N 2 0 355.486 1.821 20 30 FDEDRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCO1 ZINC000593721575 552182240 /nfs/dbraw/zinc/18/22/40/552182240.db2.gz PUOIEEGZIWDLJH-KXBFYZLASA-N 2 0 371.485 1.280 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)CC2)c1 ZINC000593722594 552182940 /nfs/dbraw/zinc/18/29/40/552182940.db2.gz XHRMWRGMXGVDTP-AZUAARDMSA-N 2 0 367.497 1.916 20 30 FDEDRP CN(C(=O)[C@H]([NH3+])CCCCC#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000594438644 552310520 /nfs/dbraw/zinc/31/05/20/552310520.db2.gz PEESIVSPXJPNJX-LJQANCHMSA-N 2 0 357.502 1.958 20 30 FDEDRP COC1CC[NH+](C2(CNC(=O)[C@@H]([NH3+])CCCCC#N)CCCC2)CC1 ZINC000594439591 552310715 /nfs/dbraw/zinc/31/07/15/552310715.db2.gz XOISYARQHDYRRW-KRWDZBQOSA-N 2 0 350.507 1.937 20 30 FDEDRP N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC2)cc1 ZINC000594536779 552330554 /nfs/dbraw/zinc/33/05/54/552330554.db2.gz IVMRJMVRJFCNQN-HNNXBMFYSA-N 2 0 369.391 1.665 20 30 FDEDRP N#CC[C@@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000595478895 552569670 /nfs/dbraw/zinc/56/96/70/552569670.db2.gz HJFHYRHEPIFRKU-SFHVURJKSA-N 2 0 370.501 1.929 20 30 FDEDRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000597943276 552848799 /nfs/dbraw/zinc/84/87/99/552848799.db2.gz WTZLGCNJGXRRCT-LPHOPBHVSA-N 2 0 355.486 1.629 20 30 FDEDRP N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCOCC1 ZINC000600736832 553309081 /nfs/dbraw/zinc/30/90/81/553309081.db2.gz SWMUYUXVFJXBQA-PMACEKPBSA-N 2 0 373.497 1.414 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1([S@](C)=O)CC[NH2+]CC1)C(C)C ZINC000602471798 553588351 /nfs/dbraw/zinc/58/83/51/553588351.db2.gz IVQYVCVWUAWPAX-FYSMJZIKSA-N 2 0 355.548 1.302 20 30 FDEDRP C=C(CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000620748099 555978581 /nfs/dbraw/zinc/97/85/81/555978581.db2.gz LPXOHNCYYZCJRC-TVFCKZIOSA-N 2 0 364.534 1.521 20 30 FDEDRP C[NH+](C)CCC[C@H]1CN(CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000625564008 556855393 /nfs/dbraw/zinc/85/53/93/556855393.db2.gz XGOWQDUMLYDOCJ-KRWDZBQOSA-N 2 0 369.465 1.329 20 30 FDEDRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000272945581 674491318 /nfs/dbraw/zinc/49/13/18/674491318.db2.gz CRZBLSYTHQYBSP-UHFFFAOYSA-N 2 0 366.531 1.593 20 30 FDEDRP CC(C)(C)OC(=O)N1CCN2C(NCC[NH+]3CCCCC3)=[NH+]C[C@@H]2C1 ZINC000089120210 671491725 /nfs/dbraw/zinc/49/17/25/671491725.db2.gz JRQRVNVCWGNHJB-OAHLLOKOSA-N 2 0 351.495 1.353 20 30 FDEDRP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C(C)C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261968292 672704316 /nfs/dbraw/zinc/70/43/16/672704316.db2.gz MAJKXKWNAQYNAS-HNNXBMFYSA-N 2 0 358.552 1.191 20 30 FDEDRP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CC[C@@]2(CCOC2)C1 ZINC000261989624 672707672 /nfs/dbraw/zinc/70/76/72/672707672.db2.gz QZYBBZUXCVUAPJ-GOSISDBHSA-N 2 0 350.507 1.319 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000368519586 677500176 /nfs/dbraw/zinc/50/01/76/677500176.db2.gz SGOXVUXRBNBQTC-WMZOPIPTSA-N 2 0 350.507 1.437 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000532264492 694870180 /nfs/dbraw/zinc/87/01/80/694870180.db2.gz YZGUULQFGCLNED-MSOLQXFVSA-N 2 0 350.507 1.314 20 30 FDEDRP CC(C)(CC#N)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000458101387 780492558 /nfs/dbraw/zinc/49/25/58/780492558.db2.gz HHYSZNYQMKBJPS-UHFFFAOYSA-N 2 0 358.490 1.833 20 30 FDEDRP C=C(C)CN(CC)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104622147 788948463 /nfs/dbraw/zinc/94/84/63/788948463.db2.gz RGPNYDGLMQCYHB-QZTJIDSGSA-N 2 0 366.550 1.437 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000892851370 791454338 /nfs/dbraw/zinc/45/43/38/791454338.db2.gz ILSBRQITXXDYPV-ROUUACIJSA-N 2 0 350.507 1.268 20 30 FDEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001104932957 794452952 /nfs/dbraw/zinc/45/29/52/794452952.db2.gz XLVPECISMUFJGT-IAGOWNOFSA-N 2 0 352.523 1.095 20 30 FDEDRP C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@H]2C)C1=O ZINC001104937848 794475916 /nfs/dbraw/zinc/47/59/16/794475916.db2.gz JLSFSVKOPLWULK-KZNAEPCWSA-N 2 0 364.534 1.189 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH+]([C@H](C)C(=O)NCC=C)CC2 ZINC000364080266 795135954 /nfs/dbraw/zinc/13/59/54/795135954.db2.gz FKLRZAFQHGBFKS-IAGOWNOFSA-N 2 0 362.518 1.156 20 30 FDEDRP C[NH+]=C(NCC1(N2CCCCC2)CC[NH+](C)CC1)N(C)C[C@H]1CCOC1 ZINC000261667968 809374619 /nfs/dbraw/zinc/37/46/19/809374619.db2.gz OVKMEEIOOFMSSR-GOSISDBHSA-N 2 0 365.566 1.480 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC#C)CC2)C[C@H]1c1ccccc1 ZINC001211730357 809675345 /nfs/dbraw/zinc/67/53/45/809675345.db2.gz YNCXYEJHBSCHOB-FCHUYYIVSA-N 2 0 363.505 1.939 20 30 FDEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000424139823 815316725 /nfs/dbraw/zinc/31/67/25/815316725.db2.gz FMWQROCZYPVWJB-KRWDZBQOSA-N 2 0 357.458 1.472 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000664016957 810165785 /nfs/dbraw/zinc/16/57/85/810165785.db2.gz TWDXVFQLEFOHRU-SFHVURJKSA-N 2 0 350.507 1.268 20 30 FDEDRP C=CCCN(C)C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420214462 813559681 /nfs/dbraw/zinc/55/96/81/813559681.db2.gz ZZPNHBMABRFDCD-UHFFFAOYSA-N 2 0 358.486 1.131 20 30 FDEDRP Cc1nnc(CNC(=[NH+]C2CC2)N2CC[NH+](C3CCCCC3)CC2)n1C ZINC000261951096 817563958 /nfs/dbraw/zinc/56/39/58/817563958.db2.gz HKTYGTHASZAXSN-UHFFFAOYSA-N 2 0 359.522 1.682 20 30 FDEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001112157892 820102906 /nfs/dbraw/zinc/10/29/06/820102906.db2.gz IEMBEJPFMNNBLU-HUUCEWRRSA-N 2 0 363.424 1.510 20 30 FDEDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cnc4c(C#N)cnn4c3)cc2)CC1 ZINC000895607571 822670187 /nfs/dbraw/zinc/67/01/87/822670187.db2.gz PVFCMDSEDMJGBE-UHFFFAOYSA-N 2 0 361.453 1.643 20 30 FDEDRP C[C@H](O)CN1CCN(C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329441577 824794427 /nfs/dbraw/zinc/79/44/27/824794427.db2.gz NBVAGTHAWNHCDD-GJZGRUSLSA-N 2 0 363.506 1.408 20 30 FDEDRP CC#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CCO2 ZINC001105470673 837602466 /nfs/dbraw/zinc/60/24/66/837602466.db2.gz BQCDQKXQLVOVOC-KYBDOYODSA-N 2 0 361.530 1.870 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C(C)C)C[C@H]1O ZINC001105637622 842272586 /nfs/dbraw/zinc/27/25/86/842272586.db2.gz STTLYDMMCJTHRY-QCFAMHMHSA-N 2 0 361.530 1.460 20 30 FDEDRP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001105653090 842457263 /nfs/dbraw/zinc/45/72/63/842457263.db2.gz RIEWUGGLMFODBS-DCXXXQMHSA-N 2 0 361.530 1.318 20 30 FDEDRP C=CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105658703 842496906 /nfs/dbraw/zinc/49/69/06/842496906.db2.gz IQTSBTVRGXWPFS-IZBJGVDFSA-N 2 0 367.534 1.107 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000899099264 845793700 /nfs/dbraw/zinc/79/37/00/845793700.db2.gz XSPQLTVTRUKJBM-HXUWFJFHSA-N 2 0 371.529 1.752 20 30 FDEDRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001077127607 849834191 /nfs/dbraw/zinc/83/41/91/849834191.db2.gz BNNRNXHXMFJTQQ-NJDAHSKKSA-N 2 0 369.509 1.177 20 30 FDEDRP C[NH+](C)CC#CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000913523789 862289577 /nfs/dbraw/zinc/28/95/77/862289577.db2.gz MOSWSIAQWLUPKH-IAGOWNOFSA-N 2 0 367.415 1.978 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC(C(C)(C)C[NH3+])CC2)CC1 ZINC000911236238 858348296 /nfs/dbraw/zinc/34/82/96/858348296.db2.gz NNILUNSKLDXXDA-UHFFFAOYSA-N 2 0 364.534 1.367 20 30 FDEDRP C#CC[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000914253159 872024605 /nfs/dbraw/zinc/02/46/05/872024605.db2.gz XHKSXQZFAXMGEV-UHFFFAOYSA-N 2 0 355.486 1.443 20 30 FDEDRP C[NH+]=C(NCc1ccn(C)c1)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000153300503 874474410 /nfs/dbraw/zinc/47/44/10/874474410.db2.gz HLFKKPRXZIUCFZ-UHFFFAOYSA-N 2 0 360.550 1.640 20 30 FDEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC001005408502 883252434 /nfs/dbraw/zinc/25/24/34/883252434.db2.gz ATCBDGSWKOSZOU-UXHICEINSA-N 2 0 361.530 1.679 20 30 FDEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129048412 885530750 /nfs/dbraw/zinc/53/07/50/885530750.db2.gz BOYUUYDVTVMNIS-BBWFWOEESA-N 2 0 360.506 1.459 20 30 FDEDRP C=C(C)C[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001128106955 896958379 /nfs/dbraw/zinc/95/83/79/896958379.db2.gz JUSUWEMAMWEOJX-NZSAHSFTSA-N 2 0 371.529 1.782 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ccccc3C)C[C@H]2O)CC1 ZINC001078228083 898430659 /nfs/dbraw/zinc/43/06/59/898430659.db2.gz CBEYYHIPTZCLAF-DUXKGJEZSA-N 2 0 369.509 1.563 20 30 FDEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001107071062 900494543 /nfs/dbraw/zinc/49/45/43/900494543.db2.gz DBRQOZBZYUBPCB-QZTJIDSGSA-N 2 0 364.534 1.239 20 30 FDEDRP C#CCC[NH+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079258125 902290892 /nfs/dbraw/zinc/29/08/92/902290892.db2.gz OLBJCIGLRZVUNB-RBUKOAKNSA-N 2 0 359.514 1.291 20 30 FDEDRP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1=O ZINC000996602120 904323514 /nfs/dbraw/zinc/32/35/14/904323514.db2.gz DOYQAZGBSBTMQB-RCCFBDPRSA-N 2 0 362.518 1.084 20 30 FDEDRP CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC#CCOC)CC3)CC[N@@H+]1C ZINC001107413645 904818183 /nfs/dbraw/zinc/81/81/83/904818183.db2.gz JQMIKQVNUKCDFD-QEUVDIPISA-N 2 0 361.530 1.727 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC#CCOC)CC3)CC1 ZINC001107643568 906218658 /nfs/dbraw/zinc/21/86/58/906218658.db2.gz NNISLYUYSAZHNY-IFMALSPDSA-N 2 0 371.525 1.342 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCCOC)CC3)CC1 ZINC001107643619 906220451 /nfs/dbraw/zinc/22/04/51/906220451.db2.gz OQYVPVDDHCWGLK-TZIWHRDSSA-N 2 0 361.530 1.729 20 30 FDEDRP COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)cc1C#N ZINC001080781267 906252480 /nfs/dbraw/zinc/25/24/80/906252480.db2.gz TVGCSZOYFXOEQB-SZVBFZGTSA-N 2 0 370.497 1.845 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C)C[C@H]2OC)CC1 ZINC001082383160 907372342 /nfs/dbraw/zinc/37/23/42/907372342.db2.gz KVLABVOKOXSHNR-NHCUHLMSSA-N 2 0 369.509 1.656 20 30 FDEDRP C[C@@H]1CN(C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3cccc(C#N)c3)CC2)O1 ZINC000997854452 909827995 /nfs/dbraw/zinc/82/79/95/909827995.db2.gz FENPGIQVWWNMKK-OXQOHEQNSA-N 2 0 370.497 1.606 20 30 FDEDRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001082862050 910526710 /nfs/dbraw/zinc/52/67/10/910526710.db2.gz WWDLQAHZMOHZEU-SIXWZSSISA-N 2 0 358.461 1.976 20 30 FDEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@@H]21 ZINC001084942146 918637685 /nfs/dbraw/zinc/63/76/85/918637685.db2.gz DMCBDFMLDOJKLS-PBASOCQRSA-N 2 0 373.541 1.679 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2conc2C)CC1 ZINC001085432846 924679936 /nfs/dbraw/zinc/67/99/36/924679936.db2.gz SQHDSKUAKBDCMR-RTBURBONSA-N 2 0 358.486 1.845 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2c2ccccc2)CC1 ZINC001086625040 938509056 /nfs/dbraw/zinc/50/90/56/938509056.db2.gz HUELZLARBLXGNA-JRGCBEDISA-N 2 0 369.509 1.297 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1c1cn(C)cn1 ZINC001130622043 939920448 /nfs/dbraw/zinc/92/04/48/939920448.db2.gz MOOWETWBSPOOQI-SXLOBPIMSA-N 2 0 371.529 1.448 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130662459 939967776 /nfs/dbraw/zinc/96/77/76/939967776.db2.gz ZCBVAQKNZYCCST-QXAKKESOSA-N 2 0 361.534 1.857 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130672355 939971489 /nfs/dbraw/zinc/97/14/89/939971489.db2.gz OIBRTAMPNRECRO-ZIFCJYIRSA-N 2 0 359.518 1.612 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1c1cncn1C ZINC001131038504 940466900 /nfs/dbraw/zinc/46/69/00/940466900.db2.gz VQANQIBAHIHZNH-QZTJIDSGSA-N 2 0 371.529 1.592 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1cncn1C ZINC001131055583 940481423 /nfs/dbraw/zinc/48/14/23/940481423.db2.gz CTDOACLGVRYNOI-IAGOWNOFSA-N 2 0 359.518 1.612 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1c1cncn1C ZINC001131073534 940483328 /nfs/dbraw/zinc/48/33/28/940483328.db2.gz GFTRJSRPYVLWMP-KURKYZTESA-N 2 0 359.518 1.448 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1c1cncn1C ZINC001131070305 940484477 /nfs/dbraw/zinc/48/44/77/940484477.db2.gz ONGJEJZFRYHMFC-KZNAEPCWSA-N 2 0 359.518 1.755 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131132360 940512385 /nfs/dbraw/zinc/51/23/85/940512385.db2.gz GTZXVSCZTPRFJR-QWFCFKBJSA-N 2 0 371.529 1.448 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131133044 940512722 /nfs/dbraw/zinc/51/27/22/940512722.db2.gz ZIDHVWLFLWAKGE-GGPKGHCWSA-N 2 0 371.529 1.448 20 30 FDEDRP C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001131496387 940647902 /nfs/dbraw/zinc/64/79/02/940647902.db2.gz YMBZMCUBVYFBGC-AQNXPRMDSA-N 2 0 361.530 1.890 20 30 FDEDRP C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001131496388 940647920 /nfs/dbraw/zinc/64/79/20/940647920.db2.gz YMBZMCUBVYFBGC-ZCNNSNEGSA-N 2 0 361.530 1.890 20 30 FDEDRP C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001131593147 940764278 /nfs/dbraw/zinc/76/42/78/940764278.db2.gz ODFFIUOOBZCCDF-MJGOQNOKSA-N 2 0 353.507 1.126 20 30 FDEDRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000819139706 943435651 /nfs/dbraw/zinc/43/56/51/943435651.db2.gz HQQQNYQUFINGTN-IBGZPJMESA-N 2 0 372.513 1.808 20 30 FDEDRP C#CCNC(=O)CC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856604110 971249724 /nfs/dbraw/zinc/24/97/24/971249724.db2.gz JJBWKVMWRYJQQQ-IBGZPJMESA-N 2 0 358.486 1.514 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1c1ccc(OC)cc1 ZINC001090880912 947597910 /nfs/dbraw/zinc/59/79/10/947597910.db2.gz QAJBHTRRLXFHTC-LSTHTHJFSA-N 2 0 355.482 1.697 20 30 FDEDRP CC(C)[NH+]1CCN(c2ccc(NC(=[NH2+])c3ccc(C(N)=O)cc3)cn2)CC1 ZINC001171257086 951696826 /nfs/dbraw/zinc/69/68/26/951696826.db2.gz XCCKYNRCXYWLGZ-UHFFFAOYSA-N 2 0 366.469 1.748 20 30 FDEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)[C@@H](C)C1 ZINC000772981441 952409961 /nfs/dbraw/zinc/40/99/61/952409961.db2.gz DFORHVLKEBSVAV-SMXHQDLGSA-N 2 0 364.490 1.239 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086874662 952924862 /nfs/dbraw/zinc/92/48/62/952924862.db2.gz NCEZWVJETPYZJN-JENIJYKNSA-N 2 0 370.497 1.893 20 30 FDEDRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)C1 ZINC001086874492 952924930 /nfs/dbraw/zinc/92/49/30/952924930.db2.gz GBDDMOOJYZBIEM-IPMKNSEASA-N 2 0 370.497 1.915 20 30 FDEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1c1cnn(C)c1 ZINC001086982110 953034775 /nfs/dbraw/zinc/03/47/75/953034775.db2.gz UCGUXVOSFKRJEY-YTQUADARSA-N 2 0 359.518 1.468 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1c1cnn(C)c1 ZINC001087004352 953062342 /nfs/dbraw/zinc/06/23/42/953062342.db2.gz UJEFBNVFDWLAMF-RBUKOAKNSA-N 2 0 357.502 1.058 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4ccnn4C)C[C@@]3(C)C2)CC1 ZINC001092300462 954748621 /nfs/dbraw/zinc/74/86/21/954748621.db2.gz WKXQAUBFEBYDFD-NQIIRXRSSA-N 2 0 369.513 1.046 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093193951 957753326 /nfs/dbraw/zinc/75/33/26/957753326.db2.gz QYTPIQWSCGNSFJ-QGPMSJSTSA-N 2 0 358.461 1.833 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093194999 957756330 /nfs/dbraw/zinc/75/63/30/957756330.db2.gz IOVMJUQPAZKCRH-FHLIZLRMSA-N 2 0 358.461 1.833 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]2C)CC1 ZINC001093223912 957854490 /nfs/dbraw/zinc/85/44/90/957854490.db2.gz JGXBZWZZJKYSEF-QWFCFKBJSA-N 2 0 361.530 1.442 20 30 FDEDRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F ZINC001094220974 960045847 /nfs/dbraw/zinc/04/58/47/960045847.db2.gz IMWDRRXSWKOSND-CRAIPNDOSA-N 2 0 358.461 1.977 20 30 FDEDRP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405519 966298956 /nfs/dbraw/zinc/29/89/56/966298956.db2.gz JMUBMWQPZFMDTO-PKOBYXMFSA-N 2 0 356.470 1.090 20 30 FDEDRP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001189136449 966788206 /nfs/dbraw/zinc/78/82/06/966788206.db2.gz YGVRBJGGNOCARJ-SQGPQFPESA-N 2 0 367.509 1.934 20 30 FDEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001191468838 968524406 /nfs/dbraw/zinc/52/44/06/968524406.db2.gz PRLCRYTVNXFSHX-QRVBRYPASA-N 2 0 365.518 1.365 20 30 FDEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC1CCC1 ZINC001110678560 968660023 /nfs/dbraw/zinc/66/00/23/968660023.db2.gz ARMZSDYEAGNMQE-ZRNYENFQSA-N 2 0 359.514 1.622 20 30 FDEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CCCO1 ZINC001201453627 975067543 /nfs/dbraw/zinc/06/75/43/975067543.db2.gz CSKPOIRSPLBTJH-NJYVYQBISA-N 2 0 369.509 1.562 20 30 FDEDRP C#CCC[NH+]1CCC(NC(=O)C2CC[NH+](C3CCN(CC)CC3)CC2)CC1 ZINC000847516353 975759730 /nfs/dbraw/zinc/75/97/30/975759730.db2.gz WAPCYIINVTYBQK-UHFFFAOYSA-N 2 0 374.573 1.787 20 30 FDEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000849097500 977314508 /nfs/dbraw/zinc/31/45/08/977314508.db2.gz RLOCECHDAAWNTN-LJQANCHMSA-N 2 0 365.566 1.528 20 30 FDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1cccc(C[NH+]3CCC(O)CC3)c1)C2 ZINC000884190331 982966441 /nfs/dbraw/zinc/96/64/41/982966441.db2.gz AXCHUFWETLKPSJ-BQIYRTECSA-N 2 0 368.481 1.721 20 30 FDEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)C2 ZINC000884401291 983138890 /nfs/dbraw/zinc/13/88/90/983138890.db2.gz KFLKFPIBKFLZLC-LSNYBQGISA-N 2 0 368.481 1.009 20 30 FDEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)C2 ZINC000884404188 983140517 /nfs/dbraw/zinc/14/05/17/983140517.db2.gz FMVDFCFUNRXOEM-OHPNTZFESA-N 2 0 356.445 1.527 20 30 FDEDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(CCC#N)cc1 ZINC000884998565 985055017 /nfs/dbraw/zinc/05/50/17/985055017.db2.gz UNEJEOOKRBTSHJ-UHFFFAOYSA-N 2 0 352.504 1.257 20 30 FDEDRP CN(C)c1cc(C#N)cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870018748 985521191 /nfs/dbraw/zinc/52/11/91/985521191.db2.gz VRMPJTUXEQSORA-QZTJIDSGSA-N 2 0 357.502 1.436 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C[C@H]1C[NH+](C)C ZINC000870020966 985525801 /nfs/dbraw/zinc/52/58/01/985525801.db2.gz XNVHDNLBIXIGFK-QZTJIDSGSA-N 2 0 372.513 1.913 20 30 FDEDRP C#CCN(C(=O)c1cccc(N2CC[NH+](C)CC2)n1)C1CC[NH+](C)CC1 ZINC000886579149 986379444 /nfs/dbraw/zinc/37/94/44/986379444.db2.gz ZYKBDWDISRSUJS-UHFFFAOYSA-N 2 0 355.486 1.003 20 30 FDEDRP Cc1cccc(C#N)c1S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000872510152 987733535 /nfs/dbraw/zinc/73/35/35/987733535.db2.gz JTYQLEPLFDSXNL-IAGOWNOFSA-N 2 0 364.515 1.227 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)CC1 ZINC000361017131 988249579 /nfs/dbraw/zinc/24/95/79/988249579.db2.gz DQMGOKBEABEFQO-SFHVURJKSA-N 2 0 363.550 1.306 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000361576288 988418299 /nfs/dbraw/zinc/41/82/99/988418299.db2.gz NYBLXTYYIJZNQR-HKUYNNGSSA-N 2 0 364.534 1.827 20 30 FDEDRP C#CCNC(=O)C1CC[NH+](C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000366942037 988857875 /nfs/dbraw/zinc/85/78/75/988857875.db2.gz CBJVISSVEMVJFT-NRFANRHFSA-N 2 0 369.509 1.739 20 30 FDEDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)cc1 ZINC000876505900 992671240 /nfs/dbraw/zinc/67/12/40/992671240.db2.gz CIMBOOIFMNHBDY-WOJBJXKFSA-N 2 0 363.465 1.627 20 30 FDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000876762648 992886264 /nfs/dbraw/zinc/88/62/64/992886264.db2.gz GHXFJDJWOXCVQH-MRXNPFEDSA-N 2 0 364.877 1.921 20 30 FDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000876777717 992903033 /nfs/dbraw/zinc/90/30/33/992903033.db2.gz POSPECPNDANEIX-CQSZACIVSA-N 2 0 358.914 1.199 20 30 FDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000876782308 992908864 /nfs/dbraw/zinc/90/88/64/992908864.db2.gz VQWSKYFTUULUAC-GOSISDBHSA-N 2 0 364.921 1.910 20 30 FDEDRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876922808 992969420 /nfs/dbraw/zinc/96/94/20/992969420.db2.gz LTGBTTCRXVQVJN-OALUTQOASA-N 2 0 352.482 1.982 20 30 FDEDRP C[C@@]12CN(C(=O)C#CC3CC[NH2+]CC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000877352260 993238521 /nfs/dbraw/zinc/23/85/21/993238521.db2.gz CCCWNHGRHGKWQT-RBBKRZOGSA-N 2 0 351.494 1.970 20 30 FDEDRP C[C@@H](O)[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@H+]3CC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000878393070 993938744 /nfs/dbraw/zinc/93/87/44/993938744.db2.gz ZVBGXCVTSKTWEA-VAKZPMALSA-N 2 0 357.498 1.964 20 30 FDEDRP C[NH+](Cc1cc(C#N)cc(C[N@H+](C)C[C@H]2C[C@@H](O)C2)c1)C[C@H]1C[C@@H](O)C1 ZINC000879056723 994497715 /nfs/dbraw/zinc/49/77/15/994497715.db2.gz TVNSCCGJMSEESU-MAOYLDMRSA-N 2 0 357.498 1.964 20 30 FDEDRP N#Cc1cccc(CN2CCC([NH2+][C@@H]3[C@@H]4COC[C@H]3C[C@H]([NH3+])C4)CC2)c1 ZINC000925701908 995730462 /nfs/dbraw/zinc/73/04/62/995730462.db2.gz IBRFVUYQMJVWIB-KBCPTCDJSA-N 2 0 354.498 1.865 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(OCC(=O)N(C)C)c1 ZINC000264081753 997398654 /nfs/dbraw/zinc/39/86/54/997398654.db2.gz IUDNNVQYMYCGMS-INIZCTEOSA-N 2 0 361.490 1.042 20 30 FDEDRP COC[C@@H](C)NC(=[NH2+])NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000264111675 997403840 /nfs/dbraw/zinc/40/38/40/997403840.db2.gz QYMNWSVKKREIEY-GOSISDBHSA-N 2 0 361.534 1.524 20 30 FDEDRP COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001111023614 1004743579 /nfs/dbraw/zinc/74/35/79/1004743579.db2.gz SGQOJDPFXXDXCE-NJYVYQBISA-N 2 0 369.509 1.776 20 30 FDEDRP CC(C)[NH+](CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)C(C)C ZINC000089120010 1006010422 /nfs/dbraw/zinc/01/04/22/1006010422.db2.gz NEYXUBODFPWKDF-INIZCTEOSA-N 2 0 367.538 1.986 20 30 FDEDRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC#Cc4ccccc4)C[C@H]32)CC[N@@H+]1C ZINC000959970077 1009230673 /nfs/dbraw/zinc/23/06/73/1009230673.db2.gz ZFHBDDWIJWLILZ-WRTQPQOASA-N 2 0 351.494 1.815 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CCC)[C@H]2CC[N@H+](C)C2)CC1 ZINC000647028760 1009402966 /nfs/dbraw/zinc/40/29/66/1009402966.db2.gz ICFJOVJIMJQCFT-KRWDZBQOSA-N 2 0 350.507 1.086 20 30 FDEDRP N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000530233625 539916383 /nfs/dbraw/zinc/91/63/83/539916383.db2.gz ZDHLXDGKAGQHBB-AABGKKOBSA-N 2 0 373.497 1.655 20 30 FDEDRP C=CCN1C(=O)c2ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2C1=O ZINC000530880615 540061377 /nfs/dbraw/zinc/06/13/77/540061377.db2.gz DABJRGCBNDBHBQ-UHFFFAOYSA-N 2 0 372.469 1.034 20 30 FDEDRP COc1cc(C#N)ccc1OCC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126483374 173042818 /nfs/dbraw/zinc/04/28/18/173042818.db2.gz YVUJJVCOELKKRT-UHFFFAOYSA-N 2 0 360.502 1.903 20 30 FDEDRP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173953409 258315478 /nfs/dbraw/zinc/31/54/78/258315478.db2.gz VVAQKJLYSZFDMR-IBGZPJMESA-N 2 0 373.497 1.875 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000557769807 544344515 /nfs/dbraw/zinc/34/45/15/544344515.db2.gz SRESCDMINQZCBQ-SJORKVTESA-N 2 0 364.534 1.380 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000057170752 522022550 /nfs/dbraw/zinc/02/25/50/522022550.db2.gz DMNXBORNFJVGSV-UHFFFAOYSA-N 2 0 368.525 1.266 20 30 FDEDRP CC[NH+]1CCN(CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1 ZINC000080999854 523927254 /nfs/dbraw/zinc/92/72/54/523927254.db2.gz SUHIGDPJAWWZNC-UHFFFAOYSA-N 2 0 357.502 1.086 20 30 FDEDRP C[C@@H]1C[C@@H](CNC(=[NH2+])NCCCN2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000136876167 524219646 /nfs/dbraw/zinc/21/96/46/524219646.db2.gz WZEHYKVHFUJECC-QUCCMNQESA-N 2 0 373.545 1.524 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000104180138 525397319 /nfs/dbraw/zinc/39/73/19/525397319.db2.gz KPTOUOJGRWOTMJ-YLJYHZDGSA-N 2 0 373.545 1.796 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(OC)c(OC)cc1OC ZINC000104156569 525397934 /nfs/dbraw/zinc/39/79/34/525397934.db2.gz GSERMEFRFWXNPX-AWEZNQCLSA-N 2 0 350.463 1.601 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)CC1 ZINC000171737701 526103465 /nfs/dbraw/zinc/10/34/65/526103465.db2.gz VMOPQDAMJFDUJS-MRXNPFEDSA-N 2 0 350.507 1.532 20 30 FDEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418795471 537769563 /nfs/dbraw/zinc/76/95/63/537769563.db2.gz SAHDFXUUSCTSSX-SFHVURJKSA-N 2 0 359.474 1.010 20 30 FDEDRP CC[NH+]1CCC(N2CCCN(S(=O)(=O)CC(C)(C)CC#N)CC2)CC1 ZINC000570679771 549371810 /nfs/dbraw/zinc/37/18/10/549371810.db2.gz YDMYUDPBCHHZCV-UHFFFAOYSA-N 2 0 370.563 1.748 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000578747874 550797048 /nfs/dbraw/zinc/79/70/48/550797048.db2.gz WFRINXASJLRSSE-GOSISDBHSA-N 2 0 362.518 1.230 20 30 FDEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000580183184 550951926 /nfs/dbraw/zinc/95/19/26/550951926.db2.gz WXIRSVUHXYBMOO-MRXNPFEDSA-N 2 0 364.515 1.971 20 30 FDEDRP N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000591358527 551865718 /nfs/dbraw/zinc/86/57/18/551865718.db2.gz BSAREAVVBCRLRA-LJQANCHMSA-N 2 0 355.486 1.918 20 30 FDEDRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593886554 552217648 /nfs/dbraw/zinc/21/76/48/552217648.db2.gz REVYAFFLTFLONS-KRWDZBQOSA-N 2 0 370.497 1.607 20 30 FDEDRP C[N@H+](CCN1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1)Cc1ccccc1 ZINC000594438592 552310480 /nfs/dbraw/zinc/31/04/80/552310480.db2.gz OSCOFXKAYMZSNR-FQEVSTJZSA-N 2 0 371.529 1.674 20 30 FDEDRP N#CCCCC[C@H]([NH3+])C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000594439873 552310932 /nfs/dbraw/zinc/31/09/32/552310932.db2.gz VPMZSVRHBXHCJL-IBGZPJMESA-N 2 0 357.502 1.332 20 30 FDEDRP N#Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(C(F)(F)F)c1 ZINC000595890765 552629353 /nfs/dbraw/zinc/62/93/53/552629353.db2.gz FZKJLWXZWRGMKS-CQSZACIVSA-N 2 0 354.376 1.864 20 30 FDEDRP CCc1nc(C#N)cc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000596099364 552655225 /nfs/dbraw/zinc/65/52/25/552655225.db2.gz ZWAKRVXZNGLVGA-UHFFFAOYSA-N 2 0 351.458 1.930 20 30 FDEDRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)cc1 ZINC000600722120 553306920 /nfs/dbraw/zinc/30/69/20/553306920.db2.gz GGHQIQFJQSMFGC-GOSISDBHSA-N 2 0 361.486 1.788 20 30 FDEDRP C[N@@H+]1CCC[C@H](CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000089120864 671492012 /nfs/dbraw/zinc/49/20/12/671492012.db2.gz JPPHHTLIJGZIBB-HUUCEWRRSA-N 2 0 351.495 1.209 20 30 FDEDRP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCC[NH+]2CCCCC2)CC1 ZINC000170908589 672047799 /nfs/dbraw/zinc/04/77/99/672047799.db2.gz JKGWLHOJUQWJPL-UHFFFAOYSA-N 2 0 353.511 1.730 20 30 FDEDRP C[NH+]=C(NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCO[C@H](COC)C1 ZINC000261986477 672706865 /nfs/dbraw/zinc/70/68/65/672706865.db2.gz RWLXHJYPMZOBCD-BBWFWOEESA-N 2 0 354.539 1.666 20 30 FDEDRP C[NH+]=C(NCCN1CCSCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000262789081 672849905 /nfs/dbraw/zinc/84/99/05/672849905.db2.gz NJMBVRNYMFQWRV-UHFFFAOYSA-N 2 0 353.580 1.607 20 30 FDEDRP CC[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262794518 672850222 /nfs/dbraw/zinc/85/02/22/672850222.db2.gz OXEMPFJODLBRQB-FUHWJXTLSA-N 2 0 351.564 1.335 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)CCN1CC[NH+](CC)CC1)C(C)C ZINC000266823358 673199115 /nfs/dbraw/zinc/19/91/15/673199115.db2.gz IZBWFCJZOWNXIP-LJQANCHMSA-N 2 0 350.551 1.829 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)c1cc(OC)cc(OC)c1 ZINC000267462451 673306666 /nfs/dbraw/zinc/30/66/66/673306666.db2.gz VNPZXCKLVZVKSH-RHSMWYFYSA-N 2 0 350.463 1.126 20 30 FDEDRP CCC(CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)N1CCOCC1 ZINC000303790338 676542949 /nfs/dbraw/zinc/54/29/49/676542949.db2.gz WBWJMVGDCKAXNH-ROUUACIJSA-N 2 0 353.555 1.512 20 30 FDEDRP [NH2+]=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)N1CCSCC1 ZINC000303869361 676543341 /nfs/dbraw/zinc/54/33/41/676543341.db2.gz AVBTUPRMAAUGEQ-UHFFFAOYSA-N 2 0 361.559 1.558 20 30 FDEDRP COCC[N@H+](C)CCOc1cccc(CNC(=[NH2+])N2CCSCC2)c1 ZINC000303981570 676543948 /nfs/dbraw/zinc/54/39/48/676543948.db2.gz PGYJAECIMTZXFQ-UHFFFAOYSA-N 2 0 366.531 1.507 20 30 FDEDRP [NH2+]=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)N1CCOCC1 ZINC000304764095 676544537 /nfs/dbraw/zinc/54/45/37/676544537.db2.gz XOWRDNLEHLRCGU-UHFFFAOYSA-N 2 0 365.909 1.499 20 30 FDEDRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000330035570 676669555 /nfs/dbraw/zinc/66/95/55/676669555.db2.gz XOEJLDVAGYIBKY-SFHVURJKSA-N 2 0 351.539 1.533 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330246135 676680619 /nfs/dbraw/zinc/68/06/19/676680619.db2.gz YBCFUMWOVZKMAG-KURKYZTESA-N 2 0 352.523 1.694 20 30 FDEDRP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000378424618 678746811 /nfs/dbraw/zinc/74/68/11/678746811.db2.gz FGAVGXCBRLYRJL-MOPGFXCFSA-N 2 0 350.551 1.759 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000520708272 690350025 /nfs/dbraw/zinc/35/00/25/690350025.db2.gz MAZOFKAXQZTXQO-UHFFFAOYSA-N 2 0 350.507 1.581 20 30 FDEDRP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001104625684 788978288 /nfs/dbraw/zinc/97/82/88/788978288.db2.gz YKKJAACBYLOTRI-JFIYKMOQSA-N 2 0 364.534 1.093 20 30 FDEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001104916800 794367323 /nfs/dbraw/zinc/36/73/23/794367323.db2.gz GIOUBDQWXNYELQ-IAGOWNOFSA-N 2 0 358.486 1.485 20 30 FDEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001104925011 794423619 /nfs/dbraw/zinc/42/36/19/794423619.db2.gz XDOBUCRTVIFDJM-IAGOWNOFSA-N 2 0 352.523 1.095 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)C(C)C ZINC000417056827 794947236 /nfs/dbraw/zinc/94/72/36/794947236.db2.gz ACESSCSOYFJEPC-MOPGFXCFSA-N 2 0 363.550 1.374 20 30 FDEDRP C=CC[C@]1(C(=O)NCc2ccccc2OCCN2CCOCC2)CCC[NH2+]1 ZINC000662700212 806971737 /nfs/dbraw/zinc/97/17/37/806971737.db2.gz UUJOSWDCWWRFFI-OAQYLSRUSA-N 2 0 373.497 1.712 20 30 FDEDRP C=CC[C@]1(C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)CCC[NH2+]1 ZINC000662758656 803076109 /nfs/dbraw/zinc/07/61/09/803076109.db2.gz VONUCWXXMFSYKF-OAQYLSRUSA-N 2 0 372.513 1.950 20 30 FDEDRP C[NH+]=C(NCC1CC[NH+](C)CC1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000261707714 810072133 /nfs/dbraw/zinc/07/21/33/810072133.db2.gz JRHVSGIPILFPTP-LJQANCHMSA-N 2 0 366.550 1.954 20 30 FDEDRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)O1 ZINC001028628836 811655763 /nfs/dbraw/zinc/65/57/63/811655763.db2.gz AJMXTIJECZPEDV-AYOQOUSVSA-N 2 0 356.470 1.215 20 30 FDEDRP CC(C)[NH+]1CCN(CCC[NH+]2CCN(c3cnccc3C#N)CC2)CC1 ZINC000517067138 817202671 /nfs/dbraw/zinc/20/26/71/817202671.db2.gz CXBVTTKFVMNDLC-UHFFFAOYSA-N 2 0 356.518 1.491 20 30 FDEDRP COc1ccc(C#N)cc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000983705531 818627208 /nfs/dbraw/zinc/62/72/08/818627208.db2.gz XEQUIXKFUQWROJ-YCEFEEMOSA-N 2 0 370.497 1.891 20 30 FDEDRP C[NH+](C)[C@@H]1CCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000331164869 819668717 /nfs/dbraw/zinc/66/87/17/819668717.db2.gz HIJSVYKNJHDQGH-MRXNPFEDSA-N 2 0 367.538 1.163 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2OC)CC1 ZINC000524765963 828444383 /nfs/dbraw/zinc/44/43/83/828444383.db2.gz BWBBPPFSXOYLJJ-UHFFFAOYSA-N 2 0 374.485 1.462 20 30 FDEDRP C=CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000262004901 837387776 /nfs/dbraw/zinc/38/77/76/837387776.db2.gz DVPPMKFAJQMUCA-MRXNPFEDSA-N 2 0 369.473 1.033 20 30 FDEDRP O[C@@H]1CC[C@@H]2C[NH+](CC#CC[N@@H+]3CC[C@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700357 830424686 /nfs/dbraw/zinc/42/46/86/830424686.db2.gz NSGGCHZGCCPGOQ-DRGMGAIOSA-N 2 0 360.542 1.956 20 30 FDEDRP C[NH+]=C(NCc1cc(OC)c(O)c(OC)c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262768504 831337358 /nfs/dbraw/zinc/33/73/58/831337358.db2.gz GSWPGXXZMAJUTM-HNNXBMFYSA-N 2 0 360.458 1.431 20 30 FDEDRP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCCC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105668802 844092079 /nfs/dbraw/zinc/09/20/79/844092079.db2.gz NATFMXCFMMHVON-QCFAMHMHSA-N 2 0 363.546 1.708 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC[C@H]4CCCO4)C[C@H]32)CC1 ZINC001076604662 848554958 /nfs/dbraw/zinc/55/49/58/848554958.db2.gz PUSUIDUGAVXASB-XUVXKRRUSA-N 2 0 359.514 1.433 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)N(CC)C1CN(C(=O)C(=C)CC[NH+](C)C)C1 ZINC000907884331 854758055 /nfs/dbraw/zinc/75/80/55/854758055.db2.gz ZLKAMNACGLHNOG-UHFFFAOYSA-N 2 0 350.507 1.062 20 30 FDEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000908369375 855354885 /nfs/dbraw/zinc/35/48/85/855354885.db2.gz KWXWEWLTPCPDKS-SJORKVTESA-N 2 0 352.523 1.188 20 30 FDEDRP CCOCCC[NH+]=C(NC[C@H](C)C[NH+]1CCN(C)CC1)NC(C)(C)C ZINC000912499681 859826488 /nfs/dbraw/zinc/82/64/88/859826488.db2.gz YBPZTKQPVNTFKS-KRWDZBQOSA-N 2 0 355.571 1.630 20 30 FDEDRP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000669032122 860844890 /nfs/dbraw/zinc/84/48/90/860844890.db2.gz AXEBRRURQXELOS-TVFCKZIOSA-N 2 0 374.533 1.919 20 30 FDEDRP C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000669034099 860855812 /nfs/dbraw/zinc/85/58/12/860855812.db2.gz ICVPGKSYVMFBGH-MSOLQXFVSA-N 2 0 372.517 1.674 20 30 FDEDRP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001106138855 870788388 /nfs/dbraw/zinc/78/83/88/870788388.db2.gz GSURDAPJSCYXAM-WQVCFCJDSA-N 2 0 370.335 1.921 20 30 FDEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1)C(C)C ZINC000672729197 871542082 /nfs/dbraw/zinc/54/20/82/871542082.db2.gz JLOCKTUFRFNFTN-GOSISDBHSA-N 2 0 366.550 1.783 20 30 FDEDRP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC2(CCOCC2)C1 ZINC001089941581 912556983 /nfs/dbraw/zinc/55/69/83/912556983.db2.gz JEGTUZKDINOXNX-CEXWTWQISA-N 2 0 361.530 1.727 20 30 FDEDRP C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001106839624 880433791 /nfs/dbraw/zinc/43/37/91/880433791.db2.gz LNCSMELEHAJYKV-QZTJIDSGSA-N 2 0 364.534 1.213 20 30 FDEDRP C=CCC[C@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129084307 885707219 /nfs/dbraw/zinc/70/72/19/885707219.db2.gz HFFFRQLTOGOIPB-BBWFWOEESA-N 2 0 362.522 1.705 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)cc3C)C[C@H]2O)CC1 ZINC001078227065 898426861 /nfs/dbraw/zinc/42/68/61/898426861.db2.gz HMQCDZRKFOWSGM-NHCUHLMSSA-N 2 0 369.509 1.310 20 30 FDEDRP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cccc(C#N)c3)C2)CC[N@@H+]1C ZINC001078405095 898745876 /nfs/dbraw/zinc/74/58/76/898745876.db2.gz DXKZSIRSINXRGS-LSTHTHJFSA-N 2 0 370.497 1.606 20 30 FDEDRP C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001079494512 902709807 /nfs/dbraw/zinc/70/98/07/902709807.db2.gz GOFWAOTYGCPHFG-LZQZEXGQSA-N 2 0 356.470 1.620 20 30 FDEDRP C=CCC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n2)C1 ZINC001127832912 906475757 /nfs/dbraw/zinc/47/57/57/906475757.db2.gz SEIIWUZEKIPSPA-BHIYHBOVSA-N 2 0 371.529 1.782 20 30 FDEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1c1ccccc1 ZINC001081195531 907374773 /nfs/dbraw/zinc/37/47/73/907374773.db2.gz FTRSSWAHOSHNJL-VQTJNVASSA-N 2 0 365.481 1.276 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1ccccc1C#N ZINC001082515106 908182526 /nfs/dbraw/zinc/18/25/26/908182526.db2.gz AIHFBOKDHPZOAI-UIAACRFSSA-N 2 0 352.482 1.837 20 30 FDEDRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC001082559851 908613497 /nfs/dbraw/zinc/61/34/97/908613497.db2.gz QWAISDTUUOGUBE-YSGRDPCXSA-N 2 0 370.497 1.866 20 30 FDEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@@H]21 ZINC001084943172 918610261 /nfs/dbraw/zinc/61/02/61/918610261.db2.gz LEQOXAIDOGNYGF-LMCOJAPRSA-N 2 0 361.530 1.842 20 30 FDEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@@H]21 ZINC001084942212 918638492 /nfs/dbraw/zinc/63/84/92/918638492.db2.gz IICGSTOSOFPQEF-PBASOCQRSA-N 2 0 373.541 1.679 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000734275255 923155947 /nfs/dbraw/zinc/15/59/47/923155947.db2.gz KVARAEOEHUMXCS-GOSISDBHSA-N 2 0 350.507 1.579 20 30 FDEDRP CCOCCC[N@@H+]1CCC(=NNC(=S)NCCC[NH+](C)C)[C@H](C)C1 ZINC000735229387 924137386 /nfs/dbraw/zinc/13/73/86/924137386.db2.gz DJQWWCNHQUOONY-OAHLLOKOSA-N 2 0 357.568 1.527 20 30 FDEDRP C#CCCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000766233819 925080710 /nfs/dbraw/zinc/08/07/10/925080710.db2.gz PXCASRFDSQXHIW-INIZCTEOSA-N 2 0 351.516 1.981 20 30 FDEDRP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129327348 926243179 /nfs/dbraw/zinc/24/31/79/926243179.db2.gz UJLDILZOBLEAJM-FGTMMUONSA-N 2 0 360.506 1.009 20 30 FDEDRP CCCCCCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129983336 938598439 /nfs/dbraw/zinc/59/84/39/938598439.db2.gz XTSXMQUTSTUNBK-MSOLQXFVSA-N 2 0 364.538 1.932 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130704376 939985016 /nfs/dbraw/zinc/98/50/16/939985016.db2.gz MPGRDIDPCDYFEA-AZUAARDMSA-N 2 0 371.529 1.448 20 30 FDEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130736950 940038207 /nfs/dbraw/zinc/03/82/07/940038207.db2.gz QWYUHZSIDBIABN-AZUAARDMSA-N 2 0 371.529 1.594 20 30 FDEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1c1cncn1C ZINC001131012077 940443498 /nfs/dbraw/zinc/44/34/98/940443498.db2.gz ADRLSWXTPQAIEN-LMMKCTJWSA-N 2 0 361.534 1.857 20 30 FDEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1c1cncn1C ZINC001131012133 940443682 /nfs/dbraw/zinc/44/36/82/940443682.db2.gz CNGWZUOPEDPWMN-LMMKCTJWSA-N 2 0 361.534 1.857 20 30 FDEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1c1cncn1C ZINC001131132447 940512590 /nfs/dbraw/zinc/51/25/90/940512590.db2.gz LCFNXYHEOCZHJS-KURKYZTESA-N 2 0 357.502 1.202 20 30 FDEDRP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001131500133 940651238 /nfs/dbraw/zinc/65/12/38/940651238.db2.gz MAPIBCBHJWHDPE-NMLBUPMWSA-N 2 0 361.530 1.726 20 30 FDEDRP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001131510683 940659927 /nfs/dbraw/zinc/65/99/27/940659927.db2.gz XBJSQZATVKZBOP-OTWHNJEPSA-N 2 0 367.509 1.675 20 30 FDEDRP C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001131587819 940756463 /nfs/dbraw/zinc/75/64/63/940756463.db2.gz BORVPMFCVWUPKL-QUCCMNQESA-N 2 0 367.534 1.517 20 30 FDEDRP C#CC[N@@H+](C)CCCNC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000818589291 943296382 /nfs/dbraw/zinc/29/63/82/943296382.db2.gz VPYMTXDYUHOMAB-UHFFFAOYSA-N 2 0 356.514 1.902 20 30 FDEDRP C#CCC[NH+]1CCC(NC(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001136962092 946854090 /nfs/dbraw/zinc/85/40/90/946854090.db2.gz AKPHVHQDWZACGK-JOCHJYFZSA-N 2 0 369.509 1.617 20 30 FDEDRP NC(=O)c1ccc(C(=[NH2+])Nc2ccc(C(=O)N3CCC([NH3+])CC3)cc2)cc1 ZINC001171258641 951725309 /nfs/dbraw/zinc/72/53/09/951725309.db2.gz IECPNTOBROLQJA-UHFFFAOYSA-N 2 0 365.437 1.386 20 30 FDEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735091 952754085 /nfs/dbraw/zinc/75/40/85/952754085.db2.gz IXSYZPDEUUWWLC-QFUCXCTJSA-N 2 0 359.514 1.433 20 30 FDEDRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001087100317 953270774 /nfs/dbraw/zinc/27/07/74/953270774.db2.gz PJCZIRBXFPXTSI-XUVXKRRUSA-N 2 0 370.497 1.463 20 30 FDEDRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001087100800 953271568 /nfs/dbraw/zinc/27/15/68/953271568.db2.gz FJFCKPXQRYMZTQ-WOJBJXKFSA-N 2 0 370.497 1.607 20 30 FDEDRP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093193555 957751040 /nfs/dbraw/zinc/75/10/40/957751040.db2.gz JUMNWHGAEBBDSR-SZVBFZGTSA-N 2 0 370.497 1.703 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+][C@@H](C)c3ncccn3)[C@H](C)C2)CC1 ZINC001094239807 960157811 /nfs/dbraw/zinc/15/78/11/960157811.db2.gz DXUUCWSWGPVVDA-ZIFCJYIRSA-N 2 0 369.513 1.567 20 30 FDEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3cc(C)n(C)n3)[C@H](C)C2)CC1 ZINC001094240133 960159581 /nfs/dbraw/zinc/15/95/81/960159581.db2.gz QRHZFIPFNJNRID-VQIMIIECSA-N 2 0 371.529 1.258 20 30 FDEDRP C[C@H](CCCC#N)[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001172498746 961688603 /nfs/dbraw/zinc/68/86/03/961688603.db2.gz NPDLSKRGFNFWLT-QGZVFWFLSA-N 2 0 350.507 1.571 20 30 FDEDRP C=C(C[NH+]1CCCC1)C(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001183086011 962783496 /nfs/dbraw/zinc/78/34/96/962783496.db2.gz NSOIOTWXXKXXOD-UHFFFAOYSA-N 2 0 353.264 1.402 20 30 FDEDRP COc1ccc(CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cc1C#N ZINC000853881770 968395792 /nfs/dbraw/zinc/39/57/92/968395792.db2.gz HZBAACYGKDHEME-HNNXBMFYSA-N 2 0 361.490 1.638 20 30 FDEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CCCO1 ZINC001201453626 975067312 /nfs/dbraw/zinc/06/73/12/975067312.db2.gz CSKPOIRSPLBTJH-HBMCJLEFSA-N 2 0 369.509 1.562 20 30 FDEDRP C[NH+]1CCN(c2ccnc(-c3noc([C@@H](N)CCCCC#N)n3)c2)CC1 ZINC000848627840 976960852 /nfs/dbraw/zinc/96/08/52/976960852.db2.gz ZXVHCRHWGQLGQZ-HNNXBMFYSA-N 2 0 355.446 1.967 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000849081900 977307249 /nfs/dbraw/zinc/30/72/49/977307249.db2.gz PQNYPYYEWFGVPR-KFWWJZLASA-N 2 0 364.494 1.344 20 30 FDEDRP CC(C)[N@H+](C)CCCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000849087070 977308012 /nfs/dbraw/zinc/30/80/12/977308012.db2.gz UIJVDBVNPHVTBL-OAHLLOKOSA-N 2 0 353.511 1.597 20 30 FDEDRP CC[NH+]=C(NCC1CCN(C(C)=O)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000130680954 981868038 /nfs/dbraw/zinc/86/80/38/981868038.db2.gz ZAZAYTRUYBXLAZ-IBGZPJMESA-N 2 0 363.550 1.628 20 30 FDEDRP C[NH+](C)C1(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)Cc2ccccc2C1 ZINC000884224720 982998440 /nfs/dbraw/zinc/99/84/40/982998440.db2.gz XIYYDURCAWZUGA-FDYSRKEFSA-N 2 0 352.482 1.341 20 30 FDEDRP CN1CCC(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)([NH+]2CCCCC2)CC1 ZINC000884235662 983013342 /nfs/dbraw/zinc/01/33/42/983013342.db2.gz AZHKQWVKZYZLDI-QPIRBTGLSA-N 2 0 373.545 1.192 20 30 FDEDRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884287598 983058961 /nfs/dbraw/zinc/05/89/61/983058961.db2.gz GOMJPRSSIDLZJL-GNZRSQJKSA-N 2 0 358.461 1.855 20 30 FDEDRP C[NH+]1CCC(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)(c2ccccc2)CC1 ZINC000884467204 983172674 /nfs/dbraw/zinc/17/26/74/983172674.db2.gz QJHACHBLFBCJSN-OZWAEMERSA-N 2 0 366.509 1.906 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)CSc2ccc(C#N)cc2)C[C@H]1C[NH+](C)C ZINC000870022306 985529218 /nfs/dbraw/zinc/52/92/18/985529218.db2.gz RKIZYEILJLHQMF-IAGOWNOFSA-N 2 0 360.527 1.848 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)CC1 ZINC000369403567 989050264 /nfs/dbraw/zinc/05/02/64/989050264.db2.gz VTDVQRXCUGMMSJ-BHIYHBOVSA-N 2 0 364.534 1.825 20 30 FDEDRP C[NH+]1CCN(C[C@H]2CCC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000363455793 989214826 /nfs/dbraw/zinc/21/48/26/989214826.db2.gz GRESSRZOFOGLLY-UXHICEINSA-N 2 0 372.513 1.257 20 30 FDEDRP C#CC[N@H+](C)CCCNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000296494734 989241800 /nfs/dbraw/zinc/24/18/00/989241800.db2.gz CSKDSMXQBNNWCO-UHFFFAOYSA-N 2 0 372.513 1.914 20 30 FDEDRP C[C@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000363667894 989383162 /nfs/dbraw/zinc/38/31/62/989383162.db2.gz AASIOEPKLSELPQ-PXNSSMCTSA-N 2 0 372.513 1.398 20 30 FDEDRP C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccc(CC#N)cc2)C[C@H]1C[NH+](C)C ZINC000875685988 991908666 /nfs/dbraw/zinc/90/86/66/991908666.db2.gz MODATBOVRZAUCK-RTBURBONSA-N 2 0 357.502 1.633 20 30 FDEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000876954009 992981138 /nfs/dbraw/zinc/98/11/38/992981138.db2.gz AUEQVTHSWCPEFH-AZUAARDMSA-N 2 0 368.481 1.458 20 30 FDEDRP C[C@@H]1C[NH+](Cc2cc(C#N)cc(C[N@@H+]3CC[C@H](O)[C@H](C)C3)c2)CC[C@@H]1O ZINC000878464231 993971437 /nfs/dbraw/zinc/97/14/37/993971437.db2.gz SABCKDBFRYJWQL-RFZJPIJTSA-N 2 0 357.498 1.964 20 30 FDEDRP CC1(C)C[NH+](Cc2cc(C#N)cc(C[N@@H+]3C[C@H](O)C(C)(C)C3)c2)C[C@@H]1O ZINC000878531331 994001413 /nfs/dbraw/zinc/00/14/13/994001413.db2.gz CRFZHMXZXXHEEZ-OALUTQOASA-N 2 0 357.498 1.964 20 30 FDEDRP CC1(C)C[NH+](Cc2cc(C#N)cc(C[N@@H+]3C[C@@H](O)C(C)(C)C3)c2)C[C@@H]1O ZINC000878531330 994001944 /nfs/dbraw/zinc/00/19/44/994001944.db2.gz CRFZHMXZXXHEEZ-KDURUIRLSA-N 2 0 357.498 1.964 20 30 FDEDRP C[NH+]1CCN(C2CC[NH+](C[C@@H](O)COc3ccccc3C#N)CC2)CC1 ZINC000879594207 995064496 /nfs/dbraw/zinc/06/44/96/995064496.db2.gz BFQCTBBSOWFNGI-LJQANCHMSA-N 2 0 358.486 1.010 20 30 FDEDRP C[C@@H]1[C@H](NC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC000925324823 995494837 /nfs/dbraw/zinc/49/48/37/995494837.db2.gz ZJTSOFRHWZZJPO-VQIMIIECSA-N 2 0 355.486 1.868 20 30 FDEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000264076370 997396434 /nfs/dbraw/zinc/39/64/34/997396434.db2.gz FUSGPESKVXFFPW-HDICACEKSA-N 2 0 373.549 1.671 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H](C)CN1CC[NH+](C)CC1)C(C)C ZINC000264397837 997494928 /nfs/dbraw/zinc/49/49/28/997494928.db2.gz LOABVXDNCKRABQ-MOPGFXCFSA-N 2 0 365.566 1.620 20 30 FDEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC000284210924 999780339 /nfs/dbraw/zinc/78/03/39/999780339.db2.gz WSHRFVPNVVVTCU-ROUUACIJSA-N 2 0 364.534 1.211 20 30 FDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCN1C(=O)c2ccccc2C1=O ZINC000284956810 999887589 /nfs/dbraw/zinc/88/75/89/999887589.db2.gz FDHDGBDLWZRDKB-AWEZNQCLSA-N 2 0 357.458 1.061 20 30 FDEDRP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000305044475 1008606321 /nfs/dbraw/zinc/60/63/21/1008606321.db2.gz XCXFFGUHLITEQJ-MRXNPFEDSA-N 2 0 367.538 1.832 20 30 FDEDRP CCOCCCNC(=[NH2+])NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000303887387 1009674716 /nfs/dbraw/zinc/67/47/16/1009674716.db2.gz KVEPXQJKMLBIKA-UHFFFAOYSA-N 2 0 361.534 1.838 20 30 FDEDRP CCC[NH+]1CCC(CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000303901090 1009684449 /nfs/dbraw/zinc/68/44/49/1009684449.db2.gz XDFWXERHBLHOIZ-UHFFFAOYSA-N 2 0 367.538 1.976 20 30 FDEDRP Cc1ccc([C@H](CNC(=[NH2+])NCCCN2CCOCC2)[NH+]2CCCC2)cc1 ZINC000303906408 1009688091 /nfs/dbraw/zinc/68/80/91/1009688091.db2.gz ZYIBGFKRDNDTPH-FQEVSTJZSA-N 2 0 373.545 1.759 20 30 FDEDRP CC[NH+]1CCC(CCNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000304758332 1010478343 /nfs/dbraw/zinc/47/83/43/1010478343.db2.gz PVRKFSAZSSWTSF-UHFFFAOYSA-N 2 0 367.538 1.976 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000557733218 544337967 /nfs/dbraw/zinc/33/79/67/544337967.db2.gz QSUAMDZRWNLILW-AYHJJNSGSA-N 2 0 362.518 1.275 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000557730804 544337305 /nfs/dbraw/zinc/33/73/05/544337305.db2.gz DVWJOVVHODJPOV-MOPGFXCFSA-N 2 0 370.497 1.315 20 30 FDEDRP C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000374258251 261101260 /nfs/dbraw/zinc/10/12/60/261101260.db2.gz JKDIINNZEPDPHS-QGZVFWFLSA-N 2 0 369.513 1.987 20 30 FDEDRP C[NH+](C)CCOc1cc(C[NH2+]Cc2cnc3ccc(C#N)cn23)ccn1 ZINC000136233960 524190333 /nfs/dbraw/zinc/19/03/33/524190333.db2.gz VKXNQAMCDARZSZ-UHFFFAOYSA-N 2 0 350.426 1.831 20 30 FDEDRP C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158532413 524485260 /nfs/dbraw/zinc/48/52/60/524485260.db2.gz NOSFGZRLWVNVOW-MAUKXSAKSA-N 2 0 369.517 1.969 20 30 FDEDRP C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158532560 524486020 /nfs/dbraw/zinc/48/60/20/524486020.db2.gz NOSFGZRLWVNVOW-YJBOKZPZSA-N 2 0 369.517 1.969 20 30 FDEDRP CC[NH+]1CCN([C@H]2CC[N@H+](CCC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000155662334 525937612 /nfs/dbraw/zinc/93/76/12/525937612.db2.gz CAPJZHGQAXGENM-IBGZPJMESA-N 2 0 355.486 1.599 20 30 FDEDRP COc1ccccc1CNC(=[NH2+])NCc1ccnc(OCC[NH+](C)C)c1 ZINC000134551263 526164371 /nfs/dbraw/zinc/16/43/71/526164371.db2.gz IYIVCVZHRNDJCA-UHFFFAOYSA-N 2 0 357.458 1.635 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)CC1 ZINC000185685952 536215255 /nfs/dbraw/zinc/21/52/55/536215255.db2.gz RBDNYNSAYLMLRO-KRWDZBQOSA-N 2 0 351.539 1.352 20 30 FDEDRP CC[NH+]=C(NCc1cccc(-n2cncn2)c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262829254 536912784 /nfs/dbraw/zinc/91/27/84/536912784.db2.gz ZHPPEYSWKUPHOB-IBGZPJMESA-N 2 0 365.485 1.679 20 30 FDEDRP C[NH+]=C(NC[C@@H]1CCCCO1)NCC1(N2CCOCC2)CCCCC1 ZINC000263255652 537002245 /nfs/dbraw/zinc/00/22/45/537002245.db2.gz QNQQYCANFQWSBX-KRWDZBQOSA-N 2 0 352.523 1.756 20 30 FDEDRP C[NH+]=C(NC[C@@H](C)N1CCc2sccc2C1)N1CCN(C(C)=O)CC1 ZINC000263253830 537002438 /nfs/dbraw/zinc/00/24/38/537002438.db2.gz PVBAFKPPDYVCHQ-CQSZACIVSA-N 2 0 363.531 1.234 20 30 FDEDRP C[C@@H]1CN(Cc2ccccc2CNC(=O)[C@@H]([NH3+])CCCC#N)C[C@H](C)O1 ZINC000424127380 538243017 /nfs/dbraw/zinc/24/30/17/538243017.db2.gz CTSYARPLVZOQOT-FCEWJHQRSA-N 2 0 358.486 1.933 20 30 FDEDRP C(#CC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21)C[NH+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459745567 538694588 /nfs/dbraw/zinc/69/45/88/538694588.db2.gz BXBLYDXSYNBQPO-YRPNKDGESA-N 2 0 356.510 1.992 20 30 FDEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000561451043 545856770 /nfs/dbraw/zinc/85/67/70/545856770.db2.gz ZYZZKWVROKOQSJ-NVXWUHKLSA-N 2 0 350.507 1.084 20 30 FDEDRP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@@H]3CNc4c(C#N)cnn4C3)CC2)C[C@H](C)O1 ZINC000568090194 548394170 /nfs/dbraw/zinc/39/41/70/548394170.db2.gz WYLRBRMFOYENGN-JZXOWHBKSA-N 2 0 372.517 1.618 20 30 FDEDRP N#Cc1cnn2cc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)cnc12 ZINC000571165699 549549087 /nfs/dbraw/zinc/54/90/87/549549087.db2.gz IRUDWDQILZPNIS-UHFFFAOYSA-N 2 0 354.458 1.535 20 30 FDEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000577227538 550634634 /nfs/dbraw/zinc/63/46/34/550634634.db2.gz KMCWQUBHNQTSDS-GOSISDBHSA-N 2 0 364.534 1.380 20 30 FDEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC3=CC[NH2+]CC3)CC2)c1 ZINC000593714157 552180666 /nfs/dbraw/zinc/18/06/66/552180666.db2.gz OQHKTKYTXBQLSJ-UHFFFAOYSA-N 2 0 353.470 1.742 20 30 FDEDRP C[C@H]1[NH2+]CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H]1C ZINC000593722790 552182927 /nfs/dbraw/zinc/18/29/27/552182927.db2.gz YXUFFWILCIYYCG-CVEARBPZSA-N 2 0 355.486 1.914 20 30 FDEDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cn2)CC1 ZINC000594437492 552309695 /nfs/dbraw/zinc/30/96/95/552309695.db2.gz CLJUFLJHFXPLCJ-KRWDZBQOSA-N 2 0 358.490 1.251 20 30 FDEDRP CN1CC[N@H+](CCCNC(=O)[C@H]([NH3+])CCCCC#N)[C@H](c2ccccc2)C1 ZINC000594439716 552310813 /nfs/dbraw/zinc/31/08/13/552310813.db2.gz UNCOPWORDADFLJ-UXHICEINSA-N 2 0 371.529 1.893 20 30 FDEDRP N#Cc1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)nc1N[C@H]1CC[NH+](C2CC2)C1 ZINC000596091100 552654279 /nfs/dbraw/zinc/65/42/79/552654279.db2.gz HVZQMYXOMJGMSW-HOTGVXAUSA-N 2 0 352.486 2.250 20 30 FDEDRP C[NH+](C)CCOc1cccc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c1 ZINC000600722661 553307093 /nfs/dbraw/zinc/30/70/93/553307093.db2.gz KCXIIEIERQWEMI-SFHVURJKSA-N 2 0 361.486 1.788 20 30 FDEDRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600727501 553307968 /nfs/dbraw/zinc/30/79/68/553307968.db2.gz JMZORFDWGGRROJ-MRXNPFEDSA-N 2 0 350.507 1.257 20 30 FDEDRP N#Cc1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000609345343 554370193 /nfs/dbraw/zinc/37/01/93/554370193.db2.gz QDUXQPMRDOALFE-UHFFFAOYSA-N 2 0 350.426 1.290 20 30 FDEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000611386260 554630659 /nfs/dbraw/zinc/63/06/59/554630659.db2.gz HJCPCYZHUDMISM-VQIMIIECSA-N 2 0 358.486 1.682 20 30 FDEDRP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000088481413 671489136 /nfs/dbraw/zinc/48/91/36/671489136.db2.gz CWBXMRVFIJTSOP-KRWDZBQOSA-N 3 0 351.539 1.233 20 30 FDEDRP C[NH+](C)CC(C)(C)CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089119983 671491719 /nfs/dbraw/zinc/49/17/19/671491719.db2.gz GMQVKEKFMXXPPY-CQSZACIVSA-N 2 0 353.511 1.455 20 30 FDEDRP CCCC[N@H+](C)CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089120867 671491926 /nfs/dbraw/zinc/49/19/26/671491926.db2.gz GNDWKVJEMMJRGQ-OAHLLOKOSA-N 2 0 353.511 1.599 20 30 FDEDRP C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262793940 672850427 /nfs/dbraw/zinc/85/04/27/672850427.db2.gz OVCSBZGABALWAL-FUHWJXTLSA-N 2 0 353.580 1.417 20 30 FDEDRP C[NH+]=C(NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)N[C@H]1CCN(C2CC2)C1 ZINC000262811288 672851218 /nfs/dbraw/zinc/85/12/18/672851218.db2.gz RCHKVHBBTRNORD-XHSDSOJGSA-N 3 0 351.539 1.276 20 30 FDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNc1nccc(C(F)(F)F)n1 ZINC000267442231 673304514 /nfs/dbraw/zinc/30/45/14/673304514.db2.gz PFWRKBDNSQUHCH-LLVKDONJSA-N 2 0 359.400 1.296 20 30 FDEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000329223901 676626450 /nfs/dbraw/zinc/62/64/50/676626450.db2.gz YTMHDQSKONNJEC-DJSILETISA-N 2 0 350.507 1.899 20 30 FDEDRP N#Cc1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1C(F)(F)F ZINC000420459386 680462884 /nfs/dbraw/zinc/46/28/84/680462884.db2.gz QXUXSMBAGMALGN-UHFFFAOYSA-N 2 0 364.393 1.265 20 30 FDEDRP