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)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000054994275 1078021244 /nfs/dbraw/zinc/02/12/44/1078021244.db2.gz VOZNYQBCBKPOJS-RBUKOAKNSA-N 2 0 410.559 0.030 20 0 HCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000054994276 1078021565 /nfs/dbraw/zinc/02/15/65/1078021565.db2.gz VOZNYQBCBKPOJS-OALUTQOASA-N 2 0 410.559 0.030 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000060348584 1079897776 /nfs/dbraw/zinc/89/77/76/1079897776.db2.gz ZNLGWWDCBIGDAG-OAHLLOKOSA-N 2 0 418.585 0.371 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000060348585 1079897926 /nfs/dbraw/zinc/89/79/26/1079897926.db2.gz ZNLGWWDCBIGDAG-HNNXBMFYSA-N 2 0 418.585 0.371 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000060348594 1079897867 /nfs/dbraw/zinc/89/78/67/1079897867.db2.gz WFCRPAZFFUOWKD-CQSZACIVSA-N 2 0 423.539 0.253 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000060348595 1079897980 /nfs/dbraw/zinc/89/79/80/1079897980.db2.gz WFCRPAZFFUOWKD-AWEZNQCLSA-N 2 0 423.539 0.253 20 0 HCADRP CCOC(=O)c1c[nH]nc1S(=O)(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000060348596 1079897942 /nfs/dbraw/zinc/89/79/42/1079897942.db2.gz FEAFNVJSMAXWHS-CQSZACIVSA-N 2 0 401.533 0.623 20 0 HCADRP CCOC(=O)c1c[nH]nc1S(=O)(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000060348597 1079897755 /nfs/dbraw/zinc/89/77/55/1079897755.db2.gz FEAFNVJSMAXWHS-AWEZNQCLSA-N 2 0 401.533 0.623 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000060348600 1079897844 /nfs/dbraw/zinc/89/78/44/1079897844.db2.gz DFOIFUWBYGHQFV-CQSZACIVSA-N 2 0 423.539 0.253 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000060348601 1079897904 /nfs/dbraw/zinc/89/79/04/1079897904.db2.gz DFOIFUWBYGHQFV-AWEZNQCLSA-N 2 0 423.539 0.253 20 0 HCADRP C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCC[NH+]3CCCCC3)ccc2oc1=O ZINC000060606175 1079900188 /nfs/dbraw/zinc/90/01/88/1079900188.db2.gz HOEHYDVHYJXUPR-UHFFFAOYSA-N 2 0 403.483 0.697 20 0 HCADRP C[NH+](C)CCn1c2cc(NC(=O)C(=O)NC3CC[NH+](C4CC4)CC3)ccc2oc1=O ZINC000060606706 1079900893 /nfs/dbraw/zinc/90/08/93/1079900893.db2.gz SROSXZNGCQKGHH-UHFFFAOYSA-N 2 0 415.494 0.838 20 0 HCADRP C[C@H](CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[NH+]1CCCC1 ZINC000060607810 1079900826 /nfs/dbraw/zinc/90/08/26/1079900826.db2.gz URKVPWWIOORQKN-CQSZACIVSA-N 2 0 403.483 0.695 20 0 HCADRP CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000060608110 1079901134 /nfs/dbraw/zinc/90/11/34/1079901134.db2.gz FFYYNADZZCKLEL-UHFFFAOYSA-N 2 0 405.499 0.941 20 0 HCADRP C[C@@H](CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)C[NH+]1CCCC1 ZINC000060636021 1079902618 /nfs/dbraw/zinc/90/26/18/1079902618.db2.gz VOZHILHUJHKTFC-HNNXBMFYSA-N 2 0 417.510 0.943 20 0 HCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000060650704 1079903005 /nfs/dbraw/zinc/90/30/05/1079903005.db2.gz YQBFXAYZCHPKHH-HNNXBMFYSA-N 2 0 417.510 0.941 20 0 HCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000062586651 1079923001 /nfs/dbraw/zinc/92/30/01/1079923001.db2.gz DUFWEFSDOHULQI-OAHLLOKOSA-N 2 0 403.527 0.779 20 0 HCADRP C[NH+](C)CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000062644394 1079924281 /nfs/dbraw/zinc/92/42/81/1079924281.db2.gz BWQRQUYTERMLQG-UHFFFAOYSA-N 2 0 403.527 0.603 20 0 HCADRP C[NH+]1CCC(NC(=S)NCCCCNC(=S)NC2CC[NH+](C)CC2)CC1 ZINC000063131095 1074289017 /nfs/dbraw/zinc/28/90/17/1074289017.db2.gz SENJTYLGAAOMTI-UHFFFAOYSA-N 2 0 400.662 0.883 20 0 HCADRP C[NH+]1CCC(NC(=S)NNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000063142850 1074290946 /nfs/dbraw/zinc/29/09/46/1074290946.db2.gz OJGPAQNYAHURNY-UHFFFAOYSA-N 2 0 404.584 0.788 20 0 HCADRP CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000064269611 1079956702 /nfs/dbraw/zinc/95/67/02/1079956702.db2.gz NLAOXLQIIMTLJB-UHFFFAOYSA-N 2 0 419.595 0.928 20 0 HCADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CC(=O)N3CCN(C(=O)C4CC4)CC3)CC2)C[C@H](C)O1 ZINC000110427288 1080416827 /nfs/dbraw/zinc/41/68/27/1080416827.db2.gz KNLCEEGMGTYTMF-HDICACEKSA-N 2 0 406.571 0.888 20 0 HCADRP C[C@H]1C[NH+](CC2CC[NH+](CC(=O)N3CCN(C(=O)C4CC4)CC3)CC2)C[C@H](C)O1 ZINC000110427290 1080417373 /nfs/dbraw/zinc/41/73/73/1080417373.db2.gz KNLCEEGMGTYTMF-ROUUACIJSA-N 2 0 406.571 0.888 20 0 HCADRP C[C@@H]1C[NH+](CC2CC[NH+](CC(=O)N3CCN(C(=O)C4CC4)CC3)CC2)C[C@@H](C)O1 ZINC000110427293 1080417495 /nfs/dbraw/zinc/41/74/95/1080417495.db2.gz KNLCEEGMGTYTMF-QZTJIDSGSA-N 2 0 406.571 0.888 20 0 HCADRP Cn1cc(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c(=O)n(C)c1=O ZINC000237203829 1079239944 /nfs/dbraw/zinc/23/99/44/1079239944.db2.gz XPEKMQRHTNJWIU-UHFFFAOYSA-N 2 0 416.522 0.863 20 0 HCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)cc2)CC1 ZINC000303579485 1077252065 /nfs/dbraw/zinc/25/20/65/1077252065.db2.gz QQCKVUMDONELAC-NRFANRHFSA-N 2 0 415.582 0.850 20 0 HCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)cc2)CC1 ZINC000303579487 1077252270 /nfs/dbraw/zinc/25/22/70/1077252270.db2.gz QQCKVUMDONELAC-OAQYLSRUSA-N 2 0 415.582 0.850 20 0 HCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000428800976 1075545547 /nfs/dbraw/zinc/54/55/47/1075545547.db2.gz DXQZVANTXUMLFK-PMACEKPBSA-N 2 0 417.554 0.917 20 0 HCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000428800978 1075545358 /nfs/dbraw/zinc/54/53/58/1075545358.db2.gz DXQZVANTXUMLFK-UXHICEINSA-N 2 0 417.554 0.917 20 0 HCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000428800980 1075545618 /nfs/dbraw/zinc/54/56/18/1075545618.db2.gz DXQZVANTXUMLFK-VQTJNVASSA-N 2 0 417.554 0.917 20 0 HCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000428800982 1075545459 /nfs/dbraw/zinc/54/54/59/1075545459.db2.gz DXQZVANTXUMLFK-WOJBJXKFSA-N 2 0 417.554 0.917 20 0 HCADRP C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000428837732 1080349286 /nfs/dbraw/zinc/34/92/86/1080349286.db2.gz HTWUYDWZLKTSBI-AOIWGVFYSA-N 2 0 400.527 0.902 20 0 HCADRP C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000428837735 1080349268 /nfs/dbraw/zinc/34/92/68/1080349268.db2.gz HTWUYDWZLKTSBI-LMMKCTJWSA-N 2 0 400.527 0.902 20 0 HCADRP C[C@@H]1C[C@H]1N1C[C@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000428837737 1080349012 /nfs/dbraw/zinc/34/90/12/1080349012.db2.gz HTWUYDWZLKTSBI-ZHALLVOQSA-N 2 0 400.527 0.902 20 0 HCADRP C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000428837739 1080349139 /nfs/dbraw/zinc/34/91/39/1080349139.db2.gz HTWUYDWZLKTSBI-ZIFCJYIRSA-N 2 0 400.527 0.902 20 0 HCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000428974915 1081357728 /nfs/dbraw/zinc/35/77/28/1081357728.db2.gz GJVMXDWHEWHTRU-DENIHFKCSA-N 2 0 402.539 0.492 20 0 HCADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000428974916 1081357805 /nfs/dbraw/zinc/35/78/05/1081357805.db2.gz GJVMXDWHEWHTRU-KNQAVFIVSA-N 2 0 402.539 0.492 20 0 HCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000428974917 1081357897 /nfs/dbraw/zinc/35/78/97/1081357897.db2.gz GJVMXDWHEWHTRU-SIKLNZKXSA-N 2 0 402.539 0.492 20 0 HCADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000428974918 1081357747 /nfs/dbraw/zinc/35/77/47/1081357747.db2.gz GJVMXDWHEWHTRU-UGKGYDQZSA-N 2 0 402.539 0.492 20 0 HCADRP CC[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCOCC1 ZINC000428977557 1081359148 /nfs/dbraw/zinc/35/91/48/1081359148.db2.gz JIHWKYLLWDIRIU-IBGZPJMESA-N 2 0 418.542 0.530 20 0 HCADRP CC[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCOCC1 ZINC000428977558 1081359028 /nfs/dbraw/zinc/35/90/28/1081359028.db2.gz JIHWKYLLWDIRIU-LJQANCHMSA-N 2 0 418.542 0.530 20 0 HCADRP CN(C)c1ncc(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1C ZINC000428978569 1081359167 /nfs/dbraw/zinc/35/91/67/1081359167.db2.gz PMSWSFWIIWHRQZ-UHFFFAOYSA-N 2 0 400.531 0.893 20 0 HCADRP C[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC1 ZINC000429792517 1074681540 /nfs/dbraw/zinc/68/15/40/1074681540.db2.gz COTICFYZZSEMPD-UHFFFAOYSA-N 2 0 401.511 0.487 20 0 HCADRP CNS(=O)(=O)c1ccccc1S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000443196763 1077336851 /nfs/dbraw/zinc/33/68/51/1077336851.db2.gz JMRHMNRXFXZTMW-UHFFFAOYSA-N 2 0 418.585 0.241 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnn(CC(=O)OC)c1 ZINC000462268731 1075317791 /nfs/dbraw/zinc/31/77/91/1075317791.db2.gz LOKHEQFZDQEQGC-HNNXBMFYSA-N 2 0 401.533 0.093 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnn(CC(=O)OC)c1 ZINC000462268732 1075317765 /nfs/dbraw/zinc/31/77/65/1075317765.db2.gz LOKHEQFZDQEQGC-OAHLLOKOSA-N 2 0 401.533 0.093 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000462270896 1075318658 /nfs/dbraw/zinc/31/86/58/1075318658.db2.gz RRYHXJNQPPSKLR-KRWDZBQOSA-N 2 0 421.571 0.914 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000462270897 1075318744 /nfs/dbraw/zinc/31/87/44/1075318744.db2.gz RRYHXJNQPPSKLR-QGZVFWFLSA-N 2 0 421.571 0.914 20 0 HCADRP Cn1nnnc1-c1cccc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000462472867 1075412343 /nfs/dbraw/zinc/41/23/43/1075412343.db2.gz YWBHYMRPUYCPET-UHFFFAOYSA-N 2 0 409.560 0.771 20 0 HCADRP CC[NH+]1CCN(CCC(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)CC1 ZINC000462748076 1075510394 /nfs/dbraw/zinc/51/03/94/1075510394.db2.gz GIPABORAVAPRIB-UHFFFAOYSA-N 2 0 411.572 0.493 20 0 HCADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)Nc2cnn(C[C@@H](O)C[NH+]3CCCC3)c2)c1 ZINC000462865421 1075542239 /nfs/dbraw/zinc/54/22/39/1075542239.db2.gz ZLRLXHUQSRBGHG-IBGZPJMESA-N 2 0 414.510 0.979 20 0 HCADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)Nc2cnn(C[C@H](O)C[NH+]3CCCC3)c2)c1 ZINC000462865422 1075542291 /nfs/dbraw/zinc/54/22/91/1075542291.db2.gz ZLRLXHUQSRBGHG-LJQANCHMSA-N 2 0 414.510 0.979 20 0 HCADRP O=C(CNC(=O)Cc1ccc(O)cc1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000462922639 1075555851 /nfs/dbraw/zinc/55/58/51/1075555851.db2.gz AVPUMWIEGDWRKF-UHFFFAOYSA-N 2 0 411.506 0.774 20 0 HCADRP Cn1cc([C@H]2CN(CC[N@@H+]3CCCOCC3)CCN2CC[NH+]2CCCOCC2)cn1 ZINC000463122593 1075607701 /nfs/dbraw/zinc/60/77/01/1075607701.db2.gz JUVSJWVDXKIOAV-JOCHJYFZSA-N 2 0 420.602 0.523 20 0 HCADRP Cn1cc([C@@H]2CN(CC[N@@H+]3CCCOCC3)CCN2CC[NH+]2CCCOCC2)cn1 ZINC000463122594 1075607680 /nfs/dbraw/zinc/60/76/80/1075607680.db2.gz JUVSJWVDXKIOAV-QFIPXVFZSA-N 2 0 420.602 0.523 20 0 HCADRP CC(C)[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C(C)C)[C@H]2CCOC2)CC1)[C@@H]1CCOC1 ZINC000463228058 1075661210 /nfs/dbraw/zinc/66/12/10/1075661210.db2.gz DSCZWVIYTXMNBS-BGYRXZFFSA-N 2 0 424.586 0.656 20 0 HCADRP CC(C)[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C(C)C)[C@H]2CCOC2)CC1)[C@H]1CCOC1 ZINC000463228059 1075661174 /nfs/dbraw/zinc/66/11/74/1075661174.db2.gz DSCZWVIYTXMNBS-PMACEKPBSA-N 2 0 424.586 0.656 20 0 HCADRP CC(C)[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C(C)C)[C@@H]2CCOC2)CC1)[C@@H]1CCOC1 ZINC000463228060 1075661239 /nfs/dbraw/zinc/66/12/39/1075661239.db2.gz DSCZWVIYTXMNBS-WOJBJXKFSA-N 2 0 424.586 0.656 20 0 HCADRP CCN1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000463629701 1075781360 /nfs/dbraw/zinc/78/13/60/1075781360.db2.gz OHJRSBYALMJDIY-KRWDZBQOSA-N 2 0 424.567 0.434 20 0 HCADRP CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000463629702 1075781294 /nfs/dbraw/zinc/78/12/94/1075781294.db2.gz OHJRSBYALMJDIY-QGZVFWFLSA-N 2 0 424.567 0.434 20 0 HCADRP Cn1cc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(C2CC2)n1 ZINC000463667535 1075790603 /nfs/dbraw/zinc/79/06/03/1075790603.db2.gz SXBACMXSTCZCRG-UHFFFAOYSA-N 2 0 411.510 0.960 20 0 HCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)n1 ZINC000464124185 1075869018 /nfs/dbraw/zinc/86/90/18/1075869018.db2.gz UGZHSJYZWAZZQL-KRWDZBQOSA-N 2 0 400.483 0.589 20 0 HCADRP C[C@@H](CNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCN(C)CC1 ZINC000465429831 1077628291 /nfs/dbraw/zinc/62/82/91/1077628291.db2.gz GTIXCDVBXSFVOQ-NRFANRHFSA-N 2 0 416.614 0.987 20 0 HCADRP C[C@H](CNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCN(C)CC1 ZINC000465429832 1077628206 /nfs/dbraw/zinc/62/82/06/1077628206.db2.gz GTIXCDVBXSFVOQ-OAQYLSRUSA-N 2 0 416.614 0.987 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000465508380 1077926065 /nfs/dbraw/zinc/92/60/65/1077926065.db2.gz LPXZTUNBYUXGMC-KRWDZBQOSA-N 2 0 403.593 0.468 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000465508381 1077925935 /nfs/dbraw/zinc/92/59/35/1077925935.db2.gz LPXZTUNBYUXGMC-QGZVFWFLSA-N 2 0 403.593 0.468 20 0 HCADRP C[C@H](CNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)C[NH+]1CCN(C)CC1 ZINC000465518002 1078055040 /nfs/dbraw/zinc/05/50/40/1078055040.db2.gz NOCMQZCYINKKST-GOSISDBHSA-N 2 0 403.575 0.516 20 0 HCADRP C[C@@H](CNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)C[NH+]1CCN(C)CC1 ZINC000465518004 1078055093 /nfs/dbraw/zinc/05/50/93/1078055093.db2.gz NOCMQZCYINKKST-SFHVURJKSA-N 2 0 403.575 0.516 20 0 HCADRP CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)cn2)CC1 ZINC000465527626 1078101003 /nfs/dbraw/zinc/10/10/03/1078101003.db2.gz QSBBVZZXBDPEQA-IBGZPJMESA-N 2 0 417.602 0.906 20 0 HCADRP CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)cn2)CC1 ZINC000465527627 1078101197 /nfs/dbraw/zinc/10/11/97/1078101197.db2.gz QSBBVZZXBDPEQA-LJQANCHMSA-N 2 0 417.602 0.906 20 0 HCADRP C[C@H](CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)C[NH+]1CCN(C)CC1 ZINC000465565389 1079026743 /nfs/dbraw/zinc/02/67/43/1079026743.db2.gz JZFIVDDXQUKZND-GOSISDBHSA-N 2 0 403.575 0.516 20 0 HCADRP C[C@@H](CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)C[NH+]1CCN(C)CC1 ZINC000465565391 1079026594 /nfs/dbraw/zinc/02/65/94/1079026594.db2.gz JZFIVDDXQUKZND-SFHVURJKSA-N 2 0 403.575 0.516 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000465646135 1080241862 /nfs/dbraw/zinc/24/18/62/1080241862.db2.gz NIIULZIBRVDFAW-GOSISDBHSA-N 2 0 421.590 0.829 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000465646136 1080241677 /nfs/dbraw/zinc/24/16/77/1080241677.db2.gz NIIULZIBRVDFAW-SFHVURJKSA-N 2 0 421.590 0.829 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000465659532 1080252648 /nfs/dbraw/zinc/25/26/48/1080252648.db2.gz NKVYWGLNAFDMMC-KRWDZBQOSA-N 2 0 411.572 0.892 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000465659533 1080252447 /nfs/dbraw/zinc/25/24/47/1080252447.db2.gz NKVYWGLNAFDMMC-QGZVFWFLSA-N 2 0 411.572 0.892 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000465735137 1080288384 /nfs/dbraw/zinc/28/83/84/1080288384.db2.gz DOMNLIQAEWPQSK-DLBZAZTESA-N 2 0 403.593 0.468 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000465735138 1080288542 /nfs/dbraw/zinc/28/85/42/1080288542.db2.gz DOMNLIQAEWPQSK-IAGOWNOFSA-N 2 0 403.593 0.468 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000465735139 1080288306 /nfs/dbraw/zinc/28/83/06/1080288306.db2.gz DOMNLIQAEWPQSK-IRXDYDNUSA-N 2 0 403.593 0.468 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000465735140 1080288404 /nfs/dbraw/zinc/28/84/04/1080288404.db2.gz DOMNLIQAEWPQSK-SJORKVTESA-N 2 0 403.593 0.468 20 0 HCADRP C[C@@H](CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C[NH+]1CCN(C)CC1 ZINC000465808986 1080349198 /nfs/dbraw/zinc/34/91/98/1080349198.db2.gz JXUKZDQJHIEBBD-FQEVSTJZSA-N 3 0 417.602 0.776 20 0 HCADRP C[C@H](CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C[NH+]1CCN(C)CC1 ZINC000465808993 1080349075 /nfs/dbraw/zinc/34/90/75/1080349075.db2.gz JXUKZDQJHIEBBD-HXUWFJFHSA-N 3 0 417.602 0.776 20 0 HCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000465811134 1080349872 /nfs/dbraw/zinc/34/98/72/1080349872.db2.gz LUDNQSIOXPGSRJ-NRFANRHFSA-N 2 0 400.527 0.905 20 0 HCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000465811135 1080349978 /nfs/dbraw/zinc/34/99/78/1080349978.db2.gz LUDNQSIOXPGSRJ-OAQYLSRUSA-N 2 0 400.527 0.905 20 0 HCADRP Cn1nc2c(cc1=O)CN(C(=O)NCCC[NH+]1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000465818558 1080352838 /nfs/dbraw/zinc/35/28/38/1080352838.db2.gz UOUJFPTWRKMQRF-UHFFFAOYSA-N 2 0 411.510 0.455 20 0 HCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCC2(CNC(=O)C2)CC1 ZINC000465822638 1073875543 /nfs/dbraw/zinc/87/55/43/1073875543.db2.gz YYVNNOPCNJWDDT-UHFFFAOYSA-N 2 0 400.527 0.905 20 0 HCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000465827280 1080360110 /nfs/dbraw/zinc/36/01/10/1080360110.db2.gz WJYTYVSRXLDHSJ-MOPGFXCFSA-N 2 0 410.607 0.502 20 0 HCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000465827281 1080360159 /nfs/dbraw/zinc/36/01/59/1080360159.db2.gz WJYTYVSRXLDHSJ-OALUTQOASA-N 2 0 410.607 0.502 20 0 HCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000465827282 1080360184 /nfs/dbraw/zinc/36/01/84/1080360184.db2.gz WJYTYVSRXLDHSJ-RBUKOAKNSA-N 2 0 410.607 0.502 20 0 HCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000465827283 1080360868 /nfs/dbraw/zinc/36/08/68/1080360868.db2.gz WJYTYVSRXLDHSJ-RTBURBONSA-N 2 0 410.607 0.502 20 0 HCADRP C[C@H](CNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)C[NH+]1CCN(C)CC1 ZINC000465836072 1080364641 /nfs/dbraw/zinc/36/46/41/1080364641.db2.gz KDEDGHIIJGBAPG-GOSISDBHSA-N 2 0 418.586 0.661 20 0 HCADRP C[C@@H](CNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)C[NH+]1CCN(C)CC1 ZINC000465836078 1080364615 /nfs/dbraw/zinc/36/46/15/1080364615.db2.gz KDEDGHIIJGBAPG-SFHVURJKSA-N 2 0 418.586 0.661 20 0 HCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000465863601 1080444118 /nfs/dbraw/zinc/44/41/18/1080444118.db2.gz CHFFTSIJVUWYJS-GOSISDBHSA-N 2 0 410.607 0.502 20 0 HCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000465863603 1080445119 /nfs/dbraw/zinc/44/51/19/1080445119.db2.gz CHFFTSIJVUWYJS-SFHVURJKSA-N 2 0 410.607 0.502 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000465874274 1080456894 /nfs/dbraw/zinc/45/68/94/1080456894.db2.gz MOJYVRBUKWDYGS-FQEVSTJZSA-N 3 0 424.634 0.987 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000465874275 1080456687 /nfs/dbraw/zinc/45/66/87/1080456687.db2.gz MOJYVRBUKWDYGS-HXUWFJFHSA-N 3 0 424.634 0.987 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000465875775 1080463442 /nfs/dbraw/zinc/46/34/42/1080463442.db2.gz MFSMCGLLTIVZAR-IBGZPJMESA-N 2 0 410.607 0.597 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000465875776 1080463267 /nfs/dbraw/zinc/46/32/67/1080463267.db2.gz MFSMCGLLTIVZAR-LJQANCHMSA-N 2 0 410.607 0.597 20 0 HCADRP C[NH+](C)C1(CNC(=O)NCCCC[NH+]2CCN(CCO)CC2)Cc2ccccc2C1 ZINC000465923568 1080537321 /nfs/dbraw/zinc/53/73/21/1080537321.db2.gz DZSFPGQOYRCKBZ-UHFFFAOYSA-N 2 0 417.598 0.775 20 0 HCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465945823 1080570974 /nfs/dbraw/zinc/57/09/74/1080570974.db2.gz ALTNQEDNMHAJER-AQNXPRMDSA-N 2 0 422.618 0.774 20 0 HCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465945825 1080570757 /nfs/dbraw/zinc/57/07/57/1080570757.db2.gz ALTNQEDNMHAJER-HSALFYBXSA-N 2 0 422.618 0.774 20 0 HCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465945827 1080571022 /nfs/dbraw/zinc/57/10/22/1080571022.db2.gz ALTNQEDNMHAJER-VAMGGRTRSA-N 2 0 422.618 0.774 20 0 HCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465945829 1080570992 /nfs/dbraw/zinc/57/09/92/1080570992.db2.gz ALTNQEDNMHAJER-ZCNNSNEGSA-N 2 0 422.618 0.774 20 0 HCADRP CN1CCC(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)([NH+]2CCCCC2)CC1 ZINC000465947830 1080572545 /nfs/dbraw/zinc/57/25/45/1080572545.db2.gz ICVIDQFJZJUPGD-IBGZPJMESA-N 2 0 422.618 0.823 20 0 HCADRP CN1CCC(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)([NH+]2CCCCC2)CC1 ZINC000465947834 1080572403 /nfs/dbraw/zinc/57/24/03/1080572403.db2.gz ICVIDQFJZJUPGD-LJQANCHMSA-N 2 0 422.618 0.823 20 0 HCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000465949721 1080575889 /nfs/dbraw/zinc/57/58/89/1080575889.db2.gz FRDLANOKMGNITM-GOSISDBHSA-N 2 0 409.575 0.908 20 0 HCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000465949722 1080575758 /nfs/dbraw/zinc/57/57/58/1080575758.db2.gz FRDLANOKMGNITM-SFHVURJKSA-N 2 0 409.575 0.908 20 0 HCADRP C[NH+](C)C1(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)Cc2ccccc2C1 ZINC000465951252 1080576862 /nfs/dbraw/zinc/57/68/62/1080576862.db2.gz IFHRFXVMHMBOGV-IBGZPJMESA-N 2 0 401.555 0.972 20 0 HCADRP C[NH+](C)C1(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)Cc2ccccc2C1 ZINC000465951253 1080577068 /nfs/dbraw/zinc/57/70/68/1080577068.db2.gz IFHRFXVMHMBOGV-LJQANCHMSA-N 2 0 401.555 0.972 20 0 HCADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465952495 1080578569 /nfs/dbraw/zinc/57/85/69/1080578569.db2.gz KGFXJOXZPNVHRE-MOPGFXCFSA-N 2 0 408.591 0.385 20 0 HCADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465952496 1080578378 /nfs/dbraw/zinc/57/83/78/1080578378.db2.gz KGFXJOXZPNVHRE-OALUTQOASA-N 2 0 408.591 0.385 20 0 HCADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465952497 1080578669 /nfs/dbraw/zinc/57/86/69/1080578669.db2.gz KGFXJOXZPNVHRE-RBUKOAKNSA-N 2 0 408.591 0.385 20 0 HCADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465952498 1080578528 /nfs/dbraw/zinc/57/85/28/1080578528.db2.gz KGFXJOXZPNVHRE-RTBURBONSA-N 2 0 408.591 0.385 20 0 HCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000465952505 1080578316 /nfs/dbraw/zinc/57/83/16/1080578316.db2.gz KIJWTXZIGLNPRJ-IBGZPJMESA-N 2 0 409.575 0.718 20 0 HCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000465952506 1080578482 /nfs/dbraw/zinc/57/84/82/1080578482.db2.gz KIJWTXZIGLNPRJ-LJQANCHMSA-N 2 0 409.575 0.718 20 0 HCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000465953081 1080578747 /nfs/dbraw/zinc/57/87/47/1080578747.db2.gz LBCIZTJPROJJRR-DENIHFKCSA-N 2 0 417.554 0.510 20 0 HCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000465953082 1080578807 /nfs/dbraw/zinc/57/88/07/1080578807.db2.gz LBCIZTJPROJJRR-KNQAVFIVSA-N 2 0 417.554 0.510 20 0 HCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000465953083 1080578443 /nfs/dbraw/zinc/57/84/43/1080578443.db2.gz LBCIZTJPROJJRR-SIKLNZKXSA-N 2 0 417.554 0.510 20 0 HCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000465953084 1080578629 /nfs/dbraw/zinc/57/86/29/1080578629.db2.gz LBCIZTJPROJJRR-UGKGYDQZSA-N 2 0 417.554 0.510 20 0 HCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000465963922 1080595168 /nfs/dbraw/zinc/59/51/68/1080595168.db2.gz ZIGZRMWVCPYHJP-GOSISDBHSA-N 2 0 409.575 0.860 20 0 HCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000465963924 1080595073 /nfs/dbraw/zinc/59/50/73/1080595073.db2.gz ZIGZRMWVCPYHJP-SFHVURJKSA-N 2 0 409.575 0.860 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000465993286 1080765937 /nfs/dbraw/zinc/76/59/37/1080765937.db2.gz WSHMGPWVOLRZBN-AEFFLSMTSA-N 2 0 405.547 0.583 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000465993287 1080766031 /nfs/dbraw/zinc/76/60/31/1080766031.db2.gz WSHMGPWVOLRZBN-FUHWJXTLSA-N 2 0 405.547 0.583 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000465993288 1080765827 /nfs/dbraw/zinc/76/58/27/1080765827.db2.gz WSHMGPWVOLRZBN-SJLPKXTDSA-N 2 0 405.547 0.583 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000465993289 1080766011 /nfs/dbraw/zinc/76/60/11/1080766011.db2.gz WSHMGPWVOLRZBN-WMZOPIPTSA-N 2 0 405.547 0.583 20 0 HCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000466110873 1080893973 /nfs/dbraw/zinc/89/39/73/1080893973.db2.gz UHPUJCJGXRBTDF-IBGZPJMESA-N 2 0 408.591 0.210 20 0 HCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000466110874 1080894379 /nfs/dbraw/zinc/89/43/79/1080894379.db2.gz UHPUJCJGXRBTDF-LJQANCHMSA-N 2 0 408.591 0.210 20 0 HCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC000466114050 1080895020 /nfs/dbraw/zinc/89/50/20/1080895020.db2.gz GUJFOADVTWMADF-IBGZPJMESA-N 2 0 410.607 0.456 20 0 HCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC000466114051 1080895060 /nfs/dbraw/zinc/89/50/60/1080895060.db2.gz GUJFOADVTWMADF-LJQANCHMSA-N 2 0 410.607 0.456 20 0 HCADRP C[C@H](CNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000466132602 1080925850 /nfs/dbraw/zinc/92/58/50/1080925850.db2.gz COUDCSUVRNSUSZ-DENIHFKCSA-N 2 0 403.571 0.806 20 0 HCADRP C[C@H](CNC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000466132603 1080925193 /nfs/dbraw/zinc/92/51/93/1080925193.db2.gz COUDCSUVRNSUSZ-KNQAVFIVSA-N 2 0 403.571 0.806 20 0 HCADRP C[C@@H](CNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000466132604 1080925290 /nfs/dbraw/zinc/92/52/90/1080925290.db2.gz COUDCSUVRNSUSZ-SIKLNZKXSA-N 2 0 403.571 0.806 20 0 HCADRP C[C@@H](CNC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000466132605 1080925676 /nfs/dbraw/zinc/92/56/76/1080925676.db2.gz COUDCSUVRNSUSZ-UGKGYDQZSA-N 2 0 403.571 0.806 20 0 HCADRP CN1CCC(CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)([NH+]2CCCCC2)CC1 ZINC000466143710 1080942509 /nfs/dbraw/zinc/94/25/09/1080942509.db2.gz KPDOISMEQVQECS-GOSISDBHSA-N 2 0 408.591 0.576 20 0 HCADRP CN1CCC(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)([NH+]2CCCCC2)CC1 ZINC000466143720 1080942652 /nfs/dbraw/zinc/94/26/52/1080942652.db2.gz KPDOISMEQVQECS-SFHVURJKSA-N 2 0 408.591 0.576 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000466160580 1080963743 /nfs/dbraw/zinc/96/37/43/1080963743.db2.gz GVJNYDHQODUOKU-MSOLQXFVSA-N 2 0 419.574 0.973 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000466160583 1080963207 /nfs/dbraw/zinc/96/32/07/1080963207.db2.gz GVJNYDHQODUOKU-QZTJIDSGSA-N 2 0 419.574 0.973 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000466160586 1080963973 /nfs/dbraw/zinc/96/39/73/1080963973.db2.gz GVJNYDHQODUOKU-ROUUACIJSA-N 2 0 419.574 0.973 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000466160590 1080963293 /nfs/dbraw/zinc/96/32/93/1080963293.db2.gz GVJNYDHQODUOKU-ZWKOTPCHSA-N 2 0 419.574 0.973 20 0 HCADRP Cn1ccc(N2CCC[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C2=O)n1 ZINC000466172880 1080978813 /nfs/dbraw/zinc/97/88/13/1080978813.db2.gz WDFLADPOAISXLY-KRWDZBQOSA-N 2 0 407.563 0.831 20 0 HCADRP Cn1ccc(N2CCC[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C2=O)n1 ZINC000466172881 1080978507 /nfs/dbraw/zinc/97/85/07/1080978507.db2.gz WDFLADPOAISXLY-QGZVFWFLSA-N 2 0 407.563 0.831 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000466247823 1081041466 /nfs/dbraw/zinc/04/14/66/1081041466.db2.gz MQTSCWSDJONHLZ-MSOLQXFVSA-N 2 0 419.574 0.891 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000466247824 1081041560 /nfs/dbraw/zinc/04/15/60/1081041560.db2.gz MQTSCWSDJONHLZ-QZTJIDSGSA-N 2 0 419.574 0.891 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000466247825 1081041633 /nfs/dbraw/zinc/04/16/33/1081041633.db2.gz MQTSCWSDJONHLZ-ROUUACIJSA-N 2 0 419.574 0.891 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000466247826 1081041714 /nfs/dbraw/zinc/04/17/14/1081041714.db2.gz MQTSCWSDJONHLZ-ZWKOTPCHSA-N 2 0 419.574 0.891 20 0 HCADRP Cc1cc(N2CC[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C2=O)n(C)n1 ZINC000466254181 1081044031 /nfs/dbraw/zinc/04/40/31/1081044031.db2.gz PBQDOYOLBIZWCM-KRWDZBQOSA-N 2 0 407.563 0.749 20 0 HCADRP Cc1cc(N2CC[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C2=O)n(C)n1 ZINC000466254198 1081044044 /nfs/dbraw/zinc/04/40/44/1081044044.db2.gz PBQDOYOLBIZWCM-QGZVFWFLSA-N 2 0 407.563 0.749 20 0 HCADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000466538554 1081260507 /nfs/dbraw/zinc/26/05/07/1081260507.db2.gz COCDBLDXXQZFCO-UHFFFAOYSA-N 2 0 410.559 0.271 20 0 HCADRP C[NH+](C)CCCN(C(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000467644633 1079455516 /nfs/dbraw/zinc/45/55/16/1079455516.db2.gz CISHNVJGWWGKQB-SFHVURJKSA-N 2 0 423.583 0.414 20 0 HCADRP COCC[NH+]1CC[C@H](NC(=O)c2ccc(C(=O)N[C@H]3CC[N@@H+](CCOC)C3)o2)C1 ZINC000473693864 1080072110 /nfs/dbraw/zinc/07/21/10/1080072110.db2.gz BICOZDILUUVUDJ-HOTGVXAUSA-N 2 0 408.499 0.181 20 0 HCADRP COCC[NH+]1CC[C@@H](NC(=O)c2ccc(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)o2)C1 ZINC000473693866 1080072429 /nfs/dbraw/zinc/07/24/29/1080072429.db2.gz BICOZDILUUVUDJ-HZPDHXFCSA-N 2 0 408.499 0.181 20 0 HCADRP COCC[NH+]1CC[C@@H](NC(=O)c2ccc(C(=O)N[C@H]3CC[N@@H+](CCOC)C3)o2)C1 ZINC000473693869 1080072254 /nfs/dbraw/zinc/07/22/54/1080072254.db2.gz BICOZDILUUVUDJ-IYBDPMFKSA-N 2 0 408.499 0.181 20 0 HCADRP COc1c[nH+]ccc1N1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000474352691 1080243042 /nfs/dbraw/zinc/24/30/42/1080243042.db2.gz UEWAMQQUFAENIP-UHFFFAOYSA-N 2 0 418.542 0.865 20 0 HCADRP C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)CC1 ZINC000491572574 1077250103 /nfs/dbraw/zinc/25/01/03/1077250103.db2.gz NRACMERCQKZJSS-KRWDZBQOSA-N 2 0 413.522 0.709 20 0 HCADRP C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC000491572575 1077249930 /nfs/dbraw/zinc/24/99/30/1077249930.db2.gz NRACMERCQKZJSS-QGZVFWFLSA-N 2 0 413.522 0.709 20 0 HCADRP COc1ccc(COC[C@@H](O)CN2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1OC ZINC000491936995 1077270813 /nfs/dbraw/zinc/27/08/13/1077270813.db2.gz JNANAJSQUBDGOJ-IBGZPJMESA-N 2 0 421.538 0.821 20 0 HCADRP COc1ccc(COC[C@H](O)CN2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1OC ZINC000491936996 1077270702 /nfs/dbraw/zinc/27/07/02/1077270702.db2.gz JNANAJSQUBDGOJ-LJQANCHMSA-N 2 0 421.538 0.821 20 0 HCADRP NC(=O)c1cccnc1N1CC[NH+](CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000492273658 1077285290 /nfs/dbraw/zinc/28/52/90/1077285290.db2.gz TWDSGVGQHKUPCB-UHFFFAOYSA-N 2 0 423.521 0.436 20 0 HCADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000492625875 1077301848 /nfs/dbraw/zinc/30/18/48/1077301848.db2.gz GXFOZZNHYRMOFT-DLBZAZTESA-N 2 0 405.543 0.575 20 0 HCADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@H](C)C1 ZINC000492625876 1077301803 /nfs/dbraw/zinc/30/18/03/1077301803.db2.gz GXFOZZNHYRMOFT-IAGOWNOFSA-N 2 0 405.543 0.575 20 0 HCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000492625877 1077301916 /nfs/dbraw/zinc/30/19/16/1077301916.db2.gz GXFOZZNHYRMOFT-IRXDYDNUSA-N 2 0 405.543 0.575 20 0 HCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@H](C)C1 ZINC000492625878 1077301888 /nfs/dbraw/zinc/30/18/88/1077301888.db2.gz GXFOZZNHYRMOFT-SJORKVTESA-N 2 0 405.543 0.575 20 0 HCADRP CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)CC1 ZINC000492652404 1077304865 /nfs/dbraw/zinc/30/48/65/1077304865.db2.gz DAEMPHXTSLXPDY-UHFFFAOYSA-N 2 0 409.619 0.957 20 0 HCADRP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492705555 1077307630 /nfs/dbraw/zinc/30/76/30/1077307630.db2.gz QTBPOHWWYQKGAQ-GOSISDBHSA-N 2 0 405.543 0.522 20 0 HCADRP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492705556 1077307670 /nfs/dbraw/zinc/30/76/70/1077307670.db2.gz QTBPOHWWYQKGAQ-SFHVURJKSA-N 2 0 405.543 0.522 20 0 HCADRP C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492837741 1077316957 /nfs/dbraw/zinc/31/69/57/1077316957.db2.gz XAULELQQZIQNPO-IBGZPJMESA-N 2 0 403.571 0.999 20 0 HCADRP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492837744 1077317093 /nfs/dbraw/zinc/31/70/93/1077317093.db2.gz XAULELQQZIQNPO-LJQANCHMSA-N 2 0 403.571 0.999 20 0 HCADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000492852558 1077317460 /nfs/dbraw/zinc/31/74/60/1077317460.db2.gz NXQKZZKPNBOTLQ-UHFFFAOYSA-N 2 0 407.584 0.602 20 0 HCADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000492995352 1077321503 /nfs/dbraw/zinc/32/15/03/1077321503.db2.gz RLWWIKMXSVUEDA-UHFFFAOYSA-N 2 0 415.582 0.977 20 0 HCADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000492995915 1077321452 /nfs/dbraw/zinc/32/14/52/1077321452.db2.gz UABNFDDLGSGTMA-UHFFFAOYSA-N 2 0 416.570 0.932 20 0 HCADRP CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH2+]CC3(O)CC[NH+](C)CC3)CC2)cc1 ZINC000493229950 1077329616 /nfs/dbraw/zinc/32/96/16/1077329616.db2.gz OHSZRVIXOXQYJG-UHFFFAOYSA-N 2 0 424.567 0.844 20 0 HCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000493250454 1077337741 /nfs/dbraw/zinc/33/77/41/1077337741.db2.gz SICJXTPTJADFSC-GOSISDBHSA-N 2 0 406.552 0.925 20 0 HCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000493250455 1077337838 /nfs/dbraw/zinc/33/78/38/1077337838.db2.gz SICJXTPTJADFSC-SFHVURJKSA-N 2 0 406.552 0.925 20 0 HCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1COCCN1CC(F)(F)F ZINC000493276310 1077337885 /nfs/dbraw/zinc/33/78/85/1077337885.db2.gz ICNNRIXJNNQQKQ-KRWDZBQOSA-N 2 0 415.460 0.973 20 0 HCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1COCCN1CC(F)(F)F ZINC000493276311 1077337820 /nfs/dbraw/zinc/33/78/20/1077337820.db2.gz ICNNRIXJNNQQKQ-QGZVFWFLSA-N 2 0 415.460 0.973 20 0 HCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NC[C@H]2CN(C3CC3)CCO2)CC1 ZINC000493937413 1077378627 /nfs/dbraw/zinc/37/86/27/1077378627.db2.gz QBCCMHKVEXRRDQ-IBGZPJMESA-N 2 0 423.602 0.975 20 0 HCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NC[C@@H]2CN(C3CC3)CCO2)CC1 ZINC000493937414 1077378669 /nfs/dbraw/zinc/37/86/69/1077378669.db2.gz QBCCMHKVEXRRDQ-LJQANCHMSA-N 2 0 423.602 0.975 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000494004885 1077386220 /nfs/dbraw/zinc/38/62/20/1077386220.db2.gz UNUIQGUAWYWILV-OTWHNJEPSA-N 2 0 410.559 0.267 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000494004887 1077386208 /nfs/dbraw/zinc/38/62/08/1077386208.db2.gz UNUIQGUAWYWILV-QRVBRYPASA-N 2 0 410.559 0.267 20 0 HCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000494200387 1077440328 /nfs/dbraw/zinc/44/03/28/1077440328.db2.gz DEURVQKOXYJLDY-PMACEKPBSA-N 2 0 417.554 0.438 20 0 HCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000494200388 1077440147 /nfs/dbraw/zinc/44/01/47/1077440147.db2.gz DEURVQKOXYJLDY-UXHICEINSA-N 2 0 417.554 0.438 20 0 HCADRP CCS(=O)(=O)NCC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000494540630 1077554787 /nfs/dbraw/zinc/55/47/87/1077554787.db2.gz CVLZWDKVKVCEOS-UHFFFAOYSA-N 2 0 410.584 0.886 20 0 HCADRP C[N@H+](CCNC(=O)C1CC[NH+](CCN2C(=O)CNC2=O)CC1)Cc1ccccc1 ZINC000494542229 1077555191 /nfs/dbraw/zinc/55/51/91/1077555191.db2.gz AYRVLONODXGDKI-UHFFFAOYSA-N 2 0 401.511 0.498 20 0 HCADRP C[N@H+](CCNC(=O)C1CC[NH+](CCCC(=O)NC(N)=O)CC1)Cc1ccccc1 ZINC000494547159 1077556355 /nfs/dbraw/zinc/55/63/55/1077556355.db2.gz NTTSCGDIWYWEFG-UHFFFAOYSA-N 2 0 403.527 0.922 20 0 HCADRP C[N@H+](CCNC(=O)C1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1)Cc1ccccc1 ZINC000494548845 1077556403 /nfs/dbraw/zinc/55/64/03/1077556403.db2.gz TUFZJQBAOKHCAW-NRFANRHFSA-N 2 0 416.566 0.930 20 0 HCADRP C[N@H+](CCNC(=O)C1CC[NH+](C[C@@H](O)CN2CCCC2=O)CC1)Cc1ccccc1 ZINC000494548847 1077556160 /nfs/dbraw/zinc/55/61/60/1077556160.db2.gz TUFZJQBAOKHCAW-OAQYLSRUSA-N 2 0 416.566 0.930 20 0 HCADRP C[N@H+](CCNC(=O)C1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1)Cc1ccccc1 ZINC000494550321 1077560096 /nfs/dbraw/zinc/56/00/96/1077560096.db2.gz YCVKFWXKSCSUPY-JOCHJYFZSA-N 2 0 418.582 0.640 20 0 HCADRP C[N@H+](CCNC(=O)C1CC[NH+](C[C@H](O)CN2CCOCC2)CC1)Cc1ccccc1 ZINC000494550322 1077560003 /nfs/dbraw/zinc/56/00/03/1077560003.db2.gz YCVKFWXKSCSUPY-QFIPXVFZSA-N 2 0 418.582 0.640 20 0 HCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000494570632 1077559634 /nfs/dbraw/zinc/55/96/34/1077559634.db2.gz PRLIMPVUNYALQZ-MOPGFXCFSA-N 2 0 419.574 0.475 20 0 HCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000494570633 1077559264 /nfs/dbraw/zinc/55/92/64/1077559264.db2.gz PRLIMPVUNYALQZ-OALUTQOASA-N 2 0 419.574 0.475 20 0 HCADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000494570634 1077559328 /nfs/dbraw/zinc/55/93/28/1077559328.db2.gz PRLIMPVUNYALQZ-RBUKOAKNSA-N 2 0 419.574 0.475 20 0 HCADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000494570635 1077559533 /nfs/dbraw/zinc/55/95/33/1077559533.db2.gz PRLIMPVUNYALQZ-RTBURBONSA-N 2 0 419.574 0.475 20 0 HCADRP C[N@H+](CCNC(=O)C1CC[NH+](CC(=O)N2CCOCC2)CC1)Cc1ccccc1 ZINC000494576438 1077561617 /nfs/dbraw/zinc/56/16/17/1077561617.db2.gz AHRZQQQEPXANPU-UHFFFAOYSA-N 2 0 402.539 0.805 20 0 HCADRP CNS(=O)(=O)CCC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000494582548 1077562158 /nfs/dbraw/zinc/56/21/58/1077562158.db2.gz PCXNAJIJTDNCKK-UHFFFAOYSA-N 2 0 410.584 0.886 20 0 HCADRP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCCCC[NH+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494702652 1077591295 /nfs/dbraw/zinc/59/12/95/1077591295.db2.gz JYRSJZNUSDVZFZ-CALCHBBNSA-N 2 0 424.633 0.184 20 0 HCADRP CNS(=O)(=O)C[C@H]1CCC[NH+]1CCCCC[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494702653 1077591510 /nfs/dbraw/zinc/59/15/10/1077591510.db2.gz JYRSJZNUSDVZFZ-IAGOWNOFSA-N 2 0 424.633 0.184 20 0 HCADRP CNS(=O)(=O)C[C@@H]1CCC[NH+]1CCCCC[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494702654 1077591424 /nfs/dbraw/zinc/59/14/24/1077591424.db2.gz JYRSJZNUSDVZFZ-IRXDYDNUSA-N 2 0 424.633 0.184 20 0 HCADRP O=C(CN1CC[NH+](C[C@@H]2CCOC2)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000494749930 1077607075 /nfs/dbraw/zinc/60/70/75/1077607075.db2.gz WLEJLGMQGVCUOC-FQEVSTJZSA-N 2 0 408.587 0.792 20 0 HCADRP O=C(CN1CC[NH+](C[C@H]2CCOC2)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000494749931 1077606726 /nfs/dbraw/zinc/60/67/26/1077606726.db2.gz WLEJLGMQGVCUOC-HXUWFJFHSA-N 2 0 408.587 0.792 20 0 HCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000494870425 1077662742 /nfs/dbraw/zinc/66/27/42/1077662742.db2.gz HXJTWWXHCBYOPV-HKUYNNGSSA-N 2 0 409.575 0.824 20 0 HCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000494870426 1077662812 /nfs/dbraw/zinc/66/28/12/1077662812.db2.gz HXJTWWXHCBYOPV-IEBWSBKVSA-N 2 0 409.575 0.824 20 0 HCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000494870427 1077662890 /nfs/dbraw/zinc/66/28/90/1077662890.db2.gz HXJTWWXHCBYOPV-MJGOQNOKSA-N 2 0 409.575 0.824 20 0 HCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000494870428 1077662709 /nfs/dbraw/zinc/66/27/09/1077662709.db2.gz HXJTWWXHCBYOPV-PKOBYXMFSA-N 2 0 409.575 0.824 20 0 HCADRP CC[NH+]1CCC[C@@H]1CNC(=O)c1ccc(=O)n(CC(=O)NC[C@@H]2CCC[N@H+]2CC)n1 ZINC000494902753 1077669137 /nfs/dbraw/zinc/66/91/37/1077669137.db2.gz KDWKBPIBZPMZFB-DLBZAZTESA-N 2 0 418.542 0.058 20 0 HCADRP CC[NH+]1CCC[C@@H]1CNC(=O)c1ccc(=O)n(CC(=O)NC[C@H]2CCC[N@H+]2CC)n1 ZINC000494902854 1077668695 /nfs/dbraw/zinc/66/86/95/1077668695.db2.gz KDWKBPIBZPMZFB-IAGOWNOFSA-N 2 0 418.542 0.058 20 0 HCADRP CC[NH+]1CCC[C@H]1CNC(=O)c1ccc(=O)n(CC(=O)NC[C@@H]2CCC[N@H+]2CC)n1 ZINC000494902855 1077668897 /nfs/dbraw/zinc/66/88/97/1077668897.db2.gz KDWKBPIBZPMZFB-IRXDYDNUSA-N 2 0 418.542 0.058 20 0 HCADRP CC[NH+]1CCC[C@H]1CNC(=O)c1ccc(=O)n(CC(=O)NC[C@H]2CCC[N@H+]2CC)n1 ZINC000494902856 1077668882 /nfs/dbraw/zinc/66/88/82/1077668882.db2.gz KDWKBPIBZPMZFB-SJORKVTESA-N 2 0 418.542 0.058 20 0 HCADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CC1=O ZINC000494934749 1077680264 /nfs/dbraw/zinc/68/02/64/1077680264.db2.gz VPGQHMKPPTVUEI-AQNXPRMDSA-N 2 0 402.539 0.396 20 0 HCADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CC1=O ZINC000494934750 1077680272 /nfs/dbraw/zinc/68/02/72/1077680272.db2.gz VPGQHMKPPTVUEI-VAMGGRTRSA-N 2 0 402.539 0.396 20 0 HCADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CC1=O ZINC000494934751 1077680362 /nfs/dbraw/zinc/68/03/62/1077680362.db2.gz VPGQHMKPPTVUEI-XUVXKRRUSA-N 2 0 402.539 0.396 20 0 HCADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CC1=O ZINC000494934752 1077680446 /nfs/dbraw/zinc/68/04/46/1077680446.db2.gz VPGQHMKPPTVUEI-ZCNNSNEGSA-N 2 0 402.539 0.396 20 0 HCADRP O=C(Cn1nc(C(=O)NCC[NH+]2CCCCC2)ccc1=O)NCC[NH+]1CCCCC1 ZINC000495033082 1077706738 /nfs/dbraw/zinc/70/67/38/1077706738.db2.gz XCUJORQVVPUFFU-UHFFFAOYSA-N 2 0 418.542 0.061 20 0 HCADRP C[N@H+](CCNC(=O)C1CC[NH+](CC(=O)N2CCNC2=O)CC1)Cc1ccccc1 ZINC000495056502 1077723406 /nfs/dbraw/zinc/72/34/06/1077723406.db2.gz DETISDMKJLUCQM-UHFFFAOYSA-N 2 0 401.511 0.498 20 0 HCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000495132062 1077742275 /nfs/dbraw/zinc/74/22/75/1077742275.db2.gz RVICMJPOCYJBOF-FQEVSTJZSA-N 2 0 402.539 0.961 20 0 HCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000495132063 1077742464 /nfs/dbraw/zinc/74/24/64/1077742464.db2.gz RVICMJPOCYJBOF-HXUWFJFHSA-N 2 0 402.539 0.961 20 0 HCADRP C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@@H]43)ccc2oc1=O ZINC000496035843 1077974266 /nfs/dbraw/zinc/97/42/66/1077974266.db2.gz ZHCAYDXCLFKPHE-PBHICJAKSA-N 2 0 415.494 0.647 20 0 HCADRP C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)ccc2oc1=O ZINC000496035844 1077974326 /nfs/dbraw/zinc/97/43/26/1077974326.db2.gz ZHCAYDXCLFKPHE-RHSMWYFYSA-N 2 0 415.494 0.647 20 0 HCADRP C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)ccc2oc1=O ZINC000496035845 1077974032 /nfs/dbraw/zinc/97/40/32/1077974032.db2.gz ZHCAYDXCLFKPHE-WMLDXEAASA-N 2 0 415.494 0.647 20 0 HCADRP C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)ccc2oc1=O ZINC000496035846 1077974145 /nfs/dbraw/zinc/97/41/45/1077974145.db2.gz ZHCAYDXCLFKPHE-YOEHRIQHSA-N 2 0 415.494 0.647 20 0 HCADRP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000496260315 1078057402 /nfs/dbraw/zinc/05/74/02/1078057402.db2.gz BWUPIUYHIGAYIK-MOPGFXCFSA-N 2 0 401.555 0.690 20 0 HCADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000496260324 1078057306 /nfs/dbraw/zinc/05/73/06/1078057306.db2.gz BWUPIUYHIGAYIK-OALUTQOASA-N 2 0 401.555 0.690 20 0 HCADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)[C@H]1c1ccccc1 ZINC000496260325 1078057454 /nfs/dbraw/zinc/05/74/54/1078057454.db2.gz BWUPIUYHIGAYIK-RBUKOAKNSA-N 2 0 401.555 0.690 20 0 HCADRP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)[C@H]1c1ccccc1 ZINC000496260326 1078057536 /nfs/dbraw/zinc/05/75/36/1078057536.db2.gz BWUPIUYHIGAYIK-RTBURBONSA-N 2 0 401.555 0.690 20 0 HCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000496261801 1078057803 /nfs/dbraw/zinc/05/78/03/1078057803.db2.gz GAQCJCUALKFACR-UHFFFAOYSA-N 2 0 411.591 0.134 20 0 HCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000496262733 1078057747 /nfs/dbraw/zinc/05/77/47/1078057747.db2.gz HOWWIMVUAGDYAH-GOSISDBHSA-N 2 0 411.591 0.088 20 0 HCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000496262734 1078057707 /nfs/dbraw/zinc/05/77/07/1078057707.db2.gz HOWWIMVUAGDYAH-SFHVURJKSA-N 2 0 411.591 0.088 20 0 HCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1(C)C ZINC000496265765 1078058677 /nfs/dbraw/zinc/05/86/77/1078058677.db2.gz MDNINNHHVWQBES-HKUYNNGSSA-N 2 0 405.587 0.604 20 0 HCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1(C)C ZINC000496265772 1078058598 /nfs/dbraw/zinc/05/85/98/1078058598.db2.gz MDNINNHHVWQBES-IEBWSBKVSA-N 2 0 405.587 0.604 20 0 HCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1(C)C ZINC000496265774 1078058375 /nfs/dbraw/zinc/05/83/75/1078058375.db2.gz MDNINNHHVWQBES-MJGOQNOKSA-N 2 0 405.587 0.604 20 0 HCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1(C)C ZINC000496265775 1078058550 /nfs/dbraw/zinc/05/85/50/1078058550.db2.gz MDNINNHHVWQBES-PKOBYXMFSA-N 2 0 405.587 0.604 20 0 HCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)CC1(C)C ZINC000496266492 1078058165 /nfs/dbraw/zinc/05/81/65/1078058165.db2.gz NMDQCTIOIPOIQP-UHFFFAOYSA-N 2 0 407.603 0.853 20 0 HCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496266855 1078058629 /nfs/dbraw/zinc/05/86/29/1078058629.db2.gz OEAZUPFGGVQOIF-UHFFFAOYSA-N 2 0 409.600 0.781 20 0 HCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000496267783 1078058962 /nfs/dbraw/zinc/05/89/62/1078058962.db2.gz RVDBJUQBURACIU-UHFFFAOYSA-N 2 0 411.591 0.088 20 0 HCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000496267938 1078059154 /nfs/dbraw/zinc/05/91/54/1078059154.db2.gz SFDGFQBWQMOUCG-AZUAARDMSA-N 2 0 415.582 0.908 20 0 HCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000496267941 1078059075 /nfs/dbraw/zinc/05/90/75/1078059075.db2.gz SFDGFQBWQMOUCG-ICSRJNTNSA-N 2 0 415.582 0.908 20 0 HCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000496267943 1078059019 /nfs/dbraw/zinc/05/90/19/1078059019.db2.gz SFDGFQBWQMOUCG-QUCCMNQESA-N 2 0 415.582 0.908 20 0 HCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000496267944 1078058929 /nfs/dbraw/zinc/05/89/29/1078058929.db2.gz SFDGFQBWQMOUCG-UYAOXDASSA-N 2 0 415.582 0.908 20 0 HCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000496280010 1078059557 /nfs/dbraw/zinc/05/95/57/1078059557.db2.gz BDMOCHICVXTIBN-FQEVSTJZSA-N 2 0 407.603 0.996 20 0 HCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000496280011 1078059787 /nfs/dbraw/zinc/05/97/87/1078059787.db2.gz BDMOCHICVXTIBN-HXUWFJFHSA-N 2 0 407.603 0.996 20 0 HCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1(C)C ZINC000496281454 1078059513 /nfs/dbraw/zinc/05/95/13/1078059513.db2.gz FVWYOGWGQBTSSH-MOPGFXCFSA-N 2 0 423.602 0.013 20 0 HCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1(C)C ZINC000496281455 1078059694 /nfs/dbraw/zinc/05/96/94/1078059694.db2.gz FVWYOGWGQBTSSH-OALUTQOASA-N 2 0 423.602 0.013 20 0 HCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1(C)C ZINC000496281456 1078059952 /nfs/dbraw/zinc/05/99/52/1078059952.db2.gz FVWYOGWGQBTSSH-RBUKOAKNSA-N 2 0 423.602 0.013 20 0 HCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1(C)C ZINC000496281457 1078060212 /nfs/dbraw/zinc/06/02/12/1078060212.db2.gz FVWYOGWGQBTSSH-RTBURBONSA-N 2 0 423.602 0.013 20 0 HCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1(C)C ZINC000496281587 1078059774 /nfs/dbraw/zinc/05/97/74/1078059774.db2.gz GJUGINSSQGDITL-UHFFFAOYSA-N 2 0 416.570 0.556 20 0 HCADRP C[C@@H](NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000496282578 1078060085 /nfs/dbraw/zinc/06/00/85/1078060085.db2.gz JLLLGNAWQOQQPZ-MSOLQXFVSA-N 2 0 407.603 0.898 20 0 HCADRP C[C@@H](NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000496282579 1078059921 /nfs/dbraw/zinc/05/99/21/1078059921.db2.gz JLLLGNAWQOQQPZ-QZTJIDSGSA-N 2 0 407.603 0.898 20 0 HCADRP C[C@H](NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000496282580 1078059962 /nfs/dbraw/zinc/05/99/62/1078059962.db2.gz JLLLGNAWQOQQPZ-ROUUACIJSA-N 2 0 407.603 0.898 20 0 HCADRP C[C@H](NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000496282581 1078060161 /nfs/dbraw/zinc/06/01/61/1078060161.db2.gz JLLLGNAWQOQQPZ-ZWKOTPCHSA-N 2 0 407.603 0.898 20 0 HCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1F ZINC000496285870 1078060783 /nfs/dbraw/zinc/06/07/83/1078060783.db2.gz SCBWCHNRVHNMRJ-UHFFFAOYSA-N 2 0 407.534 0.646 20 0 HCADRP CN(C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000496288172 1078061594 /nfs/dbraw/zinc/06/15/94/1078061594.db2.gz YVPXWNLGUZRKHQ-FQEVSTJZSA-N 2 0 415.582 0.862 20 0 HCADRP CN(C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000496288173 1078061714 /nfs/dbraw/zinc/06/17/14/1078061714.db2.gz YVPXWNLGUZRKHQ-HXUWFJFHSA-N 2 0 415.582 0.862 20 0 HCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496330151 1078062483 /nfs/dbraw/zinc/06/24/83/1078062483.db2.gz ODMWWOJDGIUEKJ-AZUAARDMSA-N 2 0 415.582 0.765 20 0 HCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496330157 1078062618 /nfs/dbraw/zinc/06/26/18/1078062618.db2.gz ODMWWOJDGIUEKJ-ICSRJNTNSA-N 2 0 415.582 0.765 20 0 HCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496330158 1078062562 /nfs/dbraw/zinc/06/25/62/1078062562.db2.gz ODMWWOJDGIUEKJ-QUCCMNQESA-N 2 0 415.582 0.765 20 0 HCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496330159 1078062662 /nfs/dbraw/zinc/06/26/62/1078062662.db2.gz ODMWWOJDGIUEKJ-UYAOXDASSA-N 2 0 415.582 0.765 20 0 HCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000496335062 1078065269 /nfs/dbraw/zinc/06/52/69/1078065269.db2.gz ZDEVDSOMYZUOTE-UHFFFAOYSA-N 2 0 403.571 0.549 20 0 HCADRP COC(=O)CCN1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000496353690 1078064069 /nfs/dbraw/zinc/06/40/69/1078064069.db2.gz AADSGUXWJUCLBJ-HKUYNNGSSA-N 2 0 422.570 0.996 20 0 HCADRP COC(=O)CCN1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)[C@H](C)C1 ZINC000496353693 1078064130 /nfs/dbraw/zinc/06/41/30/1078064130.db2.gz AADSGUXWJUCLBJ-IEBWSBKVSA-N 2 0 422.570 0.996 20 0 HCADRP COC(=O)CCN1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@H](C)C1 ZINC000496353695 1078064319 /nfs/dbraw/zinc/06/43/19/1078064319.db2.gz AADSGUXWJUCLBJ-MJGOQNOKSA-N 2 0 422.570 0.996 20 0 HCADRP COC(=O)CCN1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000496353697 1078064112 /nfs/dbraw/zinc/06/41/12/1078064112.db2.gz AADSGUXWJUCLBJ-PKOBYXMFSA-N 2 0 422.570 0.996 20 0 HCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCC[NH+](Cc3ccccc3)CC2)CC1(C)C ZINC000496368198 1078066993 /nfs/dbraw/zinc/06/69/93/1078066993.db2.gz YTLORHSOAKLMES-UHFFFAOYSA-N 2 0 415.582 0.863 20 0 HCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)o1 ZINC000496373480 1078066910 /nfs/dbraw/zinc/06/69/10/1078066910.db2.gz AJQWQICMJBBXRW-UHFFFAOYSA-N 2 0 407.559 0.620 20 0 HCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496380522 1078066692 /nfs/dbraw/zinc/06/66/92/1078066692.db2.gz QWLBYAADXVNERA-UHFFFAOYSA-N 2 0 421.561 0.858 20 0 HCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496381227 1078066849 /nfs/dbraw/zinc/06/68/49/1078066849.db2.gz RPSFQRHWQQVLQC-UHFFFAOYSA-N 2 0 421.561 0.858 20 0 HCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1cccc(F)c1 ZINC000496382690 1078068992 /nfs/dbraw/zinc/06/89/92/1078068992.db2.gz VSJGBRZAJWEDKW-GOSISDBHSA-N 2 0 407.534 0.687 20 0 HCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1cccc(F)c1 ZINC000496382691 1078069076 /nfs/dbraw/zinc/06/90/76/1078069076.db2.gz VSJGBRZAJWEDKW-SFHVURJKSA-N 2 0 407.534 0.687 20 0 HCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496392367 1078067870 /nfs/dbraw/zinc/06/78/70/1078067870.db2.gz CETVFUIPGMJUHJ-UHFFFAOYSA-N 2 0 421.561 0.858 20 0 HCADRP C[NH+](C)C1(CNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)Cc2ccccc2C1 ZINC000496409651 1078070466 /nfs/dbraw/zinc/07/04/66/1078070466.db2.gz CVKGYPQVIZJWNX-UHFFFAOYSA-N 2 0 415.582 0.344 20 0 HCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1(C)C ZINC000496411430 1078069387 /nfs/dbraw/zinc/06/93/87/1078069387.db2.gz MKSVFMFIFFRNTG-UHFFFAOYSA-N 2 0 423.602 0.232 20 0 HCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)CC2)CC1 ZINC000496412799 1078069309 /nfs/dbraw/zinc/06/93/09/1078069309.db2.gz RRSQYTSRLVDYNU-UHFFFAOYSA-N 2 0 407.603 0.852 20 0 HCADRP C[N@H+](CCNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)Cc1ccc(F)cc1 ZINC000496413098 1078069718 /nfs/dbraw/zinc/06/97/18/1078069718.db2.gz STJDQWBSOMSRRN-UHFFFAOYSA-N 2 0 407.534 0.516 20 0 HCADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000497488033 1078257889 /nfs/dbraw/zinc/25/78/89/1078257889.db2.gz JRQQYRLNOMVNNI-PMACEKPBSA-N 2 0 411.591 0.271 20 0 HCADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000497504829 1078262504 /nfs/dbraw/zinc/26/25/04/1078262504.db2.gz NUZZOQIKJKOHEK-UHFFFAOYSA-N 2 0 403.571 0.902 20 0 HCADRP CC[NH+]1CCN(CCC[NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)CC1 ZINC000497521487 1078270299 /nfs/dbraw/zinc/27/02/99/1078270299.db2.gz RTATUCQJDUVFSR-UHFFFAOYSA-N 2 0 412.604 0.797 20 0 HCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000497635686 1078294850 /nfs/dbraw/zinc/29/48/50/1078294850.db2.gz BIZXSNNCSIOWSX-PMACEKPBSA-N 2 0 423.602 0.996 20 0 HCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000497635689 1078295010 /nfs/dbraw/zinc/29/50/10/1078295010.db2.gz BIZXSNNCSIOWSX-UXHICEINSA-N 2 0 423.602 0.996 20 0 HCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000497635691 1078294959 /nfs/dbraw/zinc/29/49/59/1078294959.db2.gz BIZXSNNCSIOWSX-VQTJNVASSA-N 2 0 423.602 0.996 20 0 HCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000497635692 1078294859 /nfs/dbraw/zinc/29/48/59/1078294859.db2.gz BIZXSNNCSIOWSX-WOJBJXKFSA-N 2 0 423.602 0.996 20 0 HCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000497643745 1078299726 /nfs/dbraw/zinc/29/97/26/1078299726.db2.gz SQSRGMQKWIJAHJ-UHFFFAOYSA-N 2 0 418.586 0.757 20 0 HCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000497678948 1078303600 /nfs/dbraw/zinc/30/36/00/1078303600.db2.gz OEMHGJBGCRQKTJ-BHIYHBOVSA-N 2 0 409.575 0.641 20 0 HCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000497678950 1078303635 /nfs/dbraw/zinc/30/36/35/1078303635.db2.gz OEMHGJBGCRQKTJ-NEWSRXKRSA-N 2 0 409.575 0.641 20 0 HCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000497678952 1078303560 /nfs/dbraw/zinc/30/35/60/1078303560.db2.gz OEMHGJBGCRQKTJ-NZSAHSFTSA-N 2 0 409.575 0.641 20 0 HCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000497678955 1078303570 /nfs/dbraw/zinc/30/35/70/1078303570.db2.gz OEMHGJBGCRQKTJ-QRQLOZEOSA-N 2 0 409.575 0.641 20 0 HCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000497685316 1078306650 /nfs/dbraw/zinc/30/66/50/1078306650.db2.gz CFMFCZQBEVOUCB-AABGKKOBSA-N 2 0 423.602 0.996 20 0 HCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000497685317 1078306747 /nfs/dbraw/zinc/30/67/47/1078306747.db2.gz CFMFCZQBEVOUCB-HSALFYBXSA-N 2 0 423.602 0.996 20 0 HCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000497685318 1078306590 /nfs/dbraw/zinc/30/65/90/1078306590.db2.gz CFMFCZQBEVOUCB-SLFFLAALSA-N 2 0 423.602 0.996 20 0 HCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000497685319 1078306712 /nfs/dbraw/zinc/30/67/12/1078306712.db2.gz CFMFCZQBEVOUCB-UFYCRDLUSA-N 2 0 423.602 0.996 20 0 HCADRP Cc1nn(CCC(=O)N2CC([NH+](C)C)C2)c(C)c1CCC(=O)N1CC([NH+](C)C)C1 ZINC000497710949 1078308349 /nfs/dbraw/zinc/30/83/49/1078308349.db2.gz PKNCHNMLQMTHQK-UHFFFAOYSA-N 2 0 404.559 0.367 20 0 HCADRP OC(CN1CCC(C[NH+]2CCOCC2)CC1)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000497758826 1078322618 /nfs/dbraw/zinc/32/26/18/1078322618.db2.gz MVRHAJZKRRZMGB-UHFFFAOYSA-N 3 0 424.630 0.436 20 0 HCADRP C[C@@H]1CN(C2CC[NH+](C[C@@H](O)CN3CCC([N@@H+]4CCO[C@@H](C)C4)CC3)CC2)CCO1 ZINC000497770790 1078322359 /nfs/dbraw/zinc/32/23/59/1078322359.db2.gz ZGFNBQDIWKOTHJ-JHDGKUDLSA-N 2 0 424.630 0.718 20 0 HCADRP C[C@H]1CN(C2CC[NH+](CC(O)CN3CCC([N@@H+]4CCO[C@@H](C)C4)CC3)CC2)CCO1 ZINC000497770793 1078322324 /nfs/dbraw/zinc/32/23/24/1078322324.db2.gz ZGFNBQDIWKOTHJ-PMACEKPBSA-N 2 0 424.630 0.718 20 0 HCADRP C[C@@H]1CN(C2CC[NH+](CC(O)CN3CCC([N@@H+]4CCO[C@H](C)C4)CC3)CC2)CCO1 ZINC000497770795 1078322415 /nfs/dbraw/zinc/32/24/15/1078322415.db2.gz ZGFNBQDIWKOTHJ-WOJBJXKFSA-N 2 0 424.630 0.718 20 0 HCADRP C([C@H]1CC[NH+](CC2(C[N@H+]3CC[C@H](CN4CCOCC4)C3)COC2)C1)N1CCOCC1 ZINC000497845742 1078332485 /nfs/dbraw/zinc/33/24/85/1078332485.db2.gz CMUQLCLDILBWOW-FGZHOGPDSA-N 2 0 422.614 0.311 20 0 HCADRP C([C@@H]1CC[NH+](CC2(C[N@H+]3CC[C@@H](CN4CCOCC4)C3)COC2)C1)N1CCOCC1 ZINC000497845744 1078332405 /nfs/dbraw/zinc/33/24/05/1078332405.db2.gz CMUQLCLDILBWOW-VXKWHMMOSA-N 2 0 422.614 0.311 20 0 HCADRP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C2CCN(CC[NH+](C)C)CC2)CC1 ZINC000497852156 1078333393 /nfs/dbraw/zinc/33/33/93/1078333393.db2.gz IDGBPBRTJKHAAL-UHFFFAOYSA-N 2 0 412.604 0.795 20 0 HCADRP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000497862795 1078334448 /nfs/dbraw/zinc/33/44/48/1078334448.db2.gz COBHXLWZQURFDO-GOSISDBHSA-N 2 0 413.588 0.862 20 0 HCADRP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000497862796 1078334475 /nfs/dbraw/zinc/33/44/75/1078334475.db2.gz COBHXLWZQURFDO-SFHVURJKSA-N 2 0 413.588 0.862 20 0 HCADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)CC1 ZINC000497866778 1078337155 /nfs/dbraw/zinc/33/71/55/1078337155.db2.gz FUQKZYNCMZFNER-HNNXBMFYSA-N 2 0 412.604 0.795 20 0 HCADRP CC[NH+]1CCN([C@H](C)C[NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)CC1 ZINC000497866779 1078337277 /nfs/dbraw/zinc/33/72/77/1078337277.db2.gz FUQKZYNCMZFNER-OAHLLOKOSA-N 2 0 412.604 0.795 20 0 HCADRP C[NH+](C)C[C@H]1CN(C(=O)Cc2occc2C(=O)N2CCO[C@H](C[NH+](C)C)C2)CCO1 ZINC000498119465 1078370768 /nfs/dbraw/zinc/37/07/68/1078370768.db2.gz MAOHGLSCPWBXGD-DLBZAZTESA-N 2 0 422.526 0.014 20 0 HCADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2occc2C(=O)N2CCO[C@H](C[NH+](C)C)C2)CCO1 ZINC000498119466 1078370876 /nfs/dbraw/zinc/37/08/76/1078370876.db2.gz MAOHGLSCPWBXGD-IAGOWNOFSA-N 2 0 422.526 0.014 20 0 HCADRP C[NH+](C)C[C@H]1CN(C(=O)Cc2occc2C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CCO1 ZINC000498119467 1078370681 /nfs/dbraw/zinc/37/06/81/1078370681.db2.gz MAOHGLSCPWBXGD-IRXDYDNUSA-N 2 0 422.526 0.014 20 0 HCADRP C[NH+](C)C[C@H]1CN(C(=O)c2ccoc2CC(=O)N2CCO[C@H](C[NH+](C)C)C2)CCO1 ZINC000498119468 1078370752 /nfs/dbraw/zinc/37/07/52/1078370752.db2.gz MAOHGLSCPWBXGD-SJORKVTESA-N 2 0 422.526 0.014 20 0 HCADRP COCc1cnc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000498322321 1078487386 /nfs/dbraw/zinc/48/73/86/1078487386.db2.gz IBCLUPLMCVXNSV-UHFFFAOYSA-N 2 0 418.523 0.952 20 0 HCADRP COCc1csc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000498325097 1078494817 /nfs/dbraw/zinc/49/48/17/1078494817.db2.gz QJNBFUGTCJAGNI-UHFFFAOYSA-N 2 0 418.523 0.952 20 0 HCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000498330431 1078505790 /nfs/dbraw/zinc/50/57/90/1078505790.db2.gz QKBINJAKHFLRKK-UHFFFAOYSA-N 2 0 417.562 0.468 20 0 HCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000498412489 1078574453 /nfs/dbraw/zinc/57/44/53/1078574453.db2.gz AUOHQLVTTSHPJK-UHFFFAOYSA-N 2 0 401.511 0.836 20 0 HCADRP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000498455354 1078620266 /nfs/dbraw/zinc/62/02/66/1078620266.db2.gz SYGFTUUVMMJGMD-HNNXBMFYSA-N 2 0 412.604 0.653 20 0 HCADRP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000498455355 1078620084 /nfs/dbraw/zinc/62/00/84/1078620084.db2.gz SYGFTUUVMMJGMD-OAHLLOKOSA-N 2 0 412.604 0.653 20 0 HCADRP CNS(=O)(=O)c1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000498523042 1073441002 /nfs/dbraw/zinc/44/10/02/1073441002.db2.gz IIOALDVQKJWLBR-UHFFFAOYSA-N 2 0 417.535 0.932 20 0 HCADRP O=C(CNS(=O)(=O)c1cccs1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000498523489 1078690382 /nfs/dbraw/zinc/69/03/82/1078690382.db2.gz RUUKJYXGZFSSBH-UHFFFAOYSA-N 2 0 423.564 0.750 20 0 HCADRP NS(=O)(=O)c1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000498524655 1078691176 /nfs/dbraw/zinc/69/11/76/1078691176.db2.gz XWKDMOVSUZJWKP-UHFFFAOYSA-N 2 0 409.537 0.733 20 0 HCADRP CN(C)S(=O)(=O)c1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000498526690 1078694091 /nfs/dbraw/zinc/69/40/91/1078694091.db2.gz WEGFZJCYMDFWJV-UHFFFAOYSA-N 2 0 421.523 0.867 20 0 HCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000498527905 1073444268 /nfs/dbraw/zinc/44/42/68/1073444268.db2.gz HHHLKRQKTJDIBP-UHFFFAOYSA-N 2 0 408.462 0.554 20 0 HCADRP O=C(CNC(=O)NCc1ccco1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000498529468 1073444966 /nfs/dbraw/zinc/44/49/66/1073444966.db2.gz ZIPXNBQZAOOJOB-UHFFFAOYSA-N 2 0 400.483 0.802 20 0 HCADRP Cn1c(=O)[nH]c(=O)c2cc(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)cnc21 ZINC000498531941 1078702548 /nfs/dbraw/zinc/70/25/48/1078702548.db2.gz OPROHORNSAZUKK-UHFFFAOYSA-N 2 0 423.477 0.371 20 0 HCADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000498833506 1078906761 /nfs/dbraw/zinc/90/67/61/1078906761.db2.gz XYQYGDSVCVAGNZ-UHFFFAOYSA-N 2 0 405.587 0.772 20 0 HCADRP CC1=CC[NH+](CCNC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000498852828 1078919615 /nfs/dbraw/zinc/91/96/15/1078919615.db2.gz IPARVSMRGGYSGU-YOFSQIOKSA-N 2 0 403.571 0.524 20 0 HCADRP CC1=CC[N@H+](CCNC(=O)C(=O)N(C)C2CC[NH+](CCn3cccn3)CC2)CC1 ZINC000498854001 1078920611 /nfs/dbraw/zinc/92/06/11/1078920611.db2.gz KVHZNSWQKXBPHN-UHFFFAOYSA-N 2 0 402.543 0.574 20 0 HCADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[C@@H](C)C1 ZINC000498898470 1078937906 /nfs/dbraw/zinc/93/79/06/1078937906.db2.gz PFWQYINFUVJWBA-DLBZAZTESA-N 2 0 411.591 0.710 20 0 HCADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[C@H](C)C1 ZINC000498898471 1078938049 /nfs/dbraw/zinc/93/80/49/1078938049.db2.gz PFWQYINFUVJWBA-IAGOWNOFSA-N 2 0 411.591 0.710 20 0 HCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[C@@H](C)C1 ZINC000498898472 1078937985 /nfs/dbraw/zinc/93/79/85/1078937985.db2.gz PFWQYINFUVJWBA-IRXDYDNUSA-N 2 0 411.591 0.710 20 0 HCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[C@H](C)C1 ZINC000498898473 1078937835 /nfs/dbraw/zinc/93/78/35/1078937835.db2.gz PFWQYINFUVJWBA-SJORKVTESA-N 2 0 411.591 0.710 20 0 HCADRP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CCN2CCC([NH+](C)C)CC2)CC1 ZINC000498934594 1078964283 /nfs/dbraw/zinc/96/42/83/1078964283.db2.gz BFTXFFADJBEHTP-UHFFFAOYSA-N 2 0 412.604 0.795 20 0 HCADRP O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000498939059 1078959780 /nfs/dbraw/zinc/95/97/80/1078959780.db2.gz NOKPGBHGNLGVPG-UHFFFAOYSA-N 2 0 422.489 0.826 20 0 HCADRP CC1=CC[NH+](CCNC(=O)C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000498942369 1078962350 /nfs/dbraw/zinc/96/23/50/1078962350.db2.gz MHPIOEBLZSYMBM-HSZRJFAPSA-N 2 0 414.550 0.850 20 0 HCADRP CC1=CC[NH+](CCNC(=O)C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000498942370 1078962262 /nfs/dbraw/zinc/96/22/62/1078962262.db2.gz MHPIOEBLZSYMBM-QHCPKHFHSA-N 2 0 414.550 0.850 20 0 HCADRP CC1=CC[NH+](CCNC(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000498943034 1078962569 /nfs/dbraw/zinc/96/25/69/1078962569.db2.gz WTQFLKGUDDJUNW-BGYRXZFFSA-N 2 0 405.587 0.772 20 0 HCADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC000498943036 1078962324 /nfs/dbraw/zinc/96/23/24/1078962324.db2.gz WTQFLKGUDDJUNW-PMACEKPBSA-N 2 0 405.587 0.772 20 0 HCADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC000498943037 1078962434 /nfs/dbraw/zinc/96/24/34/1078962434.db2.gz WTQFLKGUDDJUNW-WOJBJXKFSA-N 2 0 405.587 0.772 20 0 HCADRP CC1=CC[N@H+](CCNC(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)CC1 ZINC000498943870 1078962213 /nfs/dbraw/zinc/96/22/13/1078962213.db2.gz YKAGLYPRVZILNO-FQEVSTJZSA-N 2 0 400.523 0.638 20 0 HCADRP CC1=CC[N@H+](CCNC(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)CC1 ZINC000498943872 1078963207 /nfs/dbraw/zinc/96/32/07/1078963207.db2.gz YKAGLYPRVZILNO-HXUWFJFHSA-N 2 0 400.523 0.638 20 0 HCADRP CC1=CC[N@H+](CCNC(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC1 ZINC000498944536 1078963375 /nfs/dbraw/zinc/96/33/75/1078963375.db2.gz SFBFWYVZKDVFDA-UHFFFAOYSA-N 2 0 421.586 0.498 20 0 HCADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)CC1 ZINC000498952270 1078968961 /nfs/dbraw/zinc/96/89/61/1078968961.db2.gz SABXXYYUDWBSNZ-UHFFFAOYSA-N 2 0 414.554 0.560 20 0 HCADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000498960263 1078973094 /nfs/dbraw/zinc/97/30/94/1078973094.db2.gz QZMSPVLEIJJJLG-UHFFFAOYSA-N 2 0 405.587 0.631 20 0 HCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000499036717 1079018877 /nfs/dbraw/zinc/01/88/77/1079018877.db2.gz NSXTZSROVAMUHB-UHFFFAOYSA-N 2 0 419.526 0.478 20 0 HCADRP COC[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CCC[C@H](COC)C3)CC2)C1 ZINC000499053090 1079025288 /nfs/dbraw/zinc/02/52/88/1079025288.db2.gz HQYPMZCXQCAPFZ-BGYRXZFFSA-N 2 0 424.586 0.374 20 0 HCADRP COC[C@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CCC[C@H](COC)C3)CC2)C1 ZINC000499053091 1079025458 /nfs/dbraw/zinc/02/54/58/1079025458.db2.gz HQYPMZCXQCAPFZ-PMACEKPBSA-N 2 0 424.586 0.374 20 0 HCADRP COC[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CCC[C@@H](COC)C3)CC2)C1 ZINC000499053092 1079025339 /nfs/dbraw/zinc/02/53/39/1079025339.db2.gz HQYPMZCXQCAPFZ-WOJBJXKFSA-N 2 0 424.586 0.374 20 0 HCADRP CN(C)c1ccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000499170021 1079073814 /nfs/dbraw/zinc/07/38/14/1079073814.db2.gz OXPWWADZQSMGAJ-UHFFFAOYSA-N 2 0 411.510 0.810 20 0 HCADRP Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000499173161 1079076871 /nfs/dbraw/zinc/07/68/71/1079076871.db2.gz VQVYYGBMRMGHEK-UHFFFAOYSA-N 2 0 424.505 0.756 20 0 HCADRP NC(=O)Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000499197623 1079094226 /nfs/dbraw/zinc/09/42/26/1079094226.db2.gz YGPQXJZXHQCBLN-UHFFFAOYSA-N 2 0 424.505 0.376 20 0 HCADRP NC(=O)c1cccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000499210668 1079101099 /nfs/dbraw/zinc/10/10/99/1079101099.db2.gz GSEZZOLTGOHFNQ-UHFFFAOYSA-N 2 0 410.478 0.448 20 0 HCADRP CNC(=O)c1ccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000499211530 1079101079 /nfs/dbraw/zinc/10/10/79/1079101079.db2.gz NPPONZRZGJYCOJ-UHFFFAOYSA-N 2 0 424.505 0.708 20 0 HCADRP CNC(=O)c1cccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000499214106 1079096731 /nfs/dbraw/zinc/09/67/31/1079096731.db2.gz OVELMDQEAWLEBN-UHFFFAOYSA-N 2 0 424.505 0.708 20 0 HCADRP COCCn1cc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000499217570 1079097553 /nfs/dbraw/zinc/09/75/53/1079097553.db2.gz VOAPKZAJSQVLBN-UHFFFAOYSA-N 2 0 415.498 0.192 20 0 HCADRP CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH2+]CCOCC[NH+](C)C)CC2)cc1 ZINC000499239032 1079108610 /nfs/dbraw/zinc/10/86/10/1079108610.db2.gz DETFPRYLEFWPDB-UHFFFAOYSA-N 2 0 412.556 0.966 20 0 HCADRP CC[N@H+](CCCC1CC[NH+](CC(=O)N2CCOCC2)CC1)CC(=O)N1CCOCC1 ZINC000499253905 1079119126 /nfs/dbraw/zinc/11/91/26/1079119126.db2.gz IMYAMAISQSQQMW-UHFFFAOYSA-N 2 0 424.586 0.518 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000499518026 1080559772 /nfs/dbraw/zinc/55/97/72/1080559772.db2.gz AEYLUORSPMGIPC-KRWDZBQOSA-N 2 0 411.572 0.577 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000499518029 1080559528 /nfs/dbraw/zinc/55/95/28/1080559528.db2.gz AEYLUORSPMGIPC-QGZVFWFLSA-N 2 0 411.572 0.577 20 0 HCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000499600341 1080776912 /nfs/dbraw/zinc/77/69/12/1080776912.db2.gz NGQVNIYYKVRJLS-IBGZPJMESA-N 2 0 404.559 0.989 20 0 HCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000499600342 1080777100 /nfs/dbraw/zinc/77/71/00/1080777100.db2.gz NGQVNIYYKVRJLS-LJQANCHMSA-N 2 0 404.559 0.989 20 0 HCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000499783106 1081222834 /nfs/dbraw/zinc/22/28/34/1081222834.db2.gz RPXQXWHSUSMFRV-FQEVSTJZSA-N 2 0 405.499 0.088 20 0 HCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000499783107 1081223604 /nfs/dbraw/zinc/22/36/04/1081223604.db2.gz RPXQXWHSUSMFRV-HXUWFJFHSA-N 2 0 405.499 0.088 20 0 HCADRP Cn1c(N)c(C(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(=O)n(C)c1=O ZINC000501053455 1074622046 /nfs/dbraw/zinc/62/20/46/1074622046.db2.gz NPZKABFCTQKJPR-UHFFFAOYSA-N 2 0 400.483 0.092 20 0 HCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1Cl ZINC000504567461 1075394559 /nfs/dbraw/zinc/39/45/59/1075394559.db2.gz CVSLZJBYDFVPGZ-GOSISDBHSA-N 2 0 400.907 0.648 20 0 HCADRP CCOC(=O)C1CCN(C(=O)[C@H](C)[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)CC1 ZINC000507438892 1075790813 /nfs/dbraw/zinc/79/08/13/1075790813.db2.gz ANNGOYTYUMPGRN-INIZCTEOSA-N 2 0 410.559 0.566 20 0 HCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000507932246 1075835964 /nfs/dbraw/zinc/83/59/64/1075835964.db2.gz AMCSWAYSRWEXDL-AYHJJNSGSA-N 2 0 407.559 0.131 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000508011357 1075840640 /nfs/dbraw/zinc/84/06/40/1075840640.db2.gz AHHBDCCSCBBQTH-QGZVFWFLSA-N 2 0 407.544 0.699 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1CCN(S(=O)(=O)NC)CC1 ZINC000509068744 1081377974 /nfs/dbraw/zinc/37/79/74/1081377974.db2.gz MCHHADFENZNBAK-KRWDZBQOSA-N 2 0 403.593 0.037 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1CCN(S(=O)(=O)NC)CC1 ZINC000509068748 1081377862 /nfs/dbraw/zinc/37/78/62/1081377862.db2.gz MCHHADFENZNBAK-QGZVFWFLSA-N 2 0 403.593 0.037 20 0 HCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000509707408 1074686326 /nfs/dbraw/zinc/68/63/26/1074686326.db2.gz USJIDNXLMCLCTN-UHFFFAOYSA-N 2 0 411.591 0.088 20 0 HCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000509717632 1074692723 /nfs/dbraw/zinc/69/27/23/1074692723.db2.gz VUYXCSSABILMAW-BGYRXZFFSA-N 2 0 402.539 0.661 20 0 HCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000509722351 1079003725 /nfs/dbraw/zinc/00/37/25/1079003725.db2.gz REHDSHVJFAFCMH-HDICACEKSA-N 2 0 412.575 0.419 20 0 HCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000509722352 1079004186 /nfs/dbraw/zinc/00/41/86/1079004186.db2.gz REHDSHVJFAFCMH-QZTJIDSGSA-N 2 0 412.575 0.419 20 0 HCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000509722353 1079004300 /nfs/dbraw/zinc/00/43/00/1079004300.db2.gz REHDSHVJFAFCMH-ROUUACIJSA-N 2 0 412.575 0.419 20 0 HCADRP C[NH+](C)C1CCN(CCNC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000533978471 1074475142 /nfs/dbraw/zinc/47/51/42/1074475142.db2.gz CULBNNBLZHTPIJ-WCRBZPEASA-N 2 0 406.619 0.965 20 0 HCADRP C[NH+](C)C1CCN(CCNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000533980943 1074489503 /nfs/dbraw/zinc/48/95/03/1074489503.db2.gz CODUBFMYLALJSM-UHFFFAOYSA-N 3 0 417.602 0.919 20 0 HCADRP C[NH+](C)C1CCN(CCNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000533981086 1074494005 /nfs/dbraw/zinc/49/40/05/1074494005.db2.gz WFFCHLLTORNVLO-UHFFFAOYSA-N 2 0 403.575 0.659 20 0 HCADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000534100390 1074555496 /nfs/dbraw/zinc/55/54/96/1074555496.db2.gz GTFWGBKIJWFHPO-INIZCTEOSA-N 2 0 413.522 0.830 20 0 HCADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000534100392 1074555463 /nfs/dbraw/zinc/55/54/63/1074555463.db2.gz GTFWGBKIJWFHPO-MRXNPFEDSA-N 2 0 413.522 0.830 20 0 HCADRP C[C@H](CNC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000534109704 1074567588 /nfs/dbraw/zinc/56/75/88/1074567588.db2.gz PNTJAEPHVFNMFF-GIVPXCGWSA-N 2 0 403.571 0.805 20 0 HCADRP C[C@H](CNC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000534109707 1074567393 /nfs/dbraw/zinc/56/73/93/1074567393.db2.gz PNTJAEPHVFNMFF-HLAWJBBLSA-N 2 0 403.571 0.805 20 0 HCADRP C[C@H](CNC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000534109710 1074567515 /nfs/dbraw/zinc/56/75/15/1074567515.db2.gz PNTJAEPHVFNMFF-HMXCVIKNSA-N 2 0 403.571 0.805 20 0 HCADRP C[C@H](CNC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000534109711 1074567279 /nfs/dbraw/zinc/56/72/79/1074567279.db2.gz PNTJAEPHVFNMFF-NRSPTQNISA-N 2 0 403.571 0.805 20 0 HCADRP CN1CC[NH+](CCCCNC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534111886 1074558712 /nfs/dbraw/zinc/55/87/12/1074558712.db2.gz GMLNYPURROLWNC-LEWJYISDSA-N 2 0 403.571 0.949 20 0 HCADRP CN1CC[NH+](CCCCNC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534111887 1074558434 /nfs/dbraw/zinc/55/84/34/1074558434.db2.gz GMLNYPURROLWNC-NHCUHLMSSA-N 2 0 403.571 0.949 20 0 HCADRP CN1CC[NH+](CCCCNC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534111888 1074558770 /nfs/dbraw/zinc/55/87/70/1074558770.db2.gz GMLNYPURROLWNC-RTWAWAEBSA-N 2 0 403.571 0.949 20 0 HCADRP CN1CC[NH+](CCCCNC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534111889 1074558562 /nfs/dbraw/zinc/55/85/62/1074558562.db2.gz GMLNYPURROLWNC-SFTDATJTSA-N 2 0 403.571 0.949 20 0 HCADRP O=C(C[NH+]1CCCSCC1)N1CCN(C(=O)C[N@@H+]2CCCSCC2)CC1 ZINC000534128657 1074572440 /nfs/dbraw/zinc/57/24/40/1074572440.db2.gz NHQBJPIXCZUHPB-UHFFFAOYSA-N 2 0 400.614 0.535 20 0 HCADRP C[NH+]1CCC([C@H]2CCN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)CC1 ZINC000534412152 1074610825 /nfs/dbraw/zinc/61/08/25/1074610825.db2.gz YEWMRMOTWJVJNL-PMACEKPBSA-N 2 0 406.571 0.890 20 0 HCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)CC1 ZINC000534412155 1074610774 /nfs/dbraw/zinc/61/07/74/1074610774.db2.gz YEWMRMOTWJVJNL-UXHICEINSA-N 2 0 406.571 0.890 20 0 HCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCC1CCS(=O)(=O)CC1 ZINC000534448068 1074625096 /nfs/dbraw/zinc/62/50/96/1074625096.db2.gz MPRBDTZBHYXTEN-UHFFFAOYSA-N 2 0 409.556 0.718 20 0 HCADRP C[NH+](C)CCN1CCC(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000534477962 1074629025 /nfs/dbraw/zinc/62/90/25/1074629025.db2.gz UGZFGKHSCCCIEL-WCRBZPEASA-N 2 0 406.619 0.965 20 0 HCADRP O=C(NCCNc1cc[nH+]cc1)c1cncc(C(=O)NCCNc2cc[nH+]cc2)c1 ZINC000534522001 1074638520 /nfs/dbraw/zinc/63/85/20/1074638520.db2.gz OLCRQYJIAIFDOM-UHFFFAOYSA-N 2 0 405.462 0.399 20 0 HCADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCNc3cc[nH+]cc3)c2)CC1 ZINC000534526038 1074645773 /nfs/dbraw/zinc/64/57/73/1074645773.db2.gz KAOVOYRAMUPAQY-UHFFFAOYSA-N 2 0 424.505 0.368 20 0 HCADRP CCS(=O)(=O)N1CCC(NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC000534600578 1074659384 /nfs/dbraw/zinc/65/93/84/1074659384.db2.gz GWCYCTKFXSJGCP-UHFFFAOYSA-N 2 0 405.609 0.716 20 0 HCADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000534663820 1074671625 /nfs/dbraw/zinc/67/16/25/1074671625.db2.gz UMRVWALXXUHSMK-NRFANRHFSA-N 2 0 403.571 0.800 20 0 HCADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000534663821 1074671461 /nfs/dbraw/zinc/67/14/61/1074671461.db2.gz UMRVWALXXUHSMK-OAQYLSRUSA-N 2 0 403.571 0.800 20 0 HCADRP C[NH+](C)C1CCN(CCNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000534714663 1074695132 /nfs/dbraw/zinc/69/51/32/1074695132.db2.gz AHPOEUKIMZAAFA-UHFFFAOYSA-N 2 0 403.575 0.659 20 0 HCADRP CC(C)C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)NCC[NH+](C)C ZINC000534716554 1074696204 /nfs/dbraw/zinc/69/62/04/1074696204.db2.gz XIEVMUAFHRGMJH-HKUYNNGSSA-N 2 0 411.591 0.879 20 0 HCADRP CC(C)C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)NCC[NH+](C)C ZINC000534716586 1074696155 /nfs/dbraw/zinc/69/61/55/1074696155.db2.gz XIEVMUAFHRGMJH-MJGOQNOKSA-N 2 0 411.591 0.879 20 0 HCADRP C[NH+](C)C1CCN(CCNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534718452 1074696561 /nfs/dbraw/zinc/69/65/61/1074696561.db2.gz YYVVJIXOHGTYBH-JOCHJYFZSA-N 2 0 403.571 0.949 20 0 HCADRP C[NH+](C)C1CCN(CCNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534718453 1074696644 /nfs/dbraw/zinc/69/66/44/1074696644.db2.gz YYVVJIXOHGTYBH-QFIPXVFZSA-N 2 0 403.571 0.949 20 0 HCADRP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CC[N@@H+](CCOC)C2)C1 ZINC000534810363 1074705194 /nfs/dbraw/zinc/70/51/94/1074705194.db2.gz BMBXLLSLIKIVDR-IYWMVGAKSA-N 2 0 424.586 0.467 20 0 HCADRP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC000534810364 1074705628 /nfs/dbraw/zinc/70/56/28/1074705628.db2.gz BMBXLLSLIKIVDR-UAFMIMERSA-N 2 0 424.586 0.467 20 0 HCADRP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CC[N@@H+](CCOC)C2)C1 ZINC000534810365 1074705812 /nfs/dbraw/zinc/70/58/12/1074705812.db2.gz BMBXLLSLIKIVDR-VNTMZGSJSA-N 2 0 424.586 0.467 20 0 HCADRP C[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1)[C@H]1CCSC1 ZINC000534835431 1074713342 /nfs/dbraw/zinc/71/33/42/1074713342.db2.gz UWIXCXUTAPIJQX-HOTGVXAUSA-N 2 0 400.614 0.532 20 0 HCADRP C[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1)[C@@H]1CCSC1 ZINC000534835440 1074713007 /nfs/dbraw/zinc/71/30/07/1074713007.db2.gz UWIXCXUTAPIJQX-HZPDHXFCSA-N 2 0 400.614 0.532 20 0 HCADRP C[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1)[C@@H]1CCSC1 ZINC000534835441 1074713250 /nfs/dbraw/zinc/71/32/50/1074713250.db2.gz UWIXCXUTAPIJQX-IYBDPMFKSA-N 2 0 400.614 0.532 20 0 HCADRP C[NH+](C)CCN1CCC(NC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534847431 1074715885 /nfs/dbraw/zinc/71/58/85/1074715885.db2.gz MWVWLOZRZLRTSB-LEWJYISDSA-N 2 0 403.571 0.947 20 0 HCADRP C[NH+](C)CCN1CCC(NC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534847432 1074715792 /nfs/dbraw/zinc/71/57/92/1074715792.db2.gz MWVWLOZRZLRTSB-NHCUHLMSSA-N 2 0 403.571 0.947 20 0 HCADRP C[NH+](C)CCN1CCC(NC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534847433 1074715640 /nfs/dbraw/zinc/71/56/40/1074715640.db2.gz MWVWLOZRZLRTSB-RTWAWAEBSA-N 2 0 403.571 0.947 20 0 HCADRP C[NH+](C)CCN1CCC(NC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000534847434 1074715550 /nfs/dbraw/zinc/71/55/50/1074715550.db2.gz MWVWLOZRZLRTSB-SFTDATJTSA-N 2 0 403.571 0.947 20 0 HCADRP C[NH+]1CCC([C@@H]2CC[N@@H+]([C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)C2)CC1 ZINC000535133581 1074757647 /nfs/dbraw/zinc/75/76/47/1074757647.db2.gz JXSKXSYTCOWQQH-CRAIPNDOSA-N 2 0 420.535 0.630 20 0 HCADRP C[NH+]1CCC([C@H]2CC[N@@H+]([C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)C2)CC1 ZINC000535133589 1074757550 /nfs/dbraw/zinc/75/75/50/1074757550.db2.gz JXSKXSYTCOWQQH-MAUKXSAKSA-N 2 0 420.535 0.630 20 0 HCADRP C[NH+]1CCC([C@@H]2CC[N@@H+]([C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)C2)CC1 ZINC000535133593 1074757585 /nfs/dbraw/zinc/75/75/85/1074757585.db2.gz JXSKXSYTCOWQQH-QAPCUYQASA-N 2 0 420.535 0.630 20 0 HCADRP C[NH+]1CCC([C@H]2CC[N@@H+]([C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)C2)CC1 ZINC000535134051 1074757671 /nfs/dbraw/zinc/75/76/71/1074757671.db2.gz JXSKXSYTCOWQQH-YJBOKZPZSA-N 2 0 420.535 0.630 20 0 HCADRP CN(C)S(=O)(=O)c1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)co1 ZINC000535161268 1074760816 /nfs/dbraw/zinc/76/08/16/1074760816.db2.gz ILURZETUWLNHCN-UHFFFAOYSA-N 2 0 421.523 0.867 20 0 HCADRP C[C@@H](CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C[NH+]1CCN(C)CC1 ZINC000535191044 1074763476 /nfs/dbraw/zinc/76/34/76/1074763476.db2.gz KQXRLWBXHBJFTP-CBQMWWCCSA-N 2 0 406.619 0.822 20 0 HCADRP C[C@H](CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C[NH+]1CCN(C)CC1 ZINC000535191058 1074763608 /nfs/dbraw/zinc/76/36/08/1074763608.db2.gz KQXRLWBXHBJFTP-MQEZQYLSSA-N 2 0 406.619 0.822 20 0 HCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[NH+]4C)CC2)C1 ZINC000535307860 1074783824 /nfs/dbraw/zinc/78/38/24/1074783824.db2.gz JKYTYSQPKASMMR-IUPYZPJSSA-N 2 0 421.630 0.702 20 0 HCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[NH+]4C)CC2)C1 ZINC000535307872 1074783950 /nfs/dbraw/zinc/78/39/50/1074783950.db2.gz JKYTYSQPKASMMR-PJEZACDQSA-N 2 0 421.630 0.702 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CCN(S(=O)(=O)CC)CC1 ZINC000535330185 1074785958 /nfs/dbraw/zinc/78/59/58/1074785958.db2.gz NHWXNMWKOWZABW-GOSISDBHSA-N 2 0 417.620 0.858 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CCN(S(=O)(=O)CC)CC1 ZINC000535330192 1074786035 /nfs/dbraw/zinc/78/60/35/1074786035.db2.gz NHWXNMWKOWZABW-SFHVURJKSA-N 2 0 417.620 0.858 20 0 HCADRP OCCC[NH+]1CCN(c2nc3ccccc3c(N3CC[NH+](CCCO)CC3)n2)CC1 ZINC000535331048 1074786284 /nfs/dbraw/zinc/78/62/84/1074786284.db2.gz BCXVVRHSQATQFY-UHFFFAOYSA-N 2 0 414.554 0.639 20 0 HCADRP CC[NH+]1CCN(c2ccc(C(=O)NCCCC[NH+]3CCN(CCO)CC3)cc2)CC1 ZINC000535380436 1074797067 /nfs/dbraw/zinc/79/70/67/1074797067.db2.gz OHWLOAOPJSYXAV-UHFFFAOYSA-N 2 0 417.598 0.948 20 0 HCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000535429480 1074804620 /nfs/dbraw/zinc/80/46/20/1074804620.db2.gz GDKHOYDFDLSSHL-UHFFFAOYSA-N 2 0 418.586 0.803 20 0 HCADRP C[NH+](C)C1CCN(CCNC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC1 ZINC000535430343 1074804189 /nfs/dbraw/zinc/80/41/89/1074804189.db2.gz CIOSHGDFKCSCDK-UHFFFAOYSA-N 2 0 424.634 0.938 20 0 HCADRP CC(C)C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(=O)NCC[NH+](C)C ZINC000535430843 1074804660 /nfs/dbraw/zinc/80/46/60/1074804660.db2.gz DFGFYLRUOIGBQU-FHWLQOOXSA-N 2 0 411.591 0.756 20 0 HCADRP CC(C)C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(=O)NCC[NH+](C)C ZINC000535430844 1074804658 /nfs/dbraw/zinc/80/46/58/1074804658.db2.gz DFGFYLRUOIGBQU-GBESFXJTSA-N 2 0 411.591 0.756 20 0 HCADRP CC(C)C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)NCC[NH+](C)C ZINC000535430845 1074804631 /nfs/dbraw/zinc/80/46/31/1074804631.db2.gz DFGFYLRUOIGBQU-IPMKNSEASA-N 2 0 411.591 0.756 20 0 HCADRP CC(C)C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)NCC[NH+](C)C ZINC000535430846 1074804605 /nfs/dbraw/zinc/80/46/05/1074804605.db2.gz DFGFYLRUOIGBQU-OTWHNJEPSA-N 2 0 411.591 0.756 20 0 HCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC[C@@H]2C[C@H](O)C[NH+]2Cc2ccccc2)C1 ZINC000535559786 1074821626 /nfs/dbraw/zinc/82/16/26/1074821626.db2.gz VTBFUECNYSOYIX-AABGKKOBSA-N 2 0 417.554 0.508 20 0 HCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC[C@H]2C[C@H](O)C[NH+]2Cc2ccccc2)C1 ZINC000535559787 1074821843 /nfs/dbraw/zinc/82/18/43/1074821843.db2.gz VTBFUECNYSOYIX-AQNXPRMDSA-N 2 0 417.554 0.508 20 0 HCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC[C@@H]2C[C@@H](O)C[NH+]2Cc2ccccc2)C1 ZINC000535559788 1074821740 /nfs/dbraw/zinc/82/17/40/1074821740.db2.gz VTBFUECNYSOYIX-HSALFYBXSA-N 2 0 417.554 0.508 20 0 HCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC[C@H]2C[C@@H](O)C[NH+]2Cc2ccccc2)C1 ZINC000535559789 1074821877 /nfs/dbraw/zinc/82/18/77/1074821877.db2.gz VTBFUECNYSOYIX-VAMGGRTRSA-N 2 0 417.554 0.508 20 0 HCADRP O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000535571549 1075095612 /nfs/dbraw/zinc/09/56/12/1075095612.db2.gz OWKKUTQOYOQYAO-MOPGFXCFSA-N 2 0 420.473 0.957 20 0 HCADRP O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000535571550 1075095621 /nfs/dbraw/zinc/09/56/21/1075095621.db2.gz OWKKUTQOYOQYAO-OALUTQOASA-N 2 0 420.473 0.957 20 0 HCADRP O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000535571551 1075095590 /nfs/dbraw/zinc/09/55/90/1075095590.db2.gz OWKKUTQOYOQYAO-RBUKOAKNSA-N 2 0 420.473 0.957 20 0 HCADRP O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000535571552 1075095539 /nfs/dbraw/zinc/09/55/39/1075095539.db2.gz OWKKUTQOYOQYAO-RTBURBONSA-N 2 0 420.473 0.957 20 0 HCADRP C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCC3=CC[N@H+](C)CC3)ccc2oc1=O ZINC000539465274 1075333733 /nfs/dbraw/zinc/33/37/33/1075333733.db2.gz FWTLCYVSWRHALJ-UHFFFAOYSA-N 2 0 401.467 0.473 20 0 HCADRP C[C@@H](CNC(=O)C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1)C[NH+]1CCCC1 ZINC000539484656 1075339789 /nfs/dbraw/zinc/33/97/89/1075339789.db2.gz GJUGGNQXAHYZLB-INIZCTEOSA-N 2 0 416.526 0.256 20 0 HCADRP C[C@H](CNC(=O)C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1)C[NH+]1CCCC1 ZINC000539484657 1075339642 /nfs/dbraw/zinc/33/96/42/1075339642.db2.gz GJUGGNQXAHYZLB-MRXNPFEDSA-N 2 0 416.526 0.256 20 0 HCADRP NS(=O)(=O)c1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000539517988 1075358918 /nfs/dbraw/zinc/35/89/18/1075358918.db2.gz UXDDLSUEPABIHV-UHFFFAOYSA-N 2 0 403.508 0.671 20 0 HCADRP COC(=O)C1(O)CC[NH+](Cc2ccc(C[NH+]3CCC(O)(C(=O)OC)CC3)cc2)CC1 ZINC000539887838 1075503046 /nfs/dbraw/zinc/50/30/46/1075503046.db2.gz AJRPFJLFJGFEMQ-UHFFFAOYSA-N 2 0 420.506 0.686 20 0 HCADRP CCNS(=O)(=O)[C@@H]1CC[NH+](CCCCC[N@H+]2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000540008813 1075536248 /nfs/dbraw/zinc/53/62/48/1075536248.db2.gz VWZPLHMTKLYFKU-CALCHBBNSA-N 2 0 424.633 0.184 20 0 HCADRP CCNS(=O)(=O)[C@@H]1CC[NH+](CCCCC[N@H+]2CC[C@@H](S(=O)(=O)NCC)C2)C1 ZINC000540008817 1075536180 /nfs/dbraw/zinc/53/61/80/1075536180.db2.gz VWZPLHMTKLYFKU-IAGOWNOFSA-N 2 0 424.633 0.184 20 0 HCADRP CCNS(=O)(=O)[C@H]1CC[NH+](CCCCC[N@H+]2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000540008819 1075536270 /nfs/dbraw/zinc/53/62/70/1075536270.db2.gz VWZPLHMTKLYFKU-IRXDYDNUSA-N 2 0 424.633 0.184 20 0 HCADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540080627 1075559330 /nfs/dbraw/zinc/55/93/30/1075559330.db2.gz VXTWRTHWCLQCCZ-UHFFFAOYSA-N 2 0 418.586 0.987 20 0 HCADRP Cc1ccn(C)c(=O)c1NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000540271767 1075605183 /nfs/dbraw/zinc/60/51/83/1075605183.db2.gz YUXNPQRKGDNEPL-UHFFFAOYSA-N 2 0 412.494 0.356 20 0 HCADRP COC(=O)CCN1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)[C@@H](C)C1 ZINC000540349440 1075632453 /nfs/dbraw/zinc/63/24/53/1075632453.db2.gz PUEVPIZHPMYEJO-KRWDZBQOSA-N 2 0 418.542 0.612 20 0 HCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000540372488 1075640094 /nfs/dbraw/zinc/64/00/94/1075640094.db2.gz OEZUHNIWQFZRNT-GOSISDBHSA-N 2 0 420.558 0.687 20 0 HCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000540372492 1075640131 /nfs/dbraw/zinc/64/01/31/1075640131.db2.gz OEZUHNIWQFZRNT-SFHVURJKSA-N 2 0 420.558 0.687 20 0 HCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000540382338 1075656536 /nfs/dbraw/zinc/65/65/36/1075656536.db2.gz JKNVZSQGNHFNDL-UHFFFAOYSA-N 2 0 406.531 0.707 20 0 HCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NC[C@H](C)N2CC[NH+](CC)CC2)CC1 ZINC000540383071 1075646531 /nfs/dbraw/zinc/64/65/31/1075646531.db2.gz JMEVTFLAWLWROQ-KRWDZBQOSA-N 2 0 419.574 0.621 20 0 HCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NC[C@@H](C)N2CC[NH+](CC)CC2)CC1 ZINC000540383074 1075646497 /nfs/dbraw/zinc/64/64/97/1075646497.db2.gz JMEVTFLAWLWROQ-QGZVFWFLSA-N 2 0 419.574 0.621 20 0 HCADRP C[N@H+]1CC=C(CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[NH+](C)CC2)CC1 ZINC000540562731 1075717123 /nfs/dbraw/zinc/71/71/23/1075717123.db2.gz DKXLMBKCNHPGFB-UHFFFAOYSA-N 2 0 413.522 0.781 20 0 HCADRP C[C@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000540661020 1075755695 /nfs/dbraw/zinc/75/56/95/1075755695.db2.gz CNSCHHKSXMORBP-INIZCTEOSA-N 2 0 412.556 0.426 20 0 HCADRP C[C@@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000540661022 1075755644 /nfs/dbraw/zinc/75/56/44/1075755644.db2.gz CNSCHHKSXMORBP-MRXNPFEDSA-N 2 0 412.556 0.426 20 0 HCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000540983984 1075819184 /nfs/dbraw/zinc/81/91/84/1075819184.db2.gz PKPCODYFRMSDQH-GOSISDBHSA-N 2 0 402.605 0.923 20 0 HCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000540983985 1075819207 /nfs/dbraw/zinc/81/92/07/1075819207.db2.gz PKPCODYFRMSDQH-SFHVURJKSA-N 2 0 402.605 0.923 20 0 HCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000540986678 1075819799 /nfs/dbraw/zinc/81/97/99/1075819799.db2.gz BHEWBLQVNCWNLB-MOPGFXCFSA-N 2 0 403.527 0.392 20 0 HCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000540986683 1075819845 /nfs/dbraw/zinc/81/98/45/1075819845.db2.gz BHEWBLQVNCWNLB-OALUTQOASA-N 2 0 403.527 0.392 20 0 HCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000540986684 1075819830 /nfs/dbraw/zinc/81/98/30/1075819830.db2.gz BHEWBLQVNCWNLB-RBUKOAKNSA-N 2 0 403.527 0.392 20 0 HCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000540986685 1075819749 /nfs/dbraw/zinc/81/97/49/1075819749.db2.gz BHEWBLQVNCWNLB-RTBURBONSA-N 2 0 403.527 0.392 20 0 HCADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000541377978 1075882732 /nfs/dbraw/zinc/88/27/32/1075882732.db2.gz QESPEXUQTBNHCO-UHFFFAOYSA-N 2 0 420.539 0.707 20 0 HCADRP C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)[C@H]2CCCOC2)CC1)[C@@H]1CCCOC1 ZINC000542576629 1077957320 /nfs/dbraw/zinc/95/73/20/1077957320.db2.gz WPMMKQQFTBPXTE-FGYAAKKASA-N 2 0 424.586 0.467 20 0 HCADRP C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)[C@@H]2CCCOC2)CC1)[C@@H]1CCCOC1 ZINC000542576632 1077957356 /nfs/dbraw/zinc/95/73/56/1077957356.db2.gz WPMMKQQFTBPXTE-IYWMVGAKSA-N 2 0 424.586 0.467 20 0 HCADRP C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)[C@@H]2CCCOC2)CC1)[C@H]1CCCOC1 ZINC000542576633 1077957307 /nfs/dbraw/zinc/95/73/07/1077957307.db2.gz WPMMKQQFTBPXTE-JVSBHGNQSA-N 2 0 424.586 0.467 20 0 HCADRP C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)[C@H]2CCCOC2)CC1)[C@H]1CCCOC1 ZINC000542576635 1077957417 /nfs/dbraw/zinc/95/74/17/1077957417.db2.gz WPMMKQQFTBPXTE-YRPNKDGESA-N 2 0 424.586 0.467 20 0 HCADRP CN1CC[NH+](CC2(C)CCN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2)CC1 ZINC000542755105 1080270474 /nfs/dbraw/zinc/27/04/74/1080270474.db2.gz OHCMERDPICNKPL-IBGZPJMESA-N 2 0 422.618 0.633 20 0 HCADRP CN1CC[NH+](CC2(C)CCN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)CC1 ZINC000542755111 1080270491 /nfs/dbraw/zinc/27/04/91/1080270491.db2.gz OHCMERDPICNKPL-LJQANCHMSA-N 2 0 422.618 0.633 20 0 HCADRP C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C[NH+]1CCN(C)CC1 ZINC000542850491 1080356595 /nfs/dbraw/zinc/35/65/95/1080356595.db2.gz PITRBRWFFAXPEL-GHTZIAJQSA-N 2 0 403.571 0.936 20 0 HCADRP C[C@H](CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C[NH+]1CCN(C)CC1 ZINC000542850492 1080356759 /nfs/dbraw/zinc/35/67/59/1080356759.db2.gz PITRBRWFFAXPEL-NQIIRXRSSA-N 2 0 403.571 0.936 20 0 HCADRP C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C[NH+]1CCN(C)CC1 ZINC000542850493 1080356929 /nfs/dbraw/zinc/35/69/29/1080356929.db2.gz PITRBRWFFAXPEL-RXVVDRJESA-N 2 0 403.571 0.936 20 0 HCADRP C[C@H](CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C[NH+]1CCN(C)CC1 ZINC000542850494 1080356880 /nfs/dbraw/zinc/35/68/80/1080356880.db2.gz PITRBRWFFAXPEL-WIYYLYMNSA-N 2 0 403.571 0.936 20 0 HCADRP CN(C)C(=O)CCN1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000542852065 1080358245 /nfs/dbraw/zinc/35/82/45/1080358245.db2.gz PJRAQBKLWJSUAG-FQEVSTJZSA-N 2 0 417.554 0.559 20 0 HCADRP CN(C)C(=O)CCN1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000542852066 1080358323 /nfs/dbraw/zinc/35/83/23/1080358323.db2.gz PJRAQBKLWJSUAG-HXUWFJFHSA-N 2 0 417.554 0.559 20 0 HCADRP CS[C@@H]1CN(CC2(C[N@H+]3C[C@@H](N(C)C)[C@@H](SC)C3)COC2)C[C@@H]1[NH+](C)C ZINC000542970875 1080592073 /nfs/dbraw/zinc/59/20/73/1080592073.db2.gz NZOZANJVMAIZNR-FZDBZEDMSA-N 2 0 402.674 0.958 20 0 HCADRP CS[C@@H]1CN(CC2(C[N@H+]3C[C@@H](N(C)C)[C@@H](SC)C3)COC2)C[C@H]1[NH+](C)C ZINC000542970876 1080592142 /nfs/dbraw/zinc/59/21/42/1080592142.db2.gz NZOZANJVMAIZNR-TVFCKZIOSA-N 2 0 402.674 0.958 20 0 HCADRP CS[C@@H]1CN(CC2(C[N@@H+]3C[C@H](SC)[C@@H](N(C)C)C3)COC2)C[C@H]1[NH+](C)C ZINC000542970877 1080592241 /nfs/dbraw/zinc/59/22/41/1080592241.db2.gz NZOZANJVMAIZNR-USTZCAOPSA-N 2 0 402.674 0.958 20 0 HCADRP CS[C@@H]1CN(CC2(C[N@@H+]3C[C@H](SC)[C@@H](N(C)C)C3)COC2)C[C@@H]1[NH+](C)C ZINC000542970878 1080592039 /nfs/dbraw/zinc/59/20/39/1080592039.db2.gz NZOZANJVMAIZNR-XLAORIBOSA-N 2 0 402.674 0.958 20 0 HCADRP CC(C)(C)n1cnc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000543260307 1081073114 /nfs/dbraw/zinc/07/31/14/1081073114.db2.gz KKAPFNXCNLKBOO-UHFFFAOYSA-N 2 0 414.514 0.695 20 0 HCADRP O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000543297113 1081097897 /nfs/dbraw/zinc/09/78/97/1081097897.db2.gz LAEQZWMJSBCQNJ-FQEVSTJZSA-N 2 0 402.539 0.979 20 0 HCADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000543297116 1081097780 /nfs/dbraw/zinc/09/77/80/1081097780.db2.gz LAEQZWMJSBCQNJ-HXUWFJFHSA-N 2 0 402.539 0.979 20 0 HCADRP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)N3CCN(C(=O)C4CC4)CC3)CC2)CC1 ZINC000544491673 1075885190 /nfs/dbraw/zinc/88/51/90/1075885190.db2.gz SSRVDUOYYKELIW-UHFFFAOYSA-N 2 0 405.587 0.417 20 0 HCADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N(C)CC[N@H+](C)C3CC3)cn2)CC1 ZINC000556052130 1078395544 /nfs/dbraw/zinc/39/55/44/1078395544.db2.gz DZZBDRFFCVBQJW-UHFFFAOYSA-N 2 0 402.543 0.392 20 0 HCADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC[N@H+](CC)CC3)cn2)CC1 ZINC000556052356 1078395620 /nfs/dbraw/zinc/39/56/20/1078395620.db2.gz GROQBYKREKIBIQ-UHFFFAOYSA-N 2 0 402.543 0.394 20 0 HCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000556055116 1078397486 /nfs/dbraw/zinc/39/74/86/1078397486.db2.gz LMYDNOKLNIWZIH-UHFFFAOYSA-N 2 0 404.559 0.640 20 0 HCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000556064932 1078404694 /nfs/dbraw/zinc/40/46/94/1078404694.db2.gz RZVSFLSYHJUKHC-BGYRXZFFSA-N 2 0 407.603 0.852 20 0 HCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000556064935 1078404713 /nfs/dbraw/zinc/40/47/13/1078404713.db2.gz RZVSFLSYHJUKHC-PMACEKPBSA-N 2 0 407.603 0.852 20 0 HCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000556064937 1078404623 /nfs/dbraw/zinc/40/46/23/1078404623.db2.gz RZVSFLSYHJUKHC-WOJBJXKFSA-N 2 0 407.603 0.852 20 0 HCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)C2)CC1 ZINC000556069719 1078402662 /nfs/dbraw/zinc/40/26/62/1078402662.db2.gz FAMUQQTYVVMGHH-PMACEKPBSA-N 2 0 419.545 0.783 20 0 HCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)C2)CC1 ZINC000556069724 1078402697 /nfs/dbraw/zinc/40/26/97/1078402697.db2.gz FAMUQQTYVVMGHH-UXHICEINSA-N 2 0 419.545 0.783 20 0 HCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@H](c3ccc(F)cc3)[NH+](C)C)C2)CC1 ZINC000556069726 1078402633 /nfs/dbraw/zinc/40/26/33/1078402633.db2.gz FAMUQQTYVVMGHH-VQTJNVASSA-N 2 0 419.545 0.783 20 0 HCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@H](c3ccc(F)cc3)[NH+](C)C)C2)CC1 ZINC000556069728 1078402610 /nfs/dbraw/zinc/40/26/10/1078402610.db2.gz FAMUQQTYVVMGHH-WOJBJXKFSA-N 2 0 419.545 0.783 20 0 HCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000556070620 1078405828 /nfs/dbraw/zinc/40/58/28/1078405828.db2.gz KNFYFDVMEJNQQT-GOSISDBHSA-N 2 0 407.534 0.687 20 0 HCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000556070625 1078405865 /nfs/dbraw/zinc/40/58/65/1078405865.db2.gz KNFYFDVMEJNQQT-SFHVURJKSA-N 2 0 407.534 0.687 20 0 HCADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCC3CC[NH+](C)CC3)cn2)CC1 ZINC000556075814 1078410993 /nfs/dbraw/zinc/41/09/93/1078410993.db2.gz KNYQSVZIJKRLPH-UHFFFAOYSA-N 2 0 416.570 0.688 20 0 HCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC[N@@H+]1C ZINC000556100301 1078434074 /nfs/dbraw/zinc/43/40/74/1078434074.db2.gz CWYYTAUUMIUTQL-HOJAQTOUSA-N 2 0 401.555 0.690 20 0 HCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC[N@@H+]1C ZINC000556100306 1078434061 /nfs/dbraw/zinc/43/40/61/1078434061.db2.gz CWYYTAUUMIUTQL-MISYRCLQSA-N 2 0 401.555 0.690 20 0 HCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC[N@@H+]1C ZINC000556100308 1078434053 /nfs/dbraw/zinc/43/40/53/1078434053.db2.gz CWYYTAUUMIUTQL-RLLQIKCJSA-N 2 0 401.555 0.690 20 0 HCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC[N@@H+]1C ZINC000556100310 1078433945 /nfs/dbraw/zinc/43/39/45/1078433945.db2.gz CWYYTAUUMIUTQL-YZGWKJHDSA-N 2 0 401.555 0.690 20 0 HCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100799 1078433465 /nfs/dbraw/zinc/43/34/65/1078433465.db2.gz IXKSVHVFTJJKTJ-CTNGQTDRSA-N 2 0 415.582 0.892 20 0 HCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100800 1078433601 /nfs/dbraw/zinc/43/36/01/1078433601.db2.gz IXKSVHVFTJJKTJ-FPOVZHCZSA-N 2 0 415.582 0.892 20 0 HCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100801 1078433481 /nfs/dbraw/zinc/43/34/81/1078433481.db2.gz IXKSVHVFTJJKTJ-PZJWPPBQSA-N 2 0 415.582 0.892 20 0 HCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100802 1078433460 /nfs/dbraw/zinc/43/34/60/1078433460.db2.gz IXKSVHVFTJJKTJ-TZIWHRDSSA-N 2 0 415.582 0.892 20 0 HCADRP C[NH+]1CCN(C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)CC1 ZINC000556100970 1078434962 /nfs/dbraw/zinc/43/49/62/1078434962.db2.gz PNEGUYOXOBGTJN-GHTZIAJQSA-N 2 0 413.566 0.692 20 0 HCADRP C[NH+]1CCN(C[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)CC1 ZINC000556100972 1078434844 /nfs/dbraw/zinc/43/48/44/1078434844.db2.gz PNEGUYOXOBGTJN-NQIIRXRSSA-N 2 0 413.566 0.692 20 0 HCADRP C[NH+]1CCN(C[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)CC1 ZINC000556100974 1078434903 /nfs/dbraw/zinc/43/49/03/1078434903.db2.gz PNEGUYOXOBGTJN-RXVVDRJESA-N 2 0 413.566 0.692 20 0 HCADRP C[NH+]1CCN(C[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)CC1 ZINC000556100976 1078434884 /nfs/dbraw/zinc/43/48/84/1078434884.db2.gz PNEGUYOXOBGTJN-WIYYLYMNSA-N 2 0 413.566 0.692 20 0 HCADRP CN(C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000556101772 1078435341 /nfs/dbraw/zinc/43/53/41/1078435341.db2.gz XLNIISHOZFFOLR-LEWJYISDSA-N 2 0 413.566 0.786 20 0 HCADRP CN(C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000556101773 1078435435 /nfs/dbraw/zinc/43/54/35/1078435435.db2.gz XLNIISHOZFFOLR-NHCUHLMSSA-N 2 0 413.566 0.786 20 0 HCADRP CN(C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000556101774 1078435498 /nfs/dbraw/zinc/43/54/98/1078435498.db2.gz XLNIISHOZFFOLR-RTWAWAEBSA-N 2 0 413.566 0.786 20 0 HCADRP CN(C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000556101775 1078435249 /nfs/dbraw/zinc/43/52/49/1078435249.db2.gz XLNIISHOZFFOLR-SFTDATJTSA-N 2 0 413.566 0.786 20 0 HCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000556114848 1078438181 /nfs/dbraw/zinc/43/81/81/1078438181.db2.gz MHQINJSMFQWVLP-UHFFFAOYSA-N 2 0 401.555 0.868 20 0 HCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000556116593 1078451712 /nfs/dbraw/zinc/45/17/12/1078451712.db2.gz WCQILUMWDRPURI-FQEVSTJZSA-N 2 0 401.555 0.868 20 0 HCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000556116594 1078451767 /nfs/dbraw/zinc/45/17/67/1078451767.db2.gz WCQILUMWDRPURI-HXUWFJFHSA-N 2 0 401.555 0.868 20 0 HCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000556117100 1078451786 /nfs/dbraw/zinc/45/17/86/1078451786.db2.gz KSRWXUNQANPBQU-IBGZPJMESA-N 2 0 401.555 0.868 20 0 HCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000556117101 1078451643 /nfs/dbraw/zinc/45/16/43/1078451643.db2.gz KSRWXUNQANPBQU-LJQANCHMSA-N 2 0 401.555 0.868 20 0 HCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000556121938 1078453672 /nfs/dbraw/zinc/45/36/72/1078453672.db2.gz PUMKVTMJQCTPEV-JSXRDJHFSA-N 2 0 421.630 0.955 20 0 HCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000556121939 1078453632 /nfs/dbraw/zinc/45/36/32/1078453632.db2.gz PUMKVTMJQCTPEV-MHTWAQMVSA-N 2 0 421.630 0.955 20 0 HCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000556121940 1078453655 /nfs/dbraw/zinc/45/36/55/1078453655.db2.gz PUMKVTMJQCTPEV-PLACYPQZSA-N 2 0 421.630 0.955 20 0 HCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000556121941 1078453699 /nfs/dbraw/zinc/45/36/99/1078453699.db2.gz PUMKVTMJQCTPEV-WOZUAGRISA-N 2 0 421.630 0.955 20 0 HCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCC[N@H+](C)C3CCCCC3)C2)CC1 ZINC000556122290 1078448098 /nfs/dbraw/zinc/44/80/98/1078448098.db2.gz BAUPXQKQMJYLKL-FQEVSTJZSA-N 2 0 407.603 0.996 20 0 HCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCC[N@H+](C)C3CCCCC3)C2)CC1 ZINC000556122291 1078447951 /nfs/dbraw/zinc/44/79/51/1078447951.db2.gz BAUPXQKQMJYLKL-HXUWFJFHSA-N 2 0 407.603 0.996 20 0 HCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCCC[NH+]2CCc3ccccc3C2)CC1 ZINC000556122411 1078447740 /nfs/dbraw/zinc/44/77/40/1078447740.db2.gz FKIHRCDDMUEWRF-UHFFFAOYSA-N 2 0 416.566 0.856 20 0 HCADRP CN1CC[NH+](CCCCNC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000556124351 1078448765 /nfs/dbraw/zinc/44/87/65/1078448765.db2.gz DLQKJRWVHAZYAH-UHFFFAOYSA-N 2 0 415.582 0.695 20 0 HCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000556124396 1078448782 /nfs/dbraw/zinc/44/87/82/1078448782.db2.gz FKOXZHHGFBSORB-UHFFFAOYSA-N 2 0 423.602 0.816 20 0 HCADRP C[N@H+](CCCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000556124897 1078448671 /nfs/dbraw/zinc/44/86/71/1078448671.db2.gz KLSUJBGDLINJCI-UHFFFAOYSA-N 2 0 421.586 0.524 20 0 HCADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000556167753 1078471194 /nfs/dbraw/zinc/47/11/94/1078471194.db2.gz SVUCOZQTUUBNKF-NRFANRHFSA-N 2 0 415.582 0.911 20 0 HCADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000556167754 1078471128 /nfs/dbraw/zinc/47/11/28/1078471128.db2.gz SVUCOZQTUUBNKF-OAQYLSRUSA-N 2 0 415.582 0.911 20 0 HCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000556168303 1078473101 /nfs/dbraw/zinc/47/31/01/1078473101.db2.gz LDCYTHGGBAWDQD-FQEVSTJZSA-N 2 0 407.603 0.997 20 0 HCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000556168304 1078473066 /nfs/dbraw/zinc/47/30/66/1078473066.db2.gz LDCYTHGGBAWDQD-HXUWFJFHSA-N 2 0 407.603 0.997 20 0 HCADRP CN1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000556168452 1078472550 /nfs/dbraw/zinc/47/25/50/1078472550.db2.gz PHHAEETYLIMCSX-NRFANRHFSA-N 2 0 415.582 0.911 20 0 HCADRP CN1CC[NH+](CCCCNC(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000556168453 1078472434 /nfs/dbraw/zinc/47/24/34/1078472434.db2.gz PHHAEETYLIMCSX-OAQYLSRUSA-N 2 0 415.582 0.911 20 0 HCADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000556170082 1078473035 /nfs/dbraw/zinc/47/30/35/1078473035.db2.gz GEKAICXSDSGKIS-IBGZPJMESA-N 2 0 421.586 0.381 20 0 HCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000556170083 1078472851 /nfs/dbraw/zinc/47/28/51/1078472851.db2.gz GEKAICXSDSGKIS-LJQANCHMSA-N 2 0 421.586 0.381 20 0 HCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000556170544 1078478005 /nfs/dbraw/zinc/47/80/05/1078478005.db2.gz MLRMJSZMGSHDMR-AZUAARDMSA-N 2 0 402.539 0.994 20 0 HCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000556170545 1078477873 /nfs/dbraw/zinc/47/78/73/1078477873.db2.gz MLRMJSZMGSHDMR-ICSRJNTNSA-N 2 0 402.539 0.994 20 0 HCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000556170546 1078477981 /nfs/dbraw/zinc/47/79/81/1078477981.db2.gz MLRMJSZMGSHDMR-QUCCMNQESA-N 2 0 402.539 0.994 20 0 HCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000556170547 1078478117 /nfs/dbraw/zinc/47/81/17/1078478117.db2.gz MLRMJSZMGSHDMR-UYAOXDASSA-N 2 0 402.539 0.994 20 0 HCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000556171404 1078479508 /nfs/dbraw/zinc/47/95/08/1078479508.db2.gz PPQXNDNWIYTLKZ-GOSISDBHSA-N 2 0 423.602 0.674 20 0 HCADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000556171405 1078479315 /nfs/dbraw/zinc/47/93/15/1078479315.db2.gz PPQXNDNWIYTLKZ-SFHVURJKSA-N 2 0 423.602 0.674 20 0 HCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000556171711 1078479447 /nfs/dbraw/zinc/47/94/47/1078479447.db2.gz RMNQIUQRAZKUOP-UHFFFAOYSA-N 2 0 423.602 0.282 20 0 HCADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000556171883 1078479241 /nfs/dbraw/zinc/47/92/41/1078479241.db2.gz WAAYHWHCIYCJTJ-UHFFFAOYSA-N 2 0 403.527 0.643 20 0 HCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000556172161 1078480166 /nfs/dbraw/zinc/48/01/66/1078480166.db2.gz IQJVIKQXIDJPQO-GOSISDBHSA-N 2 0 417.554 0.952 20 0 HCADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000556172163 1078480014 /nfs/dbraw/zinc/48/00/14/1078480014.db2.gz IQJVIKQXIDJPQO-SFHVURJKSA-N 2 0 417.554 0.952 20 0 HCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000556175171 1078484614 /nfs/dbraw/zinc/48/46/14/1078484614.db2.gz LGYFXHNNZVCLPY-FQEVSTJZSA-N 2 0 407.603 0.997 20 0 HCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000556175172 1078484763 /nfs/dbraw/zinc/48/47/63/1078484763.db2.gz LGYFXHNNZVCLPY-HXUWFJFHSA-N 2 0 407.603 0.997 20 0 HCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000556200577 1078525192 /nfs/dbraw/zinc/52/51/92/1078525192.db2.gz GDBUGCDMPSUCCH-FQEVSTJZSA-N 2 0 408.568 0.797 20 0 HCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000556200580 1078525292 /nfs/dbraw/zinc/52/52/92/1078525292.db2.gz GDBUGCDMPSUCCH-HXUWFJFHSA-N 2 0 408.568 0.797 20 0 HCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CCSC1 ZINC000556202950 1078526828 /nfs/dbraw/zinc/52/68/28/1078526828.db2.gz YPRZIWSKEZZFEB-FQEVSTJZSA-N 2 0 420.583 0.003 20 0 HCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CCSC1 ZINC000556202954 1078526692 /nfs/dbraw/zinc/52/66/92/1078526692.db2.gz YPRZIWSKEZZFEB-HXUWFJFHSA-N 2 0 420.583 0.003 20 0 HCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1ccc2c(c1)CCO2 ZINC000556204424 1078517590 /nfs/dbraw/zinc/51/75/90/1078517590.db2.gz LWFGUVIQDQGUGJ-UHFFFAOYSA-N 2 0 423.517 0.961 20 0 HCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000556205106 1078529307 /nfs/dbraw/zinc/52/93/07/1078529307.db2.gz GDWWAKZRWLNRMR-FQEVSTJZSA-N 2 0 408.568 0.797 20 0 HCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000556205108 1078529164 /nfs/dbraw/zinc/52/91/64/1078529164.db2.gz GDWWAKZRWLNRMR-HXUWFJFHSA-N 2 0 408.568 0.797 20 0 HCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@]3([NH+](C)C)CCSC3)C2)CC1 ZINC000556205523 1078519583 /nfs/dbraw/zinc/51/95/83/1078519583.db2.gz DCNNWRCHDMPHSE-FXAWDEMLSA-N 2 0 411.616 0.167 20 0 HCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@@]3([NH+](C)C)CCSC3)C2)CC1 ZINC000556205530 1078519514 /nfs/dbraw/zinc/51/95/14/1078519514.db2.gz DCNNWRCHDMPHSE-PXNSSMCTSA-N 2 0 411.616 0.167 20 0 HCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@@]3([NH+](C)C)CCSC3)C2)CC1 ZINC000556205533 1078519674 /nfs/dbraw/zinc/51/96/74/1078519674.db2.gz DCNNWRCHDMPHSE-XLIONFOSSA-N 2 0 411.616 0.167 20 0 HCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@]3([NH+](C)C)CCSC3)C2)CC1 ZINC000556205536 1078518951 /nfs/dbraw/zinc/51/89/51/1078518951.db2.gz DCNNWRCHDMPHSE-YLJYHZDGSA-N 2 0 411.616 0.167 20 0 HCADRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000556239307 1078549305 /nfs/dbraw/zinc/54/93/05/1078549305.db2.gz BQBQSKCEDCTSEO-JXFKEZNVSA-N 2 0 400.523 0.470 20 0 HCADRP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000556239314 1078549255 /nfs/dbraw/zinc/54/92/55/1078549255.db2.gz BQBQSKCEDCTSEO-OXJNMPFZSA-N 2 0 400.523 0.470 20 0 HCADRP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000556239319 1078549341 /nfs/dbraw/zinc/54/93/41/1078549341.db2.gz BQBQSKCEDCTSEO-OXQOHEQNSA-N 2 0 400.523 0.470 20 0 HCADRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000556239324 1078549219 /nfs/dbraw/zinc/54/92/19/1078549219.db2.gz BQBQSKCEDCTSEO-UZLBHIALSA-N 2 0 400.523 0.470 20 0 HCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)C[C@@H](C)O1 ZINC000556244067 1078552600 /nfs/dbraw/zinc/55/26/00/1078552600.db2.gz WGQMQVCHBFMPFR-LMMKCTJWSA-N 2 0 406.571 0.935 20 0 HCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)NC[C@@H]3CC[NH+](C4CC4)C3)CC2)C[C@H](C)O1 ZINC000556244068 1078552340 /nfs/dbraw/zinc/55/23/40/1078552340.db2.gz WGQMQVCHBFMPFR-SCTDSRPQSA-N 2 0 406.571 0.935 20 0 HCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)C[C@@H](C)O1 ZINC000556244069 1078552488 /nfs/dbraw/zinc/55/24/88/1078552488.db2.gz WGQMQVCHBFMPFR-ZHALLVOQSA-N 2 0 406.571 0.935 20 0 HCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)NC[C@H]3CC[NH+](C4CC4)C3)CC2)C[C@H](C)O1 ZINC000556244070 1078552443 /nfs/dbraw/zinc/55/24/43/1078552443.db2.gz WGQMQVCHBFMPFR-ZIFCJYIRSA-N 2 0 406.571 0.935 20 0 HCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000556245791 1078554485 /nfs/dbraw/zinc/55/44/85/1078554485.db2.gz CFMVEABTFIHNFA-UHFFFAOYSA-N 2 0 417.554 0.423 20 0 HCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000556247289 1078555922 /nfs/dbraw/zinc/55/59/22/1078555922.db2.gz MKBALDCRSMAHGA-IBGZPJMESA-N 2 0 417.554 0.423 20 0 HCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000556247290 1078555877 /nfs/dbraw/zinc/55/58/77/1078555877.db2.gz MKBALDCRSMAHGA-LJQANCHMSA-N 2 0 417.554 0.423 20 0 HCADRP C[C@H]1CN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000556247424 1078555953 /nfs/dbraw/zinc/55/59/53/1078555953.db2.gz WPONGZKPVMZMFV-GHTZIAJQSA-N 2 0 415.582 0.849 20 0 HCADRP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000556247427 1078556340 /nfs/dbraw/zinc/55/63/40/1078556340.db2.gz WPONGZKPVMZMFV-NQIIRXRSSA-N 2 0 415.582 0.849 20 0 HCADRP C[C@H]1CN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000556247428 1078556400 /nfs/dbraw/zinc/55/64/00/1078556400.db2.gz WPONGZKPVMZMFV-RXVVDRJESA-N 2 0 415.582 0.849 20 0 HCADRP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000556247430 1078556262 /nfs/dbraw/zinc/55/62/62/1078556262.db2.gz WPONGZKPVMZMFV-WIYYLYMNSA-N 2 0 415.582 0.849 20 0 HCADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000556248856 1078556428 /nfs/dbraw/zinc/55/64/28/1078556428.db2.gz SLHULGURCFBGPQ-UHFFFAOYSA-N 2 0 402.539 0.935 20 0 HCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NC3CC[NH+](CC4CC4)CC3)CC2)CC1 ZINC000556250184 1078557202 /nfs/dbraw/zinc/55/72/02/1078557202.db2.gz SXTZEWLOXLBUSO-UHFFFAOYSA-N 2 0 419.614 0.994 20 0 HCADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000556250294 1078557248 /nfs/dbraw/zinc/55/72/48/1078557248.db2.gz WAUUBIYZDAJMPP-FQEVSTJZSA-N 2 0 405.587 0.606 20 0 HCADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000556250299 1078557169 /nfs/dbraw/zinc/55/71/69/1078557169.db2.gz WAUUBIYZDAJMPP-HXUWFJFHSA-N 2 0 405.587 0.606 20 0 HCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC3CCN(c4ccccn4)CC3)C2)CC1 ZINC000556251765 1078557876 /nfs/dbraw/zinc/55/78/76/1078557876.db2.gz BBUNCWVDLXHTSG-IBGZPJMESA-N 2 0 414.554 0.405 20 0 HCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC3CCN(c4ccccn4)CC3)C2)CC1 ZINC000556251766 1078557922 /nfs/dbraw/zinc/55/79/22/1078557922.db2.gz BBUNCWVDLXHTSG-LJQANCHMSA-N 2 0 414.554 0.405 20 0 HCADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCc2cn3c(n2)CCCC3)CC1 ZINC000556281593 1078574513 /nfs/dbraw/zinc/57/45/13/1078574513.db2.gz OPFXIVKMJMINMM-LJQANCHMSA-N 2 0 416.570 0.507 20 0 HCADRP Cc1c([C@H](C)NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cnn1C ZINC000556297990 1078590114 /nfs/dbraw/zinc/59/01/14/1078590114.db2.gz PPEPFQJKCXKSGL-INIZCTEOSA-N 2 0 413.526 0.629 20 0 HCADRP Cc1c([C@@H](C)NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cnn1C ZINC000556297993 1078590063 /nfs/dbraw/zinc/59/00/63/1078590063.db2.gz PPEPFQJKCXKSGL-MRXNPFEDSA-N 2 0 413.526 0.629 20 0 HCADRP COCC[NH+]1CCC(NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000556305121 1078601624 /nfs/dbraw/zinc/60/16/24/1078601624.db2.gz KXCOICHVTUPLDZ-UHFFFAOYSA-N 2 0 412.600 0.691 20 0 HCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000556309106 1078595699 /nfs/dbraw/zinc/59/56/99/1078595699.db2.gz ASATXQYAEIPMLN-UHFFFAOYSA-N 2 0 404.555 0.803 20 0 HCADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CC(=O)N3CCN(c4cnccn4)CC3)CC2)C[C@H](C)O1 ZINC000556316917 1078615409 /nfs/dbraw/zinc/61/54/09/1078615409.db2.gz QMRNETHHGDTXRX-KDURUIRLSA-N 2 0 416.570 0.946 20 0 HCADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000556347417 1078640066 /nfs/dbraw/zinc/64/00/66/1078640066.db2.gz IKUKOBPZSWJHMW-CTNGQTDRSA-N 2 0 415.582 0.767 20 0 HCADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000556347424 1078640191 /nfs/dbraw/zinc/64/01/91/1078640191.db2.gz IKUKOBPZSWJHMW-FPOVZHCZSA-N 2 0 415.582 0.767 20 0 HCADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000556347425 1078640098 /nfs/dbraw/zinc/64/00/98/1078640098.db2.gz IKUKOBPZSWJHMW-PZJWPPBQSA-N 2 0 415.582 0.767 20 0 HCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000556347426 1078640152 /nfs/dbraw/zinc/64/01/52/1078640152.db2.gz IKUKOBPZSWJHMW-TZIWHRDSSA-N 2 0 415.582 0.767 20 0 HCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000556348732 1078640786 /nfs/dbraw/zinc/64/07/86/1078640786.db2.gz SZEYAFVYDKEVCZ-IBGZPJMESA-N 2 0 423.602 0.137 20 0 HCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000556348733 1078640915 /nfs/dbraw/zinc/64/09/15/1078640915.db2.gz SZEYAFVYDKEVCZ-LJQANCHMSA-N 2 0 423.602 0.137 20 0 HCADRP Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)[NH+](C)C)cc1 ZINC000556354122 1078651466 /nfs/dbraw/zinc/65/14/66/1078651466.db2.gz HJGLYVJBNZPCBK-AZUAARDMSA-N 2 0 403.571 0.714 20 0 HCADRP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)[NH+](C)C)cc1 ZINC000556354128 1078651457 /nfs/dbraw/zinc/65/14/57/1078651457.db2.gz HJGLYVJBNZPCBK-ICSRJNTNSA-N 2 0 403.571 0.714 20 0 HCADRP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)[NH+](C)C)cc1 ZINC000556354129 1078651356 /nfs/dbraw/zinc/65/13/56/1078651356.db2.gz HJGLYVJBNZPCBK-QUCCMNQESA-N 2 0 403.571 0.714 20 0 HCADRP Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)[NH+](C)C)cc1 ZINC000556354130 1078651362 /nfs/dbraw/zinc/65/13/62/1078651362.db2.gz HJGLYVJBNZPCBK-UYAOXDASSA-N 2 0 403.571 0.714 20 0 HCADRP C[C@H](CNC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1)C[NH+]1CCN(C)CC1 ZINC000556354905 1078652397 /nfs/dbraw/zinc/65/23/97/1078652397.db2.gz MVHMAGLOUCJFDY-GOSISDBHSA-N 2 0 403.571 0.407 20 0 HCADRP C[C@@H](CNC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1)C[NH+]1CCN(C)CC1 ZINC000556354906 1078652475 /nfs/dbraw/zinc/65/24/75/1078652475.db2.gz MVHMAGLOUCJFDY-SFHVURJKSA-N 2 0 403.571 0.407 20 0 HCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NC[C@H](C)C[NH+]3CCCC3)CC2)CC1 ZINC000556355616 1078644390 /nfs/dbraw/zinc/64/43/90/1078644390.db2.gz SOFVXHCFLXMXBY-IBGZPJMESA-N 2 0 407.603 0.852 20 0 HCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]3CCCC3)CC2)CC1 ZINC000556355617 1078644250 /nfs/dbraw/zinc/64/42/50/1078644250.db2.gz SOFVXHCFLXMXBY-LJQANCHMSA-N 2 0 407.603 0.852 20 0 HCADRP C[C@H](CNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000556355952 1078654411 /nfs/dbraw/zinc/65/44/11/1078654411.db2.gz HRLSOUQCQFTIPD-CEXWTWQISA-N 2 0 409.619 0.859 20 0 HCADRP C[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000556355954 1078643892 /nfs/dbraw/zinc/64/38/92/1078643892.db2.gz HRLSOUQCQFTIPD-GBESFXJTSA-N 2 0 409.619 0.859 20 0 HCADRP C[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000556355955 1078643717 /nfs/dbraw/zinc/64/37/17/1078643717.db2.gz HRLSOUQCQFTIPD-GUDVDZBRSA-N 2 0 409.619 0.859 20 0 HCADRP C[C@@H](CNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000556355957 1078643736 /nfs/dbraw/zinc/64/37/36/1078643736.db2.gz HRLSOUQCQFTIPD-OTWHNJEPSA-N 2 0 409.619 0.859 20 0 HCADRP C[C@@H](CNC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C[NH+]1CCCC1 ZINC000556356408 1078645027 /nfs/dbraw/zinc/64/50/27/1078645027.db2.gz KYGLVLOSUSRQQJ-KRWDZBQOSA-N 2 0 423.602 0.577 20 0 HCADRP C[C@H](CNC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C[NH+]1CCCC1 ZINC000556356411 1078645044 /nfs/dbraw/zinc/64/50/44/1078645044.db2.gz KYGLVLOSUSRQQJ-QGZVFWFLSA-N 2 0 423.602 0.577 20 0 HCADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000556356459 1078645056 /nfs/dbraw/zinc/64/50/56/1078645056.db2.gz YLRLOMSADQRVNU-DYXWJJEUSA-N 2 0 415.582 0.938 20 0 HCADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000556356460 1078645093 /nfs/dbraw/zinc/64/50/93/1078645093.db2.gz YLRLOMSADQRVNU-SBHAEUEKSA-N 2 0 415.582 0.938 20 0 HCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000556356461 1078645046 /nfs/dbraw/zinc/64/50/46/1078645046.db2.gz YLRLOMSADQRVNU-SFHLNBCPSA-N 2 0 415.582 0.938 20 0 HCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000556356462 1078644977 /nfs/dbraw/zinc/64/49/77/1078644977.db2.gz YLRLOMSADQRVNU-SVFBPWRDSA-N 2 0 415.582 0.938 20 0 HCADRP C[C@@H](CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000556356719 1078646098 /nfs/dbraw/zinc/64/60/98/1078646098.db2.gz QEQFIKBICRDWEG-FQEVSTJZSA-N 2 0 415.582 0.769 20 0 HCADRP C[C@H](CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000556356720 1078645942 /nfs/dbraw/zinc/64/59/42/1078645942.db2.gz QEQFIKBICRDWEG-HXUWFJFHSA-N 2 0 415.582 0.769 20 0 HCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000556356847 1078646177 /nfs/dbraw/zinc/64/61/77/1078646177.db2.gz WKJXMDMQDNNJIN-IBGZPJMESA-N 2 0 407.603 0.711 20 0 HCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000556356848 1078646030 /nfs/dbraw/zinc/64/60/30/1078646030.db2.gz WKJXMDMQDNNJIN-LJQANCHMSA-N 2 0 407.603 0.711 20 0 HCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000556362659 1078660851 /nfs/dbraw/zinc/66/08/51/1078660851.db2.gz QAHCKTAHMYOUSB-PMACEKPBSA-N 2 0 405.587 0.746 20 0 HCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000556362673 1078660951 /nfs/dbraw/zinc/66/09/51/1078660951.db2.gz QAHCKTAHMYOUSB-UXHICEINSA-N 2 0 405.587 0.746 20 0 HCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC000556362674 1078660972 /nfs/dbraw/zinc/66/09/72/1078660972.db2.gz QAHCKTAHMYOUSB-VQTJNVASSA-N 2 0 405.587 0.746 20 0 HCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC000556362675 1078660827 /nfs/dbraw/zinc/66/08/27/1078660827.db2.gz QAHCKTAHMYOUSB-WOJBJXKFSA-N 2 0 405.587 0.746 20 0 HCADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)cn2)CC1 ZINC000556365258 1078664611 /nfs/dbraw/zinc/66/46/11/1078664611.db2.gz SKRMOVQEZPQYPJ-MOPGFXCFSA-N 2 0 414.554 0.583 20 0 HCADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)cn2)CC1 ZINC000556365262 1078664145 /nfs/dbraw/zinc/66/41/45/1078664145.db2.gz SKRMOVQEZPQYPJ-OALUTQOASA-N 2 0 414.554 0.583 20 0 HCADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)cn2)CC1 ZINC000556365263 1078664722 /nfs/dbraw/zinc/66/47/22/1078664722.db2.gz SKRMOVQEZPQYPJ-RBUKOAKNSA-N 2 0 414.554 0.583 20 0 HCADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)cn2)CC1 ZINC000556365264 1078664690 /nfs/dbraw/zinc/66/46/90/1078664690.db2.gz SKRMOVQEZPQYPJ-RTBURBONSA-N 2 0 414.554 0.583 20 0 HCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CC1 ZINC000556365602 1078655616 /nfs/dbraw/zinc/65/56/16/1078655616.db2.gz XSSAPCGGIHEIHB-IYWMVGAKSA-N 2 0 405.587 0.746 20 0 HCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)CC1 ZINC000556365603 1078655544 /nfs/dbraw/zinc/65/55/44/1078655544.db2.gz XSSAPCGGIHEIHB-WCIQWLHISA-N 2 0 405.587 0.746 20 0 HCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)CC1 ZINC000556365604 1078655559 /nfs/dbraw/zinc/65/55/59/1078655559.db2.gz XSSAPCGGIHEIHB-YRPNKDGESA-N 2 0 405.587 0.746 20 0 HCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)CC1 ZINC000556365605 1078655595 /nfs/dbraw/zinc/65/55/95/1078655595.db2.gz XSSAPCGGIHEIHB-ZGXWSNOMSA-N 2 0 405.587 0.746 20 0 HCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000556366131 1078654485 /nfs/dbraw/zinc/65/44/85/1078654485.db2.gz BIMSEQINNSDMBQ-LEWJYISDSA-N 2 0 413.566 0.663 20 0 HCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000556366132 1078654921 /nfs/dbraw/zinc/65/49/21/1078654921.db2.gz BIMSEQINNSDMBQ-NHCUHLMSSA-N 2 0 413.566 0.663 20 0 HCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000556366133 1078655045 /nfs/dbraw/zinc/65/50/45/1078655045.db2.gz BIMSEQINNSDMBQ-RTWAWAEBSA-N 2 0 413.566 0.663 20 0 HCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000556366134 1078655074 /nfs/dbraw/zinc/65/50/74/1078655074.db2.gz BIMSEQINNSDMBQ-SFTDATJTSA-N 2 0 413.566 0.663 20 0 HCADRP C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1)C[NH+]1CCN(C)CC1 ZINC000556367536 1078677187 /nfs/dbraw/zinc/67/71/87/1078677187.db2.gz BTOPAAXRNIXVFY-IBGZPJMESA-N 2 0 415.582 0.551 20 0 HCADRP C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1)C[NH+]1CCN(C)CC1 ZINC000556367537 1078677319 /nfs/dbraw/zinc/67/73/19/1078677319.db2.gz BTOPAAXRNIXVFY-LJQANCHMSA-N 2 0 415.582 0.551 20 0 HCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000556369215 1078667270 /nfs/dbraw/zinc/66/72/70/1078667270.db2.gz HANRMSKVUIHDAT-IBGZPJMESA-N 2 0 409.619 0.860 20 0 HCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000556369219 1078667186 /nfs/dbraw/zinc/66/71/86/1078667186.db2.gz HANRMSKVUIHDAT-LJQANCHMSA-N 2 0 409.619 0.860 20 0 HCADRP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Cn1cccn1 ZINC000556370412 1078671932 /nfs/dbraw/zinc/67/19/32/1078671932.db2.gz ZNUSOVDTPIJBPI-GOSISDBHSA-N 2 0 413.526 0.359 20 0 HCADRP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Cn1cccn1 ZINC000556370414 1078671840 /nfs/dbraw/zinc/67/18/40/1078671840.db2.gz ZNUSOVDTPIJBPI-SFHVURJKSA-N 2 0 413.526 0.359 20 0 HCADRP C[C@@H](CNC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)C[NH+]1CCN(C)CC1 ZINC000556372829 1078676057 /nfs/dbraw/zinc/67/60/57/1078676057.db2.gz YWXSUBNXAMXWAL-KRWDZBQOSA-N 2 0 407.534 0.373 20 0 HCADRP C[C@H](CNC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)C[NH+]1CCN(C)CC1 ZINC000556372830 1078676072 /nfs/dbraw/zinc/67/60/72/1078676072.db2.gz YWXSUBNXAMXWAL-QGZVFWFLSA-N 2 0 407.534 0.373 20 0 HCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000556506115 1078784973 /nfs/dbraw/zinc/78/49/73/1078784973.db2.gz BMGXPLBIIDXPGQ-UHFFFAOYSA-N 2 0 421.517 0.782 20 0 HCADRP COc1c(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc(Cl)cc1C(N)=O ZINC000556561071 1078836373 /nfs/dbraw/zinc/83/63/73/1078836373.db2.gz PUIBONQEFHWXQU-UHFFFAOYSA-N 2 0 413.906 0.338 20 0 HCADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000556594709 1078851171 /nfs/dbraw/zinc/85/11/71/1078851171.db2.gz SYZWZMTZKZSMNR-UHFFFAOYSA-N 2 0 417.554 0.838 20 0 HCADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000556638847 1078883196 /nfs/dbraw/zinc/88/31/96/1078883196.db2.gz MHOVFCJEYPHMNG-LEWJYISDSA-N 2 0 416.566 0.846 20 0 HCADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000556638855 1078883123 /nfs/dbraw/zinc/88/31/23/1078883123.db2.gz MHOVFCJEYPHMNG-SFTDATJTSA-N 2 0 416.566 0.846 20 0 HCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C[C@@H](C)O1 ZINC000556640455 1078883906 /nfs/dbraw/zinc/88/39/06/1078883906.db2.gz RBLFPBISDCZTLL-GGPKGHCWSA-N 2 0 404.555 0.891 20 0 HCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C[C@H](C)O1 ZINC000556640457 1078883831 /nfs/dbraw/zinc/88/38/31/1078883831.db2.gz RBLFPBISDCZTLL-NSHGMRRFSA-N 2 0 404.555 0.891 20 0 HCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C[C@@H](C)O1 ZINC000556640458 1078883876 /nfs/dbraw/zinc/88/38/76/1078883876.db2.gz RBLFPBISDCZTLL-QWFCFKBJSA-N 2 0 404.555 0.891 20 0 HCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C[C@H](C)O1 ZINC000556640459 1078883814 /nfs/dbraw/zinc/88/38/14/1078883814.db2.gz RBLFPBISDCZTLL-WSTZPKSXSA-N 2 0 404.555 0.891 20 0 HCADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)CC2)CC1 ZINC000556641010 1078885300 /nfs/dbraw/zinc/88/53/00/1078885300.db2.gz OCBSBQBTTHVSSJ-UHFFFAOYSA-N 2 0 407.603 0.852 20 0 HCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000556641123 1078884992 /nfs/dbraw/zinc/88/49/92/1078884992.db2.gz OUEXCDDPCIVPFI-KRWDZBQOSA-N 2 0 409.575 0.424 20 0 HCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000556641127 1078884935 /nfs/dbraw/zinc/88/49/35/1078884935.db2.gz OUEXCDDPCIVPFI-QGZVFWFLSA-N 2 0 409.575 0.424 20 0 HCADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000556642900 1078887460 /nfs/dbraw/zinc/88/74/60/1078887460.db2.gz YLBOLYJVGSOQSX-NRFANRHFSA-N 2 0 416.566 0.846 20 0 HCADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000556642902 1078887361 /nfs/dbraw/zinc/88/73/61/1078887361.db2.gz YLBOLYJVGSOQSX-OAQYLSRUSA-N 2 0 416.566 0.846 20 0 HCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)C2)CC1 ZINC000556642914 1078887468 /nfs/dbraw/zinc/88/74/68/1078887468.db2.gz YULNWKMEAIGRFR-IBGZPJMESA-N 2 0 407.603 0.992 20 0 HCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)C2)CC1 ZINC000556642915 1078887384 /nfs/dbraw/zinc/88/73/84/1078887384.db2.gz YULNWKMEAIGRFR-LJQANCHMSA-N 2 0 407.603 0.992 20 0 HCADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000556650499 1078895481 /nfs/dbraw/zinc/89/54/81/1078895481.db2.gz VSTWFEOVOANISY-UHFFFAOYSA-N 2 0 407.559 0.132 20 0 HCADRP Cc1ccc([C@H](CNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[NH+](C)C)cc1 ZINC000556653431 1078897532 /nfs/dbraw/zinc/89/75/32/1078897532.db2.gz GWKALSXPLPGNDI-IBGZPJMESA-N 2 0 403.571 0.856 20 0 HCADRP Cc1ccc([C@@H](CNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[NH+](C)C)cc1 ZINC000556653442 1078897593 /nfs/dbraw/zinc/89/75/93/1078897593.db2.gz GWKALSXPLPGNDI-LJQANCHMSA-N 2 0 403.571 0.856 20 0 HCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000557016194 1079089504 /nfs/dbraw/zinc/08/95/04/1079089504.db2.gz YJDPULWZWYZXIA-INIZCTEOSA-N 2 0 411.591 0.385 20 0 HCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000557016195 1079089432 /nfs/dbraw/zinc/08/94/32/1079089432.db2.gz YJDPULWZWYZXIA-MRXNPFEDSA-N 2 0 411.591 0.385 20 0 HCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000557023031 1079093854 /nfs/dbraw/zinc/09/38/54/1079093854.db2.gz UKHSVIQJPVPOST-DLBZAZTESA-N 2 0 408.568 0.913 20 0 HCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000557023032 1079093914 /nfs/dbraw/zinc/09/39/14/1079093914.db2.gz UKHSVIQJPVPOST-IAGOWNOFSA-N 2 0 408.568 0.913 20 0 HCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000557023034 1079093760 /nfs/dbraw/zinc/09/37/60/1079093760.db2.gz UKHSVIQJPVPOST-IRXDYDNUSA-N 2 0 408.568 0.913 20 0 HCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000557023037 1079093698 /nfs/dbraw/zinc/09/36/98/1079093698.db2.gz UKHSVIQJPVPOST-SJORKVTESA-N 2 0 408.568 0.913 20 0 HCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000557023945 1079087552 /nfs/dbraw/zinc/08/75/52/1079087552.db2.gz XWSCPVQDDOZRRI-KRWDZBQOSA-N 2 0 407.584 0.438 20 0 HCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000557023946 1079087580 /nfs/dbraw/zinc/08/75/80/1079087580.db2.gz XWSCPVQDDOZRRI-QGZVFWFLSA-N 2 0 407.584 0.438 20 0 HCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000557045239 1079105396 /nfs/dbraw/zinc/10/53/96/1079105396.db2.gz JJBZSHOVNVKTDP-IBGZPJMESA-N 2 0 402.539 0.946 20 0 HCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000557045241 1079105425 /nfs/dbraw/zinc/10/54/25/1079105425.db2.gz JJBZSHOVNVKTDP-LJQANCHMSA-N 2 0 402.539 0.946 20 0 HCADRP C[NH+]1CCC(CCNC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000557046292 1079105359 /nfs/dbraw/zinc/10/53/59/1079105359.db2.gz RTYKOGIVGKOWPI-UHFFFAOYSA-N 2 0 415.582 0.769 20 0 HCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000557056410 1079107834 /nfs/dbraw/zinc/10/78/34/1079107834.db2.gz WYEQDLGAACNLKU-GOSISDBHSA-N 2 0 402.543 0.250 20 0 HCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000557056417 1079107823 /nfs/dbraw/zinc/10/78/23/1079107823.db2.gz WYEQDLGAACNLKU-SFHVURJKSA-N 2 0 402.543 0.250 20 0 HCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000557057568 1079108253 /nfs/dbraw/zinc/10/82/53/1079108253.db2.gz GOOSNAPBTTZNQZ-FQEVSTJZSA-N 2 0 407.603 0.852 20 0 HCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000557057569 1079108135 /nfs/dbraw/zinc/10/81/35/1079108135.db2.gz GOOSNAPBTTZNQZ-HXUWFJFHSA-N 2 0 407.603 0.852 20 0 HCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000557069836 1079114277 /nfs/dbraw/zinc/11/42/77/1079114277.db2.gz KXUOCNQQEIYGNW-KDURUIRLSA-N 2 0 407.603 0.852 20 0 HCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000557069837 1079114810 /nfs/dbraw/zinc/11/48/10/1079114810.db2.gz KXUOCNQQEIYGNW-OALUTQOASA-N 2 0 407.603 0.852 20 0 HCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000557069838 1079114775 /nfs/dbraw/zinc/11/47/75/1079114775.db2.gz KXUOCNQQEIYGNW-RTBURBONSA-N 2 0 407.603 0.852 20 0 HCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000564327286 1079252816 /nfs/dbraw/zinc/25/28/16/1079252816.db2.gz TWXSQUOQTTXVDM-UHFFFAOYSA-N 2 0 404.555 0.712 20 0 HCADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000564341676 1078528578 /nfs/dbraw/zinc/52/85/78/1078528578.db2.gz HXNVBABVNKDKMJ-KRWDZBQOSA-N 2 0 401.511 0.872 20 0 HCADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000564341686 1078528458 /nfs/dbraw/zinc/52/84/58/1078528458.db2.gz HXNVBABVNKDKMJ-QGZVFWFLSA-N 2 0 401.511 0.872 20 0 HCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCC[N@H+](C)Cc3ccc(F)cc3)C2)CC1 ZINC000564341873 1078529717 /nfs/dbraw/zinc/52/97/17/1078529717.db2.gz HVENLLHDJZOYEI-FQEVSTJZSA-N 2 0 419.545 0.612 20 0 HCADRP CN1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000564360035 1078652476 /nfs/dbraw/zinc/65/24/76/1078652476.db2.gz YSAGAQFTWKTLEC-NRFANRHFSA-N 2 0 415.582 0.769 20 0 HCADRP CN1CC[NH+](CCCCNC(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000564360037 1078652417 /nfs/dbraw/zinc/65/24/17/1078652417.db2.gz YSAGAQFTWKTLEC-OAQYLSRUSA-N 2 0 415.582 0.769 20 0 HCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CCCO1 ZINC000572555570 1078895758 /nfs/dbraw/zinc/89/57/58/1078895758.db2.gz DPORIHRBPFTHPJ-GOSISDBHSA-N 2 0 412.575 0.563 20 0 HCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CCCO1 ZINC000572555571 1078895729 /nfs/dbraw/zinc/89/57/29/1078895729.db2.gz DPORIHRBPFTHPJ-SFHVURJKSA-N 2 0 412.575 0.563 20 0 HCADRP CN(CCC[N@H+](C)CC(=O)N1CCN(C(=O)c2cccs2)CC1)CC[NH+](C)C ZINC000572558695 1078917700 /nfs/dbraw/zinc/91/77/00/1078917700.db2.gz KNXPBVAAXSQLBE-UHFFFAOYSA-N 2 0 409.600 0.848 20 0 HCADRP CC(C)(CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NS(C)(=O)=O ZINC000598087219 1073418277 /nfs/dbraw/zinc/41/82/77/1073418277.db2.gz QQZXGAQFJAUQJE-UHFFFAOYSA-N 2 0 412.560 0.221 20 0 HCADRP C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCC[C@H]([NH+](C)C)C3)c[nH]2)C1 ZINC000599211957 1073582261 /nfs/dbraw/zinc/58/22/61/1073582261.db2.gz WRJAJLHDQFKLFN-CVEARBPZSA-N 2 0 411.572 0.896 20 0 HCADRP C[NH+](C)[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCC[C@H]([NH+](C)C)C3)c[nH]2)C1 ZINC000599211958 1073582541 /nfs/dbraw/zinc/58/25/41/1073582541.db2.gz WRJAJLHDQFKLFN-HOTGVXAUSA-N 2 0 411.572 0.896 20 0 HCADRP C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCC[C@@H]([NH+](C)C)C3)c[nH]2)C1 ZINC000599211959 1073582343 /nfs/dbraw/zinc/58/23/43/1073582343.db2.gz WRJAJLHDQFKLFN-HZPDHXFCSA-N 2 0 411.572 0.896 20 0 HCADRP C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCC[C@H]([NH+](C)C)C3)c2)C1 ZINC000599211960 1073582493 /nfs/dbraw/zinc/58/24/93/1073582493.db2.gz WRJAJLHDQFKLFN-JKSUJKDBSA-N 2 0 411.572 0.896 20 0 HCADRP C[C@@H](O)C[NH+]1CCN(c2nc(N3CC[NH+](C[C@H](C)O)CC3)nc3ccccc32)CC1 ZINC000599881727 1073703106 /nfs/dbraw/zinc/70/31/06/1073703106.db2.gz INVHXDIIEBTCEV-MSOLQXFVSA-N 2 0 414.554 0.635 20 0 HCADRP C[C@@H](O)C[NH+]1CCN(c2nc3ccccc3c(N3CC[NH+](C[C@H](C)O)CC3)n2)CC1 ZINC000599881728 1073703618 /nfs/dbraw/zinc/70/36/18/1073703618.db2.gz INVHXDIIEBTCEV-ZWKOTPCHSA-N 2 0 414.554 0.635 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)CC1=O ZINC000602332734 1073402430 /nfs/dbraw/zinc/40/24/30/1073402430.db2.gz PWFAPXMYNWTYKJ-CMKODMSKSA-N 2 0 405.587 0.604 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)CC1=O ZINC000602332736 1073402727 /nfs/dbraw/zinc/40/27/27/1073402727.db2.gz PWFAPXMYNWTYKJ-NLWGTHIKSA-N 2 0 405.587 0.604 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)CC1=O ZINC000602332738 1073401613 /nfs/dbraw/zinc/40/16/13/1073401613.db2.gz PWFAPXMYNWTYKJ-QWFCFKBJSA-N 2 0 405.587 0.604 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)CC1=O ZINC000602332740 1073401207 /nfs/dbraw/zinc/40/12/07/1073401207.db2.gz PWFAPXMYNWTYKJ-WSTZPKSXSA-N 2 0 405.587 0.604 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC([NH+]3CCC[C@@H]3C(N)=O)CC2)CC1=O ZINC000603241752 1073495214 /nfs/dbraw/zinc/49/52/14/1073495214.db2.gz LIBUYQOAWNGDGI-BHIYHBOVSA-N 2 0 419.570 0.260 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC([NH+]3CCC[C@H]3C(N)=O)CC2)CC1=O ZINC000603241753 1073495705 /nfs/dbraw/zinc/49/57/05/1073495705.db2.gz LIBUYQOAWNGDGI-QRQLOZEOSA-N 2 0 419.570 0.260 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC([NH+]3CCC[C@@H]3C(N)=O)CC2)CC1=O ZINC000603241754 1073495593 /nfs/dbraw/zinc/49/55/93/1073495593.db2.gz LIBUYQOAWNGDGI-QXAKKESOSA-N 2 0 419.570 0.260 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC([NH+]3CCC[C@H]3C(N)=O)CC2)CC1=O ZINC000603241755 1073495396 /nfs/dbraw/zinc/49/53/96/1073495396.db2.gz LIBUYQOAWNGDGI-UHOSZYNNSA-N 2 0 419.570 0.260 20 0 HCADRP CC[NH+]1CCN(CCNC(=O)c2nnn(-c3cccc4c3CC[N@H+](C)C4)c2C)CC1 ZINC000603285344 1073503330 /nfs/dbraw/zinc/50/33/30/1073503330.db2.gz QQUGIRUJFYGOLY-UHFFFAOYSA-N 2 0 411.554 0.931 20 0 HCADRP CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000603533518 1073556419 /nfs/dbraw/zinc/55/64/19/1073556419.db2.gz CECBTGDKAPYWHV-GOSISDBHSA-N 2 0 424.571 0.317 20 0 HCADRP CNS(=O)(=O)[C@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000603533519 1073556691 /nfs/dbraw/zinc/55/66/91/1073556691.db2.gz CECBTGDKAPYWHV-SFHVURJKSA-N 2 0 424.571 0.317 20 0 HCADRP Cc1c(C(=O)N2CCN(CC[NH+](C)C)CC2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000603552541 1073560536 /nfs/dbraw/zinc/56/05/36/1073560536.db2.gz FCOBEJMNDOUYEI-UHFFFAOYSA-N 2 0 411.554 0.883 20 0 HCADRP Cc1c(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000603553378 1073560466 /nfs/dbraw/zinc/56/04/66/1073560466.db2.gz XXUVLLRPIAMXQT-INIZCTEOSA-N 2 0 411.554 0.929 20 0 HCADRP Cc1c(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000603553379 1073560772 /nfs/dbraw/zinc/56/07/72/1073560772.db2.gz XXUVLLRPIAMXQT-MRXNPFEDSA-N 2 0 411.554 0.929 20 0 HCADRP O=C(COCC(=O)Nc1ccn(-c2cc[nH+]cc2)n1)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000603675071 1073593073 /nfs/dbraw/zinc/59/30/73/1073593073.db2.gz AYUVYTUSIYNXPP-UHFFFAOYSA-N 2 0 418.417 0.286 20 0 HCADRP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000603820384 1073635674 /nfs/dbraw/zinc/63/56/74/1073635674.db2.gz MORQHYULBULLIY-DENIHFKCSA-N 2 0 400.523 0.564 20 0 HCADRP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000603820389 1073635953 /nfs/dbraw/zinc/63/59/53/1073635953.db2.gz MORQHYULBULLIY-KNQAVFIVSA-N 2 0 400.523 0.564 20 0 HCADRP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000603820391 1073636662 /nfs/dbraw/zinc/63/66/62/1073636662.db2.gz MORQHYULBULLIY-SIKLNZKXSA-N 2 0 400.523 0.564 20 0 HCADRP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000603820392 1073636972 /nfs/dbraw/zinc/63/69/72/1073636972.db2.gz MORQHYULBULLIY-UGKGYDQZSA-N 2 0 400.523 0.564 20 0 HCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000604187765 1073740214 /nfs/dbraw/zinc/74/02/14/1073740214.db2.gz HXGZXIVZRDUOTR-HKUYNNGSSA-N 2 0 408.591 0.397 20 0 HCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000604187766 1073739978 /nfs/dbraw/zinc/73/99/78/1073739978.db2.gz HXGZXIVZRDUOTR-IEBWSBKVSA-N 2 0 408.591 0.397 20 0 HCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000604187767 1073740784 /nfs/dbraw/zinc/74/07/84/1073740784.db2.gz HXGZXIVZRDUOTR-MJGOQNOKSA-N 2 0 408.591 0.397 20 0 HCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000604187768 1073740578 /nfs/dbraw/zinc/74/05/78/1073740578.db2.gz HXGZXIVZRDUOTR-PKOBYXMFSA-N 2 0 408.591 0.397 20 0 HCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000604195119 1073743064 /nfs/dbraw/zinc/74/30/64/1073743064.db2.gz ODTHDQACOWFXQQ-GOSISDBHSA-N 2 0 408.591 0.397 20 0 HCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000604195120 1073743858 /nfs/dbraw/zinc/74/38/58/1073743858.db2.gz ODTHDQACOWFXQQ-SFHVURJKSA-N 2 0 408.591 0.397 20 0 HCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000604208647 1073751462 /nfs/dbraw/zinc/75/14/62/1073751462.db2.gz KMKDBYNFQVLEOS-GOSISDBHSA-N 2 0 408.591 0.351 20 0 HCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000604208658 1073751993 /nfs/dbraw/zinc/75/19/93/1073751993.db2.gz KMKDBYNFQVLEOS-SFHVURJKSA-N 2 0 408.591 0.351 20 0 HCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2)CC1 ZINC000604209118 1073751741 /nfs/dbraw/zinc/75/17/41/1073751741.db2.gz NSWFFXVHPDAFFX-GOSISDBHSA-N 2 0 406.575 0.105 20 0 HCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2)CC1 ZINC000604209120 1073751783 /nfs/dbraw/zinc/75/17/83/1073751783.db2.gz NSWFFXVHPDAFFX-SFHVURJKSA-N 2 0 406.575 0.105 20 0 HCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(C[C@@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000604209966 1073753402 /nfs/dbraw/zinc/75/34/02/1073753402.db2.gz ZPFYMNNINUWXMX-CTNGQTDRSA-N 2 0 406.619 0.966 20 0 HCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(C[C@@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000604209967 1073752943 /nfs/dbraw/zinc/75/29/43/1073752943.db2.gz ZPFYMNNINUWXMX-FPOVZHCZSA-N 2 0 406.619 0.966 20 0 HCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(C[C@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000604209968 1073753127 /nfs/dbraw/zinc/75/31/27/1073753127.db2.gz ZPFYMNNINUWXMX-PZJWPPBQSA-N 2 0 406.619 0.966 20 0 HCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(C[C@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000604209969 1073752644 /nfs/dbraw/zinc/75/26/44/1073752644.db2.gz ZPFYMNNINUWXMX-TZIWHRDSSA-N 2 0 406.619 0.966 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)CC1=O ZINC000604352562 1073789409 /nfs/dbraw/zinc/78/94/09/1073789409.db2.gz IWFJBDLXEHSMHM-HSALFYBXSA-N 2 0 405.587 0.558 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)CC1=O ZINC000604352563 1073789135 /nfs/dbraw/zinc/78/91/35/1073789135.db2.gz IWFJBDLXEHSMHM-SLFFLAALSA-N 2 0 405.587 0.558 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)CC1=O ZINC000604352564 1073789084 /nfs/dbraw/zinc/78/90/84/1073789084.db2.gz IWFJBDLXEHSMHM-VAMGGRTRSA-N 2 0 405.587 0.558 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)CC1=O ZINC000604352565 1073789444 /nfs/dbraw/zinc/78/94/44/1073789444.db2.gz IWFJBDLXEHSMHM-XUVXKRRUSA-N 2 0 405.587 0.558 20 0 HCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000604370927 1073773337 /nfs/dbraw/zinc/77/33/37/1073773337.db2.gz NNYVQVGLSKIVDB-LEWJYISDSA-N 2 0 401.555 0.816 20 0 HCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000604370939 1073771662 /nfs/dbraw/zinc/77/16/62/1073771662.db2.gz NNYVQVGLSKIVDB-NHCUHLMSSA-N 2 0 401.555 0.816 20 0 HCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000604370941 1073772007 /nfs/dbraw/zinc/77/20/07/1073772007.db2.gz NNYVQVGLSKIVDB-RTWAWAEBSA-N 2 0 401.555 0.816 20 0 HCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000604370945 1073772226 /nfs/dbraw/zinc/77/22/26/1073772226.db2.gz NNYVQVGLSKIVDB-SFTDATJTSA-N 2 0 401.555 0.816 20 0 HCADRP C[N@@H+]1CCC[C@H](N2CC[NH+](CCC(=O)N3CCN(c4ccccn4)CC3)CC2)C1 ZINC000604388491 1073803576 /nfs/dbraw/zinc/80/35/76/1073803576.db2.gz FVQVWYVYDKXICV-FQEVSTJZSA-N 2 0 400.571 0.832 20 0 HCADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCC(=O)N3CCN(c4ccccn4)CC3)CC2)C1 ZINC000604388493 1073803486 /nfs/dbraw/zinc/80/34/86/1073803486.db2.gz FVQVWYVYDKXICV-HXUWFJFHSA-N 2 0 400.571 0.832 20 0 HCADRP C[N@@H+]1CCC[C@H](N2CC[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC2)C1 ZINC000604389908 1073804002 /nfs/dbraw/zinc/80/40/02/1073804002.db2.gz YUAAJHLEIOYYHL-IBGZPJMESA-N 2 0 401.559 0.227 20 0 HCADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC2)C1 ZINC000604389909 1073803904 /nfs/dbraw/zinc/80/39/04/1073803904.db2.gz YUAAJHLEIOYYHL-LJQANCHMSA-N 2 0 401.559 0.227 20 0 HCADRP C[N@@H+]1CCC[C@H](N2CCN(CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)CC2)C1 ZINC000604390392 1073803832 /nfs/dbraw/zinc/80/38/32/1073803832.db2.gz XIASTUJLWQNPPY-NRFANRHFSA-N 2 0 421.630 0.850 20 0 HCADRP C[N@@H+]1CCC[C@@H](N2CCN(CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)CC2)C1 ZINC000604390393 1073803957 /nfs/dbraw/zinc/80/39/57/1073803957.db2.gz XIASTUJLWQNPPY-OAQYLSRUSA-N 2 0 421.630 0.850 20 0 HCADRP COc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C(=O)N(C)C ZINC000604401855 1073792777 /nfs/dbraw/zinc/79/27/77/1073792777.db2.gz VVGAYZIZQWRSRS-UHFFFAOYSA-N 2 0 400.545 0.511 20 0 HCADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)cc2)CC1 ZINC000604606318 1073820680 /nfs/dbraw/zinc/82/06/80/1073820680.db2.gz OYTCVHDUSCPHDN-JOCHJYFZSA-N 2 0 415.582 0.570 20 0 HCADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)cc2)CC1 ZINC000604606319 1073821045 /nfs/dbraw/zinc/82/10/45/1073821045.db2.gz OYTCVHDUSCPHDN-QFIPXVFZSA-N 2 0 415.582 0.570 20 0 HCADRP O=C(NCC1([NH+]2CCOCC2)CCCCC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604632088 1073822894 /nfs/dbraw/zinc/82/28/94/1073822894.db2.gz RTYZSCFMPOVCJA-FQEVSTJZSA-N 2 0 423.602 0.727 20 0 HCADRP O=C(NCC1([NH+]2CCOCC2)CCCCC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604632089 1073822976 /nfs/dbraw/zinc/82/29/76/1073822976.db2.gz RTYZSCFMPOVCJA-HXUWFJFHSA-N 2 0 423.602 0.727 20 0 HCADRP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC000604632238 1073822448 /nfs/dbraw/zinc/82/24/48/1073822448.db2.gz AATMYJHGXBVBEL-LEWJYISDSA-N 2 0 403.571 0.865 20 0 HCADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC000604632239 1073822545 /nfs/dbraw/zinc/82/25/45/1073822545.db2.gz AATMYJHGXBVBEL-NHCUHLMSSA-N 2 0 403.571 0.865 20 0 HCADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC000604632240 1073822841 /nfs/dbraw/zinc/82/28/41/1073822841.db2.gz AATMYJHGXBVBEL-RTWAWAEBSA-N 2 0 403.571 0.865 20 0 HCADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC000604632241 1073822923 /nfs/dbraw/zinc/82/29/23/1073822923.db2.gz AATMYJHGXBVBEL-SFTDATJTSA-N 2 0 403.571 0.865 20 0 HCADRP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604633222 1073822957 /nfs/dbraw/zinc/82/29/57/1073822957.db2.gz YLUXNQCADRQEKB-LEWJYISDSA-N 2 0 401.555 0.967 20 0 HCADRP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604633223 1073822828 /nfs/dbraw/zinc/82/28/28/1073822828.db2.gz YLUXNQCADRQEKB-NHCUHLMSSA-N 2 0 401.555 0.967 20 0 HCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000604633224 1073822846 /nfs/dbraw/zinc/82/28/46/1073822846.db2.gz YLUXNQCADRQEKB-RTWAWAEBSA-N 2 0 401.555 0.967 20 0 HCADRP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604633225 1073822932 /nfs/dbraw/zinc/82/29/32/1073822932.db2.gz YLUXNQCADRQEKB-SFTDATJTSA-N 2 0 401.555 0.967 20 0 HCADRP C[NH+]1CCN(c2ccc(CNC(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)cn2)CC1 ZINC000604636270 1073823340 /nfs/dbraw/zinc/82/33/40/1073823340.db2.gz PSARCVDIWREVIE-FQEVSTJZSA-N 2 0 415.586 0.755 20 0 HCADRP C[NH+]1CCN(c2ccc(CNC(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)cn2)CC1 ZINC000604636271 1073823452 /nfs/dbraw/zinc/82/34/52/1073823452.db2.gz PSARCVDIWREVIE-HXUWFJFHSA-N 2 0 415.586 0.755 20 0 HCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000604637329 1073823939 /nfs/dbraw/zinc/82/39/39/1073823939.db2.gz OCGGGENRGMQOMK-NRFANRHFSA-N 2 0 416.570 0.752 20 0 HCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000604637330 1073823918 /nfs/dbraw/zinc/82/39/18/1073823918.db2.gz OCGGGENRGMQOMK-OAQYLSRUSA-N 2 0 416.570 0.752 20 0 HCADRP C[NH+](C)CCOc1ccc(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000604637522 1073823975 /nfs/dbraw/zinc/82/39/75/1073823975.db2.gz COCWTJNVYDQNLL-FQEVSTJZSA-N 2 0 419.570 0.833 20 0 HCADRP C[NH+](C)CCOc1ccc(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000604637523 1073824030 /nfs/dbraw/zinc/82/40/30/1073824030.db2.gz COCWTJNVYDQNLL-HXUWFJFHSA-N 2 0 419.570 0.833 20 0 HCADRP C[NH+]1CCN(c2cc(CNC(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)ccn2)CC1 ZINC000604637542 1073824005 /nfs/dbraw/zinc/82/40/05/1073824005.db2.gz FLGRJTXBSIAQFK-FQEVSTJZSA-N 2 0 415.586 0.755 20 0 HCADRP C[NH+]1CCN(c2cc(CNC(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)ccn2)CC1 ZINC000604637543 1073824097 /nfs/dbraw/zinc/82/40/97/1073824097.db2.gz FLGRJTXBSIAQFK-HXUWFJFHSA-N 2 0 415.586 0.755 20 0 HCADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604638470 1073825073 /nfs/dbraw/zinc/82/50/73/1073825073.db2.gz LPOZZAKHTCKNQQ-NRFANRHFSA-N 2 0 401.555 0.750 20 0 HCADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604638471 1073824882 /nfs/dbraw/zinc/82/48/82/1073824882.db2.gz LPOZZAKHTCKNQQ-OAQYLSRUSA-N 2 0 401.555 0.750 20 0 HCADRP CCN1CC[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604639546 1073825117 /nfs/dbraw/zinc/82/51/17/1073825117.db2.gz YYWCHKXPZDFVIW-FQEVSTJZSA-N 2 0 410.607 0.110 20 0 HCADRP CCN1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604639547 1073825538 /nfs/dbraw/zinc/82/55/38/1073825538.db2.gz YYWCHKXPZDFVIW-HXUWFJFHSA-N 2 0 410.607 0.110 20 0 HCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000604642327 1073838362 /nfs/dbraw/zinc/83/83/62/1073838362.db2.gz VMPJEQIKAFRDPK-NRFANRHFSA-N 2 0 416.570 0.752 20 0 HCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000604642328 1073838427 /nfs/dbraw/zinc/83/84/27/1073838427.db2.gz VMPJEQIKAFRDPK-OAQYLSRUSA-N 2 0 416.570 0.752 20 0 HCADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604643067 1073838823 /nfs/dbraw/zinc/83/88/23/1073838823.db2.gz RVYWHSVNIIHPDB-LEWJYISDSA-N 2 0 403.571 0.865 20 0 HCADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604643068 1073838972 /nfs/dbraw/zinc/83/89/72/1073838972.db2.gz RVYWHSVNIIHPDB-NHCUHLMSSA-N 2 0 403.571 0.865 20 0 HCADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604643069 1073838904 /nfs/dbraw/zinc/83/89/04/1073838904.db2.gz RVYWHSVNIIHPDB-RTWAWAEBSA-N 2 0 403.571 0.865 20 0 HCADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604643070 1073838920 /nfs/dbraw/zinc/83/89/20/1073838920.db2.gz RVYWHSVNIIHPDB-SFTDATJTSA-N 2 0 403.571 0.865 20 0 HCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000604646420 1073839979 /nfs/dbraw/zinc/83/99/79/1073839979.db2.gz QMHSMOPCIOGSLT-FQEVSTJZSA-N 2 0 415.586 0.755 20 0 HCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000604646421 1073840114 /nfs/dbraw/zinc/84/01/14/1073840114.db2.gz QMHSMOPCIOGSLT-HXUWFJFHSA-N 2 0 415.586 0.755 20 0 HCADRP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604647355 1073840444 /nfs/dbraw/zinc/84/04/44/1073840444.db2.gz RCFPFPOJZAHBMC-FQEVSTJZSA-N 2 0 419.570 0.833 20 0 HCADRP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604647356 1073840540 /nfs/dbraw/zinc/84/05/40/1073840540.db2.gz RCFPFPOJZAHBMC-HXUWFJFHSA-N 2 0 419.570 0.833 20 0 HCADRP CN1CCC([NH+]2CCC(NC(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)CC2)CC1 ZINC000604648112 1073841149 /nfs/dbraw/zinc/84/11/49/1073841149.db2.gz RWTUYBPTNCPFCE-NRFANRHFSA-N 2 0 406.619 0.966 20 0 HCADRP CN1CCC([NH+]2CCC(NC(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)CC2)CC1 ZINC000604648113 1073841231 /nfs/dbraw/zinc/84/12/31/1073841231.db2.gz RWTUYBPTNCPFCE-OAQYLSRUSA-N 2 0 406.619 0.966 20 0 HCADRP CN1CCC([NH+]2CCC(NC(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)CC1 ZINC000604648138 1073841254 /nfs/dbraw/zinc/84/12/54/1073841254.db2.gz VPMUOQQOFIQOGH-FQEVSTJZSA-N 2 0 422.618 0.251 20 0 HCADRP CN1CCC([NH+]2CCC(NC(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)CC1 ZINC000604648139 1073841113 /nfs/dbraw/zinc/84/11/13/1073841113.db2.gz VPMUOQQOFIQOGH-HXUWFJFHSA-N 2 0 422.618 0.251 20 0 HCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000604649534 1073841591 /nfs/dbraw/zinc/84/15/91/1073841591.db2.gz LEPPQQOECBYOCK-MOPGFXCFSA-N 2 0 408.591 0.351 20 0 HCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000604649535 1073841749 /nfs/dbraw/zinc/84/17/49/1073841749.db2.gz LEPPQQOECBYOCK-OALUTQOASA-N 2 0 408.591 0.351 20 0 HCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000604649536 1073841693 /nfs/dbraw/zinc/84/16/93/1073841693.db2.gz LEPPQQOECBYOCK-RBUKOAKNSA-N 2 0 408.591 0.351 20 0 HCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000604649537 1073841534 /nfs/dbraw/zinc/84/15/34/1073841534.db2.gz LEPPQQOECBYOCK-RTBURBONSA-N 2 0 408.591 0.351 20 0 HCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604652529 1073827837 /nfs/dbraw/zinc/82/78/37/1073827837.db2.gz XWLVOEJMVXIYNR-IBGZPJMESA-N 2 0 409.575 0.337 20 0 HCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604652530 1073827812 /nfs/dbraw/zinc/82/78/12/1073827812.db2.gz XWLVOEJMVXIYNR-LJQANCHMSA-N 2 0 409.575 0.337 20 0 HCADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604653388 1073827683 /nfs/dbraw/zinc/82/76/83/1073827683.db2.gz SMOJFQFDPMNLGN-GOSISDBHSA-N 2 0 411.591 0.582 20 0 HCADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604653389 1073827771 /nfs/dbraw/zinc/82/77/71/1073827771.db2.gz SMOJFQFDPMNLGN-SFHVURJKSA-N 2 0 411.591 0.582 20 0 HCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000604653863 1073828283 /nfs/dbraw/zinc/82/82/83/1073828283.db2.gz TUACSIKLCDGFSY-IBGZPJMESA-N 2 0 408.591 0.351 20 0 HCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000604653864 1073828224 /nfs/dbraw/zinc/82/82/24/1073828224.db2.gz TUACSIKLCDGFSY-LJQANCHMSA-N 2 0 408.591 0.351 20 0 HCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000604667838 1073834368 /nfs/dbraw/zinc/83/43/68/1073834368.db2.gz LUPCEFUDFQVXQA-FQEVSTJZSA-N 2 0 409.575 0.147 20 0 HCADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604668116 1073833383 /nfs/dbraw/zinc/83/33/83/1073833383.db2.gz SHSZFYYVONQICN-FQEVSTJZSA-N 2 0 404.559 0.561 20 0 HCADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604668117 1073833529 /nfs/dbraw/zinc/83/35/29/1073833529.db2.gz SHSZFYYVONQICN-HXUWFJFHSA-N 2 0 404.559 0.561 20 0 HCADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC1 ZINC000604668248 1073832971 /nfs/dbraw/zinc/83/29/71/1073832971.db2.gz WCKKXMJKCWOGIC-LEWJYISDSA-N 2 0 422.618 0.204 20 0 HCADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC1 ZINC000604668249 1073832789 /nfs/dbraw/zinc/83/27/89/1073832789.db2.gz WCKKXMJKCWOGIC-NHCUHLMSSA-N 2 0 422.618 0.204 20 0 HCADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC1 ZINC000604668250 1073832822 /nfs/dbraw/zinc/83/28/22/1073832822.db2.gz WCKKXMJKCWOGIC-RTWAWAEBSA-N 2 0 422.618 0.204 20 0 HCADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC1 ZINC000604668251 1073832936 /nfs/dbraw/zinc/83/29/36/1073832936.db2.gz WCKKXMJKCWOGIC-SFTDATJTSA-N 2 0 422.618 0.204 20 0 HCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000604668491 1073832228 /nfs/dbraw/zinc/83/22/28/1073832228.db2.gz DAOBPWKEQSDFIR-NRFANRHFSA-N 2 0 423.602 0.537 20 0 HCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000604668492 1073832287 /nfs/dbraw/zinc/83/22/87/1073832287.db2.gz DAOBPWKEQSDFIR-OAQYLSRUSA-N 2 0 423.602 0.537 20 0 HCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604668493 1073832376 /nfs/dbraw/zinc/83/23/76/1073832376.db2.gz DERWJGFILAJQII-IBGZPJMESA-N 2 0 410.607 0.060 20 0 HCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604668494 1073832439 /nfs/dbraw/zinc/83/24/39/1073832439.db2.gz DERWJGFILAJQII-LJQANCHMSA-N 2 0 410.607 0.060 20 0 HCADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)c1 ZINC000604668853 1073835584 /nfs/dbraw/zinc/83/55/84/1073835584.db2.gz MMBAPIKKSMANJD-GOSISDBHSA-N 2 0 418.542 0.328 20 0 HCADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)c1 ZINC000604668854 1073835675 /nfs/dbraw/zinc/83/56/75/1073835675.db2.gz MMBAPIKKSMANJD-SFHVURJKSA-N 2 0 418.542 0.328 20 0 HCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000604681754 1073845104 /nfs/dbraw/zinc/84/51/04/1073845104.db2.gz GOARAWJCAZDWGR-IBGZPJMESA-N 2 0 417.554 0.804 20 0 HCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000604681755 1073845032 /nfs/dbraw/zinc/84/50/32/1073845032.db2.gz GOARAWJCAZDWGR-LJQANCHMSA-N 2 0 417.554 0.804 20 0 HCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604682160 1073846655 /nfs/dbraw/zinc/84/66/55/1073846655.db2.gz YJXCAXMIHYDMGZ-IBGZPJMESA-N 2 0 417.554 0.804 20 0 HCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604682161 1073846577 /nfs/dbraw/zinc/84/65/77/1073846577.db2.gz YJXCAXMIHYDMGZ-LJQANCHMSA-N 2 0 417.554 0.804 20 0 HCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604682483 1073846138 /nfs/dbraw/zinc/84/61/38/1073846138.db2.gz MVHMRBDDJJINQW-GOSISDBHSA-N 2 0 417.554 0.934 20 0 HCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604682484 1073846178 /nfs/dbraw/zinc/84/61/78/1073846178.db2.gz MVHMRBDDJJINQW-SFHVURJKSA-N 2 0 417.554 0.934 20 0 HCADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604682575 1073845458 /nfs/dbraw/zinc/84/54/58/1073845458.db2.gz PUEDCCWQNKQIDF-FQEVSTJZSA-N 2 0 401.555 0.968 20 0 HCADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604682576 1073845518 /nfs/dbraw/zinc/84/55/18/1073845518.db2.gz PUEDCCWQNKQIDF-HXUWFJFHSA-N 2 0 401.555 0.968 20 0 HCADRP O=S1(=O)C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H](N2CCOCC2)C1 ZINC000604764672 1073855809 /nfs/dbraw/zinc/85/58/09/1073855809.db2.gz BQNHRRKDOIPKKS-LEWJYISDSA-N 2 0 423.579 0.749 20 0 HCADRP O=S1(=O)C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H](N2CCOCC2)C1 ZINC000604764677 1073856168 /nfs/dbraw/zinc/85/61/68/1073856168.db2.gz BQNHRRKDOIPKKS-NHCUHLMSSA-N 2 0 423.579 0.749 20 0 HCADRP O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000604764678 1073856147 /nfs/dbraw/zinc/85/61/47/1073856147.db2.gz BQNHRRKDOIPKKS-RTWAWAEBSA-N 2 0 423.579 0.749 20 0 HCADRP O=S1(=O)C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](N2CCOCC2)C1 ZINC000604764679 1073856210 /nfs/dbraw/zinc/85/62/10/1073856210.db2.gz BQNHRRKDOIPKKS-SFTDATJTSA-N 2 0 423.579 0.749 20 0 HCADRP CC1(C)C[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CCCOC(C)(C)C3)CC2)CCCO1 ZINC000604999741 1073878036 /nfs/dbraw/zinc/87/80/36/1073878036.db2.gz LYDGKSJBXJYKCR-UHFFFAOYSA-N 2 0 424.586 0.659 20 0 HCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000605063425 1073880070 /nfs/dbraw/zinc/88/00/70/1073880070.db2.gz FTSHVPYJCQBFCT-UHFFFAOYSA-N 2 0 403.527 0.643 20 0 HCADRP CC(=O)NC[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000605225225 1073936521 /nfs/dbraw/zinc/93/65/21/1073936521.db2.gz YUXTYUITJSUJHA-IBGZPJMESA-N 2 0 404.515 0.140 20 0 HCADRP CC(=O)NC[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000605225226 1073936667 /nfs/dbraw/zinc/93/66/67/1073936667.db2.gz YUXTYUITJSUJHA-LJQANCHMSA-N 2 0 404.515 0.140 20 0 HCADRP CC[NH+](CC)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000605239841 1073912649 /nfs/dbraw/zinc/91/26/49/1073912649.db2.gz ZJZWTUOJJNILMT-UHFFFAOYSA-N 2 0 403.527 0.861 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000605239988 1073911516 /nfs/dbraw/zinc/91/15/16/1073911516.db2.gz MKEBEPCOOXHONZ-IBGZPJMESA-N 2 0 415.538 0.923 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000605239989 1073911732 /nfs/dbraw/zinc/91/17/32/1073911732.db2.gz MKEBEPCOOXHONZ-LJQANCHMSA-N 2 0 415.538 0.923 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000605240149 1073911884 /nfs/dbraw/zinc/91/18/84/1073911884.db2.gz ABBNXDFTBKGFNE-HNNXBMFYSA-N 2 0 403.483 0.695 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000605240150 1073911961 /nfs/dbraw/zinc/91/19/61/1073911961.db2.gz ABBNXDFTBKGFNE-OAHLLOKOSA-N 2 0 403.483 0.695 20 0 HCADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC[NH+]3CCCC3)c2)CC1 ZINC000605240518 1073914533 /nfs/dbraw/zinc/91/45/33/1073914533.db2.gz GZHYJDYMZHRIQR-UHFFFAOYSA-N 2 0 401.511 0.534 20 0 HCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1)C1CC1 ZINC000605242263 1073917158 /nfs/dbraw/zinc/91/71/58/1073917158.db2.gz SLGBSVAERYDUOY-IBGZPJMESA-N 2 0 415.538 0.859 20 0 HCADRP C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1)C1CC1 ZINC000605242264 1073917122 /nfs/dbraw/zinc/91/71/22/1073917122.db2.gz SLGBSVAERYDUOY-LJQANCHMSA-N 2 0 415.538 0.859 20 0 HCADRP C[NH+](C)CCn1c2cc(NC(=O)C(=O)NC[C@@H](C3CC3)[NH+](C)C)ccc2oc1=O ZINC000605242337 1073917053 /nfs/dbraw/zinc/91/70/53/1073917053.db2.gz XXILDRJWUQDAMG-INIZCTEOSA-N 2 0 403.483 0.551 20 0 HCADRP C[NH+](C)CCn1c2cc(NC(=O)C(=O)NC[C@H](C3CC3)[NH+](C)C)ccc2oc1=O ZINC000605242338 1073917835 /nfs/dbraw/zinc/91/78/35/1073917835.db2.gz XXILDRJWUQDAMG-MRXNPFEDSA-N 2 0 403.483 0.551 20 0 HCADRP C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[NH+](C)CC1 ZINC000605243242 1073917673 /nfs/dbraw/zinc/91/76/73/1073917673.db2.gz MJHZWEUUCJXWJJ-INIZCTEOSA-N 2 0 401.511 0.613 20 0 HCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[NH+](C)CC1 ZINC000605243243 1073918094 /nfs/dbraw/zinc/91/80/94/1073918094.db2.gz MJHZWEUUCJXWJJ-MRXNPFEDSA-N 2 0 401.511 0.613 20 0 HCADRP C[N@H+](CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[NH+](C)CC1)C1CC1 ZINC000605243679 1073919166 /nfs/dbraw/zinc/91/91/66/1073919166.db2.gz RUKFHQDZSSZWHJ-UHFFFAOYSA-N 2 0 401.511 0.613 20 0 HCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000605246799 1073921053 /nfs/dbraw/zinc/92/10/53/1073921053.db2.gz OUJWYFVITHHUAZ-AWEZNQCLSA-N 2 0 405.499 0.941 20 0 HCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000605246800 1073920695 /nfs/dbraw/zinc/92/06/95/1073920695.db2.gz OUJWYFVITHHUAZ-CQSZACIVSA-N 2 0 405.499 0.941 20 0 HCADRP CC[N@H+](CCNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)C1CC1 ZINC000605247408 1073923617 /nfs/dbraw/zinc/92/36/17/1073923617.db2.gz MKHNOPKHIGMXQW-UHFFFAOYSA-N 2 0 403.483 0.695 20 0 HCADRP CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000605247667 1073922651 /nfs/dbraw/zinc/92/26/51/1073922651.db2.gz DFHYATYVHBQCDG-UHFFFAOYSA-N 2 0 403.527 0.779 20 0 HCADRP CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[NH+](C)CC1 ZINC000605247744 1073922751 /nfs/dbraw/zinc/92/27/51/1073922751.db2.gz PYQXXESEXPFQPB-UHFFFAOYSA-N 2 0 403.527 0.859 20 0 HCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000605248325 1073925498 /nfs/dbraw/zinc/92/54/98/1073925498.db2.gz HRYBNOIIYOFOOI-FQEVSTJZSA-N 2 0 417.554 0.600 20 0 HCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000605248326 1073925586 /nfs/dbraw/zinc/92/55/86/1073925586.db2.gz HRYBNOIIYOFOOI-HXUWFJFHSA-N 2 0 417.554 0.600 20 0 HCADRP C[C@@H](CNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)[N@H+](C)C1CC1 ZINC000605249543 1073926511 /nfs/dbraw/zinc/92/65/11/1073926511.db2.gz LYCYOVIVPPVGLQ-HNNXBMFYSA-N 2 0 415.538 0.921 20 0 HCADRP C[C@H](CNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)[N@H+](C)C1CC1 ZINC000605249544 1073926301 /nfs/dbraw/zinc/92/63/01/1073926301.db2.gz LYCYOVIVPPVGLQ-OAHLLOKOSA-N 2 0 415.538 0.921 20 0 HCADRP C[C@H](CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[N@H+](C)C1CC1 ZINC000605249545 1073926710 /nfs/dbraw/zinc/92/67/10/1073926710.db2.gz MCTRGUGGYJLSOG-CYBMUJFWSA-N 2 0 403.483 0.694 20 0 HCADRP C[C@@H](CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[N@H+](C)C1CC1 ZINC000605249546 1073926597 /nfs/dbraw/zinc/92/65/97/1073926597.db2.gz MCTRGUGGYJLSOG-ZDUSSCGKSA-N 2 0 403.483 0.694 20 0 HCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000605403828 1073987807 /nfs/dbraw/zinc/98/78/07/1073987807.db2.gz LIGMXNUWESQEHJ-DENIHFKCSA-N 2 0 402.539 0.682 20 0 HCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000605403829 1073988003 /nfs/dbraw/zinc/98/80/03/1073988003.db2.gz LIGMXNUWESQEHJ-KNQAVFIVSA-N 2 0 402.539 0.682 20 0 HCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000605403830 1073988080 /nfs/dbraw/zinc/98/80/80/1073988080.db2.gz LIGMXNUWESQEHJ-SIKLNZKXSA-N 2 0 402.539 0.682 20 0 HCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000605403831 1073987669 /nfs/dbraw/zinc/98/76/69/1073987669.db2.gz LIGMXNUWESQEHJ-UGKGYDQZSA-N 2 0 402.539 0.682 20 0 HCADRP C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)ccc2oc1=O ZINC000605430739 1074005135 /nfs/dbraw/zinc/00/51/35/1074005135.db2.gz WIKFMYSRELASKZ-UHFFFAOYSA-N 2 0 405.499 0.799 20 0 HCADRP C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[NH+](C)CC2)C1 ZINC000605431355 1074003310 /nfs/dbraw/zinc/00/33/10/1074003310.db2.gz AIFZJKTYUDIHSC-KRWDZBQOSA-N 2 0 415.538 0.861 20 0 HCADRP C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[NH+](C)CC2)C1 ZINC000605431356 1074003142 /nfs/dbraw/zinc/00/31/42/1074003142.db2.gz AIFZJKTYUDIHSC-QGZVFWFLSA-N 2 0 415.538 0.861 20 0 HCADRP C[NH+](C)CCn1c2cc(NC(=O)C(=O)NC[C@@H]3CCC[N@H+](C)C3)ccc2oc1=O ZINC000605431377 1074003125 /nfs/dbraw/zinc/00/31/25/1074003125.db2.gz CDNWGKFAIJVSCC-AWEZNQCLSA-N 2 0 403.483 0.553 20 0 HCADRP C[NH+](C)CCn1c2cc(NC(=O)C(=O)NC[C@H]3CCC[N@H+](C)C3)ccc2oc1=O ZINC000605431378 1074002941 /nfs/dbraw/zinc/00/29/41/1074002941.db2.gz CDNWGKFAIJVSCC-CQSZACIVSA-N 2 0 403.483 0.553 20 0 HCADRP C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000605431603 1073994033 /nfs/dbraw/zinc/99/40/33/1073994033.db2.gz VSWHBKKQULSQRE-KRWDZBQOSA-N 2 0 415.538 0.780 20 0 HCADRP C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000605431604 1073994149 /nfs/dbraw/zinc/99/41/49/1073994149.db2.gz VSWHBKKQULSQRE-QGZVFWFLSA-N 2 0 415.538 0.780 20 0 HCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000605607505 1074025886 /nfs/dbraw/zinc/02/58/86/1074025886.db2.gz JEHCSXRKJOGGID-GOSISDBHSA-N 2 0 407.559 0.437 20 0 HCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000605607509 1074026051 /nfs/dbraw/zinc/02/60/51/1074026051.db2.gz JEHCSXRKJOGGID-SFHVURJKSA-N 2 0 407.559 0.437 20 0 HCADRP Cc1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1S(N)(=O)=O ZINC000605661664 1074029317 /nfs/dbraw/zinc/02/93/17/1074029317.db2.gz QRVSYTTYGSUJRS-UHFFFAOYSA-N 2 0 417.535 0.980 20 0 HCADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000605880551 1074042162 /nfs/dbraw/zinc/04/21/62/1074042162.db2.gz KXAMJESSQFUJRQ-GOSISDBHSA-N 2 0 405.547 0.399 20 0 HCADRP COCC[N@@H+]1CC[C@H](NC(=O)NCc2cccc(C[NH+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000605883763 1074035225 /nfs/dbraw/zinc/03/52/25/1074035225.db2.gz PDCPTEFNSSOJII-PMACEKPBSA-N 2 0 417.554 0.904 20 0 HCADRP COCC[N@@H+]1CC[C@H](NC(=O)NCc2cccc(C[NH+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000605883784 1074035112 /nfs/dbraw/zinc/03/51/12/1074035112.db2.gz PDCPTEFNSSOJII-UXHICEINSA-N 2 0 417.554 0.904 20 0 HCADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(C[NH+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000605883796 1074034377 /nfs/dbraw/zinc/03/43/77/1074034377.db2.gz PDCPTEFNSSOJII-VQTJNVASSA-N 2 0 417.554 0.904 20 0 HCADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(C[NH+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000605883803 1074034493 /nfs/dbraw/zinc/03/44/93/1074034493.db2.gz PDCPTEFNSSOJII-WOJBJXKFSA-N 2 0 417.554 0.904 20 0 HCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605966355 1074050941 /nfs/dbraw/zinc/05/09/41/1074050941.db2.gz COXPPPMLNDTHSN-IBGZPJMESA-N 2 0 409.575 0.683 20 0 HCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605966358 1074050959 /nfs/dbraw/zinc/05/09/59/1074050959.db2.gz COXPPPMLNDTHSN-LJQANCHMSA-N 2 0 409.575 0.683 20 0 HCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605967327 1074051240 /nfs/dbraw/zinc/05/12/40/1074051240.db2.gz FHFURWWOCBPQJW-HKUYNNGSSA-N 2 0 409.575 0.729 20 0 HCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605967328 1074051558 /nfs/dbraw/zinc/05/15/58/1074051558.db2.gz FHFURWWOCBPQJW-IEBWSBKVSA-N 2 0 409.575 0.729 20 0 HCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605967329 1074051274 /nfs/dbraw/zinc/05/12/74/1074051274.db2.gz FHFURWWOCBPQJW-MJGOQNOKSA-N 2 0 409.575 0.729 20 0 HCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605967331 1074051525 /nfs/dbraw/zinc/05/15/25/1074051525.db2.gz FHFURWWOCBPQJW-PKOBYXMFSA-N 2 0 409.575 0.729 20 0 HCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000605973011 1074045902 /nfs/dbraw/zinc/04/59/02/1074045902.db2.gz JIGPSLVZMWUMSA-UHFFFAOYSA-N 2 0 409.575 0.683 20 0 HCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605977217 1074046581 /nfs/dbraw/zinc/04/65/81/1074046581.db2.gz OLOYDASBQUNCHN-AZUAARDMSA-N 2 0 409.575 0.193 20 0 HCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605977221 1074046485 /nfs/dbraw/zinc/04/64/85/1074046485.db2.gz OLOYDASBQUNCHN-ICSRJNTNSA-N 2 0 409.575 0.193 20 0 HCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605977223 1074046439 /nfs/dbraw/zinc/04/64/39/1074046439.db2.gz OLOYDASBQUNCHN-QUCCMNQESA-N 2 0 409.575 0.193 20 0 HCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605977225 1074046660 /nfs/dbraw/zinc/04/66/60/1074046660.db2.gz OLOYDASBQUNCHN-UYAOXDASSA-N 2 0 409.575 0.193 20 0 HCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605978460 1074046911 /nfs/dbraw/zinc/04/69/11/1074046911.db2.gz ZMZATMLYAKDBMX-FQEVSTJZSA-N 2 0 409.575 0.147 20 0 HCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605978461 1074047059 /nfs/dbraw/zinc/04/70/59/1074047059.db2.gz ZMZATMLYAKDBMX-HXUWFJFHSA-N 2 0 409.575 0.147 20 0 HCADRP CCn1cc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1=O ZINC000606060105 1074093780 /nfs/dbraw/zinc/09/37/80/1074093780.db2.gz OAFVTVPCNDFDNM-UHFFFAOYSA-N 2 0 412.494 0.530 20 0 HCADRP CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000606082045 1074088955 /nfs/dbraw/zinc/08/89/55/1074088955.db2.gz SQZBPADLKUWGSP-GOSISDBHSA-N 2 0 405.543 0.708 20 0 HCADRP CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000606082046 1074088861 /nfs/dbraw/zinc/08/88/61/1074088861.db2.gz SQZBPADLKUWGSP-SFHVURJKSA-N 2 0 405.543 0.708 20 0 HCADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCOCC2)cc1 ZINC000606085826 1074090764 /nfs/dbraw/zinc/09/07/64/1074090764.db2.gz BNGOQRDYVFWCAT-UHFFFAOYSA-N 2 0 419.526 0.742 20 0 HCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000606106211 1074119101 /nfs/dbraw/zinc/11/91/01/1074119101.db2.gz PCRLIYKEEZENMX-UHFFFAOYSA-N 2 0 405.543 0.839 20 0 HCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCCNc3cc[nH+]cc3)cc2)CC1 ZINC000606107833 1074119752 /nfs/dbraw/zinc/11/97/52/1074119752.db2.gz XKOAZLASHCBEGD-UHFFFAOYSA-N 2 0 410.522 0.808 20 0 HCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000606107914 1074119070 /nfs/dbraw/zinc/11/90/70/1074119070.db2.gz HAPXNKWWWBWICS-INIZCTEOSA-N 2 0 403.527 0.765 20 0 HCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)c1 ZINC000606107915 1074119151 /nfs/dbraw/zinc/11/91/51/1074119151.db2.gz HAPXNKWWWBWICS-MRXNPFEDSA-N 2 0 403.527 0.765 20 0 HCADRP C[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC1 ZINC000606115142 1074126931 /nfs/dbraw/zinc/12/69/31/1074126931.db2.gz AOSKOJXNEIFYFV-UHFFFAOYSA-N 2 0 415.538 0.780 20 0 HCADRP C[NH+]1CCC(CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000606115607 1074128184 /nfs/dbraw/zinc/12/81/84/1074128184.db2.gz RIVCYXGXDPZTFG-UHFFFAOYSA-N 2 0 415.538 0.861 20 0 HCADRP C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCC3CC[NH+](C)CC3)ccc2oc1=O ZINC000606115764 1074128182 /nfs/dbraw/zinc/12/81/82/1074128182.db2.gz YAHZXRIVEUNWFC-UHFFFAOYSA-N 2 0 403.483 0.553 20 0 HCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000606120746 1074100012 /nfs/dbraw/zinc/10/00/12/1074100012.db2.gz DMFROKNKFXDKRG-IBGZPJMESA-N 2 0 415.538 0.719 20 0 HCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000606120750 1074100363 /nfs/dbraw/zinc/10/03/63/1074100363.db2.gz DMFROKNKFXDKRG-LJQANCHMSA-N 2 0 415.538 0.719 20 0 HCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000606122439 1074105775 /nfs/dbraw/zinc/10/57/75/1074105775.db2.gz WAHAOKGRGGKYQY-INIZCTEOSA-N 2 0 405.499 0.151 20 0 HCADRP Cc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)nc2c1c(=O)n(C)c(=O)n2C ZINC000606371156 1074166924 /nfs/dbraw/zinc/16/69/24/1074166924.db2.gz VTQYRNUNTLMNEA-UHFFFAOYSA-N 2 0 418.542 0.286 20 0 HCADRP Cn1cc(C(=O)NCC2CC[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)cn1 ZINC000606432973 1074175182 /nfs/dbraw/zinc/17/51/82/1074175182.db2.gz GXBLFJMLOQIKKU-UHFFFAOYSA-N 2 0 402.543 0.605 20 0 HCADRP CCO[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CCC[C@H](OCC)C3)CC2)C1 ZINC000606438710 1074177210 /nfs/dbraw/zinc/17/72/10/1074177210.db2.gz IJURNHVZUSYWQM-BGYRXZFFSA-N 2 0 424.586 0.659 20 0 HCADRP CCO[C@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CCC[C@H](OCC)C3)CC2)C1 ZINC000606438711 1074177428 /nfs/dbraw/zinc/17/74/28/1074177428.db2.gz IJURNHVZUSYWQM-PMACEKPBSA-N 2 0 424.586 0.659 20 0 HCADRP CCO[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CCC[C@@H](OCC)C3)CC2)C1 ZINC000606438712 1074177563 /nfs/dbraw/zinc/17/75/63/1074177563.db2.gz IJURNHVZUSYWQM-WOJBJXKFSA-N 2 0 424.586 0.659 20 0 HCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000606504603 1074190153 /nfs/dbraw/zinc/19/01/53/1074190153.db2.gz UIMAYZIYVVHTQB-IBGZPJMESA-N 2 0 418.586 0.704 20 0 HCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000606504604 1074190071 /nfs/dbraw/zinc/19/00/71/1074190071.db2.gz UIMAYZIYVVHTQB-LJQANCHMSA-N 2 0 418.586 0.704 20 0 HCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H](C)C(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000606539335 1074189787 /nfs/dbraw/zinc/18/97/87/1074189787.db2.gz GOSBJRQFCRVIFW-GOSISDBHSA-N 2 0 423.602 0.626 20 0 HCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000606539336 1074189636 /nfs/dbraw/zinc/18/96/36/1074189636.db2.gz GOSBJRQFCRVIFW-SFHVURJKSA-N 2 0 423.602 0.626 20 0 HCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000606539347 1074189390 /nfs/dbraw/zinc/18/93/90/1074189390.db2.gz HKXPSGBIEIQTMV-UHFFFAOYSA-N 2 0 409.575 0.237 20 0 HCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000606539666 1074190376 /nfs/dbraw/zinc/19/03/76/1074190376.db2.gz ZUXKJHIXSXHTCW-HKUYNNGSSA-N 2 0 423.602 0.659 20 0 HCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000606539667 1074190207 /nfs/dbraw/zinc/19/02/07/1074190207.db2.gz ZUXKJHIXSXHTCW-IEBWSBKVSA-N 2 0 423.602 0.659 20 0 HCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000606539669 1074190127 /nfs/dbraw/zinc/19/01/27/1074190127.db2.gz ZUXKJHIXSXHTCW-PKOBYXMFSA-N 2 0 423.602 0.659 20 0 HCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000606704728 1074205278 /nfs/dbraw/zinc/20/52/78/1074205278.db2.gz GKJXHPFETHJVLK-IBGZPJMESA-N 2 0 409.575 0.731 20 0 HCADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000606704729 1074205457 /nfs/dbraw/zinc/20/54/57/1074205457.db2.gz GKJXHPFETHJVLK-LJQANCHMSA-N 2 0 409.575 0.731 20 0 HCADRP CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CC1 ZINC000606720258 1074215933 /nfs/dbraw/zinc/21/59/33/1074215933.db2.gz STCQBYFHDVXRIW-UHFFFAOYSA-N 2 0 405.543 0.628 20 0 HCADRP O=C(COCC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000606878467 1074245796 /nfs/dbraw/zinc/24/57/96/1074245796.db2.gz JITSFAOWXIFDPT-BGYRXZFFSA-N 2 0 406.571 0.892 20 0 HCADRP O=C(COCC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000606878479 1074245869 /nfs/dbraw/zinc/24/58/69/1074245869.db2.gz JITSFAOWXIFDPT-PMACEKPBSA-N 2 0 406.571 0.892 20 0 HCADRP O=C(COCC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000606878480 1074245753 /nfs/dbraw/zinc/24/57/53/1074245753.db2.gz JITSFAOWXIFDPT-WOJBJXKFSA-N 2 0 406.571 0.892 20 0 HCADRP OCC[NH+]1CCCN(c2nc(N3CCC[N@@H+](CCO)CC3)nc3ccccc32)CC1 ZINC000606892938 1074244160 /nfs/dbraw/zinc/24/41/60/1074244160.db2.gz TVSSAIPSXPBDDJ-UHFFFAOYSA-N 2 0 414.554 0.639 20 0 HCADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000606997289 1074253845 /nfs/dbraw/zinc/25/38/45/1074253845.db2.gz NMDHBZULBGBGMU-UHFFFAOYSA-N 2 0 419.526 0.478 20 0 HCADRP CS(=O)(=O)N1CCC[NH+](CCCCC[N@H+]2CCCN(S(C)(=O)=O)CC2)CC1 ZINC000607150614 1074277775 /nfs/dbraw/zinc/27/77/75/1074277775.db2.gz TXIRUXUFRFNEMW-UHFFFAOYSA-N 2 0 424.633 0.091 20 0 HCADRP CS(=O)(=O)N[C@@H]1CCC[NH+](CCCCC[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000607151129 1074277648 /nfs/dbraw/zinc/27/76/48/1074277648.db2.gz FVIBEFXMMZFEBQ-CALCHBBNSA-N 2 0 424.633 0.184 20 0 HCADRP CS(=O)(=O)N[C@@H]1CCC[NH+](CCCCC[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000607151130 1074277713 /nfs/dbraw/zinc/27/77/13/1074277713.db2.gz FVIBEFXMMZFEBQ-IAGOWNOFSA-N 2 0 424.633 0.184 20 0 HCADRP CS(=O)(=O)N[C@H]1CCC[NH+](CCCCC[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000607151131 1074277859 /nfs/dbraw/zinc/27/78/59/1074277859.db2.gz FVIBEFXMMZFEBQ-IRXDYDNUSA-N 2 0 424.633 0.184 20 0 HCADRP C[N@H+](CCCO)C1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000607229227 1074288200 /nfs/dbraw/zinc/28/82/00/1074288200.db2.gz LMPOFKOGCBSRIJ-UHFFFAOYSA-N 2 0 404.559 0.822 20 0 HCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000607229886 1074288232 /nfs/dbraw/zinc/28/82/32/1074288232.db2.gz BOKMQLQXPNXYNK-UHFFFAOYSA-N 2 0 419.979 0.753 20 0 HCADRP C[N@H+](CCCO)C1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000607230479 1074288156 /nfs/dbraw/zinc/28/81/56/1074288156.db2.gz ODLHYVKIHNWFDG-UHFFFAOYSA-N 2 0 404.559 0.822 20 0 HCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000607239676 1074289660 /nfs/dbraw/zinc/28/96/60/1074289660.db2.gz OKQYLPHYXISHDE-UHFFFAOYSA-N 2 0 419.574 0.255 20 0 HCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000607239921 1074289775 /nfs/dbraw/zinc/28/97/75/1074289775.db2.gz OBXSBEZGXWTTON-FQEVSTJZSA-N 2 0 404.515 0.376 20 0 HCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000607239929 1074289844 /nfs/dbraw/zinc/28/98/44/1074289844.db2.gz OBXSBEZGXWTTON-HXUWFJFHSA-N 2 0 404.515 0.376 20 0 HCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCC([N@H+](C)CCCO)CC2)c1 ZINC000607240558 1074289786 /nfs/dbraw/zinc/28/97/86/1074289786.db2.gz MIJBREDDLOFIMK-UHFFFAOYSA-N 2 0 419.570 0.966 20 0 HCADRP COc1ccc(CN2CC[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2=O)cc1 ZINC000607245374 1074291008 /nfs/dbraw/zinc/29/10/08/1074291008.db2.gz RPRIGQKLIXNZBX-IBGZPJMESA-N 2 0 405.543 0.931 20 0 HCADRP COc1ccc(CN2CC[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2=O)cc1 ZINC000607245378 1074291085 /nfs/dbraw/zinc/29/10/85/1074291085.db2.gz RPRIGQKLIXNZBX-LJQANCHMSA-N 2 0 405.543 0.931 20 0 HCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC3(O)CC[NH+](C)CC3)c(C)c2)CC1 ZINC000607269284 1074300377 /nfs/dbraw/zinc/30/03/77/1074300377.db2.gz AQJQVIDMWRESQT-UHFFFAOYSA-N 2 0 417.554 0.648 20 0 HCADRP C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000607269839 1074300730 /nfs/dbraw/zinc/30/07/30/1074300730.db2.gz WLPLBWOSANQASM-UHFFFAOYSA-N 2 0 420.579 0.789 20 0 HCADRP CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)cc1 ZINC000607269944 1074300745 /nfs/dbraw/zinc/30/07/45/1074300745.db2.gz ZUJHLSIRTROQCY-UHFFFAOYSA-N 2 0 406.527 0.919 20 0 HCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)cc1Cl ZINC000607270020 1074300766 /nfs/dbraw/zinc/30/07/66/1074300766.db2.gz UECIZSBQNCWDML-UHFFFAOYSA-N 2 0 412.918 0.792 20 0 HCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000607285153 1074307065 /nfs/dbraw/zinc/30/70/65/1074307065.db2.gz LKJBWBFKVOXDOC-IBGZPJMESA-N 2 0 416.570 0.653 20 0 HCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000607285156 1074307352 /nfs/dbraw/zinc/30/73/52/1074307352.db2.gz LKJBWBFKVOXDOC-LJQANCHMSA-N 2 0 416.570 0.653 20 0 HCADRP C[NH+]1CCN(C(C)(C)CNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000607406162 1074327668 /nfs/dbraw/zinc/32/76/68/1074327668.db2.gz ZXFWOLBDHURQEP-JOCHJYFZSA-N 2 0 403.571 0.949 20 0 HCADRP C[NH+]1CCN(C(C)(C)CNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000607406163 1074327837 /nfs/dbraw/zinc/32/78/37/1074327837.db2.gz ZXFWOLBDHURQEP-QFIPXVFZSA-N 2 0 403.571 0.949 20 0 HCADRP CN1CC[NH+](CCCCNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000607415785 1074323623 /nfs/dbraw/zinc/32/36/23/1074323623.db2.gz CRZYAHIKZNRGCR-JOCHJYFZSA-N 2 0 403.571 0.950 20 0 HCADRP CN1CC[NH+](CCCCNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000607415789 1074323947 /nfs/dbraw/zinc/32/39/47/1074323947.db2.gz CRZYAHIKZNRGCR-QFIPXVFZSA-N 2 0 403.571 0.950 20 0 HCADRP O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000607428097 1074326177 /nfs/dbraw/zinc/32/61/77/1074326177.db2.gz GRHFSXUYOKIANB-JOCHJYFZSA-N 2 0 420.473 0.959 20 0 HCADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000607753860 1074364606 /nfs/dbraw/zinc/36/46/06/1074364606.db2.gz AGLSVKNJDIHKTR-AEFFLSMTSA-N 2 0 423.602 0.515 20 0 HCADRP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000607753861 1074364869 /nfs/dbraw/zinc/36/48/69/1074364869.db2.gz AGLSVKNJDIHKTR-FUHWJXTLSA-N 2 0 423.602 0.515 20 0 HCADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000607753862 1074364713 /nfs/dbraw/zinc/36/47/13/1074364713.db2.gz AGLSVKNJDIHKTR-SJLPKXTDSA-N 2 0 423.602 0.515 20 0 HCADRP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000607753863 1074364537 /nfs/dbraw/zinc/36/45/37/1074364537.db2.gz AGLSVKNJDIHKTR-WMZOPIPTSA-N 2 0 423.602 0.515 20 0 HCADRP CC(=O)N1CCN(C(=O)C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)CC1 ZINC000607753988 1074364853 /nfs/dbraw/zinc/36/48/53/1074364853.db2.gz QQNFXMZOJVZUKE-UHFFFAOYSA-N 2 0 409.575 0.093 20 0 HCADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000607753994 1074364594 /nfs/dbraw/zinc/36/45/94/1074364594.db2.gz RGBOYSMVUSZTGW-GGPKGHCWSA-N 2 0 412.619 0.873 20 0 HCADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C[C@H](C)O1 ZINC000607753995 1074364696 /nfs/dbraw/zinc/36/46/96/1074364696.db2.gz RGBOYSMVUSZTGW-NSHGMRRFSA-N 2 0 412.619 0.873 20 0 HCADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000607753996 1074364804 /nfs/dbraw/zinc/36/48/04/1074364804.db2.gz RGBOYSMVUSZTGW-QWFCFKBJSA-N 2 0 412.619 0.873 20 0 HCADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C[C@H](C)O1 ZINC000607753997 1074364673 /nfs/dbraw/zinc/36/46/73/1074364673.db2.gz RGBOYSMVUSZTGW-WSTZPKSXSA-N 2 0 412.619 0.873 20 0 HCADRP CCN1CCN(C(=O)[C@@H](C)[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)CC1 ZINC000607754059 1074364818 /nfs/dbraw/zinc/36/48/18/1074364818.db2.gz ZEXDJKYKPHCSMV-GOSISDBHSA-N 2 0 409.619 0.955 20 0 HCADRP CCN1CCN(C(=O)[C@H](C)[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)CC1 ZINC000607754060 1074364625 /nfs/dbraw/zinc/36/46/25/1074364625.db2.gz ZEXDJKYKPHCSMV-SFHVURJKSA-N 2 0 409.619 0.955 20 0 HCADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1=O ZINC000608013168 1074381950 /nfs/dbraw/zinc/38/19/50/1074381950.db2.gz HCJOHBBEGVHVTJ-PMACEKPBSA-N 2 0 401.555 0.501 20 0 HCADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1=O ZINC000608013170 1074381864 /nfs/dbraw/zinc/38/18/64/1074381864.db2.gz HCJOHBBEGVHVTJ-UXHICEINSA-N 2 0 401.555 0.501 20 0 HCADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1=O ZINC000608013171 1074381981 /nfs/dbraw/zinc/38/19/81/1074381981.db2.gz HCJOHBBEGVHVTJ-VQTJNVASSA-N 2 0 401.555 0.501 20 0 HCADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1=O ZINC000608013172 1074382027 /nfs/dbraw/zinc/38/20/27/1074382027.db2.gz HCJOHBBEGVHVTJ-WOJBJXKFSA-N 2 0 401.555 0.501 20 0 HCADRP CCn1nc2c(cc1=O)C[NH+](C/C=C/C[N@H+]1CCc3nn(CC)c(=O)cc3C1)CC2 ZINC000608096038 1074393327 /nfs/dbraw/zinc/39/33/27/1074393327.db2.gz IIALASOCVPJCTK-AATRIKPKSA-N 2 0 410.522 0.812 20 0 HCADRP CCn1nc2c(cc1=O)C[NH+](C/C=C\C[N@H+]1CCc3nn(CC)c(=O)cc3C1)CC2 ZINC000608096039 1074393140 /nfs/dbraw/zinc/39/31/40/1074393140.db2.gz IIALASOCVPJCTK-WAYWQWQTSA-N 2 0 410.522 0.812 20 0 HCADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)cc2)CC1 ZINC000608365473 1074427307 /nfs/dbraw/zinc/42/73/07/1074427307.db2.gz KPHBPWPETITORX-NRFANRHFSA-N 2 0 415.582 0.965 20 0 HCADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)cc2)CC1 ZINC000608365477 1074427380 /nfs/dbraw/zinc/42/73/80/1074427380.db2.gz KPHBPWPETITORX-OAQYLSRUSA-N 2 0 415.582 0.965 20 0 HCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000608515845 1074451385 /nfs/dbraw/zinc/45/13/85/1074451385.db2.gz MQORVZZUUWPYTO-INIZCTEOSA-N 2 0 403.527 0.986 20 0 HCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000608515846 1074451113 /nfs/dbraw/zinc/45/11/13/1074451113.db2.gz MQORVZZUUWPYTO-MRXNPFEDSA-N 2 0 403.527 0.986 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCN1CCCS1(=O)=O ZINC000608664472 1074481909 /nfs/dbraw/zinc/48/19/09/1074481909.db2.gz FDHRGBUDBHQYAH-KRWDZBQOSA-N 2 0 403.593 0.470 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCN1CCCS1(=O)=O ZINC000608664473 1074482082 /nfs/dbraw/zinc/48/20/82/1074482082.db2.gz FDHRGBUDBHQYAH-QGZVFWFLSA-N 2 0 403.593 0.470 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000608687356 1074487076 /nfs/dbraw/zinc/48/70/76/1074487076.db2.gz JBUAWIBDXUXABI-LEWJYISDSA-N 3 0 424.634 0.450 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000608687357 1074487250 /nfs/dbraw/zinc/48/72/50/1074487250.db2.gz JBUAWIBDXUXABI-NHCUHLMSSA-N 3 0 424.634 0.450 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000608687358 1074487120 /nfs/dbraw/zinc/48/71/20/1074487120.db2.gz JBUAWIBDXUXABI-RTWAWAEBSA-N 3 0 424.634 0.450 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000608687359 1074487431 /nfs/dbraw/zinc/48/74/31/1074487431.db2.gz JBUAWIBDXUXABI-SFTDATJTSA-N 3 0 424.634 0.450 20 0 HCADRP C[NH+](C)C1(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)Cc2ccccc2C1 ZINC000608687676 1074487160 /nfs/dbraw/zinc/48/71/60/1074487160.db2.gz NODJDUYWMMOUEX-NRFANRHFSA-N 2 0 415.582 0.791 20 0 HCADRP C[NH+](C)C1(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)Cc2ccccc2C1 ZINC000608687681 1074488320 /nfs/dbraw/zinc/48/83/20/1074488320.db2.gz NODJDUYWMMOUEX-OAQYLSRUSA-N 2 0 415.582 0.791 20 0 HCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000608688325 1074487464 /nfs/dbraw/zinc/48/74/64/1074487464.db2.gz UPZJFDUTGSTBON-FQEVSTJZSA-N 2 0 423.602 0.679 20 0 HCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000608688326 1074487949 /nfs/dbraw/zinc/48/79/49/1074487949.db2.gz UPZJFDUTGSTBON-HXUWFJFHSA-N 2 0 423.602 0.679 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000608698369 1074489616 /nfs/dbraw/zinc/48/96/16/1074489616.db2.gz OHNDIIAAAKLGAG-KRWDZBQOSA-N 2 0 403.531 0.629 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000608698370 1074489531 /nfs/dbraw/zinc/48/95/31/1074489531.db2.gz OHNDIIAAAKLGAG-QGZVFWFLSA-N 2 0 403.531 0.629 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000608734924 1074498007 /nfs/dbraw/zinc/49/80/07/1074498007.db2.gz FRJPEXPYRKPHCT-LMMKCTJWSA-N 2 0 419.574 0.971 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000608734928 1074498650 /nfs/dbraw/zinc/49/86/50/1074498650.db2.gz FRJPEXPYRKPHCT-SCTDSRPQSA-N 2 0 419.574 0.971 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000608734930 1074498476 /nfs/dbraw/zinc/49/84/76/1074498476.db2.gz FRJPEXPYRKPHCT-YQVWRLOYSA-N 2 0 419.574 0.971 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000608734931 1074498669 /nfs/dbraw/zinc/49/86/69/1074498669.db2.gz FRJPEXPYRKPHCT-ZHALLVOQSA-N 2 0 419.574 0.971 20 0 HCADRP C[C@@H]1C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C(=O)N1c1cnn(C)c1 ZINC000608735127 1074498079 /nfs/dbraw/zinc/49/80/79/1074498079.db2.gz SVEMLTNPJDBUPD-AEFFLSMTSA-N 2 0 407.563 0.829 20 0 HCADRP C[C@H]1C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C(=O)N1c1cnn(C)c1 ZINC000608735134 1074498090 /nfs/dbraw/zinc/49/80/90/1074498090.db2.gz SVEMLTNPJDBUPD-FUHWJXTLSA-N 2 0 407.563 0.829 20 0 HCADRP C[C@@H]1C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C(=O)N1c1cnn(C)c1 ZINC000608735137 1074497947 /nfs/dbraw/zinc/49/79/47/1074497947.db2.gz SVEMLTNPJDBUPD-SJLPKXTDSA-N 2 0 407.563 0.829 20 0 HCADRP C[C@H]1C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C(=O)N1c1cnn(C)c1 ZINC000608735140 1074497934 /nfs/dbraw/zinc/49/79/34/1074497934.db2.gz SVEMLTNPJDBUPD-WMZOPIPTSA-N 2 0 407.563 0.829 20 0 HCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)C2)CC1 ZINC000609289866 1078671875 /nfs/dbraw/zinc/67/18/75/1078671875.db2.gz BGDDHNLWWBYARF-FQEVSTJZSA-N 2 0 415.586 0.755 20 0 HCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)C2)CC1 ZINC000609289870 1078671858 /nfs/dbraw/zinc/67/18/58/1078671858.db2.gz BGDDHNLWWBYARF-HXUWFJFHSA-N 2 0 415.586 0.755 20 0 HCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cc(C[NH+](C)C)ccc3OC)C2)CC1 ZINC000609321104 1079209332 /nfs/dbraw/zinc/20/93/32/1079209332.db2.gz IEBAPONMGQIVIG-GOSISDBHSA-N 2 0 417.554 0.934 20 0 HCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3cc(C[NH+](C)C)ccc3OC)C2)CC1 ZINC000609321105 1079209474 /nfs/dbraw/zinc/20/94/74/1079209474.db2.gz IEBAPONMGQIVIG-SFHVURJKSA-N 2 0 417.554 0.934 20 0 HCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc(CC[NH+](C)C)cc3)C2)CC1 ZINC000609321140 1079209439 /nfs/dbraw/zinc/20/94/39/1079209439.db2.gz LLTNRDMNXCFYTC-FQEVSTJZSA-N 2 0 401.555 0.968 20 0 HCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc(CC[NH+](C)C)cc3)C2)CC1 ZINC000609321141 1079209311 /nfs/dbraw/zinc/20/93/11/1079209311.db2.gz LLTNRDMNXCFYTC-HXUWFJFHSA-N 2 0 401.555 0.968 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1=O ZINC000609321335 1079213735 /nfs/dbraw/zinc/21/37/35/1079213735.db2.gz HJHGTGYOYFTBQF-HSALFYBXSA-N 2 0 405.587 0.558 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1=O ZINC000609321336 1079213680 /nfs/dbraw/zinc/21/36/80/1079213680.db2.gz HJHGTGYOYFTBQF-SLFFLAALSA-N 2 0 405.587 0.558 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1=O ZINC000609321337 1079213526 /nfs/dbraw/zinc/21/35/26/1079213526.db2.gz HJHGTGYOYFTBQF-VAMGGRTRSA-N 2 0 405.587 0.558 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1=O ZINC000609321338 1079213708 /nfs/dbraw/zinc/21/37/08/1079213708.db2.gz HJHGTGYOYFTBQF-XUVXKRRUSA-N 2 0 405.587 0.558 20 0 HCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc(OCC[NH+](C)C)cc3)C2)CC1 ZINC000609324060 1079224479 /nfs/dbraw/zinc/22/44/79/1079224479.db2.gz REHLGBADNHEOCR-IBGZPJMESA-N 2 0 417.554 0.804 20 0 HCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc(OCC[NH+](C)C)cc3)C2)CC1 ZINC000609324062 1079224738 /nfs/dbraw/zinc/22/47/38/1079224738.db2.gz REHLGBADNHEOCR-LJQANCHMSA-N 2 0 417.554 0.804 20 0 HCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3cccc(OCC[NH+](C)C)c3)C2)CC1 ZINC000609324184 1079220186 /nfs/dbraw/zinc/22/01/86/1079220186.db2.gz WGWVBFCWXRYMLS-IBGZPJMESA-N 2 0 417.554 0.804 20 0 HCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cccc(OCC[NH+](C)C)c3)C2)CC1 ZINC000609324185 1079219904 /nfs/dbraw/zinc/21/99/04/1079219904.db2.gz WGWVBFCWXRYMLS-LJQANCHMSA-N 2 0 417.554 0.804 20 0 HCADRP COC(=O)C1CCN(C(=O)C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)CC1 ZINC000610115950 1078625844 /nfs/dbraw/zinc/62/58/44/1078625844.db2.gz KCTDGWIQDVUOGM-UHFFFAOYSA-N 2 0 424.586 0.814 20 0 HCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000616313897 1078738976 /nfs/dbraw/zinc/73/89/76/1078738976.db2.gz UXULHJVYUQELLE-UHFFFAOYSA-N 2 0 405.543 0.708 20 0 HCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000616334219 1078740943 /nfs/dbraw/zinc/74/09/43/1078740943.db2.gz NBRKFLQVQSVTAN-UHFFFAOYSA-N 2 0 405.543 0.708 20 0 HCADRP C[C@@H](CNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)[NH+]1CCCC1 ZINC000616363710 1078744168 /nfs/dbraw/zinc/74/41/68/1078744168.db2.gz GJGCNDXVNCARAL-INIZCTEOSA-N 2 0 415.538 0.923 20 0 HCADRP C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1)[NH+](C)C ZINC000616425533 1078749895 /nfs/dbraw/zinc/74/98/95/1078749895.db2.gz ZWNZJLYJPKSSDM-AWEZNQCLSA-N 2 0 423.489 0.491 20 0 HCADRP Cc1nn(C)c2ncc(NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc12 ZINC000616731912 1078767102 /nfs/dbraw/zinc/76/71/02/1078767102.db2.gz KOEIVERNPRVNEV-UHFFFAOYSA-N 2 0 403.531 0.947 20 0 HCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000616731920 1078767675 /nfs/dbraw/zinc/76/76/75/1078767675.db2.gz LJBKHNBVQNGMSB-UHFFFAOYSA-N 2 0 405.499 0.688 20 0 HCADRP CN1C(=O)c2ccc(NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc2C1=O ZINC000616732101 1078767191 /nfs/dbraw/zinc/76/71/91/1078767191.db2.gz XHVIIEHAIXEDMZ-UHFFFAOYSA-N 2 0 417.510 0.583 20 0 HCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000616831727 1078776069 /nfs/dbraw/zinc/77/60/69/1078776069.db2.gz AWIYVCDIIFPTKQ-UHFFFAOYSA-N 2 0 417.554 0.935 20 0 HCADRP CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000617886741 1078846305 /nfs/dbraw/zinc/84/63/05/1078846305.db2.gz BINSZOFLFMEOFF-GOSISDBHSA-N 2 0 401.511 0.152 20 0 HCADRP CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000617886746 1078846349 /nfs/dbraw/zinc/84/63/49/1078846349.db2.gz BINSZOFLFMEOFF-SFHVURJKSA-N 2 0 401.511 0.152 20 0 HCADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000617887225 1078847326 /nfs/dbraw/zinc/84/73/26/1078847326.db2.gz IUNHBUWQTPDEHV-GOSISDBHSA-N 2 0 401.511 0.533 20 0 HCADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000617887226 1078847241 /nfs/dbraw/zinc/84/72/41/1078847241.db2.gz IUNHBUWQTPDEHV-SFHVURJKSA-N 2 0 401.511 0.533 20 0 HCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000617887582 1078846774 /nfs/dbraw/zinc/84/67/74/1078846774.db2.gz NFVMAKNWZVYMPN-GOSISDBHSA-N 2 0 403.527 0.907 20 0 HCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000617887588 1078847312 /nfs/dbraw/zinc/84/73/12/1078847312.db2.gz NFVMAKNWZVYMPN-SFHVURJKSA-N 2 0 403.527 0.907 20 0 HCADRP CCOC1CC[NH+](CC(=O)N2CCN(C(=O)C[NH+]3CCC(OCC)CC3)CC2)CC1 ZINC000618445043 1078860557 /nfs/dbraw/zinc/86/05/57/1078860557.db2.gz ZFOAQIWDVBCQKR-UHFFFAOYSA-N 2 0 424.586 0.659 20 0 HCADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000619618036 1078919061 /nfs/dbraw/zinc/91/90/61/1078919061.db2.gz IKFAEQJFFRNCCX-FQEVSTJZSA-N 2 0 417.554 0.543 20 0 HCADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000619618037 1078918900 /nfs/dbraw/zinc/91/89/00/1078918900.db2.gz IKFAEQJFFRNCCX-HXUWFJFHSA-N 2 0 417.554 0.543 20 0 HCADRP COC(=O)c1c(F)cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1F ZINC000619833535 1078947683 /nfs/dbraw/zinc/94/76/83/1078947683.db2.gz FQUGGYCOCHTTAB-UHFFFAOYSA-N 2 0 400.426 0.642 20 0 HCADRP C[NH+](C)CCn1ccc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1 ZINC000622370151 1079107969 /nfs/dbraw/zinc/10/79/69/1079107969.db2.gz QAEWSCIVRNIROQ-UHFFFAOYSA-N 2 0 404.559 0.899 20 0 HCADRP NS(=O)(=O)c1ccc(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000623110909 1079171919 /nfs/dbraw/zinc/17/19/19/1079171919.db2.gz AEZVANHGQXVFAF-UHFFFAOYSA-N 2 0 423.564 0.662 20 0 HCADRP CN(C)S(=O)(=O)c1c[nH]c(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000623110948 1079171743 /nfs/dbraw/zinc/17/17/43/1079171743.db2.gz VSWNGXFKPOFDGU-UHFFFAOYSA-N 2 0 420.539 0.602 20 0 HCADRP Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000623110957 1079171939 /nfs/dbraw/zinc/17/19/39/1079171939.db2.gz YUGKQWPVGLEEOU-UHFFFAOYSA-N 2 0 421.523 0.881 20 0 HCADRP CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000623111437 1079176096 /nfs/dbraw/zinc/17/60/96/1079176096.db2.gz OXIVSORGSMWUGA-GOSISDBHSA-N 2 0 409.556 0.524 20 0 HCADRP CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000623111438 1079176351 /nfs/dbraw/zinc/17/63/51/1079176351.db2.gz OXIVSORGSMWUGA-SFHVURJKSA-N 2 0 409.556 0.524 20 0 HCADRP Cc1ccc(S(N)(=O)=O)cc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000623111464 1079176369 /nfs/dbraw/zinc/17/63/69/1079176369.db2.gz CNQOHFYZYGFBTM-UHFFFAOYSA-N 2 0 417.535 0.980 20 0 HCADRP O=C(CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCC(F)(F)F ZINC000623130748 1079178778 /nfs/dbraw/zinc/17/87/78/1079178778.db2.gz HWJJHBKDTGPYMW-UHFFFAOYSA-N 2 0 402.421 0.571 20 0 HCADRP COCC(=O)NC1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000623130838 1079178891 /nfs/dbraw/zinc/17/88/91/1079178891.db2.gz AZBAZKUEWGHJFS-UHFFFAOYSA-N 2 0 418.542 0.530 20 0 HCADRP CS(=O)(=O)N[C@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000623130894 1079178852 /nfs/dbraw/zinc/17/88/52/1079178852.db2.gz JLQQBXNWYSGYQG-KRWDZBQOSA-N 2 0 424.571 0.317 20 0 HCADRP CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000623130897 1079178934 /nfs/dbraw/zinc/17/89/34/1079178934.db2.gz JLQQBXNWYSGYQG-QGZVFWFLSA-N 2 0 424.571 0.317 20 0 HCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCN(c2ncccn2)CC1 ZINC000623131203 1079179009 /nfs/dbraw/zinc/17/90/09/1079179009.db2.gz KAHMHBPWHQPLNQ-UHFFFAOYSA-N 2 0 410.526 0.916 20 0 HCADRP CN(CCCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)S(C)(=O)=O ZINC000623158295 1079181526 /nfs/dbraw/zinc/18/15/26/1079181526.db2.gz KVAJYDNPCRHWCX-UHFFFAOYSA-N 2 0 412.560 0.174 20 0 HCADRP CS(=O)(=O)N1CCCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000623158313 1079181388 /nfs/dbraw/zinc/18/13/88/1079181388.db2.gz NHXNOWCRTVTSOI-UHFFFAOYSA-N 2 0 424.571 0.271 20 0 HCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000623553609 1079227717 /nfs/dbraw/zinc/22/77/17/1079227717.db2.gz NNOWEXZWPUJCIJ-UHFFFAOYSA-N 2 0 405.609 0.573 20 0 HCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000669654539 1073464069 /nfs/dbraw/zinc/46/40/69/1073464069.db2.gz KDTDRALXGRBYAH-PMACEKPBSA-N 2 0 409.575 0.147 20 0 HCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000669654540 1073463701 /nfs/dbraw/zinc/46/37/01/1073463701.db2.gz KDTDRALXGRBYAH-VQTJNVASSA-N 2 0 409.575 0.147 20 0 HCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000670503564 1078546586 /nfs/dbraw/zinc/54/65/86/1078546586.db2.gz UEEBBQWLUMENAV-PMACEKPBSA-N 2 0 401.555 0.644 20 0 HCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000670503565 1078546434 /nfs/dbraw/zinc/54/64/34/1078546434.db2.gz UEEBBQWLUMENAV-UXHICEINSA-N 2 0 401.555 0.644 20 0 HCADRP CN(C(=O)C(=O)NCC1([NH+](C)C)CCCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670509504 1078572219 /nfs/dbraw/zinc/57/22/19/1078572219.db2.gz ORXQVBJZUSIDFW-IBGZPJMESA-N 2 0 407.603 0.994 20 0 HCADRP CN(C(=O)C(=O)NCC1([NH+](C)C)CCCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670509505 1078572382 /nfs/dbraw/zinc/57/23/82/1078572382.db2.gz ORXQVBJZUSIDFW-LJQANCHMSA-N 2 0 407.603 0.994 20 0 HCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CCCCC1 ZINC000670510042 1078566551 /nfs/dbraw/zinc/56/65/51/1078566551.db2.gz YBIIEFHVNGLCGE-IBGZPJMESA-N 2 0 407.603 0.996 20 0 HCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CCCCC1 ZINC000670510043 1078566399 /nfs/dbraw/zinc/56/63/99/1078566399.db2.gz YBIIEFHVNGLCGE-LJQANCHMSA-N 2 0 407.603 0.996 20 0 HCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)[NH+](C)C)cc1OC ZINC000670533584 1078677127 /nfs/dbraw/zinc/67/71/27/1078677127.db2.gz ORYVLRDAVHQQKV-DLBZAZTESA-N 2 0 406.527 0.975 20 0 HCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)[NH+](C)C)cc1OC ZINC000670533585 1078677251 /nfs/dbraw/zinc/67/72/51/1078677251.db2.gz ORYVLRDAVHQQKV-IAGOWNOFSA-N 2 0 406.527 0.975 20 0 HCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)[NH+](C)C)cc1OC ZINC000670533586 1078677298 /nfs/dbraw/zinc/67/72/98/1078677298.db2.gz ORYVLRDAVHQQKV-IRXDYDNUSA-N 2 0 406.527 0.975 20 0 HCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)[NH+](C)C)cc1OC ZINC000670533587 1078677171 /nfs/dbraw/zinc/67/71/71/1078677171.db2.gz ORYVLRDAVHQQKV-SJORKVTESA-N 2 0 406.527 0.975 20 0 HCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1cccs1 ZINC000670535390 1078677970 /nfs/dbraw/zinc/67/79/70/1078677970.db2.gz BNMNCOAFENSFBK-DLBZAZTESA-N 2 0 407.584 0.705 20 0 HCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1cccs1 ZINC000670535391 1078677889 /nfs/dbraw/zinc/67/78/89/1078677889.db2.gz BNMNCOAFENSFBK-IAGOWNOFSA-N 2 0 407.584 0.705 20 0 HCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1cccs1 ZINC000670535392 1078677934 /nfs/dbraw/zinc/67/79/34/1078677934.db2.gz BNMNCOAFENSFBK-IRXDYDNUSA-N 2 0 407.584 0.705 20 0 HCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1cccs1 ZINC000670535393 1078678004 /nfs/dbraw/zinc/67/80/04/1078678004.db2.gz BNMNCOAFENSFBK-SJORKVTESA-N 2 0 407.584 0.705 20 0 HCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCCC3)CC2)CC1 ZINC000670535853 1078684015 /nfs/dbraw/zinc/68/40/15/1078684015.db2.gz VICRFWLJPASJHW-UHFFFAOYSA-N 2 0 407.603 0.994 20 0 HCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NC3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000670545226 1078715544 /nfs/dbraw/zinc/71/55/44/1078715544.db2.gz IYMYNLYAQPKCIP-UHFFFAOYSA-N 2 0 407.603 0.992 20 0 HCADRP CN(C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670572525 1078849221 /nfs/dbraw/zinc/84/92/21/1078849221.db2.gz RESMKVIHLRPYRB-IBGZPJMESA-N 2 0 407.603 0.994 20 0 HCADRP CN(C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670572526 1078849273 /nfs/dbraw/zinc/84/92/73/1078849273.db2.gz RESMKVIHLRPYRB-LJQANCHMSA-N 2 0 407.603 0.994 20 0 HCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000670572737 1078850479 /nfs/dbraw/zinc/85/04/79/1078850479.db2.gz DQBGFYUXMXFVAZ-UHFFFAOYSA-N 2 0 409.575 0.426 20 0 HCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000670607821 1078965721 /nfs/dbraw/zinc/96/57/21/1078965721.db2.gz SNCMWKWSKGHFKD-CTNGQTDRSA-N 2 0 415.582 0.560 20 0 HCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000670607822 1078966269 /nfs/dbraw/zinc/96/62/69/1078966269.db2.gz SNCMWKWSKGHFKD-FPOVZHCZSA-N 2 0 415.582 0.560 20 0 HCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000670607823 1078966396 /nfs/dbraw/zinc/96/63/96/1078966396.db2.gz SNCMWKWSKGHFKD-PZJWPPBQSA-N 2 0 415.582 0.560 20 0 HCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000670607824 1078966484 /nfs/dbraw/zinc/96/64/84/1078966484.db2.gz SNCMWKWSKGHFKD-TZIWHRDSSA-N 2 0 415.582 0.560 20 0 HCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)Cc1ccccc1 ZINC000670608369 1078964570 /nfs/dbraw/zinc/96/45/70/1078964570.db2.gz PSCUDFAEXDXTSE-LEWJYISDSA-N 2 0 415.582 0.514 20 0 HCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)Cc1ccccc1 ZINC000670608370 1078964599 /nfs/dbraw/zinc/96/45/99/1078964599.db2.gz PSCUDFAEXDXTSE-NHCUHLMSSA-N 2 0 415.582 0.514 20 0 HCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)Cc1ccccc1 ZINC000670608371 1078964379 /nfs/dbraw/zinc/96/43/79/1078964379.db2.gz PSCUDFAEXDXTSE-RTWAWAEBSA-N 2 0 415.582 0.514 20 0 HCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)Cc1ccccc1 ZINC000670608372 1078964140 /nfs/dbraw/zinc/96/41/40/1078964140.db2.gz PSCUDFAEXDXTSE-SFTDATJTSA-N 2 0 415.582 0.514 20 0 HCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670623474 1079025421 /nfs/dbraw/zinc/02/54/21/1079025421.db2.gz CJTVCEXYVPAIGH-LEWJYISDSA-N 2 0 413.566 0.663 20 0 HCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670623475 1079025245 /nfs/dbraw/zinc/02/52/45/1079025245.db2.gz CJTVCEXYVPAIGH-NHCUHLMSSA-N 2 0 413.566 0.663 20 0 HCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670623476 1079026008 /nfs/dbraw/zinc/02/60/08/1079026008.db2.gz CJTVCEXYVPAIGH-RTWAWAEBSA-N 2 0 413.566 0.663 20 0 HCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670623477 1079025906 /nfs/dbraw/zinc/02/59/06/1079025906.db2.gz CJTVCEXYVPAIGH-SFTDATJTSA-N 2 0 413.566 0.663 20 0 HCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000670623484 1079025696 /nfs/dbraw/zinc/02/56/96/1079025696.db2.gz FABLAIQRMGKRLC-NRFANRHFSA-N 2 0 415.582 0.911 20 0 HCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000670623485 1079025954 /nfs/dbraw/zinc/02/59/54/1079025954.db2.gz FABLAIQRMGKRLC-OAQYLSRUSA-N 2 0 415.582 0.911 20 0 HCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000670623493 1079025853 /nfs/dbraw/zinc/02/58/53/1079025853.db2.gz GAHZNQLMXQCYGY-NRFANRHFSA-N 2 0 413.566 0.521 20 0 HCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000670623494 1079025800 /nfs/dbraw/zinc/02/58/00/1079025800.db2.gz GAHZNQLMXQCYGY-OAQYLSRUSA-N 2 0 413.566 0.521 20 0 HCADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000670623588 1079031257 /nfs/dbraw/zinc/03/12/57/1079031257.db2.gz APIZJXYSZQFYCC-UHFFFAOYSA-N 2 0 401.555 0.475 20 0 HCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000670623591 1079031239 /nfs/dbraw/zinc/03/12/39/1079031239.db2.gz AYEBRGBKHPVANM-NRFANRHFSA-N 2 0 415.582 0.909 20 0 HCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000670623592 1079031383 /nfs/dbraw/zinc/03/13/83/1079031383.db2.gz AYEBRGBKHPVANM-OAQYLSRUSA-N 2 0 415.582 0.909 20 0 HCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000670623609 1079031205 /nfs/dbraw/zinc/03/12/05/1079031205.db2.gz DHJWHZJAQVXMSJ-AZUAARDMSA-N 2 0 413.566 0.662 20 0 HCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000670623610 1079031172 /nfs/dbraw/zinc/03/11/72/1079031172.db2.gz DHJWHZJAQVXMSJ-ICSRJNTNSA-N 2 0 413.566 0.662 20 0 HCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000670623611 1079031396 /nfs/dbraw/zinc/03/13/96/1079031396.db2.gz DHJWHZJAQVXMSJ-QUCCMNQESA-N 2 0 413.566 0.662 20 0 HCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000670623612 1079031305 /nfs/dbraw/zinc/03/13/05/1079031305.db2.gz DHJWHZJAQVXMSJ-UYAOXDASSA-N 2 0 413.566 0.662 20 0 HCADRP C[C@H](NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000670623707 1079031802 /nfs/dbraw/zinc/03/18/02/1079031802.db2.gz COFMGDXXFUPXNA-IBGZPJMESA-N 2 0 415.582 0.767 20 0 HCADRP C[C@@H](NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000670623708 1079031681 /nfs/dbraw/zinc/03/16/81/1079031681.db2.gz COFMGDXXFUPXNA-LJQANCHMSA-N 2 0 415.582 0.767 20 0 HCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000670628592 1079038838 /nfs/dbraw/zinc/03/88/38/1079038838.db2.gz XHSSVNQQPDZRTC-PMACEKPBSA-N 2 0 413.566 0.662 20 0 HCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000670628593 1079038931 /nfs/dbraw/zinc/03/89/31/1079038931.db2.gz XHSSVNQQPDZRTC-UXHICEINSA-N 2 0 413.566 0.662 20 0 HCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000670628594 1079038913 /nfs/dbraw/zinc/03/89/13/1079038913.db2.gz XHSSVNQQPDZRTC-VQTJNVASSA-N 2 0 413.566 0.662 20 0 HCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000670628595 1079038865 /nfs/dbraw/zinc/03/88/65/1079038865.db2.gz XHSSVNQQPDZRTC-WOJBJXKFSA-N 2 0 413.566 0.662 20 0 HCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000670628648 1079038879 /nfs/dbraw/zinc/03/88/79/1079038879.db2.gz FGPSUHXUTIQXLR-NRFANRHFSA-N 2 0 415.582 0.911 20 0 HCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000670628649 1079038816 /nfs/dbraw/zinc/03/88/16/1079038816.db2.gz FGPSUHXUTIQXLR-OAQYLSRUSA-N 2 0 415.582 0.911 20 0 HCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000670628738 1079044648 /nfs/dbraw/zinc/04/46/48/1079044648.db2.gz XLZZHMQAXLSWMD-CTNGQTDRSA-N 2 0 415.582 0.767 20 0 HCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000670628739 1079044510 /nfs/dbraw/zinc/04/45/10/1079044510.db2.gz XLZZHMQAXLSWMD-FPOVZHCZSA-N 2 0 415.582 0.767 20 0 HCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000670628740 1079044473 /nfs/dbraw/zinc/04/44/73/1079044473.db2.gz XLZZHMQAXLSWMD-PZJWPPBQSA-N 2 0 415.582 0.767 20 0 HCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000670628741 1079044964 /nfs/dbraw/zinc/04/49/64/1079044964.db2.gz XLZZHMQAXLSWMD-TZIWHRDSSA-N 2 0 415.582 0.767 20 0 HCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000670629226 1079040321 /nfs/dbraw/zinc/04/03/21/1079040321.db2.gz ULDNMRHSXGKFFF-LEWJYISDSA-N 2 0 413.566 0.616 20 0 HCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000670629227 1079040109 /nfs/dbraw/zinc/04/01/09/1079040109.db2.gz ULDNMRHSXGKFFF-NHCUHLMSSA-N 2 0 413.566 0.616 20 0 HCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000670629228 1079040235 /nfs/dbraw/zinc/04/02/35/1079040235.db2.gz ULDNMRHSXGKFFF-RTWAWAEBSA-N 2 0 413.566 0.616 20 0 HCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000670629229 1079040027 /nfs/dbraw/zinc/04/00/27/1079040027.db2.gz ULDNMRHSXGKFFF-SFTDATJTSA-N 2 0 413.566 0.616 20 0 HCADRP CC[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000670630028 1079043043 /nfs/dbraw/zinc/04/30/43/1079043043.db2.gz RPOJRKRDHNAHIG-UHFFFAOYSA-N 3 0 402.543 0.310 20 0 HCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000670663077 1079159415 /nfs/dbraw/zinc/15/94/15/1079159415.db2.gz RGAMVZIXPDNBEZ-UHFFFAOYSA-N 2 0 423.602 0.770 20 0 HCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCCCCC1 ZINC000670663280 1079158831 /nfs/dbraw/zinc/15/88/31/1079158831.db2.gz IUWXZULLCYYVMG-IBGZPJMESA-N 2 0 407.603 0.996 20 0 HCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CCCCCC1 ZINC000670663281 1079158617 /nfs/dbraw/zinc/15/86/17/1079158617.db2.gz IUWXZULLCYYVMG-LJQANCHMSA-N 2 0 407.603 0.996 20 0 HCADRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(-n2cncn2)cc1 ZINC000670664645 1079171556 /nfs/dbraw/zinc/17/15/56/1079171556.db2.gz AWVXWLRNPDMVHY-INIZCTEOSA-N 2 0 401.515 0.396 20 0 HCADRP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(-n2cncn2)cc1 ZINC000670664646 1079171702 /nfs/dbraw/zinc/17/17/02/1079171702.db2.gz AWVXWLRNPDMVHY-MRXNPFEDSA-N 2 0 401.515 0.396 20 0 HCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000670671122 1079197011 /nfs/dbraw/zinc/19/70/11/1079197011.db2.gz INRYJHGNRRXWBB-PMACEKPBSA-N 2 0 423.602 0.086 20 0 HCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000670671123 1079197099 /nfs/dbraw/zinc/19/70/99/1079197099.db2.gz INRYJHGNRRXWBB-UXHICEINSA-N 2 0 423.602 0.086 20 0 HCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000670671124 1079197135 /nfs/dbraw/zinc/19/71/35/1079197135.db2.gz INRYJHGNRRXWBB-VQTJNVASSA-N 2 0 423.602 0.086 20 0 HCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000670671125 1079196974 /nfs/dbraw/zinc/19/69/74/1079196974.db2.gz INRYJHGNRRXWBB-WOJBJXKFSA-N 2 0 423.602 0.086 20 0 HCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NCCC[NH+]3CCCCC3)CC2)CC1 ZINC000670708755 1079267887 /nfs/dbraw/zinc/26/78/87/1079267887.db2.gz FEXUTIMELJYPKZ-UHFFFAOYSA-N 2 0 407.603 0.996 20 0 HCADRP CC1CC[NH+](CCCNC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000670709308 1079258722 /nfs/dbraw/zinc/25/87/22/1079258722.db2.gz WFQBHSPGJIKZTJ-FQEVSTJZSA-N 2 0 407.603 0.852 20 0 HCADRP CC1CC[NH+](CCCNC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000670709309 1079258340 /nfs/dbraw/zinc/25/83/40/1079258340.db2.gz WFQBHSPGJIKZTJ-HXUWFJFHSA-N 2 0 407.603 0.852 20 0 HCADRP C[N@H+](CCCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000670711455 1079270722 /nfs/dbraw/zinc/27/07/22/1079270722.db2.gz ZUARWVUSWZPJEG-FQEVSTJZSA-N 2 0 415.582 0.909 20 0 HCADRP C[N@H+](CCCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000670711456 1079270872 /nfs/dbraw/zinc/27/08/72/1079270872.db2.gz ZUARWVUSWZPJEG-HXUWFJFHSA-N 2 0 415.582 0.909 20 0 HCADRP C[N@H+](CCCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)Cc1ccccc1 ZINC000670711570 1079267134 /nfs/dbraw/zinc/26/71/34/1079267134.db2.gz BYYMBZGJOPFPJK-NRFANRHFSA-N 2 0 415.582 0.863 20 0 HCADRP C[N@H+](CCCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)Cc1ccccc1 ZINC000670711571 1079267073 /nfs/dbraw/zinc/26/70/73/1079267073.db2.gz BYYMBZGJOPFPJK-OAQYLSRUSA-N 2 0 415.582 0.863 20 0 HCADRP Cc1nc(CNC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000670750704 1078658414 /nfs/dbraw/zinc/65/84/14/1078658414.db2.gz NMIUVQAPLOPNSF-UHFFFAOYSA-N 2 0 402.524 0.791 20 0 HCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000670786408 1078701450 /nfs/dbraw/zinc/70/14/50/1078701450.db2.gz VTCBLQABDZWYHZ-GOSISDBHSA-N 2 0 402.543 0.440 20 0 HCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000670786409 1078701338 /nfs/dbraw/zinc/70/13/38/1078701338.db2.gz VTCBLQABDZWYHZ-SFHVURJKSA-N 2 0 402.543 0.440 20 0 HCADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)cn2)CC1 ZINC000670786477 1078701959 /nfs/dbraw/zinc/70/19/59/1078701959.db2.gz RKBDWUJEAAMDHB-GOSISDBHSA-N 2 0 400.527 0.050 20 0 HCADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)cn2)CC1 ZINC000670786478 1078701900 /nfs/dbraw/zinc/70/19/00/1078701900.db2.gz RKBDWUJEAAMDHB-SFHVURJKSA-N 2 0 400.527 0.050 20 0 HCADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000670786547 1078700882 /nfs/dbraw/zinc/70/08/82/1078700882.db2.gz WDMYGFSBHHTYKM-MSOLQXFVSA-N 2 0 400.527 0.193 20 0 HCADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000670786548 1078700958 /nfs/dbraw/zinc/70/09/58/1078700958.db2.gz WDMYGFSBHHTYKM-QZTJIDSGSA-N 2 0 400.527 0.193 20 0 HCADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000670786549 1078700611 /nfs/dbraw/zinc/70/06/11/1078700611.db2.gz WDMYGFSBHHTYKM-ROUUACIJSA-N 2 0 400.527 0.193 20 0 HCADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000670786550 1078700667 /nfs/dbraw/zinc/70/06/67/1078700667.db2.gz WDMYGFSBHHTYKM-ZWKOTPCHSA-N 2 0 400.527 0.193 20 0 HCADRP C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000670786579 1078700985 /nfs/dbraw/zinc/70/09/85/1078700985.db2.gz CNQBEGMGGAEQGE-MSOLQXFVSA-N 2 0 416.570 0.686 20 0 HCADRP C[C@H](CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000670786580 1078700932 /nfs/dbraw/zinc/70/09/32/1078700932.db2.gz CNQBEGMGGAEQGE-QZTJIDSGSA-N 2 0 416.570 0.686 20 0 HCADRP C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[N@@H+]1CCC[C@H](C)C1 ZINC000670786581 1078700719 /nfs/dbraw/zinc/70/07/19/1078700719.db2.gz CNQBEGMGGAEQGE-ROUUACIJSA-N 2 0 416.570 0.686 20 0 HCADRP C[C@H](CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[N@@H+]1CCC[C@H](C)C1 ZINC000670786582 1078700822 /nfs/dbraw/zinc/70/08/22/1078700822.db2.gz CNQBEGMGGAEQGE-ZWKOTPCHSA-N 2 0 416.570 0.686 20 0 HCADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)cn2)CC1 ZINC000670786649 1078700181 /nfs/dbraw/zinc/70/01/81/1078700181.db2.gz QKKHBSHWAHTLIS-UHFFFAOYSA-N 2 0 423.521 0.193 20 0 HCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000670786663 1078700102 /nfs/dbraw/zinc/70/01/02/1078700102.db2.gz UFPSNTOBWOTRSU-GOSISDBHSA-N 2 0 402.543 0.439 20 0 HCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000670786664 1078700089 /nfs/dbraw/zinc/70/00/89/1078700089.db2.gz UFPSNTOBWOTRSU-SFHVURJKSA-N 2 0 402.543 0.439 20 0 HCADRP C[NH+]1CCC(CCNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000670786700 1078701001 /nfs/dbraw/zinc/70/10/01/1078701001.db2.gz CGLDSRPUOFLJML-UHFFFAOYSA-N 2 0 402.543 0.298 20 0 HCADRP C[C@H](NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)C1CC[NH+](C)CC1 ZINC000670786828 1078704023 /nfs/dbraw/zinc/70/40/23/1078704023.db2.gz TUMYMGFEYINQBF-INIZCTEOSA-N 2 0 402.543 0.296 20 0 HCADRP C[C@@H](NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)C1CC[NH+](C)CC1 ZINC000670786829 1078704205 /nfs/dbraw/zinc/70/42/05/1078704205.db2.gz TUMYMGFEYINQBF-MRXNPFEDSA-N 2 0 402.543 0.296 20 0 HCADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)cn2)CC1 ZINC000670786836 1078704004 /nfs/dbraw/zinc/70/40/04/1078704004.db2.gz VCEQJCAVOMINPD-IBGZPJMESA-N 2 0 414.554 0.536 20 0 HCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000670804259 1078722129 /nfs/dbraw/zinc/72/21/29/1078722129.db2.gz GKQZMNGNAXWCDP-FQEVSTJZSA-N 2 0 407.603 0.850 20 0 HCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000670804260 1078721925 /nfs/dbraw/zinc/72/19/25/1078721925.db2.gz GKQZMNGNAXWCDP-HXUWFJFHSA-N 2 0 407.603 0.850 20 0 HCADRP CC(C)[C@H](CNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CC[NH+](C)CC1 ZINC000670833247 1078774352 /nfs/dbraw/zinc/77/43/52/1078774352.db2.gz VAKLKKYOLRDKOJ-FQEVSTJZSA-N 2 0 407.603 0.852 20 0 HCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CC[NH+](C)CC1 ZINC000670833248 1078774156 /nfs/dbraw/zinc/77/41/56/1078774156.db2.gz VAKLKKYOLRDKOJ-HXUWFJFHSA-N 2 0 407.603 0.852 20 0 HCADRP CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CC[NH+](C)CC1 ZINC000670833603 1078771941 /nfs/dbraw/zinc/77/19/41/1078771941.db2.gz BXCWIEHYVRANAQ-IBGZPJMESA-N 2 0 402.543 0.118 20 0 HCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CC[NH+](C)CC1 ZINC000670833604 1078771881 /nfs/dbraw/zinc/77/18/81/1078771881.db2.gz BXCWIEHYVRANAQ-LJQANCHMSA-N 2 0 402.543 0.118 20 0 HCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000670878013 1078827832 /nfs/dbraw/zinc/82/78/32/1078827832.db2.gz FJJMKQUKDWDNMO-PMACEKPBSA-N 2 0 401.555 0.690 20 0 HCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000670878014 1078827858 /nfs/dbraw/zinc/82/78/58/1078827858.db2.gz FJJMKQUKDWDNMO-UXHICEINSA-N 2 0 401.555 0.690 20 0 HCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000670878015 1078827729 /nfs/dbraw/zinc/82/77/29/1078827729.db2.gz FJJMKQUKDWDNMO-VQTJNVASSA-N 2 0 401.555 0.690 20 0 HCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000670878016 1078825755 /nfs/dbraw/zinc/82/57/55/1078825755.db2.gz FJJMKQUKDWDNMO-WOJBJXKFSA-N 2 0 401.555 0.690 20 0 HCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000670878035 1078827171 /nfs/dbraw/zinc/82/71/71/1078827171.db2.gz LONPTJUNQVYRSD-GHTZIAJQSA-N 2 0 415.582 0.765 20 0 HCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000670878037 1078827047 /nfs/dbraw/zinc/82/70/47/1078827047.db2.gz LONPTJUNQVYRSD-RXVVDRJESA-N 2 0 415.582 0.765 20 0 HCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000670878038 1078827194 /nfs/dbraw/zinc/82/71/94/1078827194.db2.gz LONPTJUNQVYRSD-WIYYLYMNSA-N 2 0 415.582 0.765 20 0 HCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000670878124 1078827024 /nfs/dbraw/zinc/82/70/24/1078827024.db2.gz MHBUCVFGFWQBJZ-NRFANRHFSA-N 2 0 415.582 0.862 20 0 HCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000670878125 1078827155 /nfs/dbraw/zinc/82/71/55/1078827155.db2.gz MHBUCVFGFWQBJZ-OAQYLSRUSA-N 2 0 415.582 0.862 20 0 HCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000670878408 1078826718 /nfs/dbraw/zinc/82/67/18/1078826718.db2.gz PUDFKEMEXCDSJC-UHFFFAOYSA-N 3 0 421.561 0.858 20 0 HCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000670879155 1078829005 /nfs/dbraw/zinc/82/90/05/1078829005.db2.gz PKYJCLYWBCPBSX-UHFFFAOYSA-N 2 0 417.554 0.779 20 0 HCADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000670879314 1078828233 /nfs/dbraw/zinc/82/82/33/1078828233.db2.gz NOVZVVGTVGZZOY-UHFFFAOYSA-N 2 0 408.506 0.906 20 0 HCADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000670883244 1078834693 /nfs/dbraw/zinc/83/46/93/1078834693.db2.gz RIQSCJCMIQBULN-GHTZIAJQSA-N 2 0 415.582 0.897 20 0 HCADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000670883245 1078834581 /nfs/dbraw/zinc/83/45/81/1078834581.db2.gz RIQSCJCMIQBULN-NQIIRXRSSA-N 2 0 415.582 0.897 20 0 HCADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000670883246 1078834626 /nfs/dbraw/zinc/83/46/26/1078834626.db2.gz RIQSCJCMIQBULN-RXVVDRJESA-N 2 0 415.582 0.897 20 0 HCADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000670883247 1078834717 /nfs/dbraw/zinc/83/47/17/1078834717.db2.gz RIQSCJCMIQBULN-WIYYLYMNSA-N 2 0 415.582 0.897 20 0 HCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000670883889 1078835259 /nfs/dbraw/zinc/83/52/59/1078835259.db2.gz RWWJEJSNGGZYKW-UHFFFAOYSA-N 2 0 411.506 0.987 20 0 HCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000670884981 1078836124 /nfs/dbraw/zinc/83/61/24/1078836124.db2.gz ZUENQYVYKPGGAV-UHFFFAOYSA-N 2 0 411.506 0.987 20 0 HCADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)ccn2)CC1 ZINC000670892075 1078843311 /nfs/dbraw/zinc/84/33/11/1078843311.db2.gz BLNKYLZUCCJQSW-GOSISDBHSA-N 2 0 400.527 0.050 20 0 HCADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)ccn2)CC1 ZINC000670892076 1078843677 /nfs/dbraw/zinc/84/36/77/1078843677.db2.gz BLNKYLZUCCJQSW-SFHVURJKSA-N 2 0 400.527 0.050 20 0 HCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000670892166 1078843707 /nfs/dbraw/zinc/84/37/07/1078843707.db2.gz ZRYIACJDGYWBAY-GOSISDBHSA-N 2 0 402.543 0.440 20 0 HCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000670892167 1078843659 /nfs/dbraw/zinc/84/36/59/1078843659.db2.gz ZRYIACJDGYWBAY-SFHVURJKSA-N 2 0 402.543 0.440 20 0 HCADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)ccn2)CC1 ZINC000670892199 1078842742 /nfs/dbraw/zinc/84/27/42/1078842742.db2.gz HXOVETCCTDOMNN-MSOLQXFVSA-N 2 0 400.527 0.193 20 0 HCADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)ccn2)CC1 ZINC000670892200 1078842827 /nfs/dbraw/zinc/84/28/27/1078842827.db2.gz HXOVETCCTDOMNN-QZTJIDSGSA-N 2 0 400.527 0.193 20 0 HCADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)ccn2)CC1 ZINC000670892201 1078842943 /nfs/dbraw/zinc/84/29/43/1078842943.db2.gz HXOVETCCTDOMNN-ROUUACIJSA-N 2 0 400.527 0.193 20 0 HCADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)ccn2)CC1 ZINC000670892202 1078842897 /nfs/dbraw/zinc/84/28/97/1078842897.db2.gz HXOVETCCTDOMNN-ZWKOTPCHSA-N 2 0 400.527 0.193 20 0 HCADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)ccn2)CC1 ZINC000670892302 1078843269 /nfs/dbraw/zinc/84/32/69/1078843269.db2.gz KMEQZFVEGCXJBJ-UHFFFAOYSA-N 2 0 423.521 0.193 20 0 HCADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)ccn2)CC1 ZINC000670892314 1078843254 /nfs/dbraw/zinc/84/32/54/1078843254.db2.gz MMFNTRSXJHAWFH-IBGZPJMESA-N 2 0 414.554 0.536 20 0 HCADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)ccn2)CC1 ZINC000670892315 1078843329 /nfs/dbraw/zinc/84/33/29/1078843329.db2.gz MMFNTRSXJHAWFH-LJQANCHMSA-N 2 0 414.554 0.536 20 0 HCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000670892328 1078843217 /nfs/dbraw/zinc/84/32/17/1078843217.db2.gz POINUBVDHKDFHB-GOSISDBHSA-N 2 0 402.543 0.439 20 0 HCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000670892329 1078843281 /nfs/dbraw/zinc/84/32/81/1078843281.db2.gz POINUBVDHKDFHB-SFHVURJKSA-N 2 0 402.543 0.439 20 0 HCADRP C[C@H](NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)C1CC[NH+](C)CC1 ZINC000670892402 1078842806 /nfs/dbraw/zinc/84/28/06/1078842806.db2.gz MIJMYIYNHLXYOM-INIZCTEOSA-N 2 0 402.543 0.296 20 0 HCADRP C[C@@H](NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)C1CC[NH+](C)CC1 ZINC000670892403 1078842869 /nfs/dbraw/zinc/84/28/69/1078842869.db2.gz MIJMYIYNHLXYOM-MRXNPFEDSA-N 2 0 402.543 0.296 20 0 HCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NC3CC[NH+](C4CCCC4)CC3)C2)CC1 ZINC000670894675 1078844004 /nfs/dbraw/zinc/84/40/04/1078844004.db2.gz HVTCIOWNQCRCIM-GOSISDBHSA-N 2 0 405.587 0.794 20 0 HCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC3CC[NH+](C4CCCC4)CC3)C2)CC1 ZINC000670894676 1078844048 /nfs/dbraw/zinc/84/40/48/1078844048.db2.gz HVTCIOWNQCRCIM-SFHVURJKSA-N 2 0 405.587 0.794 20 0 HCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC3CC[NH+](C4CCCC4)CC3)CC2)C1 ZINC000670894684 1078844064 /nfs/dbraw/zinc/84/40/64/1078844064.db2.gz IHCPPDWZLBMOQF-FQEVSTJZSA-N 2 0 405.587 0.748 20 0 HCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC3CC[NH+](C4CCCC4)CC3)CC2)C1 ZINC000670894685 1078843988 /nfs/dbraw/zinc/84/39/88/1078843988.db2.gz IHCPPDWZLBMOQF-HXUWFJFHSA-N 2 0 405.587 0.748 20 0 HCADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000670958420 1078869210 /nfs/dbraw/zinc/86/92/10/1078869210.db2.gz YSVLMDKBZURSAJ-UHFFFAOYSA-N 2 0 408.506 0.906 20 0 HCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000670959668 1078869955 /nfs/dbraw/zinc/86/99/55/1078869955.db2.gz FSFZXTHQYJTHOF-IBGZPJMESA-N 2 0 416.570 0.830 20 0 HCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000670959669 1078870357 /nfs/dbraw/zinc/87/03/57/1078870357.db2.gz FSFZXTHQYJTHOF-LJQANCHMSA-N 2 0 416.570 0.830 20 0 HCADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000670959671 1078870427 /nfs/dbraw/zinc/87/04/27/1078870427.db2.gz GVPWCUWPNRXGIR-MOPGFXCFSA-N 2 0 414.554 0.583 20 0 HCADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000670959672 1078870362 /nfs/dbraw/zinc/87/03/62/1078870362.db2.gz GVPWCUWPNRXGIR-OALUTQOASA-N 2 0 414.554 0.583 20 0 HCADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000670959673 1078870322 /nfs/dbraw/zinc/87/03/22/1078870322.db2.gz GVPWCUWPNRXGIR-RBUKOAKNSA-N 2 0 414.554 0.583 20 0 HCADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000670959674 1078870270 /nfs/dbraw/zinc/87/02/70/1078870270.db2.gz GVPWCUWPNRXGIR-RTBURBONSA-N 2 0 414.554 0.583 20 0 HCADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@H]([NH2+]C(C)C)C3)cn2)CC1 ZINC000670959823 1078870014 /nfs/dbraw/zinc/87/00/14/1078870014.db2.gz IUPNAKYQQZWAFX-IBGZPJMESA-N 2 0 416.570 0.829 20 0 HCADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@@H]([NH2+]C(C)C)C3)cn2)CC1 ZINC000670959824 1078869990 /nfs/dbraw/zinc/86/99/90/1078869990.db2.gz IUPNAKYQQZWAFX-LJQANCHMSA-N 2 0 416.570 0.829 20 0 HCADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCC[N@H+](C)C3CCCC3)cn2)CC1 ZINC000670959942 1078872766 /nfs/dbraw/zinc/87/27/66/1078872766.db2.gz FCRJOWKENLNRQU-UHFFFAOYSA-N 2 0 416.570 0.830 20 0 HCADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N(C)CC[NH+]3CCCC3)cn2)CC1 ZINC000670959980 1078872746 /nfs/dbraw/zinc/87/27/46/1078872746.db2.gz NWLVCUCRNVSNJT-UHFFFAOYSA-N 2 0 402.543 0.394 20 0 HCADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)C3CC[NH+](C)CC3)cn2)CC1 ZINC000670960040 1078872812 /nfs/dbraw/zinc/87/28/12/1078872812.db2.gz WOWDJMLGZHNGFK-KRWDZBQOSA-N 2 0 416.570 0.686 20 0 HCADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)C3CC[NH+](C)CC3)cn2)CC1 ZINC000670960041 1078872779 /nfs/dbraw/zinc/87/27/79/1078872779.db2.gz WOWDJMLGZHNGFK-QGZVFWFLSA-N 2 0 416.570 0.686 20 0 HCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000670960489 1078871945 /nfs/dbraw/zinc/87/19/45/1078871945.db2.gz MHRWIRJGCBWTRW-FQEVSTJZSA-N 2 0 401.555 0.651 20 0 HCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000670960490 1078871960 /nfs/dbraw/zinc/87/19/60/1078871960.db2.gz MHRWIRJGCBWTRW-HXUWFJFHSA-N 2 0 401.555 0.651 20 0 HCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000670960727 1078872046 /nfs/dbraw/zinc/87/20/46/1078872046.db2.gz FJPALONYGCUDLW-FQEVSTJZSA-N 2 0 401.555 0.651 20 0 HCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000670960728 1078871983 /nfs/dbraw/zinc/87/19/83/1078871983.db2.gz FJPALONYGCUDLW-HXUWFJFHSA-N 2 0 401.555 0.651 20 0 HCADRP CC(C)[C@H](CNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)[NH+]1CCC(C)CC1 ZINC000670970077 1078877902 /nfs/dbraw/zinc/87/79/02/1078877902.db2.gz QBUFKTGGEUAUHA-FQEVSTJZSA-N 2 0 409.619 0.955 20 0 HCADRP CC(C)[C@@H](CNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)[NH+]1CCC(C)CC1 ZINC000670970078 1078878311 /nfs/dbraw/zinc/87/83/11/1078878311.db2.gz QBUFKTGGEUAUHA-HXUWFJFHSA-N 2 0 409.619 0.955 20 0 HCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000670980687 1078883533 /nfs/dbraw/zinc/88/35/33/1078883533.db2.gz IUNVGVJONUYOKE-AZUAARDMSA-N 2 0 419.545 0.829 20 0 HCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000670980688 1078883373 /nfs/dbraw/zinc/88/33/73/1078883373.db2.gz IUNVGVJONUYOKE-ICSRJNTNSA-N 2 0 419.545 0.829 20 0 HCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000670980689 1078883509 /nfs/dbraw/zinc/88/35/09/1078883509.db2.gz IUNVGVJONUYOKE-QUCCMNQESA-N 2 0 419.545 0.829 20 0 HCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000670980690 1078883495 /nfs/dbraw/zinc/88/34/95/1078883495.db2.gz IUNVGVJONUYOKE-UYAOXDASSA-N 2 0 419.545 0.829 20 0 HCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000670980737 1078883394 /nfs/dbraw/zinc/88/33/94/1078883394.db2.gz MTZWGZZNGNCLLV-PMACEKPBSA-N 2 0 419.545 0.783 20 0 HCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000670980738 1078883582 /nfs/dbraw/zinc/88/35/82/1078883582.db2.gz MTZWGZZNGNCLLV-UXHICEINSA-N 2 0 419.545 0.783 20 0 HCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000670980739 1078883436 /nfs/dbraw/zinc/88/34/36/1078883436.db2.gz MTZWGZZNGNCLLV-VQTJNVASSA-N 2 0 419.545 0.783 20 0 HCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000670980740 1078883382 /nfs/dbraw/zinc/88/33/82/1078883382.db2.gz MTZWGZZNGNCLLV-WOJBJXKFSA-N 2 0 419.545 0.783 20 0 HCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NCC[NH+]3CCC(C)CC3)CC2)CC1 ZINC000670983326 1078886742 /nfs/dbraw/zinc/88/67/42/1078886742.db2.gz VPGGZGQGWJDWLA-UHFFFAOYSA-N 2 0 407.603 0.852 20 0 HCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NCC[N@@H+]3CCC[C@@H](C)C3)CC2)CC1 ZINC000670984180 1078886715 /nfs/dbraw/zinc/88/67/15/1078886715.db2.gz DQNCIGOEDNHNBO-LJQANCHMSA-N 2 0 407.603 0.852 20 0 HCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000670984874 1078886107 /nfs/dbraw/zinc/88/61/07/1078886107.db2.gz WXTCTNIIERVDAY-KRWDZBQOSA-N 2 0 402.543 0.298 20 0 HCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000670984875 1078886037 /nfs/dbraw/zinc/88/60/37/1078886037.db2.gz WXTCTNIIERVDAY-QGZVFWFLSA-N 2 0 402.543 0.298 20 0 HCADRP C[N@H+](CCCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)C1CCCCC1 ZINC000670988350 1078888122 /nfs/dbraw/zinc/88/81/22/1078888122.db2.gz ZGSKEZLBIAKYGC-FQEVSTJZSA-N 2 0 407.603 0.996 20 0 HCADRP C[N@H+](CCCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)C1CCCCC1 ZINC000670988351 1078888157 /nfs/dbraw/zinc/88/81/57/1078888157.db2.gz ZGSKEZLBIAKYGC-HXUWFJFHSA-N 2 0 407.603 0.996 20 0 HCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000670989652 1078889558 /nfs/dbraw/zinc/88/95/58/1078889558.db2.gz VQIXPUAPZOOINM-CEXWTWQISA-N 2 0 407.603 0.755 20 0 HCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000670989653 1078889529 /nfs/dbraw/zinc/88/95/29/1078889529.db2.gz VQIXPUAPZOOINM-GUDVDZBRSA-N 2 0 407.603 0.755 20 0 HCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000670989654 1078889476 /nfs/dbraw/zinc/88/94/76/1078889476.db2.gz VQIXPUAPZOOINM-OTWHNJEPSA-N 2 0 407.603 0.755 20 0 HCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000670989655 1078889596 /nfs/dbraw/zinc/88/95/96/1078889596.db2.gz VQIXPUAPZOOINM-QRVBRYPASA-N 2 0 407.603 0.755 20 0 HCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000670989675 1078889504 /nfs/dbraw/zinc/88/95/04/1078889504.db2.gz ZBXSFPPOWRWPRH-AQNXPRMDSA-N 2 0 407.603 0.709 20 0 HCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C1 ZINC000670989676 1078889539 /nfs/dbraw/zinc/88/95/39/1078889539.db2.gz ZBXSFPPOWRWPRH-HSALFYBXSA-N 2 0 407.603 0.709 20 0 HCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000670989677 1078889625 /nfs/dbraw/zinc/88/96/25/1078889625.db2.gz ZBXSFPPOWRWPRH-VAMGGRTRSA-N 2 0 407.603 0.709 20 0 HCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC000670989678 1078889511 /nfs/dbraw/zinc/88/95/11/1078889511.db2.gz ZBXSFPPOWRWPRH-ZCNNSNEGSA-N 2 0 407.603 0.709 20 0 HCADRP C[NH+]1CCN(C[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2)CC1 ZINC000670991700 1078890113 /nfs/dbraw/zinc/89/01/13/1078890113.db2.gz PPWGFKLJPNQRPZ-ACRUOGEOSA-N 2 0 413.566 0.834 20 0 HCADRP C[NH+]1CCN(C[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2)CC1 ZINC000670991701 1078890005 /nfs/dbraw/zinc/89/00/05/1078890005.db2.gz PPWGFKLJPNQRPZ-HBMCJLEFSA-N 2 0 413.566 0.834 20 0 HCADRP C[NH+]1CCN(C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2)CC1 ZINC000670991702 1078890043 /nfs/dbraw/zinc/89/00/43/1078890043.db2.gz PPWGFKLJPNQRPZ-HKBOAZHASA-N 2 0 413.566 0.834 20 0 HCADRP C[NH+]1CCN(C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2)CC1 ZINC000670991703 1078890223 /nfs/dbraw/zinc/89/02/23/1078890223.db2.gz PPWGFKLJPNQRPZ-NJYVYQBISA-N 2 0 413.566 0.834 20 0 HCADRP C[NH+]1CCN(C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c2ccccc2)CC1 ZINC000670991751 1078890581 /nfs/dbraw/zinc/89/05/81/1078890581.db2.gz ZDAWLTRAGNFODN-LEWJYISDSA-N 2 0 413.566 0.692 20 0 HCADRP C[NH+]1CCN(C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c2ccccc2)CC1 ZINC000670991752 1078890541 /nfs/dbraw/zinc/89/05/41/1078890541.db2.gz ZDAWLTRAGNFODN-NHCUHLMSSA-N 2 0 413.566 0.692 20 0 HCADRP C[NH+]1CCN(C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c2ccccc2)CC1 ZINC000670991753 1078890508 /nfs/dbraw/zinc/89/05/08/1078890508.db2.gz ZDAWLTRAGNFODN-RTWAWAEBSA-N 2 0 413.566 0.692 20 0 HCADRP C[NH+]1CCN(C[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c2ccccc2)CC1 ZINC000670991754 1078890495 /nfs/dbraw/zinc/89/04/95/1078890495.db2.gz ZDAWLTRAGNFODN-SFTDATJTSA-N 2 0 413.566 0.692 20 0 HCADRP C[C@H](NC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000670991883 1078889110 /nfs/dbraw/zinc/88/91/10/1078889110.db2.gz BRTFBVFZXGTQBQ-GHTZIAJQSA-N 2 0 415.582 0.938 20 0 HCADRP C[C@@H](NC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000670991884 1078889140 /nfs/dbraw/zinc/88/91/40/1078889140.db2.gz BRTFBVFZXGTQBQ-NQIIRXRSSA-N 2 0 415.582 0.938 20 0 HCADRP C[C@@H](NC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000670991886 1078889156 /nfs/dbraw/zinc/88/91/56/1078889156.db2.gz BRTFBVFZXGTQBQ-WIYYLYMNSA-N 2 0 415.582 0.938 20 0 HCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000670995925 1078893853 /nfs/dbraw/zinc/89/38/53/1078893853.db2.gz NGMGNRSHTCNJMM-UXHICEINSA-N 2 0 401.555 0.692 20 0 HCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000670995926 1078893892 /nfs/dbraw/zinc/89/38/92/1078893892.db2.gz NGMGNRSHTCNJMM-VQTJNVASSA-N 2 0 401.555 0.692 20 0 HCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000670995927 1078893957 /nfs/dbraw/zinc/89/39/57/1078893957.db2.gz NGMGNRSHTCNJMM-WOJBJXKFSA-N 2 0 401.555 0.692 20 0 HCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@@H](C)C[NH+]3CCCCC3)CC2)CC1 ZINC000670997254 1078895237 /nfs/dbraw/zinc/89/52/37/1078895237.db2.gz CLGJMXVDJFJNAN-IBGZPJMESA-N 2 0 407.603 0.994 20 0 HCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@H](C)C[NH+]3CCCCC3)CC2)CC1 ZINC000670997255 1078895351 /nfs/dbraw/zinc/89/53/51/1078895351.db2.gz CLGJMXVDJFJNAN-LJQANCHMSA-N 2 0 407.603 0.994 20 0 HCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000670997516 1078894745 /nfs/dbraw/zinc/89/47/45/1078894745.db2.gz UJKBCNDVXGOPFR-FXAWDEMLSA-N 2 0 402.539 0.860 20 0 HCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000670997517 1078894876 /nfs/dbraw/zinc/89/48/76/1078894876.db2.gz UJKBCNDVXGOPFR-PXNSSMCTSA-N 2 0 402.539 0.860 20 0 HCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000670997518 1078894834 /nfs/dbraw/zinc/89/48/34/1078894834.db2.gz UJKBCNDVXGOPFR-XLIONFOSSA-N 2 0 402.539 0.860 20 0 HCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000670997519 1078894911 /nfs/dbraw/zinc/89/49/11/1078894911.db2.gz UJKBCNDVXGOPFR-YLJYHZDGSA-N 2 0 402.539 0.860 20 0 HCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000671019213 1078932992 /nfs/dbraw/zinc/93/29/92/1078932992.db2.gz RGSVVTOHXMMVKR-FQEVSTJZSA-N 2 0 413.566 0.915 20 0 HCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000671019214 1078932963 /nfs/dbraw/zinc/93/29/63/1078932963.db2.gz RGSVVTOHXMMVKR-HXUWFJFHSA-N 2 0 413.566 0.915 20 0 HCADRP CC1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000671031496 1078964547 /nfs/dbraw/zinc/96/45/47/1078964547.db2.gz LHKYSXWMKYXOIT-IBGZPJMESA-N 2 0 407.603 0.899 20 0 HCADRP CC1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000671031497 1078964150 /nfs/dbraw/zinc/96/41/50/1078964150.db2.gz LHKYSXWMKYXOIT-LJQANCHMSA-N 2 0 407.603 0.899 20 0 HCADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000671031501 1078964474 /nfs/dbraw/zinc/96/44/74/1078964474.db2.gz MJVRMVDMRSQIGC-FQEVSTJZSA-N 2 0 407.603 0.853 20 0 HCADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000671031502 1078964578 /nfs/dbraw/zinc/96/45/78/1078964578.db2.gz MJVRMVDMRSQIGC-HXUWFJFHSA-N 2 0 407.603 0.853 20 0 HCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000671031946 1078963660 /nfs/dbraw/zinc/96/36/60/1078963660.db2.gz GMPSPNWRTUHMHN-KDURUIRLSA-N 2 0 424.586 0.563 20 0 HCADRP C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000671031947 1078963491 /nfs/dbraw/zinc/96/34/91/1078963491.db2.gz GMPSPNWRTUHMHN-OALUTQOASA-N 2 0 424.586 0.563 20 0 HCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)CC2)C[C@@H](C)O1 ZINC000671031948 1078963602 /nfs/dbraw/zinc/96/36/02/1078963602.db2.gz GMPSPNWRTUHMHN-RTBURBONSA-N 2 0 424.586 0.563 20 0 HCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000671032128 1078967766 /nfs/dbraw/zinc/96/77/66/1078967766.db2.gz ZXUJGPMWKWWJGX-FQEVSTJZSA-N 2 0 402.539 0.948 20 0 HCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000671032129 1078967276 /nfs/dbraw/zinc/96/72/76/1078967276.db2.gz ZXUJGPMWKWWJGX-HXUWFJFHSA-N 2 0 402.539 0.948 20 0 HCADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000671032312 1078966756 /nfs/dbraw/zinc/96/67/56/1078966756.db2.gz PRGRWENBWZVBMZ-UHFFFAOYSA-N 2 0 403.527 0.391 20 0 HCADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000671032596 1078966690 /nfs/dbraw/zinc/96/66/90/1078966690.db2.gz UJFOHQUOUNGFDE-PMACEKPBSA-N 2 0 407.603 0.996 20 0 HCADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000671032597 1078966892 /nfs/dbraw/zinc/96/68/92/1078966892.db2.gz UJFOHQUOUNGFDE-UXHICEINSA-N 2 0 407.603 0.996 20 0 HCADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000671032598 1078966565 /nfs/dbraw/zinc/96/65/65/1078966565.db2.gz UJFOHQUOUNGFDE-VQTJNVASSA-N 2 0 407.603 0.996 20 0 HCADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000671032599 1078966844 /nfs/dbraw/zinc/96/68/44/1078966844.db2.gz UJFOHQUOUNGFDE-WOJBJXKFSA-N 2 0 407.603 0.996 20 0 HCADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000671033302 1078970959 /nfs/dbraw/zinc/97/09/59/1078970959.db2.gz OOFYRQBCTVDYEL-NRFANRHFSA-N 2 0 415.582 0.863 20 0 HCADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000671033303 1078971104 /nfs/dbraw/zinc/97/11/04/1078971104.db2.gz OOFYRQBCTVDYEL-OAQYLSRUSA-N 2 0 415.582 0.863 20 0 HCADRP CN1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000671033738 1078963417 /nfs/dbraw/zinc/96/34/17/1078963417.db2.gz PABIGDNDABLLSF-IBGZPJMESA-N 2 0 407.534 0.688 20 0 HCADRP CN1CC[NH+](CCCCNC(=O)C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000671033739 1078963725 /nfs/dbraw/zinc/96/37/25/1078963725.db2.gz PABIGDNDABLLSF-LJQANCHMSA-N 2 0 407.534 0.688 20 0 HCADRP CN1CC[NH+](CCCCNC(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000671033755 1078963346 /nfs/dbraw/zinc/96/33/46/1078963346.db2.gz TUKCLRXHJSNSEM-UHFFFAOYSA-N 2 0 407.534 0.647 20 0 HCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000671034185 1078969298 /nfs/dbraw/zinc/96/92/98/1078969298.db2.gz NSVRBQASSWTRPK-MOPGFXCFSA-N 2 0 407.603 0.899 20 0 HCADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000671034187 1078969123 /nfs/dbraw/zinc/96/91/23/1078969123.db2.gz NSVRBQASSWTRPK-OALUTQOASA-N 2 0 407.603 0.899 20 0 HCADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000671034189 1078969011 /nfs/dbraw/zinc/96/90/11/1078969011.db2.gz NSVRBQASSWTRPK-RBUKOAKNSA-N 2 0 407.603 0.899 20 0 HCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000671034191 1078969464 /nfs/dbraw/zinc/96/94/64/1078969464.db2.gz NSVRBQASSWTRPK-RTBURBONSA-N 2 0 407.603 0.899 20 0 HCADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC000671034411 1078968645 /nfs/dbraw/zinc/96/86/45/1078968645.db2.gz ZMTIDIIPVWTTKL-PMACEKPBSA-N 2 0 407.603 0.853 20 0 HCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC000671034413 1078968296 /nfs/dbraw/zinc/96/82/96/1078968296.db2.gz ZMTIDIIPVWTTKL-UXHICEINSA-N 2 0 407.603 0.853 20 0 HCADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C1 ZINC000671034415 1078969082 /nfs/dbraw/zinc/96/90/82/1078969082.db2.gz ZMTIDIIPVWTTKL-VQTJNVASSA-N 2 0 407.603 0.853 20 0 HCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C1 ZINC000671034417 1078969681 /nfs/dbraw/zinc/96/96/81/1078969681.db2.gz ZMTIDIIPVWTTKL-WOJBJXKFSA-N 2 0 407.603 0.853 20 0 HCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000671034615 1078968684 /nfs/dbraw/zinc/96/86/84/1078968684.db2.gz VAKYGZPBIFRJAW-UHFFFAOYSA-N 2 0 407.603 0.997 20 0 HCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000671034756 1078971978 /nfs/dbraw/zinc/97/19/78/1078971978.db2.gz BMRCIZQMRYMJDI-UHFFFAOYSA-N 2 0 402.543 0.264 20 0 HCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N[C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000671059919 1079002538 /nfs/dbraw/zinc/00/25/38/1079002538.db2.gz NTJLXDLFALAQGM-IBGZPJMESA-N 2 0 401.555 0.834 20 0 HCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N[C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000671059920 1079002448 /nfs/dbraw/zinc/00/24/48/1079002448.db2.gz NTJLXDLFALAQGM-LJQANCHMSA-N 2 0 401.555 0.834 20 0 HCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000671070829 1079017755 /nfs/dbraw/zinc/01/77/55/1079017755.db2.gz BKWHNIUQCCZVCX-FQEVSTJZSA-N 2 0 414.616 0.889 20 0 HCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000671070830 1079018196 /nfs/dbraw/zinc/01/81/96/1079018196.db2.gz BKWHNIUQCCZVCX-HXUWFJFHSA-N 2 0 414.616 0.889 20 0 HCADRP CN(C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671071347 1079019659 /nfs/dbraw/zinc/01/96/59/1079019659.db2.gz YJLQTSGEPNCZDL-FXAWDEMLSA-N 2 0 411.616 0.167 20 0 HCADRP CN(C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671071348 1079019893 /nfs/dbraw/zinc/01/98/93/1079019893.db2.gz YJLQTSGEPNCZDL-PXNSSMCTSA-N 2 0 411.616 0.167 20 0 HCADRP CN(C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671071349 1079019767 /nfs/dbraw/zinc/01/97/67/1079019767.db2.gz YJLQTSGEPNCZDL-XLIONFOSSA-N 2 0 411.616 0.167 20 0 HCADRP CN(C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671071350 1079019808 /nfs/dbraw/zinc/01/98/08/1079019808.db2.gz YJLQTSGEPNCZDL-YLJYHZDGSA-N 2 0 411.616 0.167 20 0 HCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CCSC1 ZINC000671071503 1079021176 /nfs/dbraw/zinc/02/11/76/1079021176.db2.gz CPGWWEPZYBHMJE-FQEVSTJZSA-N 2 0 420.583 0.003 20 0 HCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CCSC1 ZINC000671071504 1079021220 /nfs/dbraw/zinc/02/12/20/1079021220.db2.gz CPGWWEPZYBHMJE-HXUWFJFHSA-N 2 0 420.583 0.003 20 0 HCADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000671090770 1079035779 /nfs/dbraw/zinc/03/57/79/1079035779.db2.gz MJHKMXBLUAFKSU-FQEVSTJZSA-N 2 0 401.555 0.603 20 0 HCADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000671090771 1079035981 /nfs/dbraw/zinc/03/59/81/1079035981.db2.gz MJHKMXBLUAFKSU-HXUWFJFHSA-N 2 0 401.555 0.603 20 0 HCADRP CN(C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671090808 1079035672 /nfs/dbraw/zinc/03/56/72/1079035672.db2.gz ZDPGAHUALPUSOI-NRFANRHFSA-N 2 0 415.582 0.991 20 0 HCADRP CN(C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671090809 1079036017 /nfs/dbraw/zinc/03/60/17/1079036017.db2.gz ZDPGAHUALPUSOI-OAQYLSRUSA-N 2 0 415.582 0.991 20 0 HCADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000671090810 1079035933 /nfs/dbraw/zinc/03/59/33/1079035933.db2.gz ZRALLDRUQGWLGV-IBGZPJMESA-N 2 0 401.555 0.649 20 0 HCADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000671090811 1079035733 /nfs/dbraw/zinc/03/57/33/1079035733.db2.gz ZRALLDRUQGWLGV-LJQANCHMSA-N 2 0 401.555 0.649 20 0 HCADRP CN(C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671091211 1079037199 /nfs/dbraw/zinc/03/71/99/1079037199.db2.gz PGNYIBSXSHLFEA-FQEVSTJZSA-N 2 0 405.587 0.604 20 0 HCADRP CN(C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671091212 1079037281 /nfs/dbraw/zinc/03/72/81/1079037281.db2.gz PGNYIBSXSHLFEA-HXUWFJFHSA-N 2 0 405.587 0.604 20 0 HCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NC3CC[NH+](CC4CC4)CC3)CC2)CC1 ZINC000671091803 1079036890 /nfs/dbraw/zinc/03/68/90/1079036890.db2.gz OMOLYSFDQXSYPW-UHFFFAOYSA-N 2 0 419.614 0.994 20 0 HCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671101096 1079042245 /nfs/dbraw/zinc/04/22/45/1079042245.db2.gz HVGZNZHTALGOMO-MSOLQXFVSA-N 2 0 421.586 0.472 20 0 HCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671101103 1079042336 /nfs/dbraw/zinc/04/23/36/1079042336.db2.gz HVGZNZHTALGOMO-QZTJIDSGSA-N 2 0 421.586 0.472 20 0 HCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671101105 1079042197 /nfs/dbraw/zinc/04/21/97/1079042197.db2.gz HVGZNZHTALGOMO-ROUUACIJSA-N 2 0 421.586 0.472 20 0 HCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671101108 1079042271 /nfs/dbraw/zinc/04/22/71/1079042271.db2.gz HVGZNZHTALGOMO-ZWKOTPCHSA-N 2 0 421.586 0.472 20 0 HCADRP CN1CCC(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)([NH+]2CCCCC2)CC1 ZINC000671101659 1079044179 /nfs/dbraw/zinc/04/41/79/1079044179.db2.gz SRFVSNQFSFKEQI-MOPGFXCFSA-N 2 0 405.587 0.796 20 0 HCADRP CN1CCC(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)([NH+]2CCCCC2)CC1 ZINC000671101660 1079044240 /nfs/dbraw/zinc/04/42/40/1079044240.db2.gz SRFVSNQFSFKEQI-OALUTQOASA-N 2 0 405.587 0.796 20 0 HCADRP CN1CCC(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)([NH+]2CCCCC2)CC1 ZINC000671101661 1079044166 /nfs/dbraw/zinc/04/41/66/1079044166.db2.gz SRFVSNQFSFKEQI-RBUKOAKNSA-N 2 0 405.587 0.796 20 0 HCADRP CN1CCC(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)([NH+]2CCCCC2)CC1 ZINC000671101662 1079044087 /nfs/dbraw/zinc/04/40/87/1079044087.db2.gz SRFVSNQFSFKEQI-RTBURBONSA-N 2 0 405.587 0.796 20 0 HCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000671102840 1079045229 /nfs/dbraw/zinc/04/52/29/1079045229.db2.gz ACUYFAQMJMUNIA-AZUAARDMSA-N 2 0 405.587 0.746 20 0 HCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000671102852 1079045159 /nfs/dbraw/zinc/04/51/59/1079045159.db2.gz ACUYFAQMJMUNIA-ICSRJNTNSA-N 2 0 405.587 0.746 20 0 HCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000671102853 1079045249 /nfs/dbraw/zinc/04/52/49/1079045249.db2.gz ACUYFAQMJMUNIA-QUCCMNQESA-N 2 0 405.587 0.746 20 0 HCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000671102854 1079045304 /nfs/dbraw/zinc/04/53/04/1079045304.db2.gz ACUYFAQMJMUNIA-UYAOXDASSA-N 2 0 405.587 0.746 20 0 HCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000671102964 1079043770 /nfs/dbraw/zinc/04/37/70/1079043770.db2.gz BFAOXEYZWCJTDF-MOPGFXCFSA-N 2 0 415.538 0.337 20 0 HCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000671102968 1079043629 /nfs/dbraw/zinc/04/36/29/1079043629.db2.gz BFAOXEYZWCJTDF-OALUTQOASA-N 2 0 415.538 0.337 20 0 HCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000671102971 1079043558 /nfs/dbraw/zinc/04/35/58/1079043558.db2.gz BFAOXEYZWCJTDF-RBUKOAKNSA-N 2 0 415.538 0.337 20 0 HCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000671102974 1079043650 /nfs/dbraw/zinc/04/36/50/1079043650.db2.gz BFAOXEYZWCJTDF-RTBURBONSA-N 2 0 415.538 0.337 20 0 HCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC000671105478 1079048287 /nfs/dbraw/zinc/04/82/87/1079048287.db2.gz LVZCGVYYRYSZLK-IYWMVGAKSA-N 2 0 405.587 0.746 20 0 HCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)CC1 ZINC000671105479 1079048138 /nfs/dbraw/zinc/04/81/38/1079048138.db2.gz LVZCGVYYRYSZLK-WCIQWLHISA-N 2 0 405.587 0.746 20 0 HCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)CC1 ZINC000671105480 1079048233 /nfs/dbraw/zinc/04/82/33/1079048233.db2.gz LVZCGVYYRYSZLK-YRPNKDGESA-N 2 0 405.587 0.746 20 0 HCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC000671105481 1079048341 /nfs/dbraw/zinc/04/83/41/1079048341.db2.gz LVZCGVYYRYSZLK-ZGXWSNOMSA-N 2 0 405.587 0.746 20 0 HCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671105922 1079047717 /nfs/dbraw/zinc/04/77/17/1079047717.db2.gz WUYYKOHXNWZMRH-AZUAARDMSA-N 3 0 414.554 0.453 20 0 HCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671105923 1079047609 /nfs/dbraw/zinc/04/76/09/1079047609.db2.gz WUYYKOHXNWZMRH-ICSRJNTNSA-N 3 0 414.554 0.453 20 0 HCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671105924 1079047561 /nfs/dbraw/zinc/04/75/61/1079047561.db2.gz WUYYKOHXNWZMRH-QUCCMNQESA-N 3 0 414.554 0.453 20 0 HCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671105926 1079047826 /nfs/dbraw/zinc/04/78/26/1079047826.db2.gz WUYYKOHXNWZMRH-UYAOXDASSA-N 3 0 414.554 0.453 20 0 HCADRP CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000671107373 1079051217 /nfs/dbraw/zinc/05/12/17/1079051217.db2.gz OJRZRGAZAPQFNN-MOPGFXCFSA-N 2 0 405.587 0.606 20 0 HCADRP CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000671107374 1079051186 /nfs/dbraw/zinc/05/11/86/1079051186.db2.gz OJRZRGAZAPQFNN-OALUTQOASA-N 2 0 405.587 0.606 20 0 HCADRP CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000671107375 1079051114 /nfs/dbraw/zinc/05/11/14/1079051114.db2.gz OJRZRGAZAPQFNN-RBUKOAKNSA-N 2 0 405.587 0.606 20 0 HCADRP CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000671107376 1079050996 /nfs/dbraw/zinc/05/09/96/1079050996.db2.gz OJRZRGAZAPQFNN-RTBURBONSA-N 2 0 405.587 0.606 20 0 HCADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671107654 1079049881 /nfs/dbraw/zinc/04/98/81/1079049881.db2.gz JNZAIJWCTOZDBP-MSOLQXFVSA-N 2 0 400.527 0.193 20 0 HCADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671107655 1079049672 /nfs/dbraw/zinc/04/96/72/1079049672.db2.gz JNZAIJWCTOZDBP-QZTJIDSGSA-N 2 0 400.527 0.193 20 0 HCADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671107656 1079049568 /nfs/dbraw/zinc/04/95/68/1079049568.db2.gz JNZAIJWCTOZDBP-ROUUACIJSA-N 2 0 400.527 0.193 20 0 HCADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671107657 1079049764 /nfs/dbraw/zinc/04/97/64/1079049764.db2.gz JNZAIJWCTOZDBP-ZWKOTPCHSA-N 2 0 400.527 0.193 20 0 HCADRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000671109325 1079052005 /nfs/dbraw/zinc/05/20/05/1079052005.db2.gz ULROMTBPDZVHFZ-AABGKKOBSA-N 2 0 400.523 0.612 20 0 HCADRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000671109327 1079051985 /nfs/dbraw/zinc/05/19/85/1079051985.db2.gz ULROMTBPDZVHFZ-AQNXPRMDSA-N 2 0 400.523 0.612 20 0 HCADRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000671109328 1079052042 /nfs/dbraw/zinc/05/20/42/1079052042.db2.gz ULROMTBPDZVHFZ-UFYCRDLUSA-N 2 0 400.523 0.612 20 0 HCADRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000671109329 1079051899 /nfs/dbraw/zinc/05/18/99/1079051899.db2.gz ULROMTBPDZVHFZ-ZCNNSNEGSA-N 2 0 400.523 0.612 20 0 HCADRP Cc1csc(CCNC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000671110699 1079052822 /nfs/dbraw/zinc/05/28/22/1079052822.db2.gz HFWAUNTWFUPVAO-UHFFFAOYSA-N 2 0 416.551 0.834 20 0 HCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)CC1 ZINC000671122831 1079058354 /nfs/dbraw/zinc/05/83/54/1079058354.db2.gz ULHLDMIYLFEATN-GOSISDBHSA-N 2 0 405.587 0.604 20 0 HCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)CC1 ZINC000671122832 1079058390 /nfs/dbraw/zinc/05/83/90/1079058390.db2.gz ULHLDMIYLFEATN-SFHVURJKSA-N 2 0 405.587 0.604 20 0 HCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000671134591 1079065876 /nfs/dbraw/zinc/06/58/76/1079065876.db2.gz QWLZLKUUNDQBJK-UHFFFAOYSA-N 2 0 411.591 0.088 20 0 HCADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000671139185 1079071590 /nfs/dbraw/zinc/07/15/90/1079071590.db2.gz YGJXQPRFZOFAMK-NRFANRHFSA-N 2 0 415.582 0.911 20 0 HCADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000671139186 1079071561 /nfs/dbraw/zinc/07/15/61/1079071561.db2.gz YGJXQPRFZOFAMK-OAQYLSRUSA-N 2 0 415.582 0.911 20 0 HCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000671146113 1079076873 /nfs/dbraw/zinc/07/68/73/1079076873.db2.gz PBBVJBYHZWZPKA-FQEVSTJZSA-N 3 0 403.571 0.719 20 0 HCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000671146114 1079077388 /nfs/dbraw/zinc/07/73/88/1079077388.db2.gz PBBVJBYHZWZPKA-HXUWFJFHSA-N 3 0 403.571 0.719 20 0 HCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NC[C@H](C)C[NH+]3CCCC3)CC2)CC1 ZINC000671170510 1079091890 /nfs/dbraw/zinc/09/18/90/1079091890.db2.gz IQDUOBCEVPIJKU-IBGZPJMESA-N 2 0 407.603 0.852 20 0 HCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]3CCCC3)CC2)CC1 ZINC000671170511 1079091804 /nfs/dbraw/zinc/09/18/04/1079091804.db2.gz IQDUOBCEVPIJKU-LJQANCHMSA-N 2 0 407.603 0.852 20 0 HCADRP C[C@H](CNC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000671172075 1079090149 /nfs/dbraw/zinc/09/01/49/1079090149.db2.gz LQGJXAIVHPHNDI-CTNGQTDRSA-N 2 0 415.582 0.719 20 0 HCADRP C[C@@H](CNC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000671172076 1079090077 /nfs/dbraw/zinc/09/00/77/1079090077.db2.gz LQGJXAIVHPHNDI-FPOVZHCZSA-N 2 0 415.582 0.719 20 0 HCADRP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000671172077 1079089991 /nfs/dbraw/zinc/08/99/91/1079089991.db2.gz LQGJXAIVHPHNDI-PZJWPPBQSA-N 2 0 415.582 0.719 20 0 HCADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)C[NH+]1CCN(C)CC1 ZINC000671172078 1079090207 /nfs/dbraw/zinc/09/02/07/1079090207.db2.gz LQGJXAIVHPHNDI-TZIWHRDSSA-N 2 0 415.582 0.719 20 0 HCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000671173149 1079092871 /nfs/dbraw/zinc/09/28/71/1079092871.db2.gz GNTASEITPSJLAR-GOSISDBHSA-N 2 0 402.543 0.120 20 0 HCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000671173150 1079092819 /nfs/dbraw/zinc/09/28/19/1079092819.db2.gz GNTASEITPSJLAR-SFHVURJKSA-N 2 0 402.543 0.120 20 0 HCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000671173428 1079096529 /nfs/dbraw/zinc/09/65/29/1079096529.db2.gz ZQPYVIYOMACHMF-PMACEKPBSA-N 2 0 407.603 0.853 20 0 HCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000671173429 1079096320 /nfs/dbraw/zinc/09/63/20/1079096320.db2.gz ZQPYVIYOMACHMF-UXHICEINSA-N 2 0 407.603 0.853 20 0 HCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000671173430 1079096386 /nfs/dbraw/zinc/09/63/86/1079096386.db2.gz ZQPYVIYOMACHMF-VQTJNVASSA-N 2 0 407.603 0.853 20 0 HCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000671173431 1079096500 /nfs/dbraw/zinc/09/65/00/1079096500.db2.gz ZQPYVIYOMACHMF-WOJBJXKFSA-N 2 0 407.603 0.853 20 0 HCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000671180859 1079098897 /nfs/dbraw/zinc/09/88/97/1079098897.db2.gz FZNSRHRZANLTRM-PMACEKPBSA-N 2 0 405.587 0.746 20 0 HCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000671180860 1079098758 /nfs/dbraw/zinc/09/87/58/1079098758.db2.gz FZNSRHRZANLTRM-UXHICEINSA-N 2 0 405.587 0.746 20 0 HCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC000671180861 1079098864 /nfs/dbraw/zinc/09/88/64/1079098864.db2.gz FZNSRHRZANLTRM-VQTJNVASSA-N 2 0 405.587 0.746 20 0 HCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC000671180862 1079098958 /nfs/dbraw/zinc/09/89/58/1079098958.db2.gz FZNSRHRZANLTRM-WOJBJXKFSA-N 2 0 405.587 0.746 20 0 HCADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000671181330 1079099943 /nfs/dbraw/zinc/09/99/43/1079099943.db2.gz MLXYCNHYGNEDJN-MSOLQXFVSA-N 2 0 400.527 0.193 20 0 HCADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000671181331 1079099775 /nfs/dbraw/zinc/09/97/75/1079099775.db2.gz MLXYCNHYGNEDJN-QZTJIDSGSA-N 2 0 400.527 0.193 20 0 HCADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000671181332 1079099903 /nfs/dbraw/zinc/09/99/03/1079099903.db2.gz MLXYCNHYGNEDJN-ROUUACIJSA-N 2 0 400.527 0.193 20 0 HCADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000671181333 1079099985 /nfs/dbraw/zinc/09/99/85/1079099985.db2.gz MLXYCNHYGNEDJN-ZWKOTPCHSA-N 2 0 400.527 0.193 20 0 HCADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000671279687 1079159356 /nfs/dbraw/zinc/15/93/56/1079159356.db2.gz OICOUKWJJNBNGZ-GOSISDBHSA-N 2 0 402.499 0.811 20 0 HCADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000671279688 1079159588 /nfs/dbraw/zinc/15/95/88/1079159588.db2.gz OICOUKWJJNBNGZ-SFHVURJKSA-N 2 0 402.499 0.811 20 0 HCADRP Cc1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[NH+](C)C)cc1 ZINC000671341801 1079229204 /nfs/dbraw/zinc/22/92/04/1079229204.db2.gz HTLDQPYBFCNSAV-CTNGQTDRSA-N 2 0 415.582 0.999 20 0 HCADRP Cc1ccc([C@H](CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[NH+](C)C)cc1 ZINC000671341806 1079229377 /nfs/dbraw/zinc/22/93/77/1079229377.db2.gz HTLDQPYBFCNSAV-FPOVZHCZSA-N 2 0 415.582 0.999 20 0 HCADRP Cc1ccc([C@@H](CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[NH+](C)C)cc1 ZINC000671341808 1079229073 /nfs/dbraw/zinc/22/90/73/1079229073.db2.gz HTLDQPYBFCNSAV-PZJWPPBQSA-N 2 0 415.582 0.999 20 0 HCADRP Cc1ccc([C@@H](CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[NH+](C)C)cc1 ZINC000671341810 1079229441 /nfs/dbraw/zinc/22/94/41/1079229441.db2.gz HTLDQPYBFCNSAV-TZIWHRDSSA-N 2 0 415.582 0.999 20 0 HCADRP Cc1ccc([C@@H](CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)[NH+](C)C)cc1 ZINC000671341917 1079228602 /nfs/dbraw/zinc/22/86/02/1079228602.db2.gz SVYSBQXRTVKDKZ-LEWJYISDSA-N 2 0 415.582 0.952 20 0 HCADRP Cc1ccc([C@@H](CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)[NH+](C)C)cc1 ZINC000671341918 1079228866 /nfs/dbraw/zinc/22/88/66/1079228866.db2.gz SVYSBQXRTVKDKZ-NHCUHLMSSA-N 2 0 415.582 0.952 20 0 HCADRP Cc1ccc([C@H](CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)[NH+](C)C)cc1 ZINC000671341919 1079228729 /nfs/dbraw/zinc/22/87/29/1079228729.db2.gz SVYSBQXRTVKDKZ-RTWAWAEBSA-N 2 0 415.582 0.952 20 0 HCADRP Cc1ccc([C@H](CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)[NH+](C)C)cc1 ZINC000671341920 1079228847 /nfs/dbraw/zinc/22/88/47/1079228847.db2.gz SVYSBQXRTVKDKZ-SFTDATJTSA-N 2 0 415.582 0.952 20 0 HCADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000671343491 1079233485 /nfs/dbraw/zinc/23/34/85/1079233485.db2.gz LFVGSMPBGBNLHX-LEWJYISDSA-N 2 0 415.582 0.514 20 0 HCADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000671343492 1079233581 /nfs/dbraw/zinc/23/35/81/1079233581.db2.gz LFVGSMPBGBNLHX-NHCUHLMSSA-N 2 0 415.582 0.514 20 0 HCADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000671343493 1079233295 /nfs/dbraw/zinc/23/32/95/1079233295.db2.gz LFVGSMPBGBNLHX-RTWAWAEBSA-N 2 0 415.582 0.514 20 0 HCADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000671343494 1079233389 /nfs/dbraw/zinc/23/33/89/1079233389.db2.gz LFVGSMPBGBNLHX-SFTDATJTSA-N 2 0 415.582 0.514 20 0 HCADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671343495 1079233537 /nfs/dbraw/zinc/23/35/37/1079233537.db2.gz LUCZCGNAOQSJKL-PMACEKPBSA-N 2 0 415.582 0.560 20 0 HCADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671343496 1079233428 /nfs/dbraw/zinc/23/34/28/1079233428.db2.gz LUCZCGNAOQSJKL-UXHICEINSA-N 2 0 415.582 0.560 20 0 HCADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671343497 1079233181 /nfs/dbraw/zinc/23/31/81/1079233181.db2.gz LUCZCGNAOQSJKL-VQTJNVASSA-N 2 0 415.582 0.560 20 0 HCADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671343498 1079234024 /nfs/dbraw/zinc/23/40/24/1079234024.db2.gz LUCZCGNAOQSJKL-WOJBJXKFSA-N 2 0 415.582 0.560 20 0 HCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)([NH+](C)C)C1 ZINC000671370143 1079260798 /nfs/dbraw/zinc/26/07/98/1079260798.db2.gz CUHCCIVKOHOEAY-DXIQSLLYSA-N 2 0 407.603 0.852 20 0 HCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)([NH+](C)C)C1 ZINC000671370144 1079260777 /nfs/dbraw/zinc/26/07/77/1079260777.db2.gz CUHCCIVKOHOEAY-KNKQGSTJSA-N 2 0 407.603 0.852 20 0 HCADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)([NH+](C)C)C1 ZINC000671370145 1079261036 /nfs/dbraw/zinc/26/10/36/1079261036.db2.gz CUHCCIVKOHOEAY-WOIUINJBSA-N 2 0 407.603 0.852 20 0 HCADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)([NH+](C)C)C1 ZINC000671370146 1079260879 /nfs/dbraw/zinc/26/08/79/1079260879.db2.gz CUHCCIVKOHOEAY-XQBPLPMBSA-N 2 0 407.603 0.852 20 0 HCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)([NH+](C)C)C1 ZINC000671370255 1079261073 /nfs/dbraw/zinc/26/10/73/1079261073.db2.gz SXAOCIDSPZRFSL-FGSXEWAUSA-N 2 0 407.603 0.898 20 0 HCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)([NH+](C)C)C1 ZINC000671370256 1079260898 /nfs/dbraw/zinc/26/08/98/1079260898.db2.gz SXAOCIDSPZRFSL-HMFYCAOWSA-N 2 0 407.603 0.898 20 0 HCADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)([NH+](C)C)C1 ZINC000671370257 1079260637 /nfs/dbraw/zinc/26/06/37/1079260637.db2.gz SXAOCIDSPZRFSL-JBYIUTFZSA-N 2 0 407.603 0.898 20 0 HCADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)([NH+](C)C)C1 ZINC000671370258 1079260973 /nfs/dbraw/zinc/26/09/73/1079260973.db2.gz SXAOCIDSPZRFSL-KGVIQGDOSA-N 2 0 407.603 0.898 20 0 HCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000671374274 1079269135 /nfs/dbraw/zinc/26/91/35/1079269135.db2.gz OXUBENRSOQSCMX-FQEVSTJZSA-N 2 0 402.539 0.946 20 0 HCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000671374275 1079269708 /nfs/dbraw/zinc/26/97/08/1079269708.db2.gz OXUBENRSOQSCMX-HXUWFJFHSA-N 2 0 402.539 0.946 20 0 HCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)CC1 ZINC000671376051 1079271205 /nfs/dbraw/zinc/27/12/05/1079271205.db2.gz XKXZFBIGTGJNFC-UHFFFAOYSA-N 2 0 407.603 0.852 20 0 HCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000671376193 1080385152 /nfs/dbraw/zinc/38/51/52/1080385152.db2.gz NQSSVLYNMQXCRD-UHFFFAOYSA-N 2 0 407.603 0.852 20 0 HCADRP CC[NH+]1CCC(CNC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000671376431 1079272279 /nfs/dbraw/zinc/27/22/79/1079272279.db2.gz ZVXSJWQXPBITHQ-UHFFFAOYSA-N 2 0 402.543 0.298 20 0 HCADRP CCC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000671376754 1079272561 /nfs/dbraw/zinc/27/25/61/1079272561.db2.gz ASNLDPXYGZPUJF-FQEVSTJZSA-N 2 0 407.603 0.852 20 0 HCADRP CCC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000671376755 1079272485 /nfs/dbraw/zinc/27/24/85/1079272485.db2.gz ASNLDPXYGZPUJF-HXUWFJFHSA-N 2 0 407.603 0.852 20 0 HCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000671383728 1079274814 /nfs/dbraw/zinc/27/48/14/1079274814.db2.gz FBKNJWWXFXNXQW-PMACEKPBSA-N 2 0 401.555 0.377 20 0 HCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000671383729 1079274576 /nfs/dbraw/zinc/27/45/76/1079274576.db2.gz FBKNJWWXFXNXQW-UXHICEINSA-N 2 0 401.555 0.377 20 0 HCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000671383731 1081285803 /nfs/dbraw/zinc/28/58/03/1081285803.db2.gz FBKNJWWXFXNXQW-VQTJNVASSA-N 2 0 401.555 0.377 20 0 HCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000671383733 1081286548 /nfs/dbraw/zinc/28/65/48/1081286548.db2.gz FBKNJWWXFXNXQW-WOJBJXKFSA-N 2 0 401.555 0.377 20 0 HCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000671388135 1079275993 /nfs/dbraw/zinc/27/59/93/1079275993.db2.gz MPZCBRHBWZOOPQ-PMACEKPBSA-N 2 0 402.539 0.852 20 0 HCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000671388136 1079276230 /nfs/dbraw/zinc/27/62/30/1079276230.db2.gz MPZCBRHBWZOOPQ-UXHICEINSA-N 2 0 402.539 0.852 20 0 HCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000671388137 1081349240 /nfs/dbraw/zinc/34/92/40/1081349240.db2.gz MPZCBRHBWZOOPQ-VQTJNVASSA-N 2 0 402.539 0.852 20 0 HCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000671388138 1079276096 /nfs/dbraw/zinc/27/60/96/1079276096.db2.gz MPZCBRHBWZOOPQ-WOJBJXKFSA-N 2 0 402.539 0.852 20 0 HCADRP C[N@H+](CCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)Cc1ccccc1 ZINC000671390342 1079278850 /nfs/dbraw/zinc/27/88/50/1079278850.db2.gz AQKUVSRAUWHUKW-FQEVSTJZSA-N 2 0 401.555 0.473 20 0 HCADRP C[N@H+](CCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)Cc1ccccc1 ZINC000671390343 1079278515 /nfs/dbraw/zinc/27/85/15/1079278515.db2.gz AQKUVSRAUWHUKW-HXUWFJFHSA-N 2 0 401.555 0.473 20 0 HCADRP CN(C(=O)C(=O)NCC[N@H+](C)Cc1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671390387 1079278928 /nfs/dbraw/zinc/27/89/28/1079278928.db2.gz PUHFZQCKUVVHKS-NRFANRHFSA-N 2 0 415.582 0.862 20 0 HCADRP CN(C(=O)C(=O)NCC[N@H+](C)Cc1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671390388 1081362668 /nfs/dbraw/zinc/36/26/68/1081362668.db2.gz PUHFZQCKUVVHKS-OAQYLSRUSA-N 2 0 415.582 0.862 20 0 HCADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000671390389 1079278953 /nfs/dbraw/zinc/27/89/53/1079278953.db2.gz QBCXWKCRMPZNCI-IBGZPJMESA-N 2 0 401.555 0.519 20 0 HCADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000671390390 1079279025 /nfs/dbraw/zinc/27/90/25/1079279025.db2.gz QBCXWKCRMPZNCI-LJQANCHMSA-N 2 0 401.555 0.519 20 0 HCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)c1 ZINC000671396703 1079284293 /nfs/dbraw/zinc/28/42/93/1079284293.db2.gz HQDMRSFVYWIMKQ-NRFANRHFSA-N 2 0 415.582 0.993 20 0 HCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)c1 ZINC000671396704 1079284375 /nfs/dbraw/zinc/28/43/75/1079284375.db2.gz HQDMRSFVYWIMKQ-OAQYLSRUSA-N 2 0 415.582 0.993 20 0 HCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671404215 1079287250 /nfs/dbraw/zinc/28/72/50/1079287250.db2.gz VADDCLVIUKTFBX-GGPKGHCWSA-N 2 0 407.603 0.850 20 0 HCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671404216 1079287090 /nfs/dbraw/zinc/28/70/90/1079287090.db2.gz VADDCLVIUKTFBX-HBFSDRIKSA-N 2 0 407.603 0.850 20 0 HCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671404217 1079287509 /nfs/dbraw/zinc/28/75/09/1079287509.db2.gz VADDCLVIUKTFBX-QWFCFKBJSA-N 2 0 407.603 0.850 20 0 HCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671404218 1079287384 /nfs/dbraw/zinc/28/73/84/1079287384.db2.gz VADDCLVIUKTFBX-WSTZPKSXSA-N 2 0 407.603 0.850 20 0 HCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000671405424 1079289340 /nfs/dbraw/zinc/28/93/40/1079289340.db2.gz WNEVPIZJUSJGTB-UHFFFAOYSA-N 2 0 404.490 0.579 20 0 HCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671406401 1079289448 /nfs/dbraw/zinc/28/94/48/1079289448.db2.gz FMQGPELWKGTSPM-FCGDIQPGSA-N 2 0 407.603 0.754 20 0 HCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671406403 1079289174 /nfs/dbraw/zinc/28/91/74/1079289174.db2.gz FMQGPELWKGTSPM-HCXYKTFWSA-N 2 0 407.603 0.754 20 0 HCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671406404 1079289231 /nfs/dbraw/zinc/28/92/31/1079289231.db2.gz FMQGPELWKGTSPM-RDGPPVDQSA-N 2 0 407.603 0.754 20 0 HCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671406410 1079289096 /nfs/dbraw/zinc/28/90/96/1079289096.db2.gz FMQGPELWKGTSPM-ZSYWTGECSA-N 2 0 407.603 0.754 20 0 HCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000671406542 1079290754 /nfs/dbraw/zinc/29/07/54/1079290754.db2.gz TWPPJDNOUBLNOM-IYWMVGAKSA-N 2 0 407.603 0.707 20 0 HCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000671406543 1079290835 /nfs/dbraw/zinc/29/08/35/1079290835.db2.gz TWPPJDNOUBLNOM-WCIQWLHISA-N 2 0 407.603 0.707 20 0 HCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000671406544 1079290872 /nfs/dbraw/zinc/29/08/72/1079290872.db2.gz TWPPJDNOUBLNOM-YRPNKDGESA-N 2 0 407.603 0.707 20 0 HCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000671406545 1079290716 /nfs/dbraw/zinc/29/07/16/1079290716.db2.gz TWPPJDNOUBLNOM-ZGXWSNOMSA-N 2 0 407.603 0.707 20 0 HCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000671406954 1079290063 /nfs/dbraw/zinc/29/00/63/1079290063.db2.gz RACVMHATNQMIII-MSOLQXFVSA-N 2 0 407.603 0.898 20 0 HCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000671406955 1079290261 /nfs/dbraw/zinc/29/02/61/1079290261.db2.gz RACVMHATNQMIII-QZTJIDSGSA-N 2 0 407.603 0.898 20 0 HCADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000671406956 1079290172 /nfs/dbraw/zinc/29/01/72/1079290172.db2.gz RACVMHATNQMIII-ROUUACIJSA-N 2 0 407.603 0.898 20 0 HCADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000671406957 1079289923 /nfs/dbraw/zinc/28/99/23/1079289923.db2.gz RACVMHATNQMIII-ZWKOTPCHSA-N 2 0 407.603 0.898 20 0 HCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC000671407003 1079289556 /nfs/dbraw/zinc/28/95/56/1079289556.db2.gz VBGNROHPWUDSEL-MOPGFXCFSA-N 2 0 407.603 0.852 20 0 HCADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC000671407004 1079289390 /nfs/dbraw/zinc/28/93/90/1079289390.db2.gz VBGNROHPWUDSEL-OALUTQOASA-N 2 0 407.603 0.852 20 0 HCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000671802424 1080027369 /nfs/dbraw/zinc/02/73/69/1080027369.db2.gz ZZGISXCKPPHBIA-FQEVSTJZSA-N 2 0 401.555 0.377 20 0 HCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000671802435 1080027547 /nfs/dbraw/zinc/02/75/47/1080027547.db2.gz ZZGISXCKPPHBIA-HXUWFJFHSA-N 2 0 401.555 0.377 20 0 HCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000671802497 1080027463 /nfs/dbraw/zinc/02/74/63/1080027463.db2.gz AUSGWYIHQKOOBU-FQEVSTJZSA-N 2 0 402.539 0.852 20 0 HCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000671802498 1080027419 /nfs/dbraw/zinc/02/74/19/1080027419.db2.gz AUSGWYIHQKOOBU-HXUWFJFHSA-N 2 0 402.539 0.852 20 0 HCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671821599 1080040752 /nfs/dbraw/zinc/04/07/52/1080040752.db2.gz UAMOXXUKWUCFFA-UHFFFAOYSA-N 2 0 411.506 0.987 20 0 HCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NCCC3CC[NH+](C)CC3)CC2)CC1 ZINC000671849129 1080063512 /nfs/dbraw/zinc/06/35/12/1080063512.db2.gz RQEADHULCRULEA-UHFFFAOYSA-N 2 0 407.603 0.852 20 0 HCADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000671869167 1080080873 /nfs/dbraw/zinc/08/08/73/1080080873.db2.gz VDLQQOKLJNKRAV-GOSISDBHSA-N 2 0 400.527 0.050 20 0 HCADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000671869168 1080081553 /nfs/dbraw/zinc/08/15/53/1080081553.db2.gz VDLQQOKLJNKRAV-SFHVURJKSA-N 2 0 400.527 0.050 20 0 HCADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000671869275 1080080918 /nfs/dbraw/zinc/08/09/18/1080080918.db2.gz UAJAGCTXTACRJS-UHFFFAOYSA-N 2 0 423.521 0.193 20 0 HCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000671869301 1080081112 /nfs/dbraw/zinc/08/11/12/1080081112.db2.gz IJDYELWKAIIPEP-GOSISDBHSA-N 2 0 402.543 0.440 20 0 HCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000671869302 1080080984 /nfs/dbraw/zinc/08/09/84/1080080984.db2.gz IJDYELWKAIIPEP-SFHVURJKSA-N 2 0 402.543 0.440 20 0 HCADRP C[C@H](NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000671869396 1080083732 /nfs/dbraw/zinc/08/37/32/1080083732.db2.gz KCJXCPHIEQNHRO-INIZCTEOSA-N 2 0 402.543 0.296 20 0 HCADRP C[C@@H](NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000671869397 1080083656 /nfs/dbraw/zinc/08/36/56/1080083656.db2.gz KCJXCPHIEQNHRO-MRXNPFEDSA-N 2 0 402.543 0.296 20 0 HCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000671869552 1080089254 /nfs/dbraw/zinc/08/92/54/1080089254.db2.gz MSKXJJMCFUPYCT-GOSISDBHSA-N 2 0 402.543 0.439 20 0 HCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000671869553 1080082155 /nfs/dbraw/zinc/08/21/55/1080082155.db2.gz MSKXJJMCFUPYCT-SFHVURJKSA-N 2 0 402.543 0.439 20 0 HCADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000671869557 1080082727 /nfs/dbraw/zinc/08/27/27/1080082727.db2.gz ONURCTMKAFJODE-IBGZPJMESA-N 2 0 414.554 0.536 20 0 HCADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000671869558 1080082607 /nfs/dbraw/zinc/08/26/07/1080082607.db2.gz ONURCTMKAFJODE-LJQANCHMSA-N 2 0 414.554 0.536 20 0 HCADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000671869578 1080082827 /nfs/dbraw/zinc/08/28/27/1080082827.db2.gz YLYGQGVEDYQQCB-IBGZPJMESA-N 2 0 414.554 0.536 20 0 HCADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000671869579 1080082563 /nfs/dbraw/zinc/08/25/63/1080082563.db2.gz YLYGQGVEDYQQCB-LJQANCHMSA-N 2 0 414.554 0.536 20 0 HCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000671869671 1080097222 /nfs/dbraw/zinc/09/72/22/1080097222.db2.gz RXRKEYYOTWFIST-UHFFFAOYSA-N 2 0 402.543 0.392 20 0 HCADRP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[NH+]1CCC(C)CC1 ZINC000671872683 1080088301 /nfs/dbraw/zinc/08/83/01/1080088301.db2.gz PGDSJWXCXQSZBK-AZUAARDMSA-N 2 0 407.603 0.850 20 0 HCADRP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)[NH+]1CCC(C)CC1 ZINC000671872684 1080088260 /nfs/dbraw/zinc/08/82/60/1080088260.db2.gz PGDSJWXCXQSZBK-ICSRJNTNSA-N 2 0 407.603 0.850 20 0 HCADRP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)[NH+]1CCC(C)CC1 ZINC000671872685 1080088098 /nfs/dbraw/zinc/08/80/98/1080088098.db2.gz PGDSJWXCXQSZBK-QUCCMNQESA-N 2 0 407.603 0.850 20 0 HCADRP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[NH+]1CCC(C)CC1 ZINC000671872686 1080088003 /nfs/dbraw/zinc/08/80/03/1080088003.db2.gz PGDSJWXCXQSZBK-UYAOXDASSA-N 2 0 407.603 0.850 20 0 HCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000671880774 1080103242 /nfs/dbraw/zinc/10/32/42/1080103242.db2.gz IWLPMVCVUKMLIF-AZUAARDMSA-N 3 0 407.603 0.850 20 0 HCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000671880775 1080102769 /nfs/dbraw/zinc/10/27/69/1080102769.db2.gz IWLPMVCVUKMLIF-ICSRJNTNSA-N 3 0 407.603 0.850 20 0 HCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000671880776 1080104125 /nfs/dbraw/zinc/10/41/25/1080104125.db2.gz IWLPMVCVUKMLIF-QUCCMNQESA-N 2 0 407.603 0.850 20 0 HCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000671880777 1080104387 /nfs/dbraw/zinc/10/43/87/1080104387.db2.gz IWLPMVCVUKMLIF-UYAOXDASSA-N 2 0 407.603 0.850 20 0 HCADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000671893666 1080108400 /nfs/dbraw/zinc/10/84/00/1080108400.db2.gz CPMZWLSHMZGGHD-PMACEKPBSA-N 2 0 407.603 0.996 20 0 HCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000671893667 1080108745 /nfs/dbraw/zinc/10/87/45/1080108745.db2.gz CPMZWLSHMZGGHD-UXHICEINSA-N 2 0 407.603 0.996 20 0 HCADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000671893668 1080108526 /nfs/dbraw/zinc/10/85/26/1080108526.db2.gz CPMZWLSHMZGGHD-VQTJNVASSA-N 2 0 407.603 0.996 20 0 HCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000671893669 1080110137 /nfs/dbraw/zinc/11/01/37/1080110137.db2.gz CPMZWLSHMZGGHD-WOJBJXKFSA-N 2 0 407.603 0.996 20 0 HCADRP C[C@H](NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)C1CC[NH+](C)CC1 ZINC000671912322 1080126609 /nfs/dbraw/zinc/12/66/09/1080126609.db2.gz NIUPYOBSEFESTO-INIZCTEOSA-N 2 0 417.554 0.441 20 0 HCADRP C[C@@H](NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)C1CC[NH+](C)CC1 ZINC000671912327 1080127131 /nfs/dbraw/zinc/12/71/31/1080127131.db2.gz NIUPYOBSEFESTO-MRXNPFEDSA-N 2 0 417.554 0.441 20 0 HCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000671912328 1080126632 /nfs/dbraw/zinc/12/66/32/1080126632.db2.gz NOVOMBUXRFVFNF-GOSISDBHSA-N 2 0 403.527 0.147 20 0 HCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000671912329 1080126875 /nfs/dbraw/zinc/12/68/75/1080126875.db2.gz NOVOMBUXRFVFNF-SFHVURJKSA-N 2 0 403.527 0.147 20 0 HCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000671912552 1080126929 /nfs/dbraw/zinc/12/69/29/1080126929.db2.gz AEPZTOOUJHJGDK-IBGZPJMESA-N 2 0 415.538 0.195 20 0 HCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000671912553 1080126667 /nfs/dbraw/zinc/12/66/67/1080126667.db2.gz AEPZTOOUJHJGDK-LJQANCHMSA-N 2 0 415.538 0.195 20 0 HCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000671912663 1080125947 /nfs/dbraw/zinc/12/59/47/1080125947.db2.gz LLZMZXDDGXJJMP-IBGZPJMESA-N 2 0 417.554 0.583 20 0 HCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000671912664 1080125840 /nfs/dbraw/zinc/12/58/40/1080125840.db2.gz LLZMZXDDGXJJMP-LJQANCHMSA-N 2 0 417.554 0.583 20 0 HCADRP COc1cccc(CNC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000671919131 1080139983 /nfs/dbraw/zinc/13/99/83/1080139983.db2.gz APQKWZVVMDXGJI-UHFFFAOYSA-N 2 0 412.494 0.430 20 0 HCADRP CCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000671941178 1080160005 /nfs/dbraw/zinc/16/00/05/1080160005.db2.gz DDEYWSOMMKURNV-FQEVSTJZSA-N 2 0 407.603 0.994 20 0 HCADRP CCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000671941179 1080159641 /nfs/dbraw/zinc/15/96/41/1080159641.db2.gz DDEYWSOMMKURNV-HXUWFJFHSA-N 2 0 407.603 0.994 20 0 HCADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000671941649 1080158800 /nfs/dbraw/zinc/15/88/00/1080158800.db2.gz JBHNPXYBVZELRD-UHFFFAOYSA-N 2 0 407.559 0.134 20 0 HCADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)CC2)CC1 ZINC000671950328 1080178181 /nfs/dbraw/zinc/17/81/81/1080178181.db2.gz AFPGUSVNEWGMEJ-UHFFFAOYSA-N 2 0 414.554 0.405 20 0 HCADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)CC2)CC1 ZINC000671950827 1080177391 /nfs/dbraw/zinc/17/73/91/1080177391.db2.gz ZZPWPYSTUBFMAO-FQEVSTJZSA-N 2 0 405.587 0.748 20 0 HCADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)CC2)CC1 ZINC000671950828 1080177185 /nfs/dbraw/zinc/17/71/85/1080177185.db2.gz ZZPWPYSTUBFMAO-HXUWFJFHSA-N 2 0 405.587 0.748 20 0 HCADRP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000671954516 1080159919 /nfs/dbraw/zinc/15/99/19/1080159919.db2.gz BHSPDWVPEOVEHR-DOTOQJQBSA-N 2 0 405.518 0.965 20 0 HCADRP C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000671954517 1080160215 /nfs/dbraw/zinc/16/02/15/1080160215.db2.gz BHSPDWVPEOVEHR-NVXWUHKLSA-N 2 0 405.518 0.965 20 0 HCADRP C[C@H](NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000671954518 1080159461 /nfs/dbraw/zinc/15/94/61/1080159461.db2.gz BHSPDWVPEOVEHR-RDJZCZTQSA-N 2 0 405.518 0.965 20 0 HCADRP C[C@@H](NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000671954519 1080160094 /nfs/dbraw/zinc/16/00/94/1080160094.db2.gz BHSPDWVPEOVEHR-WBVHZDCISA-N 2 0 405.518 0.965 20 0 HCADRP C[NH+](C)C1(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCCCCC1 ZINC000671981333 1080196254 /nfs/dbraw/zinc/19/62/54/1080196254.db2.gz SFUGVAAXICBIEA-KRWDZBQOSA-N 2 0 409.575 0.461 20 0 HCADRP C[NH+](C)C1(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCCCCC1 ZINC000671981335 1080196334 /nfs/dbraw/zinc/19/63/34/1080196334.db2.gz SFUGVAAXICBIEA-QGZVFWFLSA-N 2 0 409.575 0.461 20 0 HCADRP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCCO1 ZINC000672001717 1080225317 /nfs/dbraw/zinc/22/53/17/1080225317.db2.gz DGYGGIHCFMQXNI-HKUYNNGSSA-N 2 0 403.527 0.784 20 0 HCADRP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCCO1 ZINC000672001718 1080225416 /nfs/dbraw/zinc/22/54/16/1080225416.db2.gz DGYGGIHCFMQXNI-IEBWSBKVSA-N 2 0 403.527 0.784 20 0 HCADRP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCCO1 ZINC000672001719 1080222226 /nfs/dbraw/zinc/22/22/26/1080222226.db2.gz DGYGGIHCFMQXNI-MJGOQNOKSA-N 2 0 403.527 0.784 20 0 HCADRP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCCO1 ZINC000672001720 1080222303 /nfs/dbraw/zinc/22/23/03/1080222303.db2.gz DGYGGIHCFMQXNI-PKOBYXMFSA-N 2 0 403.527 0.784 20 0 HCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000672001721 1080222208 /nfs/dbraw/zinc/22/22/08/1080222208.db2.gz DXHAZOVGHLCVPD-IBGZPJMESA-N 3 0 416.570 0.699 20 0 HCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000672001722 1080222274 /nfs/dbraw/zinc/22/22/74/1080222274.db2.gz DXHAZOVGHLCVPD-LJQANCHMSA-N 3 0 416.570 0.699 20 0 HCADRP COC[C@H]1CCCCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000672001723 1080222339 /nfs/dbraw/zinc/22/23/39/1080222339.db2.gz FFUIXRHQHTUYIM-IBGZPJMESA-N 2 0 417.554 0.985 20 0 HCADRP COC[C@@H]1CCCCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000672001724 1080222385 /nfs/dbraw/zinc/22/23/85/1080222385.db2.gz FFUIXRHQHTUYIM-LJQANCHMSA-N 2 0 417.554 0.985 20 0 HCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCOCC2(CCC2)C1 ZINC000672001725 1080222248 /nfs/dbraw/zinc/22/22/48/1080222248.db2.gz FRJUQJRGHMONKL-UHFFFAOYSA-N 2 0 415.538 0.739 20 0 HCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672001745 1080222145 /nfs/dbraw/zinc/22/21/45/1080222145.db2.gz AOEXMGSCAKRPRV-IBGZPJMESA-N 3 0 414.554 0.310 20 0 HCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672001748 1080222098 /nfs/dbraw/zinc/22/20/98/1080222098.db2.gz AOEXMGSCAKRPRV-LJQANCHMSA-N 3 0 414.554 0.310 20 0 HCADRP CN(CCOC(C)(C)C)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000672001763 1080222038 /nfs/dbraw/zinc/22/20/38/1080222038.db2.gz KQHLKZLMYOPOEU-UHFFFAOYSA-N 2 0 405.543 0.983 20 0 HCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000672001792 1080218309 /nfs/dbraw/zinc/21/83/09/1080218309.db2.gz NUGSREJXXJSYGN-IBGZPJMESA-N 3 0 416.570 0.701 20 0 HCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000672001793 1080218537 /nfs/dbraw/zinc/21/85/37/1080218537.db2.gz NUGSREJXXJSYGN-LJQANCHMSA-N 3 0 416.570 0.701 20 0 HCADRP C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000672001794 1080218577 /nfs/dbraw/zinc/21/85/77/1080218577.db2.gz NVAZFWUNUJTKGK-MSOLQXFVSA-N 2 0 403.527 0.641 20 0 HCADRP C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000672001795 1080218281 /nfs/dbraw/zinc/21/82/81/1080218281.db2.gz NVAZFWUNUJTKGK-QZTJIDSGSA-N 2 0 403.527 0.641 20 0 HCADRP C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000672001796 1080218888 /nfs/dbraw/zinc/21/88/88/1080218888.db2.gz NVAZFWUNUJTKGK-ROUUACIJSA-N 2 0 403.527 0.641 20 0 HCADRP C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000672001798 1080218965 /nfs/dbraw/zinc/21/89/65/1080218965.db2.gz NVAZFWUNUJTKGK-ZWKOTPCHSA-N 2 0 403.527 0.641 20 0 HCADRP CCO[C@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000672001818 1080219115 /nfs/dbraw/zinc/21/91/15/1080219115.db2.gz LDGOOVKZWHNEPW-IBGZPJMESA-N 2 0 403.527 0.737 20 0 HCADRP CCO[C@@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000672001819 1080218942 /nfs/dbraw/zinc/21/89/42/1080218942.db2.gz LDGOOVKZWHNEPW-LJQANCHMSA-N 2 0 403.527 0.737 20 0 HCADRP CC(C)(C)CN(CCO)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000672001820 1080219054 /nfs/dbraw/zinc/21/90/54/1080219054.db2.gz LKFSPSYCHBRVCS-UHFFFAOYSA-N 2 0 405.543 0.577 20 0 HCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1ccc(F)cn1 ZINC000672001831 1080219011 /nfs/dbraw/zinc/21/90/11/1080219011.db2.gz SQUHJOYXTBANSA-UHFFFAOYSA-N 2 0 400.458 0.560 20 0 HCADRP COC[C@@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000672001847 1080219182 /nfs/dbraw/zinc/21/91/82/1080219182.db2.gz NNDLUQLFGSSYNV-GOSISDBHSA-N 2 0 415.494 0.807 20 0 HCADRP COC[C@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000672001854 1080219208 /nfs/dbraw/zinc/21/92/08/1080219208.db2.gz NNDLUQLFGSSYNV-SFHVURJKSA-N 2 0 415.494 0.807 20 0 HCADRP CCN(C[C@H]1CCOC1)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000672001862 1080219144 /nfs/dbraw/zinc/21/91/44/1080219144.db2.gz OQZDSQAVNCECGM-GOSISDBHSA-N 2 0 403.527 0.595 20 0 HCADRP CCN(C[C@@H]1CCOC1)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000672001865 1080219098 /nfs/dbraw/zinc/21/90/98/1080219098.db2.gz OQZDSQAVNCECGM-SFHVURJKSA-N 2 0 403.527 0.595 20 0 HCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCCC[C@H]1CCO ZINC000672001867 1080218993 /nfs/dbraw/zinc/21/89/93/1080218993.db2.gz WXNKNPFBMFJAJR-IBGZPJMESA-N 2 0 403.527 0.473 20 0 HCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCCC[C@@H]1CCO ZINC000672001870 1080218854 /nfs/dbraw/zinc/21/88/54/1080218854.db2.gz WXNKNPFBMFJAJR-LJQANCHMSA-N 2 0 403.527 0.473 20 0 HCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000672001888 1080219229 /nfs/dbraw/zinc/21/92/29/1080219229.db2.gz KQGSFPPYDWOURV-NRFANRHFSA-N 2 0 401.511 0.349 20 0 HCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000672001891 1080219197 /nfs/dbraw/zinc/21/91/97/1080219197.db2.gz KQGSFPPYDWOURV-OAQYLSRUSA-N 2 0 401.511 0.349 20 0 HCADRP COC1(CNC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCOCC1 ZINC000672001904 1080219030 /nfs/dbraw/zinc/21/90/30/1080219030.db2.gz SVTADMQRXPFDKN-UHFFFAOYSA-N 2 0 419.526 0.022 20 0 HCADRP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC[NH+](C)CC1 ZINC000672001912 1080219163 /nfs/dbraw/zinc/21/91/63/1080219163.db2.gz ZKHIJHLALKNLMB-GOSISDBHSA-N 3 0 416.570 0.556 20 0 HCADRP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC[NH+](C)CC1 ZINC000672001914 1080218914 /nfs/dbraw/zinc/21/89/14/1080218914.db2.gz ZKHIJHLALKNLMB-SFHVURJKSA-N 3 0 416.570 0.556 20 0 HCADRP Cc1nnc([C@H](C)NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000672001927 1080219076 /nfs/dbraw/zinc/21/90/76/1080219076.db2.gz VBXBGACZXPEYHB-AWEZNQCLSA-N 2 0 417.539 0.747 20 0 HCADRP Cc1nnc([C@@H](C)NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000672001933 1080224207 /nfs/dbraw/zinc/22/42/07/1080224207.db2.gz VBXBGACZXPEYHB-CQSZACIVSA-N 2 0 417.539 0.747 20 0 HCADRP Cc1cn2c(n1)CN(C(=O)C(=O)NCCC[NH+]1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000672002657 1080223772 /nfs/dbraw/zinc/22/37/72/1080223772.db2.gz GPICULPTMPJCOW-UHFFFAOYSA-N 2 0 411.510 0.257 20 0 HCADRP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(C)(C)C[NH+](C)C ZINC000672003378 1080229167 /nfs/dbraw/zinc/22/91/67/1080229167.db2.gz KYEWTBCGNYIFKR-GOSISDBHSA-N 3 0 418.586 0.802 20 0 HCADRP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(C)(C)C[NH+](C)C ZINC000672003379 1080229008 /nfs/dbraw/zinc/22/90/08/1080229008.db2.gz KYEWTBCGNYIFKR-SFHVURJKSA-N 3 0 418.586 0.802 20 0 HCADRP C[C@@H](NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CC[NH+](C)CC1 ZINC000672008997 1080232023 /nfs/dbraw/zinc/23/20/23/1080232023.db2.gz NFXDKAUSDWPFTO-BLMTVLTRSA-N 2 0 405.587 0.602 20 0 HCADRP C[C@H](NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CC[NH+](C)CC1 ZINC000672008998 1080232293 /nfs/dbraw/zinc/23/22/93/1080232293.db2.gz NFXDKAUSDWPFTO-DAABDDCCSA-N 2 0 405.587 0.602 20 0 HCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@H](C)C3CC[NH+](C)CC3)CC2)CC1 ZINC000672009775 1080231518 /nfs/dbraw/zinc/23/15/18/1080231518.db2.gz RVNPDLNHLDKMGK-GOSISDBHSA-N 2 0 407.603 0.850 20 0 HCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@@H](C)C3CC[NH+](C)CC3)CC2)CC1 ZINC000672009780 1080231672 /nfs/dbraw/zinc/23/16/72/1080231672.db2.gz RVNPDLNHLDKMGK-SFHVURJKSA-N 2 0 407.603 0.850 20 0 HCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)C(=O)N[C@@H](C)C3CC[NH+](C)CC3)CC2)C1 ZINC000672011092 1080234676 /nfs/dbraw/zinc/23/46/76/1080234676.db2.gz FVYYDYLQQGNKIU-AZUAARDMSA-N 2 0 423.602 0.086 20 0 HCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C(=O)N[C@@H](C)C3CC[NH+](C)CC3)CC2)C1 ZINC000672011093 1080234804 /nfs/dbraw/zinc/23/48/04/1080234804.db2.gz FVYYDYLQQGNKIU-ICSRJNTNSA-N 2 0 423.602 0.086 20 0 HCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C(=O)N[C@H](C)C3CC[NH+](C)CC3)CC2)C1 ZINC000672011094 1080234857 /nfs/dbraw/zinc/23/48/57/1080234857.db2.gz FVYYDYLQQGNKIU-QUCCMNQESA-N 2 0 423.602 0.086 20 0 HCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)C(=O)N[C@H](C)C3CC[NH+](C)CC3)CC2)C1 ZINC000672011095 1080234634 /nfs/dbraw/zinc/23/46/34/1080234634.db2.gz FVYYDYLQQGNKIU-UYAOXDASSA-N 2 0 423.602 0.086 20 0 HCADRP C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000672011503 1080234244 /nfs/dbraw/zinc/23/42/44/1080234244.db2.gz JQNOVSTZLRNJDN-GOSISDBHSA-N 2 0 407.603 0.899 20 0 HCADRP C[C@H](NC(=O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000672011504 1080234260 /nfs/dbraw/zinc/23/42/60/1080234260.db2.gz JQNOVSTZLRNJDN-SFHVURJKSA-N 2 0 407.603 0.899 20 0 HCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H](C)C3CC[NH+](C)CC3)CC2)CC1 ZINC000672012302 1080235660 /nfs/dbraw/zinc/23/56/60/1080235660.db2.gz PTRSKLGWSDUKHC-GOSISDBHSA-N 2 0 407.603 0.850 20 0 HCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H](C)C3CC[NH+](C)CC3)CC2)CC1 ZINC000672012303 1080235743 /nfs/dbraw/zinc/23/57/43/1080235743.db2.gz PTRSKLGWSDUKHC-SFHVURJKSA-N 2 0 407.603 0.850 20 0 HCADRP C[C@@H](NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)C1CC[NH+](C)CC1 ZINC000672012967 1080236686 /nfs/dbraw/zinc/23/66/86/1080236686.db2.gz DYXFWUHYNSXFDG-GOSISDBHSA-N 2 0 407.603 0.709 20 0 HCADRP C[C@H](NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)C1CC[NH+](C)CC1 ZINC000672012968 1080236488 /nfs/dbraw/zinc/23/64/88/1080236488.db2.gz DYXFWUHYNSXFDG-SFHVURJKSA-N 2 0 407.603 0.709 20 0 HCADRP C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1)C1CC[NH+](C)CC1 ZINC000672013826 1080240079 /nfs/dbraw/zinc/24/00/79/1080240079.db2.gz OBZYLFDHWCKEFX-KRWDZBQOSA-N 2 0 416.570 0.638 20 0 HCADRP C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1)C1CC[NH+](C)CC1 ZINC000672013827 1080239935 /nfs/dbraw/zinc/23/99/35/1080239935.db2.gz OBZYLFDHWCKEFX-QGZVFWFLSA-N 2 0 416.570 0.638 20 0 HCADRP C[C@H](NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC000672014242 1080238145 /nfs/dbraw/zinc/23/81/45/1080238145.db2.gz KYNQMSBPRUDPSH-INIZCTEOSA-N 2 0 423.602 0.576 20 0 HCADRP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC000672014247 1080238240 /nfs/dbraw/zinc/23/82/40/1080238240.db2.gz KYNQMSBPRUDPSH-MRXNPFEDSA-N 2 0 423.602 0.576 20 0 HCADRP C[C@H](NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000672014436 1080238220 /nfs/dbraw/zinc/23/82/20/1080238220.db2.gz MQOAYXVZVGGJBG-JXFKEZNVSA-N 2 0 402.539 0.716 20 0 HCADRP C[C@H](NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000672014437 1080238072 /nfs/dbraw/zinc/23/80/72/1080238072.db2.gz MQOAYXVZVGGJBG-OXJNMPFZSA-N 2 0 402.539 0.716 20 0 HCADRP C[C@@H](NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000672014438 1080238301 /nfs/dbraw/zinc/23/83/01/1080238301.db2.gz MQOAYXVZVGGJBG-OXQOHEQNSA-N 2 0 402.539 0.716 20 0 HCADRP C[C@@H](NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000672014439 1080238164 /nfs/dbraw/zinc/23/81/64/1080238164.db2.gz MQOAYXVZVGGJBG-UZLBHIALSA-N 2 0 402.539 0.716 20 0 HCADRP C[C@@H](NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)C1CC[NH+](C)CC1 ZINC000672015163 1080238950 /nfs/dbraw/zinc/23/89/50/1080238950.db2.gz RPUKESQRKBDRDO-CEXWTWQISA-N 2 0 407.603 0.850 20 0 HCADRP C[C@H](NC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)C1CC[NH+](C)CC1 ZINC000672015164 1080238942 /nfs/dbraw/zinc/23/89/42/1080238942.db2.gz RPUKESQRKBDRDO-FHWLQOOXSA-N 2 0 407.603 0.850 20 0 HCADRP C[C@H](NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)C1CC[NH+](C)CC1 ZINC000672015165 1080239055 /nfs/dbraw/zinc/23/90/55/1080239055.db2.gz RPUKESQRKBDRDO-OTWHNJEPSA-N 2 0 407.603 0.850 20 0 HCADRP C[C@H](NC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)C1CC[NH+](C)CC1 ZINC000672015166 1080239126 /nfs/dbraw/zinc/23/91/26/1080239126.db2.gz RPUKESQRKBDRDO-QRVBRYPASA-N 2 0 407.603 0.850 20 0 HCADRP CN(C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672102483 1080382237 /nfs/dbraw/zinc/38/22/37/1080382237.db2.gz ZKFBDJYUZGUFML-AFMYVXGZSA-N 2 0 407.603 0.850 20 0 HCADRP CN(C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672102484 1080382367 /nfs/dbraw/zinc/38/23/67/1080382367.db2.gz ZKFBDJYUZGUFML-QLOJAFMTSA-N 2 0 407.603 0.850 20 0 HCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000672111090 1080392801 /nfs/dbraw/zinc/39/28/01/1080392801.db2.gz SVPFPEKZXJJLLD-MSOLQXFVSA-N 2 0 407.559 0.132 20 0 HCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000672111091 1080393020 /nfs/dbraw/zinc/39/30/20/1080393020.db2.gz SVPFPEKZXJJLLD-QZTJIDSGSA-N 2 0 407.559 0.132 20 0 HCADRP 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COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC000672164664 1080473757 /nfs/dbraw/zinc/47/37/57/1080473757.db2.gz YNOHTIBRWGCODT-PMACEKPBSA-N 2 0 402.539 0.946 20 0 HCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC000672164665 1080473536 /nfs/dbraw/zinc/47/35/36/1080473536.db2.gz YNOHTIBRWGCODT-UXHICEINSA-N 2 0 402.539 0.946 20 0 HCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC000672164666 1080473684 /nfs/dbraw/zinc/47/36/84/1080473684.db2.gz YNOHTIBRWGCODT-VQTJNVASSA-N 2 0 402.539 0.946 20 0 HCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC000672164667 1080473919 /nfs/dbraw/zinc/47/39/19/1080473919.db2.gz YNOHTIBRWGCODT-WOJBJXKFSA-N 2 0 402.539 0.946 20 0 HCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000672165200 1080476328 /nfs/dbraw/zinc/47/63/28/1080476328.db2.gz LHOJSXHGNGGQJN-PMACEKPBSA-N 2 0 418.538 0.096 20 0 HCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000672165201 1080476247 /nfs/dbraw/zinc/47/62/47/1080476247.db2.gz LHOJSXHGNGGQJN-UXHICEINSA-N 2 0 418.538 0.096 20 0 HCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000672165202 1080476276 /nfs/dbraw/zinc/47/62/76/1080476276.db2.gz LHOJSXHGNGGQJN-VQTJNVASSA-N 2 0 418.538 0.096 20 0 HCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000672165203 1080476461 /nfs/dbraw/zinc/47/64/61/1080476461.db2.gz LHOJSXHGNGGQJN-WOJBJXKFSA-N 2 0 418.538 0.096 20 0 HCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672165718 1080475315 /nfs/dbraw/zinc/47/53/15/1080475315.db2.gz NLPPHOZZLIBUHY-FQEVSTJZSA-N 2 0 423.602 0.230 20 0 HCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672165719 1080475527 /nfs/dbraw/zinc/47/55/27/1080475527.db2.gz NLPPHOZZLIBUHY-HXUWFJFHSA-N 2 0 423.602 0.230 20 0 HCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000672203964 1080501525 /nfs/dbraw/zinc/50/15/25/1080501525.db2.gz RDCRSPRRJDFOQM-FQEVSTJZSA-N 2 0 407.603 0.994 20 0 HCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000672203965 1080501133 /nfs/dbraw/zinc/50/11/33/1080501133.db2.gz RDCRSPRRJDFOQM-HXUWFJFHSA-N 2 0 407.603 0.994 20 0 HCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000672204412 1080502715 /nfs/dbraw/zinc/50/27/15/1080502715.db2.gz XFAZUFWVZMHPDS-PMACEKPBSA-N 2 0 402.539 0.860 20 0 HCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000672204413 1080503188 /nfs/dbraw/zinc/50/31/88/1080503188.db2.gz XFAZUFWVZMHPDS-UXHICEINSA-N 2 0 402.539 0.860 20 0 HCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000672204414 1080503110 /nfs/dbraw/zinc/50/31/10/1080503110.db2.gz XFAZUFWVZMHPDS-VQTJNVASSA-N 2 0 402.539 0.860 20 0 HCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000672204415 1080502903 /nfs/dbraw/zinc/50/29/03/1080502903.db2.gz XFAZUFWVZMHPDS-WOJBJXKFSA-N 2 0 402.539 0.860 20 0 HCADRP O[C@@H]1CCC[C@H]1[NH+]1CCN(c2cncc(N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)n2)CC1 ZINC000672207518 1080506997 /nfs/dbraw/zinc/50/69/97/1080506997.db2.gz PUCUFIPLSIPUIU-IYWMVGAKSA-N 2 0 416.570 0.547 20 0 HCADRP O[C@@H]1CCC[C@@H]1[NH+]1CCN(c2cncc(N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)n2)CC1 ZINC000672207519 1080506450 /nfs/dbraw/zinc/50/64/50/1080506450.db2.gz PUCUFIPLSIPUIU-JVSBHGNQSA-N 2 0 416.570 0.547 20 0 HCADRP O[C@@H]1CCC[C@@H]1[NH+]1CCN(c2cncc(N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)n2)CC1 ZINC000672207520 1080507056 /nfs/dbraw/zinc/50/70/56/1080507056.db2.gz PUCUFIPLSIPUIU-LWYYNNOASA-N 2 0 416.570 0.547 20 0 HCADRP O[C@@H]1CCC[C@@H]1[NH+]1CCN(c2cncc(N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)n2)CC1 ZINC000672207521 1080506509 /nfs/dbraw/zinc/50/65/09/1080506509.db2.gz PUCUFIPLSIPUIU-VNTMZGSJSA-N 2 0 416.570 0.547 20 0 HCADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672224638 1080512209 /nfs/dbraw/zinc/51/22/09/1080512209.db2.gz WBMCKMGDBUJFMN-FQEVSTJZSA-N 2 0 414.550 0.860 20 0 HCADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672224639 1080512510 /nfs/dbraw/zinc/51/25/10/1080512510.db2.gz WBMCKMGDBUJFMN-HXUWFJFHSA-N 2 0 414.550 0.860 20 0 HCADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000672247603 1080526651 /nfs/dbraw/zinc/52/66/51/1080526651.db2.gz ACIJMEDCDOPBCF-MOPGFXCFSA-N 2 0 415.538 0.211 20 0 HCADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000672247604 1080526742 /nfs/dbraw/zinc/52/67/42/1080526742.db2.gz ACIJMEDCDOPBCF-OALUTQOASA-N 2 0 415.538 0.211 20 0 HCADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000672247605 1080526233 /nfs/dbraw/zinc/52/62/33/1080526233.db2.gz ACIJMEDCDOPBCF-RBUKOAKNSA-N 2 0 415.538 0.211 20 0 HCADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000672247606 1080526447 /nfs/dbraw/zinc/52/64/47/1080526447.db2.gz ACIJMEDCDOPBCF-RTBURBONSA-N 2 0 415.538 0.211 20 0 HCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000672256780 1080531799 /nfs/dbraw/zinc/53/17/99/1080531799.db2.gz DJJUCPLCFWMAQD-IBGZPJMESA-N 2 0 402.539 0.982 20 0 HCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000672256781 1080531718 /nfs/dbraw/zinc/53/17/18/1080531718.db2.gz DJJUCPLCFWMAQD-LJQANCHMSA-N 2 0 402.539 0.982 20 0 HCADRP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CN(C)CCO1 ZINC000672262103 1080539449 /nfs/dbraw/zinc/53/94/49/1080539449.db2.gz YXQYLNTUEUSCAN-BWPNAZKDSA-N 2 0 402.539 0.991 20 0 HCADRP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CN(C)CCO1 ZINC000672262104 1080539513 /nfs/dbraw/zinc/53/95/13/1080539513.db2.gz YXQYLNTUEUSCAN-PIKOESSRSA-N 2 0 402.539 0.991 20 0 HCADRP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CN(C)CCO1 ZINC000672262105 1080539108 /nfs/dbraw/zinc/53/91/08/1080539108.db2.gz YXQYLNTUEUSCAN-RAUXBKROSA-N 2 0 402.539 0.991 20 0 HCADRP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CN(C)CCO1 ZINC000672262106 1080539314 /nfs/dbraw/zinc/53/93/14/1080539314.db2.gz YXQYLNTUEUSCAN-XEYPJELSSA-N 2 0 402.539 0.991 20 0 HCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000672301517 1080554058 /nfs/dbraw/zinc/55/40/58/1080554058.db2.gz FSAGXZAZAXXURI-GOSISDBHSA-N 2 0 417.558 0.096 20 0 HCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000672301518 1080554307 /nfs/dbraw/zinc/55/43/07/1080554307.db2.gz FSAGXZAZAXXURI-SFHVURJKSA-N 2 0 417.558 0.096 20 0 HCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)CC1 ZINC000672305714 1080553497 /nfs/dbraw/zinc/55/34/97/1080553497.db2.gz AKFSULVDDGRDPA-IBGZPJMESA-N 2 0 405.587 0.604 20 0 HCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)CC1 ZINC000672305715 1080553723 /nfs/dbraw/zinc/55/37/23/1080553723.db2.gz AKFSULVDDGRDPA-LJQANCHMSA-N 2 0 405.587 0.604 20 0 HCADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672306924 1080556239 /nfs/dbraw/zinc/55/62/39/1080556239.db2.gz FTJFJAFGJFEFNC-FQEVSTJZSA-N 2 0 414.550 0.860 20 0 HCADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672306925 1080556018 /nfs/dbraw/zinc/55/60/18/1080556018.db2.gz FTJFJAFGJFEFNC-HXUWFJFHSA-N 2 0 414.550 0.860 20 0 HCADRP CN1CCC(CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)([NH+]2CCCCC2)CC1 ZINC000672307647 1080555551 /nfs/dbraw/zinc/55/55/51/1080555551.db2.gz HZHNZWHQBIAWCK-IBGZPJMESA-N 2 0 405.587 0.653 20 0 HCADRP CN1CCC(CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)([NH+]2CCCCC2)CC1 ZINC000672307648 1080555446 /nfs/dbraw/zinc/55/54/46/1080555446.db2.gz HZHNZWHQBIAWCK-LJQANCHMSA-N 2 0 405.587 0.653 20 0 HCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)CC1 ZINC000672307882 1080557558 /nfs/dbraw/zinc/55/75/58/1080557558.db2.gz QOFJASUBAPGWLP-IBGZPJMESA-N 2 0 405.587 0.604 20 0 HCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)CC1 ZINC000672307883 1080557161 /nfs/dbraw/zinc/55/71/61/1080557161.db2.gz QOFJASUBAPGWLP-LJQANCHMSA-N 2 0 405.587 0.604 20 0 HCADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000672308944 1080560538 /nfs/dbraw/zinc/56/05/38/1080560538.db2.gz FJTUGGWZGGLZTN-FQEVSTJZSA-N 2 0 406.571 0.938 20 0 HCADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000672308949 1080560579 /nfs/dbraw/zinc/56/05/79/1080560579.db2.gz FJTUGGWZGGLZTN-HXUWFJFHSA-N 2 0 406.571 0.938 20 0 HCADRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672309149 1080559558 /nfs/dbraw/zinc/55/95/58/1080559558.db2.gz KZJDDVDZNPKYKA-PMACEKPBSA-N 2 0 400.523 0.470 20 0 HCADRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672309150 1080559448 /nfs/dbraw/zinc/55/94/48/1080559448.db2.gz KZJDDVDZNPKYKA-UXHICEINSA-N 2 0 400.523 0.470 20 0 HCADRP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672309151 1080560425 /nfs/dbraw/zinc/56/04/25/1080560425.db2.gz KZJDDVDZNPKYKA-VQTJNVASSA-N 2 0 400.523 0.470 20 0 HCADRP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672309152 1080560294 /nfs/dbraw/zinc/56/02/94/1080560294.db2.gz KZJDDVDZNPKYKA-WOJBJXKFSA-N 2 0 400.523 0.470 20 0 HCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672309971 1080557314 /nfs/dbraw/zinc/55/73/14/1080557314.db2.gz BJDXPXVLSNHZDH-GGPKGHCWSA-N 2 0 405.587 0.604 20 0 HCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000672309972 1080557188 /nfs/dbraw/zinc/55/71/88/1080557188.db2.gz BJDXPXVLSNHZDH-NSHGMRRFSA-N 2 0 405.587 0.604 20 0 HCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672309973 1080557537 /nfs/dbraw/zinc/55/75/37/1080557537.db2.gz BJDXPXVLSNHZDH-QWFCFKBJSA-N 2 0 405.587 0.604 20 0 HCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000672309974 1080557432 /nfs/dbraw/zinc/55/74/32/1080557432.db2.gz BJDXPXVLSNHZDH-WSTZPKSXSA-N 2 0 405.587 0.604 20 0 HCADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672310578 1080558644 /nfs/dbraw/zinc/55/86/44/1080558644.db2.gz ZXRVSFLFZAPLMO-LEWJYISDSA-N 2 0 414.550 0.994 20 0 HCADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672310579 1080559005 /nfs/dbraw/zinc/55/90/05/1080559005.db2.gz ZXRVSFLFZAPLMO-NHCUHLMSSA-N 2 0 414.550 0.994 20 0 HCADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672310580 1080559046 /nfs/dbraw/zinc/55/90/46/1080559046.db2.gz ZXRVSFLFZAPLMO-RTWAWAEBSA-N 2 0 414.550 0.994 20 0 HCADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672310581 1080558823 /nfs/dbraw/zinc/55/88/23/1080558823.db2.gz ZXRVSFLFZAPLMO-SFTDATJTSA-N 2 0 414.550 0.994 20 0 HCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672311002 1080558325 /nfs/dbraw/zinc/55/83/25/1080558325.db2.gz RBWNDNMWPCJTTH-GOSISDBHSA-N 2 0 421.586 0.330 20 0 HCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672311003 1080558012 /nfs/dbraw/zinc/55/80/12/1080558012.db2.gz RBWNDNMWPCJTTH-SFHVURJKSA-N 2 0 421.586 0.330 20 0 HCADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672312141 1080559408 /nfs/dbraw/zinc/55/94/08/1080559408.db2.gz WRNXFHXTMOERPY-IBGZPJMESA-N 2 0 406.571 0.986 20 0 HCADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672312142 1080559671 /nfs/dbraw/zinc/55/96/71/1080559671.db2.gz WRNXFHXTMOERPY-LJQANCHMSA-N 2 0 406.571 0.986 20 0 HCADRP CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)CC1 ZINC000672312517 1080560895 /nfs/dbraw/zinc/56/08/95/1080560895.db2.gz UVSNLVAZTRRMLA-IBGZPJMESA-N 2 0 405.587 0.463 20 0 HCADRP CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)CC1 ZINC000672312518 1080561097 /nfs/dbraw/zinc/56/10/97/1080561097.db2.gz UVSNLVAZTRRMLA-LJQANCHMSA-N 2 0 405.587 0.463 20 0 HCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672313243 1080561007 /nfs/dbraw/zinc/56/10/07/1080561007.db2.gz LOXJIDHPZWBCHN-UHFFFAOYSA-N 2 0 401.511 0.491 20 0 HCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)C2)CC1 ZINC000672313416 1080561363 /nfs/dbraw/zinc/56/13/63/1080561363.db2.gz ZBDBKXACURVJHH-GOSISDBHSA-N 2 0 421.586 0.032 20 0 HCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)C2)CC1 ZINC000672313417 1080561573 /nfs/dbraw/zinc/56/15/73/1080561573.db2.gz ZBDBKXACURVJHH-SFHVURJKSA-N 2 0 421.586 0.032 20 0 HCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NCC[N@H+](C)C3CCCC3)CC2)CC1 ZINC000672329761 1080566695 /nfs/dbraw/zinc/56/66/95/1080566695.db2.gz GWFGPXSPPOKYSN-UHFFFAOYSA-N 2 0 407.603 0.994 20 0 HCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000672342130 1080570308 /nfs/dbraw/zinc/57/03/08/1080570308.db2.gz VNALDQJYUQWQDV-INIZCTEOSA-N 2 0 411.497 0.612 20 0 HCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000672342131 1080570715 /nfs/dbraw/zinc/57/07/15/1080570715.db2.gz VNALDQJYUQWQDV-MRXNPFEDSA-N 2 0 411.497 0.612 20 0 HCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC000672357898 1080574507 /nfs/dbraw/zinc/57/45/07/1080574507.db2.gz GEYNIHASYIKFJC-FQEVSTJZSA-N 2 0 402.539 0.866 20 0 HCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC000672357899 1080574206 /nfs/dbraw/zinc/57/42/06/1080574206.db2.gz GEYNIHASYIKFJC-HXUWFJFHSA-N 2 0 402.539 0.866 20 0 HCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC[C@@H]2C)C1 ZINC000672357944 1080574680 /nfs/dbraw/zinc/57/46/80/1080574680.db2.gz RSHNXEMCNPSIHC-AZUAARDMSA-N 2 0 402.539 0.946 20 0 HCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC[C@@H]2C)C1 ZINC000672357945 1080574129 /nfs/dbraw/zinc/57/41/29/1080574129.db2.gz RSHNXEMCNPSIHC-ICSRJNTNSA-N 2 0 402.539 0.946 20 0 HCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC[C@H]2C)C1 ZINC000672357946 1080574377 /nfs/dbraw/zinc/57/43/77/1080574377.db2.gz RSHNXEMCNPSIHC-QUCCMNQESA-N 2 0 402.539 0.946 20 0 HCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC[C@H]2C)C1 ZINC000672357947 1080574793 /nfs/dbraw/zinc/57/47/93/1080574793.db2.gz RSHNXEMCNPSIHC-UYAOXDASSA-N 2 0 402.539 0.946 20 0 HCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000672358503 1080579302 /nfs/dbraw/zinc/57/93/02/1080579302.db2.gz KYPBMMDZIYNTNV-BJLQDIEVSA-N 2 0 424.586 0.561 20 0 HCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000672358504 1080579350 /nfs/dbraw/zinc/57/93/50/1080579350.db2.gz KYPBMMDZIYNTNV-GGPKGHCWSA-N 2 0 424.586 0.561 20 0 HCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000672358505 1080579716 /nfs/dbraw/zinc/57/97/16/1080579716.db2.gz KYPBMMDZIYNTNV-NSHGMRRFSA-N 2 0 424.586 0.561 20 0 HCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000672358506 1080579788 /nfs/dbraw/zinc/57/97/88/1080579788.db2.gz KYPBMMDZIYNTNV-WSTZPKSXSA-N 2 0 424.586 0.561 20 0 HCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000672358603 1080579386 /nfs/dbraw/zinc/57/93/86/1080579386.db2.gz FTERDRQIKZDEHB-HSALFYBXSA-N 2 0 400.523 0.414 20 0 HCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000672358604 1080579414 /nfs/dbraw/zinc/57/94/14/1080579414.db2.gz FTERDRQIKZDEHB-ZCNNSNEGSA-N 2 0 400.523 0.414 20 0 HCADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N[C@@H]1CC[NH+](C3CCN(C)CC3)C1)C2 ZINC000672427436 1080601881 /nfs/dbraw/zinc/60/18/81/1080601881.db2.gz FDTJFGLYDGCQIH-FQVATPOOSA-N 2 0 420.602 0.538 20 0 HCADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N[C@H]1CC[NH+](C3CCN(C)CC3)C1)C2 ZINC000672427437 1080602120 /nfs/dbraw/zinc/60/21/20/1080602120.db2.gz FDTJFGLYDGCQIH-KOQQBVACSA-N 2 0 420.602 0.538 20 0 HCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000672442579 1080605031 /nfs/dbraw/zinc/60/50/31/1080605031.db2.gz XQMJOHRGRCFXGV-UHFFFAOYSA-N 2 0 403.527 0.736 20 0 HCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672442786 1080604880 /nfs/dbraw/zinc/60/48/80/1080604880.db2.gz HIPDPPCBMZCDJU-KRWDZBQOSA-N 2 0 423.602 0.277 20 0 HCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672442787 1080604968 /nfs/dbraw/zinc/60/49/68/1080604968.db2.gz HIPDPPCBMZCDJU-QGZVFWFLSA-N 2 0 423.602 0.277 20 0 HCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000672442844 1080605039 /nfs/dbraw/zinc/60/50/39/1080605039.db2.gz RJVQUVJBVXXBJA-GOSISDBHSA-N 2 0 423.602 0.230 20 0 HCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000672442845 1080604951 /nfs/dbraw/zinc/60/49/51/1080604951.db2.gz RJVQUVJBVXXBJA-SFHVURJKSA-N 2 0 423.602 0.230 20 0 HCADRP C[NH+](C)CCOCCNC(=O)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000672500678 1080650757 /nfs/dbraw/zinc/65/07/57/1080650757.db2.gz QDCNLEQIKXNBHC-UHFFFAOYSA-N 2 0 412.575 0.611 20 0 HCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000672513237 1080656775 /nfs/dbraw/zinc/65/67/75/1080656775.db2.gz VINRPHRBWSSEQP-GOSISDBHSA-N 2 0 407.559 0.132 20 0 HCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000672513238 1080656854 /nfs/dbraw/zinc/65/68/54/1080656854.db2.gz VINRPHRBWSSEQP-SFHVURJKSA-N 2 0 407.559 0.132 20 0 HCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000672513305 1080655360 /nfs/dbraw/zinc/65/53/60/1080655360.db2.gz QBSOOOQLUDRAGP-GOSISDBHSA-N 2 0 407.559 0.132 20 0 HCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000672513306 1080655400 /nfs/dbraw/zinc/65/54/00/1080655400.db2.gz QBSOOOQLUDRAGP-SFHVURJKSA-N 2 0 407.559 0.132 20 0 HCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000672513331 1080655260 /nfs/dbraw/zinc/65/52/60/1080655260.db2.gz ZLJAITPSYGUXOQ-IBGZPJMESA-N 2 0 421.586 0.522 20 0 HCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000672513332 1080655339 /nfs/dbraw/zinc/65/53/39/1080655339.db2.gz ZLJAITPSYGUXOQ-LJQANCHMSA-N 2 0 421.586 0.522 20 0 HCADRP CC[NH+]1CCC(CCNC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672542930 1080673492 /nfs/dbraw/zinc/67/34/92/1080673492.db2.gz XCTDHRUDJCLHGO-FQEVSTJZSA-N 2 0 407.603 0.852 20 0 HCADRP CC[NH+]1CCC(CCNC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672542931 1080673119 /nfs/dbraw/zinc/67/31/19/1080673119.db2.gz XCTDHRUDJCLHGO-HXUWFJFHSA-N 2 0 407.603 0.852 20 0 HCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCCCC[NH+]3CCCCC3)CC2)C1 ZINC000672573514 1080689509 /nfs/dbraw/zinc/68/95/09/1080689509.db2.gz DFMAPCMCCXJTSM-FQEVSTJZSA-N 2 0 407.603 0.997 20 0 HCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCCCC[NH+]3CCCCC3)CC2)C1 ZINC000672573515 1080689640 /nfs/dbraw/zinc/68/96/40/1080689640.db2.gz DFMAPCMCCXJTSM-HXUWFJFHSA-N 2 0 407.603 0.997 20 0 HCADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000672588194 1080694761 /nfs/dbraw/zinc/69/47/61/1080694761.db2.gz AQQBATRFOCXMMA-AZUAARDMSA-N 2 0 415.582 0.908 20 0 HCADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000672588196 1080695755 /nfs/dbraw/zinc/69/57/55/1080695755.db2.gz AQQBATRFOCXMMA-ICSRJNTNSA-N 2 0 415.582 0.908 20 0 HCADRP C[C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000672588197 1080695908 /nfs/dbraw/zinc/69/59/08/1080695908.db2.gz AQQBATRFOCXMMA-QUCCMNQESA-N 2 0 415.582 0.908 20 0 HCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000672588199 1080695871 /nfs/dbraw/zinc/69/58/71/1080695871.db2.gz AQQBATRFOCXMMA-UYAOXDASSA-N 2 0 415.582 0.908 20 0 HCADRP C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[NH+](C)Cc1ccccc1 ZINC000672588252 1080695820 /nfs/dbraw/zinc/69/58/20/1080695820.db2.gz HQXDOJKIKZAYRX-CTNGQTDRSA-N 2 0 415.582 0.862 20 0 HCADRP C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[NH+](C)Cc1ccccc1 ZINC000672588254 1080695590 /nfs/dbraw/zinc/69/55/90/1080695590.db2.gz HQXDOJKIKZAYRX-FPOVZHCZSA-N 2 0 415.582 0.862 20 0 HCADRP C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[NH+](C)Cc1ccccc1 ZINC000672588256 1080695971 /nfs/dbraw/zinc/69/59/71/1080695971.db2.gz HQXDOJKIKZAYRX-PZJWPPBQSA-N 2 0 415.582 0.862 20 0 HCADRP C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[NH+](C)Cc1ccccc1 ZINC000672588258 1080695844 /nfs/dbraw/zinc/69/58/44/1080695844.db2.gz HQXDOJKIKZAYRX-TZIWHRDSSA-N 2 0 415.582 0.862 20 0 HCADRP C[NH+](C)Cc1cc(CNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)ccc1F ZINC000672594743 1080698124 /nfs/dbraw/zinc/69/81/24/1080698124.db2.gz WTVWMOMDMMCOOC-UHFFFAOYSA-N 2 0 407.534 0.646 20 0 HCADRP C[NH+](C)Cc1cc(CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1F ZINC000672595036 1080698174 /nfs/dbraw/zinc/69/81/74/1080698174.db2.gz FVQIGYPYJMWUBW-GOSISDBHSA-N 2 0 419.545 0.788 20 0 HCADRP C[NH+](C)Cc1cc(CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1F ZINC000672595037 1080698050 /nfs/dbraw/zinc/69/80/50/1080698050.db2.gz FVQIGYPYJMWUBW-SFHVURJKSA-N 2 0 419.545 0.788 20 0 HCADRP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)ccc1F ZINC000672595075 1080698020 /nfs/dbraw/zinc/69/80/20/1080698020.db2.gz QTWSHWPHGOSDLW-IBGZPJMESA-N 2 0 419.545 0.742 20 0 HCADRP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ccc1F ZINC000672595076 1080697907 /nfs/dbraw/zinc/69/79/07/1080697907.db2.gz QTWSHWPHGOSDLW-LJQANCHMSA-N 2 0 419.545 0.742 20 0 HCADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000672596375 1080698519 /nfs/dbraw/zinc/69/85/19/1080698519.db2.gz FJPPSEKAUUWJCC-FQEVSTJZSA-N 2 0 403.571 0.719 20 0 HCADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000672596376 1080698646 /nfs/dbraw/zinc/69/86/46/1080698646.db2.gz FJPPSEKAUUWJCC-HXUWFJFHSA-N 2 0 403.571 0.719 20 0 HCADRP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000672596819 1080700601 /nfs/dbraw/zinc/70/06/01/1080700601.db2.gz NFBFSXAIVRYCHY-AZUAARDMSA-N 2 0 401.555 0.471 20 0 HCADRP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000672596820 1080700197 /nfs/dbraw/zinc/70/01/97/1080700197.db2.gz NFBFSXAIVRYCHY-ICSRJNTNSA-N 2 0 401.555 0.471 20 0 HCADRP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000672596821 1080700546 /nfs/dbraw/zinc/70/05/46/1080700546.db2.gz NFBFSXAIVRYCHY-QUCCMNQESA-N 2 0 401.555 0.471 20 0 HCADRP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000672596822 1080700354 /nfs/dbraw/zinc/70/03/54/1080700354.db2.gz NFBFSXAIVRYCHY-UYAOXDASSA-N 2 0 401.555 0.471 20 0 HCADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000672596861 1080699995 /nfs/dbraw/zinc/69/99/95/1080699995.db2.gz USDZFVOXIRGSOU-FQEVSTJZSA-N 2 0 401.555 0.391 20 0 HCADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000672596862 1080700136 /nfs/dbraw/zinc/70/01/36/1080700136.db2.gz USDZFVOXIRGSOU-HXUWFJFHSA-N 2 0 401.555 0.391 20 0 HCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000672596966 1080699565 /nfs/dbraw/zinc/69/95/65/1080699565.db2.gz PVSXJWGLAZXLPB-GPANFISMSA-N 2 0 419.492 0.270 20 0 HCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000672596967 1080699626 /nfs/dbraw/zinc/69/96/26/1080699626.db2.gz PVSXJWGLAZXLPB-UYSNPLJNSA-N 2 0 419.492 0.270 20 0 HCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000672637385 1080713699 /nfs/dbraw/zinc/71/36/99/1080713699.db2.gz GIDLGLGQIWQRAQ-MOPGFXCFSA-N 2 0 405.587 0.461 20 0 HCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000672637386 1080713877 /nfs/dbraw/zinc/71/38/77/1080713877.db2.gz GIDLGLGQIWQRAQ-OALUTQOASA-N 2 0 405.587 0.461 20 0 HCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000672637387 1080714498 /nfs/dbraw/zinc/71/44/98/1080714498.db2.gz GIDLGLGQIWQRAQ-RBUKOAKNSA-N 2 0 405.587 0.461 20 0 HCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000672637388 1080713815 /nfs/dbraw/zinc/71/38/15/1080713815.db2.gz GIDLGLGQIWQRAQ-RTBURBONSA-N 2 0 405.587 0.461 20 0 HCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)C2)CC1 ZINC000672637405 1080714310 /nfs/dbraw/zinc/71/43/10/1080714310.db2.gz GOYXOHHXYUGMLZ-BBTUJRGHSA-N 2 0 417.598 0.746 20 0 HCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C2)CC1 ZINC000672637406 1080714419 /nfs/dbraw/zinc/71/44/19/1080714419.db2.gz GOYXOHHXYUGMLZ-LQWHRVPQSA-N 2 0 417.598 0.746 20 0 HCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C2)CC1 ZINC000672637407 1080713978 /nfs/dbraw/zinc/71/39/78/1080713978.db2.gz GOYXOHHXYUGMLZ-LVCYWYKZSA-N 2 0 417.598 0.746 20 0 HCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)C2)CC1 ZINC000672637408 1080714102 /nfs/dbraw/zinc/71/41/02/1080714102.db2.gz GOYXOHHXYUGMLZ-WFXMLNOXSA-N 2 0 417.598 0.746 20 0 HCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(c4ncccc4F)C3)C2)CC1 ZINC000672637603 1080715750 /nfs/dbraw/zinc/71/57/50/1080715750.db2.gz KOVIMIBOCCIVLW-CVEARBPZSA-N 2 0 418.517 0.200 20 0 HCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(c4ncccc4F)C3)C2)CC1 ZINC000672637604 1080715907 /nfs/dbraw/zinc/71/59/07/1080715907.db2.gz KOVIMIBOCCIVLW-HOTGVXAUSA-N 2 0 418.517 0.200 20 0 HCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(c4ncccc4F)C3)C2)CC1 ZINC000672637605 1080715525 /nfs/dbraw/zinc/71/55/25/1080715525.db2.gz KOVIMIBOCCIVLW-HZPDHXFCSA-N 2 0 418.517 0.200 20 0 HCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(c4ncccc4F)C3)C2)CC1 ZINC000672637606 1080715644 /nfs/dbraw/zinc/71/56/44/1080715644.db2.gz KOVIMIBOCCIVLW-JKSUJKDBSA-N 2 0 418.517 0.200 20 0 HCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccsc4)CC3)C2)CC1 ZINC000672637645 1080715953 /nfs/dbraw/zinc/71/59/53/1080715953.db2.gz LPALWHGNCPPOTR-GOSISDBHSA-N 2 0 419.595 0.677 20 0 HCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(Cc4ccsc4)CC3)C2)CC1 ZINC000672637646 1080715793 /nfs/dbraw/zinc/71/57/93/1080715793.db2.gz LPALWHGNCPPOTR-SFHVURJKSA-N 2 0 419.595 0.677 20 0 HCADRP COCCN(Cc1scnc1C)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672637647 1080715607 /nfs/dbraw/zinc/71/56/07/1080715607.db2.gz LQELFWKLVFPMDT-INIZCTEOSA-N 2 0 423.583 0.711 20 0 HCADRP COCCN(Cc1scnc1C)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672637648 1080716082 /nfs/dbraw/zinc/71/60/82/1080716082.db2.gz LQELFWKLVFPMDT-MRXNPFEDSA-N 2 0 423.583 0.711 20 0 HCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(Cc4cscn4)CC3)C2)CC1 ZINC000672637659 1080715565 /nfs/dbraw/zinc/71/55/65/1080715565.db2.gz LUFIPIDTGWENQS-INIZCTEOSA-N 2 0 420.583 0.072 20 0 HCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4cscn4)CC3)C2)CC1 ZINC000672637660 1080715836 /nfs/dbraw/zinc/71/58/36/1080715836.db2.gz LUFIPIDTGWENQS-MRXNPFEDSA-N 2 0 420.583 0.072 20 0 HCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(F)c1 ZINC000672637773 1080719011 /nfs/dbraw/zinc/71/90/11/1080719011.db2.gz AXHZPWCEWVNANN-AZUAARDMSA-N 2 0 419.545 0.829 20 0 HCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(F)c1 ZINC000672637774 1080718753 /nfs/dbraw/zinc/71/87/53/1080718753.db2.gz AXHZPWCEWVNANN-ICSRJNTNSA-N 2 0 419.545 0.829 20 0 HCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(F)c1 ZINC000672637775 1080719851 /nfs/dbraw/zinc/71/98/51/1080719851.db2.gz AXHZPWCEWVNANN-QUCCMNQESA-N 2 0 419.545 0.829 20 0 HCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(F)c1 ZINC000672637776 1080720421 /nfs/dbraw/zinc/72/04/21/1080720421.db2.gz AXHZPWCEWVNANN-UYAOXDASSA-N 2 0 419.545 0.829 20 0 HCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[NH+](CC4CCCCC4)CC3)C2)CC1 ZINC000672638110 1080717046 /nfs/dbraw/zinc/71/70/46/1080717046.db2.gz KNDYYXUMSXGJBQ-FQEVSTJZSA-N 2 0 419.614 0.996 20 0 HCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC[NH+](CC4CCCCC4)CC3)C2)CC1 ZINC000672638111 1080717949 /nfs/dbraw/zinc/71/79/49/1080717949.db2.gz KNDYYXUMSXGJBQ-HXUWFJFHSA-N 2 0 419.614 0.996 20 0 HCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000672638221 1080717541 /nfs/dbraw/zinc/71/75/41/1080717541.db2.gz QVYOSIAVKWDKOG-GOSISDBHSA-N 2 0 419.570 0.763 20 0 HCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672638223 1080718111 /nfs/dbraw/zinc/71/81/11/1080718111.db2.gz CASYGKQEHPRQMG-IBGZPJMESA-N 2 0 407.603 0.850 20 0 HCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000672638224 1080718072 /nfs/dbraw/zinc/71/80/72/1080718072.db2.gz QVYOSIAVKWDKOG-SFHVURJKSA-N 2 0 419.570 0.763 20 0 HCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672638226 1080717573 /nfs/dbraw/zinc/71/75/73/1080717573.db2.gz CASYGKQEHPRQMG-LJQANCHMSA-N 2 0 407.603 0.850 20 0 HCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCO[C@@H](c4ccccc4)C3)C2)CC1 ZINC000672638443 1080715699 /nfs/dbraw/zinc/71/56/99/1080715699.db2.gz PUEURXDFAIWAEY-AZUAARDMSA-N 2 0 400.523 0.871 20 0 HCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672638575 1080721254 /nfs/dbraw/zinc/72/12/54/1080721254.db2.gz SSGYWVWHCLOYKY-MOPGFXCFSA-N 2 0 405.587 0.461 20 0 HCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672638576 1080721709 /nfs/dbraw/zinc/72/17/09/1080721709.db2.gz SSGYWVWHCLOYKY-OALUTQOASA-N 2 0 405.587 0.461 20 0 HCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672638577 1080721144 /nfs/dbraw/zinc/72/11/44/1080721144.db2.gz SSGYWVWHCLOYKY-RBUKOAKNSA-N 2 0 405.587 0.461 20 0 HCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672638578 1080721581 /nfs/dbraw/zinc/72/15/81/1080721581.db2.gz SSGYWVWHCLOYKY-RTBURBONSA-N 2 0 405.587 0.461 20 0 HCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000672638663 1080720594 /nfs/dbraw/zinc/72/05/94/1080720594.db2.gz GYJHOQPOMCPCKA-FQEVSTJZSA-N 2 0 415.582 0.692 20 0 HCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000672638664 1080723171 /nfs/dbraw/zinc/72/31/71/1080723171.db2.gz GYJHOQPOMCPCKA-HXUWFJFHSA-N 2 0 415.582 0.692 20 0 HCADRP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H]1c1ccccc1 ZINC000672639068 1080725578 /nfs/dbraw/zinc/72/55/78/1080725578.db2.gz YMYASXSDZMDABC-CEWLAPEOSA-N 2 0 413.566 0.833 20 0 HCADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@H]1c1ccccc1 ZINC000672639069 1080726035 /nfs/dbraw/zinc/72/60/35/1080726035.db2.gz YMYASXSDZMDABC-JBACZVJFSA-N 2 0 413.566 0.833 20 0 HCADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H]1c1ccccc1 ZINC000672639070 1080725970 /nfs/dbraw/zinc/72/59/70/1080725970.db2.gz YMYASXSDZMDABC-SESVDKBCSA-N 2 0 413.566 0.833 20 0 HCADRP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@H]1c1ccccc1 ZINC000672639071 1080725622 /nfs/dbraw/zinc/72/56/22/1080725622.db2.gz YMYASXSDZMDABC-TYPHKJRUSA-N 2 0 413.566 0.833 20 0 HCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)C2)CC1 ZINC000672639349 1080723656 /nfs/dbraw/zinc/72/36/56/1080723656.db2.gz BLNXBGFHIOMNLO-KRWDZBQOSA-N 2 0 400.527 0.015 20 0 HCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)C2)CC1 ZINC000672639352 1080722600 /nfs/dbraw/zinc/72/26/00/1080722600.db2.gz BLNXBGFHIOMNLO-QGZVFWFLSA-N 2 0 400.527 0.015 20 0 HCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672639600 1080734544 /nfs/dbraw/zinc/73/45/44/1080734544.db2.gz CTCIXWSYBFXRAU-IBGZPJMESA-N 2 0 407.603 0.852 20 0 HCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672639602 1080734285 /nfs/dbraw/zinc/73/42/85/1080734285.db2.gz CTCIXWSYBFXRAU-LJQANCHMSA-N 2 0 407.603 0.852 20 0 HCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC[N@@H+](C4CCCC4)CC3)C2)CC1 ZINC000672639620 1080733746 /nfs/dbraw/zinc/73/37/46/1080733746.db2.gz DBICOHWJDAESRN-GOSISDBHSA-N 2 0 405.587 0.748 20 0 HCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[N@@H+](C4CCCC4)CC3)C2)CC1 ZINC000672639621 1080734702 /nfs/dbraw/zinc/73/47/02/1080734702.db2.gz DBICOHWJDAESRN-SFHVURJKSA-N 2 0 405.587 0.748 20 0 HCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672640065 1080731656 /nfs/dbraw/zinc/73/16/56/1080731656.db2.gz HSCJGNBZHUDVDZ-GOSISDBHSA-N 2 0 423.602 0.230 20 0 HCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672640066 1080731384 /nfs/dbraw/zinc/73/13/84/1080731384.db2.gz HSCJGNBZHUDVDZ-SFHVURJKSA-N 2 0 423.602 0.230 20 0 HCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640127 1080731709 /nfs/dbraw/zinc/73/17/09/1080731709.db2.gz VTVWRSAFLWCCNL-KRWDZBQOSA-N 2 0 421.611 0.923 20 0 HCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640131 1080730911 /nfs/dbraw/zinc/73/09/11/1080730911.db2.gz VTVWRSAFLWCCNL-QGZVFWFLSA-N 2 0 421.611 0.923 20 0 HCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)CC1 ZINC000672640401 1080730219 /nfs/dbraw/zinc/73/02/19/1080730219.db2.gz CNPBZMZRAJLJSF-GPJFCIFZSA-N 2 0 419.614 0.994 20 0 HCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)CC1 ZINC000672640402 1080730580 /nfs/dbraw/zinc/73/05/80/1080730580.db2.gz CNPBZMZRAJLJSF-IOJLRTSASA-N 2 0 419.614 0.994 20 0 HCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640455 1080728846 /nfs/dbraw/zinc/72/88/46/1080728846.db2.gz JAQVQUGEUGWGPN-KRWDZBQOSA-N 2 0 405.543 0.455 20 0 HCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640456 1080728625 /nfs/dbraw/zinc/72/86/25/1080728625.db2.gz JAQVQUGEUGWGPN-QGZVFWFLSA-N 2 0 405.543 0.455 20 0 HCADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)Cc1ccc(F)cc1 ZINC000672640511 1080728421 /nfs/dbraw/zinc/72/84/21/1080728421.db2.gz WBOVUBITMZXYBT-IBGZPJMESA-N 2 0 419.545 0.658 20 0 HCADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)Cc1ccc(F)cc1 ZINC000672640520 1080728050 /nfs/dbraw/zinc/72/80/50/1080728050.db2.gz WBOVUBITMZXYBT-LJQANCHMSA-N 2 0 419.545 0.658 20 0 HCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC[NH+](CCC(C)(C)C)CC3)C2)CC1 ZINC000672640927 1080737146 /nfs/dbraw/zinc/73/71/46/1080737146.db2.gz MGEDVWHLRYHCJW-GOSISDBHSA-N 2 0 407.603 0.852 20 0 HCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[NH+](CCC(C)(C)C)CC3)C2)CC1 ZINC000672640928 1080736975 /nfs/dbraw/zinc/73/69/75/1080736975.db2.gz MGEDVWHLRYHCJW-SFHVURJKSA-N 2 0 407.603 0.852 20 0 HCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC[NH+](C4CCCCC4)CC3)C2)CC1 ZINC000672641251 1080736858 /nfs/dbraw/zinc/73/68/58/1080736858.db2.gz OUQFBKWLVIBRKC-GOSISDBHSA-N 2 0 405.587 0.748 20 0 HCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[NH+](C4CCCCC4)CC3)C2)CC1 ZINC000672641252 1080736992 /nfs/dbraw/zinc/73/69/92/1080736992.db2.gz OUQFBKWLVIBRKC-SFHVURJKSA-N 2 0 405.587 0.748 20 0 HCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672641457 1080736282 /nfs/dbraw/zinc/73/62/82/1080736282.db2.gz RVFNZPFYMMHLLA-IBGZPJMESA-N 2 0 423.602 0.277 20 0 HCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672641458 1080735904 /nfs/dbraw/zinc/73/59/04/1080735904.db2.gz RVFNZPFYMMHLLA-LJQANCHMSA-N 2 0 423.602 0.277 20 0 HCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCCC3)C2)CC1 ZINC000672641865 1080741944 /nfs/dbraw/zinc/74/19/44/1080741944.db2.gz YQWNQAKJRBPCRU-AZUAARDMSA-N 2 0 405.587 0.748 20 0 HCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCCC3)C2)CC1 ZINC000672641866 1080741779 /nfs/dbraw/zinc/74/17/79/1080741779.db2.gz YQWNQAKJRBPCRU-ICSRJNTNSA-N 2 0 405.587 0.748 20 0 HCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCCC3)C2)CC1 ZINC000672641867 1080742090 /nfs/dbraw/zinc/74/20/90/1080742090.db2.gz YQWNQAKJRBPCRU-QUCCMNQESA-N 2 0 405.587 0.748 20 0 HCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCCC3)C2)CC1 ZINC000672641868 1080741871 /nfs/dbraw/zinc/74/18/71/1080741871.db2.gz YQWNQAKJRBPCRU-UYAOXDASSA-N 2 0 405.587 0.748 20 0 HCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC([NH+]4CCCCC4)CC3)C2)CC1 ZINC000672642472 1080740049 /nfs/dbraw/zinc/74/00/49/1080740049.db2.gz LQGWHEPCVUXKSK-GOSISDBHSA-N 2 0 405.587 0.748 20 0 HCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC([NH+]4CCCCC4)CC3)C2)CC1 ZINC000672642473 1080739637 /nfs/dbraw/zinc/73/96/37/1080739637.db2.gz LQGWHEPCVUXKSK-SFHVURJKSA-N 2 0 405.587 0.748 20 0 HCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC(C[NH+]4CCCC4)CC3)C2)CC1 ZINC000672642972 1080744189 /nfs/dbraw/zinc/74/41/89/1080744189.db2.gz ZGDZVSAEHBWJOI-IBGZPJMESA-N 2 0 405.587 0.606 20 0 HCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC(C[NH+]4CCCC4)CC3)C2)CC1 ZINC000672642974 1080744753 /nfs/dbraw/zinc/74/47/53/1080744753.db2.gz ZGDZVSAEHBWJOI-LJQANCHMSA-N 2 0 405.587 0.606 20 0 HCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672642976 1080744578 /nfs/dbraw/zinc/74/45/78/1080744578.db2.gz ZQEPDGBRRVFQFD-IBGZPJMESA-N 2 0 407.603 0.852 20 0 HCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672642978 1080744136 /nfs/dbraw/zinc/74/41/36/1080744136.db2.gz ZQEPDGBRRVFQFD-LJQANCHMSA-N 2 0 407.603 0.852 20 0 HCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672643021 1080744716 /nfs/dbraw/zinc/74/47/16/1080744716.db2.gz MYVBSLZKSLPYQB-AZUAARDMSA-N 2 0 423.602 0.230 20 0 HCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672643022 1080744958 /nfs/dbraw/zinc/74/49/58/1080744958.db2.gz MYVBSLZKSLPYQB-ICSRJNTNSA-N 2 0 423.602 0.230 20 0 HCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672643023 1080744642 /nfs/dbraw/zinc/74/46/42/1080744642.db2.gz MYVBSLZKSLPYQB-QUCCMNQESA-N 2 0 423.602 0.230 20 0 HCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672643024 1080746096 /nfs/dbraw/zinc/74/60/96/1080746096.db2.gz MYVBSLZKSLPYQB-UYAOXDASSA-N 2 0 423.602 0.230 20 0 HCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672643038 1080745813 /nfs/dbraw/zinc/74/58/13/1080745813.db2.gz NGUPHZGAUQEXPM-AZUAARDMSA-N 2 0 405.587 0.748 20 0 HCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672643039 1080746318 /nfs/dbraw/zinc/74/63/18/1080746318.db2.gz NGUPHZGAUQEXPM-ICSRJNTNSA-N 2 0 405.587 0.748 20 0 HCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672643040 1080746233 /nfs/dbraw/zinc/74/62/33/1080746233.db2.gz NGUPHZGAUQEXPM-QUCCMNQESA-N 2 0 405.587 0.748 20 0 HCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672643041 1080745474 /nfs/dbraw/zinc/74/54/74/1080745474.db2.gz NGUPHZGAUQEXPM-UYAOXDASSA-N 2 0 405.587 0.748 20 0 HCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)C2)CC1 ZINC000672643176 1080744320 /nfs/dbraw/zinc/74/43/20/1080744320.db2.gz SSHLGOVAMLKHQK-MOPGFXCFSA-N 2 0 405.587 0.748 20 0 HCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)C2)CC1 ZINC000672643177 1080744839 /nfs/dbraw/zinc/74/48/39/1080744839.db2.gz SSHLGOVAMLKHQK-OALUTQOASA-N 2 0 405.587 0.748 20 0 HCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)C2)CC1 ZINC000672643178 1080744507 /nfs/dbraw/zinc/74/45/07/1080744507.db2.gz SSHLGOVAMLKHQK-RBUKOAKNSA-N 2 0 405.587 0.748 20 0 HCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)C2)CC1 ZINC000672643179 1080744989 /nfs/dbraw/zinc/74/49/89/1080744989.db2.gz SSHLGOVAMLKHQK-RTBURBONSA-N 2 0 405.587 0.748 20 0 HCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672643180 1080744878 /nfs/dbraw/zinc/74/48/78/1080744878.db2.gz SXCNKCVLCOHBKJ-MOPGFXCFSA-N 2 0 407.603 0.755 20 0 HCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672643181 1080744001 /nfs/dbraw/zinc/74/40/01/1080744001.db2.gz SXCNKCVLCOHBKJ-OALUTQOASA-N 2 0 407.603 0.755 20 0 HCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672643182 1080744365 /nfs/dbraw/zinc/74/43/65/1080744365.db2.gz SXCNKCVLCOHBKJ-RBUKOAKNSA-N 2 0 407.603 0.755 20 0 HCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672643183 1080745073 /nfs/dbraw/zinc/74/50/73/1080745073.db2.gz SXCNKCVLCOHBKJ-RTBURBONSA-N 2 0 407.603 0.755 20 0 HCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C1 ZINC000672647697 1080752225 /nfs/dbraw/zinc/75/22/25/1080752225.db2.gz GDWITRIMFUOMTD-AZUAARDMSA-N 2 0 417.554 0.983 20 0 HCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C1 ZINC000672647698 1080752582 /nfs/dbraw/zinc/75/25/82/1080752582.db2.gz GDWITRIMFUOMTD-ICSRJNTNSA-N 2 0 417.554 0.983 20 0 HCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)[C@H](C)C1 ZINC000672647699 1080752342 /nfs/dbraw/zinc/75/23/42/1080752342.db2.gz GDWITRIMFUOMTD-QUCCMNQESA-N 2 0 417.554 0.983 20 0 HCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)[C@H](C)C1 ZINC000672647700 1080752376 /nfs/dbraw/zinc/75/23/76/1080752376.db2.gz GDWITRIMFUOMTD-UYAOXDASSA-N 2 0 417.554 0.983 20 0 HCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672655104 1080753424 /nfs/dbraw/zinc/75/34/24/1080753424.db2.gz DPCHIRLBEIQDEA-AZUAARDMSA-N 2 0 407.603 0.994 20 0 HCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672655105 1080753077 /nfs/dbraw/zinc/75/30/77/1080753077.db2.gz DPCHIRLBEIQDEA-ICSRJNTNSA-N 2 0 407.603 0.994 20 0 HCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672655106 1080752932 /nfs/dbraw/zinc/75/29/32/1080752932.db2.gz DPCHIRLBEIQDEA-QUCCMNQESA-N 2 0 407.603 0.994 20 0 HCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672655107 1080753299 /nfs/dbraw/zinc/75/32/99/1080753299.db2.gz DPCHIRLBEIQDEA-UYAOXDASSA-N 2 0 407.603 0.994 20 0 HCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000672692312 1080759957 /nfs/dbraw/zinc/75/99/57/1080759957.db2.gz APMUZIHQYMRLSM-IBGZPJMESA-N 2 0 407.603 0.994 20 0 HCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000672692315 1080759994 /nfs/dbraw/zinc/75/99/94/1080759994.db2.gz APMUZIHQYMRLSM-LJQANCHMSA-N 2 0 407.603 0.994 20 0 HCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000672692933 1080760259 /nfs/dbraw/zinc/76/02/59/1080760259.db2.gz MPRWIFLAEOENEA-GURQWTFNSA-N 2 0 405.587 0.746 20 0 HCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000672692934 1080760230 /nfs/dbraw/zinc/76/02/30/1080760230.db2.gz MPRWIFLAEOENEA-WRURNZQNSA-N 2 0 405.587 0.746 20 0 HCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000672695074 1080757398 /nfs/dbraw/zinc/75/73/98/1080757398.db2.gz IGSMYBIPWDCZPJ-PMACEKPBSA-N 2 0 402.539 0.860 20 0 HCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000672695253 1080757218 /nfs/dbraw/zinc/75/72/18/1080757218.db2.gz IGSMYBIPWDCZPJ-UXHICEINSA-N 2 0 402.539 0.860 20 0 HCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000672695254 1080757317 /nfs/dbraw/zinc/75/73/17/1080757317.db2.gz IGSMYBIPWDCZPJ-VQTJNVASSA-N 2 0 402.539 0.860 20 0 HCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000672695255 1080757447 /nfs/dbraw/zinc/75/74/47/1080757447.db2.gz IGSMYBIPWDCZPJ-WOJBJXKFSA-N 2 0 402.539 0.860 20 0 HCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000672695465 1080757415 /nfs/dbraw/zinc/75/74/15/1080757415.db2.gz HJLSFNWWMIEZAD-IBGZPJMESA-N 2 0 407.603 0.994 20 0 HCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000672695466 1080757484 /nfs/dbraw/zinc/75/74/84/1080757484.db2.gz HJLSFNWWMIEZAD-LJQANCHMSA-N 2 0 407.603 0.994 20 0 HCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000672697011 1080761669 /nfs/dbraw/zinc/76/16/69/1080761669.db2.gz JPQLETSSMVPNQD-GOSISDBHSA-N 2 0 423.602 0.720 20 0 HCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000672697014 1080762084 /nfs/dbraw/zinc/76/20/84/1080762084.db2.gz JPQLETSSMVPNQD-SFHVURJKSA-N 2 0 423.602 0.720 20 0 HCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000672698094 1080762193 /nfs/dbraw/zinc/76/21/93/1080762193.db2.gz JMRWSVYRIFSSIL-HSALFYBXSA-N 2 0 407.603 0.994 20 0 HCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000672698095 1080762062 /nfs/dbraw/zinc/76/20/62/1080762062.db2.gz JMRWSVYRIFSSIL-SLFFLAALSA-N 2 0 407.603 0.994 20 0 HCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000672698096 1080762129 /nfs/dbraw/zinc/76/21/29/1080762129.db2.gz JMRWSVYRIFSSIL-VAMGGRTRSA-N 2 0 407.603 0.994 20 0 HCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000672698097 1080762338 /nfs/dbraw/zinc/76/23/38/1080762338.db2.gz JMRWSVYRIFSSIL-ZCNNSNEGSA-N 2 0 407.603 0.994 20 0 HCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000672699653 1080762372 /nfs/dbraw/zinc/76/23/72/1080762372.db2.gz ANHLQQKWSRDQDF-IBGZPJMESA-N 2 0 407.603 0.853 20 0 HCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000672699654 1080762325 /nfs/dbraw/zinc/76/23/25/1080762325.db2.gz ANHLQQKWSRDQDF-LJQANCHMSA-N 2 0 407.603 0.853 20 0 HCADRP COCC[NH+](CCOC)C1CCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000672708209 1080760961 /nfs/dbraw/zinc/76/09/61/1080760961.db2.gz JSMBWDORQPUZOV-UHFFFAOYSA-N 2 0 413.607 0.781 20 0 HCADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NCC(C)(C)N1CC[NH+](C)CC1)C2 ZINC000672708504 1080761108 /nfs/dbraw/zinc/76/11/08/1080761108.db2.gz TWRQBPHNXJGHIX-AYHJJNSGSA-N 2 0 408.591 0.395 20 0 HCADRP CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[N@H+](CCO)C(C)(C)C3)cn2)CC1 ZINC000672725147 1080769567 /nfs/dbraw/zinc/76/95/67/1080769567.db2.gz ZUDAMWFGDQXGBR-UHFFFAOYSA-N 2 0 404.559 0.822 20 0 HCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)c1 ZINC000672819818 1080789358 /nfs/dbraw/zinc/78/93/58/1080789358.db2.gz IXBZIZKHJOCZRG-UHFFFAOYSA-N 2 0 405.543 0.576 20 0 HCADRP CC1(C)CN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC[N@@H+]1CCO ZINC000672834445 1080791460 /nfs/dbraw/zinc/79/14/60/1080791460.db2.gz FWDOANPGNOCGSP-UHFFFAOYSA-N 2 0 419.574 0.477 20 0 HCADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000672854510 1080800031 /nfs/dbraw/zinc/80/00/31/1080800031.db2.gz IHIGUXKNTHOJBO-FQEVSTJZSA-N 2 0 415.582 0.862 20 0 HCADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000672854511 1080799809 /nfs/dbraw/zinc/79/98/09/1080799809.db2.gz IHIGUXKNTHOJBO-HXUWFJFHSA-N 2 0 415.582 0.862 20 0 HCADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000672876447 1080801850 /nfs/dbraw/zinc/80/18/50/1080801850.db2.gz FTXSNOWVZWBIQD-FQEVSTJZSA-N 2 0 401.555 0.919 20 0 HCADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000672876448 1080801797 /nfs/dbraw/zinc/80/17/97/1080801797.db2.gz FTXSNOWVZWBIQD-HXUWFJFHSA-N 2 0 401.555 0.919 20 0 HCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000672926916 1080823537 /nfs/dbraw/zinc/82/35/37/1080823537.db2.gz VGKCHMSZPLXZHD-UHFFFAOYSA-N 2 0 411.591 0.711 20 0 HCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 ZINC000672966769 1080835391 /nfs/dbraw/zinc/83/53/91/1080835391.db2.gz SAWRZIOIDYGCTK-UHFFFAOYSA-N 2 0 421.473 0.369 20 0 HCADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673014201 1080848959 /nfs/dbraw/zinc/84/89/59/1080848959.db2.gz YSXNKNFYCDVGTC-KRWDZBQOSA-N 2 0 401.511 0.347 20 0 HCADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673014202 1080849526 /nfs/dbraw/zinc/84/95/26/1080849526.db2.gz YSXNKNFYCDVGTC-QGZVFWFLSA-N 2 0 401.511 0.347 20 0 HCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)Cc2ccccc2C1 ZINC000673095419 1080874369 /nfs/dbraw/zinc/87/43/69/1080874369.db2.gz DCEKANXADCQNBK-UHFFFAOYSA-N 2 0 407.518 0.946 20 0 HCADRP CN(C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673122897 1080890727 /nfs/dbraw/zinc/89/07/27/1080890727.db2.gz DYHMSPRCDWNTOH-QZNYNHHHSA-N 2 0 405.587 0.745 20 0 HCADRP CN(C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673122898 1080890870 /nfs/dbraw/zinc/89/08/70/1080890870.db2.gz DYHMSPRCDWNTOH-ZNBHLAFESA-N 2 0 405.587 0.745 20 0 HCADRP Cn1nccc1[C@H]1[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCC(=O)N1C1CC1 ZINC000673124174 1080887032 /nfs/dbraw/zinc/88/70/32/1080887032.db2.gz AKTJBZBXPWDAAF-YLJYHZDGSA-N 2 0 419.574 0.749 20 0 HCADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CCN([C@H]3CCC[NH+](C)C3)CC1)C2 ZINC000673158579 1080898414 /nfs/dbraw/zinc/89/84/14/1080898414.db2.gz YXODJNMYXLFNQE-NXEWRWPSSA-N 2 0 420.602 0.491 20 0 HCADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CCN([C@@H]3CCC[NH+](C)C3)CC1)C2 ZINC000673158580 1080898437 /nfs/dbraw/zinc/89/84/37/1080898437.db2.gz YXODJNMYXLFNQE-RAFMOHDBSA-N 2 0 420.602 0.491 20 0 HCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000673174203 1080899428 /nfs/dbraw/zinc/89/94/28/1080899428.db2.gz NMDDMBLWPYJBIM-AZUAARDMSA-N 3 0 403.571 0.575 20 0 HCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000673174204 1080899423 /nfs/dbraw/zinc/89/94/23/1080899423.db2.gz NMDDMBLWPYJBIM-ICSRJNTNSA-N 3 0 403.571 0.575 20 0 HCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000673174205 1080899345 /nfs/dbraw/zinc/89/93/45/1080899345.db2.gz NMDDMBLWPYJBIM-QUCCMNQESA-N 3 0 403.571 0.575 20 0 HCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000673174206 1080899318 /nfs/dbraw/zinc/89/93/18/1080899318.db2.gz NMDDMBLWPYJBIM-UYAOXDASSA-N 3 0 403.571 0.575 20 0 HCADRP CN(C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673178677 1080910621 /nfs/dbraw/zinc/91/06/21/1080910621.db2.gz TWRRMLGNSBWYAN-SKINQDTJSA-N 2 0 405.587 0.746 20 0 HCADRP CN(C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673178678 1080911537 /nfs/dbraw/zinc/91/15/37/1080911537.db2.gz TWRRMLGNSBWYAN-SYYJFZTOSA-N 2 0 405.587 0.746 20 0 HCADRP Cc1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(N2CCCC2)n1 ZINC000673258129 1080952030 /nfs/dbraw/zinc/95/20/30/1080952030.db2.gz JNEWEOHPDLGKJT-UHFFFAOYSA-N 2 0 404.559 0.558 20 0 HCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(=O)N1c1ccccc1 ZINC000673264642 1080954294 /nfs/dbraw/zinc/95/42/94/1080954294.db2.gz LSUCDLRHBKCJCS-AEFFLSMTSA-N 2 0 403.527 0.248 20 0 HCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(=O)N1c1ccccc1 ZINC000673264643 1080954235 /nfs/dbraw/zinc/95/42/35/1080954235.db2.gz LSUCDLRHBKCJCS-FUHWJXTLSA-N 2 0 403.527 0.248 20 0 HCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(=O)N1c1ccccc1 ZINC000673264644 1080954159 /nfs/dbraw/zinc/95/41/59/1080954159.db2.gz LSUCDLRHBKCJCS-SJLPKXTDSA-N 2 0 403.527 0.248 20 0 HCADRP C[C@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(=O)N1c1ccccc1 ZINC000673264645 1080954401 /nfs/dbraw/zinc/95/44/01/1080954401.db2.gz LSUCDLRHBKCJCS-WMZOPIPTSA-N 2 0 403.527 0.248 20 0 HCADRP CN(C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673274911 1080960402 /nfs/dbraw/zinc/96/04/02/1080960402.db2.gz CQDNKTFUNQCKPZ-IBGZPJMESA-N 3 0 407.603 0.852 20 0 HCADRP CN(C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673274912 1080960525 /nfs/dbraw/zinc/96/05/25/1080960525.db2.gz CQDNKTFUNQCKPZ-LJQANCHMSA-N 3 0 407.603 0.852 20 0 HCADRP C[C@@H](CCNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000673307605 1080991925 /nfs/dbraw/zinc/99/19/25/1080991925.db2.gz KWHHRGWWSSVIMV-AZUAARDMSA-N 2 0 407.603 0.994 20 0 HCADRP C[C@@H](CCNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000673307606 1080991767 /nfs/dbraw/zinc/99/17/67/1080991767.db2.gz KWHHRGWWSSVIMV-ICSRJNTNSA-N 2 0 407.603 0.994 20 0 HCADRP C[C@H](CCNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000673307607 1080991432 /nfs/dbraw/zinc/99/14/32/1080991432.db2.gz KWHHRGWWSSVIMV-QUCCMNQESA-N 2 0 407.603 0.994 20 0 HCADRP C[C@H](CCNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000673307608 1080991847 /nfs/dbraw/zinc/99/18/47/1080991847.db2.gz KWHHRGWWSSVIMV-UYAOXDASSA-N 2 0 407.603 0.994 20 0 HCADRP C[C@@H](CCNC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[NH+]1CCCCC1 ZINC000673308373 1080996210 /nfs/dbraw/zinc/99/62/10/1080996210.db2.gz QFRPZEVXOREROD-IBGZPJMESA-N 2 0 407.603 0.853 20 0 HCADRP C[C@H](CCNC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[NH+]1CCCCC1 ZINC000673308374 1080996100 /nfs/dbraw/zinc/99/61/00/1080996100.db2.gz QFRPZEVXOREROD-LJQANCHMSA-N 2 0 407.603 0.853 20 0 HCADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000673330097 1081008894 /nfs/dbraw/zinc/00/88/94/1081008894.db2.gz ZERVOMMETNBOBD-FQEVSTJZSA-N 2 0 414.550 0.956 20 0 HCADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000673330098 1081009162 /nfs/dbraw/zinc/00/91/62/1081009162.db2.gz ZERVOMMETNBOBD-HXUWFJFHSA-N 2 0 414.550 0.956 20 0 HCADRP C[C@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CN(C)CCO1 ZINC000673330273 1081004702 /nfs/dbraw/zinc/00/47/02/1081004702.db2.gz FKKUFFHIEKEXIH-JXFKEZNVSA-N 2 0 418.538 0.095 20 0 HCADRP C[C@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CN(C)CCO1 ZINC000673330274 1081004647 /nfs/dbraw/zinc/00/46/47/1081004647.db2.gz FKKUFFHIEKEXIH-OXJNMPFZSA-N 2 0 418.538 0.095 20 0 HCADRP C[C@@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CN(C)CCO1 ZINC000673330275 1081004496 /nfs/dbraw/zinc/00/44/96/1081004496.db2.gz FKKUFFHIEKEXIH-OXQOHEQNSA-N 2 0 418.538 0.095 20 0 HCADRP C[C@@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CN(C)CCO1 ZINC000673330276 1081004587 /nfs/dbraw/zinc/00/45/87/1081004587.db2.gz FKKUFFHIEKEXIH-UZLBHIALSA-N 2 0 418.538 0.095 20 0 HCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000673330308 1081004428 /nfs/dbraw/zinc/00/44/28/1081004428.db2.gz NOYQAIOLJYZKCZ-UHFFFAOYSA-N 2 0 402.539 0.814 20 0 HCADRP C[N@H+](CCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)Cc1ccc(F)cc1 ZINC000673348623 1081025564 /nfs/dbraw/zinc/02/55/64/1081025564.db2.gz XGCHFLHYZIMZIG-FQEVSTJZSA-N 2 0 419.545 0.612 20 0 HCADRP C[N@H+](CCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)Cc1ccc(F)cc1 ZINC000673348624 1081025618 /nfs/dbraw/zinc/02/56/18/1081025618.db2.gz XGCHFLHYZIMZIG-HXUWFJFHSA-N 2 0 419.545 0.612 20 0 HCADRP CN(C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673377520 1081041728 /nfs/dbraw/zinc/04/17/28/1081041728.db2.gz ZOCWNWUTTQEKJM-IBGZPJMESA-N 2 0 407.603 0.852 20 0 HCADRP CN(C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673377523 1081041664 /nfs/dbraw/zinc/04/16/64/1081041664.db2.gz ZOCWNWUTTQEKJM-LJQANCHMSA-N 2 0 407.603 0.852 20 0 HCADRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673423825 1081075734 /nfs/dbraw/zinc/07/57/34/1081075734.db2.gz BJHMHUNBXLHQOJ-NRFANRHFSA-N 2 0 423.517 0.613 20 0 HCADRP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673423826 1081075849 /nfs/dbraw/zinc/07/58/49/1081075849.db2.gz BJHMHUNBXLHQOJ-OAQYLSRUSA-N 2 0 423.517 0.613 20 0 HCADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000673423892 1081075026 /nfs/dbraw/zinc/07/50/26/1081075026.db2.gz STWMCYBXOFPYLR-FQEVSTJZSA-N 2 0 414.550 0.956 20 0 HCADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000673423893 1081075318 /nfs/dbraw/zinc/07/53/18/1081075318.db2.gz STWMCYBXOFPYLR-HXUWFJFHSA-N 2 0 414.550 0.956 20 0 HCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C[N@@H+]1C1CC1 ZINC000673423943 1081075047 /nfs/dbraw/zinc/07/50/47/1081075047.db2.gz DBPQLWJZIQGHMP-BPAFIMBUSA-N 2 0 400.523 0.611 20 0 HCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C[N@@H+]1C1CC1 ZINC000673423944 1081075131 /nfs/dbraw/zinc/07/51/31/1081075131.db2.gz DBPQLWJZIQGHMP-MOXGXCLJSA-N 2 0 400.523 0.611 20 0 HCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C[N@@H+]1C1CC1 ZINC000673423945 1081075790 /nfs/dbraw/zinc/07/57/90/1081075790.db2.gz DBPQLWJZIQGHMP-XFQXTVEOSA-N 2 0 400.523 0.611 20 0 HCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C[N@@H+]1C1CC1 ZINC000673423946 1081075680 /nfs/dbraw/zinc/07/56/80/1081075680.db2.gz DBPQLWJZIQGHMP-ZTNFWEORSA-N 2 0 400.523 0.611 20 0 HCADRP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000673424237 1081074714 /nfs/dbraw/zinc/07/47/14/1081074714.db2.gz LYEKOACOTMEJFR-LEWJYISDSA-N 2 0 414.550 0.956 20 0 HCADRP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000673424238 1081074596 /nfs/dbraw/zinc/07/45/96/1081074596.db2.gz LYEKOACOTMEJFR-NHCUHLMSSA-N 2 0 414.550 0.956 20 0 HCADRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000673424239 1081074778 /nfs/dbraw/zinc/07/47/78/1081074778.db2.gz LYEKOACOTMEJFR-RTWAWAEBSA-N 2 0 414.550 0.956 20 0 HCADRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000673424240 1081074736 /nfs/dbraw/zinc/07/47/36/1081074736.db2.gz LYEKOACOTMEJFR-SFTDATJTSA-N 2 0 414.550 0.956 20 0 HCADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)CC[N@@H+]1C ZINC000673424247 1081074677 /nfs/dbraw/zinc/07/46/77/1081074677.db2.gz NMWICAPDIHFZAH-AHRSYUTCSA-N 2 0 402.539 0.811 20 0 HCADRP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000673424248 1081074558 /nfs/dbraw/zinc/07/45/58/1081074558.db2.gz NMWICAPDIHFZAH-LSTHTHJFSA-N 2 0 402.539 0.811 20 0 HCADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000673424249 1081074798 /nfs/dbraw/zinc/07/47/98/1081074798.db2.gz NMWICAPDIHFZAH-NSISKUIASA-N 2 0 402.539 0.811 20 0 HCADRP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)CC[N@@H+]1C ZINC000673424250 1081074841 /nfs/dbraw/zinc/07/48/41/1081074841.db2.gz NMWICAPDIHFZAH-UXPWSPDFSA-N 2 0 402.539 0.811 20 0 HCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000673424329 1081074288 /nfs/dbraw/zinc/07/42/88/1081074288.db2.gz VIWPWRZJFFUXBE-PMACEKPBSA-N 2 0 402.539 0.858 20 0 HCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000673424333 1081074343 /nfs/dbraw/zinc/07/43/43/1081074343.db2.gz VIWPWRZJFFUXBE-UXHICEINSA-N 2 0 402.539 0.858 20 0 HCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000673424335 1081074187 /nfs/dbraw/zinc/07/41/87/1081074187.db2.gz VIWPWRZJFFUXBE-VQTJNVASSA-N 2 0 402.539 0.858 20 0 HCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000673424337 1081074651 /nfs/dbraw/zinc/07/46/51/1081074651.db2.gz VIWPWRZJFFUXBE-WOJBJXKFSA-N 2 0 402.539 0.858 20 0 HCADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000673426759 1081084218 /nfs/dbraw/zinc/08/42/18/1081084218.db2.gz BGLODGIBAJOCHW-KRWDZBQOSA-N 2 0 419.526 0.356 20 0 HCADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000673426760 1081084034 /nfs/dbraw/zinc/08/40/34/1081084034.db2.gz BGLODGIBAJOCHW-QGZVFWFLSA-N 2 0 419.526 0.356 20 0 HCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCCO1 ZINC000673426852 1081083668 /nfs/dbraw/zinc/08/36/68/1081083668.db2.gz WMVOCOFYUKFYIB-AZUAARDMSA-N 2 0 423.602 0.230 20 0 HCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCCO1 ZINC000673426853 1081083583 /nfs/dbraw/zinc/08/35/83/1081083583.db2.gz WMVOCOFYUKFYIB-ICSRJNTNSA-N 2 0 423.602 0.230 20 0 HCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCCO1 ZINC000673426854 1081083507 /nfs/dbraw/zinc/08/35/07/1081083507.db2.gz WMVOCOFYUKFYIB-QUCCMNQESA-N 2 0 423.602 0.230 20 0 HCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCCO1 ZINC000673426855 1081083719 /nfs/dbraw/zinc/08/37/19/1081083719.db2.gz WMVOCOFYUKFYIB-UYAOXDASSA-N 2 0 423.602 0.230 20 0 HCADRP C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000673446237 1081115260 /nfs/dbraw/zinc/11/52/60/1081115260.db2.gz NHIAWQOFBGFTCN-IRFCIJBXSA-N 2 0 419.614 0.994 20 0 HCADRP C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000673446238 1081115572 /nfs/dbraw/zinc/11/55/72/1081115572.db2.gz NHIAWQOFBGFTCN-QKNQBKEWSA-N 2 0 419.614 0.994 20 0 HCADRP C[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000673446239 1081115148 /nfs/dbraw/zinc/11/51/48/1081115148.db2.gz NHIAWQOFBGFTCN-ZJOUEHCJSA-N 2 0 419.614 0.994 20 0 HCADRP C[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000673446240 1081115335 /nfs/dbraw/zinc/11/53/35/1081115335.db2.gz NHIAWQOFBGFTCN-ZVDOUQERSA-N 2 0 419.614 0.994 20 0 HCADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)[C@@H]1c1ccccc1 ZINC000673454135 1081138181 /nfs/dbraw/zinc/13/81/81/1081138181.db2.gz WUTQWXKFOUFLSA-ACRUOGEOSA-N 2 0 413.566 0.786 20 0 HCADRP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)[C@@H]1c1ccccc1 ZINC000673454136 1081138448 /nfs/dbraw/zinc/13/84/48/1081138448.db2.gz WUTQWXKFOUFLSA-HBMCJLEFSA-N 2 0 413.566 0.786 20 0 HCADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)[C@H]1c1ccccc1 ZINC000673454137 1081138502 /nfs/dbraw/zinc/13/85/02/1081138502.db2.gz WUTQWXKFOUFLSA-PCCBWWKXSA-N 2 0 413.566 0.786 20 0 HCADRP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)[C@H]1c1ccccc1 ZINC000673454138 1081137919 /nfs/dbraw/zinc/13/79/19/1081137919.db2.gz WUTQWXKFOUFLSA-PWRODBHTSA-N 2 0 413.566 0.786 20 0 HCADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)ccn1 ZINC000673582092 1081318616 /nfs/dbraw/zinc/31/86/16/1081318616.db2.gz QMOKUDGMXOHGIX-GOSISDBHSA-N 2 0 403.527 0.725 20 0 HCADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)ccn1 ZINC000673582093 1081318548 /nfs/dbraw/zinc/31/85/48/1081318548.db2.gz QMOKUDGMXOHGIX-SFHVURJKSA-N 2 0 403.527 0.725 20 0 HCADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000673582164 1081318066 /nfs/dbraw/zinc/31/80/66/1081318066.db2.gz DSZBRUABRZYOSN-UHFFFAOYSA-N 2 0 412.494 0.382 20 0 HCADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)ccn1 ZINC000673582484 1081318215 /nfs/dbraw/zinc/31/82/15/1081318215.db2.gz KUEHUOWBTQTTCL-GOSISDBHSA-N 2 0 403.527 0.725 20 0 HCADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)ccn1 ZINC000673582485 1081318076 /nfs/dbraw/zinc/31/80/76/1081318076.db2.gz KUEHUOWBTQTTCL-SFHVURJKSA-N 2 0 403.527 0.725 20 0 HCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@H](C)C1 ZINC000673582592 1081321107 /nfs/dbraw/zinc/32/11/07/1081321107.db2.gz MBEKXPDEVGEUOG-AEFFLSMTSA-N 2 0 405.543 0.827 20 0 HCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000673582593 1081321011 /nfs/dbraw/zinc/32/10/11/1081321011.db2.gz MBEKXPDEVGEUOG-FUHWJXTLSA-N 2 0 405.543 0.827 20 0 HCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@H](C)C1 ZINC000673582594 1081320983 /nfs/dbraw/zinc/32/09/83/1081320983.db2.gz MBEKXPDEVGEUOG-SJLPKXTDSA-N 2 0 405.543 0.827 20 0 HCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000673582595 1081321124 /nfs/dbraw/zinc/32/11/24/1081321124.db2.gz MBEKXPDEVGEUOG-WMZOPIPTSA-N 2 0 405.543 0.827 20 0 HCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1 ZINC000673583444 1081317292 /nfs/dbraw/zinc/31/72/92/1081317292.db2.gz OYKSIPURLICDEA-AQNXPRMDSA-N 2 0 402.539 0.900 20 0 HCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000673583445 1081317431 /nfs/dbraw/zinc/31/74/31/1081317431.db2.gz OYKSIPURLICDEA-VAMGGRTRSA-N 2 0 402.539 0.900 20 0 HCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000673583446 1081317383 /nfs/dbraw/zinc/31/73/83/1081317383.db2.gz OYKSIPURLICDEA-XUVXKRRUSA-N 2 0 402.539 0.900 20 0 HCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccccc1 ZINC000673583447 1081317222 /nfs/dbraw/zinc/31/72/22/1081317222.db2.gz OYKSIPURLICDEA-ZCNNSNEGSA-N 2 0 402.539 0.900 20 0 HCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673583973 1081322761 /nfs/dbraw/zinc/32/27/61/1081322761.db2.gz CHPWXJPVMDLNDI-MOPGFXCFSA-N 2 0 401.511 0.224 20 0 HCADRP O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673583974 1081322753 /nfs/dbraw/zinc/32/27/53/1081322753.db2.gz CHPWXJPVMDLNDI-OALUTQOASA-N 2 0 401.511 0.224 20 0 HCADRP O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673583975 1081322789 /nfs/dbraw/zinc/32/27/89/1081322789.db2.gz CHPWXJPVMDLNDI-RBUKOAKNSA-N 2 0 401.511 0.224 20 0 HCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673583976 1081322773 /nfs/dbraw/zinc/32/27/73/1081322773.db2.gz CHPWXJPVMDLNDI-RTBURBONSA-N 2 0 401.511 0.224 20 0 HCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673584817 1081319900 /nfs/dbraw/zinc/31/99/00/1081319900.db2.gz OSUIJMJTKHULAD-MOPGFXCFSA-N 2 0 424.586 0.486 20 0 HCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673584818 1081319812 /nfs/dbraw/zinc/31/98/12/1081319812.db2.gz OSUIJMJTKHULAD-OALUTQOASA-N 2 0 424.586 0.486 20 0 HCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000673584819 1081319923 /nfs/dbraw/zinc/31/99/23/1081319923.db2.gz OSUIJMJTKHULAD-RBUKOAKNSA-N 2 0 424.586 0.486 20 0 HCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000673584820 1081319831 /nfs/dbraw/zinc/31/98/31/1081319831.db2.gz OSUIJMJTKHULAD-RTBURBONSA-N 2 0 424.586 0.486 20 0 HCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000673585010 1081319945 /nfs/dbraw/zinc/31/99/45/1081319945.db2.gz BBJOJIZIRKHKJN-FUMNGEBKSA-N 2 0 406.571 0.956 20 0 HCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000673585011 1081319729 /nfs/dbraw/zinc/31/97/29/1081319729.db2.gz BBJOJIZIRKHKJN-FYQPLNBISA-N 2 0 406.571 0.956 20 0 HCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000673585012 1081319654 /nfs/dbraw/zinc/31/96/54/1081319654.db2.gz BBJOJIZIRKHKJN-IYWMVGAKSA-N 2 0 406.571 0.956 20 0 HCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000673585013 1081319875 /nfs/dbraw/zinc/31/98/75/1081319875.db2.gz BBJOJIZIRKHKJN-WCIQWLHISA-N 2 0 406.571 0.956 20 0 HCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000673585310 1081319314 /nfs/dbraw/zinc/31/93/14/1081319314.db2.gz YREJLSPCZBIOTE-AABGKKOBSA-N 2 0 424.586 0.440 20 0 HCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000673585311 1081319264 /nfs/dbraw/zinc/31/92/64/1081319264.db2.gz YREJLSPCZBIOTE-AQNXPRMDSA-N 2 0 424.586 0.440 20 0 HCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000673585312 1081319290 /nfs/dbraw/zinc/31/92/90/1081319290.db2.gz YREJLSPCZBIOTE-HSALFYBXSA-N 2 0 424.586 0.440 20 0 HCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000673585313 1081319365 /nfs/dbraw/zinc/31/93/65/1081319365.db2.gz YREJLSPCZBIOTE-VAMGGRTRSA-N 2 0 424.586 0.440 20 0 HCADRP O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673585722 1081325854 /nfs/dbraw/zinc/32/58/54/1081325854.db2.gz CSXVNRIBDPQSIF-PMACEKPBSA-N 2 0 415.538 0.614 20 0 HCADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673585723 1081325952 /nfs/dbraw/zinc/32/59/52/1081325952.db2.gz CSXVNRIBDPQSIF-UXHICEINSA-N 2 0 415.538 0.614 20 0 HCADRP O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673585724 1081325921 /nfs/dbraw/zinc/32/59/21/1081325921.db2.gz CSXVNRIBDPQSIF-VQTJNVASSA-N 2 0 415.538 0.614 20 0 HCADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673585725 1081325867 /nfs/dbraw/zinc/32/58/67/1081325867.db2.gz CSXVNRIBDPQSIF-WOJBJXKFSA-N 2 0 415.538 0.614 20 0 HCADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000673586686 1081326288 /nfs/dbraw/zinc/32/62/88/1081326288.db2.gz VDVFRLDSHKWJFE-AQNXPRMDSA-N 2 0 406.571 0.957 20 0 HCADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000673586692 1081326853 /nfs/dbraw/zinc/32/68/53/1081326853.db2.gz VDVFRLDSHKWJFE-VAMGGRTRSA-N 2 0 406.571 0.957 20 0 HCADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000673586694 1081326896 /nfs/dbraw/zinc/32/68/96/1081326896.db2.gz VDVFRLDSHKWJFE-XUVXKRRUSA-N 2 0 406.571 0.957 20 0 HCADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000673586696 1081326768 /nfs/dbraw/zinc/32/67/68/1081326768.db2.gz VDVFRLDSHKWJFE-ZCNNSNEGSA-N 2 0 406.571 0.957 20 0 HCADRP CC(C)[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000761302126 1073512579 /nfs/dbraw/zinc/51/25/79/1073512579.db2.gz NPYAQTWLFUAEFI-UHFFFAOYSA-N 2 0 417.554 0.728 20 0 HCADRP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C1(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCC1 ZINC000761751463 1077651183 /nfs/dbraw/zinc/65/11/83/1077651183.db2.gz LEMXMHFVOHPYNT-FCGDIQPGSA-N 2 0 420.554 0.116 20 0 HCADRP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C1(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCC1 ZINC000761751766 1077653841 /nfs/dbraw/zinc/65/38/41/1077653841.db2.gz LEMXMHFVOHPYNT-MKXGPGLRSA-N 2 0 420.554 0.116 20 0 HCADRP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C1(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCC1 ZINC000761751769 1077653713 /nfs/dbraw/zinc/65/37/13/1077653713.db2.gz LEMXMHFVOHPYNT-NCXUSEDFSA-N 2 0 420.554 0.116 20 0 HCADRP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C1(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCC1 ZINC000761751772 1077653957 /nfs/dbraw/zinc/65/39/57/1077653957.db2.gz LEMXMHFVOHPYNT-QGFMHUBQSA-N 2 0 420.554 0.116 20 0 HCADRP C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NC[C@@]3(O)CC[N@H+](C)C3)cc2)CC1 ZINC000762699469 1077884572 /nfs/dbraw/zinc/88/45/72/1077884572.db2.gz JDYUVJJKCKPWHH-NRFANRHFSA-N 2 0 403.527 0.338 20 0 HCADRP C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NC[C@]3(O)CC[N@H+](C)C3)cc2)CC1 ZINC000762699470 1077884589 /nfs/dbraw/zinc/88/45/89/1077884589.db2.gz JDYUVJJKCKPWHH-OAQYLSRUSA-N 2 0 403.527 0.338 20 0 HCADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NC[C@]3(O)CC[N@H+](C)C3)cc2)CC1 ZINC000762699484 1077884545 /nfs/dbraw/zinc/88/45/45/1077884545.db2.gz JKTFUKCFHMSDMO-JOCHJYFZSA-N 2 0 417.554 0.586 20 0 HCADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NC[C@@]3(O)CC[N@H+](C)C3)cc2)CC1 ZINC000762699485 1077884500 /nfs/dbraw/zinc/88/45/00/1077884500.db2.gz JKTFUKCFHMSDMO-QFIPXVFZSA-N 2 0 417.554 0.586 20 0 HCADRP CN(c1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1)C1CC[NH+](C)CC1 ZINC000762701757 1077885563 /nfs/dbraw/zinc/88/55/63/1077885563.db2.gz QMPGGVGWTVYJDU-NRFANRHFSA-N 2 0 403.527 0.338 20 0 HCADRP CN(c1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1)C1CC[NH+](C)CC1 ZINC000762701759 1077885622 /nfs/dbraw/zinc/88/56/22/1077885622.db2.gz QMPGGVGWTVYJDU-OAQYLSRUSA-N 2 0 403.527 0.338 20 0 HCADRP C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NC[C@@]3(O)CC[N@H+](C)C3)cc2F)CC1 ZINC000762704587 1077887735 /nfs/dbraw/zinc/88/77/35/1077887735.db2.gz VWCBWXOZZXXQQJ-NRFANRHFSA-N 2 0 421.517 0.477 20 0 HCADRP C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NC[C@]3(O)CC[N@H+](C)C3)cc2F)CC1 ZINC000762704592 1077887685 /nfs/dbraw/zinc/88/76/85/1077887685.db2.gz VWCBWXOZZXXQQJ-OAQYLSRUSA-N 2 0 421.517 0.477 20 0 HCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000763484736 1078805473 /nfs/dbraw/zinc/80/54/73/1078805473.db2.gz DGZOCMKQYQAYOR-GOSISDBHSA-N 2 0 402.499 0.830 20 0 HCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCN2C(=O)OCC[C@H]2C1 ZINC000763484738 1078805886 /nfs/dbraw/zinc/80/58/86/1078805886.db2.gz DGZOCMKQYQAYOR-SFHVURJKSA-N 2 0 402.499 0.830 20 0 HCADRP COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000764467248 1079345926 /nfs/dbraw/zinc/34/59/26/1079345926.db2.gz OQUXJSRWKKQKTP-OUXIGPNZSA-N 2 0 410.584 0.924 20 0 HCADRP COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000764467249 1079346258 /nfs/dbraw/zinc/34/62/58/1079346258.db2.gz OQUXJSRWKKQKTP-XGSMPBFLSA-N 2 0 410.584 0.924 20 0 HCADRP COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000764467250 1079346236 /nfs/dbraw/zinc/34/62/36/1079346236.db2.gz OQUXJSRWKKQKTP-YVPLBCMISA-N 2 0 410.584 0.924 20 0 HCADRP COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000764467251 1079346041 /nfs/dbraw/zinc/34/60/41/1079346041.db2.gz OQUXJSRWKKQKTP-ZAODVUJUSA-N 2 0 410.584 0.924 20 0 HCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CONC(=[NH2+])[C@H]2COc3ccccc3O2)C1 ZINC000764574584 1079353428 /nfs/dbraw/zinc/35/34/28/1079353428.db2.gz VTRBPRLASMHHGD-CRAIPNDOSA-N 2 0 406.483 0.798 20 0 HCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CONC(=[NH2+])[C@H]2COc3ccccc3O2)C1 ZINC000764575417 1079354223 /nfs/dbraw/zinc/35/42/23/1079354223.db2.gz VTRBPRLASMHHGD-MAUKXSAKSA-N 2 0 406.483 0.798 20 0 HCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CONC(=[NH2+])[C@@H]2COc3ccccc3O2)C1 ZINC000764575418 1079354385 /nfs/dbraw/zinc/35/43/85/1079354385.db2.gz VTRBPRLASMHHGD-QAPCUYQASA-N 2 0 406.483 0.798 20 0 HCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CONC(=[NH2+])[C@@H]2COc3ccccc3O2)C1 ZINC000764575420 1079354348 /nfs/dbraw/zinc/35/43/48/1079354348.db2.gz VTRBPRLASMHHGD-YJBOKZPZSA-N 2 0 406.483 0.798 20 0 HCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CCCO1 ZINC000764689837 1079362222 /nfs/dbraw/zinc/36/22/22/1079362222.db2.gz WJKJKSVZKUUFOW-GOSISDBHSA-N 2 0 417.554 0.994 20 0 HCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CCCO1 ZINC000764689838 1079362349 /nfs/dbraw/zinc/36/23/49/1079362349.db2.gz WJKJKSVZKUUFOW-SFHVURJKSA-N 2 0 417.554 0.994 20 0 HCADRP Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1N1C(=O)CCC1=O ZINC000784392586 1077394237 /nfs/dbraw/zinc/39/42/37/1077394237.db2.gz JNNHRVFLOVHEIN-UHFFFAOYSA-N 2 0 417.510 0.539 20 0 HCADRP C[C@H]1COCCN1c1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000784393488 1077406443 /nfs/dbraw/zinc/40/64/43/1077406443.db2.gz KGMZQVACUGNFAV-KRWDZBQOSA-N 2 0 405.543 0.802 20 0 HCADRP C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000784393490 1077407580 /nfs/dbraw/zinc/40/75/80/1077407580.db2.gz KGMZQVACUGNFAV-QGZVFWFLSA-N 2 0 405.543 0.802 20 0 HCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000784393563 1077402044 /nfs/dbraw/zinc/40/20/44/1077402044.db2.gz MHUPQNFUWKMJTN-UHFFFAOYSA-N 2 0 420.482 0.573 20 0 HCADRP Cc1c(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cccc1N1CCOC1=O ZINC000784394072 1077398653 /nfs/dbraw/zinc/39/86/53/1077398653.db2.gz PGABJNYUUJEVOD-UHFFFAOYSA-N 2 0 405.499 0.842 20 0 HCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000784394121 1077399822 /nfs/dbraw/zinc/39/98/22/1077399822.db2.gz QAZLQDAVWDTPDR-UHFFFAOYSA-N 2 0 405.499 0.529 20 0 HCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000784394858 1077416462 /nfs/dbraw/zinc/41/64/62/1077416462.db2.gz VYUFJCOEFLWFJN-UHFFFAOYSA-N 3 0 404.559 0.329 20 0 HCADRP Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1N1CCOC1=O ZINC000784394880 1077417392 /nfs/dbraw/zinc/41/73/92/1077417392.db2.gz WPOPAWPKHVIRCS-UHFFFAOYSA-N 2 0 405.499 0.842 20 0 HCADRP C[C@H]1CN(c2ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2)CCO1 ZINC000784394885 1077417320 /nfs/dbraw/zinc/41/73/20/1077417320.db2.gz WUPRAMQFHRBEOW-KRWDZBQOSA-N 2 0 405.543 0.802 20 0 HCADRP C[C@@H]1CN(c2ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2)CCO1 ZINC000784394886 1077417116 /nfs/dbraw/zinc/41/71/16/1077417116.db2.gz WUPRAMQFHRBEOW-QGZVFWFLSA-N 2 0 405.543 0.802 20 0 HCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000915729722 1077964952 /nfs/dbraw/zinc/96/49/52/1077964952.db2.gz VASRNHQLSIPIJX-GOSISDBHSA-N 2 0 417.554 0.850 20 0 HCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000915729725 1077965004 /nfs/dbraw/zinc/96/50/04/1077965004.db2.gz VASRNHQLSIPIJX-SFHVURJKSA-N 2 0 417.554 0.850 20 0 HCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCCN3CC[NH+](C)CC3)cc2)CC1 ZINC000915740458 1077966573 /nfs/dbraw/zinc/96/65/73/1077966573.db2.gz VHPCGWNCWVLQRQ-UHFFFAOYSA-N 2 0 416.570 0.521 20 0 HCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000915754100 1077968612 /nfs/dbraw/zinc/96/86/12/1077968612.db2.gz IOBSZDRLLQLDCK-HDICACEKSA-N 2 0 417.554 0.992 20 0 HCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000915754101 1077968727 /nfs/dbraw/zinc/96/87/27/1077968727.db2.gz IOBSZDRLLQLDCK-QZTJIDSGSA-N 2 0 417.554 0.992 20 0 HCADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000915754102 1077968635 /nfs/dbraw/zinc/96/86/35/1077968635.db2.gz IOBSZDRLLQLDCK-ROUUACIJSA-N 2 0 417.554 0.992 20 0 HCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000915758913 1077970055 /nfs/dbraw/zinc/97/00/55/1077970055.db2.gz IBKRPUUWGNKRSY-UHFFFAOYSA-N 2 0 416.570 0.519 20 0 HCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H](O)C[NH+]3CCCCC3)cc2)CC1 ZINC000915765877 1077971581 /nfs/dbraw/zinc/97/15/81/1077971581.db2.gz ARJKUBRKOWOSRW-FQEVSTJZSA-N 2 0 417.554 0.730 20 0 HCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]3CCCCC3)cc2)CC1 ZINC000915765881 1077971423 /nfs/dbraw/zinc/97/14/23/1077971423.db2.gz ARJKUBRKOWOSRW-HXUWFJFHSA-N 2 0 417.554 0.730 20 0 HCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000915767164 1077971518 /nfs/dbraw/zinc/97/15/18/1077971518.db2.gz STRKSNYOZCWHBB-KRWDZBQOSA-N 2 0 403.527 0.340 20 0 HCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000915767165 1077971381 /nfs/dbraw/zinc/97/13/81/1077971381.db2.gz STRKSNYOZCWHBB-QGZVFWFLSA-N 2 0 403.527 0.340 20 0 HCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000915774215 1077977810 /nfs/dbraw/zinc/97/78/10/1077977810.db2.gz NKDFPFZHLVMMHP-UHFFFAOYSA-N 2 0 403.527 0.606 20 0 HCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCCC[NH+]3CCOCC3)cc2)CC1 ZINC000915774586 1077977584 /nfs/dbraw/zinc/97/75/84/1077977584.db2.gz VMFQLKCKGOKXPZ-UHFFFAOYSA-N 2 0 417.554 0.996 20 0 HCADRP CC[NH+]1CCN(c2ccc(NC(=O)CN3CCN(C(=O)C[NH+](C)C)CC3)cc2)CC1 ZINC000917051733 1078190026 /nfs/dbraw/zinc/19/00/26/1078190026.db2.gz ITSAZWLDDSROMM-UHFFFAOYSA-N 2 0 416.570 0.473 20 0 HCADRP CCOC(=O)C1CCN(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)CC1 ZINC000917657066 1078320724 /nfs/dbraw/zinc/32/07/24/1078320724.db2.gz RXAAASYFJROZQA-UHFFFAOYSA-N 2 0 404.577 0.464 20 0 HCADRP CNS(=O)(=O)c1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)cc1 ZINC000917657279 1078320606 /nfs/dbraw/zinc/32/06/06/1078320606.db2.gz XGHFJAFIVCIAGJ-UHFFFAOYSA-N 2 0 418.585 0.241 20 0 HCADRP CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000918260009 1078377743 /nfs/dbraw/zinc/37/77/43/1078377743.db2.gz LDQKCSSTYZKBHY-UHFFFAOYSA-N 2 0 416.570 0.521 20 0 HCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NC[C@H](O)C[NH+]3CCCCC3)cc2)CC1 ZINC000918262271 1078378456 /nfs/dbraw/zinc/37/84/56/1078378456.db2.gz YXOQJTMHIRFMFN-FQEVSTJZSA-N 2 0 417.554 0.730 20 0 HCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]3CCCCC3)cc2)CC1 ZINC000918262272 1078378487 /nfs/dbraw/zinc/37/84/87/1078378487.db2.gz YXOQJTMHIRFMFN-HXUWFJFHSA-N 2 0 417.554 0.730 20 0 HCADRP COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(N2CCC[NH+](C)CC2)cc1 ZINC000918265232 1078382670 /nfs/dbraw/zinc/38/26/70/1078382670.db2.gz GZYXRLMCQWDDIV-UHFFFAOYSA-N 2 0 405.543 0.852 20 0 HCADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCCCC[NH+]3CCOCC3)cc2)CC1 ZINC000918271502 1078379991 /nfs/dbraw/zinc/37/99/91/1078379991.db2.gz TYALGGVXZATPFY-UHFFFAOYSA-N 2 0 417.554 0.996 20 0 HCADRP CCOC(=O)N1CCN(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC000919935609 1079048920 /nfs/dbraw/zinc/04/89/20/1079048920.db2.gz DGCMVZCSLXKMBM-UHFFFAOYSA-N 2 0 407.581 0.211 20 0 HCADRP O=C(C[NH+]1CCC(C(=O)NCCO)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000920208190 1079130958 /nfs/dbraw/zinc/13/09/58/1079130958.db2.gz BEBMFRANLZQYJF-UHFFFAOYSA-N 2 0 402.539 0.719 20 0 HCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH+]2CCC(C(=O)NCCO)CC2)CC1 ZINC000920209034 1079131022 /nfs/dbraw/zinc/13/10/22/1079131022.db2.gz XOCAIZDFRZINNQ-UHFFFAOYSA-N 2 0 416.566 0.896 20 0 HCADRP C[NH+]1CCC(NC(=S)N2CCCN(C(=S)NC3CC[NH+](C)CC3)CC2)CC1 ZINC000920306837 1079145752 /nfs/dbraw/zinc/14/57/52/1079145752.db2.gz QWBHMMGAVWRNFJ-UHFFFAOYSA-N 2 0 412.673 0.932 20 0 HCADRP C[C@H]1CN(C(=S)NC2CC[NH+](C)CC2)CCN1C(=S)NC1CC[NH+](C)CC1 ZINC000920307610 1079146298 /nfs/dbraw/zinc/14/62/98/1079146298.db2.gz UPKZYKYJEHGOMP-HNNXBMFYSA-N 2 0 412.673 0.930 20 0 HCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC3CC[NH+](CCOC)CC3)cc2)CC1 ZINC000920786953 1079207622 /nfs/dbraw/zinc/20/76/22/1079207622.db2.gz MQOCCEPMDQGFQW-UHFFFAOYSA-N 2 0 417.554 0.994 20 0 HCADRP COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000920787129 1079207578 /nfs/dbraw/zinc/20/75/78/1079207578.db2.gz PRXFNKXCAXEJMA-UHFFFAOYSA-N 2 0 403.527 0.604 20 0 HCADRP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C3)CC[N@@H+]1C ZINC000996914536 1079395921 /nfs/dbraw/zinc/39/59/21/1079395921.db2.gz KVYBHKXGTLGFPO-DBDQLMEASA-N 2 0 402.543 0.647 20 0 HCADRP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C3)CC[N@@H+]1C ZINC000996965676 1079413432 /nfs/dbraw/zinc/41/34/32/1079413432.db2.gz AEMAZTDLLGJVIW-RFLLJTPXSA-N 2 0 402.543 0.647 20 0 HCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cnn(CC[NH+](C)C)c2)CC[N@@H+]1C ZINC000997010992 1079424339 /nfs/dbraw/zinc/42/43/39/1079424339.db2.gz DIHLLIRZPLBFJN-DBDQLMEASA-N 2 0 402.543 0.647 20 0 HCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccn(CC[NH+](C)C)n2)CC[N@@H+]1C ZINC000997012975 1079424734 /nfs/dbraw/zinc/42/47/34/1079424734.db2.gz OREVJHMFXFGFCS-RFLLJTPXSA-N 2 0 402.543 0.647 20 0 HCADRP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C3)CC[N@@H+]1C ZINC001003070197 1080861163 /nfs/dbraw/zinc/86/11/63/1080861163.db2.gz KVYBHKXGTLGFPO-SJQORLFUSA-N 2 0 402.543 0.647 20 0 HCADRP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C3)CC[N@@H+]1C ZINC001003114899 1080877544 /nfs/dbraw/zinc/87/75/44/1080877544.db2.gz AEMAZTDLLGJVIW-RTYCURFASA-N 2 0 402.543 0.647 20 0 HCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cnn(CC[NH+](C)C)c2)CC[N@@H+]1C ZINC001003149189 1080890039 /nfs/dbraw/zinc/89/00/39/1080890039.db2.gz DIHLLIRZPLBFJN-SJQORLFUSA-N 2 0 402.543 0.647 20 0 HCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccn(CC[NH+](C)C)n2)CC[N@@H+]1C ZINC001003149862 1080890112 /nfs/dbraw/zinc/89/01/12/1080890112.db2.gz OREVJHMFXFGFCS-RTYCURFASA-N 2 0 402.543 0.647 20 0 HCADRP COCCN1CCN(C)C2(CCN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)CC2)C1=O ZINC001164642367 719278933 /nfs/dbraw/zinc/27/89/33/719278933.db2.gz ZYJKBKBQTOUCNM-UHFFFAOYSA-N 2 0 416.570 0.769 20 0 HCADRP C[NH+]1CCN(c2cccc(N(Cc3noc4c3C[NH2+]CC4)S(C)(=O)=O)n2)CC1 ZINC001164654876 719327340 /nfs/dbraw/zinc/32/73/40/719327340.db2.gz NIUVUUIIOHJGBZ-UHFFFAOYSA-N 2 0 406.512 0.433 20 0 HCADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCn4c(CN5CCOCC5)nnc4C3)c2)CC1 ZINC001164680930 719590181 /nfs/dbraw/zinc/59/01/81/719590181.db2.gz TXBYZVPDXLPLTD-UHFFFAOYSA-N 2 0 413.526 0.999 20 0 HCADRP Cn1nnc2c1CCN(c1ncnc3c1CC[NH2+]CC3)[C@H]2COCC[NH+]1CCCC1 ZINC001164711921 720166098 /nfs/dbraw/zinc/16/60/98/720166098.db2.gz DQMUPMRGLAOBKN-IBGZPJMESA-N 2 0 412.542 0.510 20 0 HCADRP Cn1nnc2c1CCN(c1ncnc3c1CC[NH2+]CC3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164711922 720166417 /nfs/dbraw/zinc/16/64/17/720166417.db2.gz DQMUPMRGLAOBKN-LJQANCHMSA-N 2 0 412.542 0.510 20 0 HCADRP Cc1cnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1C1C[NH2+]C1 ZINC001164719681 720207400 /nfs/dbraw/zinc/20/74/00/720207400.db2.gz SHRMMMPKTRTXSG-GOSISDBHSA-N 2 0 412.542 0.817 20 0 HCADRP Cc1cnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1C1C[NH2+]C1 ZINC001164719683 720206693 /nfs/dbraw/zinc/20/66/93/720206693.db2.gz SHRMMMPKTRTXSG-SFHVURJKSA-N 2 0 412.542 0.817 20 0 HCADRP CNC(=O)CN1CCOC[C@]2(CCCN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)C2)C1 ZINC001164721584 720275434 /nfs/dbraw/zinc/27/54/34/720275434.db2.gz LKLGFIOXQMYBGF-JOCHJYFZSA-N 2 0 416.570 0.674 20 0 HCADRP CNC(=O)CN1CCOC[C@@]2(CCCN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)C2)C1 ZINC001164721585 720274480 /nfs/dbraw/zinc/27/44/80/720274480.db2.gz LKLGFIOXQMYBGF-QFIPXVFZSA-N 2 0 416.570 0.674 20 0 HCADRP O=C(c1cccnc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1)N1CC[NH2+]CC1 ZINC001164729653 720571981 /nfs/dbraw/zinc/57/19/81/720571981.db2.gz SGFRBGAELLASLC-UHFFFAOYSA-N 2 0 409.538 0.982 20 0 HCADRP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164738482 720816647 /nfs/dbraw/zinc/81/66/47/720816647.db2.gz FZAHYJLBPRLHRP-AABGKKOBSA-N 2 0 423.569 0.857 20 0 HCADRP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164738486 720816774 /nfs/dbraw/zinc/81/67/74/720816774.db2.gz FZAHYJLBPRLHRP-HSALFYBXSA-N 2 0 423.569 0.857 20 0 HCADRP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164738488 720816657 /nfs/dbraw/zinc/81/66/57/720816657.db2.gz FZAHYJLBPRLHRP-SLFFLAALSA-N 2 0 423.569 0.857 20 0 HCADRP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164738490 720816841 /nfs/dbraw/zinc/81/68/41/720816841.db2.gz FZAHYJLBPRLHRP-UFYCRDLUSA-N 2 0 423.569 0.857 20 0 HCADRP c1ncn(C[C@@H]2C[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164744525 720832324 /nfs/dbraw/zinc/83/23/24/720832324.db2.gz UVMAJYFOGOFWKR-AABGKKOBSA-N 2 0 423.569 0.857 20 0 HCADRP c1ncn(C[C@@H]2C[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164744528 720832421 /nfs/dbraw/zinc/83/24/21/720832421.db2.gz UVMAJYFOGOFWKR-HSALFYBXSA-N 2 0 423.569 0.857 20 0 HCADRP c1ncn(C[C@@H]2C[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164744529 720831995 /nfs/dbraw/zinc/83/19/95/720831995.db2.gz UVMAJYFOGOFWKR-SLFFLAALSA-N 2 0 423.569 0.857 20 0 HCADRP c1ncn(C[C@@H]2C[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164744531 720832371 /nfs/dbraw/zinc/83/23/71/720832371.db2.gz UVMAJYFOGOFWKR-UFYCRDLUSA-N 2 0 423.569 0.857 20 0 HCADRP c1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nnc1OCC1CC[NH2+]CC1 ZINC001164746714 720794816 /nfs/dbraw/zinc/79/48/16/720794816.db2.gz MUUZYFRQGCQWRQ-MSOLQXFVSA-N 2 0 411.510 0.987 20 0 HCADRP c1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nnc1OCC1CC[NH2+]CC1 ZINC001164746715 720793680 /nfs/dbraw/zinc/79/36/80/720793680.db2.gz MUUZYFRQGCQWRQ-QZTJIDSGSA-N 2 0 411.510 0.987 20 0 HCADRP c1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nnc1OCC1CC[NH2+]CC1 ZINC001164746716 720794378 /nfs/dbraw/zinc/79/43/78/720794378.db2.gz MUUZYFRQGCQWRQ-ROUUACIJSA-N 2 0 411.510 0.987 20 0 HCADRP c1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nnc1OCC1CC[NH2+]CC1 ZINC001164746717 720795626 /nfs/dbraw/zinc/79/56/26/720795626.db2.gz MUUZYFRQGCQWRQ-ZWKOTPCHSA-N 2 0 411.510 0.987 20 0 HCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(c1nccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164749870 720959579 /nfs/dbraw/zinc/95/95/79/720959579.db2.gz HYPFTAUPHONFKS-UHFFFAOYSA-N 2 0 414.514 0.246 20 0 HCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(c1cccc(N3CCOCC3)[nH+]1)CC2 ZINC001164750978 720961027 /nfs/dbraw/zinc/96/10/27/720961027.db2.gz OMBKGLJBNXYWRF-UHFFFAOYSA-N 2 0 400.483 0.760 20 0 HCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(Cl)nc3c1C[NH2+]CC3)CC2 ZINC001164751300 720945246 /nfs/dbraw/zinc/94/52/46/720945246.db2.gz LDYWRKWWLKADLT-UHFFFAOYSA-N 2 0 405.890 0.618 20 0 HCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164751321 720946465 /nfs/dbraw/zinc/94/64/65/720946465.db2.gz PCPULDLNTNSTRO-UHFFFAOYSA-N 2 0 414.514 0.071 20 0 HCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164751354 720947878 /nfs/dbraw/zinc/94/78/78/720947878.db2.gz PVFXDAOQCUNZNY-UHFFFAOYSA-N 2 0 405.890 0.618 20 0 HCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(c1cccc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164751763 720958647 /nfs/dbraw/zinc/95/86/47/720958647.db2.gz UAHUHKFQKDPSCC-UHFFFAOYSA-N 2 0 413.526 0.676 20 0 HCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)CC2 ZINC001164752254 720960799 /nfs/dbraw/zinc/96/07/99/720960799.db2.gz USNLRLQFXBUUPM-UHFFFAOYSA-N 3 0 413.526 0.851 20 0 HCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc(OC3CC[NH2+]CC3)nn1)CC2 ZINC001164754498 720963850 /nfs/dbraw/zinc/96/38/50/720963850.db2.gz SLJAYIAEZBOPPR-UHFFFAOYSA-N 2 0 415.498 0.450 20 0 HCADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncccc4C(=O)N4CC[NH2+]CC4)C[C@@H]3C2)cn1 ZINC001164764160 721163578 /nfs/dbraw/zinc/16/35/78/721163578.db2.gz HHPPQNFSWVXJCQ-MOPGFXCFSA-N 2 0 409.538 0.819 20 0 HCADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncccc4C(=O)N4CC[NH2+]CC4)C[C@@H]3C2)cn1 ZINC001164764163 721162952 /nfs/dbraw/zinc/16/29/52/721162952.db2.gz HHPPQNFSWVXJCQ-OALUTQOASA-N 2 0 409.538 0.819 20 0 HCADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncccc4C(=O)N4CC[NH2+]CC4)C[C@H]3C2)cn1 ZINC001164764166 721162280 /nfs/dbraw/zinc/16/22/80/721162280.db2.gz HHPPQNFSWVXJCQ-RBUKOAKNSA-N 2 0 409.538 0.819 20 0 HCADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncccc4C(=O)N4CC[NH2+]CC4)C[C@H]3C2)cn1 ZINC001164764169 721162988 /nfs/dbraw/zinc/16/29/88/721162988.db2.gz HHPPQNFSWVXJCQ-RTBURBONSA-N 2 0 409.538 0.819 20 0 HCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)nc4c2CC[NH2+]C4)CC3)CC1 ZINC001164794110 721510006 /nfs/dbraw/zinc/51/00/06/721510006.db2.gz GCUKKUFPBPRMFH-UHFFFAOYSA-N 2 0 402.934 0.740 20 0 HCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)nc4c2C[NH2+]CC4)CC3)CC1 ZINC001164794525 721508267 /nfs/dbraw/zinc/50/82/67/721508267.db2.gz AGIAFUDHWOEUDO-UHFFFAOYSA-N 2 0 402.934 0.740 20 0 HCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(OC4CC[NH2+]CC4)nn2)CC3)CC1 ZINC001164795381 721519453 /nfs/dbraw/zinc/51/94/53/721519453.db2.gz OBXBFKVRORAPDJ-UHFFFAOYSA-N 2 0 412.542 0.572 20 0 HCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(c2cccc(N4CCC([NH3+])CC4)[nH+]2)CC3)CC1 ZINC001164796810 721517507 /nfs/dbraw/zinc/51/75/07/721517507.db2.gz CSYAUSJJQHKAKT-UHFFFAOYSA-N 3 0 410.570 0.973 20 0 HCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncccc2C(=O)N2CC[NH2+]CC2)CC3)CC1 ZINC001164797780 721515868 /nfs/dbraw/zinc/51/58/68/721515868.db2.gz NAOPNCWCPQKOTC-UHFFFAOYSA-N 2 0 424.553 0.091 20 0 HCADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H](NC(=O)c4cnccn4)[C@H]4COC[C@@H]43)c2)CC1 ZINC001164801073 721599317 /nfs/dbraw/zinc/59/93/17/721599317.db2.gz NSRRKXIVSFWHBP-HOJAQTOUSA-N 2 0 424.505 0.978 20 0 HCADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H](NC(=O)c4cnccn4)[C@@H]4COC[C@@H]43)c2)CC1 ZINC001164801078 721599212 /nfs/dbraw/zinc/59/92/12/721599212.db2.gz NSRRKXIVSFWHBP-IHPCNDPISA-N 2 0 424.505 0.978 20 0 HCADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H](NC(=O)c4cnccn4)[C@@H]4COC[C@H]43)c2)CC1 ZINC001164801081 721599188 /nfs/dbraw/zinc/59/91/88/721599188.db2.gz NSRRKXIVSFWHBP-YSIASYRMSA-N 2 0 424.505 0.978 20 0 HCADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H](NC(=O)c4cnccn4)[C@H]4COC[C@H]43)c2)CC1 ZINC001164801083 721599290 /nfs/dbraw/zinc/59/92/90/721599290.db2.gz NSRRKXIVSFWHBP-YZGWKJHDSA-N 2 0 424.505 0.978 20 0 HCADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cncc(N3CC[NH2+]CC3)n1)CCC2 ZINC001164811927 720225986 /nfs/dbraw/zinc/22/59/86/720225986.db2.gz AUWRNHAALZEMRQ-UHFFFAOYSA-N 2 0 412.542 0.693 20 0 HCADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(N3CC[NH2+]CC3)nn1)CCC2 ZINC001164815290 720214285 /nfs/dbraw/zinc/21/42/85/720214285.db2.gz YIAFRWVZWXBNRZ-UHFFFAOYSA-N 2 0 412.542 0.693 20 0 HCADRP C[NH+]1CCC(Oc2ccnc(-n3nc(C(=O)N4CCOCC4)c4c3C[NH2+]C4)c2)CC1 ZINC001164816097 720249325 /nfs/dbraw/zinc/24/93/25/720249325.db2.gz GQAXTACVHPAYFD-UHFFFAOYSA-N 2 0 412.494 0.816 20 0 HCADRP O=C(c1nn(-c2cccc(OCC[NH+]3CCCC3)n2)c2c1C[NH2+]C2)N1CCOCC1 ZINC001164817432 720246715 /nfs/dbraw/zinc/24/67/15/720246715.db2.gz RGNTYYZEVGSDTD-UHFFFAOYSA-N 2 0 412.494 0.818 20 0 HCADRP C[N@@H+]1CCc2nc(Cl)nc(-n3nc(C(=O)N4CCOCC4)c4c3C[NH2+]C4)c2C1 ZINC001164817645 720249982 /nfs/dbraw/zinc/24/99/82/720249982.db2.gz RURULUJOKRAZNZ-UHFFFAOYSA-N 2 0 403.874 0.379 20 0 HCADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(N3CC[NH2+]CC3)nn2)CC1 ZINC001164826074 720301872 /nfs/dbraw/zinc/30/18/72/720301872.db2.gz VGFWWKOYAILCGE-MOPGFXCFSA-N 2 0 413.570 0.798 20 0 HCADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(N3CC[NH2+]CC3)nn2)CC1 ZINC001164826077 720302845 /nfs/dbraw/zinc/30/28/45/720302845.db2.gz VGFWWKOYAILCGE-OALUTQOASA-N 2 0 413.570 0.798 20 0 HCADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(N3CC[NH2+]CC3)nn2)CC1 ZINC001164826079 720302464 /nfs/dbraw/zinc/30/24/64/720302464.db2.gz VGFWWKOYAILCGE-RBUKOAKNSA-N 2 0 413.570 0.798 20 0 HCADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(N3CC[NH2+]CC3)nn2)CC1 ZINC001164826081 720303053 /nfs/dbraw/zinc/30/30/53/720303053.db2.gz VGFWWKOYAILCGE-RTBURBONSA-N 2 0 413.570 0.798 20 0 HCADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cncc(N3CC[NH2+]CC3)n2)CC1 ZINC001164833391 720321440 /nfs/dbraw/zinc/32/14/40/720321440.db2.gz WLEHIWPNKJAGMY-MOPGFXCFSA-N 2 0 413.570 0.798 20 0 HCADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cncc(N3CC[NH2+]CC3)n2)CC1 ZINC001164833392 720321527 /nfs/dbraw/zinc/32/15/27/720321527.db2.gz WLEHIWPNKJAGMY-OALUTQOASA-N 2 0 413.570 0.798 20 0 HCADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cncc(N3CC[NH2+]CC3)n2)CC1 ZINC001164833393 720321972 /nfs/dbraw/zinc/32/19/72/720321972.db2.gz WLEHIWPNKJAGMY-RBUKOAKNSA-N 2 0 413.570 0.798 20 0 HCADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cncc(N3CC[NH2+]CC3)n2)CC1 ZINC001164833394 720321822 /nfs/dbraw/zinc/32/18/22/720321822.db2.gz WLEHIWPNKJAGMY-RTBURBONSA-N 2 0 413.570 0.798 20 0 HCADRP C[C@H]1CCCN1C(=O)c1nn(-c2ccnc(N3CC[NH+](C)CC3)n2)c2c1C[NH2+]CC2 ZINC001164850680 720806160 /nfs/dbraw/zinc/80/61/60/720806160.db2.gz JUYLVSOTBIEESG-HNNXBMFYSA-N 2 0 410.526 0.684 20 0 HCADRP C[C@@H]1CCCN1C(=O)c1nn(-c2ccnc(N3CC[NH+](C)CC3)n2)c2c1C[NH2+]CC2 ZINC001164850684 720806143 /nfs/dbraw/zinc/80/61/43/720806143.db2.gz JUYLVSOTBIEESG-OAHLLOKOSA-N 2 0 410.526 0.684 20 0 HCADRP COCC[N@@H+]1CCO[C@H]2CN(c3ncccc3C(=O)N3CC[NH2+]CC3)CC[C@H]2C1 ZINC001164852053 720864128 /nfs/dbraw/zinc/86/41/28/720864128.db2.gz BYKVSTMEZXTCJF-HKUYNNGSSA-N 2 0 403.527 0.301 20 0 HCADRP COCC[N@@H+]1CCO[C@@H]2CN(c3ncccc3C(=O)N3CC[NH2+]CC3)CC[C@@H]2C1 ZINC001164852055 720864303 /nfs/dbraw/zinc/86/43/03/720864303.db2.gz BYKVSTMEZXTCJF-IEBWSBKVSA-N 2 0 403.527 0.301 20 0 HCADRP COCC[N@@H+]1CCO[C@H]2CN(c3ncccc3C(=O)N3CC[NH2+]CC3)CC[C@@H]2C1 ZINC001164852056 720864480 /nfs/dbraw/zinc/86/44/80/720864480.db2.gz BYKVSTMEZXTCJF-MJGOQNOKSA-N 2 0 403.527 0.301 20 0 HCADRP COCC[N@@H+]1CCO[C@@H]2CN(c3ncccc3C(=O)N3CC[NH2+]CC3)CC[C@H]2C1 ZINC001164852058 720864320 /nfs/dbraw/zinc/86/43/20/720864320.db2.gz BYKVSTMEZXTCJF-PKOBYXMFSA-N 2 0 403.527 0.301 20 0 HCADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(Cl)nc4c3CC[NH2+]C4)CC2)C1 ZINC001164868568 721265621 /nfs/dbraw/zinc/26/56/21/721265621.db2.gz CMMQQIBVKPESJB-UHFFFAOYSA-N 2 0 422.961 0.783 20 0 HCADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(Cl)nc4c3C[NH2+]CC4)CC2)C1 ZINC001164873095 721261128 /nfs/dbraw/zinc/26/11/28/721261128.db2.gz GKNFXCOGFIIADF-UHFFFAOYSA-N 2 0 422.961 0.783 20 0 HCADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc(N4CC[NH2+]CC4)cn3)CC2)C1 ZINC001164873335 721280006 /nfs/dbraw/zinc/28/00/06/721280006.db2.gz LJFWNCODWSJFTO-UHFFFAOYSA-N 2 0 416.570 0.498 20 0 HCADRP Cc1cnc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc1C1C[NH2+]C1 ZINC001164873792 721294306 /nfs/dbraw/zinc/29/43/06/721294306.db2.gz AMIUWRZYDDESBK-UHFFFAOYSA-N 2 0 402.543 0.479 20 0 HCADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cccc(N4CCOCC4)[nH+]3)CC2)C1 ZINC001164874423 721280139 /nfs/dbraw/zinc/28/01/39/721280139.db2.gz RLGNOMKEZIZAQX-UHFFFAOYSA-N 2 0 417.554 0.925 20 0 HCADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nccc(C4CC[NH2+]CC4)n3)CC2)C1 ZINC001164875331 721280166 /nfs/dbraw/zinc/28/01/66/721280166.db2.gz VIWNOUSZTZWEJD-UHFFFAOYSA-N 2 0 416.570 0.951 20 0 HCADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncnc4c3CC[NH2+]CC4)CC2)C1 ZINC001164877331 721261097 /nfs/dbraw/zinc/26/10/97/721261097.db2.gz QVECTLRSPLMJKK-UHFFFAOYSA-N 2 0 402.543 0.172 20 0 HCADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(N5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164884447 721392749 /nfs/dbraw/zinc/39/27/49/721392749.db2.gz BAKIDBRULSTUKC-DENIHFKCSA-N 2 0 415.586 0.652 20 0 HCADRP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(N5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164884448 721392553 /nfs/dbraw/zinc/39/25/53/721392553.db2.gz BAKIDBRULSTUKC-KNQAVFIVSA-N 2 0 415.586 0.652 20 0 HCADRP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(N5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164884449 721392858 /nfs/dbraw/zinc/39/28/58/721392858.db2.gz BAKIDBRULSTUKC-SIKLNZKXSA-N 2 0 415.586 0.652 20 0 HCADRP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(N5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164884450 721392810 /nfs/dbraw/zinc/39/28/10/721392810.db2.gz BAKIDBRULSTUKC-UGKGYDQZSA-N 2 0 415.586 0.652 20 0 HCADRP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncnc5c4CC[NH2+]CC5)C3)O2)CC1 ZINC001164885011 721382076 /nfs/dbraw/zinc/38/20/76/721382076.db2.gz BNRZCTWQXFTCLE-AVRDEDQJSA-N 2 0 400.571 0.930 20 0 HCADRP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncnc5c4CC[NH2+]CC5)C3)O2)CC1 ZINC001164885012 721381884 /nfs/dbraw/zinc/38/18/84/721381884.db2.gz BNRZCTWQXFTCLE-GCJKJVERSA-N 2 0 400.571 0.930 20 0 HCADRP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5c4CC[NH2+]CC5)C3)O2)CC1 ZINC001164885013 721381592 /nfs/dbraw/zinc/38/15/92/721381592.db2.gz BNRZCTWQXFTCLE-PGRDOPGGSA-N 2 0 400.571 0.930 20 0 HCADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncnc5c4CC[NH2+]CC5)C3)O2)CC1 ZINC001164885014 721381630 /nfs/dbraw/zinc/38/16/30/721381630.db2.gz BNRZCTWQXFTCLE-XMSQKQJNSA-N 2 0 400.571 0.930 20 0 HCADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cncc(N5CC[NH2+]CC5)n4)C3)O2)CC1 ZINC001164890604 721416040 /nfs/dbraw/zinc/41/60/40/721416040.db2.gz UDOYSOLWGKBZGM-DENIHFKCSA-N 2 0 415.586 0.652 20 0 HCADRP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cncc(N5CC[NH2+]CC5)n4)C3)O2)CC1 ZINC001164890608 721416551 /nfs/dbraw/zinc/41/65/51/721416551.db2.gz UDOYSOLWGKBZGM-KNQAVFIVSA-N 2 0 415.586 0.652 20 0 HCADRP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cncc(N5CC[NH2+]CC5)n4)C3)O2)CC1 ZINC001164890612 721416705 /nfs/dbraw/zinc/41/67/05/721416705.db2.gz UDOYSOLWGKBZGM-SIKLNZKXSA-N 2 0 415.586 0.652 20 0 HCADRP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cncc(N5CC[NH2+]CC5)n4)C3)O2)CC1 ZINC001164890615 721416712 /nfs/dbraw/zinc/41/67/12/721416712.db2.gz UDOYSOLWGKBZGM-UGKGYDQZSA-N 2 0 415.586 0.652 20 0 HCADRP C[NH+](C)CCOCc1ncn2c1CN(c1ccc(N3CC[NH+](C)CC3)nn1)CCC2 ZINC001164999534 722250866 /nfs/dbraw/zinc/25/08/66/722250866.db2.gz AKQHCDRJZGYQSA-UHFFFAOYSA-N 2 0 414.558 0.913 20 0 HCADRP C[NH+](C)CCOCc1ncn2c1CN(c1cncc(N3CC[NH2+]CC3)n1)CCC2 ZINC001165002852 722254030 /nfs/dbraw/zinc/25/40/30/722254030.db2.gz UMIIBVCGILKZHA-UHFFFAOYSA-N 2 0 400.531 0.571 20 0 HCADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(N3CC[NH+](C)CC3)nn2)CC1 ZINC001165007478 721730917 /nfs/dbraw/zinc/73/09/17/721730917.db2.gz DTIHNAMEYQNDJN-UHFFFAOYSA-N 2 0 401.559 0.751 20 0 HCADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncccc2C(=O)N2CC[NH2+]CC2)CC1 ZINC001165011079 721740956 /nfs/dbraw/zinc/74/09/56/721740956.db2.gz UFIHMGCRPZODPV-UHFFFAOYSA-N 2 0 414.554 0.650 20 0 HCADRP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1NC(=[NH2+])N1CCN(C)CC1 ZINC001168735241 1081362858 /nfs/dbraw/zinc/36/28/58/1081362858.db2.gz KLIRGQYXHIENPA-HNNXBMFYSA-N 2 0 406.531 0.781 20 0 HCADRP COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1NC(=[NH2+])N1CCN(C)CC1 ZINC001168735243 1081362570 /nfs/dbraw/zinc/36/25/70/1081362570.db2.gz KLIRGQYXHIENPA-OAHLLOKOSA-N 2 0 406.531 0.781 20 0 HCADRP CC(C)C[C@H](NC(=O)CNC(=O)C[NH3+])c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001212298911 1078814642 /nfs/dbraw/zinc/81/46/42/1078814642.db2.gz ZWVYFYDSAYGFEP-HNNXBMFYSA-N 2 0 401.471 0.056 20 0 HCADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccc(I)cc1 ZINC001236308941 1079252741 /nfs/dbraw/zinc/25/27/41/1079252741.db2.gz JQYFTLXEMRQPIX-UHFFFAOYSA-N 2 0 404.296 0.907 20 0 HCADRP Cn1ncc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1Br ZINC001670881267 1078034951 /nfs/dbraw/zinc/03/49/51/1078034951.db2.gz DYZLIFSFWKNTTA-VXGBXAGGSA-N 2 0 408.366 0.543 20 0 HCADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccccc2Cn2cncn2)C[C@H]1C[NH+](C)C ZINC001670881428 1078034867 /nfs/dbraw/zinc/03/48/67/1078034867.db2.gz JRWIVCOGMAJYQN-QZTJIDSGSA-N 2 0 406.556 0.686 20 0 HCADRP COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001670881566 1078035118 /nfs/dbraw/zinc/03/51/18/1078035118.db2.gz NOSVJSMJNYHMOM-CHWSQXEVSA-N 2 0 418.947 0.882 20 0 HCADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)C[C@H]1C[NH+](C)C ZINC001670881678 1078034892 /nfs/dbraw/zinc/03/48/92/1078034892.db2.gz RAUPBFBMLARFNJ-ZACQAIPSSA-N 2 0 418.604 0.709 20 0 HCADRP COc1cc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)ccc1OCC[NH+](C)C ZINC001671018497 1080077390 /nfs/dbraw/zinc/07/73/90/1080077390.db2.gz RMVXQFNGBHWIGD-LAUBAEHRSA-N 2 0 422.526 0.983 20 0 HCADRP