smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)C1CC[NH+](C2CCN(c3nc[nH]c4nc(=S)sc3-4)CC2)CC1 ZINC001164616356 719030823 /nfs/dbraw/zinc/03/08/23/719030823.db2.gz BSQISMSJHGVMCF-UHFFFAOYSA-N 1 1 407.565 2.619 20 0 HFADMO CS(=O)(=O)c1nc(Cl)cc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164626948 719052128 /nfs/dbraw/zinc/05/21/28/719052128.db2.gz SJYVWJFCLPDACA-CVEARBPZSA-N 1 1 406.939 2.634 20 0 HFADMO COC(=O)c1ccc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1C(=O)OC ZINC001164629564 719060536 /nfs/dbraw/zinc/06/05/36/719060536.db2.gz XWGUKOUMTZXRDB-MJGOQNOKSA-N 1 1 409.486 2.756 20 0 HFADMO COC(=O)Cc1c(Cl)ncnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624292 719070665 /nfs/dbraw/zinc/07/06/65/719070665.db2.gz KVUHNVYEPOCLHI-WMZOPIPTSA-N 1 1 400.910 2.946 20 0 HFADMO COC(=O)Cc1c(Cl)ncnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624286 719070709 /nfs/dbraw/zinc/07/07/09/719070709.db2.gz KVUHNVYEPOCLHI-AEFFLSMTSA-N 1 1 400.910 2.946 20 0 HFADMO CCc1cc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc(N2CCOCC2)n1 ZINC001164627352 719088105 /nfs/dbraw/zinc/08/81/05/719088105.db2.gz JWMYVLMFORBUAT-RBBKRZOGSA-N 1 1 407.562 2.976 20 0 HFADMO C[C@@H]1C[N@H+](C)[C@H](C)CN1[C@]1(F)CN(C2CCCC2)c2nc(Cl)ncc2N(C)C1=O ZINC001164642543 719230391 /nfs/dbraw/zinc/23/03/91/719230391.db2.gz WMPWERBEDPODFH-ARGWCVDVSA-N 1 1 424.952 2.546 20 0 HFADMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1[C@]1(F)CN(C2CCCC2)c2nc(Cl)ncc2N(C)C1=O ZINC001164642543 719230394 /nfs/dbraw/zinc/23/03/94/719230394.db2.gz WMPWERBEDPODFH-ARGWCVDVSA-N 1 1 424.952 2.546 20 0 HFADMO CON(C)C(=O)c1cc(Cl)nc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c1 ZINC001164650518 719311876 /nfs/dbraw/zinc/31/18/76/719311876.db2.gz YWVNHKKVXZJXPP-UHFFFAOYSA-N 1 1 420.945 2.770 20 0 HFADMO Cc1nc2c(nc(Cl)nc2N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)n1C ZINC001164650891 719314592 /nfs/dbraw/zinc/31/45/92/719314592.db2.gz GAYGFLBUAGTISG-UHFFFAOYSA-N 1 1 402.934 2.727 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](OCC(=O)NC)CO3)CC2)nc1 ZINC001164678103 719555579 /nfs/dbraw/zinc/55/55/79/719555579.db2.gz VNZRXOFPGVGDHF-WOJBJXKFSA-N 1 1 416.566 2.519 20 0 HFADMO CN(C)Cc1ccnc(N([C@@H]2CCC23CC[NH2+]CC3)S(=O)(=O)c2ccccc2)c1 ZINC001164682655 719592676 /nfs/dbraw/zinc/59/26/76/719592676.db2.gz DHNXOLGDDSHUBC-HXUWFJFHSA-N 1 1 414.575 2.871 20 0 HFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCCN(c4ncccn4)[C@@H]3C2)nc1 ZINC001164692421 719801513 /nfs/dbraw/zinc/80/15/13/719801513.db2.gz OHKDXAITPLZRTE-NJDAHSKKSA-N 1 1 408.550 2.903 20 0 HFADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)c2ccccc21 ZINC001164697273 719843427 /nfs/dbraw/zinc/84/34/27/719843427.db2.gz CGIWACMEJQNBGM-VBKZILBWSA-N 1 1 404.898 2.516 20 0 HFADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc2cc(Cl)ncc21 ZINC001164705265 719849023 /nfs/dbraw/zinc/84/90/23/719849023.db2.gz ULPMQYDYIPDFOP-YWZLYKJASA-N 1 1 404.898 2.516 20 0 HFADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2cccc(C)c21 ZINC001164705985 719862570 /nfs/dbraw/zinc/86/25/70/719862570.db2.gz VUNQCDYBQMRCNB-BTYIYWSLSA-N 1 1 418.925 2.824 20 0 HFADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2ccc(C(C)C)cc21 ZINC001164705061 719869178 /nfs/dbraw/zinc/86/91/78/719869178.db2.gz NHJXUDSGTPHNGY-FDDCHVKYSA-N 1 1 412.534 2.986 20 0 HFADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc2cc(OC)c(F)cc21 ZINC001164706097 719877625 /nfs/dbraw/zinc/87/76/25/719877625.db2.gz OTGUGDWATLSZDL-AOMKIAJQSA-N 1 1 417.481 2.615 20 0 HFADMO COC(=O)c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1OC ZINC001164695256 719887804 /nfs/dbraw/zinc/88/78/04/719887804.db2.gz KCKOKLRCCAXLFS-UHFFFAOYSA-N 1 1 417.531 2.810 20 0 HFADMO CC(C)c1nc(N(C)C)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164698364 719894682 /nfs/dbraw/zinc/89/46/82/719894682.db2.gz SAOWLQTYGFMBAP-UHFFFAOYSA-N 1 1 416.595 2.994 20 0 HFADMO CC(C)c1nc(N(C)C)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164698364 719894683 /nfs/dbraw/zinc/89/46/83/719894683.db2.gz SAOWLQTYGFMBAP-UHFFFAOYSA-N 1 1 416.595 2.994 20 0 HFADMO CCOC(=O)c1cnc(SC)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001164807868 720069898 /nfs/dbraw/zinc/06/98/98/720069898.db2.gz GFJUJJNRMUDSKK-IERDGZPVSA-N 1 1 420.579 2.560 20 0 HFADMO CCOC(=O)c1cnc(SC)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001164807869 720070597 /nfs/dbraw/zinc/07/05/97/720070597.db2.gz GFJUJJNRMUDSKK-IIBYNOLFSA-N 1 1 420.579 2.560 20 0 HFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3ncccc31)CC2 ZINC001164710660 720100813 /nfs/dbraw/zinc/10/08/13/720100813.db2.gz KOVHECHGTXSQBX-IBGZPJMESA-N 1 1 404.518 2.927 20 0 HFADMO CCOC(=O)c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)cc1OCC ZINC001164813925 720111651 /nfs/dbraw/zinc/11/16/51/720111651.db2.gz RRNXKOGYRBODPO-JPYJTQIMSA-N 1 1 417.550 2.842 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(C(=O)NC(C)(C)C)cn1)C2 ZINC001164810043 720117225 /nfs/dbraw/zinc/11/72/25/720117225.db2.gz JIHCVVRZMUAMKH-AUSIDOKSSA-N 1 1 400.567 2.795 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc(C(=O)OC(C)(C)C)n1)C2 ZINC001164809666 720129320 /nfs/dbraw/zinc/12/93/20/720129320.db2.gz HVSIOSIXBQSDDD-JTSKRJEESA-N 1 1 402.539 2.617 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)nc1OC)C2 ZINC001164819729 720155197 /nfs/dbraw/zinc/15/51/97/720155197.db2.gz XXDQHMCEZXGRSG-KSSFIOAISA-N 1 1 416.900 2.868 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)Oc1cnc(Cl)cn1)C2 ZINC001164815170 720202403 /nfs/dbraw/zinc/20/24/03/720202403.db2.gz WRMAGLFYJKPHGJ-YOEHRIQHSA-N 1 1 402.873 2.739 20 0 HFADMO CC(C)n1ccc2c1ncnc2N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164812875 720233282 /nfs/dbraw/zinc/23/32/82/720233282.db2.gz JPCHXZVBUCNDEK-UHFFFAOYSA-N 1 1 409.538 2.819 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4c(Cl)cccc4n3)C2)C1 ZINC001164719993 720246501 /nfs/dbraw/zinc/24/65/01/720246501.db2.gz QEDWCGLWSNTBFT-NRFANRHFSA-N 1 1 402.926 2.553 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4c(Cl)cccc4n3)C2)C1 ZINC001164719993 720246505 /nfs/dbraw/zinc/24/65/05/720246505.db2.gz QEDWCGLWSNTBFT-NRFANRHFSA-N 1 1 402.926 2.553 20 0 HFADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCCn3nnc(Cn4ccnc4)c3C2)nc1 ZINC001164830553 720399010 /nfs/dbraw/zinc/39/90/10/720399010.db2.gz SCQHUWQMVCTFRN-FQEVSTJZSA-N 1 1 406.538 2.875 20 0 HFADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)[nH]1 ZINC001164724729 720404210 /nfs/dbraw/zinc/40/42/10/720404210.db2.gz LHAHQPMARHJKAL-JKSUJKDBSA-N 1 1 412.881 2.646 20 0 HFADMO COc1nc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc(N2CCCCCC2)n1 ZINC001164734456 720432958 /nfs/dbraw/zinc/43/29/58/720432958.db2.gz SFKNZKBPEWOWHZ-MOPGFXCFSA-N 1 1 409.538 2.509 20 0 HFADMO CN(C)c1cc(C(F)(F)N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc(Cl)n1 ZINC001164726349 720474306 /nfs/dbraw/zinc/47/43/06/720474306.db2.gz LJSHZHSTWBNFLJ-HUUCEWRRSA-N 1 1 408.884 2.989 20 0 HFADMO CN(C)c1cc(C(F)(F)N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc(Cl)n1 ZINC001164726349 720474309 /nfs/dbraw/zinc/47/43/09/720474309.db2.gz LJSHZHSTWBNFLJ-HUUCEWRRSA-N 1 1 408.884 2.989 20 0 HFADMO CCCNC(=O)c1cc(Cl)nc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164728327 720486605 /nfs/dbraw/zinc/48/66/05/720486605.db2.gz PEMZCQSWGRRSAO-IRXDYDNUSA-N 1 1 400.914 2.518 20 0 HFADMO Cc1cc(N2CCCC2)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164840662 720504760 /nfs/dbraw/zinc/50/47/60/720504760.db2.gz XESCOAQDZAFRQD-PCCBWWKXSA-N 1 1 409.582 2.960 20 0 HFADMO Cc1cc(N2CCCC2)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164840662 720504764 /nfs/dbraw/zinc/50/47/64/720504764.db2.gz XESCOAQDZAFRQD-PCCBWWKXSA-N 1 1 409.582 2.960 20 0 HFADMO COc1cnc(SC)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164839463 720512775 /nfs/dbraw/zinc/51/27/75/720512775.db2.gz UUSPIDWHZWCDJR-GVDBMIGSSA-N 1 1 402.568 2.781 20 0 HFADMO CCOC(=O)c1cc(F)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164834949 720518096 /nfs/dbraw/zinc/51/80/96/720518096.db2.gz IQEVTEOWVWKUGZ-ILZDJORESA-N 1 1 415.513 2.972 20 0 HFADMO CCOC(=O)Cc1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164835713 720518147 /nfs/dbraw/zinc/51/81/47/720518147.db2.gz KGHUFSNPYNKZND-PWRODBHTSA-N 1 1 411.550 2.762 20 0 HFADMO CCOC(=O)Cc1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164835714 720518299 /nfs/dbraw/zinc/51/82/99/720518299.db2.gz KGHUFSNPYNKZND-QHAWAJNXSA-N 1 1 411.550 2.762 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3ncn4C)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836401 720531287 /nfs/dbraw/zinc/53/12/87/720531287.db2.gz JYHTYSYNXCLFSS-OWCLPIDISA-N 1 1 414.945 2.591 20 0 HFADMO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1C ZINC001164837351 720537084 /nfs/dbraw/zinc/53/70/84/720537084.db2.gz LXMLYASQDYVPIX-CMKODMSKSA-N 1 1 412.538 2.536 20 0 HFADMO Cc1cn(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)cn1 ZINC001164837415 720572159 /nfs/dbraw/zinc/57/21/59/720572159.db2.gz MMGWBQPUGSGXSV-HSALFYBXSA-N 1 1 406.538 2.545 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4c3ncn4C3CC3)CC[C@@H]21 ZINC001164841505 720612283 /nfs/dbraw/zinc/61/22/83/720612283.db2.gz SLFWPBNIWCNRHZ-NEWSRXKRSA-N 1 1 406.538 2.736 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN([C@@H](F)Oc3cncc(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837722 720635993 /nfs/dbraw/zinc/63/59/93/720635993.db2.gz IPRUYNIWJNCFGT-YYAJDYIMSA-N 1 1 408.909 2.832 20 0 HFADMO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncccc1S(C)(=O)=O)CC2 ZINC001164844558 720678424 /nfs/dbraw/zinc/67/84/24/720678424.db2.gz UFRQMUNBLVONSH-IBGZPJMESA-N 1 1 415.559 2.745 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncccc1S(C)(=O)=O)CC2 ZINC001164844558 720678436 /nfs/dbraw/zinc/67/84/36/720678436.db2.gz UFRQMUNBLVONSH-IBGZPJMESA-N 1 1 415.559 2.745 20 0 HFADMO CSc1nc2ccsc2c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164738458 720684603 /nfs/dbraw/zinc/68/46/03/720684603.db2.gz JVDZUPPROAUPRS-STQMWFEESA-N 1 1 400.533 2.545 20 0 HFADMO Clc1cccc(-c2cccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)n1 ZINC001164739248 720699823 /nfs/dbraw/zinc/69/98/23/720699823.db2.gz MKVKIPGOSWDGLT-CVEARBPZSA-N 1 1 408.893 2.929 20 0 HFADMO COCCOc1ccc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nn1 ZINC001164842363 720715516 /nfs/dbraw/zinc/71/55/16/720715516.db2.gz YSWDSEMNTLYMHH-FQEVSTJZSA-N 1 1 412.534 2.762 20 0 HFADMO Cc1nc2c3ccccc3oc2c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164739495 720725958 /nfs/dbraw/zinc/72/59/58/720725958.db2.gz IYABVENGAJURBR-JKSUJKDBSA-N 1 1 402.458 2.816 20 0 HFADMO Clc1cc(Cc2ccccc2)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164743492 720738541 /nfs/dbraw/zinc/73/85/41/720738541.db2.gz QMQGGYAPOSSDTC-OALUTQOASA-N 1 1 422.920 2.853 20 0 HFADMO Fc1cc2ncnc(Cl)c2c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164744912 720744970 /nfs/dbraw/zinc/74/49/70/720744970.db2.gz TUVYUCLMGUXSAD-KGLIPLIRSA-N 1 1 400.845 2.554 20 0 HFADMO CC(C)n1ccc2c1nc(Cl)nc2N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741482 720749130 /nfs/dbraw/zinc/74/91/30/720749130.db2.gz MRVWXMIDTUCESH-GJZGRUSLSA-N 1 1 413.913 2.798 20 0 HFADMO CCc1nc2sc3c(c2c(N2CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C2)n1)CCC3 ZINC001164741126 720757426 /nfs/dbraw/zinc/75/74/26/720757426.db2.gz MIMZQBIWHCKFLQ-CABCVRRESA-N 1 1 422.558 2.874 20 0 HFADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744078 720758469 /nfs/dbraw/zinc/75/84/69/720758469.db2.gz RDSNKIVVDWITIX-GJZGRUSLSA-N 1 1 402.930 2.868 20 0 HFADMO CCN(c1ccccc1)c1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ncn1 ZINC001164744077 720793020 /nfs/dbraw/zinc/79/30/20/720793020.db2.gz HIKJGEZFPXKXDB-UXHICEINSA-N 1 1 417.517 2.767 20 0 HFADMO Fc1ccc2nc(C(F)F)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164744222 720800011 /nfs/dbraw/zinc/80/00/11/720800011.db2.gz IBYDIQUZSRVCIW-KBPBESRZSA-N 1 1 416.407 2.838 20 0 HFADMO Clc1nc(Cl)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(C2CC2)n1 ZINC001164746632 720803727 /nfs/dbraw/zinc/80/37/27/720803727.db2.gz MCXCKNPPTUQEGB-QWHCGFSZSA-N 1 1 407.305 2.793 20 0 HFADMO Cc1csc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164744899 720810087 /nfs/dbraw/zinc/81/00/87/720810087.db2.gz JLIZYSPLFWUCOR-OKZBNKHCSA-N 1 1 409.563 2.971 20 0 HFADMO COc1cc(Cl)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748336 720815171 /nfs/dbraw/zinc/81/51/71/720815171.db2.gz QTDMQZUQPYXKSQ-KBAYOESNSA-N 1 1 402.930 2.715 20 0 HFADMO Clc1nc2cccnc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164744019 720818694 /nfs/dbraw/zinc/81/86/94/720818694.db2.gz TYFWMUVZYXNPOY-XYJFISCASA-N 1 1 424.940 2.649 20 0 HFADMO CCOC(=O)c1cc(C)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737998 720828894 /nfs/dbraw/zinc/82/88/94/720828894.db2.gz DFOHKTPZCQTQJI-IRFCIJBXSA-N 1 1 424.549 2.538 20 0 HFADMO Cc1nc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1C ZINC001164737432 720829690 /nfs/dbraw/zinc/82/96/90/720829690.db2.gz BCCCVJVGIVHEMB-OKZBNKHCSA-N 1 1 401.946 2.718 20 0 HFADMO Cc1ccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ncc2c1 ZINC001164742130 720831631 /nfs/dbraw/zinc/83/16/31/720831631.db2.gz PYSHHNPGUMOCCQ-KCZVDYSFSA-N 1 1 403.534 2.909 20 0 HFADMO Fc1cccc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164749411 720832711 /nfs/dbraw/zinc/83/27/11/720832711.db2.gz VTQLIFZSEYGIGP-SQGPQFPESA-N 1 1 407.497 2.740 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)n3)CC[C@@H]2C1 ZINC001164855902 720834563 /nfs/dbraw/zinc/83/45/63/720834563.db2.gz VKCHKIOOPGFWRD-VXGBXAGGSA-N 1 1 411.280 2.502 20 0 HFADMO FC(F)(c1cncc(Cl)n1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748727 720840938 /nfs/dbraw/zinc/84/09/38/720840938.db2.gz URZHLFODMGZQKB-BZUAXINKSA-N 1 1 423.899 2.646 20 0 HFADMO Clc1ccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH]c2n1 ZINC001164750322 720841636 /nfs/dbraw/zinc/84/16/36/720841636.db2.gz XGGMRIXAPQBMKO-BFYDXBDKSA-N 1 1 412.929 2.582 20 0 HFADMO CSc1cnc(Cl)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164740434 720843935 /nfs/dbraw/zinc/84/39/35/720843935.db2.gz BSKJUYXIIKQNOE-BZUAXINKSA-N 1 1 419.986 2.823 20 0 HFADMO COc1cccc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c21 ZINC001164744753 720848904 /nfs/dbraw/zinc/84/89/04/720848904.db2.gz LPBXQASSUNIXSI-WSTZPKSXSA-N 1 1 419.533 2.609 20 0 HFADMO c1ncn(C[C@@H]2C[C@H]3CN(c4cc(-c5ccncc5)ncn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164741911 720849530 /nfs/dbraw/zinc/84/95/30/720849530.db2.gz FWGFYEDTPGGAAL-JAXLGGSGSA-N 1 1 416.533 2.510 20 0 HFADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4cc(-c5ccncc5)ncn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164741917 720849788 /nfs/dbraw/zinc/84/97/88/720849788.db2.gz FWGFYEDTPGGAAL-RZUBCFFCSA-N 1 1 416.533 2.510 20 0 HFADMO CC(C)Sc1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1 ZINC001164748797 720853055 /nfs/dbraw/zinc/85/30/55/720853055.db2.gz MDZRHMUADWFLFB-CEXWTWQISA-N 1 1 413.595 2.948 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)ncc3-c3ccccc3)CC[C@H]2C1 ZINC001164852645 720856661 /nfs/dbraw/zinc/85/66/61/720856661.db2.gz FCBWIGUMDIURIN-PKOBYXMFSA-N 1 1 402.926 2.971 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3ncnc4c3ccn4Cc3ccccc3)CC[C@H]2C1 ZINC001164858211 720860419 /nfs/dbraw/zinc/86/04/19/720860419.db2.gz RQBOFLPMKHNEAQ-UNMCSNQZSA-N 1 1 421.545 2.653 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)CC[C@H]2C1 ZINC001164859497 720869820 /nfs/dbraw/zinc/86/98/20/720869820.db2.gz UDRGOAXXCBEGIJ-GJZGRUSLSA-N 1 1 414.884 2.935 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3ccn4C(C)C)CC[C@H]2C1 ZINC001164856038 720870943 /nfs/dbraw/zinc/87/09/43/720870943.db2.gz NXRHLGRVVKKTCL-DOTOQJQBSA-N 1 1 407.946 2.839 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3ncccc3OCc3ccc(F)cc3)CC[C@@H]2C1 ZINC001164864697 720881171 /nfs/dbraw/zinc/88/11/71/720881171.db2.gz WNCUVWTYNKNWBV-KNQAVFIVSA-N 1 1 415.509 2.973 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3ccnc(CSc4ccccc4)n3)CC[C@@H]2C1 ZINC001164864645 720888222 /nfs/dbraw/zinc/88/82/22/720888222.db2.gz WGEAMJDGYMVMFL-QUCCMNQESA-N 1 1 414.575 2.942 20 0 HFADMO CCOC(=O)c1cnc(Cl)nc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164855010 720923223 /nfs/dbraw/zinc/92/32/23/720923223.db2.gz HCSJHZNTBUNADL-CYBMUJFWSA-N 1 1 406.918 2.925 20 0 HFADMO COc1ccc(C(F)(F)N2CCc3[nH+]cc(Cn4cccn4)n3CC2)nc1Cl ZINC001164861513 721032651 /nfs/dbraw/zinc/03/26/51/721032651.db2.gz IGQJPSWLJNZDPC-UHFFFAOYSA-N 1 1 408.840 2.793 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H]2CCN3C(=O)c2cnn(C)c2)nc1 ZINC001164762223 721039380 /nfs/dbraw/zinc/03/93/80/721039380.db2.gz GWUSDTSVPMKZDD-NJDAHSKKSA-N 1 1 408.550 2.855 20 0 HFADMO Clc1nc2c(c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n1)CSCC2 ZINC001164866309 721056877 /nfs/dbraw/zinc/05/68/77/721056877.db2.gz DVIBEAZVDBTLFF-CVEARBPZSA-N 1 1 417.966 2.794 20 0 HFADMO COc1cc2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2cc1OC ZINC001164865872 721061356 /nfs/dbraw/zinc/06/13/56/721061356.db2.gz BCWTZVORSFUOQS-QZTJIDSGSA-N 1 1 421.501 2.522 20 0 HFADMO Cc1cc(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(Cl)n1 ZINC001164871411 721072179 /nfs/dbraw/zinc/07/21/79/721072179.db2.gz YQDXSPJGZGJMKL-HOTGVXAUSA-N 1 1 409.868 2.858 20 0 HFADMO Clc1nc2ncsc2c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164863318 721091856 /nfs/dbraw/zinc/09/18/56/721091856.db2.gz BSJSVANCWANCPH-UONOGXRCSA-N 1 1 402.911 2.614 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccnc(NC(=O)OC(C)(C)C)n4)C[C@H]3C2)cn1 ZINC001164765724 721107430 /nfs/dbraw/zinc/10/74/30/721107430.db2.gz KHKLVUUUCMAVOH-DLBZAZTESA-N 1 1 413.526 2.515 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc(-c5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164765651 721108767 /nfs/dbraw/zinc/10/87/67/721108767.db2.gz JYNIDVQMRGTITF-MSOLQXFVSA-N 1 1 409.925 2.884 20 0 HFADMO CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1C ZINC001164771346 721127564 /nfs/dbraw/zinc/12/75/64/721127564.db2.gz SGQVHTKMCLSLEA-DLBZAZTESA-N 1 1 417.941 2.912 20 0 HFADMO CCOC(=O)c1cnc2cc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)[nH]cc1-2 ZINC001164881198 721135289 /nfs/dbraw/zinc/13/52/89/721135289.db2.gz ZRHPQBHNGZBFIN-ZWKOTPCHSA-N 1 1 421.501 2.614 20 0 HFADMO COc1cccc(Oc2cncc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)n2)c1 ZINC001164765082 721170640 /nfs/dbraw/zinc/17/06/40/721170640.db2.gz HRIWUMAQJDNHTM-MOPGFXCFSA-N 1 1 420.517 2.969 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)nc(=S)[nH]4)C[C@@H]3C2)cn1 ZINC001164766013 721177972 /nfs/dbraw/zinc/17/79/72/721177972.db2.gz IUKGPASBKWWIQU-STQMWFEESA-N 1 1 414.913 2.655 20 0 HFADMO CC1CCN(C(=O)c2cccnc2N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)CC1 ZINC001164762017 721197921 /nfs/dbraw/zinc/19/79/21/721197921.db2.gz BWGUPPDVXOLJRH-SFTDATJTSA-N 1 1 422.577 2.646 20 0 HFADMO COc1cc2nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)ccc2c(OC)c1 ZINC001164768093 721235901 /nfs/dbraw/zinc/23/59/01/721235901.db2.gz XVZICBHFMKWMEA-ZWKOTPCHSA-N 1 1 407.518 2.944 20 0 HFADMO Cc1nc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)c(Cl)cc1Cl ZINC001164875555 721281635 /nfs/dbraw/zinc/28/16/35/721281635.db2.gz XAPYQTZXVQEZDH-UHFFFAOYSA-N 1 1 415.365 2.704 20 0 HFADMO CS(=O)(=O)c1ccc(Oc2ccnc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)n2)cc1 ZINC001164768836 721295567 /nfs/dbraw/zinc/29/55/67/721295567.db2.gz HUGSLQLITVEZCI-UHFFFAOYSA-N 1 1 414.531 2.595 20 0 HFADMO c1ccc(N2CCN(c3cc(N4CC5(C4)CC[N@H+](CC4CC4)C5)ncn3)CC2)cc1 ZINC001164775466 721300768 /nfs/dbraw/zinc/30/07/68/721300768.db2.gz XHQPNWBJUQUEKW-UHFFFAOYSA-N 1 1 404.562 2.725 20 0 HFADMO Cc1cccc(N(c2cccc(N3CCN(C)CC3)n2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164778009 721329507 /nfs/dbraw/zinc/32/95/07/721329507.db2.gz SNYORAPQTGBRCQ-URXFXBBRSA-N 1 1 407.562 2.801 20 0 HFADMO COC(=O)c1cccc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164777418 721334036 /nfs/dbraw/zinc/33/40/36/721334036.db2.gz NBBINTIESAFVCT-QFIPXVFZSA-N 1 1 414.506 2.592 20 0 HFADMO COC(=O)c1cccc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164777418 721334039 /nfs/dbraw/zinc/33/40/39/721334039.db2.gz NBBINTIESAFVCT-QFIPXVFZSA-N 1 1 414.506 2.592 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4ncccc43)C2)C1 ZINC001164777632 721338675 /nfs/dbraw/zinc/33/86/75/721338675.db2.gz OWBMMSXBOZFVLB-JOCHJYFZSA-N 1 1 408.506 2.749 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nnc4ccccc4n3)C2)C1 ZINC001164779953 721368521 /nfs/dbraw/zinc/36/85/21/721368521.db2.gz BGZFDNKXBZTHOB-QFIPXVFZSA-N 1 1 408.506 2.749 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nnc4ccccc4n3)C2)C1 ZINC001164779953 721368523 /nfs/dbraw/zinc/36/85/23/721368523.db2.gz BGZFDNKXBZTHOB-QFIPXVFZSA-N 1 1 408.506 2.749 20 0 HFADMO CCOc1nccnc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164781629 721370716 /nfs/dbraw/zinc/37/07/16/721370716.db2.gz KCPHHIOVYBLTHP-OAQYLSRUSA-N 1 1 401.511 2.599 20 0 HFADMO CCOc1nccnc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164781629 721370720 /nfs/dbraw/zinc/37/07/20/721370720.db2.gz KCPHHIOVYBLTHP-OAQYLSRUSA-N 1 1 401.511 2.599 20 0 HFADMO COc1nc(C)nc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1C ZINC001164784592 721372984 /nfs/dbraw/zinc/37/29/84/721372984.db2.gz QNMPGJQULRGYPA-QFIPXVFZSA-N 1 1 415.538 2.826 20 0 HFADMO COc1nc(C)nc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1C ZINC001164784592 721372991 /nfs/dbraw/zinc/37/29/91/721372991.db2.gz QNMPGJQULRGYPA-QFIPXVFZSA-N 1 1 415.538 2.826 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(CC(=O)N(c4cnn(C)c4)C3)C2)nc1 ZINC001164886790 721373503 /nfs/dbraw/zinc/37/35/03/721373503.db2.gz NXGHNHVKKFEKMS-OFNKIYASSA-N 1 1 408.550 2.995 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(Cl)nc5c4CCC5)C3)O2)CC1 ZINC001164892842 721397411 /nfs/dbraw/zinc/39/74/11/721397411.db2.gz TXRUSRMRYXABTR-VGOFRKELSA-N 1 1 404.986 2.989 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5c4CCC5)C3)O2)CC1 ZINC001164892843 721397691 /nfs/dbraw/zinc/39/76/91/721397691.db2.gz TXRUSRMRYXABTR-VGSWGCGISA-N 1 1 404.986 2.989 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN([C@H](F)Oc4ccnc(Cl)c4)C3)O2)CC1 ZINC001164886301 721398340 /nfs/dbraw/zinc/39/83/40/721398340.db2.gz DZKCLVAJQNWCGL-IHPCNDPISA-N 1 1 412.937 2.628 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4CSC5)C3)O2)CC1 ZINC001164886327 721398988 /nfs/dbraw/zinc/39/89/88/721398988.db2.gz FGTQHXVPARTDOM-FOIQADDNSA-N 1 1 424.014 2.642 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5ncsc54)C3)O2)CC1 ZINC001164886556 721413765 /nfs/dbraw/zinc/41/37/65/721413765.db2.gz JXJOEVZWTHZOTG-IFXJQAMLSA-N 1 1 422.986 2.505 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5cccs5)nn4)C3)O2)CC1 ZINC001164887715 721421433 /nfs/dbraw/zinc/42/14/33/721421433.db2.gz MNXFANAGUFPIFL-GCJKJVERSA-N 1 1 413.591 2.971 20 0 HFADMO Cc1ccc(-c2ccc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nn2)o1 ZINC001164889582 721441205 /nfs/dbraw/zinc/44/12/05/721441205.db2.gz BXAGXWVODVBQMA-WMZHIEFXSA-N 1 1 411.550 2.810 20 0 HFADMO CSc1cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(SC)n1 ZINC001164892033 721450790 /nfs/dbraw/zinc/45/07/90/721450790.db2.gz VWCCHPFGYFLEDH-UZLBHIALSA-N 1 1 423.652 2.686 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc5c(nc4Cl)CCCC5)C3)O2)CC1 ZINC001164888400 721452011 /nfs/dbraw/zinc/45/20/11/721452011.db2.gz LXXDCOZGYVPQRB-JTSKRJEESA-N 1 1 420.001 2.774 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3cnccc31)CC2 ZINC001164789321 721453248 /nfs/dbraw/zinc/45/32/48/721453248.db2.gz UUAPJJNGKXPTGA-IBGZPJMESA-N 1 1 411.550 2.759 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(C5CCC5)nc5[nH]ccc54)C3)O2)CC1 ZINC001164892803 721453605 /nfs/dbraw/zinc/45/36/05/721453605.db2.gz YHTWZURRMXIGDG-DVECYGJZSA-N 1 1 424.593 2.991 20 0 HFADMO CCOc1cnc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)nc1 ZINC001164788649 721455753 /nfs/dbraw/zinc/45/57/53/721455753.db2.gz SAUAWGJEOGXUPJ-IBGZPJMESA-N 1 1 404.555 2.609 20 0 HFADMO CCOc1nccc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164789320 721460958 /nfs/dbraw/zinc/46/09/58/721460958.db2.gz WXKKDUPLGFRMMK-IBGZPJMESA-N 1 1 404.555 2.609 20 0 HFADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccnc(N3CCOCC3)n1)CC2 ZINC001164796807 721497252 /nfs/dbraw/zinc/49/72/52/721497252.db2.gz YVBPSGVDJOIVAO-UHFFFAOYSA-N 1 1 408.550 2.589 20 0 HFADMO Cc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1N1CCCC1 ZINC001164794567 721523819 /nfs/dbraw/zinc/52/38/19/721523819.db2.gz FWUCHDHTEGQSMA-QHAWAJNXSA-N 1 1 408.550 2.648 20 0 HFADMO Cc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1N1CCCC1 ZINC001164794567 721523821 /nfs/dbraw/zinc/52/38/21/721523821.db2.gz FWUCHDHTEGQSMA-QHAWAJNXSA-N 1 1 408.550 2.648 20 0 HFADMO CCOC(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1C ZINC001164795624 721525749 /nfs/dbraw/zinc/52/57/49/721525749.db2.gz PKEHRJRFLLQEDI-ONTIZHBOSA-N 1 1 410.518 2.830 20 0 HFADMO CCOC(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1C ZINC001164795624 721525750 /nfs/dbraw/zinc/52/57/50/721525750.db2.gz PKEHRJRFLLQEDI-ONTIZHBOSA-N 1 1 410.518 2.830 20 0 HFADMO CCOC(=O)/C=C\c1cccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164810700 721529954 /nfs/dbraw/zinc/52/99/54/721529954.db2.gz YBIXTFJXIDMEJS-VKHYXYIFSA-N 1 1 422.529 2.921 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)cn2)[C@H]2CCCO[C@H]12 ZINC001164798968 721531612 /nfs/dbraw/zinc/53/16/12/721531612.db2.gz AGETZZIOMRVADO-DAYGRLMNSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)cn2)[C@H]2CCCO[C@H]12 ZINC001164798968 721531615 /nfs/dbraw/zinc/53/16/15/721531615.db2.gz AGETZZIOMRVADO-DAYGRLMNSA-N 1 1 409.868 2.938 20 0 HFADMO COc1ccc2cnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc2c1 ZINC001164806063 721543722 /nfs/dbraw/zinc/54/37/22/721543722.db2.gz NPDPSGIFUOPFID-FDFHNCONSA-N 1 1 405.502 2.902 20 0 HFADMO COc1ccc2cnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc2c1 ZINC001164806063 721543724 /nfs/dbraw/zinc/54/37/24/721543724.db2.gz NPDPSGIFUOPFID-FDFHNCONSA-N 1 1 405.502 2.902 20 0 HFADMO O=C(c1ccnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1)N1CCCC1 ZINC001164907331 721544943 /nfs/dbraw/zinc/54/49/43/721544943.db2.gz MYPFDAVEZILAHJ-CTNGQTDRSA-N 1 1 410.493 2.799 20 0 HFADMO CCOC(=O)c1cc(C)cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164808661 721554927 /nfs/dbraw/zinc/55/49/27/721554927.db2.gz VHGDODJGKQLYSU-HKBOAZHASA-N 1 1 410.518 2.830 20 0 HFADMO CCOC(=O)c1cc(C)cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164808661 721554929 /nfs/dbraw/zinc/55/49/29/721554929.db2.gz VHGDODJGKQLYSU-HKBOAZHASA-N 1 1 410.518 2.830 20 0 HFADMO CN1CCc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2C1 ZINC001164903556 721564487 /nfs/dbraw/zinc/56/44/87/721564487.db2.gz CHATWEZKYGTUPO-WBVHZDCISA-N 1 1 417.916 2.599 20 0 HFADMO CN(C)C(=O)[C@@H]1CC12CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164911411 721569514 /nfs/dbraw/zinc/56/95/14/721569514.db2.gz ZCJMWTVKCRZQKO-FQEVSTJZSA-N 1 1 405.546 2.730 20 0 HFADMO CN(C)C(=O)[C@@H]1CC12CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164911411 721569519 /nfs/dbraw/zinc/56/95/19/721569519.db2.gz ZCJMWTVKCRZQKO-FQEVSTJZSA-N 1 1 405.546 2.730 20 0 HFADMO COC(=O)/C=C\c1cc(C)cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164800286 721570448 /nfs/dbraw/zinc/57/04/48/721570448.db2.gz DMTQNVHCVYVHCB-XXSSAVDBSA-N 1 1 422.529 2.839 20 0 HFADMO CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c2CC[NH2+]C3)[C@H]2CCCO[C@H]12 ZINC001164807855 721573124 /nfs/dbraw/zinc/57/31/24/721573124.db2.gz TYBNYANGLWEXNT-DWLFOUALSA-N 1 1 413.953 2.644 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nccnc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164805439 721573238 /nfs/dbraw/zinc/57/32/38/721573238.db2.gz NXNFRDZBDOGZPG-OAGGEKHMSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nccnc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164805439 721573240 /nfs/dbraw/zinc/57/32/40/721573240.db2.gz NXNFRDZBDOGZPG-OAGGEKHMSA-N 1 1 409.868 2.938 20 0 HFADMO COc1nnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c2ccccc21 ZINC001164805807 721576711 /nfs/dbraw/zinc/57/67/11/721576711.db2.gz OXWCSXGMOKJACE-ACRUOGEOSA-N 1 1 405.502 2.902 20 0 HFADMO COc1nnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c2ccccc21 ZINC001164805807 721576715 /nfs/dbraw/zinc/57/67/15/721576715.db2.gz OXWCSXGMOKJACE-ACRUOGEOSA-N 1 1 405.502 2.902 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccncc3)ncn2)[C@@H]2CCCO[C@@H]12 ZINC001164808921 721581184 /nfs/dbraw/zinc/58/11/84/721581184.db2.gz RUQYMMYFZXMHAV-MQSCRBSSSA-N 1 1 402.502 2.802 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccncc3)ncn2)[C@@H]2CCCO[C@@H]12 ZINC001164808921 721581187 /nfs/dbraw/zinc/58/11/87/721581187.db2.gz RUQYMMYFZXMHAV-MQSCRBSSSA-N 1 1 402.502 2.802 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C(N)=O)cc3ccccc32)[C@@H]2CCCO[C@@H]12 ZINC001164807643 721582064 /nfs/dbraw/zinc/58/20/64/721582064.db2.gz PBHQSNZHGYZQGL-YPAWHYETSA-N 1 1 417.513 2.597 20 0 HFADMO CCOC(=O)c1cncnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164902207 721583765 /nfs/dbraw/zinc/58/37/65/721583765.db2.gz CWMSKHDKEUVYQC-HXUWFJFHSA-N 1 1 417.460 2.786 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccn3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164809496 721583889 /nfs/dbraw/zinc/58/38/89/721583889.db2.gz SRWVMBZUPWNCCH-QZNHQXDQSA-N 1 1 402.502 2.802 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccn3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164809496 721583892 /nfs/dbraw/zinc/58/38/92/721583892.db2.gz SRWVMBZUPWNCCH-QZNHQXDQSA-N 1 1 402.502 2.802 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(-c3nccs3)n2)[C@@H]2CCCO[C@H]12 ZINC001164799280 721590688 /nfs/dbraw/zinc/59/06/88/721590688.db2.gz AJMGWALNAJGEKA-LMMKCTJWSA-N 1 1 408.531 2.863 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(-c3nccs3)n2)[C@@H]2CCCO[C@H]12 ZINC001164799280 721590689 /nfs/dbraw/zinc/59/06/89/721590689.db2.gz AJMGWALNAJGEKA-LMMKCTJWSA-N 1 1 408.531 2.863 20 0 HFADMO Cc1ccnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1C(N)=O ZINC001164907098 721700696 /nfs/dbraw/zinc/70/06/96/721700696.db2.gz RNJUVBJZYZRKCB-HXUWFJFHSA-N 1 1 401.461 2.622 20 0 HFADMO COc1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1OC ZINC001164904287 721702323 /nfs/dbraw/zinc/70/23/23/721702323.db2.gz BIKMFUMYQHWJRN-IBGZPJMESA-N 1 1 405.449 2.627 20 0 HFADMO C[C@H]1C(=O)Nc2ncnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c21 ZINC001164905686 721710324 /nfs/dbraw/zinc/71/03/24/721710324.db2.gz IJXWJGHLAAVYNG-VLIAUNLRSA-N 1 1 414.460 2.665 20 0 HFADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cnc(Cl)c(F)c2)CC1 ZINC001165010133 721736722 /nfs/dbraw/zinc/73/67/22/721736722.db2.gz BNLKRFDJXNQDBK-UHFFFAOYSA-N 1 1 404.864 2.942 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCC[C@]2(CO[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC001165016491 721778555 /nfs/dbraw/zinc/77/85/55/721778555.db2.gz CYFUICSVEJFDGG-DYESRHJHSA-N 1 1 407.942 2.700 20 0 HFADMO COc1ccc2c[nH+]c(N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)cc2c1 ZINC001164916615 721790477 /nfs/dbraw/zinc/79/04/77/721790477.db2.gz RDIHEUAVXKOHQI-DEOSSOPVSA-N 1 1 420.513 2.746 20 0 HFADMO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3CCNC4)C[C@@H]21 ZINC001165026617 721804338 /nfs/dbraw/zinc/80/43/38/721804338.db2.gz ROLFYEFPJJAWDU-MOXGXCLJSA-N 1 1 412.969 2.908 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3CCNC4)C[C@@H]21 ZINC001165026617 721804339 /nfs/dbraw/zinc/80/43/39/721804339.db2.gz ROLFYEFPJJAWDU-MOXGXCLJSA-N 1 1 412.969 2.908 20 0 HFADMO COc1cc2nc(Cl)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4CCN(C)C)c2cc1OC ZINC001164925756 721858235 /nfs/dbraw/zinc/85/82/35/721858235.db2.gz FXLVXZFDSDZYMU-HOTGVXAUSA-N 1 1 405.930 2.515 20 0 HFADMO COc1cc2nc(Cl)nc(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)c2cc1OC ZINC001164925756 721858237 /nfs/dbraw/zinc/85/82/37/721858237.db2.gz FXLVXZFDSDZYMU-HOTGVXAUSA-N 1 1 405.930 2.515 20 0 HFADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ncnc2c1ccn2Cc1cccc(F)c1 ZINC001164927933 721866457 /nfs/dbraw/zinc/86/64/57/721866457.db2.gz XGQQDMDARFNSOH-LEWJYISDSA-N 1 1 408.525 2.833 20 0 HFADMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncnc2c1ccn2Cc1cccc(F)c1 ZINC001164927933 721866459 /nfs/dbraw/zinc/86/64/59/721866459.db2.gz XGQQDMDARFNSOH-LEWJYISDSA-N 1 1 408.525 2.833 20 0 HFADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc(Oc2cccc(F)c2)n1 ZINC001164927975 721870712 /nfs/dbraw/zinc/87/07/12/721870712.db2.gz XQJJXJNLFUAKPJ-HZPDHXFCSA-N 1 1 406.893 2.671 20 0 HFADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc(Oc2cccc(F)c2)n1 ZINC001164927975 721870713 /nfs/dbraw/zinc/87/07/13/721870713.db2.gz XQJJXJNLFUAKPJ-HZPDHXFCSA-N 1 1 406.893 2.671 20 0 HFADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ncc(NC(=O)OC(C)(C)C)c2nc[nH]c21 ZINC001164926008 721876739 /nfs/dbraw/zinc/87/67/39/721876739.db2.gz PUQFOLFHQUHXJN-HOTGVXAUSA-N 1 1 415.542 2.520 20 0 HFADMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ncc(NC(=O)OC(C)(C)C)c2nc[nH]c21 ZINC001164926008 721876741 /nfs/dbraw/zinc/87/67/41/721876741.db2.gz PUQFOLFHQUHXJN-HOTGVXAUSA-N 1 1 415.542 2.520 20 0 HFADMO C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCN(C(N)=O)CC4)c32)C1 ZINC001165041857 721941193 /nfs/dbraw/zinc/94/11/93/721941193.db2.gz HAVCQBKIDXPODV-AWEZNQCLSA-N 1 1 414.579 2.613 20 0 HFADMO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165046025 721961985 /nfs/dbraw/zinc/96/19/85/721961985.db2.gz GYKJQGLGDSVBMR-HNNXBMFYSA-N 1 1 404.898 2.608 20 0 HFADMO CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C2)C1 ZINC001164954852 722009445 /nfs/dbraw/zinc/00/94/45/722009445.db2.gz PGNVTYILKDUNJX-DYESRHJHSA-N 1 1 421.973 2.730 20 0 HFADMO COC(=O)c1nc(Cl)cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164960569 722023489 /nfs/dbraw/zinc/02/34/89/722023489.db2.gz KTNRQVMYMSIRQV-UHFFFAOYSA-N 1 1 401.898 2.804 20 0 HFADMO Cc1ccc(N(c2ncccc2CN2CCCC2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960557 722025824 /nfs/dbraw/zinc/02/58/24/722025824.db2.gz KLRDCEMVLZMURF-REWPJTCUSA-N 1 1 408.550 2.825 20 0 HFADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCCn3c(Cn4cccn4)nnc3C2)n1 ZINC001164971821 722088924 /nfs/dbraw/zinc/08/89/24/722088924.db2.gz DZBMDCVVMGXDJS-UHFFFAOYSA-N 1 1 412.929 2.577 20 0 HFADMO Clc1ccc2c(ncnc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164980651 722104569 /nfs/dbraw/zinc/10/45/69/722104569.db2.gz JUEMXTKBHONUSF-FUHWJXTLSA-N 1 1 410.909 2.801 20 0 HFADMO Clc1nc2ncccc2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984698 722104815 /nfs/dbraw/zinc/10/48/15/722104815.db2.gz TZNCDAWGXOVPMB-AEFFLSMTSA-N 1 1 410.909 2.801 20 0 HFADMO Clc1ccc2c(ncnc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164980654 722104923 /nfs/dbraw/zinc/10/49/23/722104923.db2.gz JUEMXTKBHONUSF-SJLPKXTDSA-N 1 1 410.909 2.801 20 0 HFADMO Clc1nc2cnccc2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979266 722109342 /nfs/dbraw/zinc/10/93/42/722109342.db2.gz PRFXMGAIRQYLNR-LPHOPBHVSA-N 1 1 410.909 2.801 20 0 HFADMO COC(=O)c1c(C)cc(C)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974901 722115523 /nfs/dbraw/zinc/11/55/23/722115523.db2.gz IVIDXQKPGHJLNK-PMACEKPBSA-N 1 1 410.518 2.607 20 0 HFADMO Clc1nc2cccnc2nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975815 722116903 /nfs/dbraw/zinc/11/69/03/722116903.db2.gz LBRAGVJMQYCOKJ-SJLPKXTDSA-N 1 1 410.909 2.801 20 0 HFADMO F[C@H](Oc1cccc(Cl)n1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979797 722118577 /nfs/dbraw/zinc/11/85/77/722118577.db2.gz QENMPUJEJRLNNT-HLIPFELVSA-N 1 1 406.889 2.985 20 0 HFADMO CC(C)(C)NC(=O)c1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164980282 722132763 /nfs/dbraw/zinc/13/27/63/722132763.db2.gz MKSSRESKEJDJQH-RTWAWAEBSA-N 1 1 423.561 2.732 20 0 HFADMO COC(=O)/C=C/c1cc(C)cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979657 722133974 /nfs/dbraw/zinc/13/39/74/722133974.db2.gz LRGBNHCYEVLNSO-YPXJWJENSA-N 1 1 422.529 2.699 20 0 HFADMO FC(F)(c1nccnc1Cl)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978065 722136459 /nfs/dbraw/zinc/13/64/59/722136459.db2.gz JMEKBMMCVJWIFY-HZPDHXFCSA-N 1 1 409.868 2.797 20 0 HFADMO Cc1noc(-c2cccnc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982224 722142551 /nfs/dbraw/zinc/14/25/51/722142551.db2.gz RKYVIPSFJWUWEF-UYAOXDASSA-N 1 1 406.490 2.562 20 0 HFADMO CC1CCN(c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)CC1 ZINC001164972808 722142644 /nfs/dbraw/zinc/14/26/44/722142644.db2.gz APSQIFURBVNKHI-VXKWHMMOSA-N 1 1 422.577 2.835 20 0 HFADMO Cc1noc(-c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2)n1 ZINC001164979571 722144683 /nfs/dbraw/zinc/14/46/83/722144683.db2.gz LGECFDPDBKHJKS-PMACEKPBSA-N 1 1 406.490 2.562 20 0 HFADMO C[C@@H]1CCCN(c2cc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)ncn2)C1 ZINC001164985414 722149239 /nfs/dbraw/zinc/14/92/39/722149239.db2.gz ZJOGRMGSFGLOTA-BAGYTPMASA-N 1 1 422.577 2.835 20 0 HFADMO C[C@@H]1CCCN(c2cc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)ncn2)C1 ZINC001164985416 722149846 /nfs/dbraw/zinc/14/98/46/722149846.db2.gz ZJOGRMGSFGLOTA-CEMLEFRQSA-N 1 1 422.577 2.835 20 0 HFADMO CCNS(=O)(=O)c1cccnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995684 722203344 /nfs/dbraw/zinc/20/33/44/722203344.db2.gz PHSUWYIOSDJWHI-OAQYLSRUSA-N 1 1 418.538 2.764 20 0 HFADMO CCNS(=O)(=O)c1cccnc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995684 722203345 /nfs/dbraw/zinc/20/33/45/722203345.db2.gz PHSUWYIOSDJWHI-OAQYLSRUSA-N 1 1 418.538 2.764 20 0 HFADMO CN(C)S(=O)(=O)c1ccc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1 ZINC001164995366 722207775 /nfs/dbraw/zinc/20/77/75/722207775.db2.gz MOWVOTPTQREVGY-OAQYLSRUSA-N 1 1 418.538 2.716 20 0 HFADMO C[NH+]1CCN(c2nccc(N3CC[C@@H](OCC4CC4)[C@@H]3Cc3ccccc3)n2)CC1 ZINC001165004551 722271991 /nfs/dbraw/zinc/27/19/91/722271991.db2.gz BLXXBSRBBHNLMX-FCHUYYIVSA-N 1 1 407.562 2.845 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792994741 1078043535 /nfs/dbraw/zinc/04/35/35/1078043535.db2.gz GOTDDMNSOMHKJE-OAHLLOKOSA-N 1 1 417.307 2.516 20 0 HFADMO CC(C)(C)OC(=O)NCCC[N@@H+](C[C@@H](O)CC1(O)CCOCC1)CC1CCCC1 ZINC001170139619 1078055938 /nfs/dbraw/zinc/05/59/38/1078055938.db2.gz LMQNBHAOPDSVTO-IBGZPJMESA-N 1 1 414.587 2.686 20 0 HFADMO C[C@@H]1C[C@@H](NC(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000793087392 1078065273 /nfs/dbraw/zinc/06/52/73/1078065273.db2.gz YCHJHZJBZDOZCN-RADWXHQJSA-N 1 1 400.523 2.712 20 0 HFADMO Cc1ccc(CCC[N@H+]2CCC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)cn1 ZINC000793089542 1078066132 /nfs/dbraw/zinc/06/61/32/1078066132.db2.gz VONYXTHOTUNDOJ-HXUWFJFHSA-N 1 1 416.566 2.866 20 0 HFADMO COc1ccc(NC(=O)C(=O)NCc2c[nH+]c3n2CCCC3)cc1OC1CCCC1 ZINC000793110530 1078081951 /nfs/dbraw/zinc/08/19/51/1078081951.db2.gz LMMDSUGQCXKOIT-UHFFFAOYSA-N 1 1 412.490 2.804 20 0 HFADMO CSc1nc2ccc(NC(=O)C(=O)NCc3c[nH+]c4n3CCCC4)cc2s1 ZINC000793107760 1078079955 /nfs/dbraw/zinc/07/99/55/1078079955.db2.gz AZQWBFXTLKQNKY-UHFFFAOYSA-N 1 1 401.517 2.806 20 0 HFADMO COc1cc(Cl)ccc1NC(=O)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000793108534 1078080762 /nfs/dbraw/zinc/08/07/62/1078080762.db2.gz MPVFMDXVBRKMQW-KRWDZBQOSA-N 1 1 401.894 2.672 20 0 HFADMO COc1cc(Cl)ccc1NC(=O)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000793108534 1078080764 /nfs/dbraw/zinc/08/07/64/1078080764.db2.gz MPVFMDXVBRKMQW-KRWDZBQOSA-N 1 1 401.894 2.672 20 0 HFADMO Cc1cc(N2CCC[C@H](OC(=O)[C@@H]3CCS(=O)(=O)c4ccccc43)C2)nc(C)[nH+]1 ZINC000793146612 1078090023 /nfs/dbraw/zinc/09/00/23/1078090023.db2.gz IMUOFKSFSLSYHS-FUHWJXTLSA-N 1 1 415.515 2.567 20 0 HFADMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)C[C@@H](C)O1 ZINC000793186523 1078096431 /nfs/dbraw/zinc/09/64/31/1078096431.db2.gz UIJFSFRHYWLNCK-ZJPYXAASSA-N 1 1 409.571 2.732 20 0 HFADMO COc1ccc(-n2cnn(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2=S)cn1 ZINC000772829146 1078105945 /nfs/dbraw/zinc/10/59/45/1078105945.db2.gz RNTGYXYDCCPBAE-QAPCUYQASA-N 1 1 400.552 2.713 20 0 HFADMO CC(C)(C)OC(=O)N1CCCc2cc(C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)ccc21 ZINC000793290330 1078119482 /nfs/dbraw/zinc/11/94/82/1078119482.db2.gz FGJFIWZYHXJHHX-RTBURBONSA-N 1 1 415.534 2.967 20 0 HFADMO C[C@H]([NH2+][C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21)C(=O)N(C)C ZINC000790742117 1078121986 /nfs/dbraw/zinc/12/19/86/1078121986.db2.gz MZFGFELMTLXZAP-YHEJKZAPSA-N 1 1 403.523 2.956 20 0 HFADMO O=C(CNC(=O)c1cc(C2CC2)cnc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000793319029 1078135487 /nfs/dbraw/zinc/13/54/87/1078135487.db2.gz KKZIEVBLRLQXQO-UHFFFAOYSA-N 1 1 412.921 2.687 20 0 HFADMO CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000793321450 1078136741 /nfs/dbraw/zinc/13/67/41/1078136741.db2.gz IDONZPQEPSHZKA-FQEVSTJZSA-N 1 1 424.636 2.750 20 0 HFADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790817434 1078153631 /nfs/dbraw/zinc/15/36/31/1078153631.db2.gz HQTRLFBXNMAWGW-KNQAVFIVSA-N 1 1 408.502 2.793 20 0 HFADMO O=C(Cn1cc(C(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1)NC1CCCCC1 ZINC000747122657 1078177418 /nfs/dbraw/zinc/17/74/18/1078177418.db2.gz DNBPALFJWFGISH-NRFANRHFSA-N 1 1 410.518 2.763 20 0 HFADMO COCC1(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793578232 1078213199 /nfs/dbraw/zinc/21/31/99/1078213199.db2.gz WWMZOTBCQQFHQO-GOSISDBHSA-N 1 1 411.587 2.983 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CN2C(=O)NC3(C[C@@H](C)C[C@H](C)C3)C2=O)C1 ZINC000793591327 1078217323 /nfs/dbraw/zinc/21/73/23/1078217323.db2.gz ACUKCGHPULYAOF-PNLZDCPESA-N 1 1 413.518 2.507 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CN2C(=O)NC3(C[C@@H](C)C[C@H](C)C3)C2=O)C1 ZINC000793591327 1078217326 /nfs/dbraw/zinc/21/73/26/1078217326.db2.gz ACUKCGHPULYAOF-PNLZDCPESA-N 1 1 413.518 2.507 20 0 HFADMO CN(CCC(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)C(=O)OCc1ccccc1 ZINC000793595141 1078218533 /nfs/dbraw/zinc/21/85/33/1078218533.db2.gz JDKSRRBIBLIXMZ-UHFFFAOYSA-N 1 1 412.490 2.784 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CN2C(=O)[C@@H](C)N(c3ccccc3)C2=O)C1 ZINC000793594582 1078218769 /nfs/dbraw/zinc/21/87/69/1078218769.db2.gz FOMBCEKADSJCIW-HXOBKFHXSA-N 1 1 407.470 2.618 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CN2C(=O)[C@@H](C)N(c3ccccc3)C2=O)C1 ZINC000793594582 1078218771 /nfs/dbraw/zinc/21/87/71/1078218771.db2.gz FOMBCEKADSJCIW-HXOBKFHXSA-N 1 1 407.470 2.618 20 0 HFADMO CC(C)OCC[NH+]1CCN(C(=O)[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000793595921 1078218775 /nfs/dbraw/zinc/21/87/75/1078218775.db2.gz JZJCERZHBASXPE-HSZRJFAPSA-N 1 1 417.550 2.604 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CN2C(=O)CN(/C=C/c3ccccc3)C2=O)C1 ZINC000793601835 1078220938 /nfs/dbraw/zinc/22/09/38/1078220938.db2.gz XSQBFUCVJUZBJC-ZOBSEURRSA-N 1 1 419.481 2.696 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CN2C(=O)CN(/C=C/c3ccccc3)C2=O)C1 ZINC000793601835 1078220942 /nfs/dbraw/zinc/22/09/42/1078220942.db2.gz XSQBFUCVJUZBJC-ZOBSEURRSA-N 1 1 419.481 2.696 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CN2C(=O)CN(/C=C/c3ccccc3)C2=O)C1 ZINC000793601834 1078220984 /nfs/dbraw/zinc/22/09/84/1078220984.db2.gz XSQBFUCVJUZBJC-SWDTZWKESA-N 1 1 419.481 2.696 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CN2C(=O)CN(/C=C/c3ccccc3)C2=O)C1 ZINC000793601834 1078220988 /nfs/dbraw/zinc/22/09/88/1078220988.db2.gz XSQBFUCVJUZBJC-SWDTZWKESA-N 1 1 419.481 2.696 20 0 HFADMO C[N@@H+]1CCN(Cc2ccc(Oc3cnccn3)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793603145 1078221305 /nfs/dbraw/zinc/22/13/05/1078221305.db2.gz DWRZXDAQFAGLHI-SFHVURJKSA-N 1 1 413.522 2.910 20 0 HFADMO C[N@H+]1CCN(Cc2ccc(Oc3cnccn3)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793603145 1078221307 /nfs/dbraw/zinc/22/13/07/1078221307.db2.gz DWRZXDAQFAGLHI-SFHVURJKSA-N 1 1 413.522 2.910 20 0 HFADMO COc1cc(CN2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc(Cl)c1OC ZINC000793603847 1078221924 /nfs/dbraw/zinc/22/19/24/1078221924.db2.gz LXSBWLMHCQUGOR-HNNXBMFYSA-N 1 1 413.946 2.998 20 0 HFADMO COc1cc(CN2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc(Cl)c1OC ZINC000793603847 1078221927 /nfs/dbraw/zinc/22/19/27/1078221927.db2.gz LXSBWLMHCQUGOR-HNNXBMFYSA-N 1 1 413.946 2.998 20 0 HFADMO C[N@@H+]1CCN(Cc2cnn(-c3ccc(F)cc3)c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793605652 1078223251 /nfs/dbraw/zinc/22/32/51/1078223251.db2.gz WTZPWALKHVIYCI-LJQANCHMSA-N 1 1 403.502 2.652 20 0 HFADMO C[N@H+]1CCN(Cc2cnn(-c3ccc(F)cc3)c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793605652 1078223254 /nfs/dbraw/zinc/22/32/54/1078223254.db2.gz WTZPWALKHVIYCI-LJQANCHMSA-N 1 1 403.502 2.652 20 0 HFADMO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)N1CCC(c2cnc[nH]2)CC1 ZINC000793622589 1078230517 /nfs/dbraw/zinc/23/05/17/1078230517.db2.gz VZMWKYQHMXYONF-RTBURBONSA-N 1 1 419.485 2.708 20 0 HFADMO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CCN1C(=O)OC(C)(C)C ZINC000793665546 1078245241 /nfs/dbraw/zinc/24/52/41/1078245241.db2.gz TZRHKBKTPFBEQI-OKYOBFRVSA-N 1 1 409.571 2.782 20 0 HFADMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NCc2ccn(-c3ccccc3)n2)C1 ZINC000793668667 1078246509 /nfs/dbraw/zinc/24/65/09/1078246509.db2.gz YXCSMJYQGUHORH-VQTJNVASSA-N 1 1 423.561 2.602 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000793687908 1078256901 /nfs/dbraw/zinc/25/69/01/1078256901.db2.gz ROWQPYDJEXKGPV-AWWSKVOZSA-N 1 1 423.557 2.843 20 0 HFADMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1Cn1ncc2cn(C)nc2c1=O ZINC000793726727 1078268537 /nfs/dbraw/zinc/26/85/37/1078268537.db2.gz YJZLGXLDDISFBA-QFIPXVFZSA-N 1 1 422.577 2.753 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000793800964 1078302493 /nfs/dbraw/zinc/30/24/93/1078302493.db2.gz JBLRDRAHKPYZHF-KXBFYZLASA-N 1 1 421.476 2.736 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000793804812 1078304623 /nfs/dbraw/zinc/30/46/23/1078304623.db2.gz FLOXLRJFNCSYKG-PXNSSMCTSA-N 1 1 417.513 2.905 20 0 HFADMO C/C(=C/c1ccccc1)CN(C)C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000793807456 1078305562 /nfs/dbraw/zinc/30/55/62/1078305562.db2.gz HLQDXNQWUUOBQY-VKAVYKQESA-N 1 1 403.486 2.754 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000793806838 1078305888 /nfs/dbraw/zinc/30/58/88/1078305888.db2.gz HEXQSYOBOWGWJK-UHFFFAOYSA-N 1 1 417.513 2.673 20 0 HFADMO Cc1cccc(OC[C@@H](C)NC(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000793798003 1078301239 /nfs/dbraw/zinc/30/12/39/1078301239.db2.gz HVUOENQAZIAPDE-NLFFAJNJSA-N 1 1 423.557 2.907 20 0 HFADMO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793774900 1078308207 /nfs/dbraw/zinc/30/82/07/1078308207.db2.gz XPUPWEOPIFGWBC-IFMALSPDSA-N 1 1 423.557 2.907 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001170438248 1078312052 /nfs/dbraw/zinc/31/20/52/1078312052.db2.gz QZTDBECJKGXYFL-QEUVDIPISA-N 1 1 400.519 2.838 20 0 HFADMO Cc1ccc([C@@H](C)NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000793844474 1078312487 /nfs/dbraw/zinc/31/24/87/1078312487.db2.gz JZQZHMNHELPOQA-SJLPKXTDSA-N 1 1 414.575 2.561 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NCCCc1cccc(Cl)c1 ZINC000793811063 1078314601 /nfs/dbraw/zinc/31/46/01/1078314601.db2.gz WXTUFTRNCOWBKG-UHFFFAOYSA-N 1 1 411.893 2.594 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCSC[C@@H]1c1ccccc1 ZINC000793811952 1078315059 /nfs/dbraw/zinc/31/50/59/1078315059.db2.gz XKIXXTATVVAPMB-LJQANCHMSA-N 1 1 421.526 2.509 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000793811685 1078315067 /nfs/dbraw/zinc/31/50/67/1078315067.db2.gz YRJCDHGUAGBISA-UHFFFAOYSA-N 1 1 415.856 2.643 20 0 HFADMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)C1 ZINC000793832379 1078320605 /nfs/dbraw/zinc/32/06/05/1078320605.db2.gz ZHUWLRWVKIYDIO-XUVXKRRUSA-N 1 1 410.518 2.567 20 0 HFADMO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NC2CCC(O)(c3ccccc3)CC2)c1 ZINC000793872409 1078329409 /nfs/dbraw/zinc/32/94/09/1078329409.db2.gz ZJQPUPUOGQTWDC-UHFFFAOYSA-N 1 1 423.557 2.701 20 0 HFADMO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2)c1 ZINC000793863104 1078327016 /nfs/dbraw/zinc/32/70/16/1078327016.db2.gz BMWCHATXJJGMSK-QFIPXVFZSA-N 1 1 422.573 2.848 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)C[C@@H](O)c2ccc(OCc3ccccc3)cc2)[C@H](C)C1 ZINC000793874031 1078330519 /nfs/dbraw/zinc/33/05/19/1078330519.db2.gz KKYLQQOVEHQFKM-SELNLUPBSA-N 1 1 412.530 2.603 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)C[C@@H](O)c2ccc(OCc3ccccc3)cc2)[C@@H](C)C1 ZINC000793874033 1078330524 /nfs/dbraw/zinc/33/05/24/1078330524.db2.gz KKYLQQOVEHQFKM-SFYKDHMMSA-N 1 1 412.530 2.603 20 0 HFADMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000793874044 1078330527 /nfs/dbraw/zinc/33/05/27/1078330527.db2.gz KORMLIOHJPUUIQ-DLBZAZTESA-N 1 1 417.550 2.901 20 0 HFADMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000793874044 1078330528 /nfs/dbraw/zinc/33/05/28/1078330528.db2.gz KORMLIOHJPUUIQ-DLBZAZTESA-N 1 1 417.550 2.901 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@H](C)C1 ZINC000793874876 1078331204 /nfs/dbraw/zinc/33/12/04/1078331204.db2.gz OUDWQOJGQKXFHX-LNLFQRSKSA-N 1 1 405.539 2.556 20 0 HFADMO C[NH+](C)CCOc1ccc(C=CC(=O)N[C@H](Cc2nc[nH]n2)c2ccccc2)cc1 ZINC000793876626 1078331765 /nfs/dbraw/zinc/33/17/65/1078331765.db2.gz WGCINPLTRFLALT-QYFOZDBKSA-N 1 1 405.502 2.859 20 0 HFADMO Cc1nc2c(s1)[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c3ccccc3)C1)CCC2 ZINC000793931403 1078341255 /nfs/dbraw/zinc/34/12/55/1078341255.db2.gz OHDUPKZIWJLOKP-LSBZLQRGSA-N 1 1 412.559 2.897 20 0 HFADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)C1 ZINC000793908449 1078334505 /nfs/dbraw/zinc/33/45/05/1078334505.db2.gz IECLCTWABQQLHO-NQIIRXRSSA-N 1 1 415.578 2.585 20 0 HFADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000793900105 1078343918 /nfs/dbraw/zinc/34/39/18/1078343918.db2.gz FJDCBQOXHPIVRO-KFWWJZLASA-N 1 1 415.456 2.999 20 0 HFADMO Cn1cc[nH+]c1N1CCC(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)CC1 ZINC000793951701 1078345261 /nfs/dbraw/zinc/34/52/61/1078345261.db2.gz LPWGVPPCEBAZHJ-CAPFRKAQSA-N 1 1 419.485 2.569 20 0 HFADMO Cc1nn(-c2ccccc2)c2ncc(C(=O)NC3CCN(c4[nH+]ccn4C)CC3)cc12 ZINC000793954304 1078346482 /nfs/dbraw/zinc/34/64/82/1078346482.db2.gz YIHOPTSFGBINJC-UHFFFAOYSA-N 1 1 415.501 2.861 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000793965407 1078348686 /nfs/dbraw/zinc/34/86/86/1078348686.db2.gz GPVCITYGRMQUAB-CZUORRHYSA-N 1 1 416.526 2.598 20 0 HFADMO C[C@H](C(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)[NH+]1CCSCC1 ZINC000794047688 1078365469 /nfs/dbraw/zinc/36/54/69/1078365469.db2.gz LQDWVFNKCSEITP-IEBWSBKVSA-N 1 1 405.564 2.589 20 0 HFADMO C[N@@H+](CC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)[C@H]1CCSC1 ZINC000794047642 1078365484 /nfs/dbraw/zinc/36/54/84/1078365484.db2.gz KSCCIMUAQBYYSA-OALUTQOASA-N 1 1 405.564 2.589 20 0 HFADMO CCn1c(SCC(=O)OC[C@@H]2C[N@@H+](CC(C)C)CCO2)nnc1-c1ccco1 ZINC000794144121 1078377656 /nfs/dbraw/zinc/37/76/56/1078377656.db2.gz MOVGBMXDXUWPRM-HNNXBMFYSA-N 1 1 408.524 2.550 20 0 HFADMO C[NH+](C)Cc1ccc(NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)cc1Cl ZINC000794234514 1078389727 /nfs/dbraw/zinc/38/97/27/1078389727.db2.gz RPGHTFRULBWSTM-SFHVURJKSA-N 1 1 417.872 2.599 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000794383739 1078432753 /nfs/dbraw/zinc/43/27/53/1078432753.db2.gz PMHANTNPYSUJRX-RTBURBONSA-N 1 1 405.539 2.547 20 0 HFADMO CC[N@@H+]1CCN(C(=O)c2cnn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)[C@@H](C)C1 ZINC000804378851 1078455399 /nfs/dbraw/zinc/45/53/99/1078455399.db2.gz CIULSALLBSJTDC-WMZOPIPTSA-N 1 1 405.543 2.621 20 0 HFADMO CC[N@H+]1CCN(C(=O)c2cnn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)[C@@H](C)C1 ZINC000804378851 1078455402 /nfs/dbraw/zinc/45/54/02/1078455402.db2.gz CIULSALLBSJTDC-WMZOPIPTSA-N 1 1 405.543 2.621 20 0 HFADMO CC[N@H+]1CCN(C(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)[C@H](C)C1 ZINC000804379800 1078455620 /nfs/dbraw/zinc/45/56/20/1078455620.db2.gz BICOKSOQHNPPDF-NISQSXRWSA-N 1 1 408.531 2.952 20 0 HFADMO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@@H]2CC[C@H](C(N)=O)C2)c1 ZINC001129779618 1078488752 /nfs/dbraw/zinc/48/87/52/1078488752.db2.gz TVEAITMDKPJQTD-GSPCLOLRSA-N 1 1 405.542 2.981 20 0 HFADMO CCN1CC[NH+](CC(C)(C)NC(=O)c2ccc(O[C@H](C)C(F)(F)F)nc2C)CC1 ZINC001129808323 1078506045 /nfs/dbraw/zinc/50/60/45/1078506045.db2.gz OZKKJCXDNUZTPS-OAHLLOKOSA-N 1 1 416.488 2.866 20 0 HFADMO O=C1[C@H]([N@H+]2CCC[C@@H](N3CCOCC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC001170451831 1078506401 /nfs/dbraw/zinc/50/64/01/1078506401.db2.gz OEXURPKDEHBKMW-IEBWSBKVSA-N 1 1 409.477 2.580 20 0 HFADMO O=C(C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)NCCc1cccc(Cl)c1Cl ZINC001170452265 1078519803 /nfs/dbraw/zinc/51/98/03/1078519803.db2.gz UOKGZQASAITCSF-GOEBONIOSA-N 1 1 420.340 2.933 20 0 HFADMO O=C(C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)NCCc1cccc(Cl)c1Cl ZINC001170452265 1078519807 /nfs/dbraw/zinc/51/98/07/1078519807.db2.gz UOKGZQASAITCSF-GOEBONIOSA-N 1 1 420.340 2.933 20 0 HFADMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)C1 ZINC001129802049 1078526618 /nfs/dbraw/zinc/52/66/18/1078526618.db2.gz XLALBZUUIKTHSM-VQTJNVASSA-N 1 1 401.551 2.635 20 0 HFADMO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1ncoc1-c1ccccc1Cl ZINC001129555565 1078545801 /nfs/dbraw/zinc/54/58/01/1078545801.db2.gz NDYXWWGTVVMMDX-UHFFFAOYSA-N 1 1 405.882 2.606 20 0 HFADMO O=C(CCNC(=O)OCC(F)(F)F)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804533288 1078570124 /nfs/dbraw/zinc/57/01/24/1078570124.db2.gz BRMAOXGEZYUXCK-IBGZPJMESA-N 1 1 413.440 2.790 20 0 HFADMO O=C([C@@H]1CCCN1C(=O)C(F)(F)F)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804534187 1078571368 /nfs/dbraw/zinc/57/13/68/1078571368.db2.gz DUKIRANLYKIXMI-PXNSSMCTSA-N 1 1 409.452 2.664 20 0 HFADMO CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000804533670 1078571420 /nfs/dbraw/zinc/57/14/20/1078571420.db2.gz IOQJFNLYJZCOJA-XXBNENTESA-N 1 1 413.518 2.598 20 0 HFADMO CC(C)(C)OC(=O)C1=NO[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000804533668 1078572045 /nfs/dbraw/zinc/57/20/45/1078572045.db2.gz IOQJFNLYJZCOJA-WMZHIEFXSA-N 1 1 413.518 2.598 20 0 HFADMO COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC001129905749 1078577416 /nfs/dbraw/zinc/57/74/16/1078577416.db2.gz PGOXPCQAYWNXKY-QMHKHESXSA-N 1 1 417.550 2.914 20 0 HFADMO COC1(CNc2cc(NCC3(OC)CCOCC3)c3ccncc3[nH+]2)CCOCC1 ZINC000804564351 1078598475 /nfs/dbraw/zinc/59/84/75/1078598475.db2.gz BPIGJMSZKACSJO-UHFFFAOYSA-N 1 1 416.522 2.845 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC000804777042 1078603095 /nfs/dbraw/zinc/60/30/95/1078603095.db2.gz NJZIXJPMQUKSQU-HNNXBMFYSA-N 1 1 415.987 2.973 20 0 HFADMO CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804761517 1078611099 /nfs/dbraw/zinc/61/10/99/1078611099.db2.gz HLCKNHJVHBYKHG-LJQANCHMSA-N 1 1 410.603 2.652 20 0 HFADMO COCC(C)(C)[NH+]1CCN(C(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC001129925722 1078617335 /nfs/dbraw/zinc/61/73/35/1078617335.db2.gz JCOWLKMRPNRUMK-UHFFFAOYSA-N 1 1 407.312 2.575 20 0 HFADMO CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC001129925985 1078618373 /nfs/dbraw/zinc/61/83/73/1078618373.db2.gz MSPFOUFYAOCZFV-GHTZIAJQSA-N 1 1 415.578 2.555 20 0 HFADMO CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC001129925988 1078618409 /nfs/dbraw/zinc/61/84/09/1078618409.db2.gz MSPFOUFYAOCZFV-WIYYLYMNSA-N 1 1 415.578 2.555 20 0 HFADMO CN(C(=O)c1ccc(CNC(=O)c2cccs2)cc1)C(C)(C)C[NH+]1CCOCC1 ZINC001129659248 1078620514 /nfs/dbraw/zinc/62/05/14/1078620514.db2.gz YNZBXTLVRREJMX-UHFFFAOYSA-N 1 1 415.559 2.861 20 0 HFADMO CC1(C)OC(=O)c2c1ccnc2N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804807246 1078636897 /nfs/dbraw/zinc/63/68/97/1078636897.db2.gz CYJQEYKJDLJORS-LJQANCHMSA-N 1 1 406.530 2.884 20 0 HFADMO NS(=O)(=O)c1ccc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c2ncccc12 ZINC000804812120 1078657100 /nfs/dbraw/zinc/65/71/00/1078657100.db2.gz JREHXFDAPJDKKT-QHCPKHFHSA-N 1 1 422.554 2.985 20 0 HFADMO Cc1oc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc1CN1C(=O)c2ccccc2C1=O ZINC001129678638 1078666439 /nfs/dbraw/zinc/66/64/39/1078666439.db2.gz DWHWQHGQMYOGFY-KRWDZBQOSA-N 1 1 409.486 2.939 20 0 HFADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC001129678592 1078666588 /nfs/dbraw/zinc/66/65/88/1078666588.db2.gz CRQDYGIOBBJWNN-HNNXBMFYSA-N 1 1 415.987 2.972 20 0 HFADMO CC(C)n1ncc2cc(C=CC(=O)N(C)CCC[N@@H+](C)Cc3ccco3)c(=O)[nH]c21 ZINC000804868323 1078692352 /nfs/dbraw/zinc/69/23/52/1078692352.db2.gz CXOZNEGBIFTKHE-HJWRWDBZSA-N 1 1 411.506 2.892 20 0 HFADMO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)no1 ZINC000804644166 1078698251 /nfs/dbraw/zinc/69/82/51/1078698251.db2.gz YGYVLXWEXUXJKJ-SCWSEQNSSA-N 1 1 410.518 2.816 20 0 HFADMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1S(C)(=O)=O ZINC001129760929 1078704768 /nfs/dbraw/zinc/70/47/68/1078704768.db2.gz RAQBXHGXRPDRBU-QGZVFWFLSA-N 1 1 402.516 2.949 20 0 HFADMO CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000747221488 1078721817 /nfs/dbraw/zinc/72/18/17/1078721817.db2.gz FPMKZICUOBVDKA-WBVHZDCISA-N 1 1 403.527 2.614 20 0 HFADMO CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000747221488 1078721820 /nfs/dbraw/zinc/72/18/20/1078721820.db2.gz FPMKZICUOBVDKA-WBVHZDCISA-N 1 1 403.527 2.614 20 0 HFADMO CC(C)[C@@H](C(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000747218856 1078726257 /nfs/dbraw/zinc/72/62/57/1078726257.db2.gz RHPKJDVPZKFIHW-DACLVMHWSA-N 1 1 418.456 2.869 20 0 HFADMO CC(C)[C@@H](C(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000747218856 1078726261 /nfs/dbraw/zinc/72/62/61/1078726261.db2.gz RHPKJDVPZKFIHW-DACLVMHWSA-N 1 1 418.456 2.869 20 0 HFADMO Cc1nc(C[NH+]2CCC(C(=O)N3CCCC[C@@H]3COC(=O)N(C)C)CC2)cs1 ZINC000804662371 1078731173 /nfs/dbraw/zinc/73/11/73/1078731173.db2.gz UKXYRKFLIAHMRO-GOSISDBHSA-N 1 1 408.568 2.743 20 0 HFADMO C[C@@H]1C[N@H+](CCCNC(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)C[C@H](C)O1 ZINC000804901479 1078756714 /nfs/dbraw/zinc/75/67/14/1078756714.db2.gz HHJDFUAPPWSKBE-WSTZPKSXSA-N 1 1 424.586 2.719 20 0 HFADMO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000804896626 1078752660 /nfs/dbraw/zinc/75/26/60/1078752660.db2.gz SHOQYGYIIYDHDV-IFXJQAMLSA-N 1 1 413.440 2.570 20 0 HFADMO Cc1ccccc1[C@H](O)C1CCN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000804902073 1078758516 /nfs/dbraw/zinc/75/85/16/1078758516.db2.gz SNOBJSJFIIRWNO-XQBPLPMBSA-N 1 1 403.567 2.949 20 0 HFADMO CC(C)C[N@H+]1CCO[C@H](COC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)C1 ZINC000804944625 1078771879 /nfs/dbraw/zinc/77/18/79/1078771879.db2.gz ZVIKCEGWWDCHOP-QUCCMNQESA-N 1 1 403.523 2.831 20 0 HFADMO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000804928427 1078784805 /nfs/dbraw/zinc/78/48/05/1078784805.db2.gz OLUORXZNJSLEQA-NRFANRHFSA-N 1 1 416.566 2.563 20 0 HFADMO C[C@H]1C[N@H+](Cc2cccc(CNS(=O)(=O)c3cnc(Cl)c(F)c3)c2)CCO1 ZINC000804967632 1078804045 /nfs/dbraw/zinc/80/40/45/1078804045.db2.gz AFSOUQMXKXHZLV-ZDUSSCGKSA-N 1 1 413.902 2.573 20 0 HFADMO C[C@H]1C[N@@H+](Cc2cccc(CNS(=O)(=O)c3cnc(Cl)c(F)c3)c2)CCO1 ZINC000804967632 1078804051 /nfs/dbraw/zinc/80/40/51/1078804051.db2.gz AFSOUQMXKXHZLV-ZDUSSCGKSA-N 1 1 413.902 2.573 20 0 HFADMO CC(C)N(C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001130057684 1078880935 /nfs/dbraw/zinc/88/09/35/1078880935.db2.gz LRJNFOLYYYSVEJ-FYYLOGMGSA-N 1 1 420.557 2.942 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000805098525 1078885535 /nfs/dbraw/zinc/88/55/35/1078885535.db2.gz IAXZSPQVGRNGSA-KDOFPFPSSA-N 1 1 401.429 2.644 20 0 HFADMO CCOC(=O)c1cc(S(=O)(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)ccc1F ZINC000805121192 1078920190 /nfs/dbraw/zinc/92/01/90/1078920190.db2.gz NKIGRMQJVDQLAM-GOSISDBHSA-N 1 1 412.458 2.723 20 0 HFADMO Cc1ccc(-n2ncc(C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)c2C(F)(F)F)cc1 ZINC000747231751 1078950696 /nfs/dbraw/zinc/95/06/96/1078950696.db2.gz NFLPGFFYSSUZPH-HZPDHXFCSA-N 1 1 408.424 2.793 20 0 HFADMO CS[C@@H]1CC[C@@H](NC(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000805159305 1078951429 /nfs/dbraw/zinc/95/14/29/1078951429.db2.gz LKGXTUDPZLPXRH-NJDAHSKKSA-N 1 1 402.608 2.872 20 0 HFADMO COc1ccc(-c2nc(C)c(C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)s2)cc1OC ZINC000747231814 1078951923 /nfs/dbraw/zinc/95/19/23/1078951923.db2.gz OUTBUWOEYYZAJI-HZPDHXFCSA-N 1 1 417.531 2.729 20 0 HFADMO CN(CCN(CC[NH+]1CCCC1)C(=O)C(C)(Cl)Cl)C(=O)C(C)(Cl)Cl ZINC000805202164 1078953121 /nfs/dbraw/zinc/95/31/21/1078953121.db2.gz NCRAGHUDRFWOAR-UHFFFAOYSA-N 1 1 421.196 2.757 20 0 HFADMO Cc1c(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cnn1-c1ccc(Br)cc1 ZINC000747231432 1078967185 /nfs/dbraw/zinc/96/71/85/1078967185.db2.gz KNFFVISDISQQDT-SJORKVTESA-N 1 1 419.323 2.536 20 0 HFADMO Cc1noc(C)c1CCCNC(=O)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000805199145 1078971337 /nfs/dbraw/zinc/97/13/37/1078971337.db2.gz XIMDYDHHLAJRFG-QHCPKHFHSA-N 1 1 412.534 2.511 20 0 HFADMO COCC(C)(C)[NH+]1CCN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)CC1 ZINC001130117314 1078987385 /nfs/dbraw/zinc/98/73/85/1078987385.db2.gz GUWDRCTVECSBJV-UHFFFAOYSA-N 1 1 415.559 2.861 20 0 HFADMO Cc1ncc(CCNC(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC000805220705 1078991533 /nfs/dbraw/zinc/99/15/33/1078991533.db2.gz AWWJCMWYOJHJPD-HXUWFJFHSA-N 1 1 413.591 2.596 20 0 HFADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1OCc1cn2ccccc2n1 ZINC000747236405 1078994116 /nfs/dbraw/zinc/99/41/16/1078994116.db2.gz MJOWJKAVDVWMLB-OALUTQOASA-N 1 1 406.486 2.506 20 0 HFADMO Cc1cccc(-n2ncc(C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)c2C(F)(F)F)c1 ZINC000747235900 1079004509 /nfs/dbraw/zinc/00/45/09/1079004509.db2.gz JDVFDYXMPDKMOA-HZPDHXFCSA-N 1 1 408.424 2.793 20 0 HFADMO CC(C)(C)C(=O)N1CCO[C@@H](C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)C1 ZINC001130139008 1079007746 /nfs/dbraw/zinc/00/77/46/1079007746.db2.gz LOSZYXYHRCQACW-CQSZACIVSA-N 1 1 408.568 2.512 20 0 HFADMO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000805285148 1079009473 /nfs/dbraw/zinc/00/94/73/1079009473.db2.gz BUEHBQQWQWIWSO-OAQYLSRUSA-N 1 1 416.566 2.517 20 0 HFADMO Cc1cc(=O)oc2cc(N(C)C(=O)CN3CC[NH+](Cc4ccccc4)CC3)ccc12 ZINC000805346236 1079027702 /nfs/dbraw/zinc/02/77/02/1079027702.db2.gz XKTGFNMBZJKLRZ-UHFFFAOYSA-N 1 1 405.498 2.882 20 0 HFADMO CC[NH+]1CCN(c2ccc(C(=O)OCCCC(=O)N3CCCCC3)cc2F)CC1 ZINC000805463912 1079085556 /nfs/dbraw/zinc/08/55/56/1079085556.db2.gz NQVZHTKLDLYLKR-UHFFFAOYSA-N 1 1 405.514 2.917 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1F ZINC000747246139 1079104045 /nfs/dbraw/zinc/10/40/45/1079104045.db2.gz AXUPSSZMOFYUAH-GASCZTMLSA-N 1 1 400.516 2.649 20 0 HFADMO CCCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)n1 ZINC001130225162 1079107832 /nfs/dbraw/zinc/10/78/32/1079107832.db2.gz VUGBBUSXQFWATB-FKSLSLAPSA-N 1 1 403.571 2.900 20 0 HFADMO CCCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)n[nH]1 ZINC001130225162 1079107833 /nfs/dbraw/zinc/10/78/33/1079107833.db2.gz VUGBBUSXQFWATB-FKSLSLAPSA-N 1 1 403.571 2.900 20 0 HFADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CCCc2ccc(Br)s2)CC1 ZINC000805526765 1079119198 /nfs/dbraw/zinc/11/91/98/1079119198.db2.gz MNEKNGWHKSCABN-ZDUSSCGKSA-N 1 1 417.369 2.929 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000747251934 1079127913 /nfs/dbraw/zinc/12/79/13/1079127913.db2.gz BADIYDBSIJENJQ-PCLFDXGNSA-N 1 1 402.516 2.762 20 0 HFADMO CCc1c(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1-c1ccc(OC)cc1 ZINC001130260031 1079150327 /nfs/dbraw/zinc/15/03/27/1079150327.db2.gz SBQWGQRRSNDBSW-YESZJQIVSA-N 1 1 400.523 2.671 20 0 HFADMO CCc1c(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1-c1ccc(OC)cc1 ZINC001130260031 1079150330 /nfs/dbraw/zinc/15/03/30/1079150330.db2.gz SBQWGQRRSNDBSW-YESZJQIVSA-N 1 1 400.523 2.671 20 0 HFADMO C[NH+]1CCN([C@H](CNS(=O)(=O)/C=C/c2ccc(F)cc2)c2cccs2)CC1 ZINC000747256788 1079189165 /nfs/dbraw/zinc/18/91/65/1079189165.db2.gz NFJXPJZMCMXLHI-ODHXBGJQSA-N 1 1 409.552 2.766 20 0 HFADMO Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001130300642 1079192116 /nfs/dbraw/zinc/19/21/16/1079192116.db2.gz BXHITWYTXGNIGR-RTBURBONSA-N 1 1 407.580 2.819 20 0 HFADMO COc1ccc(-n2c(C)nnc2SCC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC001130301073 1079192225 /nfs/dbraw/zinc/19/22/25/1079192225.db2.gz GRKVOPXWNNUGBA-MOPGFXCFSA-N 1 1 415.563 2.810 20 0 HFADMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC001130302215 1079194198 /nfs/dbraw/zinc/19/41/98/1079194198.db2.gz YFJIGPRLFHXZRR-PMACEKPBSA-N 1 1 405.489 2.950 20 0 HFADMO COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)cc1 ZINC000747263025 1079201019 /nfs/dbraw/zinc/20/10/19/1079201019.db2.gz JMRCTBUFZHDPOL-ICEKFOEVSA-N 1 1 418.515 2.890 20 0 HFADMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C1 ZINC000747260259 1079212432 /nfs/dbraw/zinc/21/24/32/1079212432.db2.gz CXQBVLYQVMUDDE-NSHDSACASA-N 1 1 409.335 2.790 20 0 HFADMO CCC[N@H+](C)[C@H](CNC(=O)N(C)CCS(=O)(=O)CC)c1ccc(Cl)cc1 ZINC000805752632 1079231050 /nfs/dbraw/zinc/23/10/50/1079231050.db2.gz IPCOCCLCMROQTE-QGZVFWFLSA-N 1 1 403.976 2.799 20 0 HFADMO CCC[N@@H+](C)[C@H](CNC(=O)N(C)CCS(=O)(=O)CC)c1ccc(Cl)cc1 ZINC000805752632 1079231059 /nfs/dbraw/zinc/23/10/59/1079231059.db2.gz IPCOCCLCMROQTE-QGZVFWFLSA-N 1 1 403.976 2.799 20 0 HFADMO CCOC(=O)N1CCC(NC(=O)C[N@@H+](C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000805793412 1079258293 /nfs/dbraw/zinc/25/82/93/1079258293.db2.gz YSUBZTKGJFNZLP-VQTJNVASSA-N 1 1 417.550 2.901 20 0 HFADMO COc1cc(CC(=O)OCC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)ccc1C ZINC000805767859 1079270445 /nfs/dbraw/zinc/27/04/45/1079270445.db2.gz IAVWZDDVHHFZEN-IBGZPJMESA-N 1 1 410.514 2.995 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000805763795 1079266088 /nfs/dbraw/zinc/26/60/88/1079266088.db2.gz PMKZWJMKJNBOQS-SJORKVTESA-N 1 1 422.522 2.924 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000805765668 1079266119 /nfs/dbraw/zinc/26/61/19/1079266119.db2.gz OBYXJONASRLXGY-GBESFXJTSA-N 1 1 409.571 2.926 20 0 HFADMO COC(=O)Nc1cccc(CNC(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000805815170 1079289166 /nfs/dbraw/zinc/28/91/66/1079289166.db2.gz LDLAEXFVTSFQMY-UHFFFAOYSA-N 1 1 412.494 2.740 20 0 HFADMO CNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC ZINC000805825597 1079294651 /nfs/dbraw/zinc/29/46/51/1079294651.db2.gz ZSCQWXNSKLZJMO-APWZRJJASA-N 1 1 419.522 2.578 20 0 HFADMO CNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC ZINC000805825597 1079294653 /nfs/dbraw/zinc/29/46/53/1079294653.db2.gz ZSCQWXNSKLZJMO-APWZRJJASA-N 1 1 419.522 2.578 20 0 HFADMO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000805826110 1079296146 /nfs/dbraw/zinc/29/61/46/1079296146.db2.gz POLOYZRNNSNHLI-QFBILLFUSA-N 1 1 419.522 2.578 20 0 HFADMO CNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000805826110 1079296148 /nfs/dbraw/zinc/29/61/48/1079296148.db2.gz POLOYZRNNSNHLI-QFBILLFUSA-N 1 1 419.522 2.578 20 0 HFADMO COCC[N@H+]1CCN(C(=O)CCCCCNC(=O)NC2CCCCC2)C(C)(C)C1 ZINC001130420822 1079340156 /nfs/dbraw/zinc/34/01/56/1079340156.db2.gz IJULNQPPADLHIP-UHFFFAOYSA-N 1 1 410.603 2.748 20 0 HFADMO COCC[N@@H+]1CCN(C(=O)c2cc(OC)c(OC)cc2Br)C(C)(C)C1 ZINC001130420812 1079340171 /nfs/dbraw/zinc/34/01/71/1079340171.db2.gz IGHHNPDOXQDNQE-UHFFFAOYSA-N 1 1 415.328 2.649 20 0 HFADMO COCC[N@H+]1CCN(C(=O)c2cc(OC)c(OC)cc2Br)C(C)(C)C1 ZINC001130420812 1079340175 /nfs/dbraw/zinc/34/01/75/1079340175.db2.gz IGHHNPDOXQDNQE-UHFFFAOYSA-N 1 1 415.328 2.649 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(Cl)cc1Cl ZINC000747276274 1079340180 /nfs/dbraw/zinc/34/01/80/1079340180.db2.gz FGTONUNPJVAWRM-QMTHXVAHSA-N 1 1 409.335 2.741 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000747281527 1079353153 /nfs/dbraw/zinc/35/31/53/1079353153.db2.gz KRCOMQOPCOOTJU-QGZVFWFLSA-N 1 1 420.506 2.755 20 0 HFADMO C[C@H](OCC(=O)OC[C@H]1C[N@@H+](Cc2ccccc2)CC(C)(C)O1)c1nccn1C ZINC000805923763 1079353596 /nfs/dbraw/zinc/35/35/96/1079353596.db2.gz PRFNAIFXYHMPGS-PKOBYXMFSA-N 1 1 401.507 2.721 20 0 HFADMO C[C@H](OC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)NCc1ccccn1 ZINC000805957299 1079374518 /nfs/dbraw/zinc/37/45/18/1079374518.db2.gz FBCACRPOIANXFX-KURKYZTESA-N 1 1 411.502 2.553 20 0 HFADMO CON(Cc1ccccc1)C(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000805971156 1079380754 /nfs/dbraw/zinc/38/07/54/1079380754.db2.gz NHAXUGVKLIBRMO-FRIKZZABSA-N 1 1 407.514 2.888 20 0 HFADMO C[C@@H]1CN(C(=O)CCCS(=O)(=O)N2CCCC2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001130458276 1079381615 /nfs/dbraw/zinc/38/16/15/1079381615.db2.gz KBRKYVWBKXSASK-VAMGGRTRSA-N 1 1 421.607 2.702 20 0 HFADMO Cn1ncc(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000806000899 1079396930 /nfs/dbraw/zinc/39/69/30/1079396930.db2.gz KUROCOYOFGZRRZ-WMLDXEAASA-N 1 1 410.444 2.716 20 0 HFADMO Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000806041985 1079410830 /nfs/dbraw/zinc/41/08/30/1079410830.db2.gz MPGLJZKSZZWDNN-UEVCKROQSA-N 1 1 423.557 2.656 20 0 HFADMO CN1CC[NH+](CCCOc2ccc(NC(=O)Cc3ccc4c(c3)OCO4)cc2)CC1 ZINC001130542490 1079462884 /nfs/dbraw/zinc/46/28/84/1079462884.db2.gz WRVMYMLBACRJBY-UHFFFAOYSA-N 1 1 411.502 2.613 20 0 HFADMO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000787335858 1076747062 /nfs/dbraw/zinc/74/70/62/1076747062.db2.gz VWOARKMIXJMFFG-RCCFBDPRSA-N 1 1 424.586 2.669 20 0 HFADMO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c1 ZINC000746676099 1076749421 /nfs/dbraw/zinc/74/94/21/1076749421.db2.gz SALMXYPCWCTTNG-KRWDZBQOSA-N 1 1 408.502 2.773 20 0 HFADMO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@H+]2CCC[C@@H](CC(N)=O)C2)c1 ZINC000746676099 1076749425 /nfs/dbraw/zinc/74/94/25/1076749425.db2.gz SALMXYPCWCTTNG-KRWDZBQOSA-N 1 1 408.502 2.773 20 0 HFADMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000746676202 1076750404 /nfs/dbraw/zinc/75/04/04/1076750404.db2.gz IEOYNXSHOABBAV-IEBWSBKVSA-N 1 1 412.534 2.616 20 0 HFADMO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000746675838 1076750840 /nfs/dbraw/zinc/75/08/40/1076750840.db2.gz PXEXXHHWESZDFQ-KRWDZBQOSA-N 1 1 411.502 2.652 20 0 HFADMO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](CC(N)=O)C2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000746675838 1076750848 /nfs/dbraw/zinc/75/08/48/1076750848.db2.gz PXEXXHHWESZDFQ-KRWDZBQOSA-N 1 1 411.502 2.652 20 0 HFADMO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000787313485 1076758979 /nfs/dbraw/zinc/75/89/79/1076758979.db2.gz ZLWZLEWABJBILU-PMACEKPBSA-N 1 1 421.900 2.579 20 0 HFADMO C[N@@H+](CCNC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)C1CCCC1 ZINC000787322590 1076765825 /nfs/dbraw/zinc/76/58/25/1076765825.db2.gz HMTUVRGWAHINSI-OAHLLOKOSA-N 1 1 405.543 2.738 20 0 HFADMO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)[C@H]1C ZINC000787324728 1076767805 /nfs/dbraw/zinc/76/78/05/1076767805.db2.gz CUDCASVRBIZQJD-PKOBYXMFSA-N 1 1 423.513 2.747 20 0 HFADMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)[C@H]1C ZINC000787324728 1076767814 /nfs/dbraw/zinc/76/78/14/1076767814.db2.gz CUDCASVRBIZQJD-PKOBYXMFSA-N 1 1 423.513 2.747 20 0 HFADMO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787353572 1076793732 /nfs/dbraw/zinc/79/37/32/1076793732.db2.gz VHTVTCVIBIBTCW-RTBURBONSA-N 1 1 416.566 2.713 20 0 HFADMO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787353572 1076793737 /nfs/dbraw/zinc/79/37/37/1076793737.db2.gz VHTVTCVIBIBTCW-RTBURBONSA-N 1 1 416.566 2.713 20 0 HFADMO C[C@@H]1CN(c2ccc(NC(=O)C[N@H+]3CC[C@@H](Cc4cnn(C)c4)C3)cc2)C[C@H](C)O1 ZINC000746679117 1076795336 /nfs/dbraw/zinc/79/53/36/1076795336.db2.gz OAVCRJANBZCFNQ-OTWHNJEPSA-N 1 1 411.550 2.537 20 0 HFADMO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000787488598 1076823124 /nfs/dbraw/zinc/82/31/24/1076823124.db2.gz YXYJQPBZEJUIBM-UHFFFAOYSA-N 1 1 417.922 2.956 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2Cc2ccccc2)cn1 ZINC000787489709 1076823624 /nfs/dbraw/zinc/82/36/24/1076823624.db2.gz MOCARDSSEBGGAF-OAQYLSRUSA-N 1 1 417.513 2.816 20 0 HFADMO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000746686769 1076829596 /nfs/dbraw/zinc/82/95/96/1076829596.db2.gz UDMPMHWIFXZEJG-XHSDSOJGSA-N 1 1 400.548 2.549 20 0 HFADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000746686769 1076829599 /nfs/dbraw/zinc/82/95/99/1076829599.db2.gz UDMPMHWIFXZEJG-XHSDSOJGSA-N 1 1 400.548 2.549 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)cn1 ZINC000787476933 1076837418 /nfs/dbraw/zinc/83/74/18/1076837418.db2.gz HTXACSVEJPKMNR-DYESRHJHSA-N 1 1 417.513 2.844 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cn1 ZINC000787477775 1076837786 /nfs/dbraw/zinc/83/77/86/1076837786.db2.gz KYNRJRVUOZOYKS-LJQANCHMSA-N 1 1 407.449 2.695 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@H]2Cc2cccc(F)c2)cn1 ZINC000787485011 1076842523 /nfs/dbraw/zinc/84/25/23/1076842523.db2.gz HBCOYWWQAHQXRD-FQEVSTJZSA-N 1 1 421.476 2.565 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(C)CC(C)(C)c2ccc(C)cc2)cn1 ZINC000787484517 1076843279 /nfs/dbraw/zinc/84/32/79/1076843279.db2.gz DQWLBMYKTJOXCU-UHFFFAOYSA-N 1 1 419.529 2.937 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC(C)(c3ccccc3)CC2)cn1 ZINC000787487079 1076843718 /nfs/dbraw/zinc/84/37/18/1076843718.db2.gz UUAXOCRWIJXKMN-UHFFFAOYSA-N 1 1 417.513 2.772 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCC(C)(C)c2ccccc2C)cn1 ZINC000787488280 1076844343 /nfs/dbraw/zinc/84/43/43/1076844343.db2.gz WARBQNVNDGUFKC-UHFFFAOYSA-N 1 1 405.502 2.594 20 0 HFADMO CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000787487659 1076844398 /nfs/dbraw/zinc/84/43/98/1076844398.db2.gz XKAXBUIUHUNGFX-UHFFFAOYSA-N 1 1 411.893 2.894 20 0 HFADMO CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C2CCC2)cc1 ZINC000787560270 1076864358 /nfs/dbraw/zinc/86/43/58/1076864358.db2.gz MCZIAFWILOPXOW-NRFANRHFSA-N 1 1 400.567 2.767 20 0 HFADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000787671573 1076906581 /nfs/dbraw/zinc/90/65/81/1076906581.db2.gz LYRWWMHIINYPQF-ROUUACIJSA-N 1 1 409.571 2.735 20 0 HFADMO C[N@@H+](CCCNC(=O)C(=O)NC1CCC(O)(c2ccccc2)CC1)C1CCCCC1 ZINC000787686779 1076911853 /nfs/dbraw/zinc/91/18/53/1076911853.db2.gz GNHMMIJOACHCDC-UHFFFAOYSA-N 1 1 415.578 2.704 20 0 HFADMO Cc1cccc(CN2CC[NH+]([C@H]3CN(C(=O)OC(C)(C)C)CC[C@@]3(C)O)CC2)c1 ZINC000787688975 1076912537 /nfs/dbraw/zinc/91/25/37/1076912537.db2.gz QIWZGZICMFFWQV-NZQKXSOJSA-N 1 1 403.567 2.873 20 0 HFADMO C[N@@H+]1CC[C@@H](NCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)[C@@H]1c1ccccc1 ZINC000787689542 1076913385 /nfs/dbraw/zinc/91/33/85/1076913385.db2.gz LKNOSDROOLGINY-UZLBHIALSA-N 1 1 412.559 2.699 20 0 HFADMO C[N@H+]1CC[C@@H](NCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)[C@@H]1c1ccccc1 ZINC000787689542 1076913393 /nfs/dbraw/zinc/91/33/93/1076913393.db2.gz LKNOSDROOLGINY-UZLBHIALSA-N 1 1 412.559 2.699 20 0 HFADMO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NCCC[N@H+]1CCc3ccccc3C1)CCC2 ZINC000787707292 1076919801 /nfs/dbraw/zinc/91/98/01/1076919801.db2.gz DAXQXGUJBIKJEE-IBGZPJMESA-N 1 1 412.559 2.510 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@H]([N@H+]2CCCN(C(=O)c3ccsc3)CC2)C1 ZINC000787710558 1076922224 /nfs/dbraw/zinc/92/22/24/1076922224.db2.gz LWOXMIFQLIVFJD-DYESRHJHSA-N 1 1 423.579 2.656 20 0 HFADMO C[C@H](c1cccnc1)N1CC[NH+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1 ZINC000787715226 1076923715 /nfs/dbraw/zinc/92/37/15/1076923715.db2.gz BWYNVIOLDNYTGJ-LZNRXBQRSA-N 1 1 404.555 2.521 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@](C)(C[N@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)C1 ZINC000787772142 1076942133 /nfs/dbraw/zinc/94/21/33/1076942133.db2.gz YGBLVKUERDCXOJ-XMSQKQJNSA-N 1 1 409.571 2.737 20 0 HFADMO CC[NH+]1CCN(CCCCNC(=O)NOCc2ccc(C(F)(F)F)cc2)CC1 ZINC000746712359 1077003647 /nfs/dbraw/zinc/00/36/47/1077003647.db2.gz JTYWBYLUKPINKD-UHFFFAOYSA-N 1 1 402.461 2.854 20 0 HFADMO C[C@@H](Cc1ccccc1F)NC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000787975338 1077015002 /nfs/dbraw/zinc/01/50/02/1077015002.db2.gz PEDILXADKRBWLH-UUOWRZLLSA-N 1 1 411.521 2.901 20 0 HFADMO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788004559 1077025991 /nfs/dbraw/zinc/02/59/91/1077025991.db2.gz WDIYIPDPZUVMTH-BDXSIMOUSA-N 1 1 411.587 2.667 20 0 HFADMO C[C@H](CNC(=O)C(=O)N(C)C1CCCCCCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000788009751 1077027494 /nfs/dbraw/zinc/02/74/94/1077027494.db2.gz FKYQAEFOJPFKIO-HXUWFJFHSA-N 1 1 414.594 2.885 20 0 HFADMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)[C@H](C)C1 ZINC000788038228 1077036545 /nfs/dbraw/zinc/03/65/45/1077036545.db2.gz YXRUOKHHJDYDIH-HUUCEWRRSA-N 1 1 412.987 2.812 20 0 HFADMO CN(CN1C(=O)C(=O)c2c1ccc(Br)c2Cl)[C@H]1CC[N@H+](C2CC2)C1 ZINC000788045082 1077039702 /nfs/dbraw/zinc/03/97/02/1077039702.db2.gz AVWLMMXSOGGMAE-NSHDSACASA-N 1 1 412.715 2.758 20 0 HFADMO Cc1cc(N2CCC[C@@H](OC(=O)c3ccccc3CN3CCOCC3)C2)nc(C)[nH+]1 ZINC000788087341 1077055136 /nfs/dbraw/zinc/05/51/36/1077055136.db2.gz QKXRWXVQPFRDQP-HXUWFJFHSA-N 1 1 410.518 2.751 20 0 HFADMO COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000746725649 1077055930 /nfs/dbraw/zinc/05/59/30/1077055930.db2.gz ZRTPRUKEGGDEGU-HNNXBMFYSA-N 1 1 422.327 2.867 20 0 HFADMO C[C@H](CNC(=O)CC1CCC2(CC1)OCCO2)[NH+]1CCN(c2ccccc2)CC1 ZINC000788092722 1077056489 /nfs/dbraw/zinc/05/64/89/1077056489.db2.gz OQTLFMACFLNOBV-LJQANCHMSA-N 1 1 401.551 2.637 20 0 HFADMO C[C@H](C(=O)O[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCc2ccccc21 ZINC000788137809 1077062682 /nfs/dbraw/zinc/06/26/82/1077062682.db2.gz NQRDZEMQTAARMF-DXIQSLLYSA-N 1 1 421.541 2.760 20 0 HFADMO CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)CC1CCC2(CC1)OCCO2 ZINC000788183008 1077068220 /nfs/dbraw/zinc/06/82/20/1077068220.db2.gz CBJPSLVERCAIGT-LJQANCHMSA-N 1 1 410.555 2.576 20 0 HFADMO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)CC1CCC2(CC1)OCCO2 ZINC000788183005 1077068248 /nfs/dbraw/zinc/06/82/48/1077068248.db2.gz CBJPSLVERCAIGT-IBGZPJMESA-N 1 1 410.555 2.576 20 0 HFADMO COc1cc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cnc1Br ZINC000788152673 1077069531 /nfs/dbraw/zinc/06/95/31/1077069531.db2.gz WUPBADWZJLJPIX-UHFFFAOYSA-N 1 1 412.328 2.618 20 0 HFADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cnc(Br)c(OC)c2)[C@H](C)C1 ZINC000788222038 1077082643 /nfs/dbraw/zinc/08/26/43/1077082643.db2.gz HIRKKHDGICVCMM-HIFRSBDPSA-N 1 1 414.344 2.720 20 0 HFADMO Cc1sc(Br)nc1C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000788282053 1077097014 /nfs/dbraw/zinc/09/70/14/1077097014.db2.gz OGISLLWOYHDPAJ-UHFFFAOYSA-N 1 1 423.380 2.891 20 0 HFADMO CC[C@@]1(C2CC2)NC(=O)N(C[NH+]2CCC(COc3ccc(Cl)nc3)CC2)C1=O ZINC000788367651 1077128754 /nfs/dbraw/zinc/12/87/54/1077128754.db2.gz UTYAAQLPZBDRIV-FQEVSTJZSA-N 1 1 406.914 2.894 20 0 HFADMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cc3n(n2)CCC[C@H]3NC(=O)OC(C)(C)C)C1 ZINC001626111931 1077136417 /nfs/dbraw/zinc/13/64/17/1077136417.db2.gz SWXBEXAJVAACGW-JKSUJKDBSA-N 1 1 405.543 2.704 20 0 HFADMO C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000788459618 1077166367 /nfs/dbraw/zinc/16/63/67/1077166367.db2.gz BKSGYFRUCHXUIJ-GOSISDBHSA-N 1 1 401.507 2.908 20 0 HFADMO COc1ccc([C@@H](NC(=O)C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)C(C)C)cc1 ZINC000788473274 1077171075 /nfs/dbraw/zinc/17/10/75/1077171075.db2.gz UVRGDSCZOLKOKI-LEWJYISDSA-N 1 1 400.523 2.677 20 0 HFADMO C[C@H](CS(C)(=O)=O)[N@@H+](CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1 ZINC000788480462 1077174644 /nfs/dbraw/zinc/17/46/44/1077174644.db2.gz JZAUONSVKZFRDC-QGZVFWFLSA-N 1 1 408.564 2.933 20 0 HFADMO CC(C)[C@@H](C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1)N1CCN(C)CC1 ZINC000788518783 1077189363 /nfs/dbraw/zinc/18/93/63/1077189363.db2.gz LJWYHDKIWRTXFX-IFMALSPDSA-N 1 1 402.583 2.902 20 0 HFADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCCSC(F)(F)F ZINC000788541520 1077194705 /nfs/dbraw/zinc/19/47/05/1077194705.db2.gz DSNOCDIREYMBLC-HNNXBMFYSA-N 1 1 417.497 2.773 20 0 HFADMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000788564583 1077200534 /nfs/dbraw/zinc/20/05/34/1077200534.db2.gz SRLRRRDEGXLZLO-KBAYOESNSA-N 1 1 409.452 2.764 20 0 HFADMO COC(=O)c1sc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(C)c1Cl ZINC000788651609 1077226781 /nfs/dbraw/zinc/22/67/81/1077226781.db2.gz JLJVVBZELOBGNM-RYUDHWBXSA-N 1 1 406.957 2.601 20 0 HFADMO CCC(C)(C)c1ccc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000790926770 1077235534 /nfs/dbraw/zinc/23/55/34/1077235534.db2.gz SGLLEVUUKFZCMR-NRFANRHFSA-N 1 1 414.594 2.941 20 0 HFADMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)[C@H](C)C1 ZINC000788634460 1077239900 /nfs/dbraw/zinc/23/99/00/1077239900.db2.gz JYRVIDDYPJQETN-ZYHUDNBSSA-N 1 1 408.973 2.847 20 0 HFADMO CN(C(=O)NCCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788688650 1077251498 /nfs/dbraw/zinc/25/14/98/1077251498.db2.gz CVAKHLMABUXAFZ-JOCHJYFZSA-N 1 1 408.546 2.951 20 0 HFADMO Cc1nn(C)c2nc(Cl)c(C[NH2+][C@H]3CCN(Cc4ccc(F)cc4)C3=O)cc12 ZINC000791008427 1077266698 /nfs/dbraw/zinc/26/66/98/1077266698.db2.gz UQHXLROLGDZSOM-KRWDZBQOSA-N 1 1 401.873 2.960 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000790973014 1077267927 /nfs/dbraw/zinc/26/79/27/1077267927.db2.gz DNGFJYNSHDNWIW-KRWDZBQOSA-N 1 1 403.914 2.701 20 0 HFADMO O=C(NCc1ccccc1)C1CC[NH+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)CC1 ZINC000788769398 1077282503 /nfs/dbraw/zinc/28/25/03/1077282503.db2.gz NYVPBLQYYWHVCM-QFIPXVFZSA-N 1 1 419.525 2.590 20 0 HFADMO CC(C)(NC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(OC(F)(F)F)cc1 ZINC000788777630 1077298759 /nfs/dbraw/zinc/29/87/59/1077298759.db2.gz KWJZDYZESQBGSI-GDBMZVCRSA-N 1 1 401.429 2.983 20 0 HFADMO COC[C@]1(C)NC(=O)N(C[N@@H+](Cc2cccc(Br)c2)CC2CC2)C1=O ZINC000788782178 1077300260 /nfs/dbraw/zinc/30/02/60/1077300260.db2.gz ZJZXTHQCAURXGB-SFHVURJKSA-N 1 1 410.312 2.576 20 0 HFADMO COC[C@]1(C)NC(=O)N(C[N@H+](Cc2cccc(Br)c2)CC2CC2)C1=O ZINC000788782178 1077300264 /nfs/dbraw/zinc/30/02/64/1077300264.db2.gz ZJZXTHQCAURXGB-SFHVURJKSA-N 1 1 410.312 2.576 20 0 HFADMO Cc1[nH+]ccn1CCCC(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000791115531 1077302177 /nfs/dbraw/zinc/30/21/77/1077302177.db2.gz AXWLMAYVTIKDRH-UHFFFAOYSA-N 1 1 403.426 2.710 20 0 HFADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000788814716 1077306616 /nfs/dbraw/zinc/30/66/16/1077306616.db2.gz UDYNBDKOSHBWPT-LEWJYISDSA-N 1 1 400.567 2.797 20 0 HFADMO C[C@@H](CNC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2)[N@@H+]1CCc2sccc2C1 ZINC000788823328 1077309726 /nfs/dbraw/zinc/30/97/26/1077309726.db2.gz LSIGPOLMLIXQKT-HOCLYGCPSA-N 1 1 405.564 2.868 20 0 HFADMO C[C@@H](CNC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2)[N@H+]1CCc2sccc2C1 ZINC000788823328 1077309732 /nfs/dbraw/zinc/30/97/32/1077309732.db2.gz LSIGPOLMLIXQKT-HOCLYGCPSA-N 1 1 405.564 2.868 20 0 HFADMO C[N@@H+](C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)[C@@H](CCO)c1ccccc1 ZINC000788847047 1077318456 /nfs/dbraw/zinc/31/84/56/1077318456.db2.gz PDRCRONXIGCOFV-QUCCMNQESA-N 1 1 419.566 2.805 20 0 HFADMO C[C@@H](C(=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1)[NH+]1CCSCC1 ZINC000791233008 1077338363 /nfs/dbraw/zinc/33/83/63/1077338363.db2.gz PVFTZRQYZFOQBQ-AWEZNQCLSA-N 1 1 418.481 2.833 20 0 HFADMO Cc1cccc(C2N=NC(=S)N2CCC(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)c1 ZINC000791257547 1077349646 /nfs/dbraw/zinc/34/96/46/1077349646.db2.gz HLQNXDBYTFLXNM-DLBZAZTESA-N 1 1 403.527 2.577 20 0 HFADMO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000791259028 1077350167 /nfs/dbraw/zinc/35/01/67/1077350167.db2.gz MICWEZRDIFWBEI-GBESFXJTSA-N 1 1 405.514 2.767 20 0 HFADMO COc1ccc2c(C)c(CCC(=O)N3CC[C@H]([NH+]4CCC4)[C@@H](F)C3)c(=O)oc2c1 ZINC000791260304 1077350905 /nfs/dbraw/zinc/35/09/05/1077350905.db2.gz UKJHNIMIXYUGPE-OALUTQOASA-N 1 1 402.466 2.687 20 0 HFADMO C[N@H+](CC(=O)OCc1cn(-c2ccccc2Br)nn1)[C@@H]1CCSC1 ZINC000791278350 1077367534 /nfs/dbraw/zinc/36/75/34/1077367534.db2.gz HJEJAVVLYMTBOP-CYBMUJFWSA-N 1 1 411.325 2.510 20 0 HFADMO C[N@@H+](CC(=O)OCc1cn(-c2ccccc2Br)nn1)[C@@H]1CCSC1 ZINC000791278350 1077367541 /nfs/dbraw/zinc/36/75/41/1077367541.db2.gz HJEJAVVLYMTBOP-CYBMUJFWSA-N 1 1 411.325 2.510 20 0 HFADMO Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)c3cc(C(C)C)nn3C)CC2)cc1 ZINC000747003692 1077373732 /nfs/dbraw/zinc/37/37/32/1077373732.db2.gz AGMAXUPHELMPMJ-UHFFFAOYSA-N 1 1 412.534 2.743 20 0 HFADMO Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2=O)cc1 ZINC000791311465 1077382745 /nfs/dbraw/zinc/38/27/45/1077382745.db2.gz MYDNLXJHOCXHSD-RREGXIAVSA-N 1 1 401.532 2.878 20 0 HFADMO COc1ccccc1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000747010418 1077399959 /nfs/dbraw/zinc/39/99/59/1077399959.db2.gz CMRILFKKJKNBRY-IBGZPJMESA-N 1 1 419.485 2.757 20 0 HFADMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[C@H](O)c3cccc(F)c3)C2)cc(OC)c1 ZINC000772774408 1077406820 /nfs/dbraw/zinc/40/68/20/1077406820.db2.gz RCEIBWQGMGDXGJ-NQIIRXRSSA-N 1 1 402.466 2.657 20 0 HFADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)C[C@H](O)c3cccc(F)c3)C2)cc(OC)c1 ZINC000772774408 1077406822 /nfs/dbraw/zinc/40/68/22/1077406822.db2.gz RCEIBWQGMGDXGJ-NQIIRXRSSA-N 1 1 402.466 2.657 20 0 HFADMO Cc1nc(CC2CC2)oc1C(=O)OCC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000789137119 1077409817 /nfs/dbraw/zinc/40/98/17/1077409817.db2.gz JUBKXTXPOLRCFY-KRWDZBQOSA-N 1 1 411.502 2.998 20 0 HFADMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](CCS(=O)(=O)Cc3ccccc3)C2)n1 ZINC000791474002 1077445441 /nfs/dbraw/zinc/44/54/41/1077445441.db2.gz VBPGJPFPIUMILD-LJQANCHMSA-N 1 1 401.532 2.656 20 0 HFADMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](CCS(=O)(=O)Cc3ccccc3)C2)n1 ZINC000791474002 1077445443 /nfs/dbraw/zinc/44/54/43/1077445443.db2.gz VBPGJPFPIUMILD-LJQANCHMSA-N 1 1 401.532 2.656 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCCC[N@@H+](C)Cc3ccccc3)C2)c1 ZINC000791474737 1077446132 /nfs/dbraw/zinc/44/61/32/1077446132.db2.gz HTIJEHHOEFAMCU-QFIPXVFZSA-N 1 1 411.502 2.835 20 0 HFADMO C[C@H]1C[N@@H+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@@H](C2CC2)O1 ZINC000791552549 1077475610 /nfs/dbraw/zinc/47/56/10/1077475610.db2.gz IFERVALRWJSLHT-FIRPJDEBSA-N 1 1 404.551 2.983 20 0 HFADMO COc1cccc(C2=NO[C@H](C(=O)N[C@@H](C)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C2)c1 ZINC000791603650 1077501533 /nfs/dbraw/zinc/50/15/33/1077501533.db2.gz GXWCUHYMGQBGFC-RTFZILSDSA-N 1 1 423.513 2.594 20 0 HFADMO COc1cccc(C2=NO[C@H](C(=O)N[C@@H](C)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)c1 ZINC000791603650 1077501537 /nfs/dbraw/zinc/50/15/37/1077501537.db2.gz GXWCUHYMGQBGFC-RTFZILSDSA-N 1 1 423.513 2.594 20 0 HFADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)[C@H]2CC(=O)c3ccccc32)CC1 ZINC000789299905 1077505391 /nfs/dbraw/zinc/50/53/91/1077505391.db2.gz CUQNJGIJMBXLLP-UTKZUKDTSA-N 1 1 406.482 2.805 20 0 HFADMO CCOc1nc(C)ccc1C(=O)O[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000791647604 1077510436 /nfs/dbraw/zinc/51/04/36/1077510436.db2.gz HEPAEJQRFLVJLJ-PKOBYXMFSA-N 1 1 411.502 2.725 20 0 HFADMO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000791648108 1077510793 /nfs/dbraw/zinc/51/07/93/1077510793.db2.gz QOVYIGJBBPIBMU-SOLBZPMBSA-N 1 1 409.324 2.512 20 0 HFADMO CS(=O)(=O)c1ccc([C@@H](O)CN2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000789355210 1077515420 /nfs/dbraw/zinc/51/54/20/1077515420.db2.gz BTBGPWAHQTXJEZ-FQEVSTJZSA-N 1 1 403.548 2.536 20 0 HFADMO CC[C@@H](C)n1ncc(C(=O)OCC(=O)N2CC[NH+](Cc3ccccc3C)CC2)c1C ZINC000791664333 1077517334 /nfs/dbraw/zinc/51/73/34/1077517334.db2.gz NRWXARKRCXSOIL-GOSISDBHSA-N 1 1 412.534 2.972 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)CCn2c(=O)oc3cc(Cl)ccc32)CC1 ZINC000791628035 1077519046 /nfs/dbraw/zinc/51/90/46/1077519046.db2.gz GIMZVTOIZXYOOQ-UHFFFAOYSA-N 1 1 409.914 2.597 20 0 HFADMO CCOC(=O)Nc1ccc2c(C[N@@H+](C)CCN3CCOC(C)(C)C3)cc(=O)oc2c1 ZINC000789329759 1077523186 /nfs/dbraw/zinc/52/31/86/1077523186.db2.gz AWTOIHCOBNAQKD-UHFFFAOYSA-N 1 1 417.506 2.904 20 0 HFADMO CCOC(=O)Nc1ccc2c(CN(C)CC[N@@H+]3CCOC(C)(C)C3)cc(=O)oc2c1 ZINC000789329759 1077523188 /nfs/dbraw/zinc/52/31/88/1077523188.db2.gz AWTOIHCOBNAQKD-UHFFFAOYSA-N 1 1 417.506 2.904 20 0 HFADMO CCOC(=O)Nc1ccc2c(CN(C)CC[N@H+]3CCOC(C)(C)C3)cc(=O)oc2c1 ZINC000789329759 1077523190 /nfs/dbraw/zinc/52/31/90/1077523190.db2.gz AWTOIHCOBNAQKD-UHFFFAOYSA-N 1 1 417.506 2.904 20 0 HFADMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000746803545 1077539416 /nfs/dbraw/zinc/53/94/16/1077539416.db2.gz MPQLWFIPWHAVNX-JTQLQIEISA-N 1 1 405.367 2.511 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000789364276 1077539754 /nfs/dbraw/zinc/53/97/54/1077539754.db2.gz LGONVLUQDZBTFA-LSTHTHJFSA-N 1 1 401.507 2.806 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000789364276 1077539764 /nfs/dbraw/zinc/53/97/64/1077539764.db2.gz LGONVLUQDZBTFA-LSTHTHJFSA-N 1 1 401.507 2.806 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000789365469 1077540133 /nfs/dbraw/zinc/54/01/33/1077540133.db2.gz RNXRMLIQEGUEJB-UZLBHIALSA-N 1 1 409.486 2.756 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000789365469 1077540140 /nfs/dbraw/zinc/54/01/40/1077540140.db2.gz RNXRMLIQEGUEJB-UZLBHIALSA-N 1 1 409.486 2.756 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[C@@H](Cc3ccccc3)[C@H]2C)cn1 ZINC000746810647 1077553602 /nfs/dbraw/zinc/55/36/02/1077553602.db2.gz OADLVWDELSWKKH-APWZRJJASA-N 1 1 403.486 2.994 20 0 HFADMO CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000791828353 1077576153 /nfs/dbraw/zinc/57/61/53/1077576153.db2.gz MRBPXELHKWJRFT-KRWDZBQOSA-N 1 1 404.507 2.871 20 0 HFADMO COC(=O)C1=C(C[N@H+]2CCC[C@@]2(CO)CC(C)C)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000789504097 1077598552 /nfs/dbraw/zinc/59/85/52/1077598552.db2.gz LTZBCUAOBIAHNG-REWPJTCUSA-N 1 1 415.534 2.683 20 0 HFADMO CCOC(=O)C1=C(C[NH2+]C(C)(C)c2ccc(OC(F)(F)F)cc2)NC(=O)N[C@@H]1C ZINC000789513143 1077604747 /nfs/dbraw/zinc/60/47/47/1077604747.db2.gz HNHUGRZTYUYJCM-LLVKDONJSA-N 1 1 415.412 2.928 20 0 HFADMO CCNC(=O)C[C@H]1CCCC[N@@H+]1CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O ZINC000789518731 1077612902 /nfs/dbraw/zinc/61/29/02/1077612902.db2.gz HKZJEFQYXKQWPN-KZULUSFZSA-N 1 1 412.943 2.507 20 0 HFADMO CCNC(=O)C[C@H]1CCCC[N@H+]1CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O ZINC000789518731 1077612904 /nfs/dbraw/zinc/61/29/04/1077612904.db2.gz HKZJEFQYXKQWPN-KZULUSFZSA-N 1 1 412.943 2.507 20 0 HFADMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC000791974691 1077615993 /nfs/dbraw/zinc/61/59/93/1077615993.db2.gz FGZDQFBJQZXDQF-FPOVZHCZSA-N 1 1 418.497 2.635 20 0 HFADMO C[C@]1(c2ccccc2Br)NC(=O)N(C[N@@H+]2CC[C@]3(C2)CCCOC3)C1=O ZINC000789538487 1077633529 /nfs/dbraw/zinc/63/35/29/1077633529.db2.gz CBLYZBZGRMBHQG-MOPGFXCFSA-N 1 1 422.323 2.676 20 0 HFADMO C[C@]1(c2ccccc2Br)NC(=O)N(C[N@H+]2CC[C@]3(C2)CCCOC3)C1=O ZINC000789538487 1077633534 /nfs/dbraw/zinc/63/35/34/1077633534.db2.gz CBLYZBZGRMBHQG-MOPGFXCFSA-N 1 1 422.323 2.676 20 0 HFADMO COc1ccc(CN(C)C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000792021780 1077653527 /nfs/dbraw/zinc/65/35/27/1077653527.db2.gz LCJABLXCBXVVJX-UHFFFAOYSA-N 1 1 421.538 2.605 20 0 HFADMO CCOc1ccc(CN(C)C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000792021361 1077654324 /nfs/dbraw/zinc/65/43/24/1077654324.db2.gz IUCQHAIGNWCWKR-UHFFFAOYSA-N 1 1 405.539 2.987 20 0 HFADMO COc1ccc([C@@H](C)NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1F ZINC000792025151 1077656288 /nfs/dbraw/zinc/65/62/88/1077656288.db2.gz JUYWICPDOUNVLD-OAHLLOKOSA-N 1 1 409.502 2.954 20 0 HFADMO Cc1csc([C@@](O)(CC(=O)NCC[N@@H+]2CCc3sccc3C2)C(F)(F)F)n1 ZINC000746831567 1077675213 /nfs/dbraw/zinc/67/52/13/1077675213.db2.gz KOKOBERUZJKPEP-INIZCTEOSA-N 1 1 419.494 2.828 20 0 HFADMO Cc1csc([C@@](O)(CC(=O)NCC[N@H+]2CCc3sccc3C2)C(F)(F)F)n1 ZINC000746831567 1077675218 /nfs/dbraw/zinc/67/52/18/1077675218.db2.gz KOKOBERUZJKPEP-INIZCTEOSA-N 1 1 419.494 2.828 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2cnn(Cc3ccccc3)c2)CC1 ZINC000792074802 1077680953 /nfs/dbraw/zinc/68/09/53/1077680953.db2.gz FSFKKSDCEBZBJK-UHFFFAOYSA-N 1 1 413.522 2.813 20 0 HFADMO CN(CCOc1ccccc1F)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792034307 1077685792 /nfs/dbraw/zinc/68/57/92/1077685792.db2.gz XHMRJLKZFVAZRR-UHFFFAOYSA-N 1 1 409.502 2.606 20 0 HFADMO C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792034054 1077686332 /nfs/dbraw/zinc/68/63/32/1077686332.db2.gz PLJGTCSZKBUSIW-HUUCEWRRSA-N 1 1 422.492 2.912 20 0 HFADMO Cc1nccn1-c1ncccc1CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792046490 1077692325 /nfs/dbraw/zinc/69/23/25/1077692325.db2.gz KPNLLBQGNFSVFR-HXUWFJFHSA-N 1 1 404.518 2.897 20 0 HFADMO C[C@H](CNC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)NC(=O)OC(C)(C)C ZINC000792048517 1077693298 /nfs/dbraw/zinc/69/32/98/1077693298.db2.gz WLBACSMBQHAKCT-IAGOWNOFSA-N 1 1 420.554 2.620 20 0 HFADMO C[C@H](CNC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)NC(=O)OC(C)(C)C ZINC000792048517 1077693301 /nfs/dbraw/zinc/69/33/01/1077693301.db2.gz WLBACSMBQHAKCT-IAGOWNOFSA-N 1 1 420.554 2.620 20 0 HFADMO CC(C)(C)c1ncsc1C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000747057897 1077702261 /nfs/dbraw/zinc/70/22/61/1077702261.db2.gz RFHMXWZWQUUGPY-UHFFFAOYSA-N 1 1 401.532 2.942 20 0 HFADMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792080923 1077706688 /nfs/dbraw/zinc/70/66/88/1077706688.db2.gz GKDLOEWWQBUZCA-SFHVURJKSA-N 1 1 410.603 2.556 20 0 HFADMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2nc(Br)ccc2F)C[C@@H](C)O1 ZINC000792087103 1077710589 /nfs/dbraw/zinc/71/05/89/1077710589.db2.gz YHWMHTPAVIMRKV-JHJVBQTASA-N 1 1 400.292 2.697 20 0 HFADMO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CO[NH+]=C(N)CCNC(=O)OC(C)(C)C ZINC000789651421 1077719687 /nfs/dbraw/zinc/71/96/87/1077719687.db2.gz HBCRBWDUXMKPMT-LBPRGKRZSA-N 1 1 414.453 2.897 20 0 HFADMO O=C(N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)C(F)(F)C1(O)CCCCC1 ZINC001157460260 1077720603 /nfs/dbraw/zinc/72/06/03/1077720603.db2.gz MIEZIQGPJKUUCO-HXUWFJFHSA-N 1 1 421.532 2.736 20 0 HFADMO CCOc1cc(CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)ccc1OC ZINC000792176477 1077735111 /nfs/dbraw/zinc/73/51/11/1077735111.db2.gz SOEUQAQHDSXWPS-UHFFFAOYSA-N 1 1 421.538 2.653 20 0 HFADMO COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000792177666 1077735542 /nfs/dbraw/zinc/73/55/42/1077735542.db2.gz FYORQHOVKXGHTI-ZIBCJSCZSA-N 1 1 414.550 2.627 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N[C@H]2C[C@@H]2c2c(F)cccc2F)CC1 ZINC000792178708 1077736319 /nfs/dbraw/zinc/73/63/19/1077736319.db2.gz NXVKFGKOILVYPD-YOEHRIQHSA-N 1 1 409.477 2.880 20 0 HFADMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000746842736 1077737894 /nfs/dbraw/zinc/73/78/94/1077737894.db2.gz YYEAQUJXRABKIF-CRAIPNDOSA-N 1 1 418.538 2.578 20 0 HFADMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000746842736 1077737899 /nfs/dbraw/zinc/73/78/99/1077737899.db2.gz YYEAQUJXRABKIF-CRAIPNDOSA-N 1 1 418.538 2.578 20 0 HFADMO COCCOC(=O)c1sc2[nH]c(C[N@@H+]3CCC[C@@H]3C3CCC3)nc(=O)c2c1C ZINC000772743373 1077739304 /nfs/dbraw/zinc/73/93/04/1077739304.db2.gz VBEFLJUQLCOJLJ-CQSZACIVSA-N 1 1 405.520 2.861 20 0 HFADMO COCCOC(=O)c1sc2[nH]c(C[N@H+]3CCC[C@@H]3C3CCC3)nc(=O)c2c1C ZINC000772743373 1077739309 /nfs/dbraw/zinc/73/93/09/1077739309.db2.gz VBEFLJUQLCOJLJ-CQSZACIVSA-N 1 1 405.520 2.861 20 0 HFADMO C[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(F)cc2O1 ZINC000792199004 1077743111 /nfs/dbraw/zinc/74/31/11/1077743111.db2.gz GTTFIHPJICAHKJ-HNNXBMFYSA-N 1 1 407.486 2.882 20 0 HFADMO CC[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1c(C)nn(C)c1C ZINC000792200315 1077743442 /nfs/dbraw/zinc/74/34/42/1077743442.db2.gz WFHNXZZQJSKEBP-KRWDZBQOSA-N 1 1 407.559 2.547 20 0 HFADMO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792202509 1077744188 /nfs/dbraw/zinc/74/41/88/1077744188.db2.gz LJKVHMJXGNOYOD-WBVHZDCISA-N 1 1 403.475 2.652 20 0 HFADMO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792202509 1077744194 /nfs/dbraw/zinc/74/41/94/1077744194.db2.gz LJKVHMJXGNOYOD-WBVHZDCISA-N 1 1 403.475 2.652 20 0 HFADMO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792202503 1077744217 /nfs/dbraw/zinc/74/42/17/1077744217.db2.gz LJKVHMJXGNOYOD-DOTOQJQBSA-N 1 1 403.475 2.652 20 0 HFADMO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792202503 1077744227 /nfs/dbraw/zinc/74/42/27/1077744227.db2.gz LJKVHMJXGNOYOD-DOTOQJQBSA-N 1 1 403.475 2.652 20 0 HFADMO COC(=O)c1cc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)ccc1C ZINC000792208697 1077746907 /nfs/dbraw/zinc/74/69/07/1077746907.db2.gz WNWXZVUCROCZBX-UHFFFAOYSA-N 1 1 405.495 2.663 20 0 HFADMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](C[C@H]2CC3(CCC3)C(=O)O2)C(C)C)cc1 ZINC000792221781 1077747402 /nfs/dbraw/zinc/74/74/02/1077747402.db2.gz OSAVJBCLHQEZAH-AZUAARDMSA-N 1 1 404.507 2.581 20 0 HFADMO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C(C)C)cc1 ZINC000792221783 1077747536 /nfs/dbraw/zinc/74/75/36/1077747536.db2.gz OSAVJBCLHQEZAH-QUCCMNQESA-N 1 1 404.507 2.581 20 0 HFADMO CN(Cc1cnn(-c2ccccc2)n1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792223953 1077749480 /nfs/dbraw/zinc/74/94/80/1077749480.db2.gz AVBOGVBKERBXCV-FQEVSTJZSA-N 1 1 404.518 2.931 20 0 HFADMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000792226268 1077751775 /nfs/dbraw/zinc/75/17/75/1077751775.db2.gz PKQOQDCLDXUODO-HBMCJLEFSA-N 1 1 413.518 2.636 20 0 HFADMO C[C@H](Cc1ccc(O)cc1)N(C)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792236490 1077758534 /nfs/dbraw/zinc/75/85/34/1077758534.db2.gz NJZNFEZALOJCDV-QGZVFWFLSA-N 1 1 405.539 2.724 20 0 HFADMO C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000792279022 1077772622 /nfs/dbraw/zinc/77/26/22/1077772622.db2.gz QBIBUXKDGFBSBP-HYDGNGQDSA-N 1 1 423.579 2.544 20 0 HFADMO CCc1c(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cnn1CC(C)C ZINC000792276242 1077791545 /nfs/dbraw/zinc/79/15/45/1077791545.db2.gz SSHMHLJDADHRKE-UHFFFAOYSA-N 1 1 407.559 2.983 20 0 HFADMO COc1cccc(C2=CCN(C(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000792301539 1077796296 /nfs/dbraw/zinc/79/62/96/1077796296.db2.gz CQERBFZKHLQVML-UHFFFAOYSA-N 1 1 415.534 2.864 20 0 HFADMO COc1ccc(C(=O)OCC[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000789792392 1077798598 /nfs/dbraw/zinc/79/85/98/1077798598.db2.gz SAMBZSVNZQCFDU-UHFFFAOYSA-N 1 1 408.495 2.803 20 0 HFADMO COc1ccc(C(=O)OCC[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000789792392 1077798603 /nfs/dbraw/zinc/79/86/03/1077798603.db2.gz SAMBZSVNZQCFDU-UHFFFAOYSA-N 1 1 408.495 2.803 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[N@H+](CCOC(=O)[C@H]2CCCN2c2nccs2)CC1 ZINC000789791895 1077798612 /nfs/dbraw/zinc/79/86/12/1077798612.db2.gz KAAIPEJELWTZOD-MRXNPFEDSA-N 1 1 424.567 2.598 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[N@@H+](CCOC(=O)[C@H]2CCCN2c2nccs2)CC1 ZINC000789791895 1077798619 /nfs/dbraw/zinc/79/86/19/1077798619.db2.gz KAAIPEJELWTZOD-MRXNPFEDSA-N 1 1 424.567 2.598 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC000792330006 1077809827 /nfs/dbraw/zinc/80/98/27/1077809827.db2.gz SLXLGZLCPDFOAH-PMACEKPBSA-N 1 1 417.550 2.966 20 0 HFADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)Nc1cc(-c2ccccc2)ccc1Cl ZINC000792339460 1077825870 /nfs/dbraw/zinc/82/58/70/1077825870.db2.gz ABQATRJWFUXQRW-MSOLQXFVSA-N 1 1 413.905 2.925 20 0 HFADMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1nc(Br)ccc1F ZINC000792342468 1077827099 /nfs/dbraw/zinc/82/70/99/1077827099.db2.gz SXYTYRZWWOINJA-IBGZPJMESA-N 1 1 422.298 2.692 20 0 HFADMO C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000792387950 1077830470 /nfs/dbraw/zinc/83/04/70/1077830470.db2.gz OTFKICKMTRFKLQ-PBHICJAKSA-N 1 1 412.456 2.566 20 0 HFADMO COc1cc(CC(=O)N2CC[NH+](Cc3cccc4cccnc43)CC2)cc(OC)c1O ZINC000789880495 1077833703 /nfs/dbraw/zinc/83/37/03/1077833703.db2.gz CEIHDJDFDDVXEM-UHFFFAOYSA-N 1 1 421.497 2.845 20 0 HFADMO CCC[C@@H](NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1)[C@@H](O)c1ccccc1 ZINC000792405269 1077838197 /nfs/dbraw/zinc/83/81/97/1077838197.db2.gz HWKVJEPBVKXGLS-QUCCMNQESA-N 1 1 407.474 2.533 20 0 HFADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC000746859832 1077844716 /nfs/dbraw/zinc/84/47/16/1077844716.db2.gz VRHKFHVGPAKNCE-OALUTQOASA-N 1 1 418.582 2.816 20 0 HFADMO CCOC(=O)C1=C(C[N@@H+](CCOC)[C@@H]2CC[C@@H](C)C2)NC(=O)N[C@@H]1c1ccco1 ZINC000792466635 1077859946 /nfs/dbraw/zinc/85/99/46/1077859946.db2.gz ZYCGSJDCPMRDDQ-SPYBWZPUSA-N 1 1 405.495 2.588 20 0 HFADMO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)c1nnnn1C1CC1 ZINC000792470354 1077871869 /nfs/dbraw/zinc/87/18/69/1077871869.db2.gz REAMJARTJPKFCG-JOYOIKCWSA-N 1 1 416.707 2.514 20 0 HFADMO COC[C@@H](Cc1ccccc1)N(C)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792478175 1077875085 /nfs/dbraw/zinc/87/50/85/1077875085.db2.gz IKIUIECFNBXWMF-HXUWFJFHSA-N 1 1 419.566 2.645 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CC3(CCCC3)OC(C)(C)C2)CC1 ZINC000792480159 1077875630 /nfs/dbraw/zinc/87/56/30/1077875630.db2.gz VHPCMEIQKFCUHL-UHFFFAOYSA-N 1 1 409.571 2.879 20 0 HFADMO O=C1c2cccc(Cl)c2S(=O)(=O)N1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000789983015 1077883705 /nfs/dbraw/zinc/88/37/05/1077883705.db2.gz QOTQIUXFBKSNKO-MRXNPFEDSA-N 1 1 420.918 2.776 20 0 HFADMO O=C1c2cccc(Cl)c2S(=O)(=O)N1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000789983015 1077883712 /nfs/dbraw/zinc/88/37/12/1077883712.db2.gz QOTQIUXFBKSNKO-MRXNPFEDSA-N 1 1 420.918 2.776 20 0 HFADMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000789996231 1077895730 /nfs/dbraw/zinc/89/57/30/1077895730.db2.gz WRWKUSFZIUFPCX-QGZVFWFLSA-N 1 1 418.538 2.683 20 0 HFADMO Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)c3ccc4cncn4c3)CC2)cc1 ZINC000792548790 1077899449 /nfs/dbraw/zinc/89/94/49/1077899449.db2.gz DYUQWCQKLYHWBG-UHFFFAOYSA-N 1 1 406.486 2.534 20 0 HFADMO Cc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)c3ccc4cncn4c3)CC2)cc1 ZINC000792548790 1077899455 /nfs/dbraw/zinc/89/94/55/1077899455.db2.gz DYUQWCQKLYHWBG-UHFFFAOYSA-N 1 1 406.486 2.534 20 0 HFADMO CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792556633 1077902671 /nfs/dbraw/zinc/90/26/71/1077902671.db2.gz WFOQFTGVFPPATG-BPCQOVAHSA-N 1 1 417.394 2.611 20 0 HFADMO CC[C@@H]1C[C@@H]([N@H+]2CCC[C@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)CCO1 ZINC001170206758 1077906031 /nfs/dbraw/zinc/90/60/31/1077906031.db2.gz ARKJACYDCABJIE-JQVVWYNYSA-N 1 1 400.523 2.609 20 0 HFADMO CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)CCO1 ZINC001170206763 1077906072 /nfs/dbraw/zinc/90/60/72/1077906072.db2.gz ARKJACYDCABJIE-NNMXDRDESA-N 1 1 400.523 2.609 20 0 HFADMO CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3CN(CCc4ccccc4)S(=O)(=O)[C@@H]3CC2)CCO1 ZINC001170214085 1077908599 /nfs/dbraw/zinc/90/85/99/1077908599.db2.gz MMWMWGFSSKMUCO-CIAFKFPVSA-N 1 1 406.592 2.913 20 0 HFADMO C[C@@H]1CN(C(=O)[C@H](CCC(N)=O)[NH2+]C2c3ccccc3Oc3ccccc32)CCCO1 ZINC001157703281 1077908981 /nfs/dbraw/zinc/90/89/81/1077908981.db2.gz MHYJJIQUMKXYDK-APWZRJJASA-N 1 1 423.513 2.743 20 0 HFADMO CCNC(=O)OC[C@H]1CCCC[N@H+]1CCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC001170217419 1077909798 /nfs/dbraw/zinc/90/97/98/1077909798.db2.gz QEDMPJNJZJVMBO-MRXNPFEDSA-N 1 1 423.510 2.642 20 0 HFADMO Cc1ccc(S(=O)(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c(Cl)n1 ZINC000790009837 1077911725 /nfs/dbraw/zinc/91/17/25/1077911725.db2.gz ANAOEVRMHDONQM-HNNXBMFYSA-N 1 1 409.939 2.743 20 0 HFADMO Cc1ccc(S(=O)(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c(Cl)n1 ZINC000790009837 1077911726 /nfs/dbraw/zinc/91/17/26/1077911726.db2.gz ANAOEVRMHDONQM-HNNXBMFYSA-N 1 1 409.939 2.743 20 0 HFADMO COCCN(CC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1)C(=O)OC(C)(C)C ZINC000772801403 1077912946 /nfs/dbraw/zinc/91/29/46/1077912946.db2.gz XYPXKAVXEVUOAL-UHFFFAOYSA-N 1 1 407.511 2.643 20 0 HFADMO CC[C@@H]1C[C@H]([N@H+]2CCC[C@H](NC(=O)c3cc(OC)c(OC)c(OC)c3)C2)CCO1 ZINC001170236222 1077914090 /nfs/dbraw/zinc/91/40/90/1077914090.db2.gz CQRZJADEWMZGFS-RCCFBDPRSA-N 1 1 406.523 2.864 20 0 HFADMO CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792579808 1077915825 /nfs/dbraw/zinc/91/58/25/1077915825.db2.gz XKTZBKVICYCQJO-HSALFYBXSA-N 1 1 417.550 2.507 20 0 HFADMO O=C(C[NH+]1CCC(C2N=NC(=O)O2)CC1)NCc1ccccc1COc1ccccc1 ZINC001170245144 1077916074 /nfs/dbraw/zinc/91/60/74/1077916074.db2.gz SWBHAEKSKDPAFG-UHFFFAOYSA-N 1 1 422.485 2.850 20 0 HFADMO COc1cc(C[NH2+]Cc2cccc3c2OC(F)(F)O3)cc(Cl)c1OCC(N)=O ZINC001203248880 1077922873 /nfs/dbraw/zinc/92/28/73/1077922873.db2.gz KOCFFTJYYGFFMX-UHFFFAOYSA-N 1 1 414.792 2.824 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@@H+]1Cc2ccnn2C[C@@H](COCC(=O)N(C)C)C1 ZINC001170275966 1077926836 /nfs/dbraw/zinc/92/68/36/1077926836.db2.gz KSABKSMAJBYMBN-SJORKVTESA-N 1 1 404.942 2.704 20 0 HFADMO Cc1cccc(S(=O)(=O)CCC[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 ZINC001170280136 1077936231 /nfs/dbraw/zinc/93/62/31/1077936231.db2.gz AZQGZHKIASCWNT-HZPDHXFCSA-N 1 1 418.481 2.501 20 0 HFADMO Cc1cccc(S(=O)(=O)CCC[N@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 ZINC001170280136 1077936233 /nfs/dbraw/zinc/93/62/33/1077936233.db2.gz AZQGZHKIASCWNT-HZPDHXFCSA-N 1 1 418.481 2.501 20 0 HFADMO NC(=O)C1CCN(c2cc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)ncn2)CC1 ZINC001170329975 1077944811 /nfs/dbraw/zinc/94/48/11/1077944811.db2.gz CDCNZIAWJFHPQZ-MZADTFQBSA-N 1 1 420.561 2.786 20 0 HFADMO COc1ccc(C[N@H+]2CCCN(C(=O)CN3CCOCC34CCCCC4)CC2)cc1 ZINC001170308821 1077948246 /nfs/dbraw/zinc/94/82/46/1077948246.db2.gz ZAMWCWSIADKYMM-UHFFFAOYSA-N 1 1 415.578 2.765 20 0 HFADMO COc1ccc([C@H]2CCCCCN2C(=O)CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1 ZINC001170352200 1077948450 /nfs/dbraw/zinc/94/84/50/1077948450.db2.gz USKIBZGRSNFQLV-XQBPLPMBSA-N 1 1 403.567 2.526 20 0 HFADMO O=C1C[C@@H]([NH+]2CCC(Oc3ccc(F)nc3)CC2)C(=O)N1CCc1ccccc1F ZINC000790102711 1077949545 /nfs/dbraw/zinc/94/95/45/1077949545.db2.gz AQHSINRGGUZKML-LJQANCHMSA-N 1 1 415.440 2.573 20 0 HFADMO C[C@@H]1CC[C@@H](NC(=O)[C@@]2([NH+](C)C)COc3ccccc3C2)CN1C(=O)OC(C)(C)C ZINC001170348576 1077955336 /nfs/dbraw/zinc/95/53/36/1077955336.db2.gz NEXOASFDXFWYLQ-UQNRQAKVSA-N 1 1 417.550 2.826 20 0 HFADMO C[C@@H]1CC[C@H](NC(=O)[C@@]2([NH+](C)C)COc3ccccc3C2)CN1C(=O)OC(C)(C)C ZINC001170348573 1077955394 /nfs/dbraw/zinc/95/53/94/1077955394.db2.gz NEXOASFDXFWYLQ-QSAZIKIQSA-N 1 1 417.550 2.826 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000790125500 1077959369 /nfs/dbraw/zinc/95/93/69/1077959369.db2.gz UJOOEPHRSHLCGB-MDZDMXLPSA-N 1 1 413.562 2.508 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000790125500 1077959370 /nfs/dbraw/zinc/95/93/70/1077959370.db2.gz UJOOEPHRSHLCGB-MDZDMXLPSA-N 1 1 413.562 2.508 20 0 HFADMO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)NCC[N@H+]2CCC[C@H](C)C2)cn1 ZINC000790156467 1077960952 /nfs/dbraw/zinc/96/09/52/1077960952.db2.gz ALEFNUMULAQJJR-UGKGYDQZSA-N 1 1 413.566 2.880 20 0 HFADMO C[C@@H]1CSCC[N@H+](Cn2c(=O)oc3cc(I)ccc32)C1 ZINC000792719025 1077973851 /nfs/dbraw/zinc/97/38/51/1077973851.db2.gz FBQCSERRWSHDQB-JTQLQIEISA-N 1 1 404.273 2.842 20 0 HFADMO C[C@@H]1CSCC[N@@H+](Cn2c(=O)oc3cc(I)ccc32)C1 ZINC000792719025 1077973854 /nfs/dbraw/zinc/97/38/54/1077973854.db2.gz FBQCSERRWSHDQB-JTQLQIEISA-N 1 1 404.273 2.842 20 0 HFADMO O=S(=O)(C[C@H]1CCCOC1)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000792765539 1077988276 /nfs/dbraw/zinc/98/82/76/1077988276.db2.gz QBDFFIWUECBFCQ-DOTOQJQBSA-N 1 1 406.470 2.626 20 0 HFADMO O=S(=O)(C[C@H]1CCCOC1)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000792765539 1077988278 /nfs/dbraw/zinc/98/82/78/1077988278.db2.gz QBDFFIWUECBFCQ-DOTOQJQBSA-N 1 1 406.470 2.626 20 0 HFADMO C[C@@H]([NH2+]CC(=O)N1CCC2(CC1)OCCO2)c1ccc(Br)cc1F ZINC000796693937 1077988663 /nfs/dbraw/zinc/98/86/63/1077988663.db2.gz HTEXZNPVFDGMKZ-GFCCVEGCSA-N 1 1 401.276 2.604 20 0 HFADMO CCC[N@@H+]([C@@H]1CCN(C2CCOCC2)C1=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000790313748 1077994660 /nfs/dbraw/zinc/99/46/60/1077994660.db2.gz CRFTYWMTUIVBDY-JOCHJYFZSA-N 1 1 413.562 2.783 20 0 HFADMO C[N@@H+]1CC[C@H](CNS(=O)(=O)C[C@@H]2CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000792769084 1077997380 /nfs/dbraw/zinc/99/73/80/1077997380.db2.gz CTEDWCNRSUPNAO-SIIHOXLZSA-N 1 1 404.935 2.818 20 0 HFADMO C[N@H+]1CC[C@H](CNS(=O)(=O)C[C@@H]2CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000792769084 1077997382 /nfs/dbraw/zinc/99/73/82/1077997382.db2.gz CTEDWCNRSUPNAO-SIIHOXLZSA-N 1 1 404.935 2.818 20 0 HFADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)N(CCO)Cc1cccnc1Cl ZINC000792827341 1078006655 /nfs/dbraw/zinc/00/66/55/1078006655.db2.gz BEWLRADLNOQNKG-UHFFFAOYSA-N 1 1 402.926 2.687 20 0 HFADMO O=C(NC[C@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1)OCc1ccccc1 ZINC000792861120 1078010458 /nfs/dbraw/zinc/01/04/58/1078010458.db2.gz XVTJWZYRJTUIIU-UXHICEINSA-N 1 1 414.550 2.819 20 0 HFADMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@H]1CC(c2cccnc2)=NO1 ZINC000790368433 1078016075 /nfs/dbraw/zinc/01/60/75/1078016075.db2.gz UYQDJSUDRJKCJS-HXUWFJFHSA-N 1 1 400.429 2.634 20 0 HFADMO NC(=O)c1ccsc1NC(=O)CC[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000792893043 1078018217 /nfs/dbraw/zinc/01/82/17/1078018217.db2.gz WWOLCXCVEWNSAB-UHFFFAOYSA-N 1 1 408.321 2.996 20 0 HFADMO NC(=O)c1ccsc1NC(=O)CC[N@H+]1CCc2ccc(Br)cc2C1 ZINC000792893043 1078018222 /nfs/dbraw/zinc/01/82/22/1078018222.db2.gz WWOLCXCVEWNSAB-UHFFFAOYSA-N 1 1 408.321 2.996 20 0 HFADMO COC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1 ZINC000792902110 1078019652 /nfs/dbraw/zinc/01/96/52/1078019652.db2.gz LILVAFUJHOJJCI-PBHICJAKSA-N 1 1 400.306 2.997 20 0 HFADMO COC(=O)Nc1ccc(CNC(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1 ZINC000792902110 1078019657 /nfs/dbraw/zinc/01/96/57/1078019657.db2.gz LILVAFUJHOJJCI-PBHICJAKSA-N 1 1 400.306 2.997 20 0 HFADMO COCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1 ZINC000792908935 1078021528 /nfs/dbraw/zinc/02/15/28/1078021528.db2.gz NOZMGTSNOQHLKJ-FUHWJXTLSA-N 1 1 401.334 2.844 20 0 HFADMO COCCOc1cccc(CNC(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1 ZINC000792908935 1078021533 /nfs/dbraw/zinc/02/15/33/1078021533.db2.gz NOZMGTSNOQHLKJ-FUHWJXTLSA-N 1 1 401.334 2.844 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000792914808 1078025133 /nfs/dbraw/zinc/02/51/33/1078025133.db2.gz SWKWBBYDOHSWOS-XJKCOSOUSA-N 1 1 421.847 2.555 20 0 HFADMO CN(C[C@@H]1C[C@H](F)C[N@@H+]1C[C@H](O)COCc1ccccc1F)C(=O)OC(C)(C)C ZINC000792916464 1078025151 /nfs/dbraw/zinc/02/51/51/1078025151.db2.gz ZNAYEJAVCWGKFJ-BZSNNMDCSA-N 1 1 414.493 2.983 20 0 HFADMO CN(C[C@@H]1C[C@H](F)C[N@H+]1C[C@H](O)COCc1ccccc1F)C(=O)OC(C)(C)C ZINC000792916464 1078025155 /nfs/dbraw/zinc/02/51/55/1078025155.db2.gz ZNAYEJAVCWGKFJ-BZSNNMDCSA-N 1 1 414.493 2.983 20 0 HFADMO CC(C)(C)OC(=O)NCC[N@H+](CCc1ccccc1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000792931137 1078028099 /nfs/dbraw/zinc/02/80/99/1078028099.db2.gz NTRGUVULJPDHRQ-IBGZPJMESA-N 1 1 410.580 2.881 20 0 HFADMO CC(C)(C)OC(=O)NCC[N@@H+](CCc1ccccc1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000792931137 1078028104 /nfs/dbraw/zinc/02/81/04/1078028104.db2.gz NTRGUVULJPDHRQ-IBGZPJMESA-N 1 1 410.580 2.881 20 0 HFADMO CC[N@@H+](C)C[C@@H]1CCN(Cn2ncc3c2ccc(Br)c3C(=O)OC)C1 ZINC000790443229 1078032869 /nfs/dbraw/zinc/03/28/69/1078032869.db2.gz JTCQDLIYOUZNOA-ZDUSSCGKSA-N 1 1 409.328 2.817 20 0 HFADMO Cc1ccc(NC(=O)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)nc1Br ZINC000792952595 1078033787 /nfs/dbraw/zinc/03/37/87/1078033787.db2.gz KCYLEPLJIYHQTR-AWEZNQCLSA-N 1 1 411.344 2.862 20 0 HFADMO COC(=O)c1c2cnn(CN3CC[C@H]4CC[C@@H](C3)[N@H+]4C)c2ccc1Br ZINC000790445380 1078034230 /nfs/dbraw/zinc/03/42/30/1078034230.db2.gz ZWYGIUXYNPCHCN-OLZOCXBDSA-N 1 1 407.312 2.711 20 0 HFADMO Cc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(Br)n2)[NH+]2CCCC2)o1 ZINC000792970352 1078039294 /nfs/dbraw/zinc/03/92/94/1078039294.db2.gz BKCFUNFUWJFAFZ-ZDUSSCGKSA-N 1 1 421.295 2.637 20 0 HFADMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792982697 1078040026 /nfs/dbraw/zinc/04/00/26/1078040026.db2.gz FZWXEHVSRHWNSE-LSDHHAIUSA-N 1 1 423.355 2.896 20 0 HFADMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)c(Br)n1 ZINC000792989832 1078042457 /nfs/dbraw/zinc/04/24/57/1078042457.db2.gz ZEHYJSSQXJIJSR-CQSZACIVSA-N 1 1 411.344 2.862 20 0 HFADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000806254220 1079522165 /nfs/dbraw/zinc/52/21/65/1079522165.db2.gz QYRUCZSTROFSBX-KZNAEPCWSA-N 1 1 407.580 2.543 20 0 HFADMO CNC(=O)OC[C@H]1CCCCN1C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000806265556 1079529689 /nfs/dbraw/zinc/52/96/89/1079529689.db2.gz OFVHBRSDVNDREX-VQIMIIECSA-N 1 1 404.511 2.822 20 0 HFADMO CCOC(=O)N1CCC(NC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000806271709 1079534478 /nfs/dbraw/zinc/53/44/78/1079534478.db2.gz KDVQFZUBZWEMPC-HSZRJFAPSA-N 1 1 414.550 2.915 20 0 HFADMO CCCNS(=O)(=O)c1ccc(NC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)cc1 ZINC000806309351 1079563609 /nfs/dbraw/zinc/56/36/09/1079563609.db2.gz ROQQIILTUQKSSK-UHFFFAOYSA-N 1 1 416.547 2.723 20 0 HFADMO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)CCC2 ZINC000806296460 1079585242 /nfs/dbraw/zinc/58/52/42/1079585242.db2.gz AJAXSDMGXDCIPE-SBHAEUEKSA-N 1 1 409.534 2.519 20 0 HFADMO CCCCC[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(C)(C)C ZINC000806321264 1079591793 /nfs/dbraw/zinc/59/17/93/1079591793.db2.gz SKUXKMQTQWIINT-UXHICEINSA-N 1 1 408.631 2.725 20 0 HFADMO CCCCC[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C(C)(C)C ZINC000806321264 1079591799 /nfs/dbraw/zinc/59/17/99/1079591799.db2.gz SKUXKMQTQWIINT-UXHICEINSA-N 1 1 408.631 2.725 20 0 HFADMO CCCCC[C@@H](NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)C(C)(C)C ZINC000806322491 1079594719 /nfs/dbraw/zinc/59/47/19/1079594719.db2.gz WZXXGMASMNKWAB-VQTJNVASSA-N 1 1 408.631 2.726 20 0 HFADMO Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)c12 ZINC000747326493 1079644974 /nfs/dbraw/zinc/64/49/74/1079644974.db2.gz SDXCCDKAFOYSEN-IRXDYDNUSA-N 1 1 410.449 2.930 20 0 HFADMO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000806423759 1079668433 /nfs/dbraw/zinc/66/84/33/1079668433.db2.gz DHXWUXXXTLWRCJ-DHIUTWEWSA-N 1 1 423.557 2.658 20 0 HFADMO COCC1(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000806427681 1079673071 /nfs/dbraw/zinc/67/30/71/1079673071.db2.gz NDQJJVSGITZJGL-MSOLQXFVSA-N 1 1 424.586 2.576 20 0 HFADMO C[C@H](CNC(=O)N1CCCC[C@H]1COC(=O)N(C)C)[N@@H+]1CCc2sccc2C1 ZINC000806436074 1079682504 /nfs/dbraw/zinc/68/25/04/1079682504.db2.gz BILIBAHWGTTYCY-WBVHZDCISA-N 1 1 408.568 2.757 20 0 HFADMO C[C@H](CNC(=O)N1CCCC[C@H]1COC(=O)N(C)C)[N@H+]1CCc2sccc2C1 ZINC000806436074 1079682509 /nfs/dbraw/zinc/68/25/09/1079682509.db2.gz BILIBAHWGTTYCY-WBVHZDCISA-N 1 1 408.568 2.757 20 0 HFADMO O=C(Nc1ccnn1CC1CC1)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000806436122 1079682560 /nfs/dbraw/zinc/68/25/60/1079682560.db2.gz CHYCOZFEPOBJPV-OAQYLSRUSA-N 1 1 408.550 2.717 20 0 HFADMO CC[C@H](CNC(=O)N1CCCC[C@H]1COC(=O)NC)[N@H+]1CCc2ccccc2C1 ZINC000806397780 1079686001 /nfs/dbraw/zinc/68/60/01/1079686001.db2.gz QHVSKWUWYRTQGL-UXHICEINSA-N 1 1 402.539 2.743 20 0 HFADMO CNC(=O)OC[C@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000806471639 1079702821 /nfs/dbraw/zinc/70/28/21/1079702821.db2.gz ILIYNGMWHWQQLU-QGZVFWFLSA-N 1 1 424.492 2.849 20 0 HFADMO Cc1cccc(C)c1CCNC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000806447609 1079718869 /nfs/dbraw/zinc/71/88/69/1079718869.db2.gz VMTWJIZULBNTFH-RUZDIDTESA-N 1 1 407.558 2.991 20 0 HFADMO CCOC(=O)C1CCC(O)(C[C@@H](O)C[N@@H+](C)[C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC001170508934 1079722732 /nfs/dbraw/zinc/72/27/32/1079722732.db2.gz YHDUSGQOWOJDMQ-PYNJAUNQSA-N 1 1 413.942 2.541 20 0 HFADMO Cn1[nH]cc2c(=NC(=O)N[C@@H]3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)ccnc1-2 ZINC000806490761 1079742062 /nfs/dbraw/zinc/74/20/62/1079742062.db2.gz LXLIWIYYMDCNCH-MISYRCLQSA-N 1 1 404.518 2.764 20 0 HFADMO Cc1ccc(CC(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)n1 ZINC000806500071 1079750629 /nfs/dbraw/zinc/75/06/29/1079750629.db2.gz XHRWVAQEVPRZGH-UHFFFAOYSA-N 1 1 410.946 2.645 20 0 HFADMO CCN(C(=O)C(=O)NCCc1ccc(Cl)nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000806594121 1079836374 /nfs/dbraw/zinc/83/63/74/1079836374.db2.gz GVTZPZVHNPRQDY-LJQANCHMSA-N 1 1 414.937 2.517 20 0 HFADMO CC1(C)CN(C(=O)C(=O)NCCc2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000806603460 1079844515 /nfs/dbraw/zinc/84/45/15/1079844515.db2.gz NWXRXCMGRJEWMW-UHFFFAOYSA-N 1 1 414.937 2.517 20 0 HFADMO CC1(C)CN(C(=O)C(=O)NCCc2ccc(Cl)nc2)CC[N@H+]1Cc1ccccc1 ZINC000806603460 1079844532 /nfs/dbraw/zinc/84/45/32/1079844532.db2.gz NWXRXCMGRJEWMW-UHFFFAOYSA-N 1 1 414.937 2.517 20 0 HFADMO CNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000806619688 1079854684 /nfs/dbraw/zinc/85/46/84/1079854684.db2.gz JRAQWGJIIBQDKI-VQTJNVASSA-N 1 1 402.539 2.819 20 0 HFADMO CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747341683 1079876154 /nfs/dbraw/zinc/87/61/54/1079876154.db2.gz HDFBJJKFOCUIGA-HZPDHXFCSA-N 1 1 409.490 2.865 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000806738409 1079929603 /nfs/dbraw/zinc/92/96/03/1079929603.db2.gz CZDCRETXIUQSBA-CPUCHLNUSA-N 1 1 402.322 2.579 20 0 HFADMO CN(C(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000806727167 1079950759 /nfs/dbraw/zinc/95/07/59/1079950759.db2.gz BKABKVFIEKUNRZ-JOCHJYFZSA-N 1 1 423.557 2.653 20 0 HFADMO CN(C)C(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000806726969 1079950772 /nfs/dbraw/zinc/95/07/72/1079950772.db2.gz KMPGKOTVCQKIIA-LEWJYISDSA-N 1 1 416.566 2.813 20 0 HFADMO C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000806728262 1079951796 /nfs/dbraw/zinc/95/17/96/1079951796.db2.gz NKUYNVIHVGURHD-LJQANCHMSA-N 1 1 423.557 2.653 20 0 HFADMO COC(=O)N1CCC(CNC(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000806770306 1079990127 /nfs/dbraw/zinc/99/01/27/1079990127.db2.gz YDVVUWQLNHCECC-UHFFFAOYSA-N 1 1 424.586 2.578 20 0 HFADMO C[N@@H+]1CCN(C(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)[C@@H](c2ccccc2)C1 ZINC000806744545 1079998522 /nfs/dbraw/zinc/99/85/22/1079998522.db2.gz DISZLHIFGANCAY-LJQANCHMSA-N 1 1 410.449 3.000 20 0 HFADMO C[N@H+]1CCN(C(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)[C@@H](c2ccccc2)C1 ZINC000806744545 1079998528 /nfs/dbraw/zinc/99/85/28/1079998528.db2.gz DISZLHIFGANCAY-LJQANCHMSA-N 1 1 410.449 3.000 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)cn1 ZINC000806806757 1080022149 /nfs/dbraw/zinc/02/21/49/1080022149.db2.gz PUCLQKZEYPOXOJ-UHFFFAOYSA-N 1 1 423.452 2.956 20 0 HFADMO COc1ccc([C@H](C[NH+](C)C)NC(=O)NCC[S@](=O)Cc2ccccc2)cc1 ZINC000806828473 1080042540 /nfs/dbraw/zinc/04/25/40/1080042540.db2.gz MVJQQVYIWBZFOS-MMTVBGGISA-N 1 1 403.548 2.546 20 0 HFADMO C[C@@H](CNC(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1)C[NH+]1CCOCC1 ZINC000806839829 1080051629 /nfs/dbraw/zinc/05/16/29/1080051629.db2.gz LBVKPDCDKNYELG-REWPJTCUSA-N 1 1 411.546 2.900 20 0 HFADMO C[N@@H+]1CCN(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)C[C@@H]1Cc1ccccc1 ZINC000806891594 1080056832 /nfs/dbraw/zinc/05/68/32/1080056832.db2.gz QJNKQVZRFNVZGQ-SFHVURJKSA-N 1 1 404.555 2.858 20 0 HFADMO C[N@H+]1CCN(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)C[C@@H]1Cc1ccccc1 ZINC000806891594 1080056840 /nfs/dbraw/zinc/05/68/40/1080056840.db2.gz QJNKQVZRFNVZGQ-SFHVURJKSA-N 1 1 404.555 2.858 20 0 HFADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C(C)(C)O)c2)C1 ZINC000806897396 1080104427 /nfs/dbraw/zinc/10/44/27/1080104427.db2.gz JNQXBXRLTYJBNS-ROUUACIJSA-N 1 1 401.551 2.966 20 0 HFADMO NC(=O)c1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc1Cl ZINC000806989712 1080168722 /nfs/dbraw/zinc/16/87/22/1080168722.db2.gz CIWBPCHJDIASHB-QFIPXVFZSA-N 1 1 412.921 2.962 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000807016357 1080212991 /nfs/dbraw/zinc/21/29/91/1080212991.db2.gz RLBUHKVBRITVBH-ZWKOTPCHSA-N 1 1 409.530 2.974 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000807016357 1080212998 /nfs/dbraw/zinc/21/29/98/1080212998.db2.gz RLBUHKVBRITVBH-ZWKOTPCHSA-N 1 1 409.530 2.974 20 0 HFADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)Cc3ccc(C)nc3Cl)cc2)CC1 ZINC000807020871 1080215684 /nfs/dbraw/zinc/21/56/84/1080215684.db2.gz UJTUJDPKKKDUNM-UHFFFAOYSA-N 1 1 414.937 2.931 20 0 HFADMO NC(=O)c1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc1Cl ZINC000807086009 1080262204 /nfs/dbraw/zinc/26/22/04/1080262204.db2.gz PAQJZLNRWDSWNL-APWZRJJASA-N 1 1 412.921 2.961 20 0 HFADMO C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)[C@H]1c1ccccc1 ZINC000807088251 1080266611 /nfs/dbraw/zinc/26/66/11/1080266611.db2.gz NERQWHNUAFJPPB-RJGXRXQPSA-N 1 1 421.541 2.832 20 0 HFADMO C[N@@H+]1CCN(C(=O)NCc2ccc(N3CCOC3=O)cc2)C[C@@H]1Cc1ccccc1 ZINC000807098065 1080275127 /nfs/dbraw/zinc/27/51/27/1080275127.db2.gz VNKCOJXBQSZITJ-NRFANRHFSA-N 1 1 408.502 2.712 20 0 HFADMO C[N@H+]1CCN(C(=O)NCc2ccc(N3CCOC3=O)cc2)C[C@@H]1Cc1ccccc1 ZINC000807098065 1080275135 /nfs/dbraw/zinc/27/51/35/1080275135.db2.gz VNKCOJXBQSZITJ-NRFANRHFSA-N 1 1 408.502 2.712 20 0 HFADMO CON(Cc1ccccc1)C(=O)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000807113769 1080290567 /nfs/dbraw/zinc/29/05/67/1080290567.db2.gz GJMMVQQWKVZBBX-NGRWLJPCSA-N 1 1 409.530 2.849 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)C1 ZINC000805276511 1080294909 /nfs/dbraw/zinc/29/49/09/1080294909.db2.gz GTXXSZKYENPHNN-SFHVURJKSA-N 1 1 414.428 2.627 20 0 HFADMO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000807171342 1080326538 /nfs/dbraw/zinc/32/65/38/1080326538.db2.gz RPLBKEOGGOSBHX-SOUVJXGZSA-N 1 1 403.832 2.755 20 0 HFADMO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000807171342 1080326546 /nfs/dbraw/zinc/32/65/46/1080326546.db2.gz RPLBKEOGGOSBHX-SOUVJXGZSA-N 1 1 403.832 2.755 20 0 HFADMO CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000807181670 1080375271 /nfs/dbraw/zinc/37/52/71/1080375271.db2.gz SFUAVZJVYPROMY-OALUTQOASA-N 1 1 412.575 2.530 20 0 HFADMO CCOC(=O)C1C[N@@H+](Cc2ccccc2)CCC1=Nc1cnc(C)c(C(=O)OC)n1 ZINC001170521066 1080442361 /nfs/dbraw/zinc/44/23/61/1080442361.db2.gz FOBBKZJHLALPQG-UHFFFAOYSA-N 1 1 410.474 2.707 20 0 HFADMO C[C@@]1(NC(=O)NCc2c[nH+]c3n2CCCC3)CCN(C(=O)OCc2ccccc2)C1 ZINC000807264707 1080470803 /nfs/dbraw/zinc/47/08/03/1080470803.db2.gz ONCHVHGNFAQLIB-JOCHJYFZSA-N 1 1 411.506 2.820 20 0 HFADMO C[C@@]1(CNC(=O)C(=O)NCCCc2ccccc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000807314271 1080507117 /nfs/dbraw/zinc/50/71/17/1080507117.db2.gz ADZBREJMSXKDJI-DEOSSOPVSA-N 1 1 411.521 2.903 20 0 HFADMO C[NH+]1CCN([C@@H](C(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)c2ccccc2)CC1 ZINC001130916421 1080539790 /nfs/dbraw/zinc/53/97/90/1080539790.db2.gz HSGGYITVNQRPBM-RTBURBONSA-N 1 1 413.484 2.981 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000807394220 1080560945 /nfs/dbraw/zinc/56/09/45/1080560945.db2.gz DLHBSNZGBZNTFU-HNNXBMFYSA-N 1 1 417.897 2.851 20 0 HFADMO COC(=O)Nc1ccc(NC(=O)C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)cc1F ZINC000807413352 1080608743 /nfs/dbraw/zinc/60/87/43/1080608743.db2.gz LHVQLZSWNLYBAY-UHFFFAOYSA-N 1 1 420.441 2.516 20 0 HFADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000807413183 1080608860 /nfs/dbraw/zinc/60/88/60/1080608860.db2.gz FEDLHYDPRNGDEA-UHFFFAOYSA-N 1 1 416.497 2.938 20 0 HFADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)Nc1ccnn1C1CCCCC1 ZINC000807413459 1080612486 /nfs/dbraw/zinc/61/24/86/1080612486.db2.gz OYTASCKTDKJLGU-UHFFFAOYSA-N 1 1 401.511 2.900 20 0 HFADMO CCC(=O)c1ccc(OCC(=O)OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000807468793 1080646704 /nfs/dbraw/zinc/64/67/04/1080646704.db2.gz CMHDSRGIMISMBS-UHFFFAOYSA-N 1 1 424.497 2.546 20 0 HFADMO C[N@H+]1CCN(CCNC(=O)c2nc(Br)sc2C2CC2)CC1(C)C ZINC000807472785 1080654387 /nfs/dbraw/zinc/65/43/87/1080654387.db2.gz PFXFDQNOTPLPOY-UHFFFAOYSA-N 1 1 401.374 2.539 20 0 HFADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCC[C@](C)(O)c1ccccc1 ZINC000807497460 1080691422 /nfs/dbraw/zinc/69/14/22/1080691422.db2.gz AXAXHDOUKGJLHQ-CPJSRVTESA-N 1 1 423.557 2.523 20 0 HFADMO CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1C ZINC000807544563 1080761763 /nfs/dbraw/zinc/76/17/63/1080761763.db2.gz VWKLQKNYDWRFJR-IERDGZPVSA-N 1 1 408.502 2.671 20 0 HFADMO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)C[C@H]1c1ccc(O)cc1 ZINC001170526950 1080764498 /nfs/dbraw/zinc/76/44/98/1080764498.db2.gz ACLJLCNQKUMKPH-OAUYIBNBSA-N 1 1 403.866 2.656 20 0 HFADMO COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)C[C@H]1c1ccc(O)cc1 ZINC001170526950 1080764507 /nfs/dbraw/zinc/76/45/07/1080764507.db2.gz ACLJLCNQKUMKPH-OAUYIBNBSA-N 1 1 403.866 2.656 20 0 HFADMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCN2C(=S)N=NC2c2ccc(OC)cc2)[C@H](C)C1 ZINC000747406065 1080792756 /nfs/dbraw/zinc/79/27/56/1080792756.db2.gz WFDKAPWNYQQGNQ-CRAIPNDOSA-N 1 1 417.579 2.821 20 0 HFADMO C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H](c3ccccn3)C2)[C@@H]1c1cccs1 ZINC000807582913 1080795113 /nfs/dbraw/zinc/79/51/13/1080795113.db2.gz WJQAYDHRKQPCDQ-MBOZVWFJSA-N 1 1 412.559 2.658 20 0 HFADMO O=S1(=O)CCc2nc(Cl)nc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c21 ZINC001164623384 719111541 /nfs/dbraw/zinc/11/15/41/719111541.db2.gz CQCAFFCISQLSHR-DOTOQJQBSA-N 1 1 418.950 2.561 20 0 HFADMO O=S1(=O)CCc2nc(Cl)nc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c21 ZINC001164623384 719111547 /nfs/dbraw/zinc/11/15/47/719111547.db2.gz CQCAFFCISQLSHR-DOTOQJQBSA-N 1 1 418.950 2.561 20 0 HFADMO CC[C@@H]1C(=O)N(C)c2cnc(N3C[C@H](C)[N@@H+](C)C[C@@H]3C)nc2N1[C@H]1CCC(F)(F)C1 ZINC001164635593 719226570 /nfs/dbraw/zinc/22/65/70/719226570.db2.gz JFUYCKDUQIDRFK-YHUYYLMFSA-N 1 1 422.524 2.755 20 0 HFADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncc(C(=O)N(C)C)cc1Cl)CC2 ZINC001164652942 719315462 /nfs/dbraw/zinc/31/54/62/719315462.db2.gz UZGNOHJNJNSPBC-UHFFFAOYSA-N 1 1 404.946 2.839 20 0 HFADMO C[N@H+]1CCO[C@H]2CN(c3nc(CN4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164673766 719443704 /nfs/dbraw/zinc/44/37/04/719443704.db2.gz UEJILIYTPFRYTG-IRXDYDNUSA-N 1 1 413.591 2.685 20 0 HFADMO C[N@H+]1CCO[C@H]2CN(c3nc(-c4ccccn4)c(-c4ccccn4)nc3Cl)C[C@@H]21 ZINC001164665756 719484216 /nfs/dbraw/zinc/48/42/16/719484216.db2.gz BHADVBLSQYSDJZ-IRXDYDNUSA-N 1 1 408.893 2.773 20 0 HFADMO Cn1ncc2c1CN(c1ccc(C[N@@H+](C)C3CC3)cn1)C[C@H]2COc1cccnc1 ZINC001164683053 719600302 /nfs/dbraw/zinc/60/03/02/719600302.db2.gz DKWOFXQVLRJRNG-SFHVURJKSA-N 1 1 404.518 2.987 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc3cc(F)c(F)cc3nc1Cl)CC2 ZINC001164683569 719712790 /nfs/dbraw/zinc/71/27/90/719712790.db2.gz LADFDSBUYSQIQC-UHFFFAOYSA-N 1 1 409.868 2.742 20 0 HFADMO CCOC(=O)c1cc(N2CCC3(CCC[N@H+]3CC(=O)NC)CC2)nc2ccccc21 ZINC001164686754 719717979 /nfs/dbraw/zinc/71/79/79/719717979.db2.gz RCDMRMCEXZNZJU-UHFFFAOYSA-N 1 1 410.518 2.592 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nccc(-c3c[nH]c4ccccc43)n1)CC2 ZINC001164687249 719719273 /nfs/dbraw/zinc/71/92/73/719719273.db2.gz VJAWWXHWGGPLTD-UHFFFAOYSA-N 1 1 404.518 2.806 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncccc1OCc1ccc(F)cc1)CC2 ZINC001164689886 719745145 /nfs/dbraw/zinc/74/51/45/719745145.db2.gz NRPHBPMIULNYLH-UHFFFAOYSA-N 1 1 412.509 2.981 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(C(F)F)nc3ccc(F)cc31)CC2 ZINC001164690268 719751200 /nfs/dbraw/zinc/75/12/00/719751200.db2.gz XSMIYOZSRUMBDN-UHFFFAOYSA-N 1 1 407.440 2.887 20 0 HFADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)ncc2C(N)=O)CC3)cs1 ZINC001164690864 719806128 /nfs/dbraw/zinc/80/61/28/719806128.db2.gz BHIJQFDCOIYMHQ-UHFFFAOYSA-N 1 1 406.943 2.629 20 0 HFADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4c2NC(=O)CS4)CC3)cs1 ZINC001164698979 719816484 /nfs/dbraw/zinc/81/64/84/719816484.db2.gz GAYLUWRULQHWFK-UHFFFAOYSA-N 1 1 416.576 2.921 20 0 HFADMO Cn1cc([C@H]2COC3(C2)CCN(c2cc(OC4CC[NH+](C)CC4)ccn2)CC3)cn1 ZINC001164697613 719826995 /nfs/dbraw/zinc/82/69/95/719826995.db2.gz PLDBUPCPAKUJJY-GOSISDBHSA-N 1 1 411.550 2.831 20 0 HFADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c(Cl)cccc21 ZINC001164706457 719845074 /nfs/dbraw/zinc/84/50/74/719845074.db2.gz XDNKQVHGHSHOMB-JLTOFOAXSA-N 1 1 404.898 2.516 20 0 HFADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc2cc(Cl)ncc21 ZINC001164705263 719849185 /nfs/dbraw/zinc/84/91/85/719849185.db2.gz ULPMQYDYIPDFOP-MGPUTAFESA-N 1 1 404.898 2.516 20 0 HFADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)nc2cc(Cl)ccc21 ZINC001164701003 719855580 /nfs/dbraw/zinc/85/55/80/719855580.db2.gz IZXFBRWEUASULX-IERDGZPVSA-N 1 1 418.925 2.824 20 0 HFADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)c2ccc(F)cc21 ZINC001164707787 719874641 /nfs/dbraw/zinc/87/46/41/719874641.db2.gz VKUSAEZOKRKHLW-JLTOFOAXSA-N 1 1 422.888 2.655 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@@H]2COC[C@@H](C(=O)Nc3cnccn3)[C@H]2C1 ZINC001164704295 719885537 /nfs/dbraw/zinc/88/55/37/719885537.db2.gz UZYLFYSMYNMVSX-VNQPRFMTSA-N 1 1 401.898 2.593 20 0 HFADMO C[C@@H]1CC(=O)Nc2ncnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c21 ZINC001164697087 719892852 /nfs/dbraw/zinc/89/28/52/719892852.db2.gz JMLQBDILSDMMOE-OAHLLOKOSA-N 1 1 413.547 2.855 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(C(=O)OC)ccc31)C2 ZINC001164806329 720081693 /nfs/dbraw/zinc/08/16/93/720081693.db2.gz BNWTWCYKRZUHBS-JPYJTQIMSA-N 1 1 410.518 2.601 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc3ccc(C(=O)OC)cc3n1)C2 ZINC001164815714 720081892 /nfs/dbraw/zinc/08/18/92/720081892.db2.gz ZERJTXFCXAYCAJ-XXBNENTESA-N 1 1 410.518 2.601 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc3cc(C(=O)OC)ccc3n1)C2 ZINC001164812313 720084005 /nfs/dbraw/zinc/08/40/05/720084005.db2.gz QOOJAZSQNRLYPZ-AUSIDOKSSA-N 1 1 410.518 2.601 20 0 HFADMO CCN(C)c1ccnc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164712019 720092333 /nfs/dbraw/zinc/09/23/33/720092333.db2.gz UDHDZQLLNYWHSR-FQEVSTJZSA-N 1 1 410.566 2.835 20 0 HFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)OC)CC2 ZINC001164709560 720101268 /nfs/dbraw/zinc/10/12/68/720101268.db2.gz AQYIDAXQWVAWPU-IBGZPJMESA-N 1 1 410.518 2.771 20 0 HFADMO CCOC(=O)c1cc2cccnc2nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001164809994 720113710 /nfs/dbraw/zinc/11/37/10/720113710.db2.gz JCOJWWNAFHJRAW-CYFREDJKSA-N 1 1 424.545 2.991 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nnc1OC)C2 ZINC001164811407 720200411 /nfs/dbraw/zinc/20/04/11/720200411.db2.gz HEEVJYMACMBBRA-KBXCAEBGSA-N 1 1 416.900 2.868 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(OC)nc(Cl)n1)C2 ZINC001164812879 720202089 /nfs/dbraw/zinc/20/20/89/720202089.db2.gz MTEYCMPQSJRFQB-KBXCAEBGSA-N 1 1 416.900 2.868 20 0 HFADMO CSc1cnc(Cl)c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164812857 720233005 /nfs/dbraw/zinc/23/30/05/720233005.db2.gz JGZHYJPJKBTHTM-UHFFFAOYSA-N 1 1 408.959 2.659 20 0 HFADMO CC(C)Sc1ccc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nn1 ZINC001164814562 720239760 /nfs/dbraw/zinc/23/97/60/720239760.db2.gz YSWQOMWQBFWWCR-UHFFFAOYSA-N 1 1 402.568 2.784 20 0 HFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(COC3CCC3)cn1)CCC2 ZINC001164818373 720244630 /nfs/dbraw/zinc/24/46/30/720244630.db2.gz YXIOOTWHWSSQRM-UHFFFAOYSA-N 1 1 411.550 2.958 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4ccc(Cl)c(C)c4n3)C2)C1 ZINC001164721592 720274663 /nfs/dbraw/zinc/27/46/63/720274663.db2.gz LOKVXVBWAZZFJC-JOCHJYFZSA-N 1 1 416.953 2.861 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc4ccc(Cl)c(C)c4n3)C2)C1 ZINC001164721592 720274678 /nfs/dbraw/zinc/27/46/78/720274678.db2.gz LOKVXVBWAZZFJC-JOCHJYFZSA-N 1 1 416.953 2.861 20 0 HFADMO CNC(=O)CN1CCOC[C@@]2(CCCN(c3cc(C)c4ccc(C)c(C)c4[nH+]3)C2)C1 ZINC001164723996 720289808 /nfs/dbraw/zinc/28/98/08/720289808.db2.gz ZCJAYTVCOIDMAG-DEOSSOPVSA-N 1 1 410.562 2.825 20 0 HFADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)n1 ZINC001164721950 720302414 /nfs/dbraw/zinc/30/24/14/720302414.db2.gz JCVHRQMMQCYHKR-YCRPNKLZSA-N 1 1 423.989 2.617 20 0 HFADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)n1 ZINC001164721950 720302421 /nfs/dbraw/zinc/30/24/21/720302421.db2.gz JCVHRQMMQCYHKR-YCRPNKLZSA-N 1 1 423.989 2.617 20 0 HFADMO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726435 720443390 /nfs/dbraw/zinc/44/33/90/720443390.db2.gz CDWHGTKFRJMZLW-OLZOCXBDSA-N 1 1 405.840 2.751 20 0 HFADMO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726435 720443397 /nfs/dbraw/zinc/44/33/97/720443397.db2.gz CDWHGTKFRJMZLW-OLZOCXBDSA-N 1 1 405.840 2.751 20 0 HFADMO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731706 720445176 /nfs/dbraw/zinc/44/51/76/720445176.db2.gz MDICKLRMTHRMDX-OLZOCXBDSA-N 1 1 405.840 2.751 20 0 HFADMO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731706 720445181 /nfs/dbraw/zinc/44/51/81/720445181.db2.gz MDICKLRMTHRMDX-OLZOCXBDSA-N 1 1 405.840 2.751 20 0 HFADMO CCOC(=O)c1cnc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc1C(=O)OCC ZINC001164725780 720485000 /nfs/dbraw/zinc/48/50/00/720485000.db2.gz KEEHIBQTOLUMHI-VQTJNVASSA-N 1 1 424.501 2.683 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncccc3C(=O)N3CCCC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840619 720506698 /nfs/dbraw/zinc/50/66/98/720506698.db2.gz WWOPXMGMPDEXAU-RZUBCFFCSA-N 1 1 422.577 2.892 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)cc(N(C)C)n3)CC[C@@H]21 ZINC001164833609 720552822 /nfs/dbraw/zinc/55/28/22/720552822.db2.gz APCPKJJISSTEDQ-ULQDDVLXSA-N 1 1 403.962 2.770 20 0 HFADMO CCOC(=O)c1ncnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1C ZINC001164835823 720555219 /nfs/dbraw/zinc/55/52/19/720555219.db2.gz IALSGIUGFUQGKX-CEXWTWQISA-N 1 1 412.538 2.536 20 0 HFADMO COC(=O)c1cc2c[nH]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc-2n1 ZINC001164836683 720583040 /nfs/dbraw/zinc/58/30/40/720583040.db2.gz GJBABZWLXHWAKQ-LVCYWYKZSA-N 1 1 422.533 2.924 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4c3ncn4C3CC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841512 720612418 /nfs/dbraw/zinc/61/24/18/720612418.db2.gz SLFWPBNIWCNRHZ-YTQUADARSA-N 1 1 406.538 2.736 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(C(N)=O)cc4ccccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842217 720615365 /nfs/dbraw/zinc/61/53/65/720615365.db2.gz UQFOKAWQCCKYCH-XQBPLPMBSA-N 1 1 418.545 2.908 20 0 HFADMO CCOC(=O)Cc1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164838217 720645195 /nfs/dbraw/zinc/64/51/95/720645195.db2.gz GIFYUTCIILOZMT-PWRODBHTSA-N 1 1 411.550 2.762 20 0 HFADMO c1[nH]c2ccccc2c1-c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164736691 720689544 /nfs/dbraw/zinc/68/95/44/720689544.db2.gz ALDQGKIZRJHVBH-IRXDYDNUSA-N 1 1 413.485 2.757 20 0 HFADMO Clc1ncc(-c2ccccc2)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164737574 720701294 /nfs/dbraw/zinc/70/12/94/720701294.db2.gz GJBFLGKVYKCXTM-DLBZAZTESA-N 1 1 408.893 2.929 20 0 HFADMO Cc1nc2c3ccccc3oc2c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164739491 720726510 /nfs/dbraw/zinc/72/65/10/720726510.db2.gz IYABVENGAJURBR-CVEARBPZSA-N 1 1 402.458 2.816 20 0 HFADMO Clc1cc(Cc2ccccc2)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164743491 720738850 /nfs/dbraw/zinc/73/88/50/720738850.db2.gz QMQGGYAPOSSDTC-MOPGFXCFSA-N 1 1 422.920 2.853 20 0 HFADMO c1ccc(COc2cccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164739890 720739329 /nfs/dbraw/zinc/73/93/29/720739329.db2.gz JIZBLHGHFYNIBJ-PMACEKPBSA-N 1 1 403.486 2.793 20 0 HFADMO Cc1nc2sc3c(c2c(N2CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C2)n1)CCC3 ZINC001164739303 720758837 /nfs/dbraw/zinc/75/88/37/720758837.db2.gz IDEYOISCGKFOPK-HUUCEWRRSA-N 1 1 408.531 2.620 20 0 HFADMO Clc1cccc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)c1 ZINC001164738695 720765626 /nfs/dbraw/zinc/76/56/26/720765626.db2.gz GWDHRONNXBAGIL-ZWKOTPCHSA-N 1 1 408.893 2.929 20 0 HFADMO Cc1cc(-c2cccc(F)c2)nnc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164749278 720801526 /nfs/dbraw/zinc/80/15/26/720801526.db2.gz SXTWWNSCOLYWPK-OALUTQOASA-N 1 1 406.465 2.723 20 0 HFADMO Clc1nc(Cl)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(C2CC2)n1 ZINC001164746630 720803576 /nfs/dbraw/zinc/80/35/76/720803576.db2.gz MCXCKNPPTUQEGB-CHWSQXEVSA-N 1 1 407.305 2.793 20 0 HFADMO Cc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1NC(C)C ZINC001164741348 720808147 /nfs/dbraw/zinc/80/81/47/720808147.db2.gz BBDKKKHJGGEDQR-VAMGGRTRSA-N 1 1 410.570 2.576 20 0 HFADMO FC(F)(c1cc(Cl)ncn1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748271 720808796 /nfs/dbraw/zinc/80/87/96/720808796.db2.gz QFOGFWFBJYYLQA-OWCLPIDISA-N 1 1 423.899 2.646 20 0 HFADMO Clc1nnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2cnccc12 ZINC001164745590 720815110 /nfs/dbraw/zinc/81/51/10/720815110.db2.gz WYUPPMUIYBYVED-FRQCXROJSA-N 1 1 424.940 2.649 20 0 HFADMO Cc1cccc2c1ncnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739205 720818945 /nfs/dbraw/zinc/81/89/45/720818945.db2.gz HRYJOIGHKGTBQF-SVFBPWRDSA-N 1 1 403.534 2.909 20 0 HFADMO COc1ccc2cnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1 ZINC001164741786 720821301 /nfs/dbraw/zinc/82/13/01/720821301.db2.gz OFTWBRHPOOHGRZ-XQBPLPMBSA-N 1 1 419.533 2.609 20 0 HFADMO Cc1cccc2ncc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc12 ZINC001164738763 720824427 /nfs/dbraw/zinc/82/44/27/720824427.db2.gz GGTDXCMYRRTPDY-QKNQBKEWSA-N 1 1 403.534 2.909 20 0 HFADMO Clc1nnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2occc21 ZINC001164742957 720838218 /nfs/dbraw/zinc/83/82/18/720838218.db2.gz HOURRFZODSEZNF-ZMSDIMECSA-N 1 1 413.913 2.847 20 0 HFADMO CCOC(=O)c1c(C)ccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748374 720840371 /nfs/dbraw/zinc/84/03/71/720840371.db2.gz UNOTVBRXVDZXGZ-HSALFYBXSA-N 1 1 424.549 2.538 20 0 HFADMO COc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1Cl ZINC001164751845 720841309 /nfs/dbraw/zinc/84/13/09/720841309.db2.gz ZDUHATVSYJFMHE-XYJFISCASA-N 1 1 402.930 2.715 20 0 HFADMO Cc1cc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2s1 ZINC001164748871 720841777 /nfs/dbraw/zinc/84/17/77/720841777.db2.gz VAYCHSYTGFMGDZ-ZHALLVOQSA-N 1 1 409.563 2.971 20 0 HFADMO Cc1csc2cnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc12 ZINC001164741679 720843141 /nfs/dbraw/zinc/84/31/41/720843141.db2.gz FNLHQICGCZNXAL-FGTMMUONSA-N 1 1 409.563 2.971 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(Cl)nc(Cc4ccccc4)n3)CC[C@H]2C1 ZINC001164849296 720849393 /nfs/dbraw/zinc/84/93/93/720849393.db2.gz BYGQOCCNFUFBRU-RBUKOAKNSA-N 1 1 416.953 2.894 20 0 HFADMO CCc1c(Cl)ncnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747292 720850545 /nfs/dbraw/zinc/85/05/45/720850545.db2.gz QCQZTGYIOPADEL-LZLYRXPVSA-N 1 1 401.946 2.663 20 0 HFADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(-c5ccccn5)nn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746121 720852252 /nfs/dbraw/zinc/85/22/52/720852252.db2.gz FSIBXMAHTSYCMV-XQBPLPMBSA-N 1 1 416.533 2.510 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nccc(-c4c[nH]c5ccccc54)n3)CC[C@H]2C1 ZINC001164857481 720852518 /nfs/dbraw/zinc/85/25/18/720852518.db2.gz QYYAEBQWGJMJOF-JTSKRJEESA-N 1 1 407.518 2.798 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3cc(Cl)nnc3-c3ccccc3)CC[C@@H]2C1 ZINC001164860264 720855889 /nfs/dbraw/zinc/85/58/89/720855889.db2.gz WDYOOFSZATTWTB-MJGOQNOKSA-N 1 1 402.926 2.971 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(Cl)nnc3-c3ccccc3)CC[C@H]2C1 ZINC001164860266 720856238 /nfs/dbraw/zinc/85/62/38/720856238.db2.gz WDYOOFSZATTWTB-PKOBYXMFSA-N 1 1 402.926 2.971 20 0 HFADMO CCOC(=O)c1cc2ccccc2nc1N1CC[C@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001164858178 720865003 /nfs/dbraw/zinc/86/50/03/720865003.db2.gz RMMKVPRXJLPMQM-GHTZIAJQSA-N 1 1 413.518 2.585 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nccc(Oc4cccc(F)c4)n3)CC[C@@H]2C1 ZINC001164854538 720869400 /nfs/dbraw/zinc/86/94/00/720869400.db2.gz KJQIJAOYARURGI-VQIMIIECSA-N 1 1 402.470 2.582 20 0 HFADMO CCN(c1ccccc1)c1cc(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@H]3C2)ncn1 ZINC001164853395 720884086 /nfs/dbraw/zinc/88/40/86/720884086.db2.gz CMOZIVZPXCREJS-FPOVZHCZSA-N 1 1 411.550 2.808 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(C(F)F)nc4ccc(F)cc43)CC[C@@H]2C1 ZINC001164858451 720885930 /nfs/dbraw/zinc/88/59/30/720885930.db2.gz KXSBZDAZNIRSQF-CXAGYDPISA-N 1 1 410.440 2.880 20 0 HFADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)ncc1N1CCOCC1)[C@@H]2C ZINC001164857771 720965676 /nfs/dbraw/zinc/96/56/76/720965676.db2.gz HEIXFSMEFBVLOQ-OAHLLOKOSA-N 1 1 419.961 2.585 20 0 HFADMO CCOC(=O)c1ncnc(Cl)c1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164858083 720994174 /nfs/dbraw/zinc/99/41/74/720994174.db2.gz GRUKYHSGFVEFSZ-ZDUSSCGKSA-N 1 1 406.918 2.925 20 0 HFADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)[C@H]2C ZINC001164859558 721021275 /nfs/dbraw/zinc/02/12/75/721021275.db2.gz JEXZKDXFQCIPSP-HOCLYGCPSA-N 1 1 420.945 2.916 20 0 HFADMO CCOC(=O)c1cnc(Cl)cc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868743 721044518 /nfs/dbraw/zinc/04/45/18/721044518.db2.gz QENZHPQFCUYFDJ-SJORKVTESA-N 1 1 416.909 2.786 20 0 HFADMO COc1ccc2nc(Cl)nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164762500 721072291 /nfs/dbraw/zinc/07/22/91/721072291.db2.gz FDGWUQQNEMPXKX-JKSUJKDBSA-N 1 1 412.925 2.984 20 0 HFADMO CCOC(=O)c1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1 ZINC001164863824 721095192 /nfs/dbraw/zinc/09/51/92/721095192.db2.gz DHRILTNJKYUJMJ-ZWKOTPCHSA-N 1 1 416.909 2.786 20 0 HFADMO CCOC(=O)c1c(C)cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1C ZINC001164865478 721103097 /nfs/dbraw/zinc/10/30/97/721103097.db2.gz LOXNGRDYKWSTSG-PMACEKPBSA-N 1 1 410.518 2.750 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccnc(NC(=O)OC(C)(C)C)n4)C[C@H]3C2)cn1 ZINC001164765726 721106975 /nfs/dbraw/zinc/10/69/75/721106975.db2.gz KHKLVUUUCMAVOH-IAGOWNOFSA-N 1 1 413.526 2.515 20 0 HFADMO COc1ccc2nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c(Cl)nc2c1 ZINC001164770951 721112310 /nfs/dbraw/zinc/11/23/10/721112310.db2.gz RQCRQLNOLUEIEB-HOTGVXAUSA-N 1 1 412.925 2.984 20 0 HFADMO CCOC(=O)/C=C/c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164865314 721112626 /nfs/dbraw/zinc/11/26/26/721112626.db2.gz JUWLWMSNFHZUPF-JHNWYVAOSA-N 1 1 408.502 2.533 20 0 HFADMO COC(=O)c1ccc2nc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)ccc2c1 ZINC001164768166 721115674 /nfs/dbraw/zinc/11/56/74/721115674.db2.gz NNCGWTXZYCUQNC-UXHICEINSA-N 1 1 405.502 2.713 20 0 HFADMO Fc1ncccc1-c1ccnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164864372 721115989 /nfs/dbraw/zinc/11/59/89/721115989.db2.gz FPBRMEXUAIUDOF-ROUUACIJSA-N 1 1 406.465 2.552 20 0 HFADMO CCCN(CCC)c1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)ncn1 ZINC001164862806 721116138 /nfs/dbraw/zinc/11/61/38/721116138.db2.gz AOODYIRWYNSRKB-SFTDATJTSA-N 1 1 410.566 2.978 20 0 HFADMO COc1cc2nc(C)nc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2cc1OC ZINC001164763403 721136527 /nfs/dbraw/zinc/13/65/27/721136527.db2.gz FMNWOEPCEPDTPA-QZTJIDSGSA-N 1 1 422.533 2.647 20 0 HFADMO COc1ccc2nc(Cl)cc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2n1 ZINC001164765683 721142791 /nfs/dbraw/zinc/14/27/91/721142791.db2.gz KBJQVIUKBXVWBG-HZPDHXFCSA-N 1 1 412.925 2.984 20 0 HFADMO Cc1cc(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(Cl)nn1 ZINC001164880290 721149235 /nfs/dbraw/zinc/14/92/35/721149235.db2.gz VSDTVZOGXWQUOF-JKSUJKDBSA-N 1 1 409.868 2.858 20 0 HFADMO CC1CCN(c2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)CC1 ZINC001164877652 721149871 /nfs/dbraw/zinc/14/98/71/721149871.db2.gz POKVEQCTTURBDF-SFTDATJTSA-N 1 1 408.550 2.588 20 0 HFADMO Cc1cc(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)nn1 ZINC001164880288 721150579 /nfs/dbraw/zinc/15/05/79/721150579.db2.gz VSDTVZOGXWQUOF-HZPDHXFCSA-N 1 1 409.868 2.858 20 0 HFADMO COc1ccc2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c(C)nc2c1 ZINC001164880454 721161060 /nfs/dbraw/zinc/16/10/60/721161060.db2.gz WTTDJFYPSNXOEF-AZUAARDMSA-N 1 1 405.502 2.822 20 0 HFADMO CC(C)n1cnc2c1nc(Cl)nc2N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164763404 721172389 /nfs/dbraw/zinc/17/23/89/721172389.db2.gz FVHHGPSHEUJJBL-CVEARBPZSA-N 1 1 414.945 2.752 20 0 HFADMO c1cncc(CO[C@H]2C[C@@H]3CN(c4cncc(OCC5CCCC5)n4)CC[N@H+]3C2)c1 ZINC001164880379 721185245 /nfs/dbraw/zinc/18/52/45/721185245.db2.gz WBQCQSSVHCMLNN-RTWAWAEBSA-N 1 1 409.534 2.920 20 0 HFADMO CCCSc1ncnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1OC ZINC001164866454 721187864 /nfs/dbraw/zinc/18/78/64/721187864.db2.gz ASRWUTOCDKSWDX-QZTJIDSGSA-N 1 1 415.563 2.862 20 0 HFADMO COc1ccccc1-c1ccc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nn1 ZINC001164770786 721202333 /nfs/dbraw/zinc/20/23/33/721202333.db2.gz OKLJVQWPNYJFEH-MOPGFXCFSA-N 1 1 404.518 2.844 20 0 HFADMO COc1ccccc1-c1ccnc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164761439 721209228 /nfs/dbraw/zinc/20/92/28/721209228.db2.gz BAHPIWODYGENPC-OALUTQOASA-N 1 1 404.518 2.844 20 0 HFADMO CSc1ccnc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164777720 721338286 /nfs/dbraw/zinc/33/82/86/721338286.db2.gz PSRNPEZBSUIPFH-FQEVSTJZSA-N 1 1 403.552 2.922 20 0 HFADMO CSc1ccnc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164777720 721338289 /nfs/dbraw/zinc/33/82/89/721338289.db2.gz PSRNPEZBSUIPFH-FQEVSTJZSA-N 1 1 403.552 2.922 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001164887501 721339544 /nfs/dbraw/zinc/33/95/44/721339544.db2.gz UZVJPLOKGCXHGD-UWJYYQICSA-N 1 1 407.942 2.558 20 0 HFADMO CSc1cnc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164783813 721355772 /nfs/dbraw/zinc/35/57/72/721355772.db2.gz PSYRMROUWCYTSU-FQEVSTJZSA-N 1 1 403.552 2.922 20 0 HFADMO CSc1cnc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164783813 721355776 /nfs/dbraw/zinc/35/57/76/721355776.db2.gz PSYRMROUWCYTSU-FQEVSTJZSA-N 1 1 403.552 2.922 20 0 HFADMO Cc1cc2ncnc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2[nH]1 ZINC001164780751 721356712 /nfs/dbraw/zinc/35/67/12/721356712.db2.gz HBNZXXTYKPYFSG-JOCHJYFZSA-N 1 1 410.522 2.990 20 0 HFADMO Cc1cc2c(ncnc2N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)s1 ZINC001164885003 721379831 /nfs/dbraw/zinc/37/98/31/721379831.db2.gz BLVPXYPUWIPFJH-UTKZUKDTSA-N 1 1 401.580 2.765 20 0 HFADMO Cc1nc2cc(F)ccc2c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164890897 721397079 /nfs/dbraw/zinc/39/70/79/721397079.db2.gz PCQJWXBDRYXNNX-AUSIDOKSSA-N 1 1 413.541 2.843 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4SCC5)C3)O2)CC1 ZINC001164892446 721401874 /nfs/dbraw/zinc/40/18/74/721401874.db2.gz YGRFTWOQRRYNEC-YWZLYKJASA-N 1 1 424.014 2.544 20 0 HFADMO CSc1nc(Cl)ncc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164886345 721411201 /nfs/dbraw/zinc/41/12/01/721411201.db2.gz JCZVZOWCARBDFN-KXBFYZLASA-N 1 1 412.003 2.617 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)cc(C5CC5)n4)C3)O2)CC1 ZINC001164883488 721415040 /nfs/dbraw/zinc/41/50/40/721415040.db2.gz ACSPWRQXUHEJSN-LAUBAEHRSA-N 1 1 405.974 2.773 20 0 HFADMO c1csc(C[NH+]2C[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)C[C@@H]3C2)n1 ZINC001164782062 721427410 /nfs/dbraw/zinc/42/74/10/721427410.db2.gz FLJMBRREMMVTBG-IRXDYDNUSA-N 1 1 421.526 2.940 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cnc(-c5ccccc5)cn4)C3)O2)CC1 ZINC001164896063 721434108 /nfs/dbraw/zinc/43/41/08/721434108.db2.gz QJYVPWMNXUYENC-XUZZJYLKSA-N 1 1 407.562 2.909 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccsc5)nn4)C3)O2)CC1 ZINC001164898506 721445153 /nfs/dbraw/zinc/44/51/53/721445153.db2.gz WCYNYURJCZHSHQ-DENIHFKCSA-N 1 1 413.591 2.971 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(C(=O)OC)n1)CC2 ZINC001164788641 721450819 /nfs/dbraw/zinc/45/08/19/721450819.db2.gz RXSJHNNLPBUTRA-LJQANCHMSA-N 1 1 417.550 2.602 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(C5CCC5)nc5[nH]ccc54)C3)O2)CC1 ZINC001164892805 721453314 /nfs/dbraw/zinc/45/33/14/721453314.db2.gz YHTWZURRMXIGDG-YADARESESA-N 1 1 424.593 2.991 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)cc(OC)n1)CC2 ZINC001164785840 721458585 /nfs/dbraw/zinc/45/85/85/721458585.db2.gz NXLIDKNTPFFEGB-IBGZPJMESA-N 1 1 404.555 2.528 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(Cl)c[n+]1[O-])CC2 ZINC001164783508 721465292 /nfs/dbraw/zinc/46/52/92/721465292.db2.gz DGYMXAWQWUIHKY-LJQANCHMSA-N 1 1 409.958 2.707 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(OC)ncc1Cl)CC2 ZINC001164789480 721470732 /nfs/dbraw/zinc/47/07/32/721470732.db2.gz NFPYYCUVCANGIH-QGZVFWFLSA-N 1 1 424.973 2.873 20 0 HFADMO COC(=O)c1ccc2c(c1)ncnc2N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164896359 721516736 /nfs/dbraw/zinc/51/67/36/721516736.db2.gz BDWIYPYTXSBEOX-IEBWSBKVSA-N 1 1 422.460 2.897 20 0 HFADMO CCOC(=O)c1cc(Cl)nnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164899705 721522138 /nfs/dbraw/zinc/52/21/38/721522138.db2.gz LULYQBWSCBERQA-GDBMZVCRSA-N 1 1 420.872 2.788 20 0 HFADMO Cc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1N1CCCC1 ZINC001164794561 721524194 /nfs/dbraw/zinc/52/41/94/721524194.db2.gz FWUCHDHTEGQSMA-ACRUOGEOSA-N 1 1 408.550 2.648 20 0 HFADMO Cc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1N1CCCC1 ZINC001164794561 721524198 /nfs/dbraw/zinc/52/41/98/721524198.db2.gz FWUCHDHTEGQSMA-ACRUOGEOSA-N 1 1 408.550 2.648 20 0 HFADMO Cc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1N1CCCC1 ZINC001164794565 721524543 /nfs/dbraw/zinc/52/45/43/721524543.db2.gz FWUCHDHTEGQSMA-PCCBWWKXSA-N 1 1 408.550 2.648 20 0 HFADMO Cc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1N1CCCC1 ZINC001164794565 721524545 /nfs/dbraw/zinc/52/45/45/721524545.db2.gz FWUCHDHTEGQSMA-PCCBWWKXSA-N 1 1 408.550 2.648 20 0 HFADMO COC(=O)c1cnc(Cl)cc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164795074 721526555 /nfs/dbraw/zinc/52/65/55/721526555.db2.gz JDMBSPRQRMBDEY-IMFGXOCKSA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1cnc(Cl)cc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164795074 721526557 /nfs/dbraw/zinc/52/65/57/721526557.db2.gz JDMBSPRQRMBDEY-IMFGXOCKSA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1c(Cl)ccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164805991 721530652 /nfs/dbraw/zinc/53/06/52/721530652.db2.gz NESAZYHPXRMCQB-JENIJYKNSA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1c(Cl)ccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164805991 721530656 /nfs/dbraw/zinc/53/06/56/721530656.db2.gz NESAZYHPXRMCQB-JENIJYKNSA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1cc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164811108 721530755 /nfs/dbraw/zinc/53/07/55/721530755.db2.gz YRIZYXKTPJZNTP-ABSDTBQOSA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1cc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164811108 721530758 /nfs/dbraw/zinc/53/07/58/721530758.db2.gz YRIZYXKTPJZNTP-ABSDTBQOSA-N 1 1 416.909 2.785 20 0 HFADMO COc1ccc2cnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc2c1 ZINC001164806065 721544146 /nfs/dbraw/zinc/54/41/46/721544146.db2.gz NPDPSGIFUOPFID-FKBYEOEOSA-N 1 1 405.502 2.902 20 0 HFADMO COc1ccc2cnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc2c1 ZINC001164806065 721544149 /nfs/dbraw/zinc/54/41/49/721544149.db2.gz NPDPSGIFUOPFID-FKBYEOEOSA-N 1 1 405.502 2.902 20 0 HFADMO Cc1nc2c(nc(Cl)nc2N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1C ZINC001164905301 721551293 /nfs/dbraw/zinc/55/12/93/721551293.db2.gz GMVZMRGVRRJRIM-ZBFHGGJFSA-N 1 1 416.888 2.806 20 0 HFADMO COC(=O)c1c(C)cc(C)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164807833 721551961 /nfs/dbraw/zinc/55/19/61/721551961.db2.gz RMJKCKYPEMTIDM-DYXWJJEUSA-N 1 1 410.518 2.748 20 0 HFADMO COC(=O)c1c(C)cc(C)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164807833 721551965 /nfs/dbraw/zinc/55/19/65/721551965.db2.gz RMJKCKYPEMTIDM-DYXWJJEUSA-N 1 1 410.518 2.748 20 0 HFADMO COc1ccc2c(c1)ncnc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164810478 721554295 /nfs/dbraw/zinc/55/42/95/721554295.db2.gz YLELSKGWFQOGLQ-FKBYEOEOSA-N 1 1 405.502 2.902 20 0 HFADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc(N5CCSCC5)ncn4)CC[N@H+]3C2)c1 ZINC001164903101 721561034 /nfs/dbraw/zinc/56/10/34/721561034.db2.gz AKRFZPWFIFPNBI-IEBWSBKVSA-N 1 1 415.538 2.511 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(-c3cccnc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164806244 721561555 /nfs/dbraw/zinc/56/15/55/721561555.db2.gz PKTIYDBKSBBVNX-SJBKTWHCSA-N 1 1 402.502 2.802 20 0 HFADMO COc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc2ccccc21 ZINC001164799638 721561724 /nfs/dbraw/zinc/56/17/24/721561724.db2.gz CZPMDLLDBLPKPQ-HKBOAZHASA-N 1 1 405.502 2.902 20 0 HFADMO COc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc2ccccc21 ZINC001164799638 721561729 /nfs/dbraw/zinc/56/17/29/721561729.db2.gz CZPMDLLDBLPKPQ-HKBOAZHASA-N 1 1 405.502 2.902 20 0 HFADMO CCOC(=O)c1cnc(CC)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903482 721562979 /nfs/dbraw/zinc/56/29/79/721562979.db2.gz BJKRRHCBEDRTDP-SJLPKXTDSA-N 1 1 414.481 2.697 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(N3CCCCC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164810439 721565582 /nfs/dbraw/zinc/56/55/82/721565582.db2.gz YILMXURRPWTGDK-SJBKTWHCSA-N 1 1 408.550 2.730 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(N3CCCCC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164810439 721565584 /nfs/dbraw/zinc/56/55/84/721565584.db2.gz YILMXURRPWTGDK-SJBKTWHCSA-N 1 1 408.550 2.730 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(=O)N3CCCC3)ccn2)[C@@H]2CCCO[C@H]12 ZINC001164802396 721567991 /nfs/dbraw/zinc/56/79/91/721567991.db2.gz IHECTZKYKXHTGK-XPNTWCBSSA-N 1 1 421.545 2.581 20 0 HFADMO O=C1COc2ccnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2N1 ZINC001164908713 721706390 /nfs/dbraw/zinc/70/63/90/721706390.db2.gz YTGXIBLRPFSWLU-FQEVSTJZSA-N 1 1 415.444 2.545 20 0 HFADMO CNC(=O)c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907053 721713588 /nfs/dbraw/zinc/71/35/88/721713588.db2.gz PWZUPMPGGWWNKB-HXUWFJFHSA-N 1 1 401.461 2.574 20 0 HFADMO CCOC(=O)c1nccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912604 721728932 /nfs/dbraw/zinc/72/89/32/721728932.db2.gz OMXYQINAKQNRLH-FQEVSTJZSA-N 1 1 417.460 2.786 20 0 HFADMO NC(=S)Nc1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164909677 721731058 /nfs/dbraw/zinc/73/10/58/721731058.db2.gz CVFNNRQRUXBKOZ-IBGZPJMESA-N 1 1 418.517 2.870 20 0 HFADMO CCOC(=O)c1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)ncn1 ZINC001164908497 721751497 /nfs/dbraw/zinc/75/14/97/721751497.db2.gz KOTPIKSOBMEYEA-UHFFFAOYSA-N 1 1 407.474 2.836 20 0 HFADMO CCOC(=O)c1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)ncn1 ZINC001164908497 721751502 /nfs/dbraw/zinc/75/15/02/721751502.db2.gz KOTPIKSOBMEYEA-UHFFFAOYSA-N 1 1 407.474 2.836 20 0 HFADMO Clc1cc2[nH]ccc2c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913614 721774505 /nfs/dbraw/zinc/77/45/05/721774505.db2.gz YMXCBALNWIFADR-NRFANRHFSA-N 1 1 413.909 2.719 20 0 HFADMO Clc1cc2[nH]ccc2c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913614 721774508 /nfs/dbraw/zinc/77/45/08/721774508.db2.gz YMXCBALNWIFADR-NRFANRHFSA-N 1 1 413.909 2.719 20 0 HFADMO Cc1nc2cc(F)ccc2c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913266 721776221 /nfs/dbraw/zinc/77/62/21/721776221.db2.gz VBMQMSCTFMJHFE-HSZRJFAPSA-N 1 1 423.492 2.580 20 0 HFADMO Cc1nc2cc(F)ccc2c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913266 721776225 /nfs/dbraw/zinc/77/62/25/721776225.db2.gz VBMQMSCTFMJHFE-HSZRJFAPSA-N 1 1 423.492 2.580 20 0 HFADMO Cc1nc2ccc(F)cc2c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912646 721776384 /nfs/dbraw/zinc/77/63/84/721776384.db2.gz NUGOJTLMCJPVQS-HSZRJFAPSA-N 1 1 423.492 2.580 20 0 HFADMO Cc1nc2ccc(F)cc2c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912646 721776385 /nfs/dbraw/zinc/77/63/85/721776385.db2.gz NUGOJTLMCJPVQS-HSZRJFAPSA-N 1 1 423.492 2.580 20 0 HFADMO Fc1ccc2ccnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164914631 721784462 /nfs/dbraw/zinc/78/44/62/721784462.db2.gz FUGWHVBTWHPWRA-QHCPKHFHSA-N 1 1 408.477 2.877 20 0 HFADMO Fc1ccc2ccnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164914631 721784466 /nfs/dbraw/zinc/78/44/66/721784466.db2.gz FUGWHVBTWHPWRA-QHCPKHFHSA-N 1 1 408.477 2.877 20 0 HFADMO Cc1nc(Cl)cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1C ZINC001164914408 721785203 /nfs/dbraw/zinc/78/52/03/721785203.db2.gz CVIYRMSNPRMQIO-OAQYLSRUSA-N 1 1 402.926 2.855 20 0 HFADMO Cc1nc(Cl)cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1C ZINC001164914408 721785207 /nfs/dbraw/zinc/78/52/07/721785207.db2.gz CVIYRMSNPRMQIO-OAQYLSRUSA-N 1 1 402.926 2.855 20 0 HFADMO Fc1cccc2c1ccnc2N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916703 721785760 /nfs/dbraw/zinc/78/57/60/721785760.db2.gz SPTPJBPTNASHKL-HSZRJFAPSA-N 1 1 408.477 2.877 20 0 HFADMO Fc1cccc2c1ccnc2N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916703 721785762 /nfs/dbraw/zinc/78/57/62/721785762.db2.gz SPTPJBPTNASHKL-HSZRJFAPSA-N 1 1 408.477 2.877 20 0 HFADMO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3CNCC4)C[C@H]21 ZINC001165021368 721799702 /nfs/dbraw/zinc/79/97/02/721799702.db2.gz GNZMRADCHFOSQD-QKYXUNIQSA-N 1 1 412.969 2.908 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3CNCC4)C[C@H]21 ZINC001165021368 721799706 /nfs/dbraw/zinc/79/97/06/721799706.db2.gz GNZMRADCHFOSQD-QKYXUNIQSA-N 1 1 412.969 2.908 20 0 HFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@]4(C[C@H](Oc5cccnc5)CO4)C3)c2)CC1 ZINC001164916168 721807570 /nfs/dbraw/zinc/80/75/70/721807570.db2.gz OHOJSTSNLHWBMT-JTHBVZDNSA-N 1 1 410.518 2.766 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C(=O)NC4CC4)nn3)C[C@@H]21 ZINC001165030197 721827049 /nfs/dbraw/zinc/82/70/49/721827049.db2.gz YTQALYIZMJZERE-LKUPVBHCSA-N 1 1 406.534 2.501 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3NC(=O)CS4)C[C@@H]21 ZINC001165023135 721831365 /nfs/dbraw/zinc/83/13/65/721831365.db2.gz HUEYGHXEVXYRLV-HYVNUMGLSA-N 1 1 410.547 2.653 20 0 HFADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001164932244 721861256 /nfs/dbraw/zinc/86/12/56/721861256.db2.gz XRZGZTINOZTFEA-IRXDYDNUSA-N 1 1 417.941 2.675 20 0 HFADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001164932244 721861259 /nfs/dbraw/zinc/86/12/59/721861259.db2.gz XRZGZTINOZTFEA-IRXDYDNUSA-N 1 1 417.941 2.675 20 0 HFADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001164932245 721861432 /nfs/dbraw/zinc/86/14/32/721861432.db2.gz XRZGZTINOZTFEA-SJORKVTESA-N 1 1 417.941 2.675 20 0 HFADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001164932245 721861433 /nfs/dbraw/zinc/86/14/33/721861433.db2.gz XRZGZTINOZTFEA-SJORKVTESA-N 1 1 417.941 2.675 20 0 HFADMO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001165036050 721894254 /nfs/dbraw/zinc/89/42/54/721894254.db2.gz RHBDNULDAZXFSQ-KRWDZBQOSA-N 1 1 404.536 2.812 20 0 HFADMO Clc1nc2c(c(N3CC[NH+](C[C@H]4CCCO4)CC3)n1)CN(Cc1ccccc1)C2 ZINC001165040086 721905270 /nfs/dbraw/zinc/90/52/70/721905270.db2.gz XLWBJLIZBJLZJK-GOSISDBHSA-N 1 1 413.953 2.947 20 0 HFADMO Cc1ccc(CN2CCOC3(CCN(c4ccc(N5CC[NH2+]CC5)cn4)CC3)C2)cc1 ZINC001164938597 721928698 /nfs/dbraw/zinc/92/86/98/721928698.db2.gz ADVZSZHNZYYMOM-UHFFFAOYSA-N 1 1 421.589 2.671 20 0 HFADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(Cn5cncn5)cn4)CC3)C2)cc1 ZINC001164940721 721931563 /nfs/dbraw/zinc/93/15/63/721931563.db2.gz YRRDZTKPJZEQDS-UHFFFAOYSA-N 1 1 418.545 2.901 20 0 HFADMO CC(C)(C)C(=O)Nc1ccnc(N2CCn3cccc3C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001165052201 721991829 /nfs/dbraw/zinc/99/18/29/721991829.db2.gz UDSLIRYFERHLOR-QGZVFWFLSA-N 1 1 411.550 2.702 20 0 HFADMO CN(C)C(=O)N[C@@H]1CCO[C@@]2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C2)C1 ZINC001164954854 722009300 /nfs/dbraw/zinc/00/93/00/722009300.db2.gz PGNVTYILKDUNJX-UTKZUKDTSA-N 1 1 421.973 2.730 20 0 HFADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[NH+](CCc3ccccn3)CC2)c1 ZINC001165056572 722014318 /nfs/dbraw/zinc/01/43/18/722014318.db2.gz WQLQJLWLBULWCR-UHFFFAOYSA-N 1 1 401.942 2.977 20 0 HFADMO COC(=O)c1cc2cnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc2n1C ZINC001164955456 722021460 /nfs/dbraw/zinc/02/14/60/722021460.db2.gz HNYDCFMZYDFASS-UHFFFAOYSA-N 1 1 420.517 2.642 20 0 HFADMO COc1cnc(Cl)nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164961188 722052389 /nfs/dbraw/zinc/05/23/89/722052389.db2.gz UUTKLZGDNXGVEZ-UHFFFAOYSA-N 1 1 403.914 2.653 20 0 HFADMO Clc1[n-][nH+]c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c2ncnc1-2 ZINC001164964819 722057861 /nfs/dbraw/zinc/05/78/61/722057861.db2.gz YCEBDZJBVRSENS-UHFFFAOYSA-N 1 1 413.913 2.520 20 0 HFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4[C@@H]3CCN4C(=O)c3cscn3)c2)CC1 ZINC001164966323 722065527 /nfs/dbraw/zinc/06/55/27/722065527.db2.gz QVAGEIWKLWZGCR-RBUKOAKNSA-N 1 1 413.547 2.505 20 0 HFADMO O=C(c1cnc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c(Cl)c1)N1CCCCC1 ZINC001164967431 722076187 /nfs/dbraw/zinc/07/61/87/722076187.db2.gz QCJOREMGTWPYNE-HDICACEKSA-N 1 1 404.942 2.661 20 0 HFADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCCn3c(Cn4cccn4)nnc3C2)nc1 ZINC001164973365 722089090 /nfs/dbraw/zinc/08/90/90/722089090.db2.gz JVGADZYACSZGMK-IBGZPJMESA-N 1 1 406.538 2.875 20 0 HFADMO CCOC(=O)c1cc(C)cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983444 722105678 /nfs/dbraw/zinc/10/56/78/722105678.db2.gz QDUDMQVIWJMTKT-PZJWPPBQSA-N 1 1 410.518 2.689 20 0 HFADMO COc1nc2ccccc2nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164986209 722107090 /nfs/dbraw/zinc/10/70/90/722107090.db2.gz YJCHDJKWHNHMKC-WIYYLYMNSA-N 1 1 405.502 2.761 20 0 HFADMO CC(C)(C)NC(=O)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164983124 722118911 /nfs/dbraw/zinc/11/89/11/722118911.db2.gz YIDFMNLLMZFBOS-SFTDATJTSA-N 1 1 423.561 2.732 20 0 HFADMO CCOC(=O)c1c(C)cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1C ZINC001164971465 722125541 /nfs/dbraw/zinc/12/55/41/722125541.db2.gz COLHISKXBJMJKG-SFTDATJTSA-N 1 1 424.545 2.997 20 0 HFADMO Nc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164970932 722125615 /nfs/dbraw/zinc/12/56/15/722125615.db2.gz ASUUAMZAYUOZBO-WBVHZDCISA-N 1 1 423.895 2.984 20 0 HFADMO Nc1cc(Cl)nc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164970928 722125689 /nfs/dbraw/zinc/12/56/89/722125689.db2.gz ASUUAMZAYUOZBO-DOTOQJQBSA-N 1 1 423.895 2.984 20 0 HFADMO COc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc2ccccc21 ZINC001164973042 722125715 /nfs/dbraw/zinc/12/57/15/722125715.db2.gz GDJRDZYAJFEYTQ-RXVVDRJESA-N 1 1 405.502 2.761 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4nccc(N5CCCCC5)n4)CC[C@H]3C2)c1 ZINC001164972695 722128631 /nfs/dbraw/zinc/12/86/31/722128631.db2.gz AIBJWLJPOQOBHQ-LEWJYISDSA-N 1 1 408.550 2.589 20 0 HFADMO CCOC(=O)/C=C\c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164978070 722129864 /nfs/dbraw/zinc/12/98/64/722129864.db2.gz JMXWMOPXQHTLFU-OOBCZCDPSA-N 1 1 422.529 2.780 20 0 HFADMO COc1cc2c(cc1F)ncnc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983871 722130067 /nfs/dbraw/zinc/13/00/67/722130067.db2.gz VWUFVAXQWCVHQS-JTSKRJEESA-N 1 1 423.492 2.900 20 0 HFADMO CCOC(=O)/C=C/c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164978073 722130112 /nfs/dbraw/zinc/13/01/12/722130112.db2.gz JMXWMOPXQHTLFU-UBYOCFDASA-N 1 1 422.529 2.780 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4cncc(N5CCCCC5)n4)CC[C@@H]3C2)c1 ZINC001164980926 722131507 /nfs/dbraw/zinc/13/15/07/722131507.db2.gz NTRHIARKFIAGTM-RTWAWAEBSA-N 1 1 408.550 2.589 20 0 HFADMO Fc1ncccc1-c1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984235 722131773 /nfs/dbraw/zinc/13/17/73/722131773.db2.gz WPWHUGYTEOYFPR-GHTZIAJQSA-N 1 1 420.492 2.800 20 0 HFADMO FC(F)(c1cncc(Cl)n1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978865 722134185 /nfs/dbraw/zinc/13/41/85/722134185.db2.gz KBQKMFIQDIMGNI-JKSUJKDBSA-N 1 1 409.868 2.797 20 0 HFADMO Nc1cc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cnc1Cl ZINC001164977083 722136970 /nfs/dbraw/zinc/13/69/70/722136970.db2.gz IRGFRKYUHYXBRT-CRAIPNDOSA-N 1 1 423.895 2.984 20 0 HFADMO CSc1ncc(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976137 722137220 /nfs/dbraw/zinc/13/72/20/722137220.db2.gz HKBFOFCPPNYMOK-HOTGVXAUSA-N 1 1 405.955 2.974 20 0 HFADMO Cc1noc(-c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2)n1 ZINC001164979573 722145029 /nfs/dbraw/zinc/14/50/29/722145029.db2.gz LGECFDPDBKHJKS-UXHICEINSA-N 1 1 406.490 2.562 20 0 HFADMO CNC(=O)c1cc(Cl)nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164997455 722212982 /nfs/dbraw/zinc/21/29/82/722212982.db2.gz QLHZOPDKEJKUHF-FQEVSTJZSA-N 1 1 403.889 2.874 20 0 HFADMO Cc1ccc(-c2ccc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nn2)cc1 ZINC001165001865 722237003 /nfs/dbraw/zinc/23/70/03/722237003.db2.gz NOOVMBKJJAASHU-UHFFFAOYSA-N 1 1 415.545 2.599 20 0 HFADMO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(Br)n2)C[N@H+]1Cc1ccccc1 ZINC000793006948 1078046930 /nfs/dbraw/zinc/04/69/30/1078046930.db2.gz PAFSPZHAIWSKAL-UKRRQHHQSA-N 1 1 417.307 2.562 20 0 HFADMO C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3C[C@H]4[C@@](CN(Cc5ccc(Cl)cc5)S4(=O)=O)(C2)O3)C1 ZINC001170139443 1078051768 /nfs/dbraw/zinc/05/17/68/1078051768.db2.gz VAMRXPFWHMENFW-SBUWESJJSA-N 1 1 410.967 2.886 20 0 HFADMO C[C@]1(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793037472 1078053510 /nfs/dbraw/zinc/05/35/10/1078053510.db2.gz HAOLNPSPVMPFBQ-UGKGYDQZSA-N 1 1 400.523 2.571 20 0 HFADMO O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790549075 1078053651 /nfs/dbraw/zinc/05/36/51/1078053651.db2.gz ULASNNPLQDXMDH-QFIPXVFZSA-N 1 1 419.485 2.500 20 0 HFADMO CCOC(=O)C1(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2F)CCCC1 ZINC000790548357 1078054052 /nfs/dbraw/zinc/05/40/52/1078054052.db2.gz CHKMSOLUZHKKNF-AWEZNQCLSA-N 1 1 401.276 2.828 20 0 HFADMO COc1ccc(CCN2C(=O)C[C@H]([N@@H+]3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)C2=O)cc1 ZINC000790587453 1078062658 /nfs/dbraw/zinc/06/26/58/1078062658.db2.gz UYNYRACEHMUHER-FCEWJHQRSA-N 1 1 411.329 2.881 20 0 HFADMO COc1ccc(CCN2C(=O)C[C@H]([N@H+]3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)C2=O)cc1 ZINC000790587453 1078062668 /nfs/dbraw/zinc/06/26/68/1078062668.db2.gz UYNYRACEHMUHER-FCEWJHQRSA-N 1 1 411.329 2.881 20 0 HFADMO CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000790599052 1078064034 /nfs/dbraw/zinc/06/40/34/1078064034.db2.gz RMXUHPKRDBOWHE-MSOLQXFVSA-N 1 1 403.523 2.946 20 0 HFADMO C[C@@H]1C[C@H](NC(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000793087399 1078065333 /nfs/dbraw/zinc/06/53/33/1078065333.db2.gz YCHJHZJBZDOZCN-TVTNDZMWSA-N 1 1 400.523 2.712 20 0 HFADMO C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(SC(F)F)nc2)C[C@@H]1Cc1ccccc1 ZINC000793108749 1078080388 /nfs/dbraw/zinc/08/03/88/1078080388.db2.gz OHRDGGAMHAQTOR-INIZCTEOSA-N 1 1 420.485 2.720 20 0 HFADMO C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(SC(F)F)nc2)C[C@@H]1Cc1ccccc1 ZINC000793108749 1078080393 /nfs/dbraw/zinc/08/03/93/1078080393.db2.gz OHRDGGAMHAQTOR-INIZCTEOSA-N 1 1 420.485 2.720 20 0 HFADMO O=C1C(=O)N(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C(=O)N1CCC1=CCCCC1 ZINC000772828640 1078093908 /nfs/dbraw/zinc/09/39/08/1078093908.db2.gz NZWIDKPKCTVIGN-AZUAARDMSA-N 1 1 414.550 2.574 20 0 HFADMO COCC1(C(=O)NCC[N@@H+](C)Cc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793170571 1078093971 /nfs/dbraw/zinc/09/39/71/1078093971.db2.gz RJDGAOKOZUPOPD-UHFFFAOYSA-N 1 1 419.566 2.898 20 0 HFADMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)C[C@@H](C)O1 ZINC000793186174 1078096641 /nfs/dbraw/zinc/09/66/41/1078096641.db2.gz UIJFSFRHYWLNCK-BDXSIMOUSA-N 1 1 409.571 2.732 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000793212559 1078107522 /nfs/dbraw/zinc/10/75/22/1078107522.db2.gz IOTUCPJBFGRUQB-AWEZNQCLSA-N 1 1 406.490 2.840 20 0 HFADMO CC(C)(C)OC(=O)N1CCCc2cc(C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)ccc21 ZINC000793290325 1078119532 /nfs/dbraw/zinc/11/95/32/1078119532.db2.gz FGJFIWZYHXJHHX-MOPGFXCFSA-N 1 1 415.534 2.967 20 0 HFADMO C[C@]12CCN(C(=O)NCc3ccccc3C[N@H+]3CC[C@H](O)C3)C[C@H]1C2(Cl)Cl ZINC000790812997 1078127027 /nfs/dbraw/zinc/12/70/27/1078127027.db2.gz JDJFHJCYZZJPRF-SCTDSRPQSA-N 1 1 412.361 2.979 20 0 HFADMO CCOC(=O)c1cn(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1C(F)(F)F ZINC000772831233 1078138116 /nfs/dbraw/zinc/13/81/16/1078138116.db2.gz ZPWDVMVTRTZBLZ-XJKSGUPXSA-N 1 1 400.445 2.985 20 0 HFADMO Cc1[nH+]ccn1CCCC(=O)NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC000793482469 1078189324 /nfs/dbraw/zinc/18/93/24/1078189324.db2.gz YSAZHQDLKVTPNB-QFIPXVFZSA-N 1 1 409.490 2.513 20 0 HFADMO O=C1[C@@H](CCc2ccccc2)CCN1C[N@@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000793510346 1078194778 /nfs/dbraw/zinc/19/47/78/1078194778.db2.gz AOYWEZIPWZVIJA-LEWJYISDSA-N 1 1 418.541 2.958 20 0 HFADMO O=C1[C@@H](CCc2ccccc2)CCN1C[N@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000793510346 1078194782 /nfs/dbraw/zinc/19/47/82/1078194782.db2.gz AOYWEZIPWZVIJA-LEWJYISDSA-N 1 1 418.541 2.958 20 0 HFADMO C[N@@H+]1CCN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)C[C@@H]1Cc1ccccc1 ZINC000793503789 1078204639 /nfs/dbraw/zinc/20/46/39/1078204639.db2.gz GMCPHBCETCRYCP-SFHVURJKSA-N 1 1 422.497 2.611 20 0 HFADMO C[N@H+]1CCN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)C[C@@H]1Cc1ccccc1 ZINC000793503789 1078204642 /nfs/dbraw/zinc/20/46/42/1078204642.db2.gz GMCPHBCETCRYCP-SFHVURJKSA-N 1 1 422.497 2.611 20 0 HFADMO C[C@@H]([N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C(C)(C)O ZINC001170434647 1078207793 /nfs/dbraw/zinc/20/77/93/1078207793.db2.gz KHZWZGCOQFMBGX-CYBMUJFWSA-N 1 1 403.445 2.572 20 0 HFADMO C[N@@H+](Cc1cccc(I)c1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000793577860 1078213262 /nfs/dbraw/zinc/21/32/62/1078213262.db2.gz BODZIFVMRLBZDA-GFCCVEGCSA-N 1 1 412.193 2.886 20 0 HFADMO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2cccc(I)c2)C1 ZINC000793592124 1078217570 /nfs/dbraw/zinc/21/75/70/1078217570.db2.gz OEJIUENIKAMCMV-ZBFHGGJFSA-N 1 1 411.287 2.970 20 0 HFADMO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cccc(I)c2)C1 ZINC000793592124 1078217574 /nfs/dbraw/zinc/21/75/74/1078217574.db2.gz OEJIUENIKAMCMV-ZBFHGGJFSA-N 1 1 411.287 2.970 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CN2C(=O)C[C@](C)(c3ccc(F)cc3)C2=O)C1 ZINC000793598079 1078219517 /nfs/dbraw/zinc/21/95/17/1078219517.db2.gz MEVKRVADQZLVLD-DNQXCXABSA-N 1 1 424.472 2.617 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CN2C(=O)C[C@](C)(c3ccc(F)cc3)C2=O)C1 ZINC000793598079 1078219521 /nfs/dbraw/zinc/21/95/21/1078219521.db2.gz MEVKRVADQZLVLD-DNQXCXABSA-N 1 1 424.472 2.617 20 0 HFADMO Cc1cccc(C[N@@H+](C)Cn2c3ccc(S(=O)(=O)N(C)C)cc3oc2=O)c1C ZINC000793573087 1078225316 /nfs/dbraw/zinc/22/53/16/1078225316.db2.gz VEJZZMGDACMKFB-UHFFFAOYSA-N 1 1 403.504 2.551 20 0 HFADMO Cc1cccc(C[N@H+](C)Cn2c3ccc(S(=O)(=O)N(C)C)cc3oc2=O)c1C ZINC000793573087 1078225319 /nfs/dbraw/zinc/22/53/19/1078225319.db2.gz VEJZZMGDACMKFB-UHFFFAOYSA-N 1 1 403.504 2.551 20 0 HFADMO CCOC(=O)c1cnn(C[N@@H+]2CC[C@](C(=O)OC)(c3ccccc3)C2)c1C(F)F ZINC000793601837 1078220964 /nfs/dbraw/zinc/22/09/64/1078220964.db2.gz XVHJFJHYQQTJQY-HXUWFJFHSA-N 1 1 407.417 2.772 20 0 HFADMO CCOC(=O)c1cnn(C[N@H+]2CC[C@](C(=O)OC)(c3ccccc3)C2)c1C(F)F ZINC000793601837 1078220966 /nfs/dbraw/zinc/22/09/66/1078220966.db2.gz XVHJFJHYQQTJQY-HXUWFJFHSA-N 1 1 407.417 2.772 20 0 HFADMO COc1cc2c(cc1CN1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)O[C@H](C)C2 ZINC000793603946 1078222193 /nfs/dbraw/zinc/22/21/93/1078222193.db2.gz MWVGTVFNXSZMNA-QAPCUYQASA-N 1 1 405.539 2.659 20 0 HFADMO COc1cc2c(cc1CN1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)O[C@H](C)C2 ZINC000793603946 1078222196 /nfs/dbraw/zinc/22/21/96/1078222196.db2.gz MWVGTVFNXSZMNA-QAPCUYQASA-N 1 1 405.539 2.659 20 0 HFADMO CCC[C@H]1CN(C(=O)C(=O)NCc2ccc([C@H](C)O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000793645295 1078239713 /nfs/dbraw/zinc/23/97/13/1078239713.db2.gz ALRJRRAYMIUNFR-CVDCTZTESA-N 1 1 423.557 2.869 20 0 HFADMO CCC[C@H]1CN(C(=O)C(=O)NCc2ccc([C@H](C)O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000793645295 1078239715 /nfs/dbraw/zinc/23/97/15/1078239715.db2.gz ALRJRRAYMIUNFR-CVDCTZTESA-N 1 1 423.557 2.869 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H](O)c1ccccc1C(F)(F)F ZINC000793666759 1078245574 /nfs/dbraw/zinc/24/55/74/1078245574.db2.gz XFUXVPXDEJZBGL-OAHLLOKOSA-N 1 1 407.396 2.705 20 0 HFADMO C[N@H+]1CCC[C@H]2CN(C(=O)c3csc(CCNC(=O)OC(C)(C)C)n3)CC[C@@H]21 ZINC000793676960 1078250895 /nfs/dbraw/zinc/25/08/95/1078250895.db2.gz FYRZTIRWBZIDRQ-HOCLYGCPSA-N 1 1 408.568 2.767 20 0 HFADMO C[C@H]1C[C@@H](C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CCN1C(=O)OC(C)(C)C ZINC000793722345 1078265865 /nfs/dbraw/zinc/26/58/65/1078265865.db2.gz KRCKYKFTEUYUKK-ROUUACIJSA-N 1 1 411.587 2.839 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000793694320 1078270331 /nfs/dbraw/zinc/27/03/31/1078270331.db2.gz HEWMAUINDJISHD-MSOLQXFVSA-N 1 1 415.559 2.660 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)[C@H](O)c1c(F)cccc1Cl ZINC000793694336 1078270405 /nfs/dbraw/zinc/27/04/05/1078270405.db2.gz YITCOBGQMASPKF-DIFFPNOSSA-N 1 1 405.861 2.867 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC001170436645 1078278032 /nfs/dbraw/zinc/27/80/32/1078278032.db2.gz JMAFXYWUVDVRNP-HTAPYJJXSA-N 1 1 401.507 2.824 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000793695265 1078270928 /nfs/dbraw/zinc/27/09/28/1078270928.db2.gz NDZXVAAAEOVURD-KCZVDYSFSA-N 1 1 423.557 2.987 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000793695266 1078270946 /nfs/dbraw/zinc/27/09/46/1078270946.db2.gz NDZXVAAAEOVURD-RZUBCFFCSA-N 1 1 423.557 2.987 20 0 HFADMO C[C@@H](COc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000793694517 1078271594 /nfs/dbraw/zinc/27/15/94/1078271594.db2.gz MDZDQAJCXMQZKJ-UGKGYDQZSA-N 1 1 423.557 2.987 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000793808621 1078301534 /nfs/dbraw/zinc/30/15/34/1078301534.db2.gz WASPESGDMBGGEX-JXFKEZNVSA-N 1 1 403.486 2.597 20 0 HFADMO CCN(Cc1c(F)cccc1F)C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000793804884 1078304672 /nfs/dbraw/zinc/30/46/72/1078304672.db2.gz FMNWOGPACNJTKG-UHFFFAOYSA-N 1 1 413.428 2.519 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793793433 1078298932 /nfs/dbraw/zinc/29/89/32/1078298932.db2.gz REKWOCGHOYNEPH-ONTIZHBOSA-N 1 1 423.557 2.905 20 0 HFADMO CC[C@H]1Cc2ccccc2CN1C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000793808300 1078306035 /nfs/dbraw/zinc/30/60/35/1078306035.db2.gz UFVQXHKDYCVZID-FQEVSTJZSA-N 1 1 403.486 2.555 20 0 HFADMO Cc1ccc([C@@H](CNC(=O)C(=O)N[C@H](C)COc2ccc(C)cc2)[NH+]2CCCC2)o1 ZINC000793774821 1078308187 /nfs/dbraw/zinc/30/81/87/1078308187.db2.gz WFJTYPRJJLPXAG-YLJYHZDGSA-N 1 1 413.518 2.733 20 0 HFADMO Cc1ccc([C@@H](C)NC(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)s1 ZINC000793847307 1078313387 /nfs/dbraw/zinc/31/33/87/1078313387.db2.gz KTQZCYMOLANXAQ-NVXWUHKLSA-N 1 1 415.559 2.771 20 0 HFADMO Cc1ccc([C@@H](C)NC(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)s1 ZINC000793847307 1078313390 /nfs/dbraw/zinc/31/33/90/1078313390.db2.gz KTQZCYMOLANXAQ-NVXWUHKLSA-N 1 1 415.559 2.771 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000793811548 1078314338 /nfs/dbraw/zinc/31/43/38/1078314338.db2.gz XPFGURHBZBKTNN-XOBRGWDASA-N 1 1 421.476 2.771 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1Cc2nccn2C[C@H](Cn2nc(C)nc2C)C1 ZINC001170438351 1078314356 /nfs/dbraw/zinc/31/43/56/1078314356.db2.gz RMRLDGAEGRPKCL-VQTJNVASSA-N 1 1 422.533 2.973 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1Cc2nccn2C[C@H](Cn2nc(C)nc2C)C1 ZINC001170438351 1078314360 /nfs/dbraw/zinc/31/43/60/1078314360.db2.gz RMRLDGAEGRPKCL-VQTJNVASSA-N 1 1 422.533 2.973 20 0 HFADMO C[C@@H](O)C[N@H+]1CCN(C(=O)CCc2ccccc2NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000793873416 1078329939 /nfs/dbraw/zinc/32/99/39/1078329939.db2.gz AVWILERHXNGMPI-DLBZAZTESA-N 1 1 405.539 2.880 20 0 HFADMO CC[N@@H+](CCNC(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1)C(C)C ZINC000793877164 1078332608 /nfs/dbraw/zinc/33/26/08/1078332608.db2.gz VGLKSGMBYBCELT-UHFFFAOYSA-N 1 1 416.610 2.916 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000793932476 1078341557 /nfs/dbraw/zinc/34/15/57/1078341557.db2.gz UIJSOHBOXKJXNP-NVXWUHKLSA-N 1 1 400.910 2.611 20 0 HFADMO Cn1cc[nH+]c1N1CCC(NC(=O)c2csc(COc3ccc(F)cc3)n2)CC1 ZINC000793953264 1078346119 /nfs/dbraw/zinc/34/61/19/1078346119.db2.gz QMQNJDGLEJPNAK-UHFFFAOYSA-N 1 1 415.494 2.994 20 0 HFADMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793972309 1078349885 /nfs/dbraw/zinc/34/98/85/1078349885.db2.gz WBQDKJMSCIZMCQ-ACRUOGEOSA-N 1 1 422.529 2.711 20 0 HFADMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793972314 1078349923 /nfs/dbraw/zinc/34/99/23/1078349923.db2.gz WBQDKJMSCIZMCQ-NJYVYQBISA-N 1 1 422.529 2.711 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1Cc2ccnn2C[C@H](C(=O)N2CCCC2)C1 ZINC001170440479 1078350206 /nfs/dbraw/zinc/35/02/06/1078350206.db2.gz CSEWYDQQLHUEGA-MOPGFXCFSA-N 1 1 410.518 2.687 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1Cc2ccnn2C[C@H](C(=O)N2CCCC2)C1 ZINC001170440479 1078350210 /nfs/dbraw/zinc/35/02/10/1078350210.db2.gz CSEWYDQQLHUEGA-MOPGFXCFSA-N 1 1 410.518 2.687 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@]2(C1)C[C@H](NC(=O)N(C)C)CCO2 ZINC001170440916 1078355024 /nfs/dbraw/zinc/35/50/24/1078355024.db2.gz FPPFAMMQIULMGA-JBYIUTFZSA-N 1 1 403.523 2.631 20 0 HFADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)c2ccc3nccnc3c2)CC1 ZINC000794137026 1078377108 /nfs/dbraw/zinc/37/71/08/1078377108.db2.gz STSKKDFGBQXLQW-QGZVFWFLSA-N 1 1 404.470 2.692 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@H]2OCC(=O)N(c3cccc(F)c3)[C@@H]2C1 ZINC001170443940 1078391970 /nfs/dbraw/zinc/39/19/70/1078391970.db2.gz RNNQMQZVMFDSHP-SFGWALBWSA-N 1 1 412.461 2.992 20 0 HFADMO C[C@H](CNC(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)[N@@H+]1CCc2sccc2C1 ZINC000794217276 1078394941 /nfs/dbraw/zinc/39/49/41/1078394941.db2.gz GVFFAMPFNXFXAQ-KBEGMRNHSA-N 1 1 405.564 2.724 20 0 HFADMO C[C@H](CNC(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)[N@H+]1CCc2sccc2C1 ZINC000794217276 1078394943 /nfs/dbraw/zinc/39/49/43/1078394943.db2.gz GVFFAMPFNXFXAQ-KBEGMRNHSA-N 1 1 405.564 2.724 20 0 HFADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)COc2ccc(F)cc2)CC1 ZINC000794301300 1078405213 /nfs/dbraw/zinc/40/52/13/1078405213.db2.gz TXIBVAIEUNZDDO-QGZVFWFLSA-N 1 1 400.450 2.653 20 0 HFADMO C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)CCCC[NH+]2CCOCC2)C1 ZINC000804664815 1078474647 /nfs/dbraw/zinc/47/46/47/1078474647.db2.gz PBLNMZWZFBEYKM-WOJBJXKFSA-N 1 1 409.571 2.739 20 0 HFADMO C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)CCCC[NH+]2CCOCC2)C1 ZINC000804664813 1078474701 /nfs/dbraw/zinc/47/47/01/1078474701.db2.gz PBLNMZWZFBEYKM-UXHICEINSA-N 1 1 409.571 2.739 20 0 HFADMO Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1 ZINC000804429722 1078474979 /nfs/dbraw/zinc/47/49/79/1078474979.db2.gz NQJZXBRTKZLYLG-WMZHIEFXSA-N 1 1 423.557 2.656 20 0 HFADMO CCOC(=O)c1ccc2c(c1)nc(CN1CCC[C@@H]([NH+]3CCOCC3)C1)n2CC ZINC001170450464 1078475294 /nfs/dbraw/zinc/47/52/94/1078475294.db2.gz CFOSUKRDABQPRD-GOSISDBHSA-N 1 1 400.523 2.530 20 0 HFADMO C[C@@H](NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)NCCc1ccccc1 ZINC001129503641 1078494888 /nfs/dbraw/zinc/49/48/88/1078494888.db2.gz GEVBGHRDQCLYSP-VAMGGRTRSA-N 1 1 423.557 2.773 20 0 HFADMO Cc1nn(C)cc1C1=NO[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001129486374 1078506554 /nfs/dbraw/zinc/50/65/54/1078506554.db2.gz IWDNSTCATXEVMZ-SIKLNZKXSA-N 1 1 409.534 2.640 20 0 HFADMO COc1ccc(C(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)nc1Cl ZINC000804448615 1078516913 /nfs/dbraw/zinc/51/69/13/1078516913.db2.gz PIBXOVIPMHGIDD-SFHVURJKSA-N 1 1 414.937 2.776 20 0 HFADMO O=C(C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC001170452252 1078519701 /nfs/dbraw/zinc/51/97/01/1078519701.db2.gz UIKXHDJKMPMMOE-UONOGXRCSA-N 1 1 407.392 2.805 20 0 HFADMO O=C(C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC001170452252 1078519709 /nfs/dbraw/zinc/51/97/09/1078519709.db2.gz UIKXHDJKMPMMOE-UONOGXRCSA-N 1 1 407.392 2.805 20 0 HFADMO C[N@@H+](CCCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC001129515817 1078528326 /nfs/dbraw/zinc/52/83/26/1078528326.db2.gz WYAJVCFLOZNEAE-CQSZACIVSA-N 1 1 420.000 2.545 20 0 HFADMO COC(=O)c1cnc(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC000804498546 1078554039 /nfs/dbraw/zinc/55/40/39/1078554039.db2.gz QHORNPOHFQCRRU-IBGZPJMESA-N 1 1 409.408 2.936 20 0 HFADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nc3cc(Cl)ccn3n2)[C@@H](c2cnn(C)c2)C1 ZINC001129566463 1078560377 /nfs/dbraw/zinc/56/03/77/1078560377.db2.gz GUTFJTDFSGRVQE-HZPDHXFCSA-N 1 1 401.902 2.569 20 0 HFADMO CC(C)n1ncc2cc(C=CC(=O)N3CC([N@@H+](C)Cc4ccccc4)C3)c(=O)[nH]c21 ZINC000804530324 1078567478 /nfs/dbraw/zinc/56/74/78/1078567478.db2.gz DBQQJLZHWSXMFD-KTKRTIGZSA-N 1 1 405.502 2.662 20 0 HFADMO CC(=O)c1ccc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(S(N)(=O)=O)c1 ZINC000804529581 1078568388 /nfs/dbraw/zinc/56/83/88/1078568388.db2.gz DLABMVQDUVSNGR-IBGZPJMESA-N 1 1 401.532 2.637 20 0 HFADMO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC001129906077 1078578504 /nfs/dbraw/zinc/57/85/04/1078578504.db2.gz WABODPORWRTOPR-ROUUACIJSA-N 1 1 407.580 2.724 20 0 HFADMO CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000804536700 1078584576 /nfs/dbraw/zinc/58/45/76/1078584576.db2.gz ZOJSUKKGWIXXQQ-FXAWDEMLSA-N 1 1 411.468 2.814 20 0 HFADMO CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804536700 1078584581 /nfs/dbraw/zinc/58/45/81/1078584581.db2.gz ZOJSUKKGWIXXQQ-FXAWDEMLSA-N 1 1 411.468 2.814 20 0 HFADMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000804731261 1078589275 /nfs/dbraw/zinc/58/92/75/1078589275.db2.gz LCFNYZPBWJTGFE-FUHWJXTLSA-N 1 1 409.452 2.622 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)C1(n2cccn2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000804777103 1078602392 /nfs/dbraw/zinc/60/23/92/1078602392.db2.gz QCSJFEQABULKRN-SFHVURJKSA-N 1 1 419.570 2.600 20 0 HFADMO CCN1CC[NH+](CC(C)(C)NC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC1 ZINC001129962064 1078636445 /nfs/dbraw/zinc/63/64/45/1078636445.db2.gz NKBAOTXRSJNSES-UHFFFAOYSA-N 1 1 415.557 2.703 20 0 HFADMO Cc1oc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1CN1C(=O)c2ccccc2C1=O ZINC001129678643 1078666544 /nfs/dbraw/zinc/66/65/44/1078666544.db2.gz DWHWQHGQMYOGFY-QGZVFWFLSA-N 1 1 409.486 2.939 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000804828729 1078667777 /nfs/dbraw/zinc/66/77/77/1078667777.db2.gz XTLXIVAWVORZLQ-WOJBJXKFSA-N 1 1 414.594 2.872 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000804828384 1078668322 /nfs/dbraw/zinc/66/83/22/1078668322.db2.gz PAXHOJUJRKYPRJ-HXUWFJFHSA-N 1 1 422.573 2.882 20 0 HFADMO CCN(c1ccnc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)n1)C1CCCC1 ZINC001129736237 1078682796 /nfs/dbraw/zinc/68/27/96/1078682796.db2.gz YJYSUZSGIONOIO-MOPGFXCFSA-N 1 1 411.554 2.653 20 0 HFADMO CC(C)n1ncc2cc(C=CC(=O)N(C)CCC[N@@H+](C)Cc3ccco3)c(=O)[nH]c21 ZINC000804868322 1078692234 /nfs/dbraw/zinc/69/22/34/1078692234.db2.gz CXOZNEGBIFTKHE-CMDGGOBGSA-N 1 1 411.506 2.892 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000804644636 1078697031 /nfs/dbraw/zinc/69/70/31/1078697031.db2.gz MNJBSJFAJRROJS-DENIHFKCSA-N 1 1 422.573 2.928 20 0 HFADMO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCc3ccccc3OC2)CC[N@H+]1Cc1ccccc1 ZINC000804644003 1078698741 /nfs/dbraw/zinc/69/87/41/1078698741.db2.gz VRHBRLSVXMFRJI-STZQEDGTSA-N 1 1 421.541 2.666 20 0 HFADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCc3ccccc3OC2)CC[N@H+]1Cc1ccccc1 ZINC000804644001 1078698862 /nfs/dbraw/zinc/69/88/62/1078698862.db2.gz VRHBRLSVXMFRJI-COPCDDAFSA-N 1 1 421.541 2.666 20 0 HFADMO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCc3ccccc3OC2)CC[N@H+]1Cc1ccccc1 ZINC000804644002 1078698937 /nfs/dbraw/zinc/69/89/37/1078698937.db2.gz VRHBRLSVXMFRJI-QIJUGHKUSA-N 1 1 421.541 2.666 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)C1 ZINC000804906503 1078729115 /nfs/dbraw/zinc/72/91/15/1078729115.db2.gz KQICKLPBSONRFT-SJCJKPOMSA-N 1 1 419.469 2.632 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)C1 ZINC000804906503 1078729123 /nfs/dbraw/zinc/72/91/23/1078729123.db2.gz KQICKLPBSONRFT-SJCJKPOMSA-N 1 1 419.469 2.632 20 0 HFADMO CCc1ccc([C@@H](O)CNC(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000804914214 1078736642 /nfs/dbraw/zinc/73/66/42/1078736642.db2.gz ZFJPOKQXULRWHL-XXBNENTESA-N 1 1 410.562 2.792 20 0 HFADMO O=C(NC[C@H]1CC1(Cl)Cl)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804941854 1078766371 /nfs/dbraw/zinc/76/63/71/1078766371.db2.gz FECNVXWQDROJHV-MSOLQXFVSA-N 1 1 411.377 2.782 20 0 HFADMO O=C(NC[C@@H]1CC1(Cl)Cl)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804941857 1078766413 /nfs/dbraw/zinc/76/64/13/1078766413.db2.gz FECNVXWQDROJHV-ZWKOTPCHSA-N 1 1 411.377 2.782 20 0 HFADMO O=C(NCc1ccc(Cl)nc1)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804933817 1078789236 /nfs/dbraw/zinc/78/92/36/1078789236.db2.gz LYHWBQCQKZFYPH-FQEVSTJZSA-N 1 1 413.953 2.837 20 0 HFADMO CC[NH+]1CCN(C(=O)c2cc(Cl)ccc2OS(=O)(=O)CCCCF)CC1 ZINC000804976770 1078811976 /nfs/dbraw/zinc/81/19/76/1078811976.db2.gz KJOAILJFWOVWBP-UHFFFAOYSA-N 1 1 406.907 2.576 20 0 HFADMO C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(C2(C)OCCO2)cc1)c1ccc(F)cc1 ZINC000805120895 1078903555 /nfs/dbraw/zinc/90/35/55/1078903555.db2.gz DYOXXPQCQKIGHQ-LJQANCHMSA-N 1 1 408.495 2.626 20 0 HFADMO C[C@H](NC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Br)cc1F ZINC000805075426 1078907369 /nfs/dbraw/zinc/90/73/69/1078907369.db2.gz XEDRFZPOOMLCSA-YUTCNCBUSA-N 1 1 400.292 2.812 20 0 HFADMO C[C@H](NC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1F ZINC000805075425 1078907422 /nfs/dbraw/zinc/90/74/22/1078907422.db2.gz XEDRFZPOOMLCSA-UBHSHLNASA-N 1 1 400.292 2.812 20 0 HFADMO COC[C@]1(CNC(=O)NCC[N@@H+](C)C2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC000805079581 1078910542 /nfs/dbraw/zinc/91/05/42/1078910542.db2.gz XQHLUARHDWZPGA-OAQYLSRUSA-N 1 1 412.575 2.576 20 0 HFADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000747231055 1078944245 /nfs/dbraw/zinc/94/42/45/1078944245.db2.gz DXXSMHIEONZCBX-CTNGQTDRSA-N 1 1 406.486 2.506 20 0 HFADMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC001130099619 1078949970 /nfs/dbraw/zinc/94/99/70/1078949970.db2.gz VRAIMLYCJUAYRE-LJQANCHMSA-N 1 1 413.543 2.604 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@@H]32)ccc1F ZINC000747228762 1078951783 /nfs/dbraw/zinc/95/17/83/1078951783.db2.gz LAQOOUKDNFZDAK-XLIONFOSSA-N 1 1 418.490 2.917 20 0 HFADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCC([C@@H](O)c3ccccc3C)CC2)CC1 ZINC000805180531 1078964988 /nfs/dbraw/zinc/96/49/88/1078964988.db2.gz KUIRLNKUINSJTO-AUSIDOKSSA-N 1 1 416.610 2.724 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(C(=O)NC[C@@H]1CC[N@H+](C3CC3)C1)C2 ZINC000805182230 1078965677 /nfs/dbraw/zinc/96/56/77/1078965677.db2.gz WBLGAAWSPXEDLW-JTSKRJEESA-N 1 1 406.571 2.903 20 0 HFADMO C[C@@](O)(CCNC(=O)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000805198912 1078971770 /nfs/dbraw/zinc/97/17/70/1078971770.db2.gz VHWMULYDJLLNGH-LOSJGSFVSA-N 1 1 423.557 2.571 20 0 HFADMO O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000805209352 1078988223 /nfs/dbraw/zinc/98/82/23/1078988223.db2.gz NHNTUNBLKCLSCB-SQNIBIBYSA-N 1 1 415.456 2.681 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000805257666 1079000763 /nfs/dbraw/zinc/00/07/63/1079000763.db2.gz BTKIAZKMTHJHQS-KDOFPFPSSA-N 1 1 401.429 2.644 20 0 HFADMO Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000747235339 1079008003 /nfs/dbraw/zinc/00/80/03/1079008003.db2.gz CNDQPPRTRXZXKW-JKSUJKDBSA-N 1 1 402.520 2.572 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000747236678 1079011859 /nfs/dbraw/zinc/01/18/59/1079011859.db2.gz NUJSXPFXUKUCJT-CHWSQXEVSA-N 1 1 412.387 2.623 20 0 HFADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000747236690 1079012115 /nfs/dbraw/zinc/01/21/15/1079012115.db2.gz NUJSXPFXUKUCJT-STQMWFEESA-N 1 1 412.387 2.623 20 0 HFADMO CC(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)n1 ZINC001130209911 1079087329 /nfs/dbraw/zinc/08/73/29/1079087329.db2.gz QKBUBEPFTKELSV-SPOLIRPYSA-N 1 1 401.555 2.531 20 0 HFADMO CC(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)n[nH]1 ZINC001130209911 1079087337 /nfs/dbraw/zinc/08/73/37/1079087337.db2.gz QKBUBEPFTKELSV-SPOLIRPYSA-N 1 1 401.555 2.531 20 0 HFADMO Cn1ncc(CNC(=O)NC[C@H](c2ccc(Cl)cc2)[N@H+](C)CCC(F)(F)F)n1 ZINC000805471926 1079089528 /nfs/dbraw/zinc/08/95/28/1079089528.db2.gz XRYANJORRRWQAI-OAHLLOKOSA-N 1 1 418.851 2.893 20 0 HFADMO Cn1ncc(CNC(=O)NC[C@H](c2ccc(Cl)cc2)[N@@H+](C)CCC(F)(F)F)n1 ZINC000805471926 1079089534 /nfs/dbraw/zinc/08/95/34/1079089534.db2.gz XRYANJORRRWQAI-OAHLLOKOSA-N 1 1 418.851 2.893 20 0 HFADMO CCN(C)C(=O)c1cccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000805447248 1079098232 /nfs/dbraw/zinc/09/82/32/1079098232.db2.gz XXJIXHPXFOJLHY-UHFFFAOYSA-N 1 1 418.538 2.660 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(Cl)cc1Cl ZINC000747247141 1079104437 /nfs/dbraw/zinc/10/44/37/1079104437.db2.gz IPYWQLSIBJCVPW-ZIAGYGMSSA-N 1 1 407.319 2.685 20 0 HFADMO CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)N3CCCCCCC3)CC2)cs1 ZINC000805531456 1079123162 /nfs/dbraw/zinc/12/31/62/1079123162.db2.gz DQPOFLZPRNTUJT-UHFFFAOYSA-N 1 1 406.596 2.826 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000747253604 1079152917 /nfs/dbraw/zinc/15/29/17/1079152917.db2.gz MULSYFNVLRNKCS-OSGYOQLFSA-N 1 1 406.548 2.899 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000747254175 1079168065 /nfs/dbraw/zinc/16/80/65/1079168065.db2.gz NWCRYJISRHJCRZ-GFAXEHQMSA-N 1 1 414.527 2.987 20 0 HFADMO C[C@@H]1CN(c2ccc(NC(=O)COC(=O)C(C)(C)[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000805612192 1079174576 /nfs/dbraw/zinc/17/45/76/1079174576.db2.gz JHKJLMCEOFSUPD-CALCHBBNSA-N 1 1 403.523 2.656 20 0 HFADMO COc1ccc(Cl)cc1N1C[C@H](C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1=O ZINC001130301391 1079193222 /nfs/dbraw/zinc/19/32/22/1079193222.db2.gz MTUQTOGQYFITCI-PVAVHDDUSA-N 1 1 405.926 2.835 20 0 HFADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2ccnc(-c3ccc(Cl)cc3)n2)CC1 ZINC000805657753 1079206632 /nfs/dbraw/zinc/20/66/32/1079206632.db2.gz MTRLXSBTVDQOMO-AWEZNQCLSA-N 1 1 402.882 2.506 20 0 HFADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCc1c(C)cccc1C ZINC000805675124 1079214367 /nfs/dbraw/zinc/21/43/67/1079214367.db2.gz JDGZEWZFLIYNFO-NRFANRHFSA-N 1 1 408.546 2.828 20 0 HFADMO C[C@@H](OC(=O)c1cc(-n2cccc2)ccn1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000805711391 1079232404 /nfs/dbraw/zinc/23/24/04/1079232404.db2.gz JPYBGSVYKPAMEM-QUCCMNQESA-N 1 1 418.497 2.808 20 0 HFADMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805749954 1079230288 /nfs/dbraw/zinc/23/02/88/1079230288.db2.gz VJFJCJUEHYQSQG-PKOBYXMFSA-N 1 1 402.539 2.934 20 0 HFADMO Cc1ccc(N(C(=O)C[N@@H+]([C@H](C)CO)C2CCCC2)[C@@H]2C=CS(=O)(=O)C2)cc1C ZINC000805750944 1079230656 /nfs/dbraw/zinc/23/06/56/1079230656.db2.gz ASNNVXWXSQYZQJ-WIYYLYMNSA-N 1 1 420.575 2.573 20 0 HFADMO Cc1ccc(N(C(=O)C[N@H+]([C@H](C)CO)C2CCCC2)[C@@H]2C=CS(=O)(=O)C2)cc1C ZINC000805750944 1079230664 /nfs/dbraw/zinc/23/06/64/1079230664.db2.gz ASNNVXWXSQYZQJ-WIYYLYMNSA-N 1 1 420.575 2.573 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000747268671 1079251611 /nfs/dbraw/zinc/25/16/11/1079251611.db2.gz VXEVYEWGQFJICC-LLVKDONJSA-N 1 1 409.335 2.933 20 0 HFADMO C[C@H]1CC[N@H+](CCC(=O)NC(=O)Nc2ccccc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805788817 1079256433 /nfs/dbraw/zinc/25/64/33/1079256433.db2.gz VDNGUTUGUVBZBI-XEZPLFJOSA-N 1 1 414.428 2.502 20 0 HFADMO C[C@H]1CC[N@@H+](CCC(=O)NC(=O)Nc2ccccc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805788817 1079256438 /nfs/dbraw/zinc/25/64/38/1079256438.db2.gz VDNGUTUGUVBZBI-XEZPLFJOSA-N 1 1 414.428 2.502 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)NC1CCCCC1 ZINC000805764340 1079264977 /nfs/dbraw/zinc/26/49/77/1079264977.db2.gz CKJTUPGDMNFSAC-KRWDZBQOSA-N 1 1 410.559 2.914 20 0 HFADMO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)NCCc1cccc2cccnc21 ZINC000805761689 1079262556 /nfs/dbraw/zinc/26/25/56/1079262556.db2.gz FANAJQCZBXXXQN-HXUWFJFHSA-N 1 1 412.534 2.836 20 0 HFADMO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC(=O)NCCc1cccc2cccnc21 ZINC000805761689 1079262567 /nfs/dbraw/zinc/26/25/67/1079262567.db2.gz FANAJQCZBXXXQN-HXUWFJFHSA-N 1 1 412.534 2.836 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000805765699 1079265982 /nfs/dbraw/zinc/26/59/82/1079265982.db2.gz OOSXILUPXSOYQQ-OALUTQOASA-N 1 1 417.550 2.876 20 0 HFADMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001130369495 1079267732 /nfs/dbraw/zinc/26/77/32/1079267732.db2.gz FPSKLIKXMNORAY-PDOICOKGSA-N 1 1 414.550 2.903 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000805766033 1079268204 /nfs/dbraw/zinc/26/82/04/1079268204.db2.gz VYJJVOIHRXGEAP-KRWDZBQOSA-N 1 1 419.522 2.801 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c(Cl)cc1Cl ZINC000747269340 1079276756 /nfs/dbraw/zinc/27/67/56/1079276756.db2.gz MZLNSUGKDLBSGL-LLVKDONJSA-N 1 1 407.319 2.543 20 0 HFADMO COC(=O)c1cc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)cc(C(=O)OC)c1 ZINC000805797254 1079279955 /nfs/dbraw/zinc/27/99/55/1079279955.db2.gz LBUSOASKYYCAMT-GUYCJALGSA-N 1 1 406.479 2.747 20 0 HFADMO COC(=O)c1cc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)cc(C(=O)OC)c1 ZINC000805797254 1079279958 /nfs/dbraw/zinc/27/99/58/1079279958.db2.gz LBUSOASKYYCAMT-GUYCJALGSA-N 1 1 406.479 2.747 20 0 HFADMO CCOCc1ccc(CNC(=O)C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)cc1 ZINC000805800644 1079280511 /nfs/dbraw/zinc/28/05/11/1079280511.db2.gz IIUJRGMWLHFJQT-LPHOPBHVSA-N 1 1 405.539 2.827 20 0 HFADMO CCOCc1ccc(CNC(=O)C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)cc1 ZINC000805800644 1079280514 /nfs/dbraw/zinc/28/05/14/1079280514.db2.gz IIUJRGMWLHFJQT-LPHOPBHVSA-N 1 1 405.539 2.827 20 0 HFADMO CNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000805828074 1079298318 /nfs/dbraw/zinc/29/83/18/1079298318.db2.gz BYLXYEGBHAOAHW-OAHLLOKOSA-N 1 1 412.328 2.618 20 0 HFADMO CNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000805828074 1079298323 /nfs/dbraw/zinc/29/83/23/1079298323.db2.gz BYLXYEGBHAOAHW-OAHLLOKOSA-N 1 1 412.328 2.618 20 0 HFADMO C[C@H](CNC(=O)c1cccnc1)OC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000805896663 1079325184 /nfs/dbraw/zinc/32/51/84/1079325184.db2.gz BWKGJGLIBDYNTE-KZNAEPCWSA-N 1 1 411.502 2.666 20 0 HFADMO C[C@H]1C[NH+](Cc2ccc(C(=O)OC3CCN(c4ccncn4)CC3)cc2)C[C@H](C)O1 ZINC000805899782 1079326303 /nfs/dbraw/zinc/32/63/03/1079326303.db2.gz AHFLRLDRHBRQEI-ROUUACIJSA-N 1 1 410.518 2.912 20 0 HFADMO CNC(=O)COc1ccc(OC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000805882985 1079336155 /nfs/dbraw/zinc/33/61/55/1079336155.db2.gz VEVLGKRNNZAIDB-IAGOWNOFSA-N 1 1 412.486 2.640 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(Cl)cc1Cl ZINC000747276268 1079340122 /nfs/dbraw/zinc/34/01/22/1079340122.db2.gz FGTONUNPJVAWRM-HZMBPMFUSA-N 1 1 409.335 2.741 20 0 HFADMO CN(OCc1ccccc1)C(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000805973042 1079381099 /nfs/dbraw/zinc/38/10/99/1079381099.db2.gz GJQSBTPCBGKBKH-FRIKZZABSA-N 1 1 407.514 2.888 20 0 HFADMO COC(=O)CC[C@@H]1CC[C@H](C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)O1 ZINC001130459010 1079383030 /nfs/dbraw/zinc/38/30/30/1079383030.db2.gz YJEUXMVRAQZUPE-WRJHFWDFSA-N 1 1 402.535 2.997 20 0 HFADMO C[C@H](CNC(=O)c1ccc(-n2cc(Br)cn2)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130471821 1079398441 /nfs/dbraw/zinc/39/84/41/1079398441.db2.gz GDKBZDRGGIKNHG-KFWWJZLASA-N 1 1 421.339 2.862 20 0 HFADMO C[C@H](CNC(=O)c1ccc(-n2cc(Br)cn2)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130471821 1079398445 /nfs/dbraw/zinc/39/84/45/1079398445.db2.gz GDKBZDRGGIKNHG-KFWWJZLASA-N 1 1 421.339 2.862 20 0 HFADMO C[C@@H](CNC(=O)CN(C(=O)c1ccccc1)c1ccccc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130472174 1079398487 /nfs/dbraw/zinc/39/84/87/1079398487.db2.gz LWKVUMLOBNXJPG-SLFFLAALSA-N 1 1 409.530 2.947 20 0 HFADMO C[C@@H](CNC(=O)CN(C(=O)c1ccccc1)c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130472174 1079398491 /nfs/dbraw/zinc/39/84/91/1079398491.db2.gz LWKVUMLOBNXJPG-SLFFLAALSA-N 1 1 409.530 2.947 20 0 HFADMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(Br)cc1-n1cncn1 ZINC001130519841 1079451522 /nfs/dbraw/zinc/45/15/22/1079451522.db2.gz XVQUEZRQRDYINF-HOTGVXAUSA-N 1 1 404.312 2.777 20 0 HFADMO Cc1c(C(=O)Oc2cc(C(N)=O)ccc2Br)cnn1-c1cc[nH+]cc1 ZINC001130523986 1079459504 /nfs/dbraw/zinc/45/95/04/1079459504.db2.gz QZFZAMWLINMPPF-UHFFFAOYSA-N 1 1 401.220 2.656 20 0 HFADMO CCOc1ccc(OCC(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001130529257 1079465374 /nfs/dbraw/zinc/46/53/74/1079465374.db2.gz UEJASVJNUPPUGT-GOTSBHOMSA-N 1 1 410.514 2.966 20 0 HFADMO COc1ccc(OC)c(CC(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001130528790 1079465397 /nfs/dbraw/zinc/46/53/97/1079465397.db2.gz PMNKGOXQYLZSOK-JTHBVZDNSA-N 1 1 410.514 2.748 20 0 HFADMO C[N@@H+]1CCN(C(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)[C@@H](Cc2ccccc2)C1 ZINC001130549837 1079486509 /nfs/dbraw/zinc/48/65/09/1079486509.db2.gz JASOBACHDBUMBY-IBGZPJMESA-N 1 1 422.497 2.823 20 0 HFADMO C[N@H+]1CCN(C(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)[C@@H](Cc2ccccc2)C1 ZINC001130549837 1079486511 /nfs/dbraw/zinc/48/65/11/1079486511.db2.gz JASOBACHDBUMBY-IBGZPJMESA-N 1 1 422.497 2.823 20 0 HFADMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000746676205 1076750426 /nfs/dbraw/zinc/75/04/26/1076750426.db2.gz IEOYNXSHOABBAV-MJGOQNOKSA-N 1 1 412.534 2.616 20 0 HFADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787322284 1076766266 /nfs/dbraw/zinc/76/62/66/1076766266.db2.gz CZESIGJXWQVRAU-OKZBNKHCSA-N 1 1 424.586 2.717 20 0 HFADMO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000787323197 1076767314 /nfs/dbraw/zinc/76/73/14/1076767314.db2.gz ARYNJTNROFFFOW-ZHALLVOQSA-N 1 1 424.586 2.527 20 0 HFADMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000746686696 1076824260 /nfs/dbraw/zinc/82/42/60/1076824260.db2.gz LFBOIUAQZQBNBQ-UHFFFAOYSA-N 1 1 422.554 2.728 20 0 HFADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000746686696 1076824266 /nfs/dbraw/zinc/82/42/66/1076824266.db2.gz LFBOIUAQZQBNBQ-UHFFFAOYSA-N 1 1 422.554 2.728 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)cn1 ZINC000787477935 1076837817 /nfs/dbraw/zinc/83/78/17/1076837817.db2.gz NGWNWFKGRVMLIU-QUCCMNQESA-N 1 1 421.476 2.784 20 0 HFADMO CC[C@H](NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1)c1ccc(F)cc1F ZINC000787478938 1076838215 /nfs/dbraw/zinc/83/82/15/1076838215.db2.gz SDZKZQSQOBCKCT-SFHVURJKSA-N 1 1 413.428 2.738 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)cn1 ZINC000787480879 1076839183 /nfs/dbraw/zinc/83/91/83/1076839183.db2.gz GUSPOHAKOUPQPP-SPLOXXLWSA-N 1 1 421.476 2.771 20 0 HFADMO CN(C(=O)[C@@H]1CCCN1C1CC1)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000787480999 1076839261 /nfs/dbraw/zinc/83/92/61/1076839261.db2.gz PCDZGVDVPSWTPW-VXKWHMMOSA-N 1 1 410.562 2.519 20 0 HFADMO CN(C(=O)[C@@H]1CCCN1C1CC1)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1 ZINC000787480999 1076839267 /nfs/dbraw/zinc/83/92/67/1076839267.db2.gz PCDZGVDVPSWTPW-VXKWHMMOSA-N 1 1 410.562 2.519 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCc2oc3ccccc3c2C)cn1 ZINC000787480364 1076839686 /nfs/dbraw/zinc/83/96/86/1076839686.db2.gz ZYNNPLHSMGAIAD-UHFFFAOYSA-N 1 1 403.442 2.563 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(Cc2ccccc2C)C2CC2)cn1 ZINC000787483946 1076842002 /nfs/dbraw/zinc/84/20/02/1076842002.db2.gz BSXIKWNSVYTKHF-UHFFFAOYSA-N 1 1 403.486 2.692 20 0 HFADMO Cc1[nH]c2ccc(CNC(=O)C(=O)NCc3ccc(-n4cc[nH+]c4C)nc3)cc2c1C ZINC000787485029 1076842849 /nfs/dbraw/zinc/84/28/49/1076842849.db2.gz HPNUISZELIFOTB-UHFFFAOYSA-N 1 1 416.485 2.606 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H](C)Cc2ccc(C)cc2C)cn1 ZINC000787486012 1076843205 /nfs/dbraw/zinc/84/32/05/1076843205.db2.gz OUVLXYHDWNPHHJ-QGZVFWFLSA-N 1 1 405.502 2.556 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)cn1 ZINC000787486828 1076844084 /nfs/dbraw/zinc/84/40/84/1076844084.db2.gz SOBGLUWGUMAOLB-OXJNMPFZSA-N 1 1 403.486 2.597 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCC2(c3ccccc3Cl)CC2)cn1 ZINC000787488213 1076844325 /nfs/dbraw/zinc/84/43/25/1076844325.db2.gz FTEVKQWISPVXHX-UHFFFAOYSA-N 1 1 423.904 2.693 20 0 HFADMO CCN(CC)C(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)CC1 ZINC000746691449 1076845001 /nfs/dbraw/zinc/84/50/01/1076845001.db2.gz XCQLDCFVVSVCIC-SFHVURJKSA-N 1 1 405.926 2.861 20 0 HFADMO CC(C)Cn1nc(C(=O)OCCC[NH+]2CCN(C(C)C)CC2)c2ccccc2c1=O ZINC000787587607 1076861339 /nfs/dbraw/zinc/86/13/39/1076861339.db2.gz ZKOGAAQOAQDIKM-UHFFFAOYSA-N 1 1 414.550 2.625 20 0 HFADMO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC1 ZINC000787580107 1076871039 /nfs/dbraw/zinc/87/10/39/1076871039.db2.gz CBFLCUJKEAESAW-HZPDHXFCSA-N 1 1 405.543 2.690 20 0 HFADMO Cc1ccc(N2CCCN(C(=O)C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)CC2)cc1 ZINC000787657952 1076901096 /nfs/dbraw/zinc/90/10/96/1076901096.db2.gz ZLJYWEOLZYRCQG-FQEVSTJZSA-N 1 1 414.575 2.514 20 0 HFADMO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1)c1ccsc1 ZINC000787657947 1076901176 /nfs/dbraw/zinc/90/11/76/1076901176.db2.gz ZJMJJOKKSDHEOS-ZACQAIPSSA-N 1 1 421.588 2.643 20 0 HFADMO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@H](O)c3cc(F)cc(Cl)c3)c2C1 ZINC000787659120 1076901474 /nfs/dbraw/zinc/90/14/74/1076901474.db2.gz XGGDEYDGMVHNBB-IBGZPJMESA-N 1 1 419.884 2.993 20 0 HFADMO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@H](O)c3cc(F)cc(Cl)c3)c2C1 ZINC000787659120 1076901475 /nfs/dbraw/zinc/90/14/75/1076901475.db2.gz XGGDEYDGMVHNBB-IBGZPJMESA-N 1 1 419.884 2.993 20 0 HFADMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000787664391 1076903581 /nfs/dbraw/zinc/90/35/81/1076903581.db2.gz HTYHAEASZPCLBZ-QHCPKHFHSA-N 1 1 405.542 2.554 20 0 HFADMO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000787669663 1076905721 /nfs/dbraw/zinc/90/57/21/1076905721.db2.gz KLPSLSOQJSPXDE-NRFANRHFSA-N 1 1 403.567 2.648 20 0 HFADMO C[N@@H+](CCCNC(=O)C(=O)N1CCc2c(cnn2-c2ccccc2)C1)C1CCCCC1 ZINC000787686668 1076911873 /nfs/dbraw/zinc/91/18/73/1076911873.db2.gz FIFWTANQKXQNHU-UHFFFAOYSA-N 1 1 423.561 2.528 20 0 HFADMO CC(C)(C)OC(=O)NCCOCC[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000787705944 1076919622 /nfs/dbraw/zinc/91/96/22/1076919622.db2.gz MHMQWAVAIMHBNJ-KRWDZBQOSA-N 1 1 407.559 2.725 20 0 HFADMO CC(C)COC(=O)N1CCC[N@H+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1 ZINC000787706676 1076920472 /nfs/dbraw/zinc/92/04/72/1076920472.db2.gz CATMPABONVDTQG-UTKZUKDTSA-N 1 1 413.559 2.547 20 0 HFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000787709541 1076921672 /nfs/dbraw/zinc/92/16/72/1076921672.db2.gz XVPSRLKMFWJTFJ-JQVVWYNYSA-N 1 1 415.578 2.755 20 0 HFADMO CC[N@H+](CC(=O)Nc1cccc(OC)c1)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000787710639 1076922318 /nfs/dbraw/zinc/92/23/18/1076922318.db2.gz MTYYJSJIOUMIRU-GCJKJVERSA-N 1 1 421.538 2.716 20 0 HFADMO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000787710639 1076922322 /nfs/dbraw/zinc/92/23/22/1076922322.db2.gz MTYYJSJIOUMIRU-GCJKJVERSA-N 1 1 421.538 2.716 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([NH+]2CCN(c3cc(F)ccc3F)CC2)C1 ZINC000787730856 1076933845 /nfs/dbraw/zinc/93/38/45/1076933845.db2.gz PDRVGMCZRLTVDO-RXVVDRJESA-N 1 1 411.493 2.847 20 0 HFADMO Cc1ccc(-n2c(Cl)c(C[NH2+]C[C@@H](C)CN3CCOCC3)nc2N(C)C)cc1 ZINC000787771896 1076942212 /nfs/dbraw/zinc/94/22/12/1076942212.db2.gz GDILPBHCLHHOGY-QGZVFWFLSA-N 1 1 405.974 2.958 20 0 HFADMO C[C@@H](C(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1)[NH+]1CCSCC1 ZINC000787781705 1076944464 /nfs/dbraw/zinc/94/44/64/1076944464.db2.gz TVWHOGXXNZZPMW-KRWDZBQOSA-N 1 1 405.564 2.589 20 0 HFADMO C[NH+]1CCN([C@@H](C(=O)NC[C@@H](O)c2cc(F)cc(Cl)c2)c2ccccc2)CC1 ZINC000787841698 1076960920 /nfs/dbraw/zinc/96/09/20/1076960920.db2.gz BODUCOFOOPBSRZ-WOJBJXKFSA-N 1 1 405.901 2.617 20 0 HFADMO C[NH+]1CCN([C@@H](C(=O)NC[C@H](O)c2cc(F)cc(Cl)c2)c2ccccc2)CC1 ZINC000787841697 1076960961 /nfs/dbraw/zinc/96/09/61/1076960961.db2.gz BODUCOFOOPBSRZ-VQTJNVASSA-N 1 1 405.901 2.617 20 0 HFADMO Cc1cnc(Cl)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000787884657 1076976729 /nfs/dbraw/zinc/97/67/29/1076976729.db2.gz VWGCHDCRMPBGAN-KRWDZBQOSA-N 1 1 400.910 2.663 20 0 HFADMO Cc1sccc1CC(=O)O[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000787866621 1076986621 /nfs/dbraw/zinc/98/66/21/1076986621.db2.gz ZFUNZBDGIMAJCX-MRXNPFEDSA-N 1 1 416.543 2.679 20 0 HFADMO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C)CCC2 ZINC000787904469 1076988319 /nfs/dbraw/zinc/98/83/19/1076988319.db2.gz SSWRCPSOZJVJPM-IEBWSBKVSA-N 1 1 403.571 2.728 20 0 HFADMO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)C2)cc1 ZINC000787913045 1076993204 /nfs/dbraw/zinc/99/32/04/1076993204.db2.gz UXRUQPUEZJIKLE-RTWAWAEBSA-N 1 1 414.594 2.708 20 0 HFADMO CC(C)CCC[C@@H](C)[N@H+]1CCOC[C@]2(CC[C@H](CNC(=O)c3cnccn3)O2)C1 ZINC001170079626 1076995484 /nfs/dbraw/zinc/99/54/84/1076995484.db2.gz FESAZUDYQHQNOP-KNKQGSTJSA-N 1 1 404.555 2.671 20 0 HFADMO CCCCOC(=O)c1ccc(NC(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)cc1 ZINC000746716292 1077003037 /nfs/dbraw/zinc/00/30/37/1077003037.db2.gz BWFLAMPWGMYXKZ-INIZCTEOSA-N 1 1 405.495 2.745 20 0 HFADMO CCCCOC(=O)c1ccc(NC(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)cc1 ZINC000746716293 1077003210 /nfs/dbraw/zinc/00/32/10/1077003210.db2.gz BWFLAMPWGMYXKZ-MRXNPFEDSA-N 1 1 405.495 2.745 20 0 HFADMO COC(=O)c1cnc(N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C(F)(F)F ZINC000787900121 1077004263 /nfs/dbraw/zinc/00/42/63/1077004263.db2.gz XZMUOXSSYUAIDM-MJBXVCDLSA-N 1 1 401.429 2.965 20 0 HFADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)Nc3ccnn3C3CCCCC3)CC2)CC1 ZINC000746720266 1077016542 /nfs/dbraw/zinc/01/65/42/1077016542.db2.gz FCKUETHKHPMUGU-UHFFFAOYSA-N 1 1 416.570 2.796 20 0 HFADMO COCN1C(=O)CCc2cc(NC(=O)C[C@@H]3C[N@H+](Cc4ccccc4)CCO3)ccc21 ZINC000787940791 1077018317 /nfs/dbraw/zinc/01/83/17/1077018317.db2.gz ADSUNKKVGIUJPW-OAQYLSRUSA-N 1 1 423.513 2.799 20 0 HFADMO COCN1C(=O)CCc2cc(NC(=O)C[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)ccc21 ZINC000787940791 1077018322 /nfs/dbraw/zinc/01/83/22/1077018322.db2.gz ADSUNKKVGIUJPW-OAQYLSRUSA-N 1 1 423.513 2.799 20 0 HFADMO C[C@H]1C[NH+](Cc2ccc(C(=O)OCC(=O)N(C)c3nccs3)cc2)C[C@H](C)O1 ZINC000787988945 1077020252 /nfs/dbraw/zinc/02/02/52/1077020252.db2.gz SKCWNYPUWDZQAM-GJZGRUSLSA-N 1 1 403.504 2.572 20 0 HFADMO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788004563 1077025894 /nfs/dbraw/zinc/02/58/94/1077025894.db2.gz WDIYIPDPZUVMTH-XDNAFOTISA-N 1 1 411.587 2.667 20 0 HFADMO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788004152 1077026208 /nfs/dbraw/zinc/02/62/08/1077026208.db2.gz ULCBRCBISMBYBE-INIZCTEOSA-N 1 1 423.529 2.524 20 0 HFADMO C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788005064 1077026681 /nfs/dbraw/zinc/02/66/81/1077026681.db2.gz ZGRYFDGEPAODKM-KRWDZBQOSA-N 1 1 409.571 2.733 20 0 HFADMO CC(C)[C@H]1C[N@H+](C)CCN1CN1C(=O)C(=O)c2c1ccc(Br)c2Cl ZINC000788045175 1077039987 /nfs/dbraw/zinc/03/99/87/1077039987.db2.gz DHOCGNZWHKACPJ-CYBMUJFWSA-N 1 1 414.731 2.861 20 0 HFADMO CC(C)[C@H]1C[N@@H+](C)CCN1CN1C(=O)C(=O)c2c1ccc(Br)c2Cl ZINC000788045175 1077039997 /nfs/dbraw/zinc/03/99/97/1077039997.db2.gz DHOCGNZWHKACPJ-CYBMUJFWSA-N 1 1 414.731 2.861 20 0 HFADMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cc3n(n2)CCC[C@@H]3NC(=O)OC(C)(C)C)C1 ZINC001626111836 1077048500 /nfs/dbraw/zinc/04/85/00/1077048500.db2.gz SWXBEXAJVAACGW-HOTGVXAUSA-N 1 1 405.543 2.704 20 0 HFADMO Cc1cc(N2CCC[C@@H](OC(=O)CN(C)C(=O)OCc3ccccc3)C2)nc(C)[nH+]1 ZINC000788085624 1077054834 /nfs/dbraw/zinc/05/48/34/1077054834.db2.gz HTTKKDCBVDKYDN-LJQANCHMSA-N 1 1 412.490 2.874 20 0 HFADMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)CC1CCC2(CC1)OCCO2 ZINC000788222343 1077082491 /nfs/dbraw/zinc/08/24/91/1077082491.db2.gz HVFXZZWIYATBFM-UHFFFAOYSA-N 1 1 401.551 2.590 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000746742953 1077114836 /nfs/dbraw/zinc/11/48/36/1077114836.db2.gz ATJMEXGJWNORGU-HUUCEWRRSA-N 1 1 401.442 2.738 20 0 HFADMO Cn1cncc1[C@@H]1CC(=O)N(C[NH+]2CCC(COc3ccc(Cl)nc3)CC2)C1 ZINC000788366062 1077127817 /nfs/dbraw/zinc/12/78/17/1077127817.db2.gz LBPOWBUOALXXCX-MRXNPFEDSA-N 1 1 403.914 2.533 20 0 HFADMO O=C1N[C@H](Cc2ccccc2)C(=O)N1CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788383070 1077137147 /nfs/dbraw/zinc/13/71/47/1077137147.db2.gz UGTSSWFIPJXDIR-HXUWFJFHSA-N 1 1 407.518 2.519 20 0 HFADMO Ic1cnn(CN2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000788382652 1077137462 /nfs/dbraw/zinc/13/74/62/1077137462.db2.gz QHTVEUILWQPJTJ-UHFFFAOYSA-N 1 1 411.291 2.858 20 0 HFADMO C[C@H]([NH2+]Cc1cccnc1N1CCOCC1)c1cnccc1NC(=O)OC(C)(C)C ZINC000788428730 1077143430 /nfs/dbraw/zinc/14/34/30/1077143430.db2.gz GCGLQCWWIAXUJI-INIZCTEOSA-N 1 1 413.522 2.933 20 0 HFADMO C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000788468748 1077169679 /nfs/dbraw/zinc/16/96/79/1077169679.db2.gz CRWMFLURQPHXGA-LRDDRELGSA-N 1 1 407.312 2.945 20 0 HFADMO CC(C)(C)OC(=O)N1CCN(CC[N@@H+]2CCO[C@H](CCc3ccccc3)C2)CC1 ZINC000788490095 1077178473 /nfs/dbraw/zinc/17/84/73/1077178473.db2.gz XKLPGQGKTCWGJS-OAQYLSRUSA-N 1 1 403.567 2.873 20 0 HFADMO CC(C)(C)OC(=O)N1CCN(CC[N@H+]2CCO[C@H](CCc3ccccc3)C2)CC1 ZINC000788490095 1077178476 /nfs/dbraw/zinc/17/84/76/1077178476.db2.gz XKLPGQGKTCWGJS-OAQYLSRUSA-N 1 1 403.567 2.873 20 0 HFADMO C[NH+](C)[C@H]1CCOc2c(NS(=O)(=O)c3ccc(N4CCOC4=O)cc3)cccc21 ZINC000788490873 1077178864 /nfs/dbraw/zinc/17/88/64/1077178864.db2.gz LBTVIXXIHKUFRS-SFHVURJKSA-N 1 1 417.487 2.829 20 0 HFADMO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCSC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000788525155 1077191121 /nfs/dbraw/zinc/19/11/21/1077191121.db2.gz BVVOOTGQWBQABZ-GOEBONIOSA-N 1 1 417.497 2.867 20 0 HFADMO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCSC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000788525157 1077191264 /nfs/dbraw/zinc/19/12/64/1077191264.db2.gz BVVOOTGQWBQABZ-HOCLYGCPSA-N 1 1 417.497 2.867 20 0 HFADMO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1ccnc(N2CCN(C)CC2)c1 ZINC000788540528 1077194298 /nfs/dbraw/zinc/19/42/98/1077194298.db2.gz SRSNDEZYDWJRTC-ICSRJNTNSA-N 1 1 417.598 2.959 20 0 HFADMO CCOC(=O)C(F)(F)[C@H]1CCC[C@H](Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)C1 ZINC000788608631 1077206295 /nfs/dbraw/zinc/20/62/95/1077206295.db2.gz KMLCYHZRTJGUMY-IRXDYDNUSA-N 1 1 409.477 2.699 20 0 HFADMO CCOC(=O)C(F)(F)[C@H]1CCC[C@H](Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)C1 ZINC000788608631 1077206300 /nfs/dbraw/zinc/20/63/00/1077206300.db2.gz KMLCYHZRTJGUMY-IRXDYDNUSA-N 1 1 409.477 2.699 20 0 HFADMO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000788612267 1077207816 /nfs/dbraw/zinc/20/78/16/1077207816.db2.gz NRPXYMVAJARIQO-BEFAXECRSA-N 1 1 402.539 2.587 20 0 HFADMO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000788612267 1077207819 /nfs/dbraw/zinc/20/78/19/1077207819.db2.gz NRPXYMVAJARIQO-BEFAXECRSA-N 1 1 402.539 2.587 20 0 HFADMO NS(=O)(=O)c1ccc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)c2ncccc12 ZINC000788571792 1077209623 /nfs/dbraw/zinc/20/96/23/1077209623.db2.gz MYIKIVQVFWCKSA-UHFFFAOYSA-N 1 1 411.531 2.799 20 0 HFADMO CCOC(=O)[C@H]1[C@H]([NH2+]Cc2ccc(F)c(CN(C)C)c2)CCN1C(=O)OC(C)(C)C ZINC000788613944 1077228105 /nfs/dbraw/zinc/22/81/05/1077228105.db2.gz YQDIWCJQDWDFJO-RTBURBONSA-N 1 1 423.529 2.918 20 0 HFADMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)C1 ZINC000788638361 1077241798 /nfs/dbraw/zinc/24/17/98/1077241798.db2.gz KHVFPLIWFMKIAY-GFCCVEGCSA-N 1 1 408.973 2.849 20 0 HFADMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)c2ccc(F)c(S(C)(=O)=O)c2)C1 ZINC000791063413 1077286891 /nfs/dbraw/zinc/28/68/91/1077286891.db2.gz ORXGMZIXLAYXCD-UHFFFAOYSA-N 1 1 420.506 2.611 20 0 HFADMO O=C(c1cnc(Br)c(Cl)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000791072237 1077289573 /nfs/dbraw/zinc/28/95/73/1077289573.db2.gz GGWTZMVGNLFPDZ-GFCCVEGCSA-N 1 1 402.720 2.682 20 0 HFADMO C[C@@H](Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)c1nc(Br)ccc1F ZINC000788795651 1077290652 /nfs/dbraw/zinc/29/06/52/1077290652.db2.gz ARCDJCLONKEEDO-LLVKDONJSA-N 1 1 407.287 3.000 20 0 HFADMO C[C@@H](Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)c1nc(Br)ccc1F ZINC000788795651 1077290660 /nfs/dbraw/zinc/29/06/60/1077290660.db2.gz ARCDJCLONKEEDO-LLVKDONJSA-N 1 1 407.287 3.000 20 0 HFADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)C1 ZINC000788777071 1077297996 /nfs/dbraw/zinc/29/79/96/1077297996.db2.gz JPHXLVYHPRVVJZ-YTQUADARSA-N 1 1 415.534 2.797 20 0 HFADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)C1 ZINC000788777071 1077298001 /nfs/dbraw/zinc/29/80/01/1077298001.db2.gz JPHXLVYHPRVVJZ-YTQUADARSA-N 1 1 415.534 2.797 20 0 HFADMO CC(C)(NC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(OC(F)(F)F)cc1 ZINC000788777641 1077298844 /nfs/dbraw/zinc/29/88/44/1077298844.db2.gz KWJZDYZESQBGSI-ZBFHGGJFSA-N 1 1 401.429 2.983 20 0 HFADMO CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000788816936 1077307438 /nfs/dbraw/zinc/30/74/38/1077307438.db2.gz WYSXUGLVTLSGIO-WOJBJXKFSA-N 1 1 413.562 2.924 20 0 HFADMO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)c2c(F)cc(O)cc2F)CC1 ZINC000746983745 1077309781 /nfs/dbraw/zinc/30/97/81/1077309781.db2.gz ALJNXAVOGOKMQB-UHFFFAOYSA-N 1 1 418.440 2.916 20 0 HFADMO O=S(=O)(Nc1ccc(CC[NH+]2CCOCC2)cc1)C1=Cc2ccccc2OC1 ZINC000788842838 1077317592 /nfs/dbraw/zinc/31/75/92/1077317592.db2.gz SSTBPHIQHBTLPN-UHFFFAOYSA-N 1 1 400.500 2.737 20 0 HFADMO CC(C)[C@@H](CNC(=O)N(C)[C@H](C)c1cccc(N2CCOC2=O)c1)[NH+]1CCOCC1 ZINC000788853306 1077320836 /nfs/dbraw/zinc/32/08/36/1077320836.db2.gz JQCSLOFTELQYTI-YLJYHZDGSA-N 1 1 418.538 2.702 20 0 HFADMO CC(C)[C@H](NC(=O)NCC[NH+]1CCN(c2ccccc2)CC1)[C@@H](O)c1ccccc1 ZINC000788863689 1077324268 /nfs/dbraw/zinc/32/42/68/1077324268.db2.gz FYBBFTBWVBSEHX-GOTSBHOMSA-N 1 1 410.562 2.866 20 0 HFADMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NC[C@H](O)C(F)(F)F)c2c1C ZINC000788870705 1077325412 /nfs/dbraw/zinc/32/54/12/1077325412.db2.gz QCDLBTXKHDPBNR-VIFPVBQESA-N 1 1 406.430 2.573 20 0 HFADMO O=C(CSc1cccc[n+]1[O-])Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000772727132 1077346033 /nfs/dbraw/zinc/34/60/33/1077346033.db2.gz BVIRJPZRSWXPFG-SFHVURJKSA-N 1 1 409.515 2.694 20 0 HFADMO O=C(Cc1cccnc1Br)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000791330183 1077376442 /nfs/dbraw/zinc/37/64/42/1077376442.db2.gz ROLNJUUOAQEFGJ-UHFFFAOYSA-N 1 1 404.308 2.900 20 0 HFADMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@H]2CC(c3c(F)cccc3F)=NO2)C[C@H](C)O1 ZINC000791334031 1077377010 /nfs/dbraw/zinc/37/70/10/1077377010.db2.gz USFZRDNPAPHTCJ-QCUYGVNKSA-N 1 1 407.461 2.558 20 0 HFADMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@H]2CC(c3c(F)cccc3F)=NO2)C[C@H](C)O1 ZINC000791334031 1077377017 /nfs/dbraw/zinc/37/70/17/1077377017.db2.gz USFZRDNPAPHTCJ-QCUYGVNKSA-N 1 1 407.461 2.558 20 0 HFADMO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000789066646 1077396000 /nfs/dbraw/zinc/39/60/00/1077396000.db2.gz QOZBHSUDDXULAU-KSZLIROESA-N 1 1 414.591 2.676 20 0 HFADMO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000789066646 1077396004 /nfs/dbraw/zinc/39/60/04/1077396004.db2.gz QOZBHSUDDXULAU-KSZLIROESA-N 1 1 414.591 2.676 20 0 HFADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)COC(=O)c2c[nH]nc2-c2ccoc2)CC1 ZINC000789080352 1077399100 /nfs/dbraw/zinc/39/91/00/1077399100.db2.gz WKRYATDADWKPEF-UHFFFAOYSA-N 1 1 422.485 2.869 20 0 HFADMO O=C(Cc1cccnc1Br)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000791400469 1077399350 /nfs/dbraw/zinc/39/93/50/1077399350.db2.gz XXYZRRMKPHMQMH-SFHVURJKSA-N 1 1 418.335 2.660 20 0 HFADMO C[N@H+](CCS(=O)(=O)Cc1ccccc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000791477000 1077418635 /nfs/dbraw/zinc/41/86/35/1077418635.db2.gz IYWNWRUDWWZFDV-UHFFFAOYSA-N 1 1 400.544 2.838 20 0 HFADMO C[N@@H+](CCS(=O)(=O)Cc1ccccc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000791477000 1077418636 /nfs/dbraw/zinc/41/86/36/1077418636.db2.gz IYWNWRUDWWZFDV-UHFFFAOYSA-N 1 1 400.544 2.838 20 0 HFADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)c2n[nH]c3c2CCCCC3)CC1 ZINC000789174304 1077443906 /nfs/dbraw/zinc/44/39/06/1077443906.db2.gz SSASPNVPVZXZHP-QGZVFWFLSA-N 1 1 410.518 2.741 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2ccnn2C2CCCC2)cc1F ZINC000746791641 1077454719 /nfs/dbraw/zinc/45/47/19/1077454719.db2.gz SGVFTAXTSQEKGG-UHFFFAOYSA-N 1 1 410.453 2.886 20 0 HFADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=S)NCCc3ccc(F)cc3)cc2)CC1 ZINC000789198018 1077457135 /nfs/dbraw/zinc/45/71/35/1077457135.db2.gz XVTIWHLZGZHLQU-UHFFFAOYSA-N 1 1 414.550 2.671 20 0 HFADMO CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)C[N@@H+]3[C@H](C)C[C@@H]3C)C2=O)cc1 ZINC000791575173 1077467879 /nfs/dbraw/zinc/46/78/79/1077467879.db2.gz BIWFEPAACINZEV-FIVYPTPTSA-N 1 1 417.531 2.721 20 0 HFADMO CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[N@@H+]3[C@H](C)C[C@@H]3C)C2=O)cc1 ZINC000791575171 1077467947 /nfs/dbraw/zinc/46/79/47/1077467947.db2.gz BIWFEPAACINZEV-DSVDBUHNSA-N 1 1 417.531 2.721 20 0 HFADMO O=C(COC(=O)[C@H]1CCCc2c(O)cccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000789243747 1077468999 /nfs/dbraw/zinc/46/89/99/1077468999.db2.gz CFTINGPJHLZXCP-NRFANRHFSA-N 1 1 408.498 2.700 20 0 HFADMO Cc1ncc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)s1 ZINC001086599790 1077477532 /nfs/dbraw/zinc/47/75/32/1077477532.db2.gz JQGNAHBVMRGVKT-CSGHFTSRSA-N 1 1 409.555 2.959 20 0 HFADMO COc1cccc(C2=NO[C@H](C(=O)N[C@@H](C)[C@H]3C[N@H+](Cc4ccccc4)CCO3)C2)c1 ZINC000791603644 1077501566 /nfs/dbraw/zinc/50/15/66/1077501566.db2.gz GXWCUHYMGQBGFC-PDIWNELESA-N 1 1 423.513 2.594 20 0 HFADMO COc1cccc(C2=NO[C@H](C(=O)N[C@@H](C)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)c1 ZINC000791603644 1077501568 /nfs/dbraw/zinc/50/15/68/1077501568.db2.gz GXWCUHYMGQBGFC-PDIWNELESA-N 1 1 423.513 2.594 20 0 HFADMO CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)nc1 ZINC000791606898 1077503333 /nfs/dbraw/zinc/50/33/33/1077503333.db2.gz WJBPWIQLRPEIOC-LJQANCHMSA-N 1 1 418.538 2.684 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000791641818 1077506239 /nfs/dbraw/zinc/50/62/39/1077506239.db2.gz LBDZZSJZFPLPAO-WZONZLPQSA-N 1 1 423.513 2.930 20 0 HFADMO C[C@H](C(=O)Nc1sccc1C(N)=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789352515 1077513189 /nfs/dbraw/zinc/51/31/89/1077513189.db2.gz HPDMHWUYAXHDPD-CYBMUJFWSA-N 1 1 401.536 2.586 20 0 HFADMO C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789352519 1077513245 /nfs/dbraw/zinc/51/32/45/1077513245.db2.gz HPDMHWUYAXHDPD-ZDUSSCGKSA-N 1 1 401.536 2.586 20 0 HFADMO CC[C@H](C)n1ncc(C(=O)OCC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)c1C ZINC000791665899 1077518492 /nfs/dbraw/zinc/51/84/92/1077518492.db2.gz VEJYEZNCFGVHCH-SFHVURJKSA-N 1 1 412.534 2.972 20 0 HFADMO CCO[C@H](CCNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1)C(C)C ZINC000746802557 1077526650 /nfs/dbraw/zinc/52/66/50/1077526650.db2.gz DUZGFPBECUBERW-LJQANCHMSA-N 1 1 424.973 2.598 20 0 HFADMO Cc1nc(Cl)ccc1NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000789386107 1077531779 /nfs/dbraw/zinc/53/17/79/1077531779.db2.gz FNLSDYDLMFVSFE-AWEZNQCLSA-N 1 1 416.909 2.519 20 0 HFADMO Cc1nc(Cl)ccc1NC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000789386107 1077531783 /nfs/dbraw/zinc/53/17/83/1077531783.db2.gz FNLSDYDLMFVSFE-AWEZNQCLSA-N 1 1 416.909 2.519 20 0 HFADMO Cc1ccc(CCC(=O)O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000747035894 1077538733 /nfs/dbraw/zinc/53/87/33/1077538733.db2.gz MVRUOSBMRXVCNT-SFHVURJKSA-N 1 1 414.502 2.601 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000789365467 1077540097 /nfs/dbraw/zinc/54/00/97/1077540097.db2.gz RNXRMLIQEGUEJB-OXJNMPFZSA-N 1 1 409.486 2.756 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000789365467 1077540101 /nfs/dbraw/zinc/54/01/01/1077540101.db2.gz RNXRMLIQEGUEJB-OXJNMPFZSA-N 1 1 409.486 2.756 20 0 HFADMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(OCc3cccnc3)cc2)C1 ZINC000746804619 1077546408 /nfs/dbraw/zinc/54/64/08/1077546408.db2.gz XBWCENZTMHSBGW-HXUWFJFHSA-N 1 1 422.529 2.789 20 0 HFADMO COC(=O)Nc1cccc(NC(=O)C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000746813603 1077555126 /nfs/dbraw/zinc/55/51/26/1077555126.db2.gz YOMNZCYMDVNHPG-INIZCTEOSA-N 1 1 412.490 2.830 20 0 HFADMO CON(C)C(=O)c1ccc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000791817149 1077566069 /nfs/dbraw/zinc/56/60/69/1077566069.db2.gz DJWYMVRIBLWJCE-BGYRXZFFSA-N 1 1 408.502 2.916 20 0 HFADMO O=C(Nc1ccn(Cc2ccccn2)n1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791825981 1077575224 /nfs/dbraw/zinc/57/52/24/1077575224.db2.gz RSCIGXHQWWUADH-BGYRXZFFSA-N 1 1 402.502 2.922 20 0 HFADMO O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000791827757 1077576230 /nfs/dbraw/zinc/57/62/30/1077576230.db2.gz IVPUTGNUZDTFEC-GOSISDBHSA-N 1 1 422.497 2.864 20 0 HFADMO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CN2C(=O)N[C@](CCC(C)C)(C3CC3)C2=O)C1 ZINC000789445000 1077576442 /nfs/dbraw/zinc/57/64/42/1077576442.db2.gz RFWKUMWLLMSNOD-VGOFRKELSA-N 1 1 407.555 2.992 20 0 HFADMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CN2C(=O)N[C@](CCC(C)C)(C3CC3)C2=O)C1 ZINC000789445000 1077576445 /nfs/dbraw/zinc/57/64/45/1077576445.db2.gz RFWKUMWLLMSNOD-VGOFRKELSA-N 1 1 407.555 2.992 20 0 HFADMO Cc1nnnn1/C(=C\c1ccccc1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791938112 1077599437 /nfs/dbraw/zinc/59/94/37/1077599437.db2.gz DQSTTWTYKXMQMW-VRKOCGLQSA-N 1 1 414.513 2.570 20 0 HFADMO CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791940587 1077600548 /nfs/dbraw/zinc/60/05/48/1077600548.db2.gz VVRGUSGANYACIK-HNKWTMLBSA-N 1 1 413.587 2.835 20 0 HFADMO CCOC(=O)C1C(C[N@H+]2CCC[C@]2(CO)CC(C)C)=NC(=O)N[C@@H]1c1ccccc1 ZINC000789507604 1077601313 /nfs/dbraw/zinc/60/13/13/1077601313.db2.gz SRBUINVXDTWIQA-NFBKMPQASA-N 1 1 415.534 2.731 20 0 HFADMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@]2(CO)CC(C)C)NC(=O)N[C@@H]1c1ccccc1 ZINC000789507604 1077601317 /nfs/dbraw/zinc/60/13/17/1077601317.db2.gz SRBUINVXDTWIQA-NFBKMPQASA-N 1 1 415.534 2.731 20 0 HFADMO CCOC(=O)C1=C(C[N@H+]2CCC[C@]2(CO)CC(C)C)NC(=O)N[C@@H]1c1ccccc1 ZINC000789507604 1077601321 /nfs/dbraw/zinc/60/13/21/1077601321.db2.gz SRBUINVXDTWIQA-NFBKMPQASA-N 1 1 415.534 2.731 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)CC1 ZINC000791945664 1077603835 /nfs/dbraw/zinc/60/38/35/1077603835.db2.gz UPGKUKGTYPSESR-UHFFFAOYSA-N 1 1 403.567 2.922 20 0 HFADMO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CN1C(=O)N[C@](CC)(c2ccc(Cl)cc2)C1=O ZINC000789518656 1077612921 /nfs/dbraw/zinc/61/29/21/1077612921.db2.gz HBZAUJRZEPKOMS-LAUBAEHRSA-N 1 1 420.941 2.835 20 0 HFADMO CCNC(=O)C[C@@H]1CCCC[N@H+]1CN1C(=O)N[C@](CC)(c2ccc(Cl)cc2)C1=O ZINC000789518656 1077612926 /nfs/dbraw/zinc/61/29/26/1077612926.db2.gz HBZAUJRZEPKOMS-LAUBAEHRSA-N 1 1 420.941 2.835 20 0 HFADMO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O ZINC000789520043 1077614661 /nfs/dbraw/zinc/61/46/61/1077614661.db2.gz OKFFBGVSSCEPOS-JQHMZKTJSA-N 1 1 406.571 2.852 20 0 HFADMO CCNC(=O)C[C@@H]1CCCC[N@H+]1CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O ZINC000789520043 1077614662 /nfs/dbraw/zinc/61/46/62/1077614662.db2.gz OKFFBGVSSCEPOS-JQHMZKTJSA-N 1 1 406.571 2.852 20 0 HFADMO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000789521369 1077616901 /nfs/dbraw/zinc/61/69/01/1077616901.db2.gz TVZRMCOMESDKAB-RDPSFJRHSA-N 1 1 422.529 2.945 20 0 HFADMO CCNC(=O)C[C@@H]1CCCC[N@H+]1CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000789521369 1077616904 /nfs/dbraw/zinc/61/69/04/1077616904.db2.gz TVZRMCOMESDKAB-RDPSFJRHSA-N 1 1 422.529 2.945 20 0 HFADMO COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)N1c2ccc(C)cc2[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000791974829 1077617710 /nfs/dbraw/zinc/61/77/10/1077617710.db2.gz JLVSCTIAZPORDV-PXNSSMCTSA-N 1 1 423.513 2.998 20 0 HFADMO CCNC(=O)C[C@H]1CCCC[N@@H+]1CN1C(=O)N[C@](C)(c2ccc(F)cc2Cl)C1=O ZINC000789522813 1077617776 /nfs/dbraw/zinc/61/77/76/1077617776.db2.gz YKLHGGJEYQPGLT-JLTOFOAXSA-N 1 1 424.904 2.584 20 0 HFADMO CCNC(=O)C[C@H]1CCCC[N@H+]1CN1C(=O)N[C@](C)(c2ccc(F)cc2Cl)C1=O ZINC000789522813 1077617780 /nfs/dbraw/zinc/61/77/80/1077617780.db2.gz YKLHGGJEYQPGLT-JLTOFOAXSA-N 1 1 424.904 2.584 20 0 HFADMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000791986379 1077623870 /nfs/dbraw/zinc/62/38/70/1077623870.db2.gz QHSIYTKNBLEGAY-CBQOVEMMSA-N 1 1 417.509 2.648 20 0 HFADMO CN(C)S(=O)(=O)c1ccc2oc(=S)n(C[N@@H+]3CC[C@@]4(C3)CCCOC4)c2c1 ZINC000789547725 1077639107 /nfs/dbraw/zinc/63/91/07/1077639107.db2.gz YEHMNAAWRBASEF-GOSISDBHSA-N 1 1 411.549 2.674 20 0 HFADMO CN(C)S(=O)(=O)c1ccc2oc(=S)n(C[N@H+]3CC[C@@]4(C3)CCCOC4)c2c1 ZINC000789547725 1077639113 /nfs/dbraw/zinc/63/91/13/1077639113.db2.gz YEHMNAAWRBASEF-GOSISDBHSA-N 1 1 411.549 2.674 20 0 HFADMO COc1cc(CN(C)C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc(OC)c1 ZINC000792053269 1077659379 /nfs/dbraw/zinc/65/93/79/1077659379.db2.gz ZVUJKTOIJDJURS-UHFFFAOYSA-N 1 1 421.538 2.605 20 0 HFADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792059264 1077666044 /nfs/dbraw/zinc/66/60/44/1077666044.db2.gz ZQASFMFOFGMYTK-LJQANCHMSA-N 1 1 410.603 2.558 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)C2(c3ccc(F)cc3F)CCOCC2)CC1 ZINC000792071625 1077678881 /nfs/dbraw/zinc/67/88/81/1077678881.db2.gz ASXYRSXWAXVCGS-UHFFFAOYSA-N 1 1 410.505 2.972 20 0 HFADMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH2+]C[C@@H]1CC(C(N)=O)=NO1 ZINC000789561785 1077681607 /nfs/dbraw/zinc/68/16/07/1077681607.db2.gz UMBYBHARMXOZGI-SFHVURJKSA-N 1 1 423.448 2.832 20 0 HFADMO C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792034051 1077686420 /nfs/dbraw/zinc/68/64/20/1077686420.db2.gz PLJGTCSZKBUSIW-GJZGRUSLSA-N 1 1 422.492 2.912 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)C2)c1 ZINC000792035193 1077686836 /nfs/dbraw/zinc/68/68/36/1077686836.db2.gz XSUGUBFSCXQGQL-HSZRJFAPSA-N 1 1 423.513 2.931 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2cc3c(cc2Cl)OCO3)CC1 ZINC000792035200 1077687094 /nfs/dbraw/zinc/68/70/94/1077687094.db2.gz YDGLATPSMURPDM-UHFFFAOYSA-N 1 1 411.886 2.950 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCCc2cccc3cccnc32)CC1 ZINC000792035997 1077687578 /nfs/dbraw/zinc/68/75/78/1077687578.db2.gz OCCXPFAFLKQMEC-UHFFFAOYSA-N 1 1 412.534 2.836 20 0 HFADMO CC(=O)Nc1cc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)ccc1F ZINC000792040787 1077689793 /nfs/dbraw/zinc/68/97/93/1077689793.db2.gz RSEJJNZBOASZST-UHFFFAOYSA-N 1 1 408.474 2.665 20 0 HFADMO CCCNC(=O)c1ccccc1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792040183 1077690147 /nfs/dbraw/zinc/69/01/47/1077690147.db2.gz IIOZANLTKXOZFA-UHFFFAOYSA-N 1 1 418.538 2.708 20 0 HFADMO CCn1c2ccccc2nc1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792043528 1077691017 /nfs/dbraw/zinc/69/10/17/1077691017.db2.gz HBGYMZSXKOKWIC-UHFFFAOYSA-N 1 1 401.511 2.938 20 0 HFADMO O=C(NCc1cccc(N2CCOC2=O)c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792045263 1077691472 /nfs/dbraw/zinc/69/14/72/1077691472.db2.gz CCHFTDKQFOVQKY-OYRHEFFESA-N 1 1 420.513 2.917 20 0 HFADMO CC(=O)Nc1cccc([C@@H](C)NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792047006 1077693180 /nfs/dbraw/zinc/69/31/80/1077693180.db2.gz RBMKFVMLWAZRIU-MRXNPFEDSA-N 1 1 418.538 2.765 20 0 HFADMO C[N@H+](Cc1ccccc1OCC(=O)NCC1CC1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789593677 1077701425 /nfs/dbraw/zinc/70/14/25/1077701425.db2.gz FYIGRELHQLVKJC-JOCHJYFZSA-N 1 1 421.541 2.825 20 0 HFADMO C[N@@H+](Cc1ccccc1OCC(=O)NCC1CC1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789593677 1077701426 /nfs/dbraw/zinc/70/14/26/1077701426.db2.gz FYIGRELHQLVKJC-JOCHJYFZSA-N 1 1 421.541 2.825 20 0 HFADMO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CC(c3cc(OC)ccc3OC)=NO2)c1 ZINC000792079283 1077704540 /nfs/dbraw/zinc/70/45/40/1077704540.db2.gz JGRWSXXTRFYZIL-JOCHJYFZSA-N 1 1 411.502 2.965 20 0 HFADMO CC(C)OC(=O)N1CCC(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000792085413 1077708893 /nfs/dbraw/zinc/70/88/93/1077708893.db2.gz VUPWLNTWTCIMTB-IBGZPJMESA-N 1 1 402.539 2.817 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCCc2nc3c(s2)CCCC3)CC1 ZINC000792126807 1077714883 /nfs/dbraw/zinc/71/48/83/1077714883.db2.gz NZMRXQXQPHSWGJ-UHFFFAOYSA-N 1 1 422.595 2.623 20 0 HFADMO Cc1csc(CCCCNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000792126994 1077715484 /nfs/dbraw/zinc/71/54/84/1077715484.db2.gz KJSLOKGNOGJWDS-UHFFFAOYSA-N 1 1 410.584 2.833 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2c2ncccn2)CC1 ZINC000792128512 1077715870 /nfs/dbraw/zinc/71/58/70/1077715870.db2.gz DOYKMOJYFJNYRF-NJYVYQBISA-N 1 1 415.582 2.573 20 0 HFADMO COCc1c(C(=O)OCCC[NH+]2CCN(C(C)C)CC2)cnn1-c1ccccc1 ZINC000792130925 1077717126 /nfs/dbraw/zinc/71/71/26/1077717126.db2.gz DMOGFRZYHRTTOO-UHFFFAOYSA-N 1 1 400.523 2.592 20 0 HFADMO CC(C)(C)OC(=O)NCCC(N)=[NH+]OCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000789645629 1077717582 /nfs/dbraw/zinc/71/75/82/1077717582.db2.gz SBRFNFFSEQMPNT-UHFFFAOYSA-N 1 1 412.853 2.973 20 0 HFADMO CC[C@@H]1c2ccsc2CCN1C(=O)CO[NH+]=C(N)CCNC(=O)OC(C)(C)C ZINC000789652356 1077720028 /nfs/dbraw/zinc/72/00/28/1077720028.db2.gz LZMQWJKDHMOGDP-CQSZACIVSA-N 1 1 410.540 2.997 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@@H]2C[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC000792150395 1077723505 /nfs/dbraw/zinc/72/35/05/1077723505.db2.gz HQYVAHMKWSPXAF-OALUTQOASA-N 1 1 411.587 2.981 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NC[C@H]2CCOc3ccccc32)CC1 ZINC000792155926 1077725075 /nfs/dbraw/zinc/72/50/75/1077725075.db2.gz BBYQTQGIVXODST-QGZVFWFLSA-N 1 1 403.523 2.612 20 0 HFADMO CCC[C@H](NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@@H](O)c1ccccc1 ZINC000792165815 1077732274 /nfs/dbraw/zinc/73/22/74/1077732274.db2.gz UMAUXGUNFNDRBI-VABKMULXSA-N 1 1 411.546 2.955 20 0 HFADMO CCC[C@H](NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@@H](O)c1ccccc1 ZINC000792165819 1077732339 /nfs/dbraw/zinc/73/23/39/1077732339.db2.gz UMAUXGUNFNDRBI-VJBWXMMDSA-N 1 1 411.546 2.955 20 0 HFADMO CC(C)(C)OC(=O)NC[C@@H](C(=O)NCC[NH+]1CCSCC1)c1ccc(F)cc1 ZINC000792166630 1077732639 /nfs/dbraw/zinc/73/26/39/1077732639.db2.gz XOGNSXMFVGKJNJ-QGZVFWFLSA-N 1 1 411.543 2.599 20 0 HFADMO COc1nc(Br)ccc1NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000789697728 1077733510 /nfs/dbraw/zinc/73/35/10/1077733510.db2.gz GKZKNWWSGQBIRR-QGZVFWFLSA-N 1 1 419.323 2.780 20 0 HFADMO CC[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1c(C)nn(C)c1C ZINC000792200316 1077743474 /nfs/dbraw/zinc/74/34/74/1077743474.db2.gz WFHNXZZQJSKEBP-QGZVFWFLSA-N 1 1 407.559 2.547 20 0 HFADMO C[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](c2ccccc2)CO1 ZINC000792206106 1077745879 /nfs/dbraw/zinc/74/58/79/1077745879.db2.gz FROJZVZOPPLIQU-AZUAARDMSA-N 1 1 417.550 2.918 20 0 HFADMO Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000792228081 1077752959 /nfs/dbraw/zinc/75/29/59/1077752959.db2.gz RATFGAVSSCUIBM-CEMLEFRQSA-N 1 1 411.550 2.540 20 0 HFADMO C[C@@H](c1nc(-c2cccs2)no1)N1CC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792232308 1077755975 /nfs/dbraw/zinc/75/59/75/1077755975.db2.gz PBHBNVRACSEJKB-GJZGRUSLSA-N 1 1 402.520 2.963 20 0 HFADMO C[N@H+](CC(=O)Nc1ccccc1C(=O)NCc1ccco1)[C@@H](CO)c1ccccc1 ZINC000772744275 1077758263 /nfs/dbraw/zinc/75/82/63/1077758263.db2.gz ZOIOGKPLWYOASZ-NRFANRHFSA-N 1 1 407.470 2.814 20 0 HFADMO C[N@@H+](CC(=O)Nc1ccccc1C(=O)NCc1ccco1)[C@@H](CO)c1ccccc1 ZINC000772744275 1077758270 /nfs/dbraw/zinc/75/82/70/1077758270.db2.gz ZOIOGKPLWYOASZ-NRFANRHFSA-N 1 1 407.470 2.814 20 0 HFADMO C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792236488 1077758440 /nfs/dbraw/zinc/75/84/40/1077758440.db2.gz NJZNFEZALOJCDV-KRWDZBQOSA-N 1 1 405.539 2.724 20 0 HFADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[N@H+](CCC(=O)Nc2ccc(N(C)C)cc2)CCO1 ZINC000792237359 1077758998 /nfs/dbraw/zinc/75/89/98/1077758998.db2.gz LPLVFMUKZAQPMH-QFBILLFUSA-N 1 1 420.554 2.695 20 0 HFADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](CCC(=O)Nc2ccc(N(C)C)cc2)CCO1 ZINC000792237359 1077759002 /nfs/dbraw/zinc/75/90/02/1077759002.db2.gz LPLVFMUKZAQPMH-QFBILLFUSA-N 1 1 420.554 2.695 20 0 HFADMO CC[C@@H](O)CN(Cc1ccccc1)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792247778 1077763849 /nfs/dbraw/zinc/76/38/49/1077763849.db2.gz DIBIULXTIVHNSB-HXUWFJFHSA-N 1 1 419.566 2.729 20 0 HFADMO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)Nc3cc4cn[nH]c4cc3C)cc2)CC1 ZINC000792282834 1077774280 /nfs/dbraw/zinc/77/42/80/1077774280.db2.gz WKWYXLLAGGLMPJ-UHFFFAOYSA-N 1 1 406.490 2.590 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCC(c3cccnc3)CC2)CC1 ZINC000792291912 1077777911 /nfs/dbraw/zinc/77/79/11/1077777911.db2.gz TXRGYZMAMXYQAP-UHFFFAOYSA-N 1 1 402.539 2.730 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCC(C3CCOCC3)CC2)CC1 ZINC000792274472 1077790021 /nfs/dbraw/zinc/79/00/21/1077790021.db2.gz XUBMHRVPHNXHDU-UHFFFAOYSA-N 1 1 409.571 2.594 20 0 HFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2nc(Br)cs2)CC1 ZINC000792305930 1077797663 /nfs/dbraw/zinc/79/76/63/1077797663.db2.gz MIKBNYITYTUNSF-BETUJISGSA-N 1 1 401.374 2.536 20 0 HFADMO CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000792366049 1077817183 /nfs/dbraw/zinc/81/71/83/1077817183.db2.gz BPYBHGGDLHTNOV-IBGZPJMESA-N 1 1 408.502 2.530 20 0 HFADMO O=C(C[NH+]1CCC(Oc2ccc(F)nc2)CC1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000792388234 1077831485 /nfs/dbraw/zinc/83/14/85/1077831485.db2.gz BPWRCWLWAYEBSG-SFHVURJKSA-N 1 1 412.509 2.707 20 0 HFADMO COc1cc(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc(OC)c1O ZINC000789919605 1077846979 /nfs/dbraw/zinc/84/69/79/1077846979.db2.gz KEXXYPDIOMZPDP-UHFFFAOYSA-N 1 1 419.909 2.996 20 0 HFADMO COC(=O)c1c(Cl)cc(C)nc1N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001170166837 1077850408 /nfs/dbraw/zinc/85/04/08/1077850408.db2.gz SSCWAADKYKOJHC-UHFFFAOYSA-N 1 1 403.870 2.698 20 0 HFADMO CCOC(=O)C1C(C[NH2+][C@]2(CC)CCOC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000792430207 1077851527 /nfs/dbraw/zinc/85/15/27/1077851527.db2.gz HLMWWVPOJIRXDG-YLJYHZDGSA-N 1 1 407.898 2.670 20 0 HFADMO CC(C)c1nnc(CCC(=O)OCC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)o1 ZINC000747071954 1077852931 /nfs/dbraw/zinc/85/29/31/1077852931.db2.gz YLJSHUVFMUIRFV-KRWDZBQOSA-N 1 1 414.506 2.574 20 0 HFADMO CC(C)n1ncc2cc(C=CC(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c(=O)[nH]c21 ZINC000792495686 1077867378 /nfs/dbraw/zinc/86/73/78/1077867378.db2.gz NSIJWJROKCEROY-SGQUHAKNSA-N 1 1 419.529 2.957 20 0 HFADMO CC(C)c1nnc2ccc(NC(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)cn21 ZINC000792479364 1077875410 /nfs/dbraw/zinc/87/54/10/1077875410.db2.gz NRVLZOMMGFPZEB-UHFFFAOYSA-N 1 1 416.526 2.734 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCC(c3ccncc3)CC2)CC1 ZINC000792488176 1077879464 /nfs/dbraw/zinc/87/94/64/1077879464.db2.gz ZUHSBNQEWZMBCD-UHFFFAOYSA-N 1 1 402.539 2.730 20 0 HFADMO C[C@H](CNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)NC(=O)OC(C)(C)C ZINC000792512330 1077881244 /nfs/dbraw/zinc/88/12/44/1077881244.db2.gz MTKDDRVQONDGKI-BRWVUGGUSA-N 1 1 405.539 2.939 20 0 HFADMO Cc1c[nH+]ccc1OC1CCN(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000772801334 1077905857 /nfs/dbraw/zinc/90/58/57/1077905857.db2.gz XEIIETXRDBENIX-GOSISDBHSA-N 1 1 419.522 2.786 20 0 HFADMO COCC[N@@H+](C)CCCC1CCN(S(=O)(=O)c2ccc(C)nc2Cl)CC1 ZINC000790043349 1077909457 /nfs/dbraw/zinc/90/94/57/1077909457.db2.gz JKKLKIDPUYHDQJ-UHFFFAOYSA-N 1 1 403.976 2.803 20 0 HFADMO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC001170218862 1077910340 /nfs/dbraw/zinc/91/03/40/1077910340.db2.gz WCALJEIJCUNBEE-QZTJIDSGSA-N 1 1 416.591 2.830 20 0 HFADMO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC001170218862 1077910342 /nfs/dbraw/zinc/91/03/42/1077910342.db2.gz WCALJEIJCUNBEE-QZTJIDSGSA-N 1 1 416.591 2.830 20 0 HFADMO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)cc1 ZINC000790008885 1077910990 /nfs/dbraw/zinc/91/09/90/1077910990.db2.gz YALIWCKZYPFQJU-SJORKVTESA-N 1 1 415.456 2.651 20 0 HFADMO CC(=O)c1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)ccc1Br ZINC000790008614 1077910998 /nfs/dbraw/zinc/91/09/98/1077910998.db2.gz UQCVJWBHAKXXCK-ZDUSSCGKSA-N 1 1 403.342 2.803 20 0 HFADMO CC(=O)c1cc(S(=O)(=O)N[C@H]2CCC[N@H+](C(C)C)C2)ccc1Br ZINC000790008614 1077910999 /nfs/dbraw/zinc/91/09/99/1077910999.db2.gz UQCVJWBHAKXXCK-ZDUSSCGKSA-N 1 1 403.342 2.803 20 0 HFADMO CC[C@H]1C[C@@H]([N@H+]2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)CCO1 ZINC001170227963 1077917739 /nfs/dbraw/zinc/91/77/39/1077917739.db2.gz RAUZTBHXOIVDEF-OALUTQOASA-N 1 1 403.548 2.889 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cnn(C)c2)C1 ZINC001170286351 1077938094 /nfs/dbraw/zinc/93/80/94/1077938094.db2.gz XQGODIBAUBBNPP-PXDUREFJSA-N 1 1 416.953 2.771 20 0 HFADMO O=C(C[C@H](O)c1ccc(Cl)cc1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000772813185 1077955787 /nfs/dbraw/zinc/95/57/87/1077955787.db2.gz OGOKGSOSZVIHIY-JBACZVJFSA-N 1 1 402.922 2.763 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)C[C@H](C)O1 ZINC000790124673 1077958951 /nfs/dbraw/zinc/95/89/51/1077958951.db2.gz AVJGKCICWRZKBA-JECJDTASSA-N 1 1 411.502 2.618 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)C[C@H](C)O1 ZINC000790124673 1077958952 /nfs/dbraw/zinc/95/89/52/1077958952.db2.gz AVJGKCICWRZKBA-JECJDTASSA-N 1 1 411.502 2.618 20 0 HFADMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000792712753 1077972242 /nfs/dbraw/zinc/97/22/42/1077972242.db2.gz RDAFFVXUUPBOSJ-MRXNPFEDSA-N 1 1 409.577 2.701 20 0 HFADMO CCC[N@H+]1CC[C@H](CNC(=O)N(Cc2ccccc2)C[C@H](O)c2cnn(CC)c2)C1 ZINC000790241285 1077974931 /nfs/dbraw/zinc/97/49/31/1077974931.db2.gz QVBFVRYWKLOPRX-IRLDBZIGSA-N 1 1 413.566 2.880 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000790242072 1077975422 /nfs/dbraw/zinc/97/54/22/1077975422.db2.gz GSHKGAGPUCNSHP-MRXNPFEDSA-N 1 1 415.444 2.504 20 0 HFADMO CN(Cc1ccc(F)cc1Br)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000790292465 1077987563 /nfs/dbraw/zinc/98/75/63/1077987563.db2.gz KOFGLQGQPPBPHW-GJZGRUSLSA-N 1 1 400.292 2.593 20 0 HFADMO S=C(NCCc1ccc2c(c1)OCCO2)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000772821249 1077992594 /nfs/dbraw/zinc/99/25/94/1077992594.db2.gz WWYZQFXWUAQJSN-HKUYNNGSSA-N 1 1 401.576 2.824 20 0 HFADMO COC(=O)[C@@]1(NC(=O)CSCc2cscn2)CCC[N@H+](Cc2ccccc2)C1 ZINC000746892373 1077995711 /nfs/dbraw/zinc/99/57/11/1077995711.db2.gz SBDFZIRKILJVGV-HXUWFJFHSA-N 1 1 419.572 2.700 20 0 HFADMO COC(=O)[C@@]1(NC(=O)CSCc2cscn2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000746892373 1077995713 /nfs/dbraw/zinc/99/57/13/1077995713.db2.gz SBDFZIRKILJVGV-HXUWFJFHSA-N 1 1 419.572 2.700 20 0 HFADMO C[C@H]1C[N@@H+](CCOc2ccc(CCNS(=O)(=O)C[C@H]3CCCOC3)cc2)C[C@H]1C ZINC000792770792 1077997905 /nfs/dbraw/zinc/99/79/05/1077997905.db2.gz UCESCJYJCZEBKT-ZVDOUQERSA-N 1 1 424.607 2.542 20 0 HFADMO O=C(COC(=O)c1n[nH]c2ccc(Cl)cc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000792808834 1078001231 /nfs/dbraw/zinc/00/12/31/1078001231.db2.gz OZVNINMZWMWHAD-UHFFFAOYSA-N 1 1 412.877 2.718 20 0 HFADMO O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)C(F)(F)C1CCOCC1 ZINC000790360065 1078003813 /nfs/dbraw/zinc/00/38/13/1078003813.db2.gz YAAXVKIIBDIWDU-UHFFFAOYSA-N 1 1 409.521 2.763 20 0 HFADMO COc1ncc(C(=O)O[C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000792862035 1078010676 /nfs/dbraw/zinc/01/06/76/1078010676.db2.gz PSUXQOYYVQKXSO-PBHICJAKSA-N 1 1 417.893 2.680 20 0 HFADMO C[C@]1(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCN(C(=O)OCc2ccccc2)C1 ZINC000792873572 1078015013 /nfs/dbraw/zinc/01/50/13/1078015013.db2.gz SZSCMLAVEZVXSD-JQVVWYNYSA-N 1 1 400.523 2.714 20 0 HFADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)CCN(C)C(=O)OCc2ccccc2)C[C@H](C)O1 ZINC000792896838 1078018913 /nfs/dbraw/zinc/01/89/13/1078018913.db2.gz FJJKXQDQSNGTMB-ROUUACIJSA-N 1 1 405.539 2.649 20 0 HFADMO C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792908956 1078021554 /nfs/dbraw/zinc/02/15/54/1078021554.db2.gz WKIPSOISCRGJHV-BJZITVGISA-N 1 1 412.361 2.945 20 0 HFADMO C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792908956 1078021558 /nfs/dbraw/zinc/02/15/58/1078021558.db2.gz WKIPSOISCRGJHV-BJZITVGISA-N 1 1 412.361 2.945 20 0 HFADMO C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3c4nc(N5CCC[C@H](C)C5)ncc4CS(=O)(=O)[C@@H]3C2)C1 ZINC001170135117 1078021717 /nfs/dbraw/zinc/02/17/17/1078021717.db2.gz GLGGZWOAVLKXDT-ZDMKNRLGSA-N 1 1 404.580 2.598 20 0 HFADMO C[C@@H](NC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2)[C@H]1C[N@H+](C)CCO1 ZINC000790428104 1078024163 /nfs/dbraw/zinc/02/41/63/1078024163.db2.gz CJMIYLSIZZXGQU-QZTJIDSGSA-N 1 1 424.586 2.528 20 0 HFADMO C[C@@H](NC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2)[C@H]1C[N@@H+](C)CCO1 ZINC000790428104 1078024169 /nfs/dbraw/zinc/02/41/69/1078024169.db2.gz CJMIYLSIZZXGQU-QZTJIDSGSA-N 1 1 424.586 2.528 20 0 HFADMO C[C@H](NC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2)[C@H]1C[N@H+](C)CCO1 ZINC000790428106 1078024208 /nfs/dbraw/zinc/02/42/08/1078024208.db2.gz CJMIYLSIZZXGQU-ZWKOTPCHSA-N 1 1 424.586 2.528 20 0 HFADMO C[C@H](NC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2)[C@H]1C[N@@H+](C)CCO1 ZINC000790428106 1078024211 /nfs/dbraw/zinc/02/42/11/1078024211.db2.gz CJMIYLSIZZXGQU-ZWKOTPCHSA-N 1 1 424.586 2.528 20 0 HFADMO CC(C)[C@H](CNC(=O)[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)[NH+]1CCOCC1 ZINC000792918737 1078025756 /nfs/dbraw/zinc/02/57/56/1078025756.db2.gz XAORSYVLYFMPOU-NZQKXSOJSA-N 1 1 417.550 2.508 20 0 HFADMO CNS(=O)(=O)c1cccc2c1CC[N@H+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C2 ZINC000792922125 1078026472 /nfs/dbraw/zinc/02/64/72/1078026472.db2.gz PAFJCSFFIXVUIJ-QGZVFWFLSA-N 1 1 414.449 2.705 20 0 HFADMO CNS(=O)(=O)c1cccc2c1CC[N@@H+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C2 ZINC000792922125 1078026478 /nfs/dbraw/zinc/02/64/78/1078026478.db2.gz PAFJCSFFIXVUIJ-QGZVFWFLSA-N 1 1 414.449 2.705 20 0 HFADMO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000792923202 1078026683 /nfs/dbraw/zinc/02/66/83/1078026683.db2.gz BLMBZOBGHXHPAD-CQSZACIVSA-N 1 1 409.531 2.710 20 0 HFADMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000792923202 1078026687 /nfs/dbraw/zinc/02/66/87/1078026687.db2.gz BLMBZOBGHXHPAD-CQSZACIVSA-N 1 1 409.531 2.710 20 0 HFADMO CC(C)(C)OC(=O)NCC[N@H+](CCc1ccccc1)C[C@H]1CCCS(=O)(=O)C1 ZINC000792931140 1078028114 /nfs/dbraw/zinc/02/81/14/1078028114.db2.gz NTRGUVULJPDHRQ-LJQANCHMSA-N 1 1 410.580 2.881 20 0 HFADMO CC(C)(C)OC(=O)NCC[N@@H+](CCc1ccccc1)C[C@H]1CCCS(=O)(=O)C1 ZINC000792931140 1078028118 /nfs/dbraw/zinc/02/81/18/1078028118.db2.gz NTRGUVULJPDHRQ-LJQANCHMSA-N 1 1 410.580 2.881 20 0 HFADMO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)o1 ZINC000792935239 1078028873 /nfs/dbraw/zinc/02/88/73/1078028873.db2.gz PDGPEBUEVOBOKH-MRXNPFEDSA-N 1 1 414.325 2.928 20 0 HFADMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CN2Cc3ccc(OC)cc3C2=O)C1 ZINC000790444054 1078033586 /nfs/dbraw/zinc/03/35/86/1078033586.db2.gz QBTQFVIESVKFOQ-HNNXBMFYSA-N 1 1 413.440 2.731 20 0 HFADMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](CN2Cc3ccc(OC)cc3C2=O)C1 ZINC000790444054 1078033591 /nfs/dbraw/zinc/03/35/91/1078033591.db2.gz QBTQFVIESVKFOQ-HNNXBMFYSA-N 1 1 413.440 2.731 20 0 HFADMO COC(=O)c1c2cnn(C[N@H+]3CC[C@@H]([C@@H]4CCOC4)C3)c2ccc1Br ZINC000790443408 1078033674 /nfs/dbraw/zinc/03/36/74/1078033674.db2.gz VKEGVVQOZMYBKT-CHWSQXEVSA-N 1 1 408.296 2.901 20 0 HFADMO C[C@H](NC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1nnnn1C1CC1 ZINC000790479672 1078040877 /nfs/dbraw/zinc/04/08/77/1078040877.db2.gz QGPYMFRDULLONS-MFHCWRBVSA-N 1 1 409.538 2.669 20 0 HFADMO C[C@H]1CCSCC[N@@H+]1CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000790479279 1078040961 /nfs/dbraw/zinc/04/09/61/1078040961.db2.gz SGTPJFBXRXAMEV-NSHDSACASA-N 1 1 412.309 2.529 20 0 HFADMO C[C@H]1CCSCC[N@H+]1CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000790479279 1078040967 /nfs/dbraw/zinc/04/09/67/1078040967.db2.gz SGTPJFBXRXAMEV-NSHDSACASA-N 1 1 412.309 2.529 20 0 HFADMO COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000790483632 1078041798 /nfs/dbraw/zinc/04/17/98/1078041798.db2.gz QWVNUCPSOHQPIO-OAHLLOKOSA-N 1 1 404.319 2.978 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@H](O)C[N@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000792988083 1078041849 /nfs/dbraw/zinc/04/18/49/1078041849.db2.gz WPEOYJXNSSWJGH-KKSFZXQISA-N 1 1 413.559 2.738 20 0 HFADMO COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)c2ccc3c(c2)N(C)CCC3)cc1 ZINC000790484398 1078042181 /nfs/dbraw/zinc/04/21/81/1078042181.db2.gz STYAPUPYFPHADB-FQEVSTJZSA-N 1 1 403.548 2.659 20 0 HFADMO O=C1c2ccc(Br)cc2N(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000772825613 1078042468 /nfs/dbraw/zinc/04/24/68/1078042468.db2.gz CMZTYYFUBRBWBT-DYVFJYSZSA-N 1 1 418.335 2.885 20 0 HFADMO Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000806239079 1079514934 /nfs/dbraw/zinc/51/49/34/1079514934.db2.gz MXHIAQNNRYBHSY-FCHUYYIVSA-N 1 1 423.561 2.551 20 0 HFADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000806254226 1079521960 /nfs/dbraw/zinc/52/19/60/1079521960.db2.gz RENBSQAUMFBGRT-LEWJYISDSA-N 1 1 421.557 2.724 20 0 HFADMO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc3ccccc3)C1)CCC2 ZINC000806299382 1079551857 /nfs/dbraw/zinc/55/18/57/1079551857.db2.gz XZDASHJSVGLVKL-NHCUHLMSSA-N 1 1 423.561 2.691 20 0 HFADMO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000806309388 1079564201 /nfs/dbraw/zinc/56/42/01/1079564201.db2.gz DVPGKUXDEIXEQH-UXHICEINSA-N 1 1 402.539 2.960 20 0 HFADMO CC[N@@H+](CCCNC(=O)c1cc(I)nn1C)C1CCCCC1 ZINC001130588953 1079569018 /nfs/dbraw/zinc/56/90/18/1079569018.db2.gz NSIZECFXDANMRS-UHFFFAOYSA-N 1 1 418.323 2.799 20 0 HFADMO CC[N@@H+](CCCNC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1)C1CCCCC1 ZINC001130588993 1079569162 /nfs/dbraw/zinc/56/91/62/1079569162.db2.gz POMXVYHSXWEHNI-UHFFFAOYSA-N 1 1 413.559 2.851 20 0 HFADMO C[C@@H]1[C@@H](NC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000806293267 1079579632 /nfs/dbraw/zinc/57/96/32/1079579632.db2.gz ZKUKEUACFBWZJP-KUHUBIRLSA-N 1 1 402.445 2.866 20 0 HFADMO COC[C@]1(CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)CCCN1C(=O)OC(C)(C)C ZINC000806295414 1079584312 /nfs/dbraw/zinc/58/43/12/1079584312.db2.gz POPDWXSZSKSIAY-HRAATJIYSA-N 1 1 424.542 2.598 20 0 HFADMO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)CCC2 ZINC000806297476 1079587158 /nfs/dbraw/zinc/58/71/58/1079587158.db2.gz OCPTXHOARVWBCD-WOJBJXKFSA-N 1 1 415.582 2.871 20 0 HFADMO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000806423768 1079668379 /nfs/dbraw/zinc/66/83/79/1079668379.db2.gz DHXWUXXXTLWRCJ-XZOQPEGZSA-N 1 1 423.557 2.658 20 0 HFADMO COc1cc(CCNC(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccc1C ZINC000806466364 1079736896 /nfs/dbraw/zinc/73/68/96/1079736896.db2.gz XTHKQHUVTYZAGM-VWLOTQADSA-N 1 1 423.557 2.691 20 0 HFADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NCc1cccc(N2CCOC2=O)c1 ZINC000806505490 1079754810 /nfs/dbraw/zinc/75/48/10/1079754810.db2.gz PDYYOMPBJYLFHU-UHFFFAOYSA-N 1 1 400.479 2.900 20 0 HFADMO C[C@H](NC(=O)NCCS(=O)(=O)Cc1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000806538764 1079776727 /nfs/dbraw/zinc/77/67/27/1079776727.db2.gz SPSNVVMCPXIRAI-PXNSSMCTSA-N 1 1 403.548 2.592 20 0 HFADMO C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc[nH]1 ZINC000806528054 1079802006 /nfs/dbraw/zinc/80/20/06/1079802006.db2.gz VDWKKRIDECVFLK-XAYKYTGQSA-N 1 1 406.889 2.794 20 0 HFADMO C[C@@H]1[C@@H](NC(=O)NCCS(=O)(=O)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000806538259 1079810060 /nfs/dbraw/zinc/81/00/60/1079810060.db2.gz BEAQPZLWFSTYBL-NQIIRXRSSA-N 1 1 415.559 2.564 20 0 HFADMO C[C@@H]1[C@@H](NC(=O)NCCS(=O)(=O)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000806538259 1079810075 /nfs/dbraw/zinc/81/00/75/1079810075.db2.gz BEAQPZLWFSTYBL-NQIIRXRSSA-N 1 1 415.559 2.564 20 0 HFADMO CNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000806619689 1079854594 /nfs/dbraw/zinc/85/45/94/1079854594.db2.gz JRAQWGJIIBQDKI-WOJBJXKFSA-N 1 1 402.539 2.819 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000747342024 1079874526 /nfs/dbraw/zinc/87/45/26/1079874526.db2.gz JRPXQWVMRIAYGZ-NHCUHLMSSA-N 1 1 421.541 2.671 20 0 HFADMO O=C(COc1ccc2ccccc2c1Br)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000747342737 1079924475 /nfs/dbraw/zinc/92/44/75/1079924475.db2.gz NWLQRKRGVRLFMC-HOTGVXAUSA-N 1 1 419.319 2.961 20 0 HFADMO CC(C)(O)c1ccc(CNC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000806731429 1079956774 /nfs/dbraw/zinc/95/67/74/1079956774.db2.gz FHUQEOWRBIJKLZ-UHFFFAOYSA-N 1 1 423.557 2.653 20 0 HFADMO CC(C)(O)c1ccc(CNC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000806731429 1079956776 /nfs/dbraw/zinc/95/67/76/1079956776.db2.gz FHUQEOWRBIJKLZ-UHFFFAOYSA-N 1 1 423.557 2.653 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000806731121 1079957300 /nfs/dbraw/zinc/95/73/00/1079957300.db2.gz CLHDVXIZJGAHJV-RTBURBONSA-N 1 1 423.557 2.652 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000806731121 1079957301 /nfs/dbraw/zinc/95/73/01/1079957301.db2.gz CLHDVXIZJGAHJV-RTBURBONSA-N 1 1 423.557 2.652 20 0 HFADMO Cc1cccnc1C(F)(F)C(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001130733394 1079972000 /nfs/dbraw/zinc/97/20/00/1079972000.db2.gz PNGHUGZYGNOKDJ-RTBURBONSA-N 1 1 401.457 2.984 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 ZINC000806743816 1079999016 /nfs/dbraw/zinc/99/90/16/1079999016.db2.gz YLVVCWOEZISALH-UHFFFAOYSA-N 1 1 422.420 2.690 20 0 HFADMO C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccc(OCCC[NH+]2CCN(C)CC2)cc1 ZINC001130742251 1080005969 /nfs/dbraw/zinc/00/59/69/1080005969.db2.gz PCUNWGUPKDQNHH-KNQAVFIVSA-N 1 1 419.566 2.616 20 0 HFADMO CN(Cc1ccn(-c2ccccc2)n1)C(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000806789365 1080010548 /nfs/dbraw/zinc/01/05/48/1080010548.db2.gz KLYZJYMTCHDGHY-QFIPXVFZSA-N 1 1 423.561 2.744 20 0 HFADMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(=O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000806790199 1080011474 /nfs/dbraw/zinc/01/14/74/1080011474.db2.gz SMRKARQKVGMSHJ-ICSRJNTNSA-N 1 1 403.954 2.837 20 0 HFADMO C[C@H](NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1)[C@H]1C[N@H+](C)CCO1 ZINC000806802808 1080019783 /nfs/dbraw/zinc/01/97/83/1080019783.db2.gz XVXCXDXRLQAZMV-WCBMZHEXSA-N 1 1 411.222 2.704 20 0 HFADMO C[C@H](NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1)[C@H]1C[N@@H+](C)CCO1 ZINC000806802808 1080019785 /nfs/dbraw/zinc/01/97/85/1080019785.db2.gz XVXCXDXRLQAZMV-WCBMZHEXSA-N 1 1 411.222 2.704 20 0 HFADMO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC001130750996 1080020338 /nfs/dbraw/zinc/02/03/38/1080020338.db2.gz ANLIWRORRRURML-UPVQGACJSA-N 1 1 405.542 2.908 20 0 HFADMO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC001130750996 1080020346 /nfs/dbraw/zinc/02/03/46/1080020346.db2.gz ANLIWRORRRURML-UPVQGACJSA-N 1 1 405.542 2.908 20 0 HFADMO COc1ccc(C)cc1N1C[C@H](C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)CC1=O ZINC001130751892 1080021981 /nfs/dbraw/zinc/02/19/81/1080021981.db2.gz NWSHYGUAFLZPJL-NHCUHLMSSA-N 1 1 421.541 2.742 20 0 HFADMO COc1ccc(C)cc1N1C[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)CC1=O ZINC001130751892 1080021990 /nfs/dbraw/zinc/02/19/90/1080021990.db2.gz NWSHYGUAFLZPJL-NHCUHLMSSA-N 1 1 421.541 2.742 20 0 HFADMO C[N@@H+]1CCN(C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)[C@H](Cc2ccccc2)C1 ZINC001130752112 1080022694 /nfs/dbraw/zinc/02/26/94/1080022694.db2.gz QFPXWWGVQUJAHE-GOSISDBHSA-N 1 1 412.921 2.869 20 0 HFADMO C[N@H+]1CCN(C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)[C@H](Cc2ccccc2)C1 ZINC001130752112 1080022704 /nfs/dbraw/zinc/02/27/04/1080022704.db2.gz QFPXWWGVQUJAHE-GOSISDBHSA-N 1 1 412.921 2.869 20 0 HFADMO Cc1cccc(N2N=C(C(=O)N3CC[N@@H+](C)C[C@@H]3Cc3ccccc3)CCC2=O)c1 ZINC001130752591 1080023260 /nfs/dbraw/zinc/02/32/60/1080023260.db2.gz VLFKSYNTJIUXQN-NRFANRHFSA-N 1 1 404.514 2.863 20 0 HFADMO Cc1cccc(N2N=C(C(=O)N3CC[N@H+](C)C[C@@H]3Cc3ccccc3)CCC2=O)c1 ZINC001130752591 1080023272 /nfs/dbraw/zinc/02/32/72/1080023272.db2.gz VLFKSYNTJIUXQN-NRFANRHFSA-N 1 1 404.514 2.863 20 0 HFADMO COC(=O)Nc1ccc(CCNC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)cc1 ZINC000806834256 1080047645 /nfs/dbraw/zinc/04/76/45/1080047645.db2.gz ALPVZBMELNJPJJ-NRFANRHFSA-N 1 1 410.518 2.976 20 0 HFADMO COC(=O)Nc1ccc(CCNC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)cc1 ZINC000806834256 1080047656 /nfs/dbraw/zinc/04/76/56/1080047656.db2.gz ALPVZBMELNJPJJ-NRFANRHFSA-N 1 1 410.518 2.976 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)[C@H](C)C1 ZINC000806888654 1080084974 /nfs/dbraw/zinc/08/49/74/1080084974.db2.gz KLFZOOGHEJKRTF-RDBSUJKOSA-N 1 1 407.902 2.548 20 0 HFADMO C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000806918667 1080087895 /nfs/dbraw/zinc/08/78/95/1080087895.db2.gz GDLUHGKVXHRBEC-VIFPVBQESA-N 1 1 406.683 2.781 20 0 HFADMO C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000806919660 1080088281 /nfs/dbraw/zinc/08/82/81/1080088281.db2.gz RVAWJWGTSKTBCU-GFCCVEGCSA-N 1 1 405.296 2.536 20 0 HFADMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)cc2)C1 ZINC000806978905 1080187406 /nfs/dbraw/zinc/18/74/06/1080187406.db2.gz JAVCFNCAJSANQN-PBHICJAKSA-N 1 1 413.440 2.899 20 0 HFADMO CSCC[C@@H](C)NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000807055027 1080237355 /nfs/dbraw/zinc/23/73/55/1080237355.db2.gz KEYHTPPHNPZRDE-GCJKJVERSA-N 1 1 403.592 2.759 20 0 HFADMO NC(=O)c1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc1Cl ZINC000807086012 1080262155 /nfs/dbraw/zinc/26/21/55/1080262155.db2.gz PAQJZLNRWDSWNL-VQIMIIECSA-N 1 1 412.921 2.961 20 0 HFADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000807089569 1080267743 /nfs/dbraw/zinc/26/77/43/1080267743.db2.gz HSYVEITZNQVFFE-UGKGYDQZSA-N 1 1 415.578 2.755 20 0 HFADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NC1CCC(O)(c2cccnc2)CC1 ZINC000807124138 1080296574 /nfs/dbraw/zinc/29/65/74/1080296574.db2.gz VGOXVBNMCGJNTE-UHFFFAOYSA-N 1 1 400.523 2.968 20 0 HFADMO CCOC(=O)N1CCC([C@H](C)NC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000807150494 1080308920 /nfs/dbraw/zinc/30/89/20/1080308920.db2.gz SKYFRFOGNSZVEO-KRWDZBQOSA-N 1 1 402.539 2.769 20 0 HFADMO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000807151677 1080310365 /nfs/dbraw/zinc/31/03/65/1080310365.db2.gz GDOFZGZLTGLBER-UGKGYDQZSA-N 1 1 402.539 2.961 20 0 HFADMO CC(C)[NH+]1CCN(C2CCN(C(=O)[C@@H](C)C3CN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC000807170862 1080325104 /nfs/dbraw/zinc/32/51/04/1080325104.db2.gz MKGCWVDTLJPSEO-SFHVURJKSA-N 1 1 422.614 2.506 20 0 HFADMO CC(=O)NCC[C@H]1CCCN(C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000807202926 1080349602 /nfs/dbraw/zinc/34/96/02/1080349602.db2.gz IDPGNQLGGIELPO-GGAORHGYSA-N 1 1 400.567 2.846 20 0 HFADMO COc1cccc([C@H]2[C@H](NC(=O)c3ccc(C(N)=O)c(Cl)n3)CC[N@H+]2C2CC2)c1 ZINC000807205100 1080351635 /nfs/dbraw/zinc/35/16/35/1080351635.db2.gz AEYRYHVXQRWHSD-AEFFLSMTSA-N 1 1 414.893 2.550 20 0 HFADMO C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)N1CCCNC(=O)C1)c1ccc(Cl)cc1 ZINC000807225280 1080385446 /nfs/dbraw/zinc/38/54/46/1080385446.db2.gz ITVSCXLEXSFPQR-HNNXBMFYSA-N 1 1 420.863 2.797 20 0 HFADMO C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)N1CCCNC(=O)C1)c1ccc(Cl)cc1 ZINC000807225280 1080385451 /nfs/dbraw/zinc/38/54/51/1080385451.db2.gz ITVSCXLEXSFPQR-HNNXBMFYSA-N 1 1 420.863 2.797 20 0 HFADMO CC(C)(C)[NH2+]CCC(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001130894461 1080425133 /nfs/dbraw/zinc/42/51/33/1080425133.db2.gz OIOSOOGIVAGUPW-HOTGVXAUSA-N 1 1 417.447 2.967 20 0 HFADMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)COc1cccc(I)c1 ZINC001130895084 1080430190 /nfs/dbraw/zinc/43/01/90/1080430190.db2.gz DQRAOFOGPIBDBS-ZDUSSCGKSA-N 1 1 402.276 2.659 20 0 HFADMO CCOC(=O)c1cnc(N=C2CC[N@H+](Cc3ccccc3)CC2C(=O)OCC)nc1 ZINC001170522013 1080494963 /nfs/dbraw/zinc/49/49/63/1080494963.db2.gz UDNUBARVTSJBFO-UHFFFAOYSA-N 1 1 410.474 2.788 20 0 HFADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)[C@@H](C)C1 ZINC000807318104 1080511505 /nfs/dbraw/zinc/51/15/05/1080511505.db2.gz GBPWMSIBXLFUMD-INIZCTEOSA-N 1 1 412.559 2.802 20 0 HFADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)[C@@H](C)C1 ZINC000807318104 1080511513 /nfs/dbraw/zinc/51/15/13/1080511513.db2.gz GBPWMSIBXLFUMD-INIZCTEOSA-N 1 1 412.559 2.802 20 0 HFADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)[C@@H](C)C1 ZINC000807318793 1080512466 /nfs/dbraw/zinc/51/24/66/1080512466.db2.gz JUBBBTBFIQGKCA-KRWDZBQOSA-N 1 1 414.550 2.582 20 0 HFADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)[C@@H](C)C1 ZINC000807318793 1080512469 /nfs/dbraw/zinc/51/24/69/1080512469.db2.gz JUBBBTBFIQGKCA-KRWDZBQOSA-N 1 1 414.550 2.582 20 0 HFADMO CN(C)c1ccc(C2CCN(C(=O)C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000807364049 1080525246 /nfs/dbraw/zinc/52/52/46/1080525246.db2.gz YZFMVIPNUBJEKY-XDNSSPFJSA-N 1 1 412.578 2.590 20 0 HFADMO CCOC(=O)C1C[N@@H+](Cc2ccccc2)CCC1=Nc1ccc(C(=O)N(C)C)nc1 ZINC001170522295 1080536798 /nfs/dbraw/zinc/53/67/98/1080536798.db2.gz HBZUJACLPKQNMX-UHFFFAOYSA-N 1 1 408.502 2.918 20 0 HFADMO CCOC(=O)C1=C(Nc2ccc(C(=O)N(C)C)nc2)CC[N@H+](Cc2ccccc2)C1 ZINC001170522295 1080536802 /nfs/dbraw/zinc/53/68/02/1080536802.db2.gz HBZUJACLPKQNMX-UHFFFAOYSA-N 1 1 408.502 2.918 20 0 HFADMO CCOC(=O)C1=C(Nc2ccc(C(=O)N(C)C)nc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001170522295 1080536812 /nfs/dbraw/zinc/53/68/12/1080536812.db2.gz HBZUJACLPKQNMX-UHFFFAOYSA-N 1 1 408.502 2.918 20 0 HFADMO C[NH+]1CCN([C@H](C(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)c2ccccc2)CC1 ZINC001130916418 1080539438 /nfs/dbraw/zinc/53/94/38/1080539438.db2.gz HSGGYITVNQRPBM-MOPGFXCFSA-N 1 1 413.484 2.981 20 0 HFADMO Cc1ccc([C@@H](O)[C@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)cc1 ZINC000807342420 1080547582 /nfs/dbraw/zinc/54/75/82/1080547582.db2.gz XDQAJSFCHISSLO-LIRRHRJNSA-N 1 1 403.910 2.887 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1C ZINC000807394543 1080561407 /nfs/dbraw/zinc/56/14/07/1080561407.db2.gz RSOWCJYLIPSHHL-NSHDSACASA-N 1 1 417.735 2.735 20 0 HFADMO Cc1[nH+]ccn1CCCCNC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000807386266 1080580943 /nfs/dbraw/zinc/58/09/43/1080580943.db2.gz OXBPHWKQUJSOPY-ZDUSSCGKSA-N 1 1 412.412 2.864 20 0 HFADMO COC(=O)Nc1cccc(CNC(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)c1 ZINC000807492624 1080684450 /nfs/dbraw/zinc/68/44/50/1080684450.db2.gz SOESIVYTHNXZNN-UHFFFAOYSA-N 1 1 417.554 2.565 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCC[C@@](C)(O)c1ccccc1 ZINC000807497459 1080691499 /nfs/dbraw/zinc/69/14/99/1080691499.db2.gz AXAXHDOUKGJLHQ-CJFMBICVSA-N 1 1 423.557 2.523 20 0 HFADMO COC(=O)CCc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000807543082 1080758679 /nfs/dbraw/zinc/75/86/79/1080758679.db2.gz IQNWHOLAQNIUCW-UTKZUKDTSA-N 1 1 423.513 2.510 20 0 HFADMO Cc1nc(-c2ccccc2NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)no1 ZINC000807542887 1080758795 /nfs/dbraw/zinc/75/87/95/1080758795.db2.gz GJTFUEMRPZABPH-BEFAXECRSA-N 1 1 419.485 2.763 20 0 HFADMO COC[C@]1(CNC(=O)N2CCC[N@H+](C(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000807550374 1080765870 /nfs/dbraw/zinc/76/58/70/1080765870.db2.gz GERKRETXUWUUMJ-OAQYLSRUSA-N 1 1 412.575 2.528 20 0 HFADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC1CCN(C(=O)OC)CC1 ZINC000807526137 1080777976 /nfs/dbraw/zinc/77/79/76/1080777976.db2.gz SFPUDAGUBNRHIW-FQEVSTJZSA-N 1 1 417.554 2.556 20 0 HFADMO C[C@@]1(CNC(=O)C(=O)NCc2ccc3c(n2)CCCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000807573263 1080785148 /nfs/dbraw/zinc/78/51/48/1080785148.db2.gz ISPLEGJQUOWKOC-VWLOTQADSA-N 1 1 420.557 2.605 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000807555874 1080806923 /nfs/dbraw/zinc/80/69/23/1080806923.db2.gz IGPJJCBNSWKFGZ-DLBZAZTESA-N 1 1 406.958 2.773 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000807557444 1080807815 /nfs/dbraw/zinc/80/78/15/1080807815.db2.gz BHFREHBRDDKTLG-KDOFPFPSSA-N 1 1 420.966 2.920 20 0 HFADMO COc1cc(-c2noc(C[NH2+]C3(CO)Cc4ccccc4C3)n2)ccc1OC(F)F ZINC000605427807 1126100596 /nfs/dbraw/zinc/10/05/96/1126100596.db2.gz VFDKLQBPEHZRHW-UHFFFAOYSA-N 1 1 417.412 2.966 20 0 HFADMO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nc(-c3ccccc3F)no2)cc1OC ZINC001176596906 1126150010 /nfs/dbraw/zinc/15/00/10/1126150010.db2.gz CQCIWJLYHNTSIQ-NRFANRHFSA-N 1 1 401.438 2.976 20 0 HFADMO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC001176596558 1126150026 /nfs/dbraw/zinc/15/00/26/1126150026.db2.gz AYGNGCZYRMAOAN-HXUWFJFHSA-N 1 1 400.433 2.559 20 0 HFADMO CCOC(=O)[C@]12CCO[C@H]1CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164431989 718975420 /nfs/dbraw/zinc/97/54/20/718975420.db2.gz DOCJEUOGIKLENU-URXFXBBRSA-N 1 1 422.529 2.583 20 0 HFADMO CCOC(=O)[C@]12CCO[C@H]1CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164431989 718975422 /nfs/dbraw/zinc/97/54/22/718975422.db2.gz DOCJEUOGIKLENU-URXFXBBRSA-N 1 1 422.529 2.583 20 0 HFADMO COC(=O)c1nc2cnccc2c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164629784 719083850 /nfs/dbraw/zinc/08/38/50/719083850.db2.gz ZATPHLDRJJGNBM-YLJYHZDGSA-N 1 1 403.486 2.912 20 0 HFADMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC001164643607 719217579 /nfs/dbraw/zinc/21/75/79/719217579.db2.gz ZPIKZRRSUGIPLL-PMACEKPBSA-N 1 1 407.562 2.568 20 0 HFADMO C[C@@H]1C[N@H+](C)[C@H](C)CN1[C@]1(F)CN(C2CCCC2)c2nc(Cl)ncc2NC1=O ZINC001164639427 719229869 /nfs/dbraw/zinc/22/98/69/719229869.db2.gz QCPOSLDTWFYKEP-VLXJIEOASA-N 1 1 410.925 2.521 20 0 HFADMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1[C@]1(F)CN(C2CCCC2)c2nc(Cl)ncc2NC1=O ZINC001164639427 719229873 /nfs/dbraw/zinc/22/98/73/719229873.db2.gz QCPOSLDTWFYKEP-VLXJIEOASA-N 1 1 410.925 2.521 20 0 HFADMO C[C@@H]1CN([C@@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3N(C)C2=O)[C@@H](C)C[N@@H+]1C ZINC001164642545 719230049 /nfs/dbraw/zinc/23/00/49/719230049.db2.gz WMPWERBEDPODFH-CKNLXJGOSA-N 1 1 424.952 2.546 20 0 HFADMO C[C@@H]1CN([C@@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3N(C)C2=O)[C@@H](C)C[N@H+]1C ZINC001164642545 719230052 /nfs/dbraw/zinc/23/00/52/719230052.db2.gz WMPWERBEDPODFH-CKNLXJGOSA-N 1 1 424.952 2.546 20 0 HFADMO COC(=O)CSc1cccc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)n1 ZINC001164652133 719314145 /nfs/dbraw/zinc/31/41/45/719314145.db2.gz ODOWTJWUVLFEFS-UHFFFAOYSA-N 1 1 403.552 2.748 20 0 HFADMO C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N(C)C[C@@H](O)CO)c23)C1 ZINC001164667935 719366175 /nfs/dbraw/zinc/36/61/75/719366175.db2.gz LTLXDYLZJPGQOL-LSDHHAIUSA-N 1 1 404.580 2.591 20 0 HFADMO COc1cc2c(cc1OCc1ccccc1)ncnc2N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC001164671336 719378412 /nfs/dbraw/zinc/37/84/12/719378412.db2.gz WXMMVZQYHSTSMQ-DENIHFKCSA-N 1 1 406.486 2.737 20 0 HFADMO C[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3ccn4COCC[Si](C)(C)C)C[C@@H]21 ZINC001164671577 719411763 /nfs/dbraw/zinc/41/17/63/719411763.db2.gz QEQHRFBMCZIKMS-HOTGVXAUSA-N 1 1 424.021 2.916 20 0 HFADMO C[N@H+]1CCO[C@H]2CN(c3nc(-c4cnccn4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC000301642837 719463932 /nfs/dbraw/zinc/46/39/32/719463932.db2.gz HAGVHHMUVSWLMK-CVEARBPZSA-N 1 1 408.531 2.546 20 0 HFADMO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000301667338 719466982 /nfs/dbraw/zinc/46/69/82/719466982.db2.gz OXUHVJUVNVLSKE-ROUUACIJSA-N 1 1 409.559 2.939 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)nc3c(Cl)nccc31)CC2 ZINC001164689361 719738172 /nfs/dbraw/zinc/73/81/72/719738172.db2.gz CPQKDXWYLOFVSN-UHFFFAOYSA-N 1 1 409.321 2.512 20 0 HFADMO CCOc1ccc(-c2ccc(N3CCC4(CCC[N@H+]4CC(=O)NC)CC3)nn2)cc1 ZINC001164689890 719746714 /nfs/dbraw/zinc/74/67/14/719746714.db2.gz NTIBCFYMFLAKSH-UHFFFAOYSA-N 1 1 409.534 2.723 20 0 HFADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2ccc(F)cc21 ZINC001164697006 719842697 /nfs/dbraw/zinc/84/26/97/719842697.db2.gz BLEWZHBOPDMOJZ-XOBRGWDASA-N 1 1 422.888 2.655 20 0 HFADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2ccc(Cl)cc21 ZINC001164704678 719844836 /nfs/dbraw/zinc/84/48/36/719844836.db2.gz SIKGYQNPWWCJRD-MGPUTAFESA-N 1 1 404.898 2.516 20 0 HFADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)c2ccc(F)cc21 ZINC001164707788 719874339 /nfs/dbraw/zinc/87/43/39/719874339.db2.gz VKUSAEZOKRKHLW-VBKZILBWSA-N 1 1 422.888 2.655 20 0 HFADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2ccc(SC)cc21 ZINC001164705731 719877023 /nfs/dbraw/zinc/87/70/23/719877023.db2.gz OHISZFPFDTYXBN-VFNWGFHPSA-N 1 1 416.547 2.584 20 0 HFADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc2cc(OC)c(F)cc21 ZINC001164706104 719877671 /nfs/dbraw/zinc/87/76/71/719877671.db2.gz OTGUGDWATLSZDL-ZHRRBRCNSA-N 1 1 417.481 2.615 20 0 HFADMO CCOC(=O)c1cncnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164702237 719885844 /nfs/dbraw/zinc/88/58/44/719885844.db2.gz PKOILCFPFFLCPE-UHFFFAOYSA-N 1 1 402.520 2.586 20 0 HFADMO CCOC(=O)c1cncnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164702237 719885846 /nfs/dbraw/zinc/88/58/46/719885846.db2.gz PKOILCFPFFLCPE-UHFFFAOYSA-N 1 1 402.520 2.586 20 0 HFADMO CCOC(=O)c1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)ncn1 ZINC001164695752 719889821 /nfs/dbraw/zinc/88/98/21/719889821.db2.gz VASHYVAMEOZKEE-UHFFFAOYSA-N 1 1 402.520 2.586 20 0 HFADMO CCOC(=O)c1nc2ccccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)n1 ZINC001164811265 720078124 /nfs/dbraw/zinc/07/81/24/720078124.db2.gz NMUJHWXOCUILOX-KOSHJBKYSA-N 1 1 424.545 2.991 20 0 HFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)CCCN3)CC2 ZINC001164716027 720117978 /nfs/dbraw/zinc/11/79/78/720117978.db2.gz IKVWBFPHJZGTQK-IBGZPJMESA-N 1 1 408.550 2.737 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc(C(=O)OC(C)(C)C)n1)C2 ZINC001164809668 720129100 /nfs/dbraw/zinc/12/91/00/720129100.db2.gz HVSIOSIXBQSDDD-VGSWGCGISA-N 1 1 402.539 2.617 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)COc1cncc(Cl)n1)C2 ZINC001164816250 720174268 /nfs/dbraw/zinc/17/42/68/720174268.db2.gz KLQXVICYJXCRMN-MAUKXSAKSA-N 1 1 416.900 2.782 20 0 HFADMO CCCSc1cncc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164812110 720239929 /nfs/dbraw/zinc/23/99/29/720239929.db2.gz BGIPPFFNTTVZIJ-UHFFFAOYSA-N 1 1 402.568 2.786 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4cc(C)ccc43)C2)C1 ZINC001164719829 720260169 /nfs/dbraw/zinc/26/01/69/720260169.db2.gz PJNAPOBXXARWOS-QFIPXVFZSA-N 1 1 416.953 2.861 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4cc(C)ccc43)C2)C1 ZINC001164719829 720260188 /nfs/dbraw/zinc/26/01/88/720260188.db2.gz PJNAPOBXXARWOS-QFIPXVFZSA-N 1 1 416.953 2.861 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C(C)C)nc(C(C)(C)C)n3)C2)C1 ZINC001164720777 720296916 /nfs/dbraw/zinc/29/69/16/720296916.db2.gz DREBVDXFHHOHFB-QHCPKHFHSA-N 1 1 417.598 2.562 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C(C)C)nc(C(C)(C)C)n3)C2)C1 ZINC001164720777 720296922 /nfs/dbraw/zinc/29/69/22/720296922.db2.gz DREBVDXFHHOHFB-QHCPKHFHSA-N 1 1 417.598 2.562 20 0 HFADMO c1ccc2nc(N3CCOCC3)c(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc2c1 ZINC001164721762 720380611 /nfs/dbraw/zinc/38/06/11/720380611.db2.gz AYOWSRYMMGXTMA-VXKWHMMOSA-N 1 1 416.529 2.715 20 0 HFADMO CN(C)c1nc(-c2ccccc2)nc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164724240 720401236 /nfs/dbraw/zinc/40/12/36/720401236.db2.gz IMZYFTOZZZDQJU-VQTJNVASSA-N 1 1 401.518 2.853 20 0 HFADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCCn3c(CN(C)C(C)=O)nnc3C2)nc1 ZINC001164828545 720415199 /nfs/dbraw/zinc/41/51/99/720415199.db2.gz XDGVIQNKJWMXMB-IBGZPJMESA-N 1 1 411.554 2.609 20 0 HFADMO Cc1cc(NC(=O)c2cccnc2N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)no1 ZINC001164734794 720432337 /nfs/dbraw/zinc/43/23/37/720432337.db2.gz UOFHDYRTDSXWKC-OALUTQOASA-N 1 1 404.474 2.879 20 0 HFADMO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731553 720483368 /nfs/dbraw/zinc/48/33/68/720483368.db2.gz WKTIRMRBEWZHIK-KBMXLJTQSA-N 1 1 401.898 2.655 20 0 HFADMO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc1C(=O)OCC ZINC001164725781 720484449 /nfs/dbraw/zinc/48/44/49/720484449.db2.gz KEEHIBQTOLUMHI-WOJBJXKFSA-N 1 1 424.501 2.683 20 0 HFADMO CCOC(=O)c1cnc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cc1C(=O)OCC ZINC001164725778 720484770 /nfs/dbraw/zinc/48/47/70/720484770.db2.gz KEEHIBQTOLUMHI-PMACEKPBSA-N 1 1 424.501 2.683 20 0 HFADMO CCCNC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164728328 720486884 /nfs/dbraw/zinc/48/68/84/720486884.db2.gz PEMZCQSWGRRSAO-SJORKVTESA-N 1 1 400.914 2.518 20 0 HFADMO COc1cnc(SC)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164839465 720513289 /nfs/dbraw/zinc/51/32/89/720513289.db2.gz UUSPIDWHZWCDJR-IXDOHACOSA-N 1 1 402.568 2.781 20 0 HFADMO CCOC(=O)c1cc(F)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164834953 720518275 /nfs/dbraw/zinc/51/82/75/720518275.db2.gz IQEVTEOWVWKUGZ-XKGZKEIXSA-N 1 1 415.513 2.972 20 0 HFADMO CCOC(=O)c1cnc(C)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164839978 720525187 /nfs/dbraw/zinc/52/51/87/720525187.db2.gz VCHYUDMTEUQJRB-CMKODMSKSA-N 1 1 412.538 2.536 20 0 HFADMO COC(=O)c1c[nH]c2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)ccc12 ZINC001164840066 720525915 /nfs/dbraw/zinc/52/59/15/720525915.db2.gz WGTVKXOQXUZDEA-ABSDTBQOSA-N 1 1 422.533 2.924 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3[nH]c4cc(=O)[nH]c-4cc3Cl)CC[C@@H]21 ZINC001164834191 720550908 /nfs/dbraw/zinc/55/09/08/720550908.db2.gz CONKQMWFIJJUJO-DOXZYTNZSA-N 1 1 414.941 2.804 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(C(=O)NC4CC4)cn3)CC[C@@H]21 ZINC001164836772 720554977 /nfs/dbraw/zinc/55/49/77/720554977.db2.gz KWZTVEHPLNRMJC-JBACZVJFSA-N 1 1 408.550 2.548 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3[nH+][n-]c(Cl)c4ncnc3-4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836826 720566740 /nfs/dbraw/zinc/56/67/40/720566740.db2.gz LGEBYMWCSMCGBA-QLFBSQMISA-N 1 1 400.918 2.581 20 0 HFADMO CCCNC(=O)c1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164843126 720602777 /nfs/dbraw/zinc/60/27/77/720602777.db2.gz WMUDOBWSZRNMLA-SFHLNBCPSA-N 1 1 410.566 2.796 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCOCC3)ncn1)CC2 ZINC001164840358 720665643 /nfs/dbraw/zinc/66/56/43/720665643.db2.gz LRVGNBNNIFBPBE-OAQYLSRUSA-N 1 1 423.561 2.573 20 0 HFADMO Fc1cc2nc(Cl)c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2cc1F ZINC001164737764 720675691 /nfs/dbraw/zinc/67/56/91/720675691.db2.gz GWOLGSYQEWKKBH-NEPJUHHUSA-N 1 1 418.835 2.693 20 0 HFADMO Fc1cccc2c1nc(Cl)nc2N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164736785 720681397 /nfs/dbraw/zinc/68/13/97/720681397.db2.gz BGFATUYBOORDRX-OLZOCXBDSA-N 1 1 400.845 2.554 20 0 HFADMO c1[nH]c2ccccc2c1-c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164736690 720690268 /nfs/dbraw/zinc/69/02/68/720690268.db2.gz ALDQGKIZRJHVBH-IAGOWNOFSA-N 1 1 413.485 2.757 20 0 HFADMO Clc1cc(Cc2ccccc2)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164743494 720739547 /nfs/dbraw/zinc/73/95/47/720739547.db2.gz QMQGGYAPOSSDTC-RTBURBONSA-N 1 1 422.920 2.853 20 0 HFADMO c1ccc(COc2cccnc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC001164746927 720755450 /nfs/dbraw/zinc/75/54/50/720755450.db2.gz YYPSTFKIQMCJKA-UXHICEINSA-N 1 1 403.486 2.793 20 0 HFADMO Clc1cccc(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)c1 ZINC001164738690 720764017 /nfs/dbraw/zinc/76/40/17/720764017.db2.gz GWDHRONNXBAGIL-MSOLQXFVSA-N 1 1 408.893 2.929 20 0 HFADMO Fc1ccc(COc2cccnc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC001164740421 720779003 /nfs/dbraw/zinc/77/90/03/720779003.db2.gz LAVYIEBHFDFSSJ-UXHICEINSA-N 1 1 421.476 2.932 20 0 HFADMO Fc1ccc(Oc2ccnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164744202 720779206 /nfs/dbraw/zinc/77/92/06/720779206.db2.gz RLYWDXUQIXEWSH-WMZOPIPTSA-N 1 1 408.437 2.540 20 0 HFADMO Fc1cccc(F)c1-c1ccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164738233 720781850 /nfs/dbraw/zinc/78/18/50/720781850.db2.gz FGZVOCSWLKDDHZ-GJZGRUSLSA-N 1 1 410.428 2.554 20 0 HFADMO c1ccc(CSc2cc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)ncn2)cc1 ZINC001164746077 720789646 /nfs/dbraw/zinc/78/96/46/720789646.db2.gz LSWBFLSYPFMKME-OALUTQOASA-N 1 1 420.542 2.901 20 0 HFADMO Clc1nc2c(c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n1)CCC2 ZINC001164740765 720815039 /nfs/dbraw/zinc/81/50/39/720815039.db2.gz AJANACRMBIHCEP-JTDSTZFVSA-N 1 1 413.957 2.590 20 0 HFADMO CSc1ncc(Cl)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164743850 720816105 /nfs/dbraw/zinc/81/61/05/720816105.db2.gz SVYMPGCXZKKVCI-HLLBOEOZSA-N 1 1 419.986 2.823 20 0 HFADMO CCOC(=O)c1cc(C)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164746903 720817359 /nfs/dbraw/zinc/81/73/59/720817359.db2.gz ZLBNGSHHVUVNEL-QKNQBKEWSA-N 1 1 424.549 2.538 20 0 HFADMO COc1ccc2c(c1)ncnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743994 720828316 /nfs/dbraw/zinc/82/83/16/720828316.db2.gz TVUZPRUGUUMLSG-KGVIQGDOSA-N 1 1 419.533 2.609 20 0 HFADMO COc1ccc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164746747 720829506 /nfs/dbraw/zinc/82/95/06/720829506.db2.gz YTZZNGVYZJXHDE-LZLYRXPVSA-N 1 1 402.930 2.715 20 0 HFADMO c1ncn(C[C@H]2C[C@H]3CN(c4ccnc(-c5cccnc5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164739952 720833970 /nfs/dbraw/zinc/83/39/70/720833970.db2.gz BCVIBRPHOGUNND-PWRODBHTSA-N 1 1 416.533 2.510 20 0 HFADMO COc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2ccccc21 ZINC001164747787 720833978 /nfs/dbraw/zinc/83/39/78/720833978.db2.gz RRDOJNSFXAHDBA-BBTUJRGHSA-N 1 1 419.533 2.609 20 0 HFADMO Fc1ccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ncc2c1 ZINC001164748050 720840578 /nfs/dbraw/zinc/84/05/78/720840578.db2.gz SIXMLXJBQADMHP-YFVAEKQCSA-N 1 1 407.497 2.740 20 0 HFADMO FC(F)(c1cncc(Cl)n1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748731 720841333 /nfs/dbraw/zinc/84/13/33/720841333.db2.gz URZHLFODMGZQKB-OWCLPIDISA-N 1 1 423.899 2.646 20 0 HFADMO Cc1cc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2s1 ZINC001164748867 720841826 /nfs/dbraw/zinc/84/18/26/720841826.db2.gz VAYCHSYTGFMGDZ-YQVWRLOYSA-N 1 1 409.563 2.971 20 0 HFADMO CC(C)n1ccc2c1ncnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742530 720842984 /nfs/dbraw/zinc/84/29/84/720842984.db2.gz HGRNZJAHJOVEEG-IRFCIJBXSA-N 1 1 420.565 2.983 20 0 HFADMO COc1ccnc(Cl)c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751164 720854509 /nfs/dbraw/zinc/85/45/09/720854509.db2.gz QMPGCVNHMSLMSU-YESZJQIVSA-N 1 1 402.930 2.715 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)CC[C@@H]2C1 ZINC001164851564 720855256 /nfs/dbraw/zinc/85/52/56/720855256.db2.gz AYYCMPNCVVDNMV-CZUORRHYSA-N 1 1 414.884 2.935 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)ccc3CN3CCCC3)CC[C@H]2C1 ZINC001164855470 720861020 /nfs/dbraw/zinc/86/10/20/720861020.db2.gz MWMWDWKFOKBZRV-HKUYNNGSSA-N 1 1 408.974 2.504 20 0 HFADMO CCOc1ccc(-c2ccc(N3CC[C@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)nn2)cc1 ZINC001164862102 720882122 /nfs/dbraw/zinc/88/21/22/720882122.db2.gz QPDNZBMFMYJDSY-SIKLNZKXSA-N 1 1 412.534 2.716 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(C)cc(OCc4ccccc4)n3)CC[C@@H]2C1 ZINC001164858578 720885330 /nfs/dbraw/zinc/88/53/30/720885330.db2.gz LFJCKYKCQWBVMH-RTWAWAEBSA-N 1 1 412.534 2.538 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(C(F)F)nc4ccc(F)cc43)CC[C@H]2C1 ZINC001164858471 720886080 /nfs/dbraw/zinc/88/60/80/720886080.db2.gz KXSBZDAZNIRSQF-SUMWQHHRSA-N 1 1 410.440 2.880 20 0 HFADMO COc1ncnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C ZINC001164756288 720887714 /nfs/dbraw/zinc/88/77/14/720887714.db2.gz PDBWHHLHQLHJHU-URXFXBBRSA-N 1 1 423.561 2.944 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3ccnc(CSc4ccccc4)n3)CC[C@@H]2C1 ZINC001164864647 720887970 /nfs/dbraw/zinc/88/79/70/720887970.db2.gz WGEAMJDGYMVMFL-UYAOXDASSA-N 1 1 414.575 2.942 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nnc(-c4cccc(F)c4)cc3C)CC[C@H]2C1 ZINC001164856750 720888118 /nfs/dbraw/zinc/88/81/18/720888118.db2.gz JDBSONJEFXVHAX-RXVVDRJESA-N 1 1 400.498 2.765 20 0 HFADMO CCOC(=O)c1cnc(Cl)nc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164855013 720922678 /nfs/dbraw/zinc/92/26/78/720922678.db2.gz HCSJHZNTBUNADL-ZDUSSCGKSA-N 1 1 406.918 2.925 20 0 HFADMO CCOC(=O)Cc1nc(Cl)cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164863235 720953570 /nfs/dbraw/zinc/95/35/70/720953570.db2.gz ZAUXPDBAAUXHOK-AWEZNQCLSA-N 1 1 420.945 2.854 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3CO[C@H](CNC(=O)N(C)C)[C@@H]3C2)nc1 ZINC001164758297 721000196 /nfs/dbraw/zinc/00/01/96/721000196.db2.gz UWIPCZPGIMVKPH-XRXFAXGQSA-N 1 1 415.582 2.741 20 0 HFADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(C(=O)NC3CCCC3)nn1)[C@@H]2C ZINC001164861173 721010895 /nfs/dbraw/zinc/01/08/95/721010895.db2.gz NMJWZSAOZLABSJ-MRXNPFEDSA-N 1 1 411.554 2.767 20 0 HFADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(N3CCSCC3)ncn1)[C@@H]2C ZINC001164858088 721014167 /nfs/dbraw/zinc/01/41/67/721014167.db2.gz GBNZYRBOJKXWJQ-MRXNPFEDSA-N 1 1 401.584 2.648 20 0 HFADMO CCOC(=O)c1cnc(CC)nc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164858841 721015714 /nfs/dbraw/zinc/01/57/14/721015714.db2.gz HWVNJQNEWZYPTM-OAHLLOKOSA-N 1 1 400.527 2.834 20 0 HFADMO CCOC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164870436 721042906 /nfs/dbraw/zinc/04/29/06/721042906.db2.gz VWHWPGPHYOVDGM-MSOLQXFVSA-N 1 1 416.909 2.786 20 0 HFADMO CCOC(=O)c1cnc(Cl)cc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868737 721044129 /nfs/dbraw/zinc/04/41/29/721044129.db2.gz QENZHPQFCUYFDJ-DLBZAZTESA-N 1 1 416.909 2.786 20 0 HFADMO CCOC(=O)/C=C/c1cccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870628 721050376 /nfs/dbraw/zinc/05/03/76/721050376.db2.gz WLGGOHQGVJOOJY-DVFFMCNPSA-N 1 1 408.502 2.533 20 0 HFADMO CCOC(=O)c1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)ncc1Cl ZINC001164869071 721053786 /nfs/dbraw/zinc/05/37/86/721053786.db2.gz RHWBJPBBVITXTL-IRXDYDNUSA-N 1 1 416.909 2.786 20 0 HFADMO c1ccc(COc2cncc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164867130 721062274 /nfs/dbraw/zinc/06/22/74/721062274.db2.gz IHCRXZYOEDFWRL-YADHBBJMSA-N 1 1 417.513 2.930 20 0 HFADMO CCOC(=O)c1cc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)ncc1Cl ZINC001164763617 721081708 /nfs/dbraw/zinc/08/17/08/721081708.db2.gz GDYOXQHTZUAHEH-CVEARBPZSA-N 1 1 403.914 2.604 20 0 HFADMO c1ccc(COc2ccnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164864032 721086165 /nfs/dbraw/zinc/08/61/65/721086165.db2.gz DNPNUIGTRIOHJE-VXKWHMMOSA-N 1 1 417.513 2.930 20 0 HFADMO CC(C)(C)OC(=O)c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164865649 721087995 /nfs/dbraw/zinc/08/79/95/721087995.db2.gz NWDOVYSWAKSQNM-WOJBJXKFSA-N 1 1 410.518 2.912 20 0 HFADMO Cc1nc2c(nc(Cl)nc2N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)s1 ZINC001164866951 721097790 /nfs/dbraw/zinc/09/77/90/721097790.db2.gz VLKATCPDRMNNID-GJZGRUSLSA-N 1 1 416.938 2.923 20 0 HFADMO CCOC(=O)c1cc2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)[nH]c-2n1 ZINC001164865609 721114482 /nfs/dbraw/zinc/11/44/82/721114482.db2.gz NKMATTKCJZXNIP-RTBURBONSA-N 1 1 421.501 2.614 20 0 HFADMO CCOC(=O)c1cc2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2[nH]1 ZINC001164865609 721114491 /nfs/dbraw/zinc/11/44/91/721114491.db2.gz NKMATTKCJZXNIP-RTBURBONSA-N 1 1 421.501 2.614 20 0 HFADMO CCOC(=O)c1cc2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2[nH]1 ZINC001164865609 721114499 /nfs/dbraw/zinc/11/44/99/721114499.db2.gz NKMATTKCJZXNIP-RTBURBONSA-N 1 1 421.501 2.614 20 0 HFADMO COc1ccc(C(F)(F)N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c(Cl)n1 ZINC001164772727 721124454 /nfs/dbraw/zinc/12/44/54/721124454.db2.gz VRUOFYDNASSNPM-GJZGRUSLSA-N 1 1 411.884 2.980 20 0 HFADMO Cc1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(-c2ccncc2)n1 ZINC001164875355 721135907 /nfs/dbraw/zinc/13/59/07/721135907.db2.gz KXVIUAPSMBCDNY-SFTDATJTSA-N 1 1 402.502 2.722 20 0 HFADMO COC(=O)c1cc2ccccc2nc1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164765677 721164893 /nfs/dbraw/zinc/16/48/93/721164893.db2.gz IDDOUBHJSXNLCC-MOPGFXCFSA-N 1 1 405.502 2.713 20 0 HFADMO CN(C)c1ccc(-c2ccnc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)n2)cc1 ZINC001164774376 721178981 /nfs/dbraw/zinc/17/89/81/721178981.db2.gz YTAOVMDRVMRVRI-RTWAWAEBSA-N 1 1 417.561 2.901 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)nc(=S)[nH]4)C[C@@H]3C2)cn1 ZINC001164766006 721179195 /nfs/dbraw/zinc/17/91/95/721179195.db2.gz IUKGPASBKWWIQU-OLZOCXBDSA-N 1 1 414.913 2.655 20 0 HFADMO C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2)C1 ZINC001164769379 721195484 /nfs/dbraw/zinc/19/54/84/721195484.db2.gz MFFUUSJVAPAYIA-BVYCBKJFSA-N 1 1 422.577 2.646 20 0 HFADMO C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nc2)C1 ZINC001164769387 721196551 /nfs/dbraw/zinc/19/65/51/721196551.db2.gz MFFUUSJVAPAYIA-QIJUGHKUSA-N 1 1 422.577 2.646 20 0 HFADMO COc1cccc(-c2ccc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)nn2)c1 ZINC001164770853 721201506 /nfs/dbraw/zinc/20/15/06/721201506.db2.gz OXKNBECRBASROB-PMACEKPBSA-N 1 1 404.518 2.844 20 0 HFADMO COc1ccc(-c2cc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)ncn2)cc1 ZINC001164772871 721210357 /nfs/dbraw/zinc/21/03/57/721210357.db2.gz VTRAALVLGKKNDT-UXHICEINSA-N 1 1 404.518 2.844 20 0 HFADMO O=C(N1CCCC1)C12CC(C1)CN2c1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001164873909 721236858 /nfs/dbraw/zinc/23/68/58/721236858.db2.gz QWFDKPKIPPUVLG-UHFFFAOYSA-N 1 1 403.530 2.626 20 0 HFADMO O=C(N1CCCC1)C12CC(C1)CN2c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001164873909 721236866 /nfs/dbraw/zinc/23/68/66/721236866.db2.gz QWFDKPKIPPUVLG-UHFFFAOYSA-N 1 1 403.530 2.626 20 0 HFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)nc1 ZINC001164769338 721266098 /nfs/dbraw/zinc/26/60/98/721266098.db2.gz XMUMXKINKFCRNG-NJYVYQBISA-N 1 1 408.550 2.903 20 0 HFADMO c1cc(N2CCOCC2)ccc1-c1ccc(N2CC3(C2)CC[N@H+](CC2CC2)C3)nn1 ZINC001164774665 721301853 /nfs/dbraw/zinc/30/18/53/721301853.db2.gz GYNMCLZIPUVHIK-UHFFFAOYSA-N 1 1 405.546 2.902 20 0 HFADMO CN(C)C1=[NH+]OC2(C1)CCN([C@@](F)(COc1cncc(Cl)n1)C(F)F)CC2 ZINC001164873910 721326981 /nfs/dbraw/zinc/32/69/81/721326981.db2.gz DUPIUCUWHSORLU-INIZCTEOSA-N 1 1 407.824 2.570 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001164887500 721339243 /nfs/dbraw/zinc/33/92/43/721339243.db2.gz UZVJPLOKGCXHGD-UTKZUKDTSA-N 1 1 407.942 2.558 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cnc4cccnc4n3)C2)C1 ZINC001164780042 721346684 /nfs/dbraw/zinc/34/66/84/721346684.db2.gz YWEGQFOGUXYZPI-JOCHJYFZSA-N 1 1 408.506 2.749 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cnc4cccnc4n3)C2)C1 ZINC001164780042 721346689 /nfs/dbraw/zinc/34/66/89/721346689.db2.gz YWEGQFOGUXYZPI-JOCHJYFZSA-N 1 1 408.506 2.749 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5ccoc54)C3)O2)CC1 ZINC001164894488 721389531 /nfs/dbraw/zinc/38/95/31/721389531.db2.gz YJMUFRRMWJRDDK-MGPUTAFESA-N 1 1 405.930 2.642 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccnc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164885706 721390265 /nfs/dbraw/zinc/39/02/65/721390265.db2.gz DDJBPDAJFCEOKX-ZJSXRUAMSA-N 1 1 407.562 2.909 20 0 HFADMO Cc1c[nH]c2nc(Cl)nc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c12 ZINC001164892517 721400432 /nfs/dbraw/zinc/40/04/32/721400432.db2.gz YQAKAAYKEZJCJI-HRAATJIYSA-N 1 1 418.973 2.685 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN([C@@H](F)Oc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164883898 721411091 /nfs/dbraw/zinc/41/10/91/721411091.db2.gz CLLCQBKQQKFCMI-DFQSSKMNSA-N 1 1 412.937 2.628 20 0 HFADMO CSc1cnc(Cl)nc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164884041 721415198 /nfs/dbraw/zinc/41/51/98/721415198.db2.gz CZYUVDJXDNATMV-HNAYVOBHSA-N 1 1 412.003 2.617 20 0 HFADMO CSc1cnc(Cl)nc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164884044 721415729 /nfs/dbraw/zinc/41/57/29/721415729.db2.gz CZYUVDJXDNATMV-KXBFYZLASA-N 1 1 412.003 2.617 20 0 HFADMO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164785494 721420266 /nfs/dbraw/zinc/42/02/66/721420266.db2.gz MVBMNWFESUFWPH-GASCZTMLSA-N 1 1 415.563 2.583 20 0 HFADMO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164785494 721420268 /nfs/dbraw/zinc/42/02/68/721420268.db2.gz MVBMNWFESUFWPH-GASCZTMLSA-N 1 1 415.563 2.583 20 0 HFADMO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164785497 721420433 /nfs/dbraw/zinc/42/04/33/721420433.db2.gz MVBMNWFESUFWPH-GJZGRUSLSA-N 1 1 415.563 2.583 20 0 HFADMO COC(=O)/C=C/c1cc2cc[nH]c2c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164785522 721421105 /nfs/dbraw/zinc/42/11/05/721421105.db2.gz NDHQGSWPMYZVBH-HSSFLUBNSA-N 1 1 409.515 2.774 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nnc(Cl)c5ccoc54)C3)O2)CC1 ZINC001164890522 721423206 /nfs/dbraw/zinc/42/32/06/721423206.db2.gz SYZGYTBWPBXIQJ-QRWLVFNGSA-N 1 1 405.930 2.642 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccnc(Cc5ccccc5)n4)C3)O2)CC1 ZINC001164889569 721440590 /nfs/dbraw/zinc/44/05/90/721440590.db2.gz BTWLBYRHHRUGCV-RCZVLFRGSA-N 1 1 421.589 2.833 20 0 HFADMO CC(C)Sc1ccc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nn1 ZINC001164888806 721442100 /nfs/dbraw/zinc/44/21/00/721442100.db2.gz AZQHIUPEWDSHOD-WIYYLYMNSA-N 1 1 405.612 2.743 20 0 HFADMO CC(C)Sc1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nn1 ZINC001164888802 721442178 /nfs/dbraw/zinc/44/21/78/721442178.db2.gz AZQHIUPEWDSHOD-RXVVDRJESA-N 1 1 405.612 2.743 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc5c(nc4Cl)CCCC5)C3)O2)CC1 ZINC001164888401 721451789 /nfs/dbraw/zinc/45/17/89/721451789.db2.gz LXXDCOZGYVPQRB-VGOFRKELSA-N 1 1 420.001 2.774 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)cc(OC)n1)CC2 ZINC001164785843 721458453 /nfs/dbraw/zinc/45/84/53/721458453.db2.gz NXLIDKNTPFFEGB-LJQANCHMSA-N 1 1 404.555 2.528 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3c(n1)CCCN3)CC2 ZINC001164784505 721459656 /nfs/dbraw/zinc/45/96/56/721459656.db2.gz INICLVBSCACTNC-LJQANCHMSA-N 1 1 415.582 2.569 20 0 HFADMO CCOc1nccc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164789323 721460801 /nfs/dbraw/zinc/46/08/01/721460801.db2.gz WXKKDUPLGFRMMK-LJQANCHMSA-N 1 1 404.555 2.609 20 0 HFADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(C(N)=O)nc(C3CC3)n1)CC2 ZINC001164797073 721504420 /nfs/dbraw/zinc/50/44/20/721504420.db2.gz YPQMDNFNIRSSCI-UHFFFAOYSA-N 1 1 406.534 2.729 20 0 HFADMO O=C(c1cccnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1)N1CCCC1 ZINC001164900321 721509084 /nfs/dbraw/zinc/50/90/84/721509084.db2.gz QDORNYYDWAHWKU-AZUAARDMSA-N 1 1 410.493 2.799 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)cn2)[C@H]2CCCO[C@@H]12 ZINC001164798972 721531818 /nfs/dbraw/zinc/53/18/18/721531818.db2.gz AGETZZIOMRVADO-HDMKZQKVSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)cn2)[C@H]2CCCO[C@@H]12 ZINC001164798972 721531821 /nfs/dbraw/zinc/53/18/21/721531821.db2.gz AGETZZIOMRVADO-HDMKZQKVSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3ccncc32)[C@@H]2CCCO[C@H]12 ZINC001164808988 721534474 /nfs/dbraw/zinc/53/44/74/721534474.db2.gz SVKFXNGAUGITIR-QRVBRYPASA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3ccncc32)[C@@H]2CCCO[C@H]12 ZINC001164808988 721534476 /nfs/dbraw/zinc/53/44/76/721534476.db2.gz SVKFXNGAUGITIR-QRVBRYPASA-N 1 1 410.909 2.941 20 0 HFADMO CCOC(=O)c1cc(F)cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164805172 721535496 /nfs/dbraw/zinc/53/54/96/721535496.db2.gz LADMBDALIPPHDL-SLFFLAALSA-N 1 1 414.481 2.661 20 0 HFADMO CCOC(=O)c1cc(F)cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164805172 721535499 /nfs/dbraw/zinc/53/54/99/721535499.db2.gz LADMBDALIPPHDL-SLFFLAALSA-N 1 1 414.481 2.661 20 0 HFADMO COC(=O)c1cc(Cl)cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164807750 721538226 /nfs/dbraw/zinc/53/82/26/721538226.db2.gz QYUFPHPJKXHCSW-CMKODMSKSA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1cc(Cl)cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164807750 721538229 /nfs/dbraw/zinc/53/82/29/721538229.db2.gz QYUFPHPJKXHCSW-CMKODMSKSA-N 1 1 416.909 2.785 20 0 HFADMO O=C1NCc2c1c(N1CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C1)nc(Cl)c2F ZINC001164908112 721538885 /nfs/dbraw/zinc/53/88/85/721538885.db2.gz OSICEIWZUPROKW-JSGCOSHPSA-N 1 1 420.847 2.599 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cccnc32)[C@@H]2CCCO[C@H]21 ZINC001164805976 721539168 /nfs/dbraw/zinc/53/91/68/721539168.db2.gz NCFSGXGIPWIPPU-ZHALLVOQSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cccnc32)[C@@H]2CCCO[C@H]21 ZINC001164805976 721539170 /nfs/dbraw/zinc/53/91/70/721539170.db2.gz NCFSGXGIPWIPPU-ZHALLVOQSA-N 1 1 410.909 2.941 20 0 HFADMO CC(C)c1nc(N(C)C)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164911542 721541459 /nfs/dbraw/zinc/54/14/59/721541459.db2.gz XCOTXHYAYHONDB-WMZOPIPTSA-N 1 1 400.502 2.542 20 0 HFADMO CCOC(=O)c1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c(C)c1 ZINC001164802311 721542530 /nfs/dbraw/zinc/54/25/30/721542530.db2.gz FXPMOUGELAETRE-QHAWAJNXSA-N 1 1 410.518 2.830 20 0 HFADMO Cc1nc2nc(Cl)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2[nH]1 ZINC001164800657 721543125 /nfs/dbraw/zinc/54/31/25/721543125.db2.gz CYFPESZBOQYJTC-YQQAZPJKSA-N 1 1 413.913 2.578 20 0 HFADMO Cc1nc2nc(Cl)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2[nH]1 ZINC001164800657 721543127 /nfs/dbraw/zinc/54/31/27/721543127.db2.gz CYFPESZBOQYJTC-YQQAZPJKSA-N 1 1 413.913 2.578 20 0 HFADMO COC(OC)c1cc(C)cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164807310 721571055 /nfs/dbraw/zinc/57/10/55/721571055.db2.gz SOYSFHUCQNFGCV-QHAWAJNXSA-N 1 1 412.534 2.945 20 0 HFADMO Cc1noc(-c2cccnc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164808105 721579572 /nfs/dbraw/zinc/57/95/72/721579572.db2.gz PXDWCMJMSWNKAE-SLFFLAALSA-N 1 1 406.490 2.703 20 0 HFADMO Cc1noc(-c2cccnc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164808105 721579575 /nfs/dbraw/zinc/57/95/75/721579575.db2.gz PXDWCMJMSWNKAE-SLFFLAALSA-N 1 1 406.490 2.703 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccccn3)ncn2)[C@H]2CCCO[C@@H]12 ZINC001164806146 721580931 /nfs/dbraw/zinc/58/09/31/721580931.db2.gz MBUMKELIKHPRKB-QZNHQXDQSA-N 1 1 402.502 2.802 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccccn3)ncn2)[C@H]2CCCO[C@@H]12 ZINC001164806146 721580935 /nfs/dbraw/zinc/58/09/35/721580935.db2.gz MBUMKELIKHPRKB-QZNHQXDQSA-N 1 1 402.502 2.802 20 0 HFADMO CN(C)C(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164904184 721699188 /nfs/dbraw/zinc/69/91/88/721699188.db2.gz DQPAQKMKQNYXDA-NRFANRHFSA-N 1 1 415.488 2.916 20 0 HFADMO CCOC(=O)c1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cn1 ZINC001164903632 721701949 /nfs/dbraw/zinc/70/19/49/721701949.db2.gz AWEVZSXATDDCSV-HXUWFJFHSA-N 1 1 417.460 2.786 20 0 HFADMO CCOC(=O)c1nccnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908679 721703703 /nfs/dbraw/zinc/70/37/03/721703703.db2.gz YNYSHTOMZBXPPR-FQEVSTJZSA-N 1 1 417.460 2.786 20 0 HFADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cnc(Cl)nc2Cl)CC1 ZINC001165007775 721729795 /nfs/dbraw/zinc/72/97/95/721729795.db2.gz HLNLBWDNQJJJIZ-UHFFFAOYSA-N 1 1 422.307 2.851 20 0 HFADMO Cc1cc2c(ncnc2N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)s1 ZINC001164910308 721767313 /nfs/dbraw/zinc/76/73/13/721767313.db2.gz BDPRRMQFIRYEEV-NRFANRHFSA-N 1 1 411.531 2.503 20 0 HFADMO Cc1cc2c(ncnc2N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)s1 ZINC001164910308 721767316 /nfs/dbraw/zinc/76/73/16/721767316.db2.gz BDPRRMQFIRYEEV-NRFANRHFSA-N 1 1 411.531 2.503 20 0 HFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@]4(C[C@@H](Oc5cccnc5)CO4)C3)c2)CC1 ZINC001164916165 721807565 /nfs/dbraw/zinc/80/75/65/721807565.db2.gz OHOJSTSNLHWBMT-GGAORHGYSA-N 1 1 410.518 2.766 20 0 HFADMO CN(C)c1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc2nc[nH]c21 ZINC001165026807 721816372 /nfs/dbraw/zinc/81/63/72/721816372.db2.gz RGGPCTAJBWQXQK-SZMVWBNQSA-N 1 1 406.538 2.551 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccnc(-n4ccccc4=O)n3)C[C@@H]21 ZINC001165021306 721825844 /nfs/dbraw/zinc/82/58/44/721825844.db2.gz DUGIIXSZOZBWHI-HLAWJBBLSA-N 1 1 416.529 2.759 20 0 HFADMO c1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N(c2nc4ccsc4c(N4CCOCC4)n2)C3)co1 ZINC001164929809 721900029 /nfs/dbraw/zinc/90/00/29/721900029.db2.gz XANMPRNZPDCUPD-SJORKVTESA-N 1 1 411.531 2.832 20 0 HFADMO COC(=O)c1c(Cl)cnc(N2CC[NH+](CCOc3ccccc3)CC2)c1OC ZINC001165043950 721959016 /nfs/dbraw/zinc/95/90/16/721959016.db2.gz AOPYEIVXGJLFKI-UHFFFAOYSA-N 1 1 405.882 2.731 20 0 HFADMO Cc1cc(NC(=O)c2cccnc2N2CC[NH+](CCOc3ccccc3)CC2)no1 ZINC001165044337 721959521 /nfs/dbraw/zinc/95/95/21/721959521.db2.gz IDEHVLCWHZAZFI-UHFFFAOYSA-N 1 1 407.474 2.831 20 0 HFADMO FC(F)Oc1cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1 ZINC001164963055 722057991 /nfs/dbraw/zinc/05/79/91/722057991.db2.gz GUMXOJADEPVRIN-UHFFFAOYSA-N 1 1 405.449 2.592 20 0 HFADMO COc1cc2nc(Cl)nc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c2cc1OC ZINC001164967989 722070635 /nfs/dbraw/zinc/07/06/35/722070635.db2.gz XKIMHAOHBJLBNG-OKILXGFUSA-N 1 1 404.898 2.600 20 0 HFADMO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164968096 722076720 /nfs/dbraw/zinc/07/67/20/722076720.db2.gz QHVWWKKYEHFVGJ-OKILXGFUSA-N 1 1 411.840 2.629 20 0 HFADMO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164968096 722076722 /nfs/dbraw/zinc/07/67/22/722076722.db2.gz QHVWWKKYEHFVGJ-OKILXGFUSA-N 1 1 411.840 2.629 20 0 HFADMO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164968187 722077957 /nfs/dbraw/zinc/07/79/57/722077957.db2.gz VDXYMEJBMHBKLH-GASCZTMLSA-N 1 1 416.856 2.671 20 0 HFADMO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164968187 722077958 /nfs/dbraw/zinc/07/79/58/722077958.db2.gz VDXYMEJBMHBKLH-GASCZTMLSA-N 1 1 416.856 2.671 20 0 HFADMO C[N@@H+](Cc1ccc(N2C[C@@H]3CN(S(C)(=O)=O)c4ccccc4[C@H]3C2)nc1)C1CC1 ZINC001164976610 722090770 /nfs/dbraw/zinc/09/07/70/722090770.db2.gz SCQUPYYWUHDCEZ-XLIONFOSSA-N 1 1 412.559 2.675 20 0 HFADMO COC(=O)c1cnc(Cl)cc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978281 722100118 /nfs/dbraw/zinc/10/01/18/722100118.db2.gz GOZVRHDNPUWSBB-APWZRJJASA-N 1 1 416.909 2.644 20 0 HFADMO CSc1nc(Cl)cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977206 722100749 /nfs/dbraw/zinc/10/07/49/722100749.db2.gz FBCNYVLHVSKFNZ-HOTGVXAUSA-N 1 1 405.955 2.974 20 0 HFADMO Clc1ccc2c(ncnc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164980657 722104791 /nfs/dbraw/zinc/10/47/91/722104791.db2.gz JUEMXTKBHONUSF-WMZOPIPTSA-N 1 1 410.909 2.801 20 0 HFADMO COC(=O)c1cc(Cl)cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982864 722106024 /nfs/dbraw/zinc/10/60/24/722106024.db2.gz PQMPOTMKZQIIAY-APWZRJJASA-N 1 1 416.909 2.644 20 0 HFADMO COc1ccc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164986427 722106784 /nfs/dbraw/zinc/10/67/84/722106784.db2.gz YZQQRRCAQZHYEV-PGRDOPGGSA-N 1 1 405.502 2.761 20 0 HFADMO COc1nc2ccccc2nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164986206 722107171 /nfs/dbraw/zinc/10/71/71/722107171.db2.gz YJCHDJKWHNHMKC-RXVVDRJESA-N 1 1 405.502 2.761 20 0 HFADMO F[C@H](Oc1ccnc(Cl)c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976313 722108215 /nfs/dbraw/zinc/10/82/15/722108215.db2.gz LENXIFHATMFBTC-QRFRQXIXSA-N 1 1 406.889 2.985 20 0 HFADMO Clc1nc2c(c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CSC2 ZINC001164982731 722108710 /nfs/dbraw/zinc/10/87/10/722108710.db2.gz XUTALWWDVLBPBJ-MAUKXSAKSA-N 1 1 417.966 2.999 20 0 HFADMO COc1ccc2cnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164972584 722109006 /nfs/dbraw/zinc/10/90/06/722109006.db2.gz GCWHCONYJIONGY-DENIHFKCSA-N 1 1 405.502 2.761 20 0 HFADMO COc1ccc2cnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164972587 722109141 /nfs/dbraw/zinc/10/91/41/722109141.db2.gz GCWHCONYJIONGY-KNQAVFIVSA-N 1 1 405.502 2.761 20 0 HFADMO CCOc1nc(Cl)cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981879 722109497 /nfs/dbraw/zinc/10/94/97/722109497.db2.gz VJYVAMXMZDSFPJ-IAGOWNOFSA-N 1 1 403.914 2.651 20 0 HFADMO Clc1nc2c(c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n1)SCC2 ZINC001164976618 722110817 /nfs/dbraw/zinc/11/08/17/722110817.db2.gz LYHOFNCVLJYYQA-RDJZCZTQSA-N 1 1 417.966 2.901 20 0 HFADMO CSc1nc(Cl)ncc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973316 722117149 /nfs/dbraw/zinc/11/71/49/722117149.db2.gz GZOIQFXOOPRKLX-WBVHZDCISA-N 1 1 405.955 2.974 20 0 HFADMO CSc1nc(Cl)ncc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973304 722117451 /nfs/dbraw/zinc/11/74/51/722117451.db2.gz GZOIQFXOOPRKLX-DOTOQJQBSA-N 1 1 405.955 2.974 20 0 HFADMO COc1ccc2c(c1)ncnc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975623 722118773 /nfs/dbraw/zinc/11/87/73/722118773.db2.gz KBOINCRWEJDADR-GCJKJVERSA-N 1 1 405.502 2.761 20 0 HFADMO Nc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971951 722120908 /nfs/dbraw/zinc/12/09/08/722120908.db2.gz DZMIANSKPSUCMB-CRAIPNDOSA-N 1 1 423.895 2.984 20 0 HFADMO CCOC(=O)c1c(C)ccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984652 722132779 /nfs/dbraw/zinc/13/27/79/722132779.db2.gz YFWOFKIYGAJMTI-UXHICEINSA-N 1 1 410.518 2.689 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4cc(N5CCCCC5)ncn4)CC[C@H]3C2)c1 ZINC001164983860 722139609 /nfs/dbraw/zinc/13/96/09/722139609.db2.gz VWLFFBHOFCWKLX-SFTDATJTSA-N 1 1 408.550 2.589 20 0 HFADMO CCN(C)c1cc[nH+]c(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)n1 ZINC001164987559 722173639 /nfs/dbraw/zinc/17/36/39/722173639.db2.gz OEYUJMMMRXMVFC-ROUUACIJSA-N 1 1 402.568 2.567 20 0 HFADMO Cc1nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c(Cl)cc1Cl ZINC001165002308 722236521 /nfs/dbraw/zinc/23/65/21/722236521.db2.gz UBRBWTIFGCULIL-UHFFFAOYSA-N 1 1 407.349 2.844 20 0 HFADMO C[C@@H](NC(=O)C(=O)Nc1cccc(Br)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000793018366 1078050514 /nfs/dbraw/zinc/05/05/14/1078050514.db2.gz DGHHLYNYQXPCTO-CHWSQXEVSA-N 1 1 409.328 2.552 20 0 HFADMO CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)cc1 ZINC000790533152 1078052387 /nfs/dbraw/zinc/05/23/87/1078052387.db2.gz ZNCXQQXXUGMMDW-UHFFFAOYSA-N 1 1 418.950 2.924 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1[nH]nc2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000790574039 1078058251 /nfs/dbraw/zinc/05/82/51/1078058251.db2.gz ANJMCJNALHEZMK-INIZCTEOSA-N 1 1 405.543 2.553 20 0 HFADMO CC(=O)c1ccc(N2CCN(C(=O)NC[C@H]3[N@@H+](C)CCCC3(C)C)CC2)c(F)c1 ZINC000790543428 1078059886 /nfs/dbraw/zinc/05/98/86/1078059886.db2.gz RYNQCCREALLRQV-HXUWFJFHSA-N 1 1 404.530 2.980 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000790583658 1078061874 /nfs/dbraw/zinc/06/18/74/1078061874.db2.gz OAAFFFSMPQSEME-MRXNPFEDSA-N 1 1 406.328 2.880 20 0 HFADMO COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000790584517 1078062030 /nfs/dbraw/zinc/06/20/30/1078062030.db2.gz SLIQIWVRWKTBNA-RTBURBONSA-N 1 1 405.539 2.555 20 0 HFADMO CCOC(=O)N1CC[C@H]([NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000793085741 1078064403 /nfs/dbraw/zinc/06/44/03/1078064403.db2.gz NPCMTTTWFGETII-VIFPVBQESA-N 1 1 410.202 2.890 20 0 HFADMO O=C(c1nc(Br)ccc1Br)N1CC[NH+](C2CCC2)CC1 ZINC000790639824 1078073095 /nfs/dbraw/zinc/07/30/95/1078073095.db2.gz MJCMLZBUKIYXRX-UHFFFAOYSA-N 1 1 403.118 2.917 20 0 HFADMO COCc1cnc(C[NH2+]Cc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)s1 ZINC000790605339 1078065441 /nfs/dbraw/zinc/06/54/41/1078065441.db2.gz CLCUFGFSTBNPMS-HXUWFJFHSA-N 1 1 400.504 2.804 20 0 HFADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1 ZINC000793091493 1078066881 /nfs/dbraw/zinc/06/68/81/1078066881.db2.gz HYXGUXBTAGNBGV-WVBUVRCRSA-N 1 1 400.523 2.570 20 0 HFADMO COCC1(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793059794 1078068987 /nfs/dbraw/zinc/06/89/87/1078068987.db2.gz QGJZERLRBVEDDE-QZTJIDSGSA-N 1 1 411.587 2.887 20 0 HFADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1csc(CCNC(=O)OC(C)(C)C)n1 ZINC000793121223 1078070524 /nfs/dbraw/zinc/07/05/24/1078070524.db2.gz QCDQMCQPGFDWEP-CYBMUJFWSA-N 1 1 407.540 2.781 20 0 HFADMO Cc1nn(C)c(Cl)c1C[NH2+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC000790611066 1078074910 /nfs/dbraw/zinc/07/49/10/1078074910.db2.gz QIFCKUFQIALUEN-FQEVSTJZSA-N 1 1 401.898 2.897 20 0 HFADMO Cc1nn(C)c(Cl)c1C[NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC000790611067 1078074973 /nfs/dbraw/zinc/07/49/73/1078074973.db2.gz QIFCKUFQIALUEN-HXUWFJFHSA-N 1 1 401.898 2.897 20 0 HFADMO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000772827117 1078084600 /nfs/dbraw/zinc/08/46/00/1078084600.db2.gz HBZRSNWXUCULGY-UWUFEASWSA-N 1 1 422.573 2.849 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2ccn(Cc3ccccc3)n2)cn1 ZINC000790673559 1078086800 /nfs/dbraw/zinc/08/68/00/1078086800.db2.gz PMZDARJKBLOMKS-UHFFFAOYSA-N 1 1 401.474 2.820 20 0 HFADMO Cn1c2nn(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c(=S)n2c2ccccc2c1=O ZINC000772828306 1078090368 /nfs/dbraw/zinc/09/03/68/1078090368.db2.gz MEYKZEVOMWFQPI-CRAIPNDOSA-N 1 1 424.574 2.623 20 0 HFADMO C[N@@H+](CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)C1CCCCC1 ZINC000793213712 1078099195 /nfs/dbraw/zinc/09/91/95/1078099195.db2.gz DWEXJZPYJUNCTG-NHCUHLMSSA-N 1 1 424.545 2.959 20 0 HFADMO Cc1ccc(N2C(=O)C(=O)N(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)C2=O)c(C)c1 ZINC000772829080 1078099887 /nfs/dbraw/zinc/09/98/87/1078099887.db2.gz RBNJZAJONBRCGL-FXAWDEMLSA-N 1 1 410.518 2.505 20 0 HFADMO Cc1cc(CNC(=O)C=CC(=O)Nc2ccc3n[nH]cc3c2)cc(N2CCCC2)[nH+]1 ZINC000793226615 1078101477 /nfs/dbraw/zinc/10/14/77/1078101477.db2.gz VKMBXHUBWZBWDB-SREVYHEPSA-N 1 1 404.474 2.678 20 0 HFADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)c1cc(C=O)c(C)cc1C ZINC000793234414 1078102872 /nfs/dbraw/zinc/10/28/72/1078102872.db2.gz ADMOEAJXBLEBKI-UHFFFAOYSA-N 1 1 409.486 2.764 20 0 HFADMO CC(C)[N@H+]1CC[C@@H](CNC(=O)N2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)C1 ZINC000790770245 1078113339 /nfs/dbraw/zinc/11/33/39/1078113339.db2.gz PWPRSGAEXRXRDW-ULQDDVLXSA-N 1 1 400.539 2.706 20 0 HFADMO CN1c2ccc(C[NH2+][C@@H](C(N)=O)c3cccc(Br)c3)cc2CCC1=O ZINC000793264560 1078113407 /nfs/dbraw/zinc/11/34/07/1078113407.db2.gz BDISTEFUJBSGID-GOSISDBHSA-N 1 1 402.292 2.674 20 0 HFADMO CC(C)(C)OC(=O)N1CCCc2cc(C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)ccc21 ZINC000793290328 1078119551 /nfs/dbraw/zinc/11/95/51/1078119551.db2.gz FGJFIWZYHXJHHX-RBUKOAKNSA-N 1 1 415.534 2.967 20 0 HFADMO CC(C)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001691696285 1078123583 /nfs/dbraw/zinc/12/35/83/1078123583.db2.gz SVUKHZCXQCVXME-ZVDOUQERSA-N 1 1 418.630 2.964 20 0 HFADMO CC1(C)CN(c2ccc(Cl)cc2)CCN1C(=S)NCCC[NH+]1CCOCC1 ZINC000793343417 1078130767 /nfs/dbraw/zinc/13/07/67/1078130767.db2.gz XXGAOIQDSUGIDQ-UHFFFAOYSA-N 1 1 411.015 2.837 20 0 HFADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1CC(c2cccnc2)=NO1 ZINC000790817850 1078154247 /nfs/dbraw/zinc/15/42/47/1078154247.db2.gz HQTRLFBXNMAWGW-SIKLNZKXSA-N 1 1 408.502 2.793 20 0 HFADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790817853 1078154283 /nfs/dbraw/zinc/15/42/83/1078154283.db2.gz HQTRLFBXNMAWGW-UGKGYDQZSA-N 1 1 408.502 2.793 20 0 HFADMO COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000790896543 1078175590 /nfs/dbraw/zinc/17/55/90/1078175590.db2.gz QJTXRCNLIPPJCM-RBUKOAKNSA-N 1 1 402.539 2.928 20 0 HFADMO Cc1cc(C)c(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1C=O ZINC000793465886 1078180917 /nfs/dbraw/zinc/18/09/17/1078180917.db2.gz KFPICIWTOYBJEQ-FQEVSTJZSA-N 1 1 407.514 2.743 20 0 HFADMO O=C(Nc1nncs1)C1CC[NH+](CN2CC[C@@H](CCc3ccccc3)C2=O)CC1 ZINC000793487310 1078190978 /nfs/dbraw/zinc/19/09/78/1078190978.db2.gz SZLWCBMDHIFNNA-GOSISDBHSA-N 1 1 413.547 2.627 20 0 HFADMO Cc1ccc(CC2CC[NH+](CN3C(=O)C[C@H](Cc4cnn(C)c4)C3=O)CC2)cc1C ZINC000793521723 1078198215 /nfs/dbraw/zinc/19/82/15/1078198215.db2.gz NWCNHQKOFAMYJC-QFIPXVFZSA-N 1 1 408.546 2.867 20 0 HFADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)Cc2sc(SC(F)F)nc2C)CC1 ZINC000793493082 1078201053 /nfs/dbraw/zinc/20/10/53/1078201053.db2.gz JTEGYQXLDCLJRZ-LBPRGKRZSA-N 1 1 406.568 2.699 20 0 HFADMO CC(C)c1[nH+]ccn1CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793495972 1078202001 /nfs/dbraw/zinc/20/20/01/1078202001.db2.gz CUZUCFCNYGQKPA-KDURUIRLSA-N 1 1 421.501 2.715 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCC(O)(c2cccc(C)c2C)CC1 ZINC000793560765 1078210713 /nfs/dbraw/zinc/21/07/13/1078210713.db2.gz JABAXDHPCBEKLH-UHFFFAOYSA-N 1 1 407.518 2.963 20 0 HFADMO COc1ccc(N=c2scc(C[NH2+]C(CO)CO)n2[C@@H](C)c2ccccc2)cc1 ZINC001170434342 1078212733 /nfs/dbraw/zinc/21/27/33/1078212733.db2.gz HSQKDFHKRCGLRA-INIZCTEOSA-N 1 1 413.543 2.843 20 0 HFADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000793585113 1078215312 /nfs/dbraw/zinc/21/53/12/1078215312.db2.gz LTCNBSHRPDEAPG-YYWHXJBOSA-N 1 1 424.545 2.769 20 0 HFADMO COC(=O)c1ccc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)c(Br)c1 ZINC000793586802 1078215721 /nfs/dbraw/zinc/21/57/21/1078215721.db2.gz DVPGHKAFMNIQAN-QGZVFWFLSA-N 1 1 422.323 2.915 20 0 HFADMO COc1ccc(CN2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c(Cl)c1OC ZINC000793605122 1078222629 /nfs/dbraw/zinc/22/26/29/1078222629.db2.gz DRVNKHHHXVPZBS-HNNXBMFYSA-N 1 1 413.946 2.998 20 0 HFADMO COc1ccc(CN2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c(Cl)c1OC ZINC000793605122 1078222632 /nfs/dbraw/zinc/22/26/32/1078222632.db2.gz DRVNKHHHXVPZBS-HNNXBMFYSA-N 1 1 413.946 2.998 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](Cc3cccc(NS(C)(=O)=O)c3)C2)C1 ZINC000793605881 1078223230 /nfs/dbraw/zinc/22/32/30/1078223230.db2.gz RYEDGLKUTGQFSG-FQEVSTJZSA-N 1 1 409.552 2.891 20 0 HFADMO Cc1cccc(NCCNC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)[nH+]1 ZINC000793574762 1078225729 /nfs/dbraw/zinc/22/57/29/1078225729.db2.gz FBGAMFQQVDYBLY-OALUTQOASA-N 1 1 419.485 2.510 20 0 HFADMO CNS(=O)(=O)c1cccc2c1CC[N@H+](C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)C2 ZINC000793609618 1078227450 /nfs/dbraw/zinc/22/74/50/1078227450.db2.gz QITQEVAGOUGROU-OAQYLSRUSA-N 1 1 423.579 2.600 20 0 HFADMO CNS(=O)(=O)c1cccc2c1CC[N@@H+](C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)C2 ZINC000793609618 1078227455 /nfs/dbraw/zinc/22/74/55/1078227455.db2.gz QITQEVAGOUGROU-OAQYLSRUSA-N 1 1 423.579 2.600 20 0 HFADMO CC[C@H](c1nn(CN2CCO[C@@H]3C[C@@H]32)c(=S)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000793614932 1078228416 /nfs/dbraw/zinc/22/84/16/1078228416.db2.gz NCGWEIPOSQNCLD-FGTMMUONSA-N 1 1 403.552 2.855 20 0 HFADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(=O)NCc2ccc([C@@H](C)O)cc2)cc1 ZINC000793656040 1078258657 /nfs/dbraw/zinc/25/86/57/1078258657.db2.gz WSVVIHFDOQIPSN-JKSUJKDBSA-N 1 1 406.486 2.728 20 0 HFADMO COCc1nn(CN2CC[N@@H+](CCCc3ccccc3)C[C@@H]2CC(C)C)c(=O)o1 ZINC000793726669 1078268242 /nfs/dbraw/zinc/26/82/42/1078268242.db2.gz YJGSACHARNLQAR-FQEVSTJZSA-N 1 1 402.539 2.605 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC001170436663 1078278073 /nfs/dbraw/zinc/27/80/73/1078278073.db2.gz JMAFXYWUVDVRNP-VGSWGCGISA-N 1 1 401.507 2.824 20 0 HFADMO CC[N@H+]1C[C@H](C)N(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)C[C@H]1C ZINC000793754921 1078278620 /nfs/dbraw/zinc/27/86/20/1078278620.db2.gz JAMKSICUBPVOKE-WOUAJJJCSA-N 1 1 410.518 2.519 20 0 HFADMO CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)C1=O ZINC000793739891 1078286814 /nfs/dbraw/zinc/28/68/14/1078286814.db2.gz AKAGZFJAPUKPCS-JTSKRJEESA-N 1 1 401.507 2.558 20 0 HFADMO CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(C[N@H+]2CCOC[C@@H](C3CCC3)C2)C1=O ZINC000793739891 1078286818 /nfs/dbraw/zinc/28/68/18/1078286818.db2.gz AKAGZFJAPUKPCS-JTSKRJEESA-N 1 1 401.507 2.558 20 0 HFADMO C[N@H+]1CC[C@@]2(CCN(Cn3nc(N4CCCCC4)n(C[C@H]4CCCO4)c3=S)C2)C1 ZINC000793747413 1078289374 /nfs/dbraw/zinc/28/93/74/1078289374.db2.gz QXIOVMWBTDZOSG-WIYYLYMNSA-N 1 1 420.627 2.568 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC[C@H]1c1ccc(C)cc1 ZINC000793809290 1078306511 /nfs/dbraw/zinc/30/65/11/1078306511.db2.gz HGFXCOSLVMMTON-FQEVSTJZSA-N 1 1 403.486 2.864 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)Cc1ccc(Cl)s1 ZINC000793805423 1078304389 /nfs/dbraw/zinc/30/43/89/1078304389.db2.gz GVRJOMBAMDXRQQ-UHFFFAOYSA-N 1 1 403.895 2.565 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000793806696 1078305969 /nfs/dbraw/zinc/30/59/69/1078305969.db2.gz VCTUJNBRYCDMTI-GOEBONIOSA-N 1 1 423.439 2.677 20 0 HFADMO CCOc1ccc(CC(=O)OCC(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000793819880 1078317011 /nfs/dbraw/zinc/31/70/11/1078317011.db2.gz PXALFFDFVNPUCV-UHFFFAOYSA-N 1 1 410.514 2.824 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793777065 1078308697 /nfs/dbraw/zinc/30/86/97/1078308697.db2.gz DCYGHTVEDOXQSB-PZJWPPBQSA-N 1 1 409.530 2.611 20 0 HFADMO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000793845336 1078312666 /nfs/dbraw/zinc/31/26/66/1078312666.db2.gz ZDVSZBJASMGDJS-SFHVURJKSA-N 1 1 414.937 2.722 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000793809636 1078314067 /nfs/dbraw/zinc/31/40/67/1078314067.db2.gz ZXWNZFMEZIUJII-LAUBAEHRSA-N 1 1 417.513 2.905 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000793810260 1078314087 /nfs/dbraw/zinc/31/40/87/1078314087.db2.gz TWUIHOCVXCIQDP-MAUKXSAKSA-N 1 1 407.474 2.785 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000793810261 1078314142 /nfs/dbraw/zinc/31/41/42/1078314142.db2.gz TWUIHOCVXCIQDP-QAPCUYQASA-N 1 1 407.474 2.785 20 0 HFADMO Cc1c[nH+]cn1C1CCN(C(=O)CN(C[C@H]2CCCO2)C(=O)OC(C)(C)C)CC1 ZINC000793847915 1078315847 /nfs/dbraw/zinc/31/58/47/1078315847.db2.gz MJLZOBRHUPINLZ-GOSISDBHSA-N 1 1 406.527 2.771 20 0 HFADMO Cc1ccc([C@@H](C)NC(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)s1 ZINC000793870263 1078328952 /nfs/dbraw/zinc/32/89/52/1078328952.db2.gz WUMSEBSMCBOKMJ-SJLPKXTDSA-N 1 1 417.600 2.968 20 0 HFADMO Cc1ccc([C@@H](C)NC(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)s1 ZINC000793870263 1078328958 /nfs/dbraw/zinc/32/89/58/1078328958.db2.gz WUMSEBSMCBOKMJ-SJLPKXTDSA-N 1 1 417.600 2.968 20 0 HFADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC([C@H](O)c3ccccc3)CC2)C1 ZINC000793908453 1078334529 /nfs/dbraw/zinc/33/45/29/1078334529.db2.gz IECLCTWABQQLHO-WIYYLYMNSA-N 1 1 415.578 2.585 20 0 HFADMO O=C(NC[C@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1)OCc1ccccc1 ZINC000794034178 1078370716 /nfs/dbraw/zinc/37/07/16/1078370716.db2.gz RNNPEMCHKOVGCR-LJQANCHMSA-N 1 1 410.518 2.927 20 0 HFADMO O=C(Nc1ccc(F)c(N2CCOC2=O)c1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000794096298 1078371792 /nfs/dbraw/zinc/37/17/92/1078371792.db2.gz VJBFPMKVDHVNBX-HXUWFJFHSA-N 1 1 413.449 2.919 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCc2nnc(CN3CCCCC3)n2CC1 ZINC001170442897 1078372533 /nfs/dbraw/zinc/37/25/33/1078372533.db2.gz MTLYOOXFDSGERV-IBGZPJMESA-N 1 1 411.550 2.872 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 ZINC001170443038 1078372889 /nfs/dbraw/zinc/37/28/89/1078372889.db2.gz NAUYZZRIZHYFJF-XQBPLPMBSA-N 1 1 410.518 2.754 20 0 HFADMO Cc1ccccc1CN1CCCN(C(=O)C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)CC1 ZINC001170443800 1078381154 /nfs/dbraw/zinc/38/11/54/1078381154.db2.gz TWEWKGKIFWXJKB-UPVQGACJSA-N 1 1 403.611 2.908 20 0 HFADMO CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000794233446 1078389540 /nfs/dbraw/zinc/38/95/40/1078389540.db2.gz MTOAUZLHGOASSU-OAHLLOKOSA-N 1 1 413.902 2.797 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCCC12CCN(CC(=O)N(C)C)CC2 ZINC001170444950 1078396781 /nfs/dbraw/zinc/39/67/81/1078396781.db2.gz VZFXTAGIYNMGLM-IBGZPJMESA-N 1 1 401.551 2.755 20 0 HFADMO Cc1cnc([C@@H](C)[N@H+]2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1 ZINC000794293326 1078402893 /nfs/dbraw/zinc/40/28/93/1078402893.db2.gz MKULXOVWVYDHJU-QZTJIDSGSA-N 1 1 417.554 2.637 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)N2C(C)=O)C1 ZINC001170445605 1078415392 /nfs/dbraw/zinc/41/53/92/1078415392.db2.gz XMBFZEOVIMXTJJ-CZYKHXBRSA-N 1 1 424.545 2.944 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000794391956 1078434291 /nfs/dbraw/zinc/43/42/91/1078434291.db2.gz DNXPPULWZONCST-IXDOHACOSA-N 1 1 413.559 2.736 20 0 HFADMO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000804374867 1078439303 /nfs/dbraw/zinc/43/93/03/1078439303.db2.gz HHNKYFKGXBSQFT-CRAIPNDOSA-N 1 1 404.530 2.518 20 0 HFADMO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000804374867 1078439304 /nfs/dbraw/zinc/43/93/04/1078439304.db2.gz HHNKYFKGXBSQFT-CRAIPNDOSA-N 1 1 404.530 2.518 20 0 HFADMO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000804382209 1078440875 /nfs/dbraw/zinc/44/08/75/1078440875.db2.gz YPIXDIXHEOYWFA-HNNXBMFYSA-N 1 1 403.552 2.575 20 0 HFADMO CC[NH+]1CCN(CCCCNC(=O)c2cc(F)ccc2NC(=O)[C@@H]2C[C@H]2C)CC1 ZINC000804375717 1078453071 /nfs/dbraw/zinc/45/30/71/1078453071.db2.gz ZFXOGNDFIWKAKL-SJLPKXTDSA-N 1 1 404.530 2.568 20 0 HFADMO CC[N@H+]1CCN(C(=O)C[C@](O)(c2nc3ccccc3s2)C(F)(F)F)[C@H](C)C1 ZINC000804379260 1078454747 /nfs/dbraw/zinc/45/47/47/1078454747.db2.gz ITKXSNGDEFMLKU-PXAZEXFGSA-N 1 1 401.454 2.989 20 0 HFADMO CC[N@@H+]1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)[C@@H]3CCCO[C@@H]3C2(C)C)[C@H](C)C1 ZINC000804378999 1078454942 /nfs/dbraw/zinc/45/49/42/1078454942.db2.gz FUGSITBBTZQYCE-DBHNTLKXSA-N 1 1 409.571 2.638 20 0 HFADMO CC[N@H+]1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)[C@@H]3CCCO[C@@H]3C2(C)C)[C@H](C)C1 ZINC000804378999 1078454943 /nfs/dbraw/zinc/45/49/43/1078454943.db2.gz FUGSITBBTZQYCE-DBHNTLKXSA-N 1 1 409.571 2.638 20 0 HFADMO CC[N@@H+]1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)[C@@H]3CCCO[C@@H]3C2(C)C)[C@@H](C)C1 ZINC000804379002 1078454965 /nfs/dbraw/zinc/45/49/65/1078454965.db2.gz FUGSITBBTZQYCE-DVSDUFGPSA-N 1 1 409.571 2.638 20 0 HFADMO CC[N@H+]1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)[C@@H]3CCCO[C@@H]3C2(C)C)[C@@H](C)C1 ZINC000804379002 1078454968 /nfs/dbraw/zinc/45/49/68/1078454968.db2.gz FUGSITBBTZQYCE-DVSDUFGPSA-N 1 1 409.571 2.638 20 0 HFADMO CC(C)C[N@H+]1CCO[C@@H](COC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)C1 ZINC000804400191 1078463581 /nfs/dbraw/zinc/46/35/81/1078463581.db2.gz DZXPADBZNUPIFT-GOSISDBHSA-N 1 1 424.488 2.717 20 0 HFADMO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000804429007 1078474551 /nfs/dbraw/zinc/47/45/51/1078474551.db2.gz ATXCNDLAOZDHOA-RHSMWYFYSA-N 1 1 423.989 2.763 20 0 HFADMO CCCN(CC[NH+]1CCCC1)C(=O)c1[nH]nc2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000804442696 1078509221 /nfs/dbraw/zinc/50/92/21/1078509221.db2.gz JVSBIVOFSWSLRS-UHFFFAOYSA-N 1 1 405.543 2.651 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1c(C)coc1CC(=O)OC ZINC001129812665 1078510524 /nfs/dbraw/zinc/51/05/24/1078510524.db2.gz JUQGUWZQQQMQRX-UYAOXDASSA-N 1 1 414.502 2.570 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)COc1ccc(F)c(F)c1 ZINC001129812929 1078511019 /nfs/dbraw/zinc/51/10/19/1078511019.db2.gz MVLGBIJMZLSIDZ-DYESRHJHSA-N 1 1 404.457 2.997 20 0 HFADMO O=C(c1ccc(Cn2cccn2)o1)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804446408 1078511092 /nfs/dbraw/zinc/51/10/92/1078511092.db2.gz FXTNSLNPWOWXJH-OAQYLSRUSA-N 1 1 419.529 2.557 20 0 HFADMO O=C(c1cc(=O)c2ccccc2o1)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804446390 1078511107 /nfs/dbraw/zinc/51/11/07/1078511107.db2.gz FNTLWHQNTVXRNC-FQEVSTJZSA-N 1 1 417.509 2.825 20 0 HFADMO O=C(c1cc(=O)c2ccccc2o1)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804446391 1078511149 /nfs/dbraw/zinc/51/11/49/1078511149.db2.gz FNTLWHQNTVXRNC-HXUWFJFHSA-N 1 1 417.509 2.825 20 0 HFADMO Cc1nc(C(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c2ccccn12 ZINC000804446790 1078513155 /nfs/dbraw/zinc/51/31/55/1078513155.db2.gz NUINJLFCUYBYBS-NRFANRHFSA-N 1 1 403.530 2.675 20 0 HFADMO COc1ccc(/C=C\C(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1O ZINC000804448899 1078516400 /nfs/dbraw/zinc/51/64/00/1078516400.db2.gz RDJYZLRYJBEIDN-ZVXDMYHRSA-N 1 1 421.541 2.833 20 0 HFADMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)C1 ZINC001129802050 1078526645 /nfs/dbraw/zinc/52/66/45/1078526645.db2.gz XLALBZUUIKTHSM-WOJBJXKFSA-N 1 1 401.551 2.635 20 0 HFADMO C[N@@H+](CCCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC001129515816 1078528194 /nfs/dbraw/zinc/52/81/94/1078528194.db2.gz WYAJVCFLOZNEAE-AWEZNQCLSA-N 1 1 420.000 2.545 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2cccc(S(C)(=O)=O)c2)CC1 ZINC001170455291 1078556425 /nfs/dbraw/zinc/55/64/25/1078556425.db2.gz HTMSFVMGRYXFAZ-GOSISDBHSA-N 1 1 416.543 2.962 20 0 HFADMO CCC(=O)c1ccc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c(S(N)(=O)=O)c1 ZINC000804517298 1078557945 /nfs/dbraw/zinc/55/79/45/1078557945.db2.gz RTHMXHVJSBZXNL-SFHVURJKSA-N 1 1 401.532 2.637 20 0 HFADMO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000804524609 1078564691 /nfs/dbraw/zinc/56/46/91/1078564691.db2.gz CUJQUCIQAISITE-CHWSQXEVSA-N 1 1 415.353 2.551 20 0 HFADMO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000804532697 1078570366 /nfs/dbraw/zinc/57/03/66/1078570366.db2.gz GYNIYJGYMSPDMF-UHFFFAOYSA-N 1 1 421.950 2.547 20 0 HFADMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)COC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804532772 1078570832 /nfs/dbraw/zinc/57/08/32/1078570832.db2.gz JUXCZGPLXDNZFD-UHFFFAOYSA-N 1 1 417.550 2.745 20 0 HFADMO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC001129906076 1078578382 /nfs/dbraw/zinc/57/83/82/1078578382.db2.gz WABODPORWRTOPR-QZTJIDSGSA-N 1 1 407.580 2.724 20 0 HFADMO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CCC=C(c3ccncc3)C2)CC1 ZINC000804746625 1078580830 /nfs/dbraw/zinc/58/08/30/1078580830.db2.gz BONUHHDDVCIVCY-UHFFFAOYSA-N 1 1 400.523 2.686 20 0 HFADMO C[N@@H+](CCCCNC(=O)CCS(=O)(=O)c1cccc(Br)c1)C1CC1 ZINC001129628085 1078601463 /nfs/dbraw/zinc/60/14/63/1078601463.db2.gz FOGHXMIYHLLCDE-UHFFFAOYSA-N 1 1 417.369 2.604 20 0 HFADMO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)CSc1n[nH]c(=S)s1 ZINC000747214803 1078633426 /nfs/dbraw/zinc/63/34/26/1078633426.db2.gz FITKCCDLRHLULH-UHFFFAOYSA-N 1 1 404.533 2.788 20 0 HFADMO CN(C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)C(C)(C)C[NH+]1CCOCC1 ZINC001129658258 1078642291 /nfs/dbraw/zinc/64/22/91/1078642291.db2.gz AJWMTBCUFQEXLI-KTKRTIGZSA-N 1 1 413.562 2.508 20 0 HFADMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)C1 ZINC001129679488 1078643430 /nfs/dbraw/zinc/64/34/30/1078643430.db2.gz OCXGWOQKAMTZFX-MRXNPFEDSA-N 1 1 413.609 2.723 20 0 HFADMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)C1CCN(C(=O)c2cccnc2)CC1 ZINC000747216835 1078659150 /nfs/dbraw/zinc/65/91/50/1078659150.db2.gz LGMQTJUPNXSGEL-UHFFFAOYSA-N 1 1 403.486 2.744 20 0 HFADMO CCc1nc(N2CCCC[C@H]2CNC(=O)CCNC(=O)OC(C)(C)C)cc(C)[nH+]1 ZINC000804622972 1078673311 /nfs/dbraw/zinc/67/33/11/1078673311.db2.gz KTRPCQUAVUUYPB-INIZCTEOSA-N 1 1 405.543 2.737 20 0 HFADMO C[C@@H](CNC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C)[N@H+]1CCCC[C@H]1C ZINC000804914254 1078736594 /nfs/dbraw/zinc/73/65/94/1078736594.db2.gz ZYUHEXARZWKMAA-QRJUGERDSA-N 1 1 406.493 2.736 20 0 HFADMO C[C@H](CNC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000804914251 1078736624 /nfs/dbraw/zinc/73/66/24/1078736624.db2.gz ZYUHEXARZWKMAA-QMHWVQJVSA-N 1 1 406.493 2.736 20 0 HFADMO CC(C)[C@@H](CNC(=O)N1CCC[C@H]1COC(=O)NC1CCCCC1)[NH+]1CCOCC1 ZINC000804902066 1078757989 /nfs/dbraw/zinc/75/79/89/1078757989.db2.gz SFSRRELUJJDYPI-VQTJNVASSA-N 1 1 424.586 2.576 20 0 HFADMO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000804926680 1078782753 /nfs/dbraw/zinc/78/27/53/1078782753.db2.gz NKSMDZFWIYYMFT-VQTJNVASSA-N 1 1 402.539 2.809 20 0 HFADMO COC(=O)C1(N(C(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C2CC2)CCC1 ZINC001130005022 1078782764 /nfs/dbraw/zinc/78/27/64/1078782764.db2.gz MVEVZCYUIJOKHV-IAGOWNOFSA-N 1 1 400.519 2.996 20 0 HFADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000805110637 1078895647 /nfs/dbraw/zinc/89/56/47/1078895647.db2.gz BYSQDXSWRGLIHL-VGWMRTNUSA-N 1 1 406.493 2.738 20 0 HFADMO COC1(CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCC(c2ccccc2)CC1 ZINC000805074812 1078906604 /nfs/dbraw/zinc/90/66/04/1078906604.db2.gz QBBZJFKOIDQMKR-GQLBNEHISA-N 1 1 401.551 2.892 20 0 HFADMO CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000747230362 1078949048 /nfs/dbraw/zinc/94/90/48/1078949048.db2.gz QCAYQHYXOWSQJP-FIXSFTCYSA-N 1 1 423.557 2.503 20 0 HFADMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC001130097613 1078947573 /nfs/dbraw/zinc/94/75/73/1078947573.db2.gz BITVCTCGHRTUBG-QGZVFWFLSA-N 1 1 403.910 2.747 20 0 HFADMO O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747232024 1078949964 /nfs/dbraw/zinc/94/99/64/1078949964.db2.gz PTXRFFLQUYTDRD-VSKRKVRLSA-N 1 1 407.514 2.527 20 0 HFADMO Cc1ccc(-n2ncc(C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)c2C(F)(F)F)cc1 ZINC000747231746 1078950715 /nfs/dbraw/zinc/95/07/15/1078950715.db2.gz NFLPGFFYSSUZPH-CVEARBPZSA-N 1 1 408.424 2.793 20 0 HFADMO CS[C@@H]1CC[C@@H](NC(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000805159311 1078951875 /nfs/dbraw/zinc/95/18/75/1078951875.db2.gz LKGXTUDPZLPXRH-QHAWAJNXSA-N 1 1 402.608 2.872 20 0 HFADMO CN(CCc1ccccc1F)C(=O)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000805196049 1078969942 /nfs/dbraw/zinc/96/99/42/1078969942.db2.gz KQLCCPAWTRVANU-DEOSSOPVSA-N 1 1 411.521 2.998 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c1 ZINC000805199136 1078971310 /nfs/dbraw/zinc/97/13/10/1078971310.db2.gz XFCMIQAHEPYOON-JOCHJYFZSA-N 1 1 414.937 2.831 20 0 HFADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1OCc1cn2ccccc2n1 ZINC000747236403 1078994170 /nfs/dbraw/zinc/99/41/70/1078994170.db2.gz MJOWJKAVDVWMLB-MOPGFXCFSA-N 1 1 406.486 2.506 20 0 HFADMO CCCCCCn1nc(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c2ccccc2c1=O ZINC000747236307 1078994657 /nfs/dbraw/zinc/99/46/57/1078994657.db2.gz LIUDQTLXFLOLJS-MSOLQXFVSA-N 1 1 412.534 2.570 20 0 HFADMO COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000747237946 1078997727 /nfs/dbraw/zinc/99/77/27/1078997727.db2.gz BGZIQRLWOSVKKW-GKUQOKNUSA-N 1 1 414.527 2.598 20 0 HFADMO COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000747237946 1078997732 /nfs/dbraw/zinc/99/77/32/1078997732.db2.gz BGZIQRLWOSVKKW-GKUQOKNUSA-N 1 1 414.527 2.598 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)cc1Cl ZINC000747243927 1079085303 /nfs/dbraw/zinc/08/53/03/1079085303.db2.gz VWXYSZOLQJQAPR-JTQLQIEISA-N 1 1 407.319 2.543 20 0 HFADMO CN1C(=O)N[C@@](C)(c2ccc(NC(=O)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)C1=O ZINC001130225587 1079108682 /nfs/dbraw/zinc/10/86/82/1079108682.db2.gz BMCHQWGRULJLCA-SBUREZEXSA-N 1 1 406.486 2.544 20 0 HFADMO O=C(NC[C@H]1CCC=CO1)C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000805515846 1079114625 /nfs/dbraw/zinc/11/46/25/1079114625.db2.gz WPBADPXVUCJMBR-RTBURBONSA-N 1 1 405.926 2.620 20 0 HFADMO O=C(NC[C@H]1CCC=CO1)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000805515846 1079114628 /nfs/dbraw/zinc/11/46/28/1079114628.db2.gz WPBADPXVUCJMBR-RTBURBONSA-N 1 1 405.926 2.620 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000747246573 1079123835 /nfs/dbraw/zinc/12/38/35/1079123835.db2.gz ARPZNGDTBKGARM-HBYKMFCXSA-N 1 1 406.479 2.593 20 0 HFADMO C[C@@H](CNC(=O)c1cc(Br)c2nccnc2c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130260122 1079124271 /nfs/dbraw/zinc/12/42/71/1079124271.db2.gz TXLMCPAGEXGZTB-RWMBFGLXSA-N 1 1 407.312 2.620 20 0 HFADMO C[C@@H](CNC(=O)c1cc(Br)c2nccnc2c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130260122 1079124277 /nfs/dbraw/zinc/12/42/77/1079124277.db2.gz TXLMCPAGEXGZTB-RWMBFGLXSA-N 1 1 407.312 2.620 20 0 HFADMO COc1cc(C(C)=O)ccc1OCCCC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259440 1079147828 /nfs/dbraw/zinc/14/78/28/1079147828.db2.gz DLFPQZVFJXCOQE-ZACQAIPSSA-N 1 1 406.523 2.671 20 0 HFADMO COc1cc(C(C)=O)ccc1OCCCC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259440 1079147832 /nfs/dbraw/zinc/14/78/32/1079147832.db2.gz DLFPQZVFJXCOQE-ZACQAIPSSA-N 1 1 406.523 2.671 20 0 HFADMO CC(C)(C(=O)OCC(=O)Nc1ccnn1Cc1ccccc1Cl)[NH+]1CCCC1 ZINC000805614138 1079175728 /nfs/dbraw/zinc/17/57/28/1079175728.db2.gz BBVMIAKESDOBAT-UHFFFAOYSA-N 1 1 404.898 2.941 20 0 HFADMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CCCc3cn(C(C)C)nc32)C1 ZINC000805636739 1079190173 /nfs/dbraw/zinc/19/01/73/1079190173.db2.gz BGMGXITUNRRXDC-HKUYNNGSSA-N 1 1 417.598 2.974 20 0 HFADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCc2ccn(-c3ccccc3)n2)C1 ZINC000805636714 1079190202 /nfs/dbraw/zinc/19/02/02/1079190202.db2.gz AEZUNRZWDHTDEM-GOSISDBHSA-N 1 1 411.550 2.505 20 0 HFADMO O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001130302053 1079194230 /nfs/dbraw/zinc/19/42/30/1079194230.db2.gz VVANAWNHQFODQA-NHCUHLMSSA-N 1 1 419.591 2.537 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)cc1 ZINC000747263016 1079200625 /nfs/dbraw/zinc/20/06/25/1079200625.db2.gz JMRCTBUFZHDPOL-BEBFYNPSSA-N 1 1 418.515 2.890 20 0 HFADMO CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)CC1 ZINC000805763593 1079264645 /nfs/dbraw/zinc/26/46/45/1079264645.db2.gz MGKHQWZYFWUMGB-LJQANCHMSA-N 1 1 410.603 2.745 20 0 HFADMO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000805762778 1079265112 /nfs/dbraw/zinc/26/51/12/1079265112.db2.gz UFBHFPGYPAOSFG-OAHLLOKOSA-N 1 1 424.929 2.710 20 0 HFADMO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000805762212 1079264060 /nfs/dbraw/zinc/26/40/60/1079264060.db2.gz FOPGYKCRWWPVLJ-MOPGFXCFSA-N 1 1 402.539 2.957 20 0 HFADMO COC(=O)N1CCC(CNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000805832174 1079272410 /nfs/dbraw/zinc/27/24/10/1079272410.db2.gz AAUHHKVQNMRRNX-FQEVSTJZSA-N 1 1 402.539 2.628 20 0 HFADMO C[C@@]1(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001130393709 1079273900 /nfs/dbraw/zinc/27/39/00/1079273900.db2.gz VHBBPWSXZKUMMS-HSZRJFAPSA-N 1 1 406.461 2.766 20 0 HFADMO CNC(=O)OC[C@H]1CCCC[N@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000805827500 1079297626 /nfs/dbraw/zinc/29/76/26/1079297626.db2.gz KXFXCTVMFBGVOV-CABCVRRESA-N 1 1 419.291 2.538 20 0 HFADMO CC[N@@H+](Cc1ccc(C(=O)Oc2ccc(C[C@H]3NC(=O)NC3=O)cc2)cc1)C(C)C ZINC000805876576 1079317334 /nfs/dbraw/zinc/31/73/34/1079317334.db2.gz QCPHDMCRFBCMNX-HXUWFJFHSA-N 1 1 409.486 2.887 20 0 HFADMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000747275949 1079328177 /nfs/dbraw/zinc/32/81/77/1079328177.db2.gz RWJFDWBSDSPHKK-UHFFFAOYSA-N 1 1 401.492 2.941 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(Cl)cc1Cl ZINC000747276271 1079340135 /nfs/dbraw/zinc/34/01/35/1079340135.db2.gz FGTONUNPJVAWRM-IINYFYTJSA-N 1 1 409.335 2.741 20 0 HFADMO 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COC(=O)CC[C@@H]1CC[C@H](C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)O1 ZINC001130459009 1079383050 /nfs/dbraw/zinc/38/30/50/1079383050.db2.gz YJEUXMVRAQZUPE-OAGDOXAWSA-N 1 1 402.535 2.997 20 0 HFADMO COC(=O)c1cc2c(-n3ccc(=NC(=O)C4CCC([C@@H](C)[NH3+])CC4)cc3)[nH]ccc-2n1 ZINC001170496097 1079395196 /nfs/dbraw/zinc/39/51/96/1079395196.db2.gz KHTLIARBMZGLCN-QQFBHYJXSA-N 1 1 421.501 2.721 20 0 HFADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000747307365 1079454077 /nfs/dbraw/zinc/45/40/77/1079454077.db2.gz GPAXABXEKQFBIQ-WOJBJXKFSA-N 1 1 424.545 2.628 20 0 HFADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@H]3CCc4ccccc4NC3=O)cc2)C[C@@H](C)O1 ZINC001130541080 1079461611 /nfs/dbraw/zinc/46/16/11/1079461611.db2.gz TYFJUXCIAFUUOZ-DRSNIGMVSA-N 1 1 407.514 2.979 20 0 HFADMO COc1ccc(OC)c(CC(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001130528786 1079465318 /nfs/dbraw/zinc/46/53/18/1079465318.db2.gz PMNKGOXQYLZSOK-GGAORHGYSA-N 1 1 410.514 2.748 20 0 HFADMO C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)[C@H](Cc2ccccc2)C1 ZINC001130550764 1079487264 /nfs/dbraw/zinc/48/72/64/1079487264.db2.gz RROKABBGHVUMRH-ZWKOTPCHSA-N 1 1 413.468 2.703 20 0 HFADMO C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)[C@H](Cc2ccccc2)C1 ZINC001130550764 1079487268 /nfs/dbraw/zinc/48/72/68/1079487268.db2.gz RROKABBGHVUMRH-ZWKOTPCHSA-N 1 1 413.468 2.703 20 0 HFADMO C[N@@H+]1CCN(C(=O)CCC(=O)N2CCOc3ccccc32)[C@H](Cc2ccccc2)C1 ZINC001130550940 1079487765 /nfs/dbraw/zinc/48/77/65/1079487765.db2.gz UCERCABZNPEQRB-HXUWFJFHSA-N 1 1 407.514 2.578 20 0 HFADMO C[N@H+]1CCN(C(=O)CCC(=O)N2CCOc3ccccc32)[C@H](Cc2ccccc2)C1 ZINC001130550940 1079487767 /nfs/dbraw/zinc/48/77/67/1079487767.db2.gz UCERCABZNPEQRB-HXUWFJFHSA-N 1 1 407.514 2.578 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)[nH]n2)C1 ZINC000787333760 1076745629 /nfs/dbraw/zinc/74/56/29/1076745629.db2.gz BEGAIKSKRNBEEU-IAGOWNOFSA-N 1 1 417.554 2.835 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ccc(S(=O)(=O)N(C)C)o1 ZINC000787299865 1076748311 /nfs/dbraw/zinc/74/83/11/1076748311.db2.gz KTUOYQWXYNCOEW-LFUKPOHLSA-N 1 1 405.564 2.776 20 0 HFADMO NC(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)C1 ZINC000746675054 1076749221 /nfs/dbraw/zinc/74/92/21/1076749221.db2.gz KOVREZBAXSVEER-HNNXBMFYSA-N 1 1 412.465 2.604 20 0 HFADMO NC(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)C1 ZINC000746675054 1076749231 /nfs/dbraw/zinc/74/92/31/1076749231.db2.gz KOVREZBAXSVEER-HNNXBMFYSA-N 1 1 412.465 2.604 20 0 HFADMO Cc1ccc(Br)nc1C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000787303095 1076749973 /nfs/dbraw/zinc/74/99/73/1076749973.db2.gz JPADPQLFFHMEFP-HXUWFJFHSA-N 1 1 418.335 2.862 20 0 HFADMO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000787313486 1076759055 /nfs/dbraw/zinc/75/90/55/1076759055.db2.gz ZLWZLEWABJBILU-UXHICEINSA-N 1 1 421.900 2.579 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC1CCC(O)(c2ccccc2)CC1 ZINC000787315819 1076759815 /nfs/dbraw/zinc/75/98/15/1076759815.db2.gz XGWUEIOXOZZUCC-TWEIKEKHSA-N 1 1 401.551 2.712 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000787326649 1076769277 /nfs/dbraw/zinc/76/92/77/1076769277.db2.gz QBTUGEYEIIGQKP-QZTJIDSGSA-N 1 1 424.586 2.671 20 0 HFADMO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)CC(=O)NC1CCC2(CC1)OCCO2 ZINC000787342025 1076785776 /nfs/dbraw/zinc/78/57/76/1076785776.db2.gz LSOVIMJEQFUTPE-UHFFFAOYSA-N 1 1 416.440 2.818 20 0 HFADMO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)CC(=O)NC1CCC2(CC1)OCCO2 ZINC000787342025 1076785785 /nfs/dbraw/zinc/78/57/85/1076785785.db2.gz LSOVIMJEQFUTPE-UHFFFAOYSA-N 1 1 416.440 2.818 20 0 HFADMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787388775 1076804954 /nfs/dbraw/zinc/80/49/54/1076804954.db2.gz ZBMOKNBBCHGPTP-IIDMSEBBSA-N 1 1 405.543 2.546 20 0 HFADMO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787388775 1076804959 /nfs/dbraw/zinc/80/49/59/1076804959.db2.gz ZBMOKNBBCHGPTP-IIDMSEBBSA-N 1 1 405.543 2.546 20 0 HFADMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787388775 1076804962 /nfs/dbraw/zinc/80/49/62/1076804962.db2.gz ZBMOKNBBCHGPTP-IIDMSEBBSA-N 1 1 405.543 2.546 20 0 HFADMO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787396236 1076807026 /nfs/dbraw/zinc/80/70/26/1076807026.db2.gz YAGYDGQOAZYVGU-IAGOWNOFSA-N 1 1 419.570 2.938 20 0 HFADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@]2(Cc3ccccc3)CCN(C)C2=O)CC1 ZINC001170073172 1076815108 /nfs/dbraw/zinc/81/51/08/1076815108.db2.gz SGNHZQNKAIUSEO-CPJSRVTESA-N 1 1 405.542 2.983 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)cn1 ZINC000787488412 1076823159 /nfs/dbraw/zinc/82/31/59/1076823159.db2.gz XAWNDHHYHWJXEI-NRFANRHFSA-N 1 1 421.476 2.989 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCCC(C)(C)c2ccccc2)cn1 ZINC000787488378 1076823193 /nfs/dbraw/zinc/82/31/93/1076823193.db2.gz WNIMCLFYJDQBCZ-UHFFFAOYSA-N 1 1 405.502 2.676 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@H]2Cc2ccc(C)cc2)cn1 ZINC000787476144 1076836245 /nfs/dbraw/zinc/83/62/45/1076836245.db2.gz DUEFPFHCMMVGGA-NRFANRHFSA-N 1 1 417.513 2.734 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(Cl)s2)cn1 ZINC000787477859 1076837626 /nfs/dbraw/zinc/83/76/26/1076837626.db2.gz MWYBHFBHKUSCLS-UHFFFAOYSA-N 1 1 403.895 2.565 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H]2c3cccc(F)c3CC[C@@H]2C)cn1 ZINC000787480877 1076839295 /nfs/dbraw/zinc/83/92/95/1076839295.db2.gz GUSPOHAKOUPQPP-LHSJRXKWSA-N 1 1 421.476 2.771 20 0 HFADMO CN(C(=O)[C@H]1CCCN1C1CC1)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000787480994 1076839321 /nfs/dbraw/zinc/83/93/21/1076839321.db2.gz PCDZGVDVPSWTPW-FCHUYYIVSA-N 1 1 410.562 2.519 20 0 HFADMO CN(C(=O)[C@H]1CCCN1C1CC1)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1 ZINC000787480994 1076839325 /nfs/dbraw/zinc/83/93/25/1076839325.db2.gz PCDZGVDVPSWTPW-FCHUYYIVSA-N 1 1 410.562 2.519 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[C@H](Cc3ccccc3)[C@H]2C)cn1 ZINC000787480318 1076839775 /nfs/dbraw/zinc/83/97/75/1076839775.db2.gz ZOIBFQLEAOSILA-DYESRHJHSA-N 1 1 417.513 2.672 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)cn1 ZINC000787484017 1076841510 /nfs/dbraw/zinc/84/15/10/1076841510.db2.gz IPMKEYINJUYKMW-MGPUTAFESA-N 1 1 421.476 2.941 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H](C)c2nc3ccccc3s2)cn1 ZINC000787484005 1076841603 /nfs/dbraw/zinc/84/16/03/1076841603.db2.gz ILSMKXNNQXQVTL-CYBMUJFWSA-N 1 1 420.498 2.679 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@H](C)C[C@H]2c2cccc(F)c2)cn1 ZINC000787484018 1076841684 /nfs/dbraw/zinc/84/16/84/1076841684.db2.gz IPMKEYINJUYKMW-QRWLVFNGSA-N 1 1 421.476 2.941 20 0 HFADMO Cc1oc2ccccc2c1CNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000787483290 1076842205 /nfs/dbraw/zinc/84/22/05/1076842205.db2.gz ZDZBQCMWBMITRE-UHFFFAOYSA-N 1 1 403.442 2.563 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H]2c3ccccc3CC[C@H]2C)cn1 ZINC000787484701 1076842784 /nfs/dbraw/zinc/84/27/84/1076842784.db2.gz FTIRZUKRVBOAKS-VFNWGFHPSA-N 1 1 403.486 2.632 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(Cc2ccc(C)c(C)c2)C2CC2)cn1 ZINC000787484681 1076842810 /nfs/dbraw/zinc/84/28/10/1076842810.db2.gz LAGKBYSZJXBNKV-UHFFFAOYSA-N 1 1 417.513 3.000 20 0 HFADMO CCCN(Cc1ccc(F)cc1)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000787485515 1076843401 /nfs/dbraw/zinc/84/34/01/1076843401.db2.gz KEWABUNISOARBJ-UHFFFAOYSA-N 1 1 409.465 2.770 20 0 HFADMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1cc(Br)cnc1Cl ZINC000746691035 1076859718 /nfs/dbraw/zinc/85/97/18/1076859718.db2.gz QKJONWALJHXYTJ-UHFFFAOYSA-N 1 1 407.721 2.713 20 0 HFADMO COC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)c1Cl ZINC001170075544 1076876960 /nfs/dbraw/zinc/87/69/60/1076876960.db2.gz SCHBMWPJUARCCI-JKSUJKDBSA-N 1 1 410.898 2.996 20 0 HFADMO COC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)c1Cl ZINC001170075544 1076876964 /nfs/dbraw/zinc/87/69/64/1076876964.db2.gz SCHBMWPJUARCCI-JKSUJKDBSA-N 1 1 410.898 2.996 20 0 HFADMO CC[C@H](CNC(=O)C(=O)N(C)CCc1ccccc1F)[N@H+]1CCc2ccccc2C1 ZINC000787631218 1076883922 /nfs/dbraw/zinc/88/39/22/1076883922.db2.gz IYGITOZJORTJMD-OAQYLSRUSA-N 1 1 411.521 2.780 20 0 HFADMO C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3C(=O)/C=C/c3ccc(Cl)cc3)C[C@H]2C1 ZINC000787633408 1076884873 /nfs/dbraw/zinc/88/48/73/1076884873.db2.gz JGTFOFSFRMJPPF-CQVXSESNSA-N 1 1 401.938 2.754 20 0 HFADMO CC[C@H](CNC(=O)C(=O)N1CCC[C@H]1c1cc(C)on1)[N@H+]1CCc2ccccc2C1 ZINC000787632926 1076884916 /nfs/dbraw/zinc/88/49/16/1076884916.db2.gz UNVUSPDMUAETGJ-CTNGQTDRSA-N 1 1 410.518 2.600 20 0 HFADMO COC[C@H](NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1)c1ccc(Cl)cc1 ZINC000787604219 1076888883 /nfs/dbraw/zinc/88/88/83/1076888883.db2.gz SPQUXICEBRXSDO-KRWDZBQOSA-N 1 1 413.865 2.672 20 0 HFADMO Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@H](c3ccsc3)[NH+](C)C)C2)cc1 ZINC000787654848 1076899470 /nfs/dbraw/zinc/89/94/70/1076899470.db2.gz PVDARPVZVSWOFK-UYAOXDASSA-N 1 1 414.575 2.561 20 0 HFADMO Cc1ccc(N2CCCN(C(=O)C(=O)NC[C@H](c3ccsc3)[NH+](C)C)CC2)cc1 ZINC000787657953 1076901193 /nfs/dbraw/zinc/90/11/93/1076901193.db2.gz ZLJYWEOLZYRCQG-HXUWFJFHSA-N 1 1 414.575 2.514 20 0 HFADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000787670308 1076905493 /nfs/dbraw/zinc/90/54/93/1076905493.db2.gz JCEDOTZIVSYTBC-KRWDZBQOSA-N 1 1 409.571 2.735 20 0 HFADMO C[N@@H+](CCCNC(=O)C(=O)N1CCC[C@H]1C[C@H](O)c1cccs1)C1CCCCC1 ZINC000787686783 1076911840 /nfs/dbraw/zinc/91/18/40/1076911840.db2.gz GOXLABJCPVUPCI-OALUTQOASA-N 1 1 421.607 2.933 20 0 HFADMO CC[N@H+](CC(=O)Nc1cccc(OC)c1)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000787710638 1076922238 /nfs/dbraw/zinc/92/22/38/1076922238.db2.gz MTYYJSJIOUMIRU-AVRDEDQJSA-N 1 1 421.538 2.716 20 0 HFADMO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000787710638 1076922241 /nfs/dbraw/zinc/92/22/41/1076922241.db2.gz MTYYJSJIOUMIRU-AVRDEDQJSA-N 1 1 421.538 2.716 20 0 HFADMO Cc1nc(C[NH+]2CCC(C(=O)N[C@@H](C)[C@H](O)c3ccc4c(c3)OCO4)CC2)cs1 ZINC000787750500 1076926063 /nfs/dbraw/zinc/92/60/63/1076926063.db2.gz ZSXQPZQCZRXMIH-RBZFPXEDSA-N 1 1 417.531 2.631 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H]([NH+]2CCN(c3cc(F)ccc3F)CC2)C1 ZINC000787730855 1076933823 /nfs/dbraw/zinc/93/38/23/1076933823.db2.gz PDRVGMCZRLTVDO-NQIIRXRSSA-N 1 1 411.493 2.847 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)C1 ZINC000787732127 1076934379 /nfs/dbraw/zinc/93/43/79/1076934379.db2.gz VAQSKGUIPGLIQG-VJBMBRPKSA-N 1 1 402.535 2.921 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([N@H+]2CCO[C@@]3(CCc4ccccc43)C2)C1 ZINC000787732127 1076934383 /nfs/dbraw/zinc/93/43/83/1076934383.db2.gz VAQSKGUIPGLIQG-VJBMBRPKSA-N 1 1 402.535 2.921 20 0 HFADMO Cc1ccc(N2CCCN(C(=O)C(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000787908002 1076990436 /nfs/dbraw/zinc/99/04/36/1076990436.db2.gz FWWIMHUNQCZVME-NRFANRHFSA-N 1 1 414.594 2.662 20 0 HFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)C1 ZINC000787909777 1076991813 /nfs/dbraw/zinc/99/18/13/1076991813.db2.gz JQSVPBLZVSFAHS-IYWMVGAKSA-N 1 1 419.566 2.568 20 0 HFADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000787901301 1077004583 /nfs/dbraw/zinc/00/45/83/1077004583.db2.gz BMMGHQJRHBGLHH-QRVBRYPASA-N 1 1 421.607 2.933 20 0 HFADMO O=C(C[N@H+](Cc1ccc(F)cc1)C1CCOCC1)NC1CCC2(CC1)OCCO2 ZINC000787997057 1077023228 /nfs/dbraw/zinc/02/32/28/1077023228.db2.gz WFPHTTUJCKXRFE-UHFFFAOYSA-N 1 1 406.498 2.609 20 0 HFADMO CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788002801 1077025265 /nfs/dbraw/zinc/02/52/65/1077025265.db2.gz ARCCXKQVCWISLC-UHFFFAOYSA-N 1 1 419.566 2.775 20 0 HFADMO CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788004574 1077025879 /nfs/dbraw/zinc/02/58/79/1077025879.db2.gz WLZQJVYBYCGDCG-IBGZPJMESA-N 1 1 419.566 2.948 20 0 HFADMO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788004477 1077025908 /nfs/dbraw/zinc/02/59/08/1077025908.db2.gz ULCBRCBISMBYBE-MRXNPFEDSA-N 1 1 423.529 2.524 20 0 HFADMO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1)c1ccc(F)cc1 ZINC000788004128 1077026259 /nfs/dbraw/zinc/02/62/59/1077026259.db2.gz UDRAXARJKUNMSA-HOTGVXAUSA-N 1 1 423.529 2.743 20 0 HFADMO Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000788005492 1077026511 /nfs/dbraw/zinc/02/65/11/1077026511.db2.gz ZFAAPLVDGNGNKB-UHFFFAOYSA-N 1 1 418.501 2.731 20 0 HFADMO COc1ccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1NC(=O)OC(C)(C)C ZINC000788036545 1077035954 /nfs/dbraw/zinc/03/59/54/1077035954.db2.gz JWUXEVHLKIUTGN-GJZGRUSLSA-N 1 1 422.526 2.961 20 0 HFADMO COc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)cnc1Br ZINC000788172785 1077074545 /nfs/dbraw/zinc/07/45/45/1077074545.db2.gz QBHUUWOIMHYRCD-UHFFFAOYSA-N 1 1 402.252 2.672 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000788302499 1077092199 /nfs/dbraw/zinc/09/21/99/1077092199.db2.gz MFBSUZMJQZHPQO-HNNXBMFYSA-N 1 1 408.289 2.993 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@](N)(c2cccc(F)c2)C(F)(F)F)cn1 ZINC000788287909 1077098451 /nfs/dbraw/zinc/09/84/51/1077098451.db2.gz KYHVUXACSFOGFI-GOSISDBHSA-N 1 1 407.371 2.748 20 0 HFADMO Cn1cc(-c2ccc(=O)n(CN3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)n2)cn1 ZINC000788367372 1077129209 /nfs/dbraw/zinc/12/92/09/1077129209.db2.gz GGQJXRYBHFAZTQ-UHFFFAOYSA-N 1 1 418.545 2.589 20 0 HFADMO COc1cccc([C@H]2[C@H](NC(=O)C(=O)NCCSC(C)(C)C)CC[N@@H+]2C2CC2)c1 ZINC000788378423 1077135032 /nfs/dbraw/zinc/13/50/32/1077135032.db2.gz FQXCQIXWEWXGJV-MOPGFXCFSA-N 1 1 419.591 2.737 20 0 HFADMO COc1cccc([C@H]2[C@H](NC(=O)C(=O)NCCSC(C)(C)C)CC[N@H+]2C2CC2)c1 ZINC000788378423 1077135033 /nfs/dbraw/zinc/13/50/33/1077135033.db2.gz FQXCQIXWEWXGJV-MOPGFXCFSA-N 1 1 419.591 2.737 20 0 HFADMO COc1cc2c(cc1OC)C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC2 ZINC000788475251 1077171311 /nfs/dbraw/zinc/17/13/11/1077171311.db2.gz YUANXSHZTMWHAM-UHFFFAOYSA-N 1 1 405.539 2.615 20 0 HFADMO CCN1CCN(c2ccc(C[NH2+][C@H](C)C3CN(C(=O)OC(C)(C)C)C3)cn2)CC1 ZINC000788538937 1077193386 /nfs/dbraw/zinc/19/33/86/1077193386.db2.gz IULYBIZXPFGOLV-QGZVFWFLSA-N 1 1 403.571 2.569 20 0 HFADMO O=C1CCc2cc(OC[C@H](O)C[NH2+][C@@H]3COCc4cccc(Cl)c43)ccc2N1 ZINC000788559967 1077201217 /nfs/dbraw/zinc/20/12/17/1077201217.db2.gz ABUJVNRETSHRBV-DNVCBOLYSA-N 1 1 402.878 2.826 20 0 HFADMO C[C@@H](Oc1cccc(C=O)c1)C(=O)O[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000746752513 1077220390 /nfs/dbraw/zinc/22/03/90/1077220390.db2.gz KCJPCQNTIRTMNI-UEXGIBASSA-N 1 1 424.497 2.589 20 0 HFADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000788648863 1077225053 /nfs/dbraw/zinc/22/50/53/1077225053.db2.gz NOQXKSBAPWKSBK-XHSDSOJGSA-N 1 1 410.559 2.529 20 0 HFADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000788653301 1077226768 /nfs/dbraw/zinc/22/67/68/1077226768.db2.gz FGZPFSQGBZTWBZ-UIFIKXQLSA-N 1 1 424.545 2.815 20 0 HFADMO COCCNS(=O)(=O)c1ccc(C[NH2+][C@@H]2COCc3cccc(Cl)c32)cc1 ZINC000788641829 1077244105 /nfs/dbraw/zinc/24/41/05/1077244105.db2.gz ALZATTQMVOLRFI-GOSISDBHSA-N 1 1 410.923 2.626 20 0 HFADMO Cc1nnnn1/C(=C/c1ccccc1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000790945532 1077250306 /nfs/dbraw/zinc/25/03/06/1077250306.db2.gz GNORLALJHHOVMI-OQKWZONESA-N 1 1 402.502 2.714 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000790967871 1077258030 /nfs/dbraw/zinc/25/80/30/1077258030.db2.gz KOQZUSJPVGHEMD-GFCCVEGCSA-N 1 1 417.735 2.673 20 0 HFADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000788666401 1077259863 /nfs/dbraw/zinc/25/98/63/1077259863.db2.gz ZIAFWDZVFRQKTG-ANULTFPQSA-N 1 1 422.529 2.664 20 0 HFADMO CCCCOC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000790976234 1077268788 /nfs/dbraw/zinc/26/87/88/1077268788.db2.gz YYZJGVNQDJQGRK-GOSISDBHSA-N 1 1 403.523 2.819 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000788777740 1077298525 /nfs/dbraw/zinc/29/85/25/1077298525.db2.gz LORQLLKQQVDNQV-OWCLPIDISA-N 1 1 413.349 2.735 20 0 HFADMO CC(C)(C)OC(=O)NC/C=C/CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000791096982 1077299778 /nfs/dbraw/zinc/29/97/78/1077299778.db2.gz WRLZSLPKCGSLPT-SNAWJCMRSA-N 1 1 418.538 2.764 20 0 HFADMO CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1cnn(C)c1 ZINC000791148096 1077308633 /nfs/dbraw/zinc/30/86/33/1077308633.db2.gz ZXUFUUHSTGQQLF-DLBZAZTESA-N 1 1 407.559 2.565 20 0 HFADMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2sc(S(N)(=O)=O)c(C)c2Cl)c1 ZINC000791207775 1077343729 /nfs/dbraw/zinc/34/37/29/1077343729.db2.gz CSWJDNOMESICHN-UHFFFAOYSA-N 1 1 415.968 2.739 20 0 HFADMO O=C(CSc1nnnn1C1CC1)N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000791274312 1077356191 /nfs/dbraw/zinc/35/61/91/1077356191.db2.gz QNDGHNBYZFWGQV-ZDUSSCGKSA-N 1 1 401.540 2.545 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)NCc2ccc(Br)cc2F)C[C@H](C)O1 ZINC000788996318 1077376320 /nfs/dbraw/zinc/37/63/20/1077376320.db2.gz BGVIBOCPRODGRV-BETUJISGSA-N 1 1 402.308 2.839 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)NCc2ccc(Br)cc2F)C[C@H](C)O1 ZINC000788996318 1077376326 /nfs/dbraw/zinc/37/63/26/1077376326.db2.gz BGVIBOCPRODGRV-BETUJISGSA-N 1 1 402.308 2.839 20 0 HFADMO CC[C@H](CNC(=O)C(=O)Nc1ccnn1C1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000746780463 1077378498 /nfs/dbraw/zinc/37/84/98/1077378498.db2.gz FOZJRXYZCVOURL-LJQANCHMSA-N 1 1 409.534 2.890 20 0 HFADMO COC(=O)[C@H](C)C[N@@H+](CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)C1CC1 ZINC000772728673 1077380378 /nfs/dbraw/zinc/38/03/78/1077380378.db2.gz IHPBRHPUDWVRRI-BRWVUGGUSA-N 1 1 403.523 2.512 20 0 HFADMO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000789064972 1077395725 /nfs/dbraw/zinc/39/57/25/1077395725.db2.gz LSFPGCFDAMDXHC-KRWDZBQOSA-N 1 1 414.591 2.678 20 0 HFADMO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000789064972 1077395731 /nfs/dbraw/zinc/39/57/31/1077395731.db2.gz LSFPGCFDAMDXHC-KRWDZBQOSA-N 1 1 414.591 2.678 20 0 HFADMO O=C(Cc1csc(NC(=O)Cc2cccs2)n1)NCc1c[nH+]c2n1CCCC2 ZINC000791389923 1077396658 /nfs/dbraw/zinc/39/66/58/1077396658.db2.gz MJGLAYMLFPOKAW-UHFFFAOYSA-N 1 1 415.544 2.778 20 0 HFADMO Cc1nc(CC2CC2)oc1C(=O)OCC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000789137124 1077409803 /nfs/dbraw/zinc/40/98/03/1077409803.db2.gz JUBKXTXPOLRCFY-QGZVFWFLSA-N 1 1 411.502 2.998 20 0 HFADMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](CCS(=O)(=O)Cc3ccccc3)C2)nc1 ZINC000791477419 1077418987 /nfs/dbraw/zinc/41/89/87/1077418987.db2.gz NODPLLOUNXQMNJ-IBGZPJMESA-N 1 1 401.532 2.656 20 0 HFADMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](CCS(=O)(=O)Cc3ccccc3)C2)nc1 ZINC000791477419 1077418992 /nfs/dbraw/zinc/41/89/92/1077418992.db2.gz NODPLLOUNXQMNJ-IBGZPJMESA-N 1 1 401.532 2.656 20 0 HFADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000772731064 1077425003 /nfs/dbraw/zinc/42/50/03/1077425003.db2.gz AWGXXTKZIAOIEE-BLLLJJGKSA-N 1 1 403.306 2.513 20 0 HFADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)C[C@@H](C)O1 ZINC000791489466 1077429279 /nfs/dbraw/zinc/42/92/79/1077429279.db2.gz GRMLXNNMVXBGCH-HZPDHXFCSA-N 1 1 420.554 2.975 20 0 HFADMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H](O)c3cccc(F)c3)C2)cc(OC)c1 ZINC000772775050 1077444529 /nfs/dbraw/zinc/44/45/29/1077444529.db2.gz RCEIBWQGMGDXGJ-WIYYLYMNSA-N 1 1 402.466 2.657 20 0 HFADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)C[C@@H](O)c3cccc(F)c3)C2)cc(OC)c1 ZINC000772775050 1077444532 /nfs/dbraw/zinc/44/45/32/1077444532.db2.gz RCEIBWQGMGDXGJ-WIYYLYMNSA-N 1 1 402.466 2.657 20 0 HFADMO CN1CC[NH+](Cc2ccc(CNC(=S)NCCc3ccc(F)cc3)cc2)CC1 ZINC000789197535 1077456832 /nfs/dbraw/zinc/45/68/32/1077456832.db2.gz VKUDSWASBKJHAP-UHFFFAOYSA-N 1 1 400.567 2.780 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000789246548 1077470955 /nfs/dbraw/zinc/47/09/55/1077470955.db2.gz UGIRJYPQYAYNQV-QZTJIDSGSA-N 1 1 418.538 2.847 20 0 HFADMO C[C@@H]1C[C@H](NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC000789251181 1077473969 /nfs/dbraw/zinc/47/39/69/1077473969.db2.gz QCKPPDBFDFYLCC-IAGOWNOFSA-N 1 1 412.575 2.527 20 0 HFADMO C[C@@H]1C[C@H](NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC000789251181 1077473970 /nfs/dbraw/zinc/47/39/70/1077473970.db2.gz QCKPPDBFDFYLCC-IAGOWNOFSA-N 1 1 412.575 2.527 20 0 HFADMO C[NH+]1CCC(CNC(=O)c2nc(Br)ccc2F)(N2CCCCC2)CC1 ZINC000791610120 1077485185 /nfs/dbraw/zinc/48/51/85/1077485185.db2.gz CRRASUOQTLZTEM-UHFFFAOYSA-N 1 1 413.335 2.663 20 0 HFADMO CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)nc1 ZINC000791606896 1077503365 /nfs/dbraw/zinc/50/33/65/1077503365.db2.gz WJBPWIQLRPEIOC-IBGZPJMESA-N 1 1 418.538 2.684 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000791641816 1077506263 /nfs/dbraw/zinc/50/62/63/1077506263.db2.gz LBDZZSJZFPLPAO-JPYJTQIMSA-N 1 1 423.513 2.930 20 0 HFADMO COc1ncccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001086600396 1077506606 /nfs/dbraw/zinc/50/66/06/1077506606.db2.gz QKBPUQHRXNLIEJ-UUGMPZBJSA-N 1 1 419.525 2.598 20 0 HFADMO Cc1ccncc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001086600453 1077506970 /nfs/dbraw/zinc/50/69/70/1077506970.db2.gz UMNXAUKKUZDNDO-RBKMHILSSA-N 1 1 403.526 2.898 20 0 HFADMO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000791648106 1077510838 /nfs/dbraw/zinc/51/08/38/1077510838.db2.gz QOVYIGJBBPIBMU-RYRKJORJSA-N 1 1 409.324 2.512 20 0 HFADMO COC(=O)c1cccc(NC(=O)C[NH+]2CCC(COc3ccc(Cl)nc3)CC2)n1 ZINC000789314968 1077510907 /nfs/dbraw/zinc/51/09/07/1077510907.db2.gz GRQVAGFBPCCLLX-UHFFFAOYSA-N 1 1 418.881 2.646 20 0 HFADMO CCOc1nc(C)ccc1C(=O)OCC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000791653370 1077512678 /nfs/dbraw/zinc/51/26/78/1077512678.db2.gz RRZJJDRPYNNZSI-UHFFFAOYSA-N 1 1 411.502 2.598 20 0 HFADMO CC[C@@H](C)n1ncc(C(=O)OCC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)c1C ZINC000791665897 1077518528 /nfs/dbraw/zinc/51/85/28/1077518528.db2.gz VEJYEZNCFGVHCH-GOSISDBHSA-N 1 1 412.534 2.972 20 0 HFADMO CSc1ccc(N2C[C@H](C(=O)OCCC[NH+]3CCN(C(C)C)CC3)CC2=O)cc1 ZINC000791674758 1077524894 /nfs/dbraw/zinc/52/48/94/1077524894.db2.gz KJDVJFYEXXVDPQ-GOSISDBHSA-N 1 1 419.591 2.721 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)C2)c1 ZINC000791699349 1077532299 /nfs/dbraw/zinc/53/22/99/1077532299.db2.gz GCBGGANKEJNWSC-WCJKSRRJSA-N 1 1 415.534 2.966 20 0 HFADMO Cc1ccc(C(=O)N2CCC[C@H](C(=O)OCCC[NH+]3CCN(C(C)C)CC3)C2)cc1 ZINC000791704215 1077533466 /nfs/dbraw/zinc/53/34/66/1077533466.db2.gz UHBHHDAKXQYSDJ-QFIPXVFZSA-N 1 1 415.578 2.807 20 0 HFADMO CC[C@H](CNC(=O)C(=O)Nc1ccc(Cl)nc1C)[N@H+]1CCc2ccccc2C1 ZINC000789360947 1077537293 /nfs/dbraw/zinc/53/72/93/1077537293.db2.gz BCNJYIKYPGJLGD-QGZVFWFLSA-N 1 1 400.910 2.935 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)c2cnn3c2nccc3-c2ccccc2)CC1 ZINC000791716809 1077537607 /nfs/dbraw/zinc/53/76/07/1077537607.db2.gz HJFHIRRWPGJHNH-UHFFFAOYSA-N 1 1 407.518 2.969 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000789361685 1077538233 /nfs/dbraw/zinc/53/82/33/1077538233.db2.gz CALLSRJZZICHTI-HNNXBMFYSA-N 1 1 400.479 2.501 20 0 HFADMO C[C@@H](NC(=O)c1cccnc1S(=O)(=O)C(F)(F)F)[C@@H](c1ccccc1)[NH+](C)C ZINC000791719605 1077539306 /nfs/dbraw/zinc/53/93/06/1077539306.db2.gz NRXHQWHHDQWADJ-DOMZBBRYSA-N 1 1 415.437 2.796 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC(=O)NCCOc1cccc(F)c1 ZINC000789367132 1077540421 /nfs/dbraw/zinc/54/04/21/1077540421.db2.gz UTFMJMFDQWWKLR-MRXNPFEDSA-N 1 1 415.465 2.970 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC(=O)NCCOc1cccc(F)c1 ZINC000789367132 1077540426 /nfs/dbraw/zinc/54/04/26/1077540426.db2.gz UTFMJMFDQWWKLR-MRXNPFEDSA-N 1 1 415.465 2.970 20 0 HFADMO Cc1cc(N2CCC[C@H](OC(=O)[C@H]3CC34CN(C(=O)OC(C)(C)C)C4)C2)nc(C)[nH+]1 ZINC000789368532 1077540997 /nfs/dbraw/zinc/54/09/97/1077540997.db2.gz CUFRZJHTNWLUAM-DLBZAZTESA-N 1 1 416.522 2.862 20 0 HFADMO Cc1nnnn1/C(=C/c1ccccc1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000791821839 1077565057 /nfs/dbraw/zinc/56/50/57/1077565057.db2.gz FKRVWICLZVEQLZ-PIUNUONSSA-N 1 1 402.502 2.618 20 0 HFADMO Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000791829126 1077576615 /nfs/dbraw/zinc/57/66/15/1077576615.db2.gz VFMBEPPFVHMJOX-CWGWECIMSA-N 1 1 420.492 2.757 20 0 HFADMO C[C@H](CCNC(=O)C(=O)Nc1ccc(N2CCOC2=O)cc1)[N@@H+](C)Cc1ccccc1 ZINC000746813792 1077578562 /nfs/dbraw/zinc/57/85/62/1077578562.db2.gz ZKCNPKHTTMISIX-QGZVFWFLSA-N 1 1 424.501 2.609 20 0 HFADMO Cc1c(C(=O)OCCC[NH+]2CCN(C(C)C)CC2)nnn1-c1ccccc1Cl ZINC000791842116 1077581925 /nfs/dbraw/zinc/58/19/25/1077581925.db2.gz HUPZQHLQCFILAC-UHFFFAOYSA-N 1 1 405.930 2.802 20 0 HFADMO CN(C)S(=O)(=O)c1ccc2oc(=S)n(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCO3)c2c1 ZINC000789499098 1077596368 /nfs/dbraw/zinc/59/63/68/1077596368.db2.gz APPHENDZHJBPPA-ZBFHGGJFSA-N 1 1 411.549 2.815 20 0 HFADMO CN(C)S(=O)(=O)c1ccc2oc(=S)n(C[N@H+]3CCC[C@@H]3[C@@H]3CCCO3)c2c1 ZINC000789499098 1077596370 /nfs/dbraw/zinc/59/63/70/1077596370.db2.gz APPHENDZHJBPPA-ZBFHGGJFSA-N 1 1 411.549 2.815 20 0 HFADMO CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@]3(CO)CC(C)C)CC2)c(F)c1 ZINC000789512696 1077605328 /nfs/dbraw/zinc/60/53/28/1077605328.db2.gz AZTIWIVLBLRVKP-QHCPKHFHSA-N 1 1 419.541 2.550 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@@]2(C)CCCN2C(=O)c2ccccc2)CC1 ZINC000791912255 1077607635 /nfs/dbraw/zinc/60/76/35/1077607635.db2.gz NUKFHEDSPQHTPT-HSZRJFAPSA-N 1 1 401.551 2.641 20 0 HFADMO C[N@@H+](C[C@@H](O)COCc1ccccc1Cl)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789519194 1077613398 /nfs/dbraw/zinc/61/33/98/1077613398.db2.gz XOSQMLNUHLCPHT-TZIWHRDSSA-N 1 1 402.922 2.950 20 0 HFADMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000791986380 1077623837 /nfs/dbraw/zinc/62/38/37/1077623837.db2.gz QHSIYTKNBLEGAY-VCOUNFBDSA-N 1 1 417.509 2.648 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)C2(OCc3ccccc3)CCOCC2)CC1 ZINC000792054235 1077659914 /nfs/dbraw/zinc/65/99/14/1077659914.db2.gz ATNMXUYBNUTVEK-UHFFFAOYSA-N 1 1 404.551 2.712 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2ccc(-c3nnco3)cc2)CC1 ZINC000792057710 1077662888 /nfs/dbraw/zinc/66/28/88/1077662888.db2.gz IMNVNNGFOHHAIH-UHFFFAOYSA-N 1 1 401.467 2.618 20 0 HFADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792057279 1077663551 /nfs/dbraw/zinc/66/35/51/1077663551.db2.gz OUDRTCNDSVJNMP-IBGZPJMESA-N 1 1 410.603 2.700 20 0 HFADMO C[C@@H](CNC(=O)c1nc(Br)ccc1F)[NH+]1CCN(c2ccccc2)CC1 ZINC000792058520 1077664486 /nfs/dbraw/zinc/66/44/86/1077664486.db2.gz NTHPMKARNKXFTQ-AWEZNQCLSA-N 1 1 421.314 2.924 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)C2)c1 ZINC000792059142 1077665847 /nfs/dbraw/zinc/66/58/47/1077665847.db2.gz XINRGIFVCXADBY-VWKPWSFCSA-N 1 1 403.523 2.681 20 0 HFADMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000746830080 1077674441 /nfs/dbraw/zinc/67/44/41/1077674441.db2.gz YHIDJYJGLPOMLM-QGZVFWFLSA-N 1 1 422.545 2.567 20 0 HFADMO C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NCC(F)(F)c3ccccc3)cc2)CC1 ZINC000789614337 1077683698 /nfs/dbraw/zinc/68/36/98/1077683698.db2.gz OPNPEFMHQDBYRR-UHFFFAOYSA-N 1 1 416.472 2.675 20 0 HFADMO C[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1nc2ccccc2[nH]1 ZINC000792035163 1077686811 /nfs/dbraw/zinc/68/68/11/1077686811.db2.gz WQSNYCCAWMWIIX-HNNXBMFYSA-N 1 1 401.511 2.683 20 0 HFADMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000746834672 1077704859 /nfs/dbraw/zinc/70/48/59/1077704859.db2.gz UMSQVXNNIJAEEC-QGZVFWFLSA-N 1 1 405.539 2.638 20 0 HFADMO C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)C1 ZINC000789603281 1077705334 /nfs/dbraw/zinc/70/53/34/1077705334.db2.gz DPYQWXFJGPNNCX-PMPSAXMXSA-N 1 1 406.958 2.923 20 0 HFADMO Cc1cc(N2CCCC2)ccc1NC(=O)CO[NH+]=C(N)CCNC(=O)OC(C)(C)C ZINC000789643587 1077717045 /nfs/dbraw/zinc/71/70/45/1077717045.db2.gz FCTBYVSWPVBHRK-UHFFFAOYSA-N 1 1 419.526 2.947 20 0 HFADMO COc1ccc(Cl)cc1NC(=O)CO[NH+]=C(N)CCNC(=O)OC(C)(C)C ZINC000789651357 1077719702 /nfs/dbraw/zinc/71/97/02/1077719702.db2.gz GDRYGJIGOMUXNG-UHFFFAOYSA-N 1 1 400.863 2.700 20 0 HFADMO CC(C)(C)OC(=O)NCCC(N)=[NH+]OCC(=O)Nc1ccc(Br)cc1 ZINC000789654619 1077721642 /nfs/dbraw/zinc/72/16/42/1077721642.db2.gz VRWMOGHEJZWLEZ-UHFFFAOYSA-N 1 1 415.288 2.801 20 0 HFADMO Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000746846658 1077728289 /nfs/dbraw/zinc/72/82/89/1077728289.db2.gz DTWFTPGSOSZFBB-FOKNENJMSA-N 1 1 412.513 2.983 20 0 HFADMO COc1nc(Br)ccc1NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000789697727 1077733626 /nfs/dbraw/zinc/73/36/26/1077733626.db2.gz GKZKNWWSGQBIRR-KRWDZBQOSA-N 1 1 419.323 2.780 20 0 HFADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)C1 ZINC000746848676 1077736912 /nfs/dbraw/zinc/73/69/12/1077736912.db2.gz RGUIXWRTDJSONQ-XHSDSOJGSA-N 1 1 411.543 2.553 20 0 HFADMO COc1ccccc1O[C@H](C)CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792199832 1077742731 /nfs/dbraw/zinc/74/27/31/1077742731.db2.gz VOEITKKXUXPRNB-QGZVFWFLSA-N 1 1 421.538 2.522 20 0 HFADMO C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](c2ccccc2)CO1 ZINC000792206289 1077745817 /nfs/dbraw/zinc/74/58/17/1077745817.db2.gz FROJZVZOPPLIQU-UYAOXDASSA-N 1 1 417.550 2.918 20 0 HFADMO CN(Cc1cnn(-c2ccccc2)n1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792223954 1077749418 /nfs/dbraw/zinc/74/94/18/1077749418.db2.gz AVBOGVBKERBXCV-HXUWFJFHSA-N 1 1 404.518 2.931 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N[C@@H]2COc3c2cccc3Cl)CC1 ZINC000792223810 1077749526 /nfs/dbraw/zinc/74/95/26/1077749526.db2.gz QPFYPIJRDBXHIA-MRXNPFEDSA-N 1 1 409.914 2.833 20 0 HFADMO COc1cc(OC)cc([C@@H](O)CNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000792228141 1077753340 /nfs/dbraw/zinc/75/33/40/1077753340.db2.gz SJDDDNCPMXATDP-GCJKJVERSA-N 1 1 413.518 2.559 20 0 HFADMO C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792232307 1077756177 /nfs/dbraw/zinc/75/61/77/1077756177.db2.gz PBHBNVRACSEJKB-CABCVRRESA-N 1 1 402.520 2.963 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCc2csc(-c3ccco3)n2)CC1 ZINC000792233386 1077756427 /nfs/dbraw/zinc/75/64/27/1077756427.db2.gz RUEASGZGLBBARI-UHFFFAOYSA-N 1 1 420.535 2.962 20 0 HFADMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)c1nc(Br)ccc1F ZINC000792238254 1077759627 /nfs/dbraw/zinc/75/96/27/1077759627.db2.gz MVOYDFORYWMTRO-GDBMZVCRSA-N 1 1 422.298 2.596 20 0 HFADMO CN(C)c1ccc(NC(=O)CC[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000792242289 1077761856 /nfs/dbraw/zinc/76/18/56/1077761856.db2.gz QNHCPFCIPQAYAB-OALUTQOASA-N 1 1 403.548 2.967 20 0 HFADMO CN(C)c1ccc(NC(=O)CC[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000792242289 1077761861 /nfs/dbraw/zinc/76/18/61/1077761861.db2.gz QNHCPFCIPQAYAB-OALUTQOASA-N 1 1 403.548 2.967 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCc2c(F)c(F)cc(F)c2F)CC1 ZINC000792214544 1077768608 /nfs/dbraw/zinc/76/86/08/1077768608.db2.gz JDNDCJOFLWAGPP-UHFFFAOYSA-N 1 1 419.419 2.802 20 0 HFADMO Cn1nc(C(F)(F)F)c(CNc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)c1Cl ZINC000789769898 1077771094 /nfs/dbraw/zinc/77/10/94/1077771094.db2.gz SHTIDRDKRJIHEB-UHFFFAOYSA-N 1 1 401.820 2.548 20 0 HFADMO Cn1nc(C(F)(F)F)c(CNc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)c1Cl ZINC000789769898 1077771098 /nfs/dbraw/zinc/77/10/98/1077771098.db2.gz SHTIDRDKRJIHEB-UHFFFAOYSA-N 1 1 401.820 2.548 20 0 HFADMO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1nc(Br)ccc1F ZINC000792285683 1077775536 /nfs/dbraw/zinc/77/55/36/1077775536.db2.gz OECXVFGNIROMHK-ZBFHGGJFSA-N 1 1 422.298 2.596 20 0 HFADMO CCC[C@@H]1CN(C[C@H]2CC3(CCC3)C(=O)O2)CC[N@H+]1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792255295 1077781873 /nfs/dbraw/zinc/78/18/73/1077781873.db2.gz POVQECCHIRYQRF-GUDVDZBRSA-N 1 1 404.551 2.744 20 0 HFADMO CCC[C@@H]1C[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)CCN1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792255295 1077781881 /nfs/dbraw/zinc/78/18/81/1077781881.db2.gz POVQECCHIRYQRF-GUDVDZBRSA-N 1 1 404.551 2.744 20 0 HFADMO CCC[C@@H]1C[N@@H+](C[C@H]2CC3(CCC3)C(=O)O2)CCN1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792255295 1077781885 /nfs/dbraw/zinc/78/18/85/1077781885.db2.gz POVQECCHIRYQRF-GUDVDZBRSA-N 1 1 404.551 2.744 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)C2)c1 ZINC000792256125 1077782596 /nfs/dbraw/zinc/78/25/96/1077782596.db2.gz QUDLRVLZQYBYSH-LVWPNOBMSA-N 1 1 413.518 2.672 20 0 HFADMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000746853371 1077786202 /nfs/dbraw/zinc/78/62/02/1077786202.db2.gz UTMIGKAEPOORJK-IAGOWNOFSA-N 1 1 424.611 2.656 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCC(c3ccccn3)CC2)CC1 ZINC000792272948 1077788460 /nfs/dbraw/zinc/78/84/60/1077788460.db2.gz PXLKEGUKHWCPRC-UHFFFAOYSA-N 1 1 402.539 2.730 20 0 HFADMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000746859969 1077794796 /nfs/dbraw/zinc/79/47/96/1077794796.db2.gz XIAIJWCVAMINIX-GGPKGHCWSA-N 1 1 419.566 2.895 20 0 HFADMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000746859969 1077794804 /nfs/dbraw/zinc/79/48/04/1077794804.db2.gz XIAIJWCVAMINIX-GGPKGHCWSA-N 1 1 419.566 2.895 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCc3ccc(C)[nH+]c3N3CCCC3)C2)c1 ZINC000792308440 1077799849 /nfs/dbraw/zinc/79/98/49/1077799849.db2.gz ZUCQNFZRQKCLFG-OAQYLSRUSA-N 1 1 424.501 2.817 20 0 HFADMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1nc(Br)ccc1F ZINC000792309716 1077800547 /nfs/dbraw/zinc/80/05/47/1077800547.db2.gz RROPZCATCFBXCQ-OAHLLOKOSA-N 1 1 422.298 2.870 20 0 HFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000792309555 1077800587 /nfs/dbraw/zinc/80/05/87/1077800587.db2.gz BZDDTISSUFSUNQ-MSOLQXFVSA-N 1 1 412.575 2.528 20 0 HFADMO CCn1ccc(C[N@H+](C)CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)c1 ZINC000792316721 1077804209 /nfs/dbraw/zinc/80/42/09/1077804209.db2.gz ZKMUJUMHQQWXGR-UHFFFAOYSA-N 1 1 400.498 2.630 20 0 HFADMO CCn1ccc(C[N@@H+](C)CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)c1 ZINC000792316721 1077804219 /nfs/dbraw/zinc/80/42/19/1077804219.db2.gz ZKMUJUMHQQWXGR-UHFFFAOYSA-N 1 1 400.498 2.630 20 0 HFADMO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000772795252 1077829163 /nfs/dbraw/zinc/82/91/63/1077829163.db2.gz QDJBVSQVRNAHJV-WOJBJXKFSA-N 1 1 423.340 2.952 20 0 HFADMO COc1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc1OC ZINC000792387861 1077830401 /nfs/dbraw/zinc/83/04/01/1077830401.db2.gz HXHKQOVOUDHYTN-OAHLLOKOSA-N 1 1 417.481 2.786 20 0 HFADMO O=C(Nc1ccnn1C1CCCC1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792403373 1077837479 /nfs/dbraw/zinc/83/74/79/1077837479.db2.gz ARFKFNUEVLFIKA-KDURUIRLSA-N 1 1 407.518 2.527 20 0 HFADMO CCn1cc([C@@H](O)C[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)Cc2ccccc2)cn1 ZINC000792380578 1077845310 /nfs/dbraw/zinc/84/53/10/1077845310.db2.gz XPMROFMZYCXBFY-FQEVSTJZSA-N 1 1 422.485 2.806 20 0 HFADMO CCn1cc([C@@H](O)C[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)Cc2ccccc2)cn1 ZINC000792380578 1077845313 /nfs/dbraw/zinc/84/53/13/1077845313.db2.gz XPMROFMZYCXBFY-FQEVSTJZSA-N 1 1 422.485 2.806 20 0 HFADMO COc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)c3cc[nH]c3C3CC3)CC2)cc1 ZINC000792415670 1077848853 /nfs/dbraw/zinc/84/88/53/1077848853.db2.gz DTAKJSSIHVEXPW-UHFFFAOYSA-N 1 1 411.502 2.792 20 0 HFADMO CC[C@@H](C)n1ncc(NC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)c1C ZINC000792417558 1077849191 /nfs/dbraw/zinc/84/91/91/1077849191.db2.gz CROWXSIARKQDRR-MRXNPFEDSA-N 1 1 412.538 2.882 20 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COC(=O)c1cc(C(=O)C[NH2+][C@](C)(CO)c2ccc(Br)cc2)c(C)[nH]1 ZINC001170205732 1077905618 /nfs/dbraw/zinc/90/56/18/1077905618.db2.gz NTDFJRMDWMRUQN-GOSISDBHSA-N 1 1 409.280 2.552 20 0 HFADMO Cc1c[nH+]ccc1OC1CCN(C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000772801338 1077905812 /nfs/dbraw/zinc/90/58/12/1077905812.db2.gz XEIIETXRDBENIX-SFHVURJKSA-N 1 1 419.522 2.786 20 0 HFADMO CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cc(OC)c(OC)c(OC)c3)C2)CCO1 ZINC001170236221 1077914073 /nfs/dbraw/zinc/91/40/73/1077914073.db2.gz CQRZJADEWMZGFS-OKZBNKHCSA-N 1 1 406.523 2.864 20 0 HFADMO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)c1nc(N2CCOCC2)cc[nH+]1 ZINC001170239016 1077914576 /nfs/dbraw/zinc/91/45/76/1077914576.db2.gz QMYGSDVXIMRSQP-QKLQHJQFSA-N 1 1 422.570 2.911 20 0 HFADMO Cc1ccc(NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)cc1NC(=O)CC[NH+](C)C ZINC000790022417 1077917091 /nfs/dbraw/zinc/91/70/91/1077917091.db2.gz JACOFOJMSPIMSG-INIZCTEOSA-N 1 1 416.444 2.527 20 0 HFADMO O=C(N[C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1)C(F)(F)F ZINC001170272181 1077925501 /nfs/dbraw/zinc/92/55/01/1077925501.db2.gz FADYRMSUWSQZJF-MOPGFXCFSA-N 1 1 422.451 2.920 20 0 HFADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)C1 ZINC000790051336 1077931099 /nfs/dbraw/zinc/93/10/99/1077931099.db2.gz FIGREOLCNSYITC-NRFANRHFSA-N 1 1 414.594 2.572 20 0 HFADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000790052727 1077931701 /nfs/dbraw/zinc/93/17/01/1077931701.db2.gz KKENLIXHWDIXSK-NRFANRHFSA-N 1 1 414.594 2.668 20 0 HFADMO CN1CC[NH+](Cc2cccc(-c3noc(-c4cn(Cc5ccccc5)nn4)n3)c2)CC1 ZINC001212601383 1077938386 /nfs/dbraw/zinc/93/83/86/1077938386.db2.gz UXJUEUKFOUSIRQ-UHFFFAOYSA-N 1 1 415.501 2.791 20 0 HFADMO COC(=O)C(C(=O)OC)c1cncc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001170330451 1077944842 /nfs/dbraw/zinc/94/48/42/1077944842.db2.gz OUDWGMJDSMYVMW-NNZMDNLPSA-N 1 1 424.501 2.514 20 0 HFADMO COc1csc(C(=O)OCC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)c1 ZINC000747083261 1077950125 /nfs/dbraw/zinc/95/01/25/1077950125.db2.gz MZRZOOGLGHCIBV-UHFFFAOYSA-N 1 1 402.516 2.956 20 0 HFADMO Cc1cc(C)c(N2C[C@H](C(=O)N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2=O)c(C)c1 ZINC000790122810 1077957898 /nfs/dbraw/zinc/95/78/98/1077957898.db2.gz TYDIRBXQLHLRBJ-HSALFYBXSA-N 1 1 401.551 2.532 20 0 HFADMO Cc1cc(C)c(N2C[C@H](C(=O)N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2=O)c(C)c1 ZINC000790122810 1077957902 /nfs/dbraw/zinc/95/79/02/1077957902.db2.gz TYDIRBXQLHLRBJ-HSALFYBXSA-N 1 1 401.551 2.532 20 0 HFADMO Cc1cc(C)c(N2C[C@@H](C(=O)N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2=O)c(C)c1 ZINC000790122819 1077957929 /nfs/dbraw/zinc/95/79/29/1077957929.db2.gz TYDIRBXQLHLRBJ-ZCNNSNEGSA-N 1 1 401.551 2.532 20 0 HFADMO Cc1cc(C)c(N2C[C@@H](C(=O)N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2=O)c(C)c1 ZINC000790122819 1077957933 /nfs/dbraw/zinc/95/79/33/1077957933.db2.gz TYDIRBXQLHLRBJ-ZCNNSNEGSA-N 1 1 401.551 2.532 20 0 HFADMO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000790126325 1077959493 /nfs/dbraw/zinc/95/94/93/1077959493.db2.gz XNSZGUJTWPPATO-IBGZPJMESA-N 1 1 405.539 2.507 20 0 HFADMO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000790126325 1077959496 /nfs/dbraw/zinc/95/94/96/1077959496.db2.gz XNSZGUJTWPPATO-IBGZPJMESA-N 1 1 405.539 2.507 20 0 HFADMO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)NCC[N@H+]2CCC[C@H](C)C2)cn1 ZINC000790156466 1077960918 /nfs/dbraw/zinc/96/09/18/1077960918.db2.gz ALEFNUMULAQJJR-SIKLNZKXSA-N 1 1 413.566 2.880 20 0 HFADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)c3c(Cl)nc4ccccn43)n2)c1C ZINC000790160365 1077962595 /nfs/dbraw/zinc/96/25/95/1077962595.db2.gz CNGQLALAHCNCJV-UHFFFAOYSA-N 1 1 411.853 2.900 20 0 HFADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)/C=C/c3cnc4ccccc4n3)n2)c1C ZINC000790160433 1077962726 /nfs/dbraw/zinc/96/27/26/1077962726.db2.gz FPZPXWZCOBPUCI-CMDGGOBGSA-N 1 1 415.457 2.942 20 0 HFADMO COC(=O)Nc1cccc(C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)c1 ZINC000790163048 1077963645 /nfs/dbraw/zinc/96/36/45/1077963645.db2.gz VDPKYOBBZONLEF-UHFFFAOYSA-N 1 1 410.434 2.777 20 0 HFADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(F)(F)c3ncccc3C)n2)c1C ZINC000790165344 1077964082 /nfs/dbraw/zinc/96/40/82/1077964082.db2.gz WVHDYDWHKRNIOM-UHFFFAOYSA-N 1 1 402.405 2.781 20 0 HFADMO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000790189477 1077966845 /nfs/dbraw/zinc/96/68/45/1077966845.db2.gz JOYRKKUXXFABQV-BHDDXSALSA-N 1 1 411.550 2.775 20 0 HFADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2cc(Cl)cc(F)c2Br)CC1 ZINC000792700891 1077978182 /nfs/dbraw/zinc/97/81/82/1077978182.db2.gz WSDVFQXQCZVWLU-SNVBAGLBSA-N 1 1 421.694 2.951 20 0 HFADMO COc1ccc(CC[N@@H+](CC(C)C)[C@H]2CCN(C3CCOCC3)C2=O)cc1OC ZINC000790291177 1077987430 /nfs/dbraw/zinc/98/74/30/1077987430.db2.gz SPBXIXAYSSSPMR-FQEVSTJZSA-N 1 1 404.551 2.984 20 0 HFADMO CN(C)S(=O)(=O)c1cccc(NC(=S)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000772819889 1077988246 /nfs/dbraw/zinc/98/82/46/1077988246.db2.gz SQMVMUTYRIYQRG-DNVCBOLYSA-N 1 1 422.620 2.582 20 0 HFADMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000790264738 1077989837 /nfs/dbraw/zinc/98/98/37/1077989837.db2.gz OQXDPOINYXVCPB-KBAYOESNSA-N 1 1 409.452 2.764 20 0 HFADMO C[C@@H]1C[N@H+](CCCNC(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000792790770 1077992398 /nfs/dbraw/zinc/99/23/98/1077992398.db2.gz DBIHWLMHVGDZRX-HDICACEKSA-N 1 1 424.586 2.742 20 0 HFADMO C[NH+](C)[C@H](CNC(=O)N[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1)c1ccco1 ZINC000792791030 1077992418 /nfs/dbraw/zinc/99/24/18/1077992418.db2.gz XKODEGRTOOLPQB-GCJKJVERSA-N 1 1 414.506 2.983 20 0 HFADMO S=C(NCCc1ccc2c(c1)OCCO2)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000772821250 1077992581 /nfs/dbraw/zinc/99/25/81/1077992581.db2.gz WWYZQFXWUAQJSN-IEBWSBKVSA-N 1 1 401.576 2.824 20 0 HFADMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000790314544 1077995014 /nfs/dbraw/zinc/99/50/14/1077995014.db2.gz MTPHKTCIDLVQOA-JXFKEZNVSA-N 1 1 401.532 2.518 20 0 HFADMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000790314544 1077995015 /nfs/dbraw/zinc/99/50/15/1077995015.db2.gz MTPHKTCIDLVQOA-JXFKEZNVSA-N 1 1 401.532 2.518 20 0 HFADMO CC[N@H+]1CCC[C@H]1CNC(=S)N(CCO)Cc1ccc(Br)s1 ZINC000790357081 1078003151 /nfs/dbraw/zinc/00/31/51/1078003151.db2.gz RFYMLBMCHMRXAP-LBPRGKRZSA-N 1 1 406.415 2.664 20 0 HFADMO CC(C)(C)OC(=O)NCC[N@H+](Cc1ccccc1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000790339660 1078006928 /nfs/dbraw/zinc/00/69/28/1078006928.db2.gz UTAAXZSNYNZOPF-FQEVSTJZSA-N 1 1 417.550 2.793 20 0 HFADMO CC(C)(C)OC(=O)NCC[N@@H+](Cc1ccccc1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000790339660 1078006936 /nfs/dbraw/zinc/00/69/36/1078006936.db2.gz UTAAXZSNYNZOPF-FQEVSTJZSA-N 1 1 417.550 2.793 20 0 HFADMO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000792863934 1078011007 /nfs/dbraw/zinc/01/10/07/1078011007.db2.gz VZNZSGQYIRWNJX-IBGZPJMESA-N 1 1 417.550 2.781 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCc1ccc(NC(=O)N(C)C)cc1 ZINC000792843296 1078012955 /nfs/dbraw/zinc/01/29/55/1078012955.db2.gz YCCSQEXTPSEJIG-UHFFFAOYSA-N 1 1 407.478 2.669 20 0 HFADMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000792848036 1078014080 /nfs/dbraw/zinc/01/40/80/1078014080.db2.gz LBCJDKQLACNCIT-DUXKGJEZSA-N 1 1 424.545 2.959 20 0 HFADMO O=C1CN([C@@H]2CCN(C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)c2ccccc2N1 ZINC000792878011 1078015957 /nfs/dbraw/zinc/01/59/57/1078015957.db2.gz QYBJRPGDQBGJNX-FGZHOGPDSA-N 1 1 420.557 2.811 20 0 HFADMO O=C1CN([C@@H]2CC[N@H+](C[C@H]3CN(Cc4ccccc4)CCCO3)C2)c2ccccc2N1 ZINC000792878011 1078015963 /nfs/dbraw/zinc/01/59/63/1078015963.db2.gz QYBJRPGDQBGJNX-FGZHOGPDSA-N 1 1 420.557 2.811 20 0 HFADMO O=C1CN([C@@H]2CC[N@@H+](C[C@H]3CN(Cc4ccccc4)CCCO3)C2)c2ccccc2N1 ZINC000792878011 1078015966 /nfs/dbraw/zinc/01/59/66/1078015966.db2.gz QYBJRPGDQBGJNX-FGZHOGPDSA-N 1 1 420.557 2.811 20 0 HFADMO O=C1CN([C@@H]2CCN(C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)c2ccccc2N1 ZINC000792878015 1078015978 /nfs/dbraw/zinc/01/59/78/1078015978.db2.gz QYBJRPGDQBGJNX-YADHBBJMSA-N 1 1 420.557 2.811 20 0 HFADMO O=C1CN([C@@H]2CC[N@H+](C[C@@H]3CN(Cc4ccccc4)CCCO3)C2)c2ccccc2N1 ZINC000792878015 1078015984 /nfs/dbraw/zinc/01/59/84/1078015984.db2.gz QYBJRPGDQBGJNX-YADHBBJMSA-N 1 1 420.557 2.811 20 0 HFADMO O=C1CN([C@@H]2CC[N@@H+](C[C@@H]3CN(Cc4ccccc4)CCCO3)C2)c2ccccc2N1 ZINC000792878015 1078015989 /nfs/dbraw/zinc/01/59/89/1078015989.db2.gz QYBJRPGDQBGJNX-YADHBBJMSA-N 1 1 420.557 2.811 20 0 HFADMO CC(=O)c1ccc(N2CCN(C(=O)c3c(C)nn(C)c3-n3cc[nH+]c3C)CC2)c(F)c1 ZINC000792880965 1078016407 /nfs/dbraw/zinc/01/64/07/1078016407.db2.gz BEZGABGGZGLSGM-UHFFFAOYSA-N 1 1 424.480 2.527 20 0 HFADMO C[C@](O)(C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000792881771 1078016612 /nfs/dbraw/zinc/01/66/12/1078016612.db2.gz ARDBCGFRICZZLY-NRFANRHFSA-N 1 1 424.513 2.788 20 0 HFADMO C[C@](O)(C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000792881771 1078016617 /nfs/dbraw/zinc/01/66/17/1078016617.db2.gz ARDBCGFRICZZLY-NRFANRHFSA-N 1 1 424.513 2.788 20 0 HFADMO COc1cc(C)[nH+]c(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2nccn2C)c1 ZINC000792910116 1078019768 /nfs/dbraw/zinc/01/97/68/1078019768.db2.gz DKVACJOBABAZDK-GOSISDBHSA-N 1 1 401.511 2.926 20 0 HFADMO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000792908543 1078020830 /nfs/dbraw/zinc/02/08/30/1078020830.db2.gz PIDBUKISVJPYBP-KNQAVFIVSA-N 1 1 402.539 2.819 20 0 HFADMO Cc1[nH+]ccn1CCCCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1nccn1C ZINC000792909446 1078021450 /nfs/dbraw/zinc/02/14/50/1078021450.db2.gz VFLAUCKWICYRNX-GOSISDBHSA-N 1 1 402.543 2.999 20 0 HFADMO C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3c4nc(N5CCC[C@H](C)C5)ncc4CS(=O)(=O)[C@@H]3C2)C1 ZINC001170135116 1078021822 /nfs/dbraw/zinc/02/18/22/1078021822.db2.gz GLGGZWOAVLKXDT-XWCCPHMRSA-N 1 1 404.580 2.598 20 0 HFADMO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cn1 ZINC000790420176 1078022244 /nfs/dbraw/zinc/02/22/44/1078022244.db2.gz GSQDMQHAALHSKF-UCNVEGJOSA-N 1 1 411.550 2.773 20 0 HFADMO CN1CC[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@@H]1Cc1ccccc1 ZINC000792942566 1078022624 /nfs/dbraw/zinc/02/26/24/1078022624.db2.gz ORVRAIZOMHVWKU-DEOSSOPVSA-N 1 1 422.573 2.711 20 0 HFADMO C[N@@H+]1CCN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@@H]1Cc1ccccc1 ZINC000792942566 1078022628 /nfs/dbraw/zinc/02/26/28/1078022628.db2.gz ORVRAIZOMHVWKU-DEOSSOPVSA-N 1 1 422.573 2.711 20 0 HFADMO C[N@H+]1CCN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@@H]1Cc1ccccc1 ZINC000792942566 1078022634 /nfs/dbraw/zinc/02/26/34/1078022634.db2.gz ORVRAIZOMHVWKU-DEOSSOPVSA-N 1 1 422.573 2.711 20 0 HFADMO C[N@H+]1CCN(Cc2nnnn2-c2ccc(OC(F)F)cc2)C[C@H]1Cc1ccccc1 ZINC000792944172 1078022892 /nfs/dbraw/zinc/02/28/92/1078022892.db2.gz WVRFUFUHGHSYHG-GOSISDBHSA-N 1 1 414.460 2.622 20 0 HFADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C(=O)Nc1cccc(Br)n1 ZINC000792944630 1078022959 /nfs/dbraw/zinc/02/29/59/1078022959.db2.gz AZHIWILNULUDGF-ZDUSSCGKSA-N 1 1 421.295 2.719 20 0 HFADMO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792914633 1078024350 /nfs/dbraw/zinc/02/43/50/1078024350.db2.gz QQAGBGBOWSVYDJ-FCEWJHQRSA-N 1 1 411.329 2.629 20 0 HFADMO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792914633 1078024354 /nfs/dbraw/zinc/02/43/54/1078024354.db2.gz QQAGBGBOWSVYDJ-FCEWJHQRSA-N 1 1 411.329 2.629 20 0 HFADMO CN(C(=O)C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)c1ccccc1C(=O)NCc1ccco1 ZINC000792923262 1078026980 /nfs/dbraw/zinc/02/69/80/1078026980.db2.gz DLQRUBGNUPZYAF-RTWAWAEBSA-N 1 1 411.502 2.816 20 0 HFADMO CCNC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000792923268 1078026997 /nfs/dbraw/zinc/02/69/97/1078026997.db2.gz BSHJRPAGYKTIKF-UEXGIBASSA-N 1 1 416.566 2.619 20 0 HFADMO CCNC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000792923265 1078027015 /nfs/dbraw/zinc/02/70/15/1078027015.db2.gz BSHJRPAGYKTIKF-OPYAIIAOSA-N 1 1 416.566 2.619 20 0 HFADMO O=C(NC[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1)OCc1ccccc1 ZINC000792951276 1078033545 /nfs/dbraw/zinc/03/35/45/1078033545.db2.gz QTNZMZIYOWCAOF-NHCUHLMSSA-N 1 1 414.550 2.819 20 0 HFADMO COC(=O)c1c2cnn(C[N@H+]3CC[C@H]([C@H]4CCOC4)C3)c2ccc1Br ZINC000790443415 1078033712 /nfs/dbraw/zinc/03/37/12/1078033712.db2.gz VKEGVVQOZMYBKT-STQMWFEESA-N 1 1 408.296 2.901 20 0 HFADMO COC(=O)c1c2cnn(CN(C)[C@@H]3CC[N@H+](C4CC4)C3)c2ccc1Br ZINC000790446081 1078034070 /nfs/dbraw/zinc/03/40/70/1078034070.db2.gz LIXKUTKHPFQMQV-CYBMUJFWSA-N 1 1 407.312 2.711 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)Nc3cccc(Cl)n3)cc2)C[C@H](C)O1 ZINC000792952905 1078034116 /nfs/dbraw/zinc/03/41/16/1078034116.db2.gz WEADFRPZYQMOIK-GASCZTMLSA-N 1 1 416.909 2.599 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000790452227 1078035724 /nfs/dbraw/zinc/03/57/24/1078035724.db2.gz XBOCBXDDSBQEKA-CQSZACIVSA-N 1 1 407.458 2.586 20 0 HFADMO CCOC(=O)c1cc(S(=O)(=O)N[C@H](C[NH+](C)C)c2ccc(OC)cc2)ccc1F ZINC000790472892 1078039250 /nfs/dbraw/zinc/03/92/50/1078039250.db2.gz NIROGGYSQCATCI-LJQANCHMSA-N 1 1 424.494 2.592 20 0 HFADMO COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC000790484369 1078042257 /nfs/dbraw/zinc/04/22/57/1078042257.db2.gz SJLXKPBEAMMZOO-CQSZACIVSA-N 1 1 404.319 2.978 20 0 HFADMO O=C1c2ccc(Br)cc2N(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000772825619 1078042482 /nfs/dbraw/zinc/04/24/82/1078042482.db2.gz CMZTYYFUBRBWBT-SUMWQHHRSA-N 1 1 418.335 2.885 20 0 HFADMO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(c3ccccc3)CC2)[C@@H](C)C1 ZINC000806225171 1079507779 /nfs/dbraw/zinc/50/77/79/1079507779.db2.gz GMTGAUKSVXHLDP-UGKGYDQZSA-N 1 1 415.578 2.646 20 0 HFADMO Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000806239082 1079514819 /nfs/dbraw/zinc/51/48/19/1079514819.db2.gz MXHIAQNNRYBHSY-YADHBBJMSA-N 1 1 423.561 2.551 20 0 HFADMO COC(=O)N1CCC(CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000806242621 1079519182 /nfs/dbraw/zinc/51/91/82/1079519182.db2.gz BJOJSLCNVPDZBZ-UHFFFAOYSA-N 1 1 406.552 2.835 20 0 HFADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)Nc3n[nH]c(C4CC4)c3C)cc2)CC1 ZINC000806335200 1079606936 /nfs/dbraw/zinc/60/69/36/1079606936.db2.gz OEPDJHVNCDISDQ-UHFFFAOYSA-N 1 1 410.522 2.946 20 0 HFADMO CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000806354025 1079625695 /nfs/dbraw/zinc/62/56/95/1079625695.db2.gz SFJLLZRLQOFBNQ-NAZJXLNTSA-N 1 1 408.568 2.852 20 0 HFADMO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000806355626 1079643865 /nfs/dbraw/zinc/64/38/65/1079643865.db2.gz YDYONGCUBUPKCK-BZSNNMDCSA-N 1 1 412.575 2.573 20 0 HFADMO CN1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1=O ZINC001130606177 1079656930 /nfs/dbraw/zinc/65/69/30/1079656930.db2.gz OCQWARPIHPGNHC-LEWJYISDSA-N 1 1 411.933 2.856 20 0 HFADMO CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000806429207 1079673943 /nfs/dbraw/zinc/67/39/43/1079673943.db2.gz REGADHUBTPTJSC-QUCCMNQESA-N 1 1 406.571 2.903 20 0 HFADMO C[NH+]1CCN(CCCCNC(=O)c2nc(Br)sc2C2CC2)CC1 ZINC000806450616 1079722146 /nfs/dbraw/zinc/72/21/46/1079722146.db2.gz YAIVDJBPGPIVAZ-UHFFFAOYSA-N 1 1 401.374 2.540 20 0 HFADMO Cn1[nH]cc2c(=NC(=O)N3CC[C@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)ccnc1-2 ZINC000806491371 1079741355 /nfs/dbraw/zinc/74/13/55/1079741355.db2.gz IZFVZJAVBYTSMK-NQIIRXRSSA-N 1 1 404.518 2.860 20 0 HFADMO Cc1nccn1-c1ncccc1CNC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000806506408 1079755869 /nfs/dbraw/zinc/75/58/69/1079755869.db2.gz SKZZGOOAZCOUIU-NRFANRHFSA-N 1 1 404.518 2.644 20 0 HFADMO Cc1nccn1-c1ncccc1CNC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000806506408 1079755875 /nfs/dbraw/zinc/75/58/75/1079755875.db2.gz SKZZGOOAZCOUIU-NRFANRHFSA-N 1 1 404.518 2.644 20 0 HFADMO O=C(COc1ccc2cc(Br)ccc2c1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000747340542 1079901246 /nfs/dbraw/zinc/90/12/46/1079901246.db2.gz BCOMGZQLVFYUKV-HKUYNNGSSA-N 1 1 419.319 2.961 20 0 HFADMO Cc1cc(I)cc(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000806684177 1079912302 /nfs/dbraw/zinc/91/23/02/1079912302.db2.gz RPVCOTYZZDVPQB-LSDHHAIUSA-N 1 1 415.275 2.584 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000806738408 1079929559 /nfs/dbraw/zinc/92/95/59/1079929559.db2.gz CZDCRETXIUQSBA-CKEIUWERSA-N 1 1 402.322 2.579 20 0 HFADMO C[C@H](NC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000806723609 1079947077 /nfs/dbraw/zinc/94/70/77/1079947077.db2.gz LRICDLYQTTXWSP-UWJYYQICSA-N 1 1 406.530 2.835 20 0 HFADMO C[C@H](NC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000806723609 1079947079 /nfs/dbraw/zinc/94/70/79/1079947079.db2.gz LRICDLYQTTXWSP-UWJYYQICSA-N 1 1 406.530 2.835 20 0 HFADMO C[C@H](NC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000806733187 1079958861 /nfs/dbraw/zinc/95/88/61/1079958861.db2.gz YWMMHHOTPXXFHR-RXVVDRJESA-N 1 1 423.557 2.557 20 0 HFADMO C[C@@H](NC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000806733188 1079958933 /nfs/dbraw/zinc/95/89/33/1079958933.db2.gz YWMMHHOTPXXFHR-WIYYLYMNSA-N 1 1 423.557 2.557 20 0 HFADMO COc1cccc(OCCC(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001130732707 1079970244 /nfs/dbraw/zinc/97/02/44/1079970244.db2.gz BBLPISLTHZSYNQ-GOTSBHOMSA-N 1 1 410.514 2.966 20 0 HFADMO CC(C)C(=O)Nc1cc(C(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)ccn1 ZINC001130733709 1079973156 /nfs/dbraw/zinc/97/31/56/1079973156.db2.gz WZWXWPGNNNCMDM-NHCUHLMSSA-N 1 1 422.529 2.792 20 0 HFADMO CN1CC[NH+](CCCOc2ccc(NC(=O)CCNC(=O)OC(C)(C)C)cc2)CC1 ZINC001130742204 1080005576 /nfs/dbraw/zinc/00/55/76/1080005576.db2.gz NCJRPVHRKIPYPV-UHFFFAOYSA-N 1 1 420.554 2.556 20 0 HFADMO CN1CC[NH+](CCCOc2ccc(NC(=O)[C@@]34CCO[C@H]3CCCC4)cc2)CC1 ZINC001130742171 1080005685 /nfs/dbraw/zinc/00/56/85/1080005685.db2.gz LPKREAAZTHHDML-GMAHTHKFSA-N 1 1 401.551 2.991 20 0 HFADMO C[N@@H+]1CCN(C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)[C@H](Cc2ccccc2)C1 ZINC001130751065 1080020276 /nfs/dbraw/zinc/02/02/76/1080020276.db2.gz CJJBOSMMJAFCNW-HXUWFJFHSA-N 1 1 408.477 2.694 20 0 HFADMO C[N@H+]1CCN(C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)[C@H](Cc2ccccc2)C1 ZINC001130751065 1080020284 /nfs/dbraw/zinc/02/02/84/1080020284.db2.gz CJJBOSMMJAFCNW-HXUWFJFHSA-N 1 1 408.477 2.694 20 0 HFADMO COC(=O)c1cc(C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)n(-c2ccccc2)n1 ZINC001130751309 1080021191 /nfs/dbraw/zinc/02/11/91/1080021191.db2.gz ICCNUIYLRNAITJ-FQEVSTJZSA-N 1 1 418.497 2.658 20 0 HFADMO COC(=O)c1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)n(-c2ccccc2)n1 ZINC001130751309 1080021198 /nfs/dbraw/zinc/02/11/98/1080021198.db2.gz ICCNUIYLRNAITJ-FQEVSTJZSA-N 1 1 418.497 2.658 20 0 HFADMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001130758078 1080043448 /nfs/dbraw/zinc/04/34/48/1080043448.db2.gz RZCOUVPJTTZLMZ-HOJAQTOUSA-N 1 1 415.534 2.765 20 0 HFADMO COC(=O)Nc1ccc(CCNC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)cc1 ZINC000806834257 1080047568 /nfs/dbraw/zinc/04/75/68/1080047568.db2.gz ALPVZBMELNJPJJ-OAQYLSRUSA-N 1 1 410.518 2.976 20 0 HFADMO COC(=O)Nc1ccc(CCNC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)cc1 ZINC000806834257 1080047581 /nfs/dbraw/zinc/04/75/81/1080047581.db2.gz ALPVZBMELNJPJJ-OAQYLSRUSA-N 1 1 410.518 2.976 20 0 HFADMO COc1cc(C)c(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)c(C)c1C ZINC000806857416 1080061370 /nfs/dbraw/zinc/06/13/70/1080061370.db2.gz WJSLUATYXLZUDX-UHFFFAOYSA-N 1 1 407.474 2.764 20 0 HFADMO C[NH+](C)CCN1CCC(CNC(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)CC1 ZINC000806872163 1080073519 /nfs/dbraw/zinc/07/35/19/1080073519.db2.gz FMHHUOVCXZVFNZ-NRFANRHFSA-N 1 1 406.958 2.613 20 0 HFADMO C[NH+](C)CCN1CCC(CNC(=O)[C@@]2(C)CC(c3ccccc3Cl)=NO2)CC1 ZINC000806872164 1080073548 /nfs/dbraw/zinc/07/35/48/1080073548.db2.gz FMHHUOVCXZVFNZ-OAQYLSRUSA-N 1 1 406.958 2.613 20 0 HFADMO CC(C)(O)c1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000806886478 1080083440 /nfs/dbraw/zinc/08/34/40/1080083440.db2.gz QCTYVGQPNSWDEH-IBGZPJMESA-N 1 1 409.530 2.533 20 0 HFADMO CN(C)c1[nH+]cc(CNC(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)n1C ZINC000806928172 1080096665 /nfs/dbraw/zinc/09/66/65/1080096665.db2.gz GUMGPBVFUHBOEK-NRFANRHFSA-N 1 1 407.518 2.932 20 0 HFADMO NC(=O)c1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc1Cl ZINC000806989709 1080168815 /nfs/dbraw/zinc/16/88/15/1080168815.db2.gz CIWBPCHJDIASHB-JOCHJYFZSA-N 1 1 412.921 2.962 20 0 HFADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)C1 ZINC000807003232 1080181836 /nfs/dbraw/zinc/18/18/36/1080181836.db2.gz ZAAVCVZVDWDFSE-QAETUUGQSA-N 1 1 420.520 2.841 20 0 HFADMO CCOC(=O)C1C[NH2+]CCC1=Nc1ncc(Br)cc1Br ZINC001170515364 1080193863 /nfs/dbraw/zinc/19/38/63/1080193863.db2.gz KCEYASVWLPXBLT-UHFFFAOYSA-N 1 1 405.090 2.829 20 0 HFADMO CSCC[C@@H](C)NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 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/nfs/dbraw/zinc/32/07/89/1080320789.db2.gz WGFBJWVYDMLYAE-UHFFFAOYSA-N 1 1 419.525 2.586 20 0 HFADMO C[N@H+]1CCCC[C@H]1CCC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000807180413 1080374060 /nfs/dbraw/zinc/37/40/60/1080374060.db2.gz JXVFTTDGRLLOEL-AWEZNQCLSA-N 1 1 422.469 2.740 20 0 HFADMO NC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1Cl ZINC000807225129 1080384672 /nfs/dbraw/zinc/38/46/72/1080384672.db2.gz CAPFAOVJLCSVNL-CGTJXYLNSA-N 1 1 412.921 2.864 20 0 HFADMO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)NCc2c[nH+]c3n2CCCC3)cn1 ZINC000807265076 1080470339 /nfs/dbraw/zinc/47/03/39/1080470339.db2.gz YZLVSXMOOFCSQZ-NRFANRHFSA-N 1 1 422.533 2.881 20 0 HFADMO CC(C)(O)c1cccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000807354499 1080517135 /nfs/dbraw/zinc/51/71/35/1080517135.db2.gz CDHMCTXRGQDXAS-RUZDIDTESA-N 1 1 421.541 2.977 20 0 HFADMO Cc1ccc(N(C)[C@H]2CCCN(C(=O)C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC000807363496 1080525575 /nfs/dbraw/zinc/52/55/75/1080525575.db2.gz IYYMMYXWBHTGKY-VCWGRIPDSA-N 1 1 412.578 2.554 20 0 HFADMO CCOC(=O)C1=C(Nc2cccn3c(=O)ccnc23)CC[N@@H+](Cc2ccccc2)C1 ZINC001170522314 1080539859 /nfs/dbraw/zinc/53/98/59/1080539859.db2.gz IAUSDUNFRNKFNR-UHFFFAOYSA-N 1 1 404.470 2.830 20 0 HFADMO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccc(C4(O)COC4)cc3)c2C1 ZINC000807532940 1080746914 /nfs/dbraw/zinc/74/69/14/1080746914.db2.gz VHSOYQIIOCHGFL-MRXNPFEDSA-N 1 1 423.513 2.842 20 0 HFADMO C[C@H]1[C@H](NC(=O)C(=O)Nc2cccc(Br)n2)CC[N@H+]1Cc1ccccc1 ZINC000807543215 1080758311 /nfs/dbraw/zinc/75/83/11/1080758311.db2.gz KQWYEAPTFCASGE-DZGCQCFKSA-N 1 1 417.307 2.562 20 0 HFADMO COC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000807544742 1080761587 /nfs/dbraw/zinc/76/15/87/1080761587.db2.gz ZWCDEJFDHURVDB-HNAYVOBHSA-N 1 1 410.474 2.583 20 0 HFADMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C[C@H]1c1ccc(O)cc1 ZINC001170528040 1080784033 /nfs/dbraw/zinc/78/40/33/1080784033.db2.gz WOICQRUXLWMOTQ-XZOQPEGZSA-N 1 1 410.514 2.613 20 0 HFADMO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)no1 ZINC000807583083 1080795127 /nfs/dbraw/zinc/79/51/27/1080795127.db2.gz ZBCRLWZSANABRJ-IEZWGBDMSA-N 1 1 416.547 2.907 20 0 HFADMO O=C(CCc1nc2ccccc2o1)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000807585780 1080797546 /nfs/dbraw/zinc/79/75/46/1080797546.db2.gz RNTHKKJJLFDIQO-UHFFFAOYSA-N 1 1 407.470 2.648 20 0 HFADMO COC[C@]1(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CCCN1C(=O)OC(C)(C)C ZINC000807552860 1080802459 /nfs/dbraw/zinc/80/24/59/1080802459.db2.gz CBZURPOPJBRJIW-JBYIUTFZSA-N 1 1 424.586 2.528 20 0 HFADMO COC[C@]1(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CCCN1C(=O)OC(C)(C)C ZINC000807552866 1080802604 /nfs/dbraw/zinc/80/26/04/1080802604.db2.gz CBZURPOPJBRJIW-NPPFBWRTSA-N 1 1 424.586 2.528 20 0 HFADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@]1(COC)CCCN1C(=O)OC(C)(C)C ZINC000807552572 1080803237 /nfs/dbraw/zinc/80/32/37/1080803237.db2.gz AQWHXBBLMTXXCG-FGSXEWAUSA-N 1 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412.534 2.924 20 0 HFADMO CCOC(=O)c1cnc2cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COC)[nH]cc1-2 ZINC001164817984 720158843 /nfs/dbraw/zinc/15/88/43/720158843.db2.gz QUXITNFNJYFGHX-HXOBKFHXSA-N 1 1 412.534 2.924 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c(OC)cc(OC)cc31)C2 ZINC001164811523 720200122 /nfs/dbraw/zinc/20/01/22/720200122.db2.gz JGFKSKCVCJNWNK-UZUQRXQVSA-N 1 1 412.534 2.832 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc(Cl)c1[C@H](C)C(=O)OC)C2 ZINC001164811825 720202138 /nfs/dbraw/zinc/20/21/38/720202138.db2.gz KFSJRZDRSVHJKZ-HTZUNMPGSA-N 1 1 422.957 2.591 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4ccc(F)cc43)C2)C1 ZINC001164720366 720230918 /nfs/dbraw/zinc/23/09/18/720230918.db2.gz ZLMKJWSZPPVDBI-NRFANRHFSA-N 1 1 420.916 2.692 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4ccc(F)cc43)C2)C1 ZINC001164720366 720230926 /nfs/dbraw/zinc/23/09/26/720230926.db2.gz ZLMKJWSZPPVDBI-NRFANRHFSA-N 1 1 420.916 2.692 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4ccsc43)C2)C1 ZINC001164719753 720237919 /nfs/dbraw/zinc/23/79/19/720237919.db2.gz OOTROMOBMMFNMG-IBGZPJMESA-N 1 1 408.955 2.615 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4ccsc43)C2)C1 ZINC001164719753 720237924 /nfs/dbraw/zinc/23/79/24/720237924.db2.gz OOTROMOBMMFNMG-IBGZPJMESA-N 1 1 408.955 2.615 20 0 HFADMO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc3[nH]cnc3cc2Cl)CC1 ZINC001164831444 720325137 /nfs/dbraw/zinc/32/51/37/720325137.db2.gz SAYMLFUOSXRJTN-IRXDYDNUSA-N 1 1 402.930 2.523 20 0 HFADMO c1cc2nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc(N3CCOCC3)c2s1 ZINC001164729884 720348240 /nfs/dbraw/zinc/34/82/40/720348240.db2.gz YTUBGJSIXNZSMY-OALUTQOASA-N 1 1 422.558 2.776 20 0 HFADMO O=C1NCCc2[nH]c(-c3ccnc(N4CC[C@H]5[C@H]4CC[N@H+]5Cc4cccnc4)c3)cc21 ZINC001164729034 720376814 /nfs/dbraw/zinc/37/68/14/720376814.db2.gz UVEACVQTJRYQPR-FCHUYYIVSA-N 1 1 414.513 2.611 20 0 HFADMO C[N@@H+](Cc1ccc(N2CC[C@H]3[C@@H](CC(=O)N4CCCCC4)OC[C@H]3C2)nc1)C1CC1 ZINC001164836101 720502800 /nfs/dbraw/zinc/50/28/00/720502800.db2.gz MOPAABMQBZAFMU-CEMLEFRQSA-N 1 1 412.578 2.920 20 0 HFADMO COC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(F)c1 ZINC001164839304 720532964 /nfs/dbraw/zinc/53/29/64/720532964.db2.gz QDYJJQQRFZEJEA-YQVWRLOYSA-N 1 1 401.486 2.582 20 0 HFADMO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1C ZINC001164837352 720537492 /nfs/dbraw/zinc/53/74/92/720537492.db2.gz LXMLYASQDYVPIX-NLWGTHIKSA-N 1 1 412.538 2.536 20 0 HFADMO CNC(=O)c1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1Cl ZINC001164837389 720563719 /nfs/dbraw/zinc/56/37/19/720563719.db2.gz MEROHIVKAOCHPD-SOLBZPMBSA-N 1 1 416.957 2.669 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)cc4c3CNC4=O)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836316 720564672 /nfs/dbraw/zinc/56/46/72/720564672.db2.gz JODJGODOHPZZER-RLFYNMQTSA-N 1 1 414.941 2.553 20 0 HFADMO CC(C)[N@H+]1[C@@H]2CCN(c3nc[nH]c4nc(=S)sc3-4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843559 720592920 /nfs/dbraw/zinc/59/29/20/720592920.db2.gz YCHQWTCAKOPDAW-SOUVJXGZSA-N 1 1 415.592 2.949 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc[nH]c4nc(=S)sc3-4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843559 720592929 /nfs/dbraw/zinc/59/29/29/720592929.db2.gz YCHQWTCAKOPDAW-SOUVJXGZSA-N 1 1 415.592 2.949 20 0 HFADMO CCCNC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164837152 720608717 /nfs/dbraw/zinc/60/87/17/720608717.db2.gz HHOJFJLNCBUQPB-NJDAHSKKSA-N 1 1 410.566 2.796 20 0 HFADMO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncccc1S(C)(=O)=O)CC2 ZINC001164844559 720679177 /nfs/dbraw/zinc/67/91/77/720679177.db2.gz UFRQMUNBLVONSH-LJQANCHMSA-N 1 1 415.559 2.745 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncccc1S(C)(=O)=O)CC2 ZINC001164844559 720679183 /nfs/dbraw/zinc/67/91/83/720679183.db2.gz UFRQMUNBLVONSH-LJQANCHMSA-N 1 1 415.559 2.745 20 0 HFADMO CCOC(=O)c1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc2ccccc21 ZINC001164737121 720692199 /nfs/dbraw/zinc/69/21/99/720692199.db2.gz DMOYOSFNLLVTNT-SJORKVTESA-N 1 1 419.485 2.543 20 0 HFADMO CCOC(=O)c1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc2ccccc21 ZINC001164737119 720692296 /nfs/dbraw/zinc/69/22/96/720692296.db2.gz DMOYOSFNLLVTNT-IAGOWNOFSA-N 1 1 419.485 2.543 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3c(n1)NC(=O)CO3)CC2 ZINC001164844506 720694795 /nfs/dbraw/zinc/69/47/95/720694795.db2.gz SPTZZTZKPDBPPB-GOSISDBHSA-N 1 1 408.502 2.672 20 0 HFADMO Clc1cccc(-c2cccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)n1 ZINC001164739251 720699747 /nfs/dbraw/zinc/69/97/47/720699747.db2.gz MKVKIPGOSWDGLT-HZPDHXFCSA-N 1 1 408.893 2.929 20 0 HFADMO c1cn(C2CCCC2)c2ncnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164737797 720709940 /nfs/dbraw/zinc/70/99/40/720709940.db2.gz GYFPNEIXKFYXQV-MSOLQXFVSA-N 1 1 405.506 2.678 20 0 HFADMO CCc1nc2sc3c(c2c(N2CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C2)n1)CCC3 ZINC001164741127 720758368 /nfs/dbraw/zinc/75/83/68/720758368.db2.gz MIMZQBIWHCKFLQ-GJZGRUSLSA-N 1 1 422.558 2.874 20 0 HFADMO Cc1cc(-c2cccc(F)c2)nnc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164749279 720801731 /nfs/dbraw/zinc/80/17/31/720801731.db2.gz SXTWWNSCOLYWPK-RBUKOAKNSA-N 1 1 406.465 2.723 20 0 HFADMO c1ccc(SCc2nccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164749813 720802312 /nfs/dbraw/zinc/80/23/12/720802312.db2.gz UOQVMYZWOQSLHL-ROUUACIJSA-N 1 1 420.542 2.901 20 0 HFADMO FC(F)(N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164740885 720805229 /nfs/dbraw/zinc/80/52/29/720805229.db2.gz AQNPXEBPPQJNHW-HOTGVXAUSA-N 1 1 421.879 2.987 20 0 HFADMO Cc1cc2c(ncnc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)s1 ZINC001164743388 720808929 /nfs/dbraw/zinc/80/89/29/720808929.db2.gz FSWBSWOJWZWBMJ-ZIFCJYIRSA-N 1 1 409.563 2.971 20 0 HFADMO FC(F)(c1nccc(Cl)n1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164752077 720814327 /nfs/dbraw/zinc/81/43/27/720814327.db2.gz YNZLTLHWRPDLSC-HRCADAONSA-N 1 1 423.899 2.646 20 0 HFADMO CCc1ncnc(Cl)c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748766 720814631 /nfs/dbraw/zinc/81/46/31/720814631.db2.gz RIZNHILDEWYTSF-SOLBZPMBSA-N 1 1 401.946 2.663 20 0 HFADMO Clc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C2CC2)n1 ZINC001164744873 720814876 /nfs/dbraw/zinc/81/48/76/720814876.db2.gz JEDONFGVZSBGFM-FGTMMUONSA-N 1 1 413.957 2.978 20 0 HFADMO Clc1nc2c(c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n1)CCC2 ZINC001164740763 720815278 /nfs/dbraw/zinc/81/52/78/720815278.db2.gz AJANACRMBIHCEP-GPMSIDNRSA-N 1 1 413.957 2.590 20 0 HFADMO O=C([C@@H]1CC[C@@H]2[C@@H](CCN2c2nc(Cl)ccc2C[NH+]2CCCC2)O1)N1CCCO1 ZINC001164852200 720820038 /nfs/dbraw/zinc/82/00/38/720820038.db2.gz ZZKQBUCDBBUECN-KURKYZTESA-N 1 1 420.941 2.621 20 0 HFADMO Clc1cc2[nH]cnc2nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746542 720835580 /nfs/dbraw/zinc/83/55/80/720835580.db2.gz OJEDVHSRWNXXJP-IIDMSEBBSA-N 1 1 412.929 2.582 20 0 HFADMO Clc1cc2nc[nH]c2nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746542 720835582 /nfs/dbraw/zinc/83/55/82/720835582.db2.gz OJEDVHSRWNXXJP-IIDMSEBBSA-N 1 1 412.929 2.582 20 0 HFADMO Clc1cc2nc[nH]c2nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746542 720835586 /nfs/dbraw/zinc/83/55/86/720835586.db2.gz OJEDVHSRWNXXJP-IIDMSEBBSA-N 1 1 412.929 2.582 20 0 HFADMO CCOC(=O)c1c(C)ccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748376 720840529 /nfs/dbraw/zinc/84/05/29/720840529.db2.gz UNOTVBRXVDZXGZ-VAMGGRTRSA-N 1 1 424.549 2.538 20 0 HFADMO c1csc(-c2nccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)n1 ZINC001164750209 720860548 /nfs/dbraw/zinc/86/05/48/720860548.db2.gz ORJVDCWPOHKZAB-KZNAEPCWSA-N 1 1 422.562 2.571 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)ccc3CN3CCCC3)CC[C@@H]2C1 ZINC001164855472 720861171 /nfs/dbraw/zinc/86/11/71/720861171.db2.gz MWMWDWKFOKBZRV-MJGOQNOKSA-N 1 1 408.974 2.504 20 0 HFADMO CCOC(=O)c1cc2ccccc2nc1N1CC[C@@H]2C[N@@H+](CCOC)CCO[C@H]2C1 ZINC001164858179 720865131 /nfs/dbraw/zinc/86/51/31/720865131.db2.gz RMMKVPRXJLPMQM-NQIIRXRSSA-N 1 1 413.518 2.585 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nccc(Oc4cccc(F)c4)n3)CC[C@@H]2C1 ZINC001164854528 720869316 /nfs/dbraw/zinc/86/93/16/720869316.db2.gz KJQIJAOYARURGI-APWZRJJASA-N 1 1 402.470 2.582 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nccc(Oc4ccc(F)cc4)n3)CC[C@@H]2C1 ZINC001164862196 720880426 /nfs/dbraw/zinc/88/04/26/720880426.db2.gz RGAPVUMFSQYDGQ-APWZRJJASA-N 1 1 402.470 2.582 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nccc(Oc4ccc(F)cc4)n3)CC[C@H]2C1 ZINC001164862198 720880608 /nfs/dbraw/zinc/88/06/08/720880608.db2.gz RGAPVUMFSQYDGQ-LPHOPBHVSA-N 1 1 402.470 2.582 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncc(Cl)nc3-c3ccccc3)CC[C@@H]2C1 ZINC001164860443 720881490 /nfs/dbraw/zinc/88/14/90/720881490.db2.gz ONSXUNMIEFICFJ-QZTJIDSGSA-N 1 1 402.926 2.971 20 0 HFADMO CCN(c1ccccc1)c1cc(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)ncn1 ZINC001164853396 720883932 /nfs/dbraw/zinc/88/39/32/720883932.db2.gz CMOZIVZPXCREJS-PZJWPPBQSA-N 1 1 411.550 2.808 20 0 HFADMO CCN(c1ccccc1)c1cc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@H]3C2)ncn1 ZINC001164853394 720884276 /nfs/dbraw/zinc/88/42/76/720884276.db2.gz CMOZIVZPXCREJS-CTNGQTDRSA-N 1 1 411.550 2.808 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nccc(SCc4ccccc4)n3)CC[C@H]2C1 ZINC001164857406 720885440 /nfs/dbraw/zinc/88/54/40/720885440.db2.gz JNAJPLJGENMEIV-PMACEKPBSA-N 1 1 414.575 2.942 20 0 HFADMO COCc1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755949 720887128 /nfs/dbraw/zinc/88/71/28/720887128.db2.gz NQIJYVMVALEGNW-XUZZJYLKSA-N 1 1 423.561 2.773 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nnc(-c4ccccc4F)cc3C)CC[C@H]2C1 ZINC001164853867 720887182 /nfs/dbraw/zinc/88/71/82/720887182.db2.gz DHDMFMBQLGEUOM-LAUBAEHRSA-N 1 1 400.498 2.765 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nnc(-c4cccc(F)c4)cc3C)CC[C@@H]2C1 ZINC001164856742 720887915 /nfs/dbraw/zinc/88/79/15/720887915.db2.gz JDBSONJEFXVHAX-NQIIRXRSSA-N 1 1 400.498 2.765 20 0 HFADMO CCOc1ccc(C(=O)OC)c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164863534 720972978 /nfs/dbraw/zinc/97/29/78/720972978.db2.gz WBERKGWTCDHROO-HNNXBMFYSA-N 1 1 401.511 2.885 20 0 HFADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nnc(Cl)c3c1N(C)CCO3)[C@H]2C ZINC001164859802 720992004 /nfs/dbraw/zinc/99/20/04/720992004.db2.gz MRZYHAPJZWDFML-ZDUSSCGKSA-N 1 1 405.934 2.577 20 0 HFADMO FC(F)(c1nc(Cl)cc(Cl)n1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164864006 721031270 /nfs/dbraw/zinc/03/12/70/721031270.db2.gz WFDMVZOEWIPLPZ-UHFFFAOYSA-N 1 1 414.247 2.832 20 0 HFADMO Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3c2cc(OC3CC[NH+](C)CC3)ccn2)n1 ZINC001164771975 721056007 /nfs/dbraw/zinc/05/60/07/721056007.db2.gz NZKXYPXYYAFZTF-VXKWHMMOSA-N 1 1 421.545 2.638 20 0 HFADMO CC1(C)OCc2c1nc(Cl)nc2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869985 721070369 /nfs/dbraw/zinc/07/03/69/721070369.db2.gz VBMQSTVLWWXUJI-HOTGVXAUSA-N 1 1 415.925 2.770 20 0 HFADMO c1ccc(COc2cnnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2)cc1 ZINC001164864838 721102523 /nfs/dbraw/zinc/10/25/23/721102523.db2.gz GSBWWHNFGNWDEB-JTHBVZDNSA-N 1 1 417.513 2.930 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4COC5(C)C)C[C@@H]3C2)cn1 ZINC001164768363 721103071 /nfs/dbraw/zinc/10/30/71/721103071.db2.gz NAPUBYFOEYHQNP-CABCVRRESA-N 1 1 402.930 2.587 20 0 HFADMO CCOC(=O)/C=C\c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164865316 721111402 /nfs/dbraw/zinc/11/14/02/721111402.db2.gz JUWLWMSNFHZUPF-MDCAWNJWSA-N 1 1 408.502 2.533 20 0 HFADMO CCCN(CCC)c1cncc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865151 721117083 /nfs/dbraw/zinc/11/70/83/721117083.db2.gz IUAANEQOIUDHFB-NHCUHLMSSA-N 1 1 410.566 2.978 20 0 HFADMO c1ccc(COc2cnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)cn2)cc1 ZINC001164863726 721120709 /nfs/dbraw/zinc/12/07/09/721120709.db2.gz DALKTZPPZICYGZ-FGZHOGPDSA-N 1 1 417.513 2.930 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nccc(OCc5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164767329 721129356 /nfs/dbraw/zinc/12/93/56/721129356.db2.gz MUGBWITZOWFZDB-NHCUHLMSSA-N 1 1 404.518 2.747 20 0 HFADMO CC1CCN(c2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)CC1 ZINC001164877651 721150426 /nfs/dbraw/zinc/15/04/26/721150426.db2.gz POKVEQCTTURBDF-RTWAWAEBSA-N 1 1 408.550 2.588 20 0 HFADMO COc1cc2ccc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nc2cc1OC ZINC001164763451 721155926 /nfs/dbraw/zinc/15/59/26/721155926.db2.gz GBQPUVBUEDHUGR-MOPGFXCFSA-N 1 1 407.518 2.944 20 0 HFADMO Cc1nc(-c2ccncc2)cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164876520 721161638 /nfs/dbraw/zinc/16/16/38/721161638.db2.gz MZWOOWGUOXZKBK-LEWJYISDSA-N 1 1 402.502 2.722 20 0 HFADMO COc1cccc(-c2ccnc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)n2)c1 ZINC001164773827 721167013 /nfs/dbraw/zinc/16/70/13/721167013.db2.gz XIVVKWLFHOQMST-UXHICEINSA-N 1 1 404.518 2.844 20 0 HFADMO CN(C)c1ccc(-c2ccnc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)cc1 ZINC001164774374 721178801 /nfs/dbraw/zinc/17/88/01/721178801.db2.gz YTAOVMDRVMRVRI-NHCUHLMSSA-N 1 1 417.561 2.901 20 0 HFADMO COC(=O)c1cc(Cl)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1C ZINC001164873669 721183441 /nfs/dbraw/zinc/18/34/41/721183441.db2.gz JWRAIRQWAPNGLO-IRXDYDNUSA-N 1 1 416.909 2.705 20 0 HFADMO COC(=O)C[C@H](c1ccnc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1)C1CC1 ZINC001164762732 721190769 /nfs/dbraw/zinc/19/07/69/721190769.db2.gz DMZUGBLZUCURIP-VSKRKVRLSA-N 1 1 423.561 2.830 20 0 HFADMO COc1cc(C)c2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164867891 721197142 /nfs/dbraw/zinc/19/71/42/721197142.db2.gz IYMKVDJNZCUMTI-UYAOXDASSA-N 1 1 405.502 2.822 20 0 HFADMO CC1CCN(C(=O)c2ccc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nc2)CC1 ZINC001164766997 721198177 /nfs/dbraw/zinc/19/81/77/721198177.db2.gz JVEMCBCTVWTSQQ-YADHBBJMSA-N 1 1 422.577 2.646 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4c5c(nnc4Cl)CCC5)C[C@H]3C2)cn1 ZINC001164764287 721206071 /nfs/dbraw/zinc/20/60/71/721206071.db2.gz GZUNHKRVABYRLR-HUUCEWRRSA-N 1 1 422.911 2.855 20 0 HFADMO CC(C)c1noc(-c2ccnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2)n1 ZINC001164773824 721223017 /nfs/dbraw/zinc/22/30/17/721223017.db2.gz XFGKEVMIBUPZMX-RBUKOAKNSA-N 1 1 407.522 2.947 20 0 HFADMO Cc1nc(-c2ccccn2)nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1C ZINC001164774450 721223678 /nfs/dbraw/zinc/22/36/78/721223678.db2.gz ZKIOKTLLPMFHAF-VQTJNVASSA-N 1 1 403.534 2.847 20 0 HFADMO COC(=O)c1cccc2nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)ccc21 ZINC001164770816 721225221 /nfs/dbraw/zinc/22/52/21/721225221.db2.gz OOHHQIMOEYBMBA-ZWKOTPCHSA-N 1 1 405.502 2.713 20 0 HFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3OCCN(c4cnccn4)[C@H]3C2)nc1 ZINC001164769332 721266116 /nfs/dbraw/zinc/26/61/16/721266116.db2.gz XMUMXKINKFCRNG-HKBOAZHASA-N 1 1 408.550 2.903 20 0 HFADMO CCN(C)c1ccnc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164778838 721330916 /nfs/dbraw/zinc/33/09/16/721330916.db2.gz ZCQUUTPXYCQLKZ-JOCHJYFZSA-N 1 1 414.554 2.657 20 0 HFADMO CCN(C)c1ccnc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164778838 721330919 /nfs/dbraw/zinc/33/09/19/721330919.db2.gz ZCQUUTPXYCQLKZ-JOCHJYFZSA-N 1 1 414.554 2.657 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(NC4CC4)n3)C2)C1 ZINC001164777047 721331004 /nfs/dbraw/zinc/33/10/04/721331004.db2.gz KZSKPWAUWQJCLM-JOCHJYFZSA-N 1 1 412.538 2.775 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nccc(NC4CC4)n3)C2)C1 ZINC001164777047 721331009 /nfs/dbraw/zinc/33/10/09/721331009.db2.gz KZSKPWAUWQJCLM-JOCHJYFZSA-N 1 1 412.538 2.775 20 0 HFADMO CSc1nccc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164778455 721333406 /nfs/dbraw/zinc/33/34/06/721333406.db2.gz XCYWDOXXGNXSBQ-HXUWFJFHSA-N 1 1 403.552 2.922 20 0 HFADMO CSc1nccc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164778455 721333411 /nfs/dbraw/zinc/33/34/11/721333411.db2.gz XCYWDOXXGNXSBQ-HXUWFJFHSA-N 1 1 403.552 2.922 20 0 HFADMO O=C(NCC1CC1)[C@@]12CCO[C@H]1CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164887496 721342899 /nfs/dbraw/zinc/34/28/99/721342899.db2.gz UYSCGDVLENRGST-PGRDOPGGSA-N 1 1 418.969 2.842 20 0 HFADMO COc1cnnc(Cl)c1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164776839 721349630 /nfs/dbraw/zinc/34/96/30/721349630.db2.gz DEUIWBWUAXZINU-HXUWFJFHSA-N 1 1 421.929 2.862 20 0 HFADMO COc1cnnc(Cl)c1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164776839 721349634 /nfs/dbraw/zinc/34/96/34/721349634.db2.gz DEUIWBWUAXZINU-HXUWFJFHSA-N 1 1 421.929 2.862 20 0 HFADMO CSc1ccc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nn1 ZINC001164787800 721366633 /nfs/dbraw/zinc/36/66/33/721366633.db2.gz ZXDAQTBFTYZTBE-FQEVSTJZSA-N 1 1 403.552 2.922 20 0 HFADMO CSc1ccc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nn1 ZINC001164787800 721366637 /nfs/dbraw/zinc/36/66/37/721366637.db2.gz ZXDAQTBFTYZTBE-FQEVSTJZSA-N 1 1 403.552 2.922 20 0 HFADMO CSc1cncc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164786133 721369560 /nfs/dbraw/zinc/36/95/60/721369560.db2.gz WLRDLRYOGUYMKF-HXUWFJFHSA-N 1 1 403.552 2.922 20 0 HFADMO CSc1cncc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164786133 721369563 /nfs/dbraw/zinc/36/95/63/721369563.db2.gz WLRDLRYOGUYMKF-HXUWFJFHSA-N 1 1 403.552 2.922 20 0 HFADMO COc1nc(C)nc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1C ZINC001164784591 721373262 /nfs/dbraw/zinc/37/32/62/721373262.db2.gz QNMPGJQULRGYPA-JOCHJYFZSA-N 1 1 415.538 2.826 20 0 HFADMO COc1nc(C)nc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1C ZINC001164784591 721373265 /nfs/dbraw/zinc/37/32/65/721373265.db2.gz QNMPGJQULRGYPA-JOCHJYFZSA-N 1 1 415.538 2.826 20 0 HFADMO Cc1nc2sccc2c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164888595 721379002 /nfs/dbraw/zinc/37/90/02/721379002.db2.gz KHBRPCLDRQNONH-LAUBAEHRSA-N 1 1 401.580 2.765 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)ncc4Cl)C3)O2)CC1 ZINC001164888509 721385396 /nfs/dbraw/zinc/38/53/96/721385396.db2.gz JPXUIZBMLTUWMW-KSSFIOAISA-N 1 1 400.354 2.549 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(Cl)nc(C5CC5)n4)C3)O2)CC1 ZINC001164888600 721388486 /nfs/dbraw/zinc/38/84/86/721388486.db2.gz KIYCZTOLXZUJHF-DYESRHJHSA-N 1 1 405.974 2.773 20 0 HFADMO CCOc1ccc(Cl)nc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164891156 721417797 /nfs/dbraw/zinc/41/77/97/721417797.db2.gz VHVXBLXCTQWIBQ-UWJYYQICSA-N 1 1 408.974 2.899 20 0 HFADMO CCOC(=O)c1cc2ncnc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c2s1 ZINC001164788238 721418925 /nfs/dbraw/zinc/41/89/25/721418925.db2.gz RNABHHPBXZCYCI-CHWSQXEVSA-N 1 1 415.544 2.893 20 0 HFADMO Cc1cc(NC(=O)c2cccnc2N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)no1 ZINC001164780926 721424285 /nfs/dbraw/zinc/42/42/85/721424285.db2.gz BPOAWIYXFVATPE-GJZGRUSLSA-N 1 1 410.503 2.655 20 0 HFADMO C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)nc2)C1 ZINC001164783708 721425804 /nfs/dbraw/zinc/42/58/04/721425804.db2.gz JNJBRFJZGFAIGO-NEWSRXKRSA-N 1 1 411.575 2.978 20 0 HFADMO c1csc(C[N@H+]2C[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)C[C@H]3C2)n1 ZINC001164782058 721427362 /nfs/dbraw/zinc/42/73/62/721427362.db2.gz FLJMBRREMMVTBG-CALCHBBNSA-N 1 1 421.526 2.940 20 0 HFADMO c1csc(C[N@@H+]2C[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)C[C@H]3C2)n1 ZINC001164782058 721427363 /nfs/dbraw/zinc/42/73/63/721427363.db2.gz FLJMBRREMMVTBG-CALCHBBNSA-N 1 1 421.526 2.940 20 0 HFADMO CSc1ncc(Cl)nc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164895780 721430992 /nfs/dbraw/zinc/43/09/92/721430992.db2.gz PLILZNPFQGAQJK-BEFAXECRSA-N 1 1 412.003 2.617 20 0 HFADMO Cc1cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(-c2ccccn2)n1 ZINC001164894288 721432382 /nfs/dbraw/zinc/43/23/82/721432382.db2.gz LJVJPGLAIKTOGR-YKSBVNFPSA-N 1 1 422.577 2.612 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cnc(-c5ccccc5)cn4)C3)O2)CC1 ZINC001164896068 721434240 /nfs/dbraw/zinc/43/42/40/721434240.db2.gz QJYVPWMNXUYENC-ZJSXRUAMSA-N 1 1 407.562 2.909 20 0 HFADMO Cc1nc(-c2ccncc2)cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164896712 721440555 /nfs/dbraw/zinc/44/05/55/721440555.db2.gz RUVAPWGOCJIISZ-XUZZJYLKSA-N 1 1 422.577 2.612 20 0 HFADMO CCN(C)c1ccnc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164784976 721448476 /nfs/dbraw/zinc/44/84/76/721448476.db2.gz FZGPQELHTRAJSK-HXUWFJFHSA-N 1 1 417.598 2.667 20 0 HFADMO CCc1nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c(Cl)nc1C ZINC001164886563 721451792 /nfs/dbraw/zinc/45/17/92/721451792.db2.gz HHGYERHFAZIJAC-UWJYYQICSA-N 1 1 407.990 2.766 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cnccc31)CC2 ZINC001164789325 721453074 /nfs/dbraw/zinc/45/30/74/721453074.db2.gz UUAPJJNGKXPTGA-LJQANCHMSA-N 1 1 411.550 2.759 20 0 HFADMO CCOC(=O)c1cnc(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900113 721510681 /nfs/dbraw/zinc/51/06/81/721510681.db2.gz OFVGJCWIIXBDCF-GOEBONIOSA-N 1 1 420.872 2.788 20 0 HFADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4ncnc5cc6c(cc54)OCCO6)CC[N@H+]3C2)c1 ZINC001164902150 721518964 /nfs/dbraw/zinc/51/89/64/721518964.db2.gz ZRDTXIWMTOVVDH-AEFFLSMTSA-N 1 1 422.460 2.882 20 0 HFADMO COc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1NC(C)C ZINC001164795420 721524501 /nfs/dbraw/zinc/52/45/01/721524501.db2.gz OWSAGGYISCJPPS-CMKODMSKSA-N 1 1 412.538 2.569 20 0 HFADMO COc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1NC(C)C ZINC001164795420 721524503 /nfs/dbraw/zinc/52/45/03/721524503.db2.gz OWSAGGYISCJPPS-CMKODMSKSA-N 1 1 412.538 2.569 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(N3CCCCC3)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164794540 721524722 /nfs/dbraw/zinc/52/47/22/721524722.db2.gz FSKWUIHZDUJNAA-TXTKFYIRSA-N 1 1 408.550 2.730 20 0 HFADMO COCCn1ccc2c1ncnc2N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164906406 721538575 /nfs/dbraw/zinc/53/85/75/721538575.db2.gz KZSAJSCXCBYYEK-IEBWSBKVSA-N 1 1 411.481 2.559 20 0 HFADMO CC(C)c1nc(N(C)C)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164911537 721541539 /nfs/dbraw/zinc/54/15/39/721541539.db2.gz XCOTXHYAYHONDB-FUHWJXTLSA-N 1 1 400.502 2.542 20 0 HFADMO COC(=O)c1c[nH]c2nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)ccc12 ZINC001164810618 721543035 /nfs/dbraw/zinc/54/30/35/721543035.db2.gz XKUSSDAHVOOXDG-DYXWJJEUSA-N 1 1 421.501 2.613 20 0 HFADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4ncc5ncnc(Cl)c5n4)CC[N@H+]3C2)c1 ZINC001164910228 721544754 /nfs/dbraw/zinc/54/47/54/721544754.db2.gz TVTXTXYRQDWBPX-DZGCQCFKSA-N 1 1 400.845 2.554 20 0 HFADMO COC(=O)c1cc2c[nH]c(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)cc-2n1 ZINC001164910368 721548655 /nfs/dbraw/zinc/54/86/55/721548655.db2.gz UMIMVTYCHPVIJD-AEFFLSMTSA-N 1 1 410.449 2.831 20 0 HFADMO CCOC(=O)c1ncnc(Cl)c1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164908164 721550412 /nfs/dbraw/zinc/55/04/12/721550412.db2.gz PICDRKCGAIBWLA-HOCLYGCPSA-N 1 1 420.872 2.788 20 0 HFADMO COC(=O)c1c(C)cc(C)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164807836 721551462 /nfs/dbraw/zinc/55/14/62/721551462.db2.gz RMJKCKYPEMTIDM-ZJOUEHCJSA-N 1 1 410.518 2.748 20 0 HFADMO COC(=O)c1c(C)cc(C)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164807836 721551465 /nfs/dbraw/zinc/55/14/65/721551465.db2.gz RMJKCKYPEMTIDM-ZJOUEHCJSA-N 1 1 410.518 2.748 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ncccc3nc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164804552 721552439 /nfs/dbraw/zinc/55/24/39/721552439.db2.gz KFRASMZCAUYBMK-RCCFBDPRSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ncccc3nc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164804552 721552443 /nfs/dbraw/zinc/55/24/43/721552443.db2.gz KFRASMZCAUYBMK-RCCFBDPRSA-N 1 1 410.909 2.941 20 0 HFADMO COC(=O)c1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ccc1Cl ZINC001164806623 721552732 /nfs/dbraw/zinc/55/27/32/721552732.db2.gz PIGIVJNNFAEYMV-UWVAXJGDSA-N 1 1 416.909 2.785 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3cccnc32)[C@@H]2CCCO[C@H]21 ZINC001164803199 721555813 /nfs/dbraw/zinc/55/58/13/721555813.db2.gz JSUCWKLGPKYNOI-ZHALLVOQSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3cccnc32)[C@@H]2CCCO[C@H]21 ZINC001164803199 721555815 /nfs/dbraw/zinc/55/58/15/721555815.db2.gz JSUCWKLGPKYNOI-ZHALLVOQSA-N 1 1 410.909 2.941 20 0 HFADMO COc1ccc2nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)ncc2c1 ZINC001164809411 721558675 /nfs/dbraw/zinc/55/86/75/721558675.db2.gz XDSIHAXWHZAICY-BHIFYINESA-N 1 1 405.502 2.902 20 0 HFADMO COc1ccc2nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)ncc2c1 ZINC001164809411 721558678 /nfs/dbraw/zinc/55/86/78/721558678.db2.gz XDSIHAXWHZAICY-BHIFYINESA-N 1 1 405.502 2.902 20 0 HFADMO CCOc1c(Cl)ncnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164804030 721559395 /nfs/dbraw/zinc/55/93/95/721559395.db2.gz KULTVFKERFJLEG-ULQDDVLXSA-N 1 1 403.914 2.792 20 0 HFADMO CCOc1c(Cl)ncnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164804030 721559399 /nfs/dbraw/zinc/55/93/99/721559399.db2.gz KULTVFKERFJLEG-ULQDDVLXSA-N 1 1 403.914 2.792 20 0 HFADMO CCOC(=O)c1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ncc1C ZINC001164801806 721559422 /nfs/dbraw/zinc/55/94/22/721559422.db2.gz HHNVYNMBASBMBY-ONTIZHBOSA-N 1 1 410.518 2.830 20 0 HFADMO CN1CCc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2C1 ZINC001164903554 721564442 /nfs/dbraw/zinc/56/44/42/721564442.db2.gz CHATWEZKYGTUPO-RDJZCZTQSA-N 1 1 417.916 2.599 20 0 HFADMO [O-][n+]1ccc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1Cl ZINC001164911282 721566980 /nfs/dbraw/zinc/56/69/80/721566980.db2.gz YNIRAFBPPHDNNA-WBVHZDCISA-N 1 1 413.827 2.999 20 0 HFADMO CCNC(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164908579 721722743 /nfs/dbraw/zinc/72/27/43/721722743.db2.gz YFVSWCOZXDBOOS-NRFANRHFSA-N 1 1 415.488 2.964 20 0 HFADMO COCCOc1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164912770 721725886 /nfs/dbraw/zinc/72/58/86/721725886.db2.gz QABZPWURFZQPOT-HXUWFJFHSA-N 1 1 419.476 2.635 20 0 HFADMO Cc1cc(C(N)=O)cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912782 721736245 /nfs/dbraw/zinc/73/62/45/721736245.db2.gz QBQOLHFIRLEPQT-FQEVSTJZSA-N 1 1 401.461 2.622 20 0 HFADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3C[C@H](OCC4CC4)[C@H]4COC[C@H]43)C2)cc1 ZINC001165013816 721761508 /nfs/dbraw/zinc/76/15/08/721761508.db2.gz AMNLOXNKJLLEJM-WWNPGLIZSA-N 1 1 406.530 2.665 20 0 HFADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3C[C@H](OCC4CC4)[C@H]4COC[C@H]43)C2)cc1 ZINC001165013816 721761510 /nfs/dbraw/zinc/76/15/10/721761510.db2.gz AMNLOXNKJLLEJM-WWNPGLIZSA-N 1 1 406.530 2.665 20 0 HFADMO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026357 721803979 /nfs/dbraw/zinc/80/39/79/721803979.db2.gz QYXKCQAIYIRMOS-QKYXUNIQSA-N 1 1 420.517 2.828 20 0 HFADMO COC(=O)c1cc2c(ncnc2N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH]1 ZINC001165026357 721803981 /nfs/dbraw/zinc/80/39/81/721803981.db2.gz QYXKCQAIYIRMOS-QKYXUNIQSA-N 1 1 420.517 2.828 20 0 HFADMO COC(=O)c1cc2c(ncnc2N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH]1 ZINC001165026357 721803984 /nfs/dbraw/zinc/80/39/84/721803984.db2.gz QYXKCQAIYIRMOS-QKYXUNIQSA-N 1 1 420.517 2.828 20 0 HFADMO CN1CCN(c2cccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)n2)CC1 ZINC001165025894 721817532 /nfs/dbraw/zinc/81/75/32/721817532.db2.gz ODNWZCDBFWMQMM-ACIOBRDBSA-N 1 1 420.605 2.965 20 0 HFADMO CN1CCN(c2cccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)n2)CC1 ZINC001165025894 721817534 /nfs/dbraw/zinc/81/75/34/721817534.db2.gz ODNWZCDBFWMQMM-ACIOBRDBSA-N 1 1 420.605 2.965 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(S(C)(=O)=O)cn3)C[C@@H]21 ZINC001165022355 721821421 /nfs/dbraw/zinc/82/14/21/721821421.db2.gz GXZLRHQFCHOMEP-LSTHTHJFSA-N 1 1 400.548 2.617 20 0 HFADMO C[NH+]1CCC(Oc2ccnc(N3C[C@@H]4COC[C@]4(COCc4ccccn4)C3)c2)CC1 ZINC001164923232 721840592 /nfs/dbraw/zinc/84/05/92/721840592.db2.gz UGIUVURHFUYCBA-DVECYGJZSA-N 1 1 424.545 2.619 20 0 HFADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c2c1 ZINC001164921921 721876426 /nfs/dbraw/zinc/87/64/26/721876426.db2.gz DUFCNIDZVGXXHB-ROUUACIJSA-N 1 1 417.941 2.675 20 0 HFADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4CCN(C)C)c2c1 ZINC001164921921 721876428 /nfs/dbraw/zinc/87/64/28/721876428.db2.gz DUFCNIDZVGXXHB-ROUUACIJSA-N 1 1 417.941 2.675 20 0 HFADMO COc1ccc2cc[nH+]c(N3CCC4(CC3)COCCN4Cc3ccn(C)n3)c2c1 ZINC001164936127 721907121 /nfs/dbraw/zinc/90/71/21/721907121.db2.gz KGPHFYSZUUXCHJ-UHFFFAOYSA-N 1 1 407.518 2.848 20 0 HFADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncnc3nc(Cl)ccc31)CC2 ZINC001164944116 721970929 /nfs/dbraw/zinc/97/09/29/721970929.db2.gz GOIVGYRJCRTESC-UHFFFAOYSA-N 1 1 422.920 2.649 20 0 HFADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncnc3nc(Cl)ccc31)CC2 ZINC001164944116 721970930 /nfs/dbraw/zinc/97/09/30/721970930.db2.gz GOIVGYRJCRTESC-UHFFFAOYSA-N 1 1 422.920 2.649 20 0 HFADMO CC(C)n1ccc2c1nc[nH+]c2N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001164946081 721977558 /nfs/dbraw/zinc/97/75/58/721977558.db2.gz JLPJXSJFCBVCJW-UHFFFAOYSA-N 1 1 418.545 2.983 20 0 HFADMO c1cncc(C[N@H+]2CCC3(C2)CCN(c2cc(N4CCSCC4)ncn2)CC3)c1 ZINC001164959872 722023634 /nfs/dbraw/zinc/02/36/34/722023634.db2.gz JGEVJSJNLCBHGY-UHFFFAOYSA-N 1 1 410.591 2.917 20 0 HFADMO Cc1noc(C[C@@H]2C[C@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)C[C@@H]3O2)n1 ZINC001164964348 722041287 /nfs/dbraw/zinc/04/12/87/722041287.db2.gz UHEAGGSDIDXXBE-ULQDDVLXSA-N 1 1 403.914 2.859 20 0 HFADMO COc1nc(Cl)nc(C)c1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164962298 722056297 /nfs/dbraw/zinc/05/62/97/722056297.db2.gz CTPWLESRXWUONP-UHFFFAOYSA-N 1 1 417.941 2.961 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCn3c(Cn4cccn4)nnc3C2)nc1 ZINC001164973369 722089143 /nfs/dbraw/zinc/08/91/43/722089143.db2.gz JVGADZYACSZGMK-LJQANCHMSA-N 1 1 406.538 2.875 20 0 HFADMO CCOC(=O)c1ccc(C)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977252 722098960 /nfs/dbraw/zinc/09/89/60/722098960.db2.gz FKGVRFONTDBLIA-CTNGQTDRSA-N 1 1 410.518 2.689 20 0 HFADMO COC(=O)c1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164984276 722099483 /nfs/dbraw/zinc/09/94/83/722099483.db2.gz RWJZJMXMSHLTOF-QFBILLFUSA-N 1 1 416.909 2.644 20 0 HFADMO COC(=O)c1ccc(Cl)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974559 722099938 /nfs/dbraw/zinc/09/99/38/722099938.db2.gz AGOFBYFIXNDYFU-AEFFLSMTSA-N 1 1 416.909 2.644 20 0 HFADMO CCOC(=O)c1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1C ZINC001164972487 722122584 /nfs/dbraw/zinc/12/25/84/722122584.db2.gz FRYLJFQSSPPORB-CTNGQTDRSA-N 1 1 410.518 2.689 20 0 HFADMO COc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc2ccccc21 ZINC001164973040 722124867 /nfs/dbraw/zinc/12/48/67/722124867.db2.gz GDJRDZYAJFEYTQ-NQIIRXRSSA-N 1 1 405.502 2.761 20 0 HFADMO Clc1cnc2c(c1)ncnc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981986 722125931 /nfs/dbraw/zinc/12/59/31/722125931.db2.gz VLIBYTVZXMBPNS-QFBILLFUSA-N 1 1 410.909 2.801 20 0 HFADMO FC(F)(c1nccnc1Cl)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978066 722136245 /nfs/dbraw/zinc/13/62/45/722136245.db2.gz JMEKBMMCVJWIFY-JKSUJKDBSA-N 1 1 409.868 2.797 20 0 HFADMO Cc1nc(CN2CCO[C@H]3CCN(c4nc(N5CCCC5)cc[nH+]4)CC[C@@H]32)cs1 ZINC001164985627 722173412 /nfs/dbraw/zinc/17/34/12/722173412.db2.gz IEDVEGIDCCOHCX-OALUTQOASA-N 1 1 414.579 2.712 20 0 HFADMO C[C@H](CCNC(=O)C(=O)Nc1cccc(Br)n1)[N@@H+](C)Cc1ccccc1 ZINC000792997907 1078044697 /nfs/dbraw/zinc/04/46/97/1078044697.db2.gz NLJSFVXVKCRPLV-CQSZACIVSA-N 1 1 419.323 2.809 20 0 HFADMO COCCN1[C@H]2CC[N@H+]([C@H]3CC[C@@H](C)C3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001170139015 1078049359 /nfs/dbraw/zinc/04/93/59/1078049359.db2.gz TVGSIFWRMWJHFU-XWSJACJDSA-N 1 1 408.564 2.738 20 0 HFADMO CO[C@@H]1CC[N@H+](CC(=O)Nc2cccc(I)c2)CC1(C)C ZINC001170424702 1078051668 /nfs/dbraw/zinc/05/16/68/1078051668.db2.gz PEDZOTQVPAWGFQ-CQSZACIVSA-N 1 1 402.276 2.977 20 0 HFADMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(I)c2)CC1(C)C ZINC001170424702 1078051673 /nfs/dbraw/zinc/05/16/73/1078051673.db2.gz PEDZOTQVPAWGFQ-CQSZACIVSA-N 1 1 402.276 2.977 20 0 HFADMO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1cnn(Cc2ccccc2)c1Cl ZINC000790529801 1078051694 /nfs/dbraw/zinc/05/16/94/1078051694.db2.gz FAGSNTKAUCEEFH-UHFFFAOYSA-N 1 1 418.950 2.794 20 0 HFADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C[C@H](O)c3cccc(F)c3)cc2)CC1 ZINC000772756199 1078052163 /nfs/dbraw/zinc/05/21/63/1078052163.db2.gz GXLOGDOUZHVWRF-NRFANRHFSA-N 1 1 413.493 2.595 20 0 HFADMO O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[C@H]1CC(c2cccnc2)=NO1 ZINC000790549074 1078053735 /nfs/dbraw/zinc/05/37/35/1078053735.db2.gz ULASNNPLQDXMDH-JOCHJYFZSA-N 1 1 419.485 2.500 20 0 HFADMO O=C(Nc1cccc(F)n1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000793071640 1078062536 /nfs/dbraw/zinc/06/25/36/1078062536.db2.gz IYJAHVDBAWSNST-VQTJNVASSA-N 1 1 418.472 2.944 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cn1 ZINC000793084602 1078064166 /nfs/dbraw/zinc/06/41/66/1078064166.db2.gz BTAJLLSQJYNBSR-SUMWQHHRSA-N 1 1 408.289 2.557 20 0 HFADMO CC(C)n1nccc1C[N@@H+]1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000793087300 1078065351 /nfs/dbraw/zinc/06/53/51/1078065351.db2.gz HCCUOWGSNMPFCX-KRWDZBQOSA-N 1 1 407.559 2.850 20 0 HFADMO CC(C)n1nccc1C[N@H+]1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000793087300 1078065353 /nfs/dbraw/zinc/06/53/53/1078065353.db2.gz HCCUOWGSNMPFCX-KRWDZBQOSA-N 1 1 407.559 2.850 20 0 HFADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793121255 1078070395 /nfs/dbraw/zinc/07/03/95/1078070395.db2.gz RUOPVYLYYZSZHE-RYGJVYDSSA-N 1 1 421.501 2.536 20 0 HFADMO Cc1nn(C)c(C)c1[C@H](C)C(=O)OCC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000746933369 1078071590 /nfs/dbraw/zinc/07/15/90/1078071590.db2.gz CSLGFNGNGYKUFK-FUHWJXTLSA-N 1 1 412.534 2.589 20 0 HFADMO CC[N@H+]1CCC[C@H]1CNC(=S)Nc1cc(F)ccc1N1CCCN(C(C)=O)CC1 ZINC000790611680 1078075483 /nfs/dbraw/zinc/07/54/83/1078075483.db2.gz ACVASJPHXZHYBY-SFHVURJKSA-N 1 1 421.586 2.655 20 0 HFADMO O=C(NCc1c[nH+]c2n1CCCC2)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000793108408 1078080823 /nfs/dbraw/zinc/08/08/23/1078080823.db2.gz KEPIFQYVPWXDSC-UHFFFAOYSA-N 1 1 401.898 2.728 20 0 HFADMO C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(N3CCCC3)c(F)c2)C[C@@H]1Cc1ccccc1 ZINC000793109666 1078081294 /nfs/dbraw/zinc/08/12/94/1078081294.db2.gz XHSDGTRNLBNZHJ-FQEVSTJZSA-N 1 1 424.520 2.750 20 0 HFADMO C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(N3CCCC3)c(F)c2)C[C@@H]1Cc1ccccc1 ZINC000793109666 1078081299 /nfs/dbraw/zinc/08/12/99/1078081299.db2.gz XHSDGTRNLBNZHJ-FQEVSTJZSA-N 1 1 424.520 2.750 20 0 HFADMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C ZINC000790665068 1078083100 /nfs/dbraw/zinc/08/31/00/1078083100.db2.gz YDRUMRDGBFARAF-KRWDZBQOSA-N 1 1 404.555 2.718 20 0 HFADMO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000772827115 1078084557 /nfs/dbraw/zinc/08/45/57/1078084557.db2.gz HBZRSNWXUCULGY-RZTXVSJASA-N 1 1 422.573 2.849 20 0 HFADMO COCC1(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793167647 1078089429 /nfs/dbraw/zinc/08/94/29/1078089429.db2.gz HALBZZKMIIFZBK-MSOLQXFVSA-N 1 1 411.587 2.887 20 0 HFADMO O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CC(c2cccnc2)=NO1 ZINC000790641710 1078090356 /nfs/dbraw/zinc/09/03/56/1078090356.db2.gz ADNOHFSTNGYDPP-IEBWSBKVSA-N 1 1 418.419 2.984 20 0 HFADMO O=C1C(=O)N(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c2cccc(Br)c21 ZINC000772829446 1078094586 /nfs/dbraw/zinc/09/45/86/1078094586.db2.gz RZKQOEMYYOEACY-XJKSGUPXSA-N 1 1 418.335 2.885 20 0 HFADMO O=C1C(=O)N(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c2cccc(Br)c21 ZINC000772829173 1078106464 /nfs/dbraw/zinc/10/64/64/1078106464.db2.gz RZKQOEMYYOEACY-CZUORRHYSA-N 1 1 418.335 2.885 20 0 HFADMO CN(C[C@@H]1C[C@H](F)CN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)OC(C)(C)C ZINC000790754497 1078111151 /nfs/dbraw/zinc/11/11/51/1078111151.db2.gz QYWBKCQHDGLVDR-VGUREELVSA-N 1 1 412.550 2.991 20 0 HFADMO COCC1(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793275840 1078116307 /nfs/dbraw/zinc/11/63/07/1078116307.db2.gz PHRAIABWBCANQD-UHFFFAOYSA-N 1 1 411.587 2.983 20 0 HFADMO Cc1cc(C)c(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1I ZINC000793290817 1078119547 /nfs/dbraw/zinc/11/95/47/1078119547.db2.gz IAFWZSJQCQRUDK-KGLIPLIRSA-N 1 1 414.287 2.501 20 0 HFADMO C[N@H+]1CCC[C@H](NC(=O)N(CCNC(=O)OC(C)(C)C)CCc2ccccc2)C1 ZINC000790770528 1078124374 /nfs/dbraw/zinc/12/43/74/1078124374.db2.gz RLIOMNMUBCJRPM-IBGZPJMESA-N 1 1 404.555 2.860 20 0 HFADMO CC[C@H](C)CC[C@@H](O)CC(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000793336069 1078143353 /nfs/dbraw/zinc/14/33/53/1078143353.db2.gz XQZOUPFCLNHCHV-FUHWJXTLSA-N 1 1 402.539 2.953 20 0 HFADMO CN(C(=O)C(F)(F)C1CCOCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000790819325 1078154541 /nfs/dbraw/zinc/15/45/41/1078154541.db2.gz XCYRKVGPOUJMMW-OALUTQOASA-N 1 1 401.542 2.844 20 0 HFADMO COc1ccc([C@@H]2C[C@H]2NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000793383807 1078161614 /nfs/dbraw/zinc/16/16/14/1078161614.db2.gz JXIBMAKYEHRULL-KZKAQZJJSA-N 1 1 409.530 2.733 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793476227 1078185949 /nfs/dbraw/zinc/18/59/49/1078185949.db2.gz DJOBRZMKHCBWFU-AABGKKOBSA-N 1 1 410.518 2.569 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000793476233 1078185963 /nfs/dbraw/zinc/18/59/63/1078185963.db2.gz DJOBRZMKHCBWFU-VAMGGRTRSA-N 1 1 410.518 2.569 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000793515592 1078197447 /nfs/dbraw/zinc/19/74/47/1078197447.db2.gz PERRSBZBJUUGJF-HNNXBMFYSA-N 1 1 404.515 2.502 20 0 HFADMO CC[NH+]1CCN(CCCCNC(=O)Cc2sc(SC(F)F)nc2C)CC1 ZINC000793494032 1078201200 /nfs/dbraw/zinc/20/12/00/1078201200.db2.gz RTTJQFFGCKYGER-UHFFFAOYSA-N 1 1 406.568 2.843 20 0 HFADMO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cnc(C(C)(C)C)nc2)C1 ZINC000793583568 1078214926 /nfs/dbraw/zinc/21/49/26/1078214926.db2.gz GCJSXPFLYSOLHL-QGZVFWFLSA-N 1 1 419.570 2.627 20 0 HFADMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2cccc(I)c2)C1 ZINC000793592117 1078217689 /nfs/dbraw/zinc/21/76/89/1078217689.db2.gz OEJIUENIKAMCMV-GOEBONIOSA-N 1 1 411.287 2.970 20 0 HFADMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2cccc(I)c2)C1 ZINC000793592117 1078217692 /nfs/dbraw/zinc/21/76/92/1078217692.db2.gz OEJIUENIKAMCMV-GOEBONIOSA-N 1 1 411.287 2.970 20 0 HFADMO COc1cc2c(cc1CN1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)O[C@H](C)C2 ZINC000793603938 1078221973 /nfs/dbraw/zinc/22/19/73/1078221973.db2.gz MWVGTVFNXSZMNA-CRAIPNDOSA-N 1 1 405.539 2.659 20 0 HFADMO COc1cc2c(cc1CN1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)O[C@H](C)C2 ZINC000793603938 1078221974 /nfs/dbraw/zinc/22/19/74/1078221974.db2.gz MWVGTVFNXSZMNA-CRAIPNDOSA-N 1 1 405.539 2.659 20 0 HFADMO COc1cc(CN2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)ccc1OC(F)F ZINC000793604194 1078221977 /nfs/dbraw/zinc/22/19/77/1078221977.db2.gz OVAMZLJMPZJOIE-OAHLLOKOSA-N 1 1 415.481 2.937 20 0 HFADMO COc1cc(CN2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)ccc1OC(F)F ZINC000793604194 1078221979 /nfs/dbraw/zinc/22/19/79/1078221979.db2.gz OVAMZLJMPZJOIE-OAHLLOKOSA-N 1 1 415.481 2.937 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@H]2OCC[C@@H](C(=O)NC3CC3)[C@H]2C1 ZINC001170435981 1078228940 /nfs/dbraw/zinc/22/89/40/1078228940.db2.gz DIQBQQFFENLVTO-UAFMIMERSA-N 1 1 400.519 2.742 20 0 HFADMO C[C@H](O)c1ccc(CNC(=O)C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000793630319 1078233025 /nfs/dbraw/zinc/23/30/25/1078233025.db2.gz KPTSCQHJSCIJTB-MOPGFXCFSA-N 1 1 415.578 2.859 20 0 HFADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCc1ccc([C@H](C)O)cc1 ZINC000793635949 1078236288 /nfs/dbraw/zinc/23/62/88/1078236288.db2.gz JDFCQCIIYDOGIB-SIKLNZKXSA-N 1 1 423.557 2.727 20 0 HFADMO CCC[C@H]1CN(C(=O)C(=O)NCc2ccc([C@@H](C)O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000793645297 1078239692 /nfs/dbraw/zinc/23/96/92/1078239692.db2.gz ALRJRRAYMIUNFR-XXBNENTESA-N 1 1 423.557 2.869 20 0 HFADMO CCC[C@H]1CN(C(=O)C(=O)NCc2ccc([C@@H](C)O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000793645297 1078239696 /nfs/dbraw/zinc/23/96/96/1078239696.db2.gz ALRJRRAYMIUNFR-XXBNENTESA-N 1 1 423.557 2.869 20 0 HFADMO C[C@@H](O)c1ccc(CNC(=O)C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000793651421 1078241415 /nfs/dbraw/zinc/24/14/15/1078241415.db2.gz MTNKVNZSYXACOU-KOSHJBKYSA-N 1 1 409.530 2.527 20 0 HFADMO C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CCN1C(=O)OC(C)(C)C ZINC000793665549 1078245265 /nfs/dbraw/zinc/24/52/65/1078245265.db2.gz TZRHKBKTPFBEQI-VJANTYMQSA-N 1 1 409.571 2.782 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000793683243 1078253367 /nfs/dbraw/zinc/25/33/67/1078253367.db2.gz BWBWROIILMEHLD-VAMGGRTRSA-N 1 1 401.551 2.683 20 0 HFADMO CCN(C(=O)C(=O)N[C@H](C)COc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793684930 1078255459 /nfs/dbraw/zinc/25/54/59/1078255459.db2.gz FPOPVRLBPLNPGJ-TZIWHRDSSA-N 1 1 409.530 2.693 20 0 HFADMO Cc1[nH+]ccn1CCCN(C)C(=O)c1csc(CCNC(=O)OC(C)(C)C)n1 ZINC000793710409 1078259870 /nfs/dbraw/zinc/25/98/70/1078259870.db2.gz ZLMGWUNGMMGVFI-UHFFFAOYSA-N 1 1 407.540 2.878 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C(=O)CC4(CCCCC4)C3=O)CC[C@@H]21 ZINC000793712805 1078261490 /nfs/dbraw/zinc/26/14/90/1078261490.db2.gz ZBDGCIYBPGVMRQ-SJORKVTESA-N 1 1 405.539 2.985 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C(=O)CC4(CCCCC4)C3=O)CC[C@@H]21 ZINC000793712805 1078261492 /nfs/dbraw/zinc/26/14/92/1078261492.db2.gz ZBDGCIYBPGVMRQ-SJORKVTESA-N 1 1 405.539 2.985 20 0 HFADMO CC(C)[NH+]1CCN(C2CCN(C(=O)[C@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)CC1 ZINC000793741674 1078287366 /nfs/dbraw/zinc/28/73/66/1078287366.db2.gz FLFFMTDSIBEXIP-LJQANCHMSA-N 1 1 422.614 2.649 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000793808643 1078302020 /nfs/dbraw/zinc/30/20/20/1078302020.db2.gz WASPESGDMBGGEX-OXQOHEQNSA-N 1 1 403.486 2.597 20 0 HFADMO CCN(Cc1ccc(Cl)cc1)C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000793802474 1078302789 /nfs/dbraw/zinc/30/27/89/1078302789.db2.gz NHTKVMMPARVWSX-UHFFFAOYSA-N 1 1 411.893 2.894 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC[C@@H]1c1ccccc1C ZINC000793803524 1078303368 /nfs/dbraw/zinc/30/33/68/1078303368.db2.gz CMTOIECKSFLAKC-HXUWFJFHSA-N 1 1 403.486 2.864 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NCC1(Sc2ccccc2)CC1 ZINC000793807502 1078305219 /nfs/dbraw/zinc/30/52/19/1078305219.db2.gz REQKSQOPRKBTKC-UHFFFAOYSA-N 1 1 421.526 2.633 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H](C)c1nc2ccccc2s1 ZINC000793806020 1078305330 /nfs/dbraw/zinc/30/53/30/1078305330.db2.gz JQNJCPACCNKQLP-ZDUSSCGKSA-N 1 1 420.498 2.679 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000793790819 1078298083 /nfs/dbraw/zinc/29/80/83/1078298083.db2.gz NYBIYSUPRAWQNE-GBESFXJTSA-N 1 1 401.551 2.648 20 0 HFADMO COc1ccccc1[C@@H]1CCCN1C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000793808584 1078305984 /nfs/dbraw/zinc/30/59/84/1078305984.db2.gz VSUBRNHACMYJTI-IBGZPJMESA-N 1 1 419.485 2.564 20 0 HFADMO CSC[C@H]1CCC[N@H+](CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)C1 ZINC000793794036 1078299725 /nfs/dbraw/zinc/29/97/25/1078299725.db2.gz ASQWHFKWWNITJN-HILYYZTDSA-N 1 1 405.564 2.779 20 0 HFADMO CSC[C@H]1CCC[N@@H+](CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)C1 ZINC000793794036 1078299728 /nfs/dbraw/zinc/29/97/28/1078299728.db2.gz ASQWHFKWWNITJN-HILYYZTDSA-N 1 1 405.564 2.779 20 0 HFADMO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793774901 1078308234 /nfs/dbraw/zinc/30/82/34/1078308234.db2.gz XPUPWEOPIFGWBC-IRLDBZIGSA-N 1 1 423.557 2.907 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1Cc2nccn2C[C@@H](Cn2nc(C)nc2C)C1 ZINC001170438352 1078314631 /nfs/dbraw/zinc/31/46/31/1078314631.db2.gz RMRLDGAEGRPKCL-WOJBJXKFSA-N 1 1 422.533 2.973 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1Cc2nccn2C[C@@H](Cn2nc(C)nc2C)C1 ZINC001170438352 1078314634 /nfs/dbraw/zinc/31/46/34/1078314634.db2.gz RMRLDGAEGRPKCL-WOJBJXKFSA-N 1 1 422.533 2.973 20 0 HFADMO COC1(C(=O)N2CCC(n3c[nH+]cc3C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793851715 1078323943 /nfs/dbraw/zinc/32/39/43/1078323943.db2.gz ZHGLEJJVTYADIQ-UHFFFAOYSA-N 1 1 406.527 2.771 20 0 HFADMO C[NH+](C)CCOc1ccc(C=CC(=O)N[C@@H](Cc2nc[nH]n2)c2ccccc2)cc1 ZINC000793876623 1078331518 /nfs/dbraw/zinc/33/15/18/1078331518.db2.gz WGCINPLTRFLALT-BGVYSJOJSA-N 1 1 405.502 2.859 20 0 HFADMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc3c2CCCN3C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000793876464 1078331670 /nfs/dbraw/zinc/33/16/70/1078331670.db2.gz WVLYWQZSMMXGIL-IRXDYDNUSA-N 1 1 417.550 2.901 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc3c2CCCN3C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000793876464 1078331672 /nfs/dbraw/zinc/33/16/72/1078331672.db2.gz WVLYWQZSMMXGIL-IRXDYDNUSA-N 1 1 417.550 2.901 20 0 HFADMO CCCCCCn1nc(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c2ccccc2c1=O ZINC000793876545 1078331702 /nfs/dbraw/zinc/33/17/02/1078331702.db2.gz XPGOYZPVKRCFFW-MSOLQXFVSA-N 1 1 414.550 2.504 20 0 HFADMO CCCCCCn1nc(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c2ccccc2c1=O ZINC000793876545 1078331705 /nfs/dbraw/zinc/33/17/05/1078331705.db2.gz XPGOYZPVKRCFFW-MSOLQXFVSA-N 1 1 414.550 2.504 20 0 HFADMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(-c3ccc(Br)cc3)n2C)[C@@H](C)C1 ZINC000793876155 1078332092 /nfs/dbraw/zinc/33/20/92/1078332092.db2.gz XOPQZHQMGAMZJY-GJZGRUSLSA-N 1 1 420.351 2.982 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(-c3ccc(Br)cc3)n2C)[C@@H](C)C1 ZINC000793876155 1078332094 /nfs/dbraw/zinc/33/20/94/1078332094.db2.gz XOPQZHQMGAMZJY-GJZGRUSLSA-N 1 1 420.351 2.982 20 0 HFADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)C1 ZINC000793909542 1078335154 /nfs/dbraw/zinc/33/51/54/1078335154.db2.gz HRZIAJAMOHGHSE-RDGPPVDQSA-N 1 1 419.566 2.567 20 0 HFADMO CC[C@]1(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000793951309 1078345241 /nfs/dbraw/zinc/34/52/41/1078345241.db2.gz GADWBYMBDUQHIF-OAQYLSRUSA-N 1 1 405.543 2.685 20 0 HFADMO Cn1cc[nH+]c1N1CCC(NC(=O)c2ccc(F)cc2NC(=O)c2ccoc2)CC1 ZINC000793952471 1078345773 /nfs/dbraw/zinc/34/57/73/1078345773.db2.gz NRCZXFAQOZSIFI-UHFFFAOYSA-N 1 1 411.437 2.803 20 0 HFADMO Cn1cc[nH+]c1N1CCC(NC(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000793953494 1078346148 /nfs/dbraw/zinc/34/61/48/1078346148.db2.gz SPEQGMCEGIYQSE-UHFFFAOYSA-N 1 1 413.522 2.947 20 0 HFADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000793945084 1078354461 /nfs/dbraw/zinc/35/44/61/1078354461.db2.gz BVNKTITWSBZFDQ-NSHGMRRFSA-N 1 1 407.599 2.667 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@H]2OCC[C@@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001170441663 1078356183 /nfs/dbraw/zinc/35/61/83/1078356183.db2.gz IUXGZPKLNQDAIC-YSTOQKLRSA-N 1 1 416.518 2.627 20 0 HFADMO C[C@@H](C(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)[NH+]1CCSCC1 ZINC000794047691 1078365472 /nfs/dbraw/zinc/36/54/72/1078365472.db2.gz LQDWVFNKCSEITP-PKOBYXMFSA-N 1 1 405.564 2.589 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCC[C@@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001170443288 1078375669 /nfs/dbraw/zinc/37/56/69/1078375669.db2.gz OYXNCFZIGSCMTR-FDDCHVKYSA-N 1 1 410.518 2.989 20 0 HFADMO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC001170442761 1078372301 /nfs/dbraw/zinc/37/23/01/1078372301.db2.gz ICOPLPKXPLGELI-OAHLLOKOSA-N 1 1 403.342 2.677 20 0 HFADMO CS(=O)(=O)C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC001170442761 1078372305 /nfs/dbraw/zinc/37/23/05/1078372305.db2.gz ICOPLPKXPLGELI-OAHLLOKOSA-N 1 1 403.342 2.677 20 0 HFADMO O=C(NCC[N@@H+]1CC=CCC1)c1ccc2c(=O)n(-c3ccccc3F)c(=S)[nH]c2c1 ZINC000794114481 1078374032 /nfs/dbraw/zinc/37/40/32/1078374032.db2.gz FSRKUXCZUIHUDI-UHFFFAOYSA-N 1 1 424.501 2.805 20 0 HFADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)c2ccc3nccnc3c2)CC1 ZINC000794137025 1078377076 /nfs/dbraw/zinc/37/70/76/1078377076.db2.gz STSKKDFGBQXLQW-KRWDZBQOSA-N 1 1 404.470 2.692 20 0 HFADMO CCn1c(SCC(=O)OC[C@H]2C[N@@H+](CC(C)C)CCO2)nnc1-c1ccco1 ZINC000794144123 1078377571 /nfs/dbraw/zinc/37/75/71/1078377571.db2.gz MOVGBMXDXUWPRM-OAHLLOKOSA-N 1 1 408.524 2.550 20 0 HFADMO CC1=C(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)n2ncnc2N1C ZINC000794146838 1078377877 /nfs/dbraw/zinc/37/78/77/1078377877.db2.gz HLAGMWIAIBRKLM-QUCCMNQESA-N 1 1 408.550 2.981 20 0 HFADMO CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000794146920 1078378048 /nfs/dbraw/zinc/37/80/48/1078378048.db2.gz KHFPBVFEQYVERK-AZUAARDMSA-N 1 1 415.534 2.892 20 0 HFADMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000794270416 1078397780 /nfs/dbraw/zinc/39/77/80/1078397780.db2.gz FLTQREREMIQLFS-AWEZNQCLSA-N 1 1 401.548 2.753 20 0 HFADMO C[C@H](C(=O)N[C@H](CCCNC(=O)OC(C)(C)C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000794276029 1078398486 /nfs/dbraw/zinc/39/84/86/1078398486.db2.gz SPMWVEPKZWQTCL-UYAOXDASSA-N 1 1 418.582 2.785 20 0 HFADMO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](C[C@@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000794330410 1078415707 /nfs/dbraw/zinc/41/57/07/1078415707.db2.gz VZCNNIQSZYRIEC-HOTGVXAUSA-N 1 1 401.548 2.593 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000794404163 1078436421 /nfs/dbraw/zinc/43/64/21/1078436421.db2.gz IHANBZBWQDARBQ-RTBURBONSA-N 1 1 420.554 2.938 20 0 HFADMO C[C@]1(CNC(=O)C(=O)N[C@H]2CCc3c2cccc3O)CC[N@@H+](Cc2ccccc2)C1 ZINC000804399810 1078463848 /nfs/dbraw/zinc/46/38/48/1078463848.db2.gz GUTJRURNDNXWLX-GBXCKJPGSA-N 1 1 407.514 2.524 20 0 HFADMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000804418907 1078468859 /nfs/dbraw/zinc/46/88/59/1078468859.db2.gz ZGTPOBJKUNAYOX-PMACEKPBSA-N 1 1 421.969 2.603 20 0 HFADMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc1 ZINC001170460644 1078475720 /nfs/dbraw/zinc/47/57/20/1078475720.db2.gz QYIPGWAODUFKPM-BLIXFSHQSA-N 1 1 422.529 2.910 20 0 HFADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)C1 ZINC001129800543 1078476852 /nfs/dbraw/zinc/47/68/52/1078476852.db2.gz PLDOIIWLFVOUMN-BBTUJRGHSA-N 1 1 405.539 2.657 20 0 HFADMO CCN1CC[NH+](CC(C)(C)NC(=O)Cc2sc(SC(F)F)nc2C)CC1 ZINC001129808287 1078505686 /nfs/dbraw/zinc/50/56/86/1078505686.db2.gz NOESMTATMQAGED-UHFFFAOYSA-N 1 1 406.568 2.841 20 0 HFADMO CC[C@H](C)CC[C@H](O)CC(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804449000 1078515979 /nfs/dbraw/zinc/51/59/79/1078515979.db2.gz SXSSTALXIOCVKV-WWNPGLIZSA-N 1 1 401.595 2.982 20 0 HFADMO Cc1c(C(=O)N[C@@H](C)[C@@H](O)c2ccc(C)cc2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000804475788 1078518895 /nfs/dbraw/zinc/51/88/95/1078518895.db2.gz HUPCYIOJUIAXOY-QMHKHESXSA-N 1 1 419.529 2.724 20 0 HFADMO Cc1csc([C@@H](C)NC(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000804500803 1078555198 /nfs/dbraw/zinc/55/51/98/1078555198.db2.gz QGQXTGKSHCPMPX-IERDGZPVSA-N 1 1 400.548 2.657 20 0 HFADMO C[C@H](NS(=O)(=O)c1cccc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1)c1ccccc1 ZINC001129903676 1078576119 /nfs/dbraw/zinc/57/61/19/1078576119.db2.gz AXCYWFZGXUSEOX-PXNSSMCTSA-N 1 1 415.559 2.892 20 0 HFADMO COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC001129905750 1078577395 /nfs/dbraw/zinc/57/73/95/1078577395.db2.gz PGOXPCQAYWNXKY-WAIKUNEKSA-N 1 1 417.550 2.914 20 0 HFADMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC001129905963 1078578073 /nfs/dbraw/zinc/57/80/73/1078578073.db2.gz UBSURRKDECRYNW-LLVKDONJSA-N 1 1 412.719 2.849 20 0 HFADMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC001129905964 1078578116 /nfs/dbraw/zinc/57/81/16/1078578116.db2.gz UBSURRKDECRYNW-NSHDSACASA-N 1 1 412.719 2.849 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000804776020 1078601913 /nfs/dbraw/zinc/60/19/13/1078601913.db2.gz UBQYEPSXRCIPOS-UFYCRDLUSA-N 1 1 410.518 2.569 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000804777459 1078602327 /nfs/dbraw/zinc/60/23/27/1078602327.db2.gz FSVSIDHJCBYKLY-INIZCTEOSA-N 1 1 413.971 2.729 20 0 HFADMO C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)[C@H]1C(=O)OC(C)(C)C ZINC001129951285 1078626981 /nfs/dbraw/zinc/62/69/81/1078626981.db2.gz MCULSEIOLHJOEK-MISYRCLQSA-N 1 1 402.535 2.856 20 0 HFADMO C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@H]1C(=O)OC(C)(C)C ZINC001129951285 1078626984 /nfs/dbraw/zinc/62/69/84/1078626984.db2.gz MCULSEIOLHJOEK-MISYRCLQSA-N 1 1 402.535 2.856 20 0 HFADMO COc1cc(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)ccc1OCCC(C)C ZINC001129668999 1078628492 /nfs/dbraw/zinc/62/84/92/1078628492.db2.gz CMVFFJXXMVLYMV-UHFFFAOYSA-N 1 1 420.550 2.731 20 0 HFADMO COC[C@@]1(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CCCN1C(=O)OC(C)(C)C ZINC000804788812 1078644848 /nfs/dbraw/zinc/64/48/48/1078644848.db2.gz VGAUDZQYCMJWRB-GCJKJVERSA-N 1 1 405.539 2.822 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCC[C@@H](N4CCCC4=O)CC3)cc2)C[C@H](C)O1 ZINC001129705825 1078653624 /nfs/dbraw/zinc/65/36/24/1078653624.db2.gz QODMSAOUIVNKBJ-XQBPLPMBSA-N 1 1 413.562 2.913 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCC[C@@H](N4CCCC4=O)CC3)cc2)C[C@H](C)O1 ZINC001129705825 1078653629 /nfs/dbraw/zinc/65/36/29/1078653629.db2.gz QODMSAOUIVNKBJ-XQBPLPMBSA-N 1 1 413.562 2.913 20 0 HFADMO COc1ccc([C@@H](CC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)NC(C)=O)cc1 ZINC001129702498 1078661012 /nfs/dbraw/zinc/66/10/12/1078661012.db2.gz VAIDKLKQJYEEKK-WZONZLPQSA-N 1 1 409.530 2.995 20 0 HFADMO COc1ccc([C@@H](CC(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)NC(C)=O)cc1 ZINC001129702498 1078661017 /nfs/dbraw/zinc/66/10/17/1078661017.db2.gz VAIDKLKQJYEEKK-WZONZLPQSA-N 1 1 409.530 2.995 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000804830058 1078670804 /nfs/dbraw/zinc/67/08/04/1078670804.db2.gz OHGRPYJIAIPBLR-IEBWSBKVSA-N 1 1 400.567 2.528 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000804832812 1078672321 /nfs/dbraw/zinc/67/23/21/1078672321.db2.gz VTNNZWCVJIWASD-WIYYLYMNSA-N 1 1 408.546 2.538 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(c3ncnc4ccc(F)cc43)C2)CC1 ZINC000804835573 1078677004 /nfs/dbraw/zinc/67/70/04/1078677004.db2.gz YMLUOCATIBLYCC-MRXNPFEDSA-N 1 1 401.486 2.900 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000804644638 1078697131 /nfs/dbraw/zinc/69/71/31/1078697131.db2.gz MNJBSJFAJRROJS-SIKLNZKXSA-N 1 1 422.573 2.928 20 0 HFADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCc3c(F)cccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000804644049 1078698317 /nfs/dbraw/zinc/69/83/17/1078698317.db2.gz AGCJTHDABCDXDQ-XLIONFOSSA-N 1 1 409.505 2.880 20 0 HFADMO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)C1 ZINC000804906504 1078729068 /nfs/dbraw/zinc/72/90/68/1078729068.db2.gz KQICKLPBSONRFT-SJKOYZFVSA-N 1 1 419.469 2.632 20 0 HFADMO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)C1 ZINC000804906504 1078729073 /nfs/dbraw/zinc/72/90/73/1078729073.db2.gz KQICKLPBSONRFT-SJKOYZFVSA-N 1 1 419.469 2.632 20 0 HFADMO CC[C@](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)(C(=O)OC)c1ccccc1 ZINC001129793180 1078733457 /nfs/dbraw/zinc/73/34/57/1078733457.db2.gz RFORLYFBUKSJRH-XUZZJYLKSA-N 1 1 410.514 2.525 20 0 HFADMO CC[C@](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)(C(=O)OC)c1ccccc1 ZINC001129793180 1078733466 /nfs/dbraw/zinc/73/34/66/1078733466.db2.gz RFORLYFBUKSJRH-XUZZJYLKSA-N 1 1 410.514 2.525 20 0 HFADMO C[NH+](C)C1(CNS(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)CCCCCC1 ZINC000804948450 1078776952 /nfs/dbraw/zinc/77/69/52/1078776952.db2.gz UPROMWJMKRGMLX-UHFFFAOYSA-N 1 1 424.535 2.616 20 0 HFADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)C1 ZINC000804954631 1078796003 /nfs/dbraw/zinc/79/60/03/1078796003.db2.gz GAPWTHZAIPJLBA-QAETUUGQSA-N 1 1 420.520 2.986 20 0 HFADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1ccccc1CSC1=NCCS1 ZINC000747224129 1078820326 /nfs/dbraw/zinc/82/03/26/1078820326.db2.gz UUMOIRZHUVFJEJ-UHFFFAOYSA-N 1 1 406.621 2.732 20 0 HFADMO CC(C)(C)OC(=O)NCCNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000805054997 1078867175 /nfs/dbraw/zinc/86/71/75/1078867175.db2.gz RHHGALADKWWWAD-JOCHJYFZSA-N 1 1 402.539 2.819 20 0 HFADMO CC(C)N(C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001130057621 1078880964 /nfs/dbraw/zinc/88/09/64/1078880964.db2.gz JDOBFPHGNOLHMD-ROUUACIJSA-N 1 1 411.468 2.909 20 0 HFADMO CC(C)N(C(=O)CC1CCN(S(C)(=O)=O)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001130058312 1078881855 /nfs/dbraw/zinc/88/18/55/1078881855.db2.gz YVFKQCXJGIEWOA-OAQYLSRUSA-N 1 1 421.607 2.560 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@]1(COC)CCCN1C(=O)OC(C)(C)C ZINC000805100045 1078886055 /nfs/dbraw/zinc/88/60/55/1078886055.db2.gz RCFTZVRQLXOJMK-UTKZUKDTSA-N 1 1 412.575 2.576 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000747232078 1078956555 /nfs/dbraw/zinc/95/65/55/1078956555.db2.gz QZQAAUHDJBMNHZ-TUNNFDKTSA-N 1 1 406.482 2.734 20 0 HFADMO CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001130125065 1078975455 /nfs/dbraw/zinc/97/54/55/1078975455.db2.gz VOMNFIXIJSDSAY-YJMBLLCNSA-N 1 1 412.578 2.939 20 0 HFADMO COC(=O)N1CCC(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000805240686 1078980139 /nfs/dbraw/zinc/98/01/39/1078980139.db2.gz ZLJBYTRXEXMFQO-ROUUACIJSA-N 1 1 408.930 2.863 20 0 HFADMO COC(=O)N1CCC(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000805240686 1078980140 /nfs/dbraw/zinc/98/01/40/1078980140.db2.gz ZLJBYTRXEXMFQO-ROUUACIJSA-N 1 1 408.930 2.863 20 0 HFADMO Cc1c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000747236372 1078993376 /nfs/dbraw/zinc/99/33/76/1078993376.db2.gz LYWXUHFXRYPOAI-IAGOWNOFSA-N 1 1 408.424 2.793 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000747236096 1078995162 /nfs/dbraw/zinc/99/51/62/1078995162.db2.gz AEZSFODOBXJUOK-DLENHJPASA-N 1 1 406.479 2.593 20 0 HFADMO C[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001130138897 1079007388 /nfs/dbraw/zinc/00/73/88/1079007388.db2.gz INRNPDVNJIBWBW-MELADBBJSA-N 1 1 418.563 2.802 20 0 HFADMO CCc1ccc([C@@H](CNS(=O)(=O)c2ccc(F)c(C(=O)OC)c2)[NH+](C)C)cc1 ZINC000747237407 1079031602 /nfs/dbraw/zinc/03/16/02/1079031602.db2.gz JOOLMILSMYKOKR-LJQANCHMSA-N 1 1 408.495 2.756 20 0 HFADMO 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C[C@H]1CC[N@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805788886 1079256593 /nfs/dbraw/zinc/25/65/93/1079256593.db2.gz PSTLBGNBQVOQPT-OVWQWFNUSA-N 1 1 411.468 2.926 20 0 HFADMO C[C@H]1CC[N@@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805788886 1079256598 /nfs/dbraw/zinc/25/65/98/1079256598.db2.gz PSTLBGNBQVOQPT-OVWQWFNUSA-N 1 1 411.468 2.926 20 0 HFADMO CC[C@H]1CN(C(=O)NCC2CCN(C(=O)OC)CC2)CC[N@H+]1Cc1ccccc1 ZINC000805833824 1079272379 /nfs/dbraw/zinc/27/23/79/1079272379.db2.gz HFHDKSQUTFQJSS-FQEVSTJZSA-N 1 1 402.539 2.771 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c(Cl)cc1Cl ZINC000747269343 1079276815 /nfs/dbraw/zinc/27/68/15/1079276815.db2.gz MZLNSUGKDLBSGL-NSHDSACASA-N 1 1 407.319 2.543 20 0 HFADMO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000805825599 1079294688 /nfs/dbraw/zinc/29/46/88/1079294688.db2.gz ZSCQWXNSKLZJMO-QFBILLFUSA-N 1 1 419.522 2.578 20 0 HFADMO 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OXHMYJFVVHACPZ-LBPRGKRZSA-N 1 1 407.421 2.944 20 0 HFADMO C[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CCN1C(=O)OC(C)(C)C ZINC000787335861 1076747189 /nfs/dbraw/zinc/74/71/89/1076747189.db2.gz VWOARKMIXJMFFG-SQNIBIBYSA-N 1 1 424.586 2.669 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)N1CCN(Cc2ccco2)CC1 ZINC000787300867 1076748759 /nfs/dbraw/zinc/74/87/59/1076748759.db2.gz WLWZRTPYTRJBJK-ZZYHAFTGSA-N 1 1 424.589 2.670 20 0 HFADMO C[C@H](NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000787312323 1076758490 /nfs/dbraw/zinc/75/84/90/1076758490.db2.gz LMSTXIVBJQZTJG-SFHVURJKSA-N 1 1 414.550 2.985 20 0 HFADMO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)[C@@H]1C ZINC000787323087 1076764639 /nfs/dbraw/zinc/76/46/39/1076764639.db2.gz CLFKVOWTARYIFP-YQVWRLOYSA-N 1 1 423.513 3.000 20 0 HFADMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)[C@@H]1C ZINC000787323087 1076764648 /nfs/dbraw/zinc/76/46/48/1076764648.db2.gz CLFKVOWTARYIFP-YQVWRLOYSA-N 1 1 423.513 3.000 20 0 HFADMO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)[C@H]1C ZINC000787324724 1076767990 /nfs/dbraw/zinc/76/79/90/1076767990.db2.gz CUDCASVRBIZQJD-HKUYNNGSSA-N 1 1 423.513 2.747 20 0 HFADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)[C@H]1C ZINC000787324724 1076767993 /nfs/dbraw/zinc/76/79/93/1076767993.db2.gz CUDCASVRBIZQJD-HKUYNNGSSA-N 1 1 423.513 2.747 20 0 HFADMO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787353570 1076793677 /nfs/dbraw/zinc/79/36/77/1076793677.db2.gz VHTVTCVIBIBTCW-RBUKOAKNSA-N 1 1 416.566 2.713 20 0 HFADMO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787353570 1076793680 /nfs/dbraw/zinc/79/36/80/1076793680.db2.gz VHTVTCVIBIBTCW-RBUKOAKNSA-N 1 1 416.566 2.713 20 0 HFADMO C[C@@H]1CN(c2ccc(NC(=O)C[N@H+]3CC[C@H](Cc4cnn(C)c4)C3)cc2)C[C@H](C)O1 ZINC000746679115 1076795446 /nfs/dbraw/zinc/79/54/46/1076795446.db2.gz OAVCRJANBZCFNQ-CEXWTWQISA-N 1 1 411.550 2.537 20 0 HFADMO COc1cc(OC)cc([C@@H](O)CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)c1 ZINC000787433056 1076802823 /nfs/dbraw/zinc/80/28/23/1076802823.db2.gz WSYVFITWNLBIQF-KRWDZBQOSA-N 1 1 418.400 2.686 20 0 HFADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)[C@H](C)C1 ZINC000787387546 1076804453 /nfs/dbraw/zinc/80/44/53/1076804453.db2.gz MMVMTQPGLHURHS-GJYPPUQNSA-N 1 1 419.570 2.936 20 0 HFADMO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)[C@H](C)C1 ZINC000787387546 1076804455 /nfs/dbraw/zinc/80/44/55/1076804455.db2.gz MMVMTQPGLHURHS-GJYPPUQNSA-N 1 1 419.570 2.936 20 0 HFADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)[C@H](C)C1 ZINC000787387546 1076804456 /nfs/dbraw/zinc/80/44/56/1076804456.db2.gz MMVMTQPGLHURHS-GJYPPUQNSA-N 1 1 419.570 2.936 20 0 HFADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787393182 1076806095 /nfs/dbraw/zinc/80/60/95/1076806095.db2.gz GUXYVPXYHCASNF-CVEARBPZSA-N 1 1 405.543 2.548 20 0 HFADMO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787393182 1076806104 /nfs/dbraw/zinc/80/61/04/1076806104.db2.gz GUXYVPXYHCASNF-CVEARBPZSA-N 1 1 405.543 2.548 20 0 HFADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787393182 1076806108 /nfs/dbraw/zinc/80/61/08/1076806108.db2.gz GUXYVPXYHCASNF-CVEARBPZSA-N 1 1 405.543 2.548 20 0 HFADMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787457593 1076818808 /nfs/dbraw/zinc/81/88/08/1076818808.db2.gz VWYPTMIXEDDNFE-MRXNPFEDSA-N 1 1 416.526 2.801 20 0 HFADMO Cc1cnc(Cl)c(NC(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000787459540 1076819512 /nfs/dbraw/zinc/81/95/12/1076819512.db2.gz RGISPCWJGUAIHZ-UHFFFAOYSA-N 1 1 401.898 2.753 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)cn1 ZINC000787489706 1076823770 /nfs/dbraw/zinc/82/37/70/1076823770.db2.gz MNXMYRKKYVLRCX-QAPCUYQASA-N 1 1 407.474 2.785 20 0 HFADMO CCOCc1ccccc1CNC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000787513562 1076831888 /nfs/dbraw/zinc/83/18/88/1076831888.db2.gz KZLVKCWDRNFFFV-VWLOTQADSA-N 1 1 423.557 2.868 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H](C)c2ccccc2OC(C)C)cn1 ZINC000787480647 1076839370 /nfs/dbraw/zinc/83/93/70/1076839370.db2.gz FXJQEVPIGWTZHU-MRXNPFEDSA-N 1 1 421.501 2.857 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCC(C)(C)c2ccc(C)cc2)cn1 ZINC000787482915 1076840966 /nfs/dbraw/zinc/84/09/66/1076840966.db2.gz AXPPIGLLAJWGOD-UHFFFAOYSA-N 1 1 405.502 2.594 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H](C)CSc2ccc(C)cc2)cn1 ZINC000787483936 1076841969 /nfs/dbraw/zinc/84/19/69/1076841969.db2.gz BPYWLIFWLGXLGN-INIZCTEOSA-N 1 1 423.542 2.797 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2/C=C\c2ccccc2)cn1 ZINC000787483596 1076842235 /nfs/dbraw/zinc/84/22/35/1076842235.db2.gz GLXKYCAGJRUQKQ-FYJQUHEMSA-N 1 1 415.497 2.896 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)cn1 ZINC000787486831 1076844110 /nfs/dbraw/zinc/84/41/10/1076844110.db2.gz SOBGLUWGUMAOLB-OXQOHEQNSA-N 1 1 403.486 2.597 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1 ZINC000787592204 1076862523 /nfs/dbraw/zinc/86/25/23/1076862523.db2.gz QZDABQNGCOKIOE-HXUWFJFHSA-N 1 1 419.541 2.637 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000787625915 1076882652 /nfs/dbraw/zinc/88/26/52/1076882652.db2.gz JVEDQUZTOVXVLU-UHFFFAOYSA-N 1 1 422.573 2.712 20 0 HFADMO Cc1nc2ccccn2c(=O)c1CC[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000787720455 1076907524 /nfs/dbraw/zinc/90/75/24/1076907524.db2.gz YISRFEFWWGJYBT-UHFFFAOYSA-N 1 1 404.470 2.560 20 0 HFADMO C[NH+]1CCN(c2nccnc2N[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)CC1 ZINC001170076706 1076912196 /nfs/dbraw/zinc/91/21/96/1076912196.db2.gz SCTKWSDKVMZXDJ-NRFANRHFSA-N 1 1 422.577 2.701 20 0 HFADMO Cc1ccccc1CN1CC[NH+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000787690432 1076912820 /nfs/dbraw/zinc/91/28/20/1076912820.db2.gz YKDZEVOVPGDIFX-NFBKMPQASA-N 1 1 403.567 2.873 20 0 HFADMO CC(C)COC(=O)N1CCC[N@H+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1 ZINC000787706679 1076920445 /nfs/dbraw/zinc/92/04/45/1076920445.db2.gz CATMPABONVDTQG-UWJYYQICSA-N 1 1 413.559 2.547 20 0 HFADMO CCOc1ccccc1[C@H](CC)NC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000787871277 1076968160 /nfs/dbraw/zinc/96/81/60/1076968160.db2.gz QXCLYPAMKVNGRR-IBGZPJMESA-N 1 1 421.501 2.858 20 0 HFADMO Cc1ccc(N2CCCN(C(=O)C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000787903439 1076988024 /nfs/dbraw/zinc/98/80/24/1076988024.db2.gz LHUWIWUXTRYDJT-OAQYLSRUSA-N 1 1 414.594 2.805 20 0 HFADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000787903851 1076988941 /nfs/dbraw/zinc/98/89/41/1076988941.db2.gz OIMZKKJQCZCIJY-LJQANCHMSA-N 1 1 423.561 2.528 20 0 HFADMO CCc1ccc(N2CCN(C(=O)C(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000787913597 1076992684 /nfs/dbraw/zinc/99/26/84/1076992684.db2.gz WJTBPSKKMATLBH-HXUWFJFHSA-N 1 1 414.594 2.526 20 0 HFADMO Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)C2)cc1 ZINC000787913043 1076992907 /nfs/dbraw/zinc/99/29/07/1076992907.db2.gz UXRUQPUEZJIKLE-LEWJYISDSA-N 1 1 414.594 2.708 20 0 HFADMO C[C@H](Cc1ccco1)NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000787962444 1077010366 /nfs/dbraw/zinc/01/03/66/1077010366.db2.gz PAVOOHREDLPLOU-DVECYGJZSA-N 1 1 409.530 2.842 20 0 HFADMO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788002636 1077024660 /nfs/dbraw/zinc/02/46/60/1077024660.db2.gz GNBUCPAOBIOONI-INIZCTEOSA-N 1 1 423.529 2.697 20 0 HFADMO COc1ccc(OC)c2c1CN(C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)C[C@@H]2O ZINC000788011476 1077027993 /nfs/dbraw/zinc/02/79/93/1077027993.db2.gz JSYXXIGZMYWWKM-CTNGQTDRSA-N 1 1 412.530 2.844 20 0 HFADMO COc1cc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cnc1Br ZINC000788157445 1077071212 /nfs/dbraw/zinc/07/12/12/1077071212.db2.gz UKIHVUQQZHBNLP-UHFFFAOYSA-N 1 1 404.308 2.853 20 0 HFADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cnc(Br)c(OC)c2)[C@H](C)C1 ZINC000788222042 1077082601 /nfs/dbraw/zinc/08/26/01/1077082601.db2.gz HIRKKHDGICVCMM-UKRRQHHQSA-N 1 1 414.344 2.720 20 0 HFADMO CC(C)CCC[C@@H](C)[N@H+]1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001170083744 1077090390 /nfs/dbraw/zinc/09/03/90/1077090390.db2.gz YZAXHCMTXPOVIM-PBASOCQRSA-N 1 1 407.580 2.654 20 0 HFADMO Cc1cc(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)ccc1NC(=O)OC(C)(C)C ZINC000772716889 1077096379 /nfs/dbraw/zinc/09/63/79/1077096379.db2.gz JVALAUSRIKSMKR-UHFFFAOYSA-N 1 1 418.538 2.578 20 0 HFADMO C[C@]1(CCc2ccc3c(c2)OCO3)NC(=O)N(C[N@@H+]2CCSC(C)(C)CC2)C1=O ZINC000788376796 1077133504 /nfs/dbraw/zinc/13/35/04/1077133504.db2.gz CTQVBIAFPBCUIV-OAQYLSRUSA-N 1 1 419.547 2.833 20 0 HFADMO C[C@]1(CCc2ccc3c(c2)OCO3)NC(=O)N(C[N@H+]2CCSC(C)(C)CC2)C1=O ZINC000788376796 1077133507 /nfs/dbraw/zinc/13/35/07/1077133507.db2.gz CTQVBIAFPBCUIV-OAQYLSRUSA-N 1 1 419.547 2.833 20 0 HFADMO C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000788459625 1077166448 /nfs/dbraw/zinc/16/64/48/1077166448.db2.gz BKSGYFRUCHXUIJ-SFHVURJKSA-N 1 1 401.507 2.908 20 0 HFADMO COc1cc(C(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)cnc1Br ZINC000788513256 1077187266 /nfs/dbraw/zinc/18/72/66/1077187266.db2.gz YPYCTGPMUUMJKD-CYBMUJFWSA-N 1 1 412.328 2.616 20 0 HFADMO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000746748095 1077189091 /nfs/dbraw/zinc/18/90/91/1077189091.db2.gz OJJNQCOYDYKOAP-UHFFFAOYSA-N 1 1 410.952 2.964 20 0 HFADMO CN1CCN(c2cc(C[NH2+][C@H]3CCCN(C(=O)Oc4ccccc4)CC3)ccn2)CC1 ZINC000788539021 1077193092 /nfs/dbraw/zinc/19/30/92/1077193092.db2.gz KAOOPTMCWJLFJN-NRFANRHFSA-N 1 1 423.561 2.977 20 0 HFADMO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1ccnc(N2CCN(C)CC2)c1 ZINC000788540527 1077194447 /nfs/dbraw/zinc/19/44/47/1077194447.db2.gz SRSNDEZYDWJRTC-AZUAARDMSA-N 1 1 417.598 2.959 20 0 HFADMO C[C@H]1C[C@@H](NC(=O)C(=O)NCCSC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000788550386 1077197775 /nfs/dbraw/zinc/19/77/75/1077197775.db2.gz YPLRSRJWHMTCKQ-ZFWWWQNUSA-N 1 1 403.470 2.525 20 0 HFADMO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000788612274 1077207797 /nfs/dbraw/zinc/20/77/97/1077207797.db2.gz NRPXYMVAJARIQO-KXBFYZLASA-N 1 1 402.539 2.587 20 0 HFADMO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000788612274 1077207800 /nfs/dbraw/zinc/20/78/00/1077207800.db2.gz NRPXYMVAJARIQO-KXBFYZLASA-N 1 1 402.539 2.587 20 0 HFADMO COC(=O)c1sc(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(C)c1Cl ZINC000788651610 1077226793 /nfs/dbraw/zinc/22/67/93/1077226793.db2.gz JLJVVBZELOBGNM-VXGBXAGGSA-N 1 1 406.957 2.601 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000788628683 1077236091 /nfs/dbraw/zinc/23/60/91/1077236091.db2.gz YJJPYMXEMQRHRG-HHHXNRCGSA-N 1 1 407.458 2.889 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000788628683 1077236096 /nfs/dbraw/zinc/23/60/96/1077236096.db2.gz YJJPYMXEMQRHRG-HHHXNRCGSA-N 1 1 407.458 2.889 20 0 HFADMO C[C@H](CNC(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)[N@H+]1CCCC[C@H]1C ZINC000790905908 1077243980 /nfs/dbraw/zinc/24/39/80/1077243980.db2.gz AEXUDQLTFKAJAV-MKXGPGLRSA-N 1 1 416.566 2.618 20 0 HFADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)c2nc(Br)cs2)CC1 ZINC000788643280 1077244401 /nfs/dbraw/zinc/24/44/01/1077244401.db2.gz RTWNQQFNEYPPRK-UHFFFAOYSA-N 1 1 423.380 2.973 20 0 HFADMO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CC[N@H+]1C ZINC000788658295 1077255388 /nfs/dbraw/zinc/25/53/88/1077255388.db2.gz MLIQDFJWDJPRCP-XLNTUCKNSA-N 1 1 410.518 2.519 20 0 HFADMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000788663821 1077259248 /nfs/dbraw/zinc/25/92/48/1077259248.db2.gz XLRJZTNNAROWDH-JKSUJKDBSA-N 1 1 410.559 2.673 20 0 HFADMO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2COCc3cccc(Cl)c32)cc1 ZINC000788669377 1077261011 /nfs/dbraw/zinc/26/10/11/1077261011.db2.gz NRWJHAGBPYCBSS-GOSISDBHSA-N 1 1 423.918 2.789 20 0 HFADMO CN(C(=O)NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788715141 1077268920 /nfs/dbraw/zinc/26/89/20/1077268920.db2.gz SENMGVSDFGIXJE-QHCPKHFHSA-N 1 1 420.557 2.877 20 0 HFADMO CCOC(=O)[C@H]1[C@@H]([NH2+]Cc2nn(C)c3ccccc23)CCN1C(=O)OC(C)(C)C ZINC000788753015 1077276977 /nfs/dbraw/zinc/27/69/77/1077276977.db2.gz YREXCBFEQARJMG-MAUKXSAKSA-N 1 1 402.495 2.604 20 0 HFADMO CC(C)(C)OC(=O)NCC1CC[NH+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)CC1 ZINC000788769132 1077282688 /nfs/dbraw/zinc/28/26/88/1077282688.db2.gz CHTBBXNCJZWDCV-IBGZPJMESA-N 1 1 415.534 2.798 20 0 HFADMO CC(C)(C)OC(=O)NCC1CC[NH+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)CC1 ZINC000788769133 1077282900 /nfs/dbraw/zinc/28/29/00/1077282900.db2.gz CHTBBXNCJZWDCV-LJQANCHMSA-N 1 1 415.534 2.798 20 0 HFADMO 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CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)C1 ZINC000788772078 1077295669 /nfs/dbraw/zinc/29/56/69/1077295669.db2.gz ONXJACMPGXEDEQ-OALUTQOASA-N 1 1 415.534 2.798 20 0 HFADMO CN(C[C@@H]1CC[N@H+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)C1)C(=O)OC(C)(C)C ZINC000788774614 1077297694 /nfs/dbraw/zinc/29/76/94/1077297694.db2.gz XIMUMJBNWXHJJH-RBUKOAKNSA-N 1 1 415.534 2.751 20 0 HFADMO CN(C[C@@H]1CC[N@@H+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)C1)C(=O)OC(C)(C)C ZINC000788774614 1077297699 /nfs/dbraw/zinc/29/76/99/1077297699.db2.gz XIMUMJBNWXHJJH-RBUKOAKNSA-N 1 1 415.534 2.751 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000788777739 1077298451 /nfs/dbraw/zinc/29/84/51/1077298451.db2.gz LORQLLKQQVDNQV-HRCADAONSA-N 1 1 413.349 2.735 20 0 HFADMO CCOC(=O)[C@@H]1[C@@H]([NH2+]CCc2ccc3cn[nH]c3c2)CCN1C(=O)OC(C)(C)C ZINC000788814698 1077306570 /nfs/dbraw/zinc/30/65/70/1077306570.db2.gz AAZRYQOXVVHLHV-WMZOPIPTSA-N 1 1 402.495 2.636 20 0 HFADMO 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CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2sc(S(N)(=O)=O)c(C)c2Cl)C1 ZINC000791218729 1077333347 /nfs/dbraw/zinc/33/33/47/1077333347.db2.gz PMLIVMGFCHPRQW-LBPRGKRZSA-N 1 1 422.016 2.988 20 0 HFADMO CC(C)[C@H](CNC(=O)N1CCC(COc2ccc(Cl)nc2)CC1)[NH+]1CCOCC1 ZINC000788856616 1077334627 /nfs/dbraw/zinc/33/46/27/1077334627.db2.gz YGVANEHDLUXRBU-IBGZPJMESA-N 1 1 424.973 2.892 20 0 HFADMO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000788911424 1077350037 /nfs/dbraw/zinc/35/00/37/1077350037.db2.gz DDBMLPJBEPXRAY-NEPJUHHUSA-N 1 1 423.348 2.996 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000788914743 1077352424 /nfs/dbraw/zinc/35/24/24/1077352424.db2.gz SXSFOZAAQDEWIS-QGZVFWFLSA-N 1 1 412.575 2.528 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000788914743 1077352429 /nfs/dbraw/zinc/35/24/29/1077352429.db2.gz SXSFOZAAQDEWIS-QGZVFWFLSA-N 1 1 412.575 2.528 20 0 HFADMO C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NCc3c(F)cccc3Cl)cc2)CC1 ZINC000746994451 1077352758 /nfs/dbraw/zinc/35/27/58/1077352758.db2.gz PQZOEMJHMVQOIR-UHFFFAOYSA-N 1 1 418.900 2.876 20 0 HFADMO C[C@@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000788915045 1077353093 /nfs/dbraw/zinc/35/30/93/1077353093.db2.gz JDGKGAXDVHSPBX-FGTMMUONSA-N 1 1 402.539 2.625 20 0 HFADMO C[C@@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000788915045 1077353095 /nfs/dbraw/zinc/35/30/95/1077353095.db2.gz JDGKGAXDVHSPBX-FGTMMUONSA-N 1 1 402.539 2.625 20 0 HFADMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@H]2CC(c3c(F)cccc3F)=NO2)C[C@@H](C)O1 ZINC000791334027 1077377207 /nfs/dbraw/zinc/37/72/07/1077377207.db2.gz USFZRDNPAPHTCJ-BKEDOTJMSA-N 1 1 407.461 2.558 20 0 HFADMO CC[C@@H](CNC(=O)C(=O)Nc1ccnn1C1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000746780460 1077378470 /nfs/dbraw/zinc/37/84/70/1077378470.db2.gz FOZJRXYZCVOURL-IBGZPJMESA-N 1 1 409.534 2.890 20 0 HFADMO CCN(CCc1cccs1)C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000747004143 1077385609 /nfs/dbraw/zinc/38/56/09/1077385609.db2.gz ZIOSNUXMKNRKPE-UHFFFAOYSA-N 1 1 414.575 2.920 20 0 HFADMO C[C@@H](CNC(=O)N1CCC(COc2ccc(Cl)nc2)CC1)C[NH+]1CCOCC1 ZINC000789036679 1077390326 /nfs/dbraw/zinc/39/03/26/1077390326.db2.gz GYFPURDAPASAEN-INIZCTEOSA-N 1 1 410.946 2.504 20 0 HFADMO CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000789064976 1077395759 /nfs/dbraw/zinc/39/57/59/1077395759.db2.gz LSFPGCFDAMDXHC-QGZVFWFLSA-N 1 1 414.591 2.678 20 0 HFADMO CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000789064976 1077395763 /nfs/dbraw/zinc/39/57/63/1077395763.db2.gz LSFPGCFDAMDXHC-QGZVFWFLSA-N 1 1 414.591 2.678 20 0 HFADMO CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+](C[C@@H](O)c3ccccc3)C2)CC1 ZINC000791450809 1077411579 /nfs/dbraw/zinc/41/15/79/1077411579.db2.gz YACYNHPJCWSBTP-WOJBJXKFSA-N 1 1 417.550 2.511 20 0 HFADMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)c2cc(C(C)C)n(C)n2)CC1 ZINC000747015025 1077423194 /nfs/dbraw/zinc/42/31/94/1077423194.db2.gz RXSIDFFSMPCGPC-UHFFFAOYSA-N 1 1 412.534 2.743 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCc2sccc2Br)cn1 ZINC000747017407 1077434834 /nfs/dbraw/zinc/43/48/34/1077434834.db2.gz FJJJAQMXPVHNRZ-UHFFFAOYSA-N 1 1 420.292 2.655 20 0 HFADMO C[C@@H](OC(=O)c1n[nH]c2c1CCCCC2)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000789178459 1077446083 /nfs/dbraw/zinc/44/60/83/1077446083.db2.gz WZHKHZKBBVUGDO-AEFFLSMTSA-N 1 1 410.518 2.615 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@@H](C)[N@H+]3CCc4ccccc4C3)C2)c1 ZINC000791510233 1077449193 /nfs/dbraw/zinc/44/91/93/1077449193.db2.gz NYDWCIGUTMEHIG-MWTRTKDXSA-N 1 1 423.513 2.760 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000789221287 1077449296 /nfs/dbraw/zinc/44/92/96/1077449296.db2.gz CGSASZZEVZJMRZ-IAGOWNOFSA-N 1 1 412.575 2.575 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000789221287 1077449298 /nfs/dbraw/zinc/44/92/98/1077449298.db2.gz CGSASZZEVZJMRZ-IAGOWNOFSA-N 1 1 412.575 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407.514 2.745 20 0 HFADMO CCc1cnc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)o1 ZINC001086600247 1077506278 /nfs/dbraw/zinc/50/62/78/1077506278.db2.gz JZMJIBNHSGVSCD-FIQGOXITSA-N 1 1 407.514 2.745 20 0 HFADMO CC[N@H+]1CCC[C@@H]1CNC(=S)N1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000789349184 1077512487 /nfs/dbraw/zinc/51/24/87/1077512487.db2.gz OBCSZODIYYOQTG-XHSDSOJGSA-N 1 1 402.580 2.625 20 0 HFADMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@](C)(O)CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000791629373 1077519058 /nfs/dbraw/zinc/51/90/58/1077519058.db2.gz VBQVHUGKCTZADG-RXVVDRJESA-N 1 1 421.925 2.748 20 0 HFADMO CCOC(=O)C1=C(C[N@H+]2CCC[C@](C)(O)CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000791629373 1077519064 /nfs/dbraw/zinc/51/90/64/1077519064.db2.gz VBQVHUGKCTZADG-RXVVDRJESA-N 1 1 421.925 2.748 20 0 HFADMO CCOC(=O)C1C(C[N@@H+]2CCC[C@](C)(O)CC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000791629373 1077519068 /nfs/dbraw/zinc/51/90/68/1077519068.db2.gz VBQVHUGKCTZADG-RXVVDRJESA-N 1 1 421.925 2.748 20 0 HFADMO CCOC(=O)C1C(C[N@H+]2CCC[C@](C)(O)CC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000791629373 1077519072 /nfs/dbraw/zinc/51/90/72/1077519072.db2.gz VBQVHUGKCTZADG-RXVVDRJESA-N 1 1 421.925 2.748 20 0 HFADMO Cc1cc(N2CCC(NC(=O)c3nc(Br)ccc3F)CC2)nc(C)[nH+]1 ZINC000791627927 1077519086 /nfs/dbraw/zinc/51/90/86/1077519086.db2.gz NWBDCXVXGBHVHB-UHFFFAOYSA-N 1 1 408.275 2.789 20 0 HFADMO CC(=O)c1ccc(N2CCN(C(=O)C[N@H+]3CCSC(C)(C)CC3)CC2)c(F)c1 ZINC000789339303 1077527586 /nfs/dbraw/zinc/52/75/86/1077527586.db2.gz CAVZXTUZXHFUIL-UHFFFAOYSA-N 1 1 407.555 2.894 20 0 HFADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccnn1C1CCCC1 ZINC000746800568 1077529098 /nfs/dbraw/zinc/52/90/98/1077529098.db2.gz ANXKMIFFZNNFMK-IBGZPJMESA-N 1 1 409.534 2.917 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)Nc1nc(CC(C)(C)C)cs1 ZINC000789386632 1077532614 /nfs/dbraw/zinc/53/26/14/1077532614.db2.gz CSZLZFZUOWQDSP-UHFFFAOYSA-N 1 1 412.519 2.876 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC(=O)NCCOc1cccc(F)c1 ZINC000789367130 1077540163 /nfs/dbraw/zinc/54/01/63/1077540163.db2.gz UTFMJMFDQWWKLR-INIZCTEOSA-N 1 1 415.465 2.970 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC(=O)NCCOc1cccc(F)c1 ZINC000789367130 1077540166 /nfs/dbraw/zinc/54/01/66/1077540166.db2.gz UTFMJMFDQWWKLR-INIZCTEOSA-N 1 1 415.465 2.970 20 0 HFADMO COc1nc(Br)ccc1NC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000789379153 1077546436 /nfs/dbraw/zinc/54/64/36/1077546436.db2.gz SQEFIVRPSFTXGA-GXTWGEPZSA-N 1 1 413.316 2.618 20 0 HFADMO COc1nc(Br)ccc1NC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000789379155 1077546739 /nfs/dbraw/zinc/54/67/39/1077546739.db2.gz SQEFIVRPSFTXGA-OCCSQVGLSA-N 1 1 413.316 2.618 20 0 HFADMO CC(=O)Nc1ccc(NC(=O)C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1C ZINC000746808823 1077550455 /nfs/dbraw/zinc/55/04/55/1077550455.db2.gz IIORVYVFBJZOCM-KRWDZBQOSA-N 1 1 410.518 2.919 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000791755050 1077553805 /nfs/dbraw/zinc/55/38/05/1077553805.db2.gz QWBUFVQMZYPHHC-KRWDZBQOSA-N 1 1 407.942 2.652 20 0 HFADMO CC(C)(C)OC(=O)N1CC(C)(OCC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000791826409 1077574960 /nfs/dbraw/zinc/57/49/60/1077574960.db2.gz WAFKLJBZJJASCR-IBGZPJMESA-N 1 1 417.550 2.651 20 0 HFADMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000791827117 1077575595 /nfs/dbraw/zinc/57/55/95/1077575595.db2.gz XBTJWQBWPXOQCU-MRXNPFEDSA-N 1 1 408.470 2.935 20 0 HFADMO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CN2C(=O)N[C@@](CCC(C)C)(C3CC3)C2=O)C1 ZINC000789444997 1077576403 /nfs/dbraw/zinc/57/64/03/1077576403.db2.gz RFWKUMWLLMSNOD-JTSKRJEESA-N 1 1 407.555 2.992 20 0 HFADMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CN2C(=O)N[C@@](CCC(C)C)(C3CC3)C2=O)C1 ZINC000789444997 1077576407 /nfs/dbraw/zinc/57/64/07/1077576407.db2.gz RFWKUMWLLMSNOD-JTSKRJEESA-N 1 1 407.555 2.992 20 0 HFADMO COC[C@H](Cc1ccccc1)[N@H+](C)CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000789454644 1077580651 /nfs/dbraw/zinc/58/06/51/1077580651.db2.gz CRVXXBKBYVPGNP-QFIPXVFZSA-N 1 1 409.530 2.619 20 0 HFADMO COC[C@H](Cc1ccccc1)[N@@H+](C)CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000789454644 1077580658 /nfs/dbraw/zinc/58/06/58/1077580658.db2.gz CRVXXBKBYVPGNP-QFIPXVFZSA-N 1 1 409.530 2.619 20 0 HFADMO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COC(=O)CN2CCc3ccccc3C2=O)O1 ZINC000789485147 1077588739 /nfs/dbraw/zinc/58/87/39/1077588739.db2.gz GOFMGXUBQZCJNI-OAQYLSRUSA-N 1 1 422.525 2.908 20 0 HFADMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)OC[C@H]1CCCS(=O)(=O)C1 ZINC000791877070 1077595512 /nfs/dbraw/zinc/59/55/12/1077595512.db2.gz XOMNDNQSIUWDKP-ZWKOTPCHSA-N 1 1 409.548 2.921 20 0 HFADMO Brc1ccc(C[N@H+]2CCC[C@H](C3OCCO3)C2)c(N2CCOCC2)c1 ZINC000789508070 1077600498 /nfs/dbraw/zinc/60/04/98/1077600498.db2.gz VQMLAQIQRDTEFP-INIZCTEOSA-N 1 1 411.340 2.871 20 0 HFADMO O=C(C1=NN(Cc2ccccc2)C(=O)CC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791940924 1077601685 /nfs/dbraw/zinc/60/16/85/1077601685.db2.gz XYMKTUFYMDCCMC-SZPZYZBQSA-N 1 1 416.525 2.755 20 0 HFADMO C[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789520773 1077615552 /nfs/dbraw/zinc/61/55/52/1077615552.db2.gz IHGDDNYXFHUUJB-NRFANRHFSA-N 1 1 405.498 2.796 20 0 HFADMO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000746826939 1077623968 /nfs/dbraw/zinc/62/39/68/1077623968.db2.gz BQMLSQSPNWLPCU-OALUTQOASA-N 1 1 418.582 2.816 20 0 HFADMO C[C@]1(c2ccc(Br)cc2)NC(=O)N(C[N@@H+]2CC[C@]3(C2)CCCOC3)C1=O ZINC000789546632 1077638278 /nfs/dbraw/zinc/63/82/78/1077638278.db2.gz RKHAUMSUTCQDKD-MOPGFXCFSA-N 1 1 422.323 2.676 20 0 HFADMO C[C@]1(c2ccc(Br)cc2)NC(=O)N(C[N@H+]2CC[C@]3(C2)CCCOC3)C1=O ZINC000789546632 1077638279 /nfs/dbraw/zinc/63/82/79/1077638279.db2.gz RKHAUMSUTCQDKD-MOPGFXCFSA-N 1 1 422.323 2.676 20 0 HFADMO C[C@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(C[N@@H+]2CC[C@@]3(C2)CCCOC3)C1=O ZINC000789547376 1077639545 /nfs/dbraw/zinc/63/95/45/1077639545.db2.gz VRBKHELIBBHEDI-RTBURBONSA-N 1 1 411.424 2.932 20 0 HFADMO C[C@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(C[N@H+]2CC[C@@]3(C2)CCCOC3)C1=O ZINC000789547376 1077639546 /nfs/dbraw/zinc/63/95/46/1077639546.db2.gz VRBKHELIBBHEDI-RTBURBONSA-N 1 1 411.424 2.932 20 0 HFADMO CCOc1ccc(CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000792060168 1077667492 /nfs/dbraw/zinc/66/74/92/1077667492.db2.gz TVTHDDWJCUILJI-UHFFFAOYSA-N 1 1 421.538 2.653 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2cccnc2N2CCCCC2)CC1 ZINC000792079742 1077668223 /nfs/dbraw/zinc/66/82/23/1077668223.db2.gz UYUXFWCJYNHTHC-UHFFFAOYSA-N 1 1 417.554 2.953 20 0 HFADMO CNC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000746830503 1077673038 /nfs/dbraw/zinc/67/30/38/1077673038.db2.gz VEPQXZJZPDTDFM-QGZVFWFLSA-N 1 1 411.502 2.914 20 0 HFADMO Cc1nc(-c2cccc(NC(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)c2)n[nH]1 ZINC000792076792 1077682339 /nfs/dbraw/zinc/68/23/39/1077682339.db2.gz RRMKLGIEPHLHFT-UHFFFAOYSA-N 1 1 414.510 2.661 20 0 HFADMO C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792034049 1077686350 /nfs/dbraw/zinc/68/63/50/1077686350.db2.gz PLJGTCSZKBUSIW-CABCVRRESA-N 1 1 422.492 2.912 20 0 HFADMO C[C@H](CNC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)NC(=O)OC(C)(C)C ZINC000792048521 1077693769 /nfs/dbraw/zinc/69/37/69/1077693769.db2.gz WLBACSMBQHAKCT-SJORKVTESA-N 1 1 420.554 2.620 20 0 HFADMO C[C@H](CNC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)NC(=O)OC(C)(C)C ZINC000792048521 1077693773 /nfs/dbraw/zinc/69/37/73/1077693773.db2.gz WLBACSMBQHAKCT-SJORKVTESA-N 1 1 420.554 2.620 20 0 HFADMO COCCOc1ccccc1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792082474 1077707002 /nfs/dbraw/zinc/70/70/02/1077707002.db2.gz DSUHSQFTZFRURL-UHFFFAOYSA-N 1 1 407.511 2.593 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCc2nc3c(s2)CCCC3)CC1 ZINC000792127484 1077715607 /nfs/dbraw/zinc/71/56/07/1077715607.db2.gz XSHNMZDKCPLVML-UHFFFAOYSA-N 1 1 408.568 2.581 20 0 HFADMO COC(=O)Nc1cc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)ccc1F ZINC000792130153 1077717020 /nfs/dbraw/zinc/71/70/20/1077717020.db2.gz SNIYEHSGUUAOAF-UHFFFAOYSA-N 1 1 424.473 2.885 20 0 HFADMO C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792130161 1077717052 /nfs/dbraw/zinc/71/70/52/1077717052.db2.gz STVMGMSLBISHEY-AZUAARDMSA-N 1 1 417.550 2.918 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CC[C@@H](Nc3ccccc3)C2)CC1 ZINC000792133029 1077718014 /nfs/dbraw/zinc/71/80/14/1077718014.db2.gz IMRAQFBCOICYBJ-LJQANCHMSA-N 1 1 402.539 2.642 20 0 HFADMO COc1cc(F)c(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000792147215 1077723012 /nfs/dbraw/zinc/72/30/12/1077723012.db2.gz JQUVJPFFWFCNRR-UHFFFAOYSA-N 1 1 411.474 2.724 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000792156325 1077725374 /nfs/dbraw/zinc/72/53/74/1077725374.db2.gz BEQYYVWVTXLMJT-UHFFFAOYSA-N 1 1 421.339 2.965 20 0 HFADMO CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC[N@@H+](C)C2CC2)c1 ZINC000746845267 1077725618 /nfs/dbraw/zinc/72/56/18/1077725618.db2.gz XWEFWKPQKNSHFX-UHFFFAOYSA-N 1 1 421.950 2.989 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N[C@@H]2CCCOc3ccccc32)CC1 ZINC000792120557 1077727952 /nfs/dbraw/zinc/72/79/52/1077727952.db2.gz JBDXVNIURNBRAB-GOSISDBHSA-N 1 1 403.523 2.959 20 0 HFADMO CC(C)c1nc(CCNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cs1 ZINC000792122885 1077728549 /nfs/dbraw/zinc/72/85/49/1077728549.db2.gz CPFHCMJJCYJRKK-UHFFFAOYSA-N 1 1 410.584 2.868 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCc2cc(-c3ccccc3)on2)CC1 ZINC000792123411 1077729161 /nfs/dbraw/zinc/72/91/61/1077729161.db2.gz OTQOCSCEWCXQHP-UHFFFAOYSA-N 1 1 414.506 2.901 20 0 HFADMO Cc1csc(C2(NC(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)CCC2)n1 ZINC000792177102 1077736008 /nfs/dbraw/zinc/73/60/08/1077736008.db2.gz ATVFVCHYSMHJCG-UHFFFAOYSA-N 1 1 408.568 2.890 20 0 HFADMO C[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1nc2ccccc2n1C ZINC000792191456 1077739740 /nfs/dbraw/zinc/73/97/40/1077739740.db2.gz XKAQIUDZLXAOPE-INIZCTEOSA-N 1 1 415.538 2.693 20 0 HFADMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1nc(Br)ccc1F ZINC000792192475 1077739966 /nfs/dbraw/zinc/73/99/66/1077739966.db2.gz ASTLWMNVEWBJNC-UHFFFAOYSA-N 1 1 421.314 2.877 20 0 HFADMO COc1ccccc1[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792193902 1077740197 /nfs/dbraw/zinc/74/01/97/1077740197.db2.gz LRWUWCKSQBVRMP-GOSISDBHSA-N 1 1 417.550 2.954 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000792194985 1077740285 /nfs/dbraw/zinc/74/02/85/1077740285.db2.gz SZJXGPITSDMIAF-IBGZPJMESA-N 1 1 419.522 2.736 20 0 HFADMO CN1CCCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c2cc(F)ccc21 ZINC000792195946 1077740845 /nfs/dbraw/zinc/74/08/45/1077740845.db2.gz TUMHVZGTATYKFG-UHFFFAOYSA-N 1 1 420.529 2.941 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000792194989 1077741135 /nfs/dbraw/zinc/74/11/35/1077741135.db2.gz SZJXGPITSDMIAF-LJQANCHMSA-N 1 1 419.522 2.736 20 0 HFADMO Cc1ccccc1[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CCO1 ZINC000792197332 1077741753 /nfs/dbraw/zinc/74/17/53/1077741753.db2.gz TXYWPQKMKVZCEK-FQEVSTJZSA-N 1 1 417.550 2.838 20 0 HFADMO C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)Oc1cccc(F)c1 ZINC000792198578 1077741969 /nfs/dbraw/zinc/74/19/69/1077741969.db2.gz DVDVWASXMLPKIV-INIZCTEOSA-N 1 1 409.502 2.652 20 0 HFADMO C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792220721 1077747113 /nfs/dbraw/zinc/74/71/13/1077747113.db2.gz LOYBREXNUDZUCO-PKOBYXMFSA-N 1 1 405.539 2.558 20 0 HFADMO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](C[C@H]2CC3(CCC3)C(=O)O2)C(C)C)cc1 ZINC000792221784 1077747511 /nfs/dbraw/zinc/74/75/11/1077747511.db2.gz OSAVJBCLHQEZAH-UYAOXDASSA-N 1 1 404.507 2.581 20 0 HFADMO CC(C)CNC(=O)C1CCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000792227487 1077752417 /nfs/dbraw/zinc/75/24/17/1077752417.db2.gz XATPOOZCNNNVOG-HXUWFJFHSA-N 1 1 400.567 2.702 20 0 HFADMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000792227116 1077752738 /nfs/dbraw/zinc/75/27/38/1077752738.db2.gz VKCJBDLQBOSNKI-RBBKRZOGSA-N 1 1 401.551 2.878 20 0 HFADMO Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H]2C)c1C ZINC000792234928 1077756761 /nfs/dbraw/zinc/75/67/61/1077756761.db2.gz HSTWJANLCUJEJH-ZDUSSCGKSA-N 1 1 403.914 2.682 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCC2(C)Cc3ccccc3C2)CC1 ZINC000792287680 1077776295 /nfs/dbraw/zinc/77/62/95/1077776295.db2.gz ATZHRHDQXNTQCX-UHFFFAOYSA-N 1 1 401.551 2.851 20 0 HFADMO COCC[N@@H+](C)CCCC1CCN(C(=O)[C@@H]2CC(c3cccc(OC)c3)=NO2)CC1 ZINC000792290401 1077777422 /nfs/dbraw/zinc/77/74/22/1077777422.db2.gz MSDRAMFJQPYKNV-QFIPXVFZSA-N 1 1 417.550 2.785 20 0 HFADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1ccc(Cl)nc1C ZINC000789752183 1077782927 /nfs/dbraw/zinc/78/29/27/1077782927.db2.gz ODUGEAKYHJADGK-KRWDZBQOSA-N 1 1 415.925 2.890 20 0 HFADMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000792275620 1077790510 /nfs/dbraw/zinc/79/05/10/1077790510.db2.gz UDNKDNSAYJZFGF-UHFFFAOYSA-N 1 1 420.554 2.788 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000792278027 1077791652 /nfs/dbraw/zinc/79/16/52/1077791652.db2.gz FDBJWLCZLZCQCL-OALUTQOASA-N 1 1 411.587 2.981 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)CC1 ZINC000792322565 1077806341 /nfs/dbraw/zinc/80/63/41/1077806341.db2.gz VTBFFEMLOUFFOX-LJQANCHMSA-N 1 1 421.513 2.748 20 0 HFADMO CC1(C)C[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC[C@@H]1C(F)(F)F ZINC000792354857 1077812649 /nfs/dbraw/zinc/81/26/49/1077812649.db2.gz NHMDNOLRHJFMJO-ZDUSSCGKSA-N 1 1 418.460 2.573 20 0 HFADMO O=C(Nc1ccn(Cc2ccccn2)n1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000789837807 1077816215 /nfs/dbraw/zinc/81/62/15/1077816215.db2.gz ZTXOSEHNRJDULO-UHFFFAOYSA-N 1 1 406.490 2.845 20 0 HFADMO Cc1nc(-c2ccccc2NC(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)no1 ZINC000792368472 1077818470 /nfs/dbraw/zinc/81/84/70/1077818470.db2.gz MYGRFECNHJOAFG-GOSISDBHSA-N 1 1 419.485 2.622 20 0 HFADMO CC(C)(C)OCc1cc(CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)no1 ZINC000792341909 1077826878 /nfs/dbraw/zinc/82/68/78/1077826878.db2.gz IEYGHYRYRBLABK-UHFFFAOYSA-N 1 1 424.542 2.549 20 0 HFADMO CCOC(=O)c1ccc(OCC)nc1N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001170165747 1077829191 /nfs/dbraw/zinc/82/91/91/1077829191.db2.gz CSWOAAJWFYXOQX-UHFFFAOYSA-N 1 1 413.478 2.525 20 0 HFADMO C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000792387953 1077830427 /nfs/dbraw/zinc/83/04/27/1077830427.db2.gz OTFKICKMTRFKLQ-RHSMWYFYSA-N 1 1 412.456 2.566 20 0 HFADMO COc1ccc(CN(C)C(=O)C[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc1F ZINC000792390218 1077832011 /nfs/dbraw/zinc/83/20/11/1077832011.db2.gz YGVILNHOSXSSNM-UHFFFAOYSA-N 1 1 405.445 2.870 20 0 HFADMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000746859827 1077844446 /nfs/dbraw/zinc/84/44/46/1077844446.db2.gz VRHKFHVGPAKNCE-MOPGFXCFSA-N 1 1 418.582 2.816 20 0 HFADMO Cc1cccc(OCCCNC(=O)C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c1 ZINC000792381056 1077845034 /nfs/dbraw/zinc/84/50/34/1077845034.db2.gz WTRGHUPHGBNTNF-UHFFFAOYSA-N 1 1 401.482 2.958 20 0 HFADMO O=C1Nc2ccccc2S(=O)(=O)N1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000789921514 1077848034 /nfs/dbraw/zinc/84/80/34/1077848034.db2.gz JZHFTRFHVDHLAB-QGZVFWFLSA-N 1 1 401.488 2.514 20 0 HFADMO O=C1Nc2ccccc2S(=O)(=O)N1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000789921514 1077848043 /nfs/dbraw/zinc/84/80/43/1077848043.db2.gz JZHFTRFHVDHLAB-QGZVFWFLSA-N 1 1 401.488 2.514 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000792492235 1077864950 /nfs/dbraw/zinc/86/49/50/1077864950.db2.gz VPCSVTKFLKRJBQ-UHFFFAOYSA-N 1 1 406.527 2.540 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000792492235 1077864953 /nfs/dbraw/zinc/86/49/53/1077864953.db2.gz VPCSVTKFLKRJBQ-UHFFFAOYSA-N 1 1 406.527 2.540 20 0 HFADMO COc1cc(-c2nnc(SCC[C@@H]3CCCC[N@H+]3C)n2N)cc(OC)c1OC ZINC000789956022 1077867959 /nfs/dbraw/zinc/86/79/59/1077867959.db2.gz RRLFTCVRWJNXGM-AWEZNQCLSA-N 1 1 407.540 2.651 20 0 HFADMO CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792497378 1077868149 /nfs/dbraw/zinc/86/81/49/1077868149.db2.gz JGAWETVTTLKHAL-ROUUACIJSA-N 1 1 405.564 2.935 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000792499105 1077868466 /nfs/dbraw/zinc/86/84/66/1077868466.db2.gz UTNOMCDVSIKANQ-GCJKJVERSA-N 1 1 405.514 2.974 20 0 HFADMO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1cc2c(nn1)-c1ccccc1OC2 ZINC001170166963 1077869225 /nfs/dbraw/zinc/86/92/25/1077869225.db2.gz ZDULTSOJLQYTJN-UHFFFAOYSA-N 1 1 402.458 2.904 20 0 HFADMO CCOC(=O)c1ccc2c(c1)ncnc2N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001170167117 1077869832 /nfs/dbraw/zinc/86/98/32/1077869832.db2.gz WJVURELTPFIHCH-UHFFFAOYSA-N 1 1 420.473 2.675 20 0 HFADMO C[C@H]1C[N@@H+](CCCNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)CCCO1 ZINC000792485145 1077878013 /nfs/dbraw/zinc/87/80/13/1077878013.db2.gz LKHIYYLUZCMTEA-INIZCTEOSA-N 1 1 406.527 2.588 20 0 HFADMO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000772797991 1077900945 /nfs/dbraw/zinc/90/09/45/1077900945.db2.gz KVCXCCZSZNBHEB-UGKGYDQZSA-N 1 1 400.567 2.801 20 0 HFADMO COC(=O)c1nn(-c2ccccc2)cc1OC[C@@H](O)C[N@H+]1CCC=C(c2ccco2)C1 ZINC001170182963 1077903148 /nfs/dbraw/zinc/90/31/48/1077903148.db2.gz BUSDZRZJZBVXMH-IBGZPJMESA-N 1 1 423.469 2.781 20 0 HFADMO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC001170218864 1077910245 /nfs/dbraw/zinc/91/02/45/1077910245.db2.gz WCALJEIJCUNBEE-ROUUACIJSA-N 1 1 416.591 2.830 20 0 HFADMO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC001170218864 1077910248 /nfs/dbraw/zinc/91/02/48/1077910248.db2.gz WCALJEIJCUNBEE-ROUUACIJSA-N 1 1 416.591 2.830 20 0 HFADMO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC001170218859 1077910299 /nfs/dbraw/zinc/91/02/99/1077910299.db2.gz WCALJEIJCUNBEE-MSOLQXFVSA-N 1 1 416.591 2.830 20 0 HFADMO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC001170218859 1077910301 /nfs/dbraw/zinc/91/03/01/1077910301.db2.gz WCALJEIJCUNBEE-MSOLQXFVSA-N 1 1 416.591 2.830 20 0 HFADMO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)cc1 ZINC000790008883 1077910941 /nfs/dbraw/zinc/91/09/41/1077910941.db2.gz YALIWCKZYPFQJU-IRXDYDNUSA-N 1 1 415.456 2.651 20 0 HFADMO O=C(COC(=O)c1ccc2c[nH+]cn2c1)Nc1cccc(CN2CCSCC2)c1 ZINC000792564682 1077912982 /nfs/dbraw/zinc/91/29/82/1077912982.db2.gz JWAPEWVTMPGVBU-UHFFFAOYSA-N 1 1 410.499 2.679 20 0 HFADMO O=C(C=CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccc2n[nH]cc2c1 ZINC000792579105 1077915551 /nfs/dbraw/zinc/91/55/51/1077915551.db2.gz UEEAKRMCZKFJSE-FMVXNEARSA-N 1 1 415.497 2.648 20 0 HFADMO C[C@@H](Cc1ccccc1Cl)[N@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001170274448 1077926180 /nfs/dbraw/zinc/92/61/80/1077926180.db2.gz RJRZXMYOLCBGMS-NBYUQASBSA-N 1 1 406.954 2.714 20 0 HFADMO C[C@@H](Cc1ccccc1Cl)[N@H+]1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001170274371 1077926188 /nfs/dbraw/zinc/92/61/88/1077926188.db2.gz QNIMTIMDGQZOAC-KPLVRAHFSA-N 1 1 406.954 2.858 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@H+]1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001170275360 1077926455 /nfs/dbraw/zinc/92/64/55/1077926455.db2.gz GPSATDLCEBBDHK-DDBAPUKQSA-N 1 1 400.910 2.894 20 0 HFADMO C[C@@H](Cc1ccccc1Cl)[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2)[C@H]2OCCC[C@H]21 ZINC001170283497 1077937286 /nfs/dbraw/zinc/93/72/86/1077937286.db2.gz MDKVIPHMGFKWBT-NDSDBLNTSA-N 1 1 402.926 2.666 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@H]2CO[C@H](CNC(=O)c3cnccn3)[C@H]2C1 ZINC001170284450 1077937642 /nfs/dbraw/zinc/93/76/42/1077937642.db2.gz NMOYEHHKDXFWBI-CNTRQJEFSA-N 1 1 414.937 2.828 20 0 HFADMO Cc1ccc(N2C[C@@H](C(=O)N(C)CC[N@@H+]3CCOC(C)(C)C3)CCC2=O)cc1C ZINC000790129592 1077951416 /nfs/dbraw/zinc/95/14/16/1077951416.db2.gz YAOATAUIAXVTES-IBGZPJMESA-N 1 1 401.551 2.616 20 0 HFADMO Cc1ccc(N2C[C@@H](C(=O)N(C)CC[N@H+]3CCOC(C)(C)C3)CCC2=O)cc1C ZINC000790129592 1077951418 /nfs/dbraw/zinc/95/14/18/1077951418.db2.gz YAOATAUIAXVTES-IBGZPJMESA-N 1 1 401.551 2.616 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)C[C@H](C)O1 ZINC000790129131 1077951618 /nfs/dbraw/zinc/95/16/18/1077951618.db2.gz XDXIHSHRKURFLV-SCTDSRPQSA-N 1 1 405.539 2.820 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)C[C@H](C)O1 ZINC000790129131 1077951621 /nfs/dbraw/zinc/95/16/21/1077951621.db2.gz XDXIHSHRKURFLV-SCTDSRPQSA-N 1 1 405.539 2.820 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000790123486 1077958368 /nfs/dbraw/zinc/95/83/68/1077958368.db2.gz FHWWGAZNBWZJLF-UHFFFAOYSA-N 1 1 411.587 2.983 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000790123486 1077958372 /nfs/dbraw/zinc/95/83/72/1077958372.db2.gz FHWWGAZNBWZJLF-UHFFFAOYSA-N 1 1 411.587 2.983 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N(Cc2ccco2)C[C@H]2CCCO2)CC1 ZINC000792650601 1077958578 /nfs/dbraw/zinc/95/85/78/1077958578.db2.gz PTJKVNRIZQTOPD-LJQANCHMSA-N 1 1 421.538 2.730 20 0 HFADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C[C@H]3OC(=O)c4ccccc43)n2)c1C ZINC000790160709 1077962591 /nfs/dbraw/zinc/96/25/91/1077962591.db2.gz ILNLZFSUIXIAML-QGZVFWFLSA-N 1 1 407.430 2.587 20 0 HFADMO CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](Nc2cc(C)[nH+]c(C)n2)C1 ZINC001170377775 1077962878 /nfs/dbraw/zinc/96/28/78/1077962878.db2.gz NVNROVZUAGYBNB-QKNQBKEWSA-N 1 1 418.538 2.846 20 0 HFADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)n2)c1C ZINC000790163101 1077963675 /nfs/dbraw/zinc/96/36/75/1077963675.db2.gz XVSLNASOFXNDMW-UHFFFAOYSA-N 1 1 418.498 2.589 20 0 HFADMO CCOC(=O)C1=C(C[N@@H+]2CC[C@H](OC)[C@H](C)C2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001170399798 1077964772 /nfs/dbraw/zinc/96/47/72/1077964772.db2.gz NILXWEGUBXVIJU-FMEYXAORSA-N 1 1 421.925 2.868 20 0 HFADMO CCOC(=O)C1=C(C[N@H+]2CC[C@H](OC)[C@H](C)C2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001170399798 1077964775 /nfs/dbraw/zinc/96/47/75/1077964775.db2.gz NILXWEGUBXVIJU-FMEYXAORSA-N 1 1 421.925 2.868 20 0 HFADMO CCOC(=O)C1C(C[N@@H+]2CC[C@H](OC)[C@H](C)C2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001170399798 1077964778 /nfs/dbraw/zinc/96/47/78/1077964778.db2.gz NILXWEGUBXVIJU-FMEYXAORSA-N 1 1 421.925 2.868 20 0 HFADMO CCOC(=O)C1C(C[N@H+]2CC[C@H](OC)[C@H](C)C2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001170399798 1077964782 /nfs/dbraw/zinc/96/47/82/1077964782.db2.gz NILXWEGUBXVIJU-FMEYXAORSA-N 1 1 421.925 2.868 20 0 HFADMO Cc1cc(=O)oc2cc(OCC(=O)N3CCC[C@H]3C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)ccc12 ZINC000746886448 1077968814 /nfs/dbraw/zinc/96/88/14/1077968814.db2.gz NINUEOJYWQEBMV-KSZLIROESA-N 1 1 414.502 2.580 20 0 HFADMO Cc1cc(=O)oc2cc(OCC(=O)N3CCC[C@H]3C[N@H+]3C[C@@H](C)O[C@@H](C)C3)ccc12 ZINC000746886448 1077968817 /nfs/dbraw/zinc/96/88/17/1077968817.db2.gz NINUEOJYWQEBMV-KSZLIROESA-N 1 1 414.502 2.580 20 0 HFADMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccnc1I ZINC000792671413 1077969638 /nfs/dbraw/zinc/96/96/38/1077969638.db2.gz YMMVSXBNTVTMEO-OAHLLOKOSA-N 1 1 421.282 2.938 20 0 HFADMO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cn1 ZINC000790212549 1077971696 /nfs/dbraw/zinc/97/16/96/1077971696.db2.gz YMXSQMTWFJXVAZ-YPAWHYETSA-N 1 1 411.550 2.775 20 0 HFADMO CO[C@@H]1CN(Cn2nc(C[NH+]3CCCCC3)n(-c3ccccc3)c2=S)C[C@@H]1OC ZINC000792714176 1077972703 /nfs/dbraw/zinc/97/27/03/1077972703.db2.gz UQFBBZCUQBFYRX-KDURUIRLSA-N 1 1 417.579 2.692 20 0 HFADMO C[C@@H](OC(=O)Cc1ccc(Cl)cn1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792718419 1077973423 /nfs/dbraw/zinc/97/34/23/1077973423.db2.gz QAJLVHVWMFDBCL-BEFAXECRSA-N 1 1 401.894 2.600 20 0 HFADMO CCC[N@H+]1CC[C@H](CNC(=O)N(Cc2ccccc2)C[C@@H](O)c2cnn(CC)c2)C1 ZINC000790241283 1077974882 /nfs/dbraw/zinc/97/48/82/1077974882.db2.gz QVBFVRYWKLOPRX-IFMALSPDSA-N 1 1 413.566 2.880 20 0 HFADMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000790264735 1077989852 /nfs/dbraw/zinc/98/98/52/1077989852.db2.gz OQXDPOINYXVCPB-JQHSSLGASA-N 1 1 409.452 2.764 20 0 HFADMO COc1ccc([C@@H]2C[C@H]2NC(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000792794310 1077993439 /nfs/dbraw/zinc/99/34/39/1077993439.db2.gz JZCWWYPHBJFWAJ-ZCNNSNEGSA-N 1 1 414.575 2.901 20 0 HFADMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+]([C@@H]2CCN(C3CCOCC3)C2=O)[C@H]2CCCC[C@@H]12 ZINC000790315727 1077995161 /nfs/dbraw/zinc/99/51/61/1077995161.db2.gz XXVSASDJHWJUKC-MVIBAMFRSA-N 1 1 419.610 2.950 20 0 HFADMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=S)Nc2ccsc2)c1 ZINC000790304804 1077999734 /nfs/dbraw/zinc/99/97/34/1077999734.db2.gz DETHIYAEXPYABM-UHFFFAOYSA-N 1 1 404.561 2.896 20 0 HFADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000792863918 1078010955 /nfs/dbraw/zinc/01/09/55/1078010955.db2.gz VVFTXGADTQURSW-NFBKMPQASA-N 1 1 417.550 2.508 20 0 HFADMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000792848038 1078014041 /nfs/dbraw/zinc/01/40/41/1078014041.db2.gz LBCJDKQLACNCIT-DZFGPLHGSA-N 1 1 424.545 2.959 20 0 HFADMO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1c1ccccc1 ZINC000792880911 1078016729 /nfs/dbraw/zinc/01/67/29/1078016729.db2.gz JLWBLJWROPLXGD-NZSAHSFTSA-N 1 1 408.564 2.804 20 0 HFADMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1c1ccccc1 ZINC000792880911 1078016736 /nfs/dbraw/zinc/01/67/36/1078016736.db2.gz JLWBLJWROPLXGD-NZSAHSFTSA-N 1 1 408.564 2.804 20 0 HFADMO O=C1O[C@]2(CN1CN1CCN(Cc3cccc4ccccc43)CC1)C[NH+]1CCC2CC1 ZINC000790372041 1078016855 /nfs/dbraw/zinc/01/68/55/1078016855.db2.gz XMQDZAVJIDDQFJ-VWLOTQADSA-N 1 1 420.557 2.832 20 0 HFADMO COc1ccccc1[C@H](CNC(=O)NCC[N@@H+]1CC=CCC1)NC(=O)OC(C)(C)C ZINC000792885305 1078017018 /nfs/dbraw/zinc/01/70/18/1078017018.db2.gz GNYPGTWQHWAXKV-SFHVURJKSA-N 1 1 418.538 2.822 20 0 HFADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCC(Oc3ccc(F)nc3)CC2)[C@@H](C)C1 ZINC000790377155 1078018241 /nfs/dbraw/zinc/01/82/41/1078018241.db2.gz WPZICWPRDRWGLF-FXAWDEMLSA-N 1 1 422.545 2.911 20 0 HFADMO C[C@H]1OCC[C@@]12C[N@@H+](Cn1ccc(=O)c3cccc(Br)c31)C[C@@H](C)O2 ZINC000790407401 1078019829 /nfs/dbraw/zinc/01/98/29/1078019829.db2.gz RPMLETFEOMUGCB-PJIJBLCYSA-N 1 1 407.308 2.990 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000792914811 1078025122 /nfs/dbraw/zinc/02/51/22/1078025122.db2.gz SWKWBBYDOHSWOS-ZENOOKHLSA-N 1 1 421.847 2.555 20 0 HFADMO CC(C)[C@@H](CNC(=O)[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)[NH+]1CCOCC1 ZINC000792918735 1078025791 /nfs/dbraw/zinc/02/57/91/1078025791.db2.gz XAORSYVLYFMPOU-NFBKMPQASA-N 1 1 417.550 2.508 20 0 HFADMO COc1ccccc1[C@H](CNC(=O)C(=O)Nc1cccc(F)n1)[NH+]1CCCCC1 ZINC000792965409 1078037369 /nfs/dbraw/zinc/03/73/69/1078037369.db2.gz QUHFYQPXFWOMDE-INIZCTEOSA-N 1 1 400.454 2.511 20 0 HFADMO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)Nc2cccc(Br)n2)CC1 ZINC000792968038 1078038521 /nfs/dbraw/zinc/03/85/21/1078038521.db2.gz DZXWKWHUYXTCQJ-UHFFFAOYSA-N 1 1 411.344 2.753 20 0 HFADMO CC1(C)C[N@H+](C2(CNC(=O)C(=O)Nc3cccc(Cl)n3)CCCCC2)CCO1 ZINC000792982975 1078040449 /nfs/dbraw/zinc/04/04/49/1078040449.db2.gz ZYJSRIKTWFZTJQ-UHFFFAOYSA-N 1 1 408.930 2.603 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1nnn(Cc2ccc(F)cc2F)c1C ZINC000790487943 1078042778 /nfs/dbraw/zinc/04/27/78/1078042778.db2.gz FSFWVZJCUPYCMK-UHFFFAOYSA-N 1 1 423.427 2.732 20 0 HFADMO CCOC(=O)N1CCC(NC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000806271710 1079534440 /nfs/dbraw/zinc/53/44/40/1079534440.db2.gz KDVQFZUBZWEMPC-QHCPKHFHSA-N 1 1 414.550 2.915 20 0 HFADMO Cc1ccc(C(=O)N2[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC001130586773 1079562488 /nfs/dbraw/zinc/56/24/88/1079562488.db2.gz UNHXACYWRRJZGA-SQNIBIBYSA-N 1 1 407.580 2.723 20 0 HFADMO CSCC[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000806310483 1079565462 /nfs/dbraw/zinc/56/54/62/1079565462.db2.gz BREOWLMIDHQDOI-CJNGLKHVSA-N 1 1 417.497 2.654 20 0 HFADMO CSCC[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000806310483 1079565467 /nfs/dbraw/zinc/56/54/67/1079565467.db2.gz BREOWLMIDHQDOI-CJNGLKHVSA-N 1 1 417.497 2.654 20 0 HFADMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC001130589764 1079570548 /nfs/dbraw/zinc/57/05/48/1079570548.db2.gz RCHRFWSRYKNPCP-WCXIOVBPSA-N 1 1 407.942 2.507 20 0 HFADMO Cc1ccccc1[C@H](O)C1CCN(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000806323536 1079595878 /nfs/dbraw/zinc/59/58/78/1079595878.db2.gz UBIKODRHTHBCJQ-RBBKRZOGSA-N 1 1 403.567 2.807 20 0 HFADMO O=C(C1CCN(CC(F)F)CC1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000806368147 1079654778 /nfs/dbraw/zinc/65/47/78/1079654778.db2.gz WADFNNGUNKJPJW-UHFFFAOYSA-N 1 1 402.489 2.856 20 0 HFADMO CCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000806434515 1079682077 /nfs/dbraw/zinc/68/20/77/1079682077.db2.gz NDMXXWFUDPSSEF-YLJYHZDGSA-N 1 1 402.539 2.743 20 0 HFADMO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000806394411 1079684521 /nfs/dbraw/zinc/68/45/21/1079684521.db2.gz NAHYPUOEIDMODK-HXUWFJFHSA-N 1 1 402.539 2.743 20 0 HFADMO CC[C@@H](CNC(=O)N1CCCC[C@H]1COC(=O)NC)[N@H+]1CCc2ccccc2C1 ZINC000806397779 1079685923 /nfs/dbraw/zinc/68/59/23/1079685923.db2.gz QHVSKWUWYRTQGL-PMACEKPBSA-N 1 1 402.539 2.743 20 0 HFADMO CCNC(=O)OC[C@H]1CCCCN1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000806401960 1079689911 /nfs/dbraw/zinc/68/99/11/1079689911.db2.gz XXLWXXSAXQVUHE-HXUWFJFHSA-N 1 1 402.539 2.745 20 0 HFADMO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000806471638 1079702676 /nfs/dbraw/zinc/70/26/76/1079702676.db2.gz ILIYNGMWHWQQLU-KRWDZBQOSA-N 1 1 424.492 2.849 20 0 HFADMO CCOC(=O)C1CCC(O)(C[C@H](O)C[N@@H+](C)[C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC001170508931 1079722571 /nfs/dbraw/zinc/72/25/71/1079722571.db2.gz YHDUSGQOWOJDMQ-KXEIRXBSSA-N 1 1 413.942 2.541 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000806506065 1079756404 /nfs/dbraw/zinc/75/64/04/1079756404.db2.gz IUYQPXIFOFQCHP-HXUWFJFHSA-N 1 1 417.550 2.782 20 0 HFADMO C[C@]1(CNC(=O)C(=O)NCCc2ccc3[nH]ccc3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000806548618 1079787283 /nfs/dbraw/zinc/78/72/83/1079787283.db2.gz KDMXOZCUHTUJRU-RUZDIDTESA-N 1 1 418.541 2.855 20 0 HFADMO C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCCc2ccc(Cl)nc2)[C@@H]1c1cccs1 ZINC000806596508 1079838090 /nfs/dbraw/zinc/83/80/90/1079838090.db2.gz YHZUNNGFJISILQ-CRAIPNDOSA-N 1 1 420.966 2.655 20 0 HFADMO C[C@@H](O)c1ccc(CNC(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000806653166 1079871391 /nfs/dbraw/zinc/87/13/91/1079871391.db2.gz WVJBFKMGRHOZOG-HYBUGGRVSA-N 1 1 422.573 2.842 20 0 HFADMO O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747343736 1079909413 /nfs/dbraw/zinc/90/94/13/1079909413.db2.gz RVWIVOJZTNNQSW-SJORKVTESA-N 1 1 404.898 2.692 20 0 HFADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)C1 ZINC000806741286 1079949159 /nfs/dbraw/zinc/94/91/59/1079949159.db2.gz YPMJOVHLLFPACU-JONQDZQNSA-N 1 1 406.493 2.594 20 0 HFADMO C[C@H](NC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000806733185 1079958881 /nfs/dbraw/zinc/95/88/81/1079958881.db2.gz YWMMHHOTPXXFHR-GHTZIAJQSA-N 1 1 423.557 2.557 20 0 HFADMO O=C(c1cnn(CCC(F)(F)F)c1)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001130733012 1079970898 /nfs/dbraw/zinc/97/08/98/1079970898.db2.gz HNNCPKOYURSDHH-RBUKOAKNSA-N 1 1 422.451 2.951 20 0 HFADMO C[C@@H](NC(=O)NCc1c[nH+]c2n1CCCC2)c1cc(F)ccc1N1CCC(O)CC1 ZINC000806756082 1079974161 /nfs/dbraw/zinc/97/41/61/1079974161.db2.gz SPZMIHYXFZEJIF-OAHLLOKOSA-N 1 1 415.513 2.880 20 0 HFADMO Cc1ccc(CC(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c(Cl)n1 ZINC000806791854 1080012808 /nfs/dbraw/zinc/01/28/08/1080012808.db2.gz KACVUFSDRLAPPJ-UHFFFAOYSA-N 1 1 400.954 2.862 20 0 HFADMO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC001130750997 1080020428 /nfs/dbraw/zinc/02/04/28/1080020428.db2.gz ANLIWRORRRURML-VWNXMTODSA-N 1 1 405.542 2.908 20 0 HFADMO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC001130750997 1080020437 /nfs/dbraw/zinc/02/04/37/1080020437.db2.gz ANLIWRORRRURML-VWNXMTODSA-N 1 1 405.542 2.908 20 0 HFADMO C[C@@H](CNC(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000806865122 1080067299 /nfs/dbraw/zinc/06/72/99/1080067299.db2.gz PRGUFJSAOCQJCE-URXFXBBRSA-N 1 1 424.589 2.815 20 0 HFADMO CC(C)(O)c1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000806878899 1080077937 /nfs/dbraw/zinc/07/79/37/1080077937.db2.gz YSZRFSHTDPFEKK-INIZCTEOSA-N 1 1 415.559 2.942 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000806953777 1080163944 /nfs/dbraw/zinc/16/39/44/1080163944.db2.gz JNHGAPCYADPTEQ-QOKNQOGYSA-N 1 1 413.440 2.786 20 0 HFADMO CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000806977150 1080186893 /nfs/dbraw/zinc/18/68/93/1080186893.db2.gz XUCPYUYQGLEFGA-XUVXKRRUSA-N 1 1 424.586 2.720 20 0 HFADMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)cc2)C1 ZINC000806978908 1080187437 /nfs/dbraw/zinc/18/74/37/1080187437.db2.gz JAVCFNCAJSANQN-YOEHRIQHSA-N 1 1 413.440 2.899 20 0 HFADMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000807016356 1080212915 /nfs/dbraw/zinc/21/29/15/1080212915.db2.gz RLBUHKVBRITVBH-ROUUACIJSA-N 1 1 409.530 2.974 20 0 HFADMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000807016356 1080212923 /nfs/dbraw/zinc/21/29/23/1080212923.db2.gz RLBUHKVBRITVBH-ROUUACIJSA-N 1 1 409.530 2.974 20 0 HFADMO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)CSc1n[nH]c(=S)s1 ZINC000747370266 1080236536 /nfs/dbraw/zinc/23/65/36/1080236536.db2.gz NZADYENLLPNMSH-UHFFFAOYSA-N 1 1 404.533 2.788 20 0 HFADMO CC[C@@H](NC(=O)c1cnc(C2OCCO2)s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000807070257 1080253269 /nfs/dbraw/zinc/25/32/69/1080253269.db2.gz SDRJCQVIFDXDOW-SJORKVTESA-N 1 1 417.531 2.598 20 0 HFADMO CC[C@@H](NC(=O)c1cnc(C2OCCO2)s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000807070257 1080253275 /nfs/dbraw/zinc/25/32/75/1080253275.db2.gz SDRJCQVIFDXDOW-SJORKVTESA-N 1 1 417.531 2.598 20 0 HFADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000807091953 1080270774 /nfs/dbraw/zinc/27/07/74/1080270774.db2.gz QDVYPZZERGNJLV-RTWAWAEBSA-N 1 1 401.551 2.603 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000807092161 1080272410 /nfs/dbraw/zinc/27/24/10/1080272410.db2.gz SVKZDPGOXXLNPU-UXHICEINSA-N 1 1 401.551 2.507 20 0 HFADMO CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000807113847 1080290545 /nfs/dbraw/zinc/29/05/45/1080290545.db2.gz IKECZIJJASANGP-HOJAQTOUSA-N 1 1 402.539 2.817 20 0 HFADMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1nc(Br)sc1C1CC1 ZINC000807166175 1080323019 /nfs/dbraw/zinc/32/30/19/1080323019.db2.gz RXPIIKZCWDTQEG-GFCCVEGCSA-N 1 1 402.358 2.750 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCOc3c(Cl)c(Cl)ccc32)[C@@H](C)C1 ZINC000807173649 1080327715 /nfs/dbraw/zinc/32/77/15/1080327715.db2.gz ASUWECOHMZCGPQ-SLEUVZQESA-N 1 1 402.322 2.914 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCOc3c(Cl)c(Cl)ccc32)[C@@H](C)C1 ZINC000807173648 1080327902 /nfs/dbraw/zinc/32/79/02/1080327902.db2.gz ASUWECOHMZCGPQ-HUBLWGQQSA-N 1 1 402.322 2.914 20 0 HFADMO COc1ccc(C2=NO[C@H](CNC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)cc1C ZINC000807214870 1080365964 /nfs/dbraw/zinc/36/59/64/1080365964.db2.gz RDDCQYVAPRAFKZ-SWDXFRIISA-N 1 1 400.523 2.763 20 0 HFADMO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000807178137 1080368895 /nfs/dbraw/zinc/36/88/95/1080368895.db2.gz JZPWYRNGBIDUQC-RBUKOAKNSA-N 1 1 420.579 2.524 20 0 HFADMO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000807178137 1080368903 /nfs/dbraw/zinc/36/89/03/1080368903.db2.gz JZPWYRNGBIDUQC-RBUKOAKNSA-N 1 1 420.579 2.524 20 0 HFADMO CN1C(=S)N=NC1C1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000747381011 1080386792 /nfs/dbraw/zinc/38/67/92/1080386792.db2.gz QHZNNODTVVQCTL-QGZVFWFLSA-N 1 1 403.527 2.614 20 0 HFADMO CN1C(=S)N=NC1C1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000747381011 1080386795 /nfs/dbraw/zinc/38/67/95/1080386795.db2.gz QHZNNODTVVQCTL-QGZVFWFLSA-N 1 1 403.527 2.614 20 0 HFADMO Cc1csc(C(C)(C)NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)n1 ZINC000807272649 1080426553 /nfs/dbraw/zinc/42/65/53/1080426553.db2.gz KWWRIWGPQDJONU-UHFFFAOYSA-N 1 1 415.563 2.583 20 0 HFADMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)COc1cccc(I)c1 ZINC001130895083 1080430116 /nfs/dbraw/zinc/43/01/16/1080430116.db2.gz DQRAOFOGPIBDBS-CYBMUJFWSA-N 1 1 402.276 2.659 20 0 HFADMO CCOC(=O)C1C[N@@H+](Cc2ccccc2)CCC1=Nc1ncc(NC(C)=O)c(C)n1 ZINC001170521380 1080457773 /nfs/dbraw/zinc/45/77/73/1080457773.db2.gz GWKGGLSTCIZPLA-UHFFFAOYSA-N 1 1 409.490 2.878 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@H](N(C(=O)NCc2c[nH+]c3n2CCCC3)C2CC2)C1 ZINC000807264387 1080471282 /nfs/dbraw/zinc/47/12/82/1080471282.db2.gz KEZRUROUAHTZLL-INIZCTEOSA-N 1 1 403.527 2.903 20 0 HFADMO Cc1cc2c(cc1C)N(C(=O)C(=O)Nc1ccc(N3CCC[N@H+](C)CC3)cc1)CC2 ZINC000807307993 1080501041 /nfs/dbraw/zinc/50/10/41/1080501041.db2.gz NGJISOALHQIJHG-UHFFFAOYSA-N 1 1 406.530 2.973 20 0 HFADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)[C@@H](C)C1 ZINC000807318213 1080511071 /nfs/dbraw/zinc/51/10/71/1080511071.db2.gz HNEBFBKGEDASSY-HOTGVXAUSA-N 1 1 418.538 2.763 20 0 HFADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)[C@@H](C)C1 ZINC000807318213 1080511073 /nfs/dbraw/zinc/51/10/73/1080511073.db2.gz HNEBFBKGEDASSY-HOTGVXAUSA-N 1 1 418.538 2.763 20 0 HFADMO COc1cc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(OC)c1C(C)C ZINC000807358286 1080519691 /nfs/dbraw/zinc/51/96/91/1080519691.db2.gz TXVRMZSXQHSRAJ-SJPCQFCGSA-N 1 1 403.523 2.849 20 0 HFADMO CCOC(=O)C1=C(Nc2ccnc(CC(=O)OC)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001170522183 1080521206 /nfs/dbraw/zinc/52/12/06/1080521206.db2.gz BKYRJPVCNFJWRR-UHFFFAOYSA-N 1 1 409.486 2.932 20 0 HFADMO CCOC(=O)C1C[N@H+](Cc2ccccc2)CCC1=Nc1ccnc(CC(=O)OC)c1 ZINC001170522183 1080521211 /nfs/dbraw/zinc/52/12/11/1080521211.db2.gz BKYRJPVCNFJWRR-UHFFFAOYSA-N 1 1 409.486 2.932 20 0 HFADMO CCOC(=O)C1C[N@@H+](Cc2ccccc2)CCC1=Nc1ccnc(CC(=O)OC)c1 ZINC001170522183 1080521220 /nfs/dbraw/zinc/52/12/20/1080521220.db2.gz BKYRJPVCNFJWRR-UHFFFAOYSA-N 1 1 409.486 2.932 20 0 HFADMO CON(CC(C)(C)C)C(=O)C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000807359405 1080521938 /nfs/dbraw/zinc/52/19/38/1080521938.db2.gz AJRDZDUFWIJYJQ-UHFFFAOYSA-N 1 1 418.538 2.794 20 0 HFADMO O=C(CSc1n[nH]c(=S)s1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000747391872 1080529182 /nfs/dbraw/zinc/52/91/82/1080529182.db2.gz ZULVXEGNFJVUKY-UHFFFAOYSA-N 1 1 410.590 2.710 20 0 HFADMO Cc1ccc([C@H](O)[C@@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)cc1 ZINC000807342417 1080548070 /nfs/dbraw/zinc/54/80/70/1080548070.db2.gz XDQAJSFCHISSLO-AUUYWEPGSA-N 1 1 403.910 2.887 20 0 HFADMO Cc1cc(C)cc(CCNC(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000807427350 1080587897 /nfs/dbraw/zinc/58/78/97/1080587897.db2.gz QYNYOEVDYFSBIN-VWLOTQADSA-N 1 1 407.558 2.991 20 0 HFADMO CCC[N@H+](C)[C@H](CNC(=O)N(CCS(C)(=O)=O)C1CC1)c1ccc(Cl)cc1 ZINC000807410511 1080606594 /nfs/dbraw/zinc/60/65/94/1080606594.db2.gz OZMMMVYHCPBORA-GOSISDBHSA-N 1 1 415.987 2.942 20 0 HFADMO CCC[N@@H+](C)[C@H](CNC(=O)N(CCS(C)(=O)=O)C1CC1)c1ccc(Cl)cc1 ZINC000807410511 1080606599 /nfs/dbraw/zinc/60/65/99/1080606599.db2.gz OZMMMVYHCPBORA-GOSISDBHSA-N 1 1 415.987 2.942 20 0 HFADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCC[C@@](C)(O)c2ccccc2)C1 ZINC000807496175 1080689461 /nfs/dbraw/zinc/68/94/61/1080689461.db2.gz JADMDELLSGGBCR-JXALWOEJSA-N 1 1 415.578 2.513 20 0 HFADMO O=C(c1nc(Br)sc1C1CC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000807484025 1080739793 /nfs/dbraw/zinc/73/97/93/1080739793.db2.gz FJIXSFSNQUMLER-GFCCVEGCSA-N 1 1 414.369 2.967 20 0 HFADMO CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccc(C4(O)COC4)cc3)c2C1 ZINC000807532939 1080746862 /nfs/dbraw/zinc/74/68/62/1080746862.db2.gz VHSOYQIIOCHGFL-INIZCTEOSA-N 1 1 423.513 2.842 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N[C@@H](C)CCOCc2ccccc2)cn1 ZINC000807533194 1080747960 /nfs/dbraw/zinc/74/79/60/1080747960.db2.gz GQCGAJXGFDIIIM-INIZCTEOSA-N 1 1 407.474 2.626 20 0 HFADMO COC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1C ZINC000807543478 1080758090 /nfs/dbraw/zinc/75/80/90/1080758090.db2.gz OVZCLCBKNXWZRS-UZLBHIALSA-N 1 1 424.501 2.891 20 0 HFADMO Cc1nc2c(s1)[C@H](NC(=O)C(=O)N[C@H]1C[N@H+](Cc3ccccc3)C[C@H]1C)CCC2 ZINC000807546919 1080763570 /nfs/dbraw/zinc/76/35/70/1080763570.db2.gz SLGUXJLSOXQPIP-ZMYBRWDISA-N 1 1 412.559 2.582 20 0 HFADMO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)COc2cccc3[nH]ccc32)C[C@H]1c1ccc(O)cc1 ZINC001170527962 1080783634 /nfs/dbraw/zinc/78/36/34/1080783634.db2.gz SHFFVIORBPTUHI-YSIASYRMSA-N 1 1 410.470 2.502 20 0 HFADMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCN2C(=S)N=NC2c2ccc(OC)cc2)[C@@H](C)C1 ZINC000747406067 1080792609 /nfs/dbraw/zinc/79/26/09/1080792609.db2.gz WFDKAPWNYQQGNQ-MAUKXSAKSA-N 1 1 417.579 2.821 20 0 HFADMO COC[C@]1(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CCCN1C(=O)OC(C)(C)C ZINC000807554378 1080803015 /nfs/dbraw/zinc/80/30/15/1080803015.db2.gz TWRHDXLVJYLNTC-KGVIQGDOSA-N 1 1 424.586 2.528 20 0 HFADMO CCc1ccc(CNC(=O)C[N@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)OC)C2)s1 ZINC001170527631 1080813624 /nfs/dbraw/zinc/81/36/24/1080813624.db2.gz MNASGLAKJBGTMY-RBUKOAKNSA-N 1 1 402.516 2.521 20 0 HFADMO CCc1ccc(CNC(=O)C[N@@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)OC)C2)s1 ZINC001170527631 1080813628 /nfs/dbraw/zinc/81/36/28/1080813628.db2.gz MNASGLAKJBGTMY-RBUKOAKNSA-N 1 1 402.516 2.521 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC000807560927 1080816819 /nfs/dbraw/zinc/81/68/19/1080816819.db2.gz XLLFJPZBEFUOQV-LJQANCHMSA-N 1 1 414.937 2.686 20 0 HFADMO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ncc(I)s1 ZINC001203282277 1126157779 /nfs/dbraw/zinc/15/77/79/1126157779.db2.gz DCMRKGKZMMAUTI-OAHLLOKOSA-N 1 1 418.300 2.840 20 0 HFADMO CCOC(=O)[C@@]12CCO[C@H]1CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164431991 718974972 /nfs/dbraw/zinc/97/49/72/718974972.db2.gz DOCJEUOGIKLENU-XUZZJYLKSA-N 1 1 422.529 2.583 20 0 HFADMO CCOC(=O)[C@@]12CCO[C@H]1CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164431991 718974973 /nfs/dbraw/zinc/97/49/73/718974973.db2.gz DOCJEUOGIKLENU-XUZZJYLKSA-N 1 1 422.529 2.583 20 0 HFADMO COC(=O)c1cc2cnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc2n1C ZINC001164629198 719095693 /nfs/dbraw/zinc/09/56/93/719095693.db2.gz RAPJFXFAAHKBQX-YLJYHZDGSA-N 1 1 405.502 2.856 20 0 HFADMO C[C@@H]1CN([C@@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3NC2=O)[C@@H](C)C[N@@H+]1C ZINC001164639422 719230597 /nfs/dbraw/zinc/23/05/97/719230597.db2.gz QCPOSLDTWFYKEP-NQCMUKECSA-N 1 1 410.925 2.521 20 0 HFADMO C[C@@H]1CN([C@@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3NC2=O)[C@@H](C)C[N@H+]1C ZINC001164639422 719230601 /nfs/dbraw/zinc/23/06/01/719230601.db2.gz QCPOSLDTWFYKEP-NQCMUKECSA-N 1 1 410.925 2.521 20 0 HFADMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC000508342136 719236630 /nfs/dbraw/zinc/23/66/30/719236630.db2.gz TZOJGURVEMYNPY-JKSUJKDBSA-N 1 1 415.607 2.931 20 0 HFADMO COCCN1CC[N@H+](C)C2(CCN(c3cc(Cl)nc4cc(C)ccc43)CC2)C1=O ZINC001164639882 719276309 /nfs/dbraw/zinc/27/63/09/719276309.db2.gz KRUNQAVCNKCKFN-UHFFFAOYSA-N 1 1 416.953 2.956 20 0 HFADMO COCCN1CC[N@@H+](C)C2(CCN(c3cc(Cl)nc4cc(C)ccc43)CC2)C1=O ZINC001164639882 719276314 /nfs/dbraw/zinc/27/63/14/719276314.db2.gz KRUNQAVCNKCKFN-UHFFFAOYSA-N 1 1 416.953 2.956 20 0 HFADMO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)cc4cccc(C)c43)CC2)C1=O ZINC001164644707 719284106 /nfs/dbraw/zinc/28/41/06/719284106.db2.gz RFRQMNMOEJZPKV-UHFFFAOYSA-N 1 1 416.953 2.956 20 0 HFADMO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)cc4cccc(C)c43)CC2)C1=O ZINC001164644707 719284109 /nfs/dbraw/zinc/28/41/09/719284109.db2.gz RFRQMNMOEJZPKV-UHFFFAOYSA-N 1 1 416.953 2.956 20 0 HFADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4C[C@@H](c5nc(C6CC6)cs5)O[C@@H]4C3)n2)CC1 ZINC001164645591 719290423 /nfs/dbraw/zinc/29/04/23/719290423.db2.gz KZVVHSIVPGIEAP-RYQLBKOJSA-N 1 1 412.563 2.529 20 0 HFADMO CCOC(=O)c1ncnc(Cl)c1N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001164652844 719314255 /nfs/dbraw/zinc/31/42/55/719314255.db2.gz RPDWEURTPJPGKB-UHFFFAOYSA-N 1 1 406.918 2.708 20 0 HFADMO C[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccccn4)c(-c4ccccn4)nc3Cl)C[C@@H]21 ZINC001164665747 719483707 /nfs/dbraw/zinc/48/37/07/719483707.db2.gz BHADVBLSQYSDJZ-DLBZAZTESA-N 1 1 408.893 2.773 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)CC2 ZINC001164683682 719725021 /nfs/dbraw/zinc/72/50/21/719725021.db2.gz CMPHVEMFMHMRHD-UHFFFAOYSA-N 1 1 422.957 2.871 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncnc3oc(-c4ccc(C)cc4)nc31)CC2 ZINC001164689646 719741836 /nfs/dbraw/zinc/74/18/36/719741836.db2.gz JUMLTCJFEBNGGY-UHFFFAOYSA-N 1 1 420.517 2.774 20 0 HFADMO Cn1nnc2c1[C@H](COCc1cccnc1)CN(c1ccc(C[N@@H+](C)C3CC3)cn1)C2 ZINC001164694974 719835791 /nfs/dbraw/zinc/83/57/91/719835791.db2.gz KABLXJWUGCPMOB-IBGZPJMESA-N 1 1 419.533 2.520 20 0 HFADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(SC)nc2sccc21 ZINC001164704637 719842352 /nfs/dbraw/zinc/84/23/52/719842352.db2.gz SERXAAODTPQIBO-DJJJIMSYSA-N 1 1 422.576 2.646 20 0 HFADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2ccc(Cl)cc21 ZINC001164704688 719844734 /nfs/dbraw/zinc/84/47/34/719844734.db2.gz SIKGYQNPWWCJRD-YWZLYKJASA-N 1 1 404.898 2.516 20 0 HFADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)nc2sc(C)c(C)c21 ZINC001164698459 719853107 /nfs/dbraw/zinc/85/31/07/719853107.db2.gz CJOPTCRUCJLKRC-IIBYNOLFSA-N 1 1 418.563 2.849 20 0 HFADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2cc(C)ccc21 ZINC001164706727 719855645 /nfs/dbraw/zinc/85/56/45/719855645.db2.gz YPYXPLGWTNIBHL-YCRPNKLZSA-N 1 1 418.925 2.824 20 0 HFADMO CCOC(=O)c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)cc1OCC ZINC001164813929 720113255 /nfs/dbraw/zinc/11/32/55/720113255.db2.gz RRNXKOGYRBODPO-WZONZLPQSA-N 1 1 417.550 2.842 20 0 HFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(OC)ncc1F)CC2 ZINC001164719088 720114819 /nfs/dbraw/zinc/11/48/19/720114819.db2.gz VTYCNVSFMPOOOZ-KRWDZBQOSA-N 1 1 401.486 2.527 20 0 HFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3cccnc3n1)CC2 ZINC001164717455 720122196 /nfs/dbraw/zinc/12/21/96/720122196.db2.gz PCQNXTMXYAWHPP-HXUWFJFHSA-N 1 1 404.518 2.927 20 0 HFADMO CCNC(=O)c1cccnc1N1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164718605 720126223 /nfs/dbraw/zinc/12/62/23/720126223.db2.gz TULASVZPRUWLSE-FQEVSTJZSA-N 1 1 423.561 2.734 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(OC)nc(Cl)n1)C2 ZINC001164812882 720201255 /nfs/dbraw/zinc/20/12/55/720201255.db2.gz MTEYCMPQSJRFQB-KDOFPFPSSA-N 1 1 416.900 2.868 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)Oc1cnc(Cl)cn1)C2 ZINC001164815167 720202272 /nfs/dbraw/zinc/20/22/72/720202272.db2.gz WRMAGLFYJKPHGJ-PBHICJAKSA-N 1 1 402.873 2.739 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc(Cl)c1[C@@H](C)C(=O)OC)C2 ZINC001164811848 720202431 /nfs/dbraw/zinc/20/24/31/720202431.db2.gz KFSJRZDRSVHJKZ-ZJTDPSCFSA-N 1 1 422.957 2.591 20 0 HFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3ccncc3)cn1)CCC2 ZINC001164814565 720234690 /nfs/dbraw/zinc/23/46/90/720234690.db2.gz YXWRKDGWJJVRQB-UHFFFAOYSA-N 1 1 404.518 2.951 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc4cc(C)ccc43)C2)C1 ZINC001164722381 720269336 /nfs/dbraw/zinc/26/93/36/720269336.db2.gz QMDUGUAYTRAOOV-JOCHJYFZSA-N 1 1 416.953 2.861 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc4cc(C)ccc43)C2)C1 ZINC001164722381 720269340 /nfs/dbraw/zinc/26/93/40/720269340.db2.gz QMDUGUAYTRAOOV-JOCHJYFZSA-N 1 1 416.953 2.861 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc4cc(F)c(Cl)cc43)C2)C1 ZINC001164722219 720303288 /nfs/dbraw/zinc/30/32/88/720303288.db2.gz JNOREMBZUUXSBK-NRFANRHFSA-N 1 1 420.916 2.692 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccc4cc(F)c(Cl)cc43)C2)C1 ZINC001164722219 720303300 /nfs/dbraw/zinc/30/33/00/720303300.db2.gz JNOREMBZUUXSBK-NRFANRHFSA-N 1 1 420.916 2.692 20 0 HFADMO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(Cl)nc3[nH]cnc32)CC1 ZINC001164824541 720314466 /nfs/dbraw/zinc/31/44/66/720314466.db2.gz RMASWPOCXNXHQR-CABCVRRESA-N 1 1 402.930 2.523 20 0 HFADMO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164729913 720348485 /nfs/dbraw/zinc/34/84/85/720348485.db2.gz YWEXVPSBNBXPOH-CABCVRRESA-N 1 1 408.884 2.989 20 0 HFADMO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164729913 720348491 /nfs/dbraw/zinc/34/84/91/720348491.db2.gz YWEXVPSBNBXPOH-CABCVRRESA-N 1 1 408.884 2.989 20 0 HFADMO CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]21 ZINC001164828568 720419985 /nfs/dbraw/zinc/41/99/85/720419985.db2.gz XMOIKAFBXQJBEA-QRVBRYPASA-N 1 1 420.985 2.944 20 0 HFADMO CCCNC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164728324 720486245 /nfs/dbraw/zinc/48/62/45/720486245.db2.gz PEMZCQSWGRRSAO-IAGOWNOFSA-N 1 1 400.914 2.518 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc4ccc(=O)n(C)c4n3)CC[C@@H]21 ZINC001164841473 720548754 /nfs/dbraw/zinc/54/87/54/720548754.db2.gz WBHGSDJHCWCXTF-UFYCRDLUSA-N 1 1 406.534 2.508 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)cc4c3CNC4=O)CC[C@@H]21 ZINC001164836314 720563142 /nfs/dbraw/zinc/56/31/42/720563142.db2.gz JODJGODOHPZZER-MPGHIAIKSA-N 1 1 414.941 2.553 20 0 HFADMO CNC(=O)c1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1Cl ZINC001164837381 720563817 /nfs/dbraw/zinc/56/38/17/720563817.db2.gz MEROHIVKAOCHPD-JFIYKMOQSA-N 1 1 416.957 2.669 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3[nH+][n-]c(Cl)c4ncnc3-4)CC[C@@H]21 ZINC001164836822 720566755 /nfs/dbraw/zinc/56/67/55/720566755.db2.gz LGEBYMWCSMCGBA-ILXRZTDVSA-N 1 1 400.918 2.581 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(C(=O)N4CCCC4)ccn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833827 720574335 /nfs/dbraw/zinc/57/43/35/720574335.db2.gz BTORALOVVSVSDL-BHIFYINESA-N 1 1 422.577 2.892 20 0 HFADMO CCCNC(=O)c1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164843127 720601926 /nfs/dbraw/zinc/60/19/26/720601926.db2.gz WMUDOBWSZRNMLA-SVFBPWRDSA-N 1 1 410.566 2.796 20 0 HFADMO COC(=O)c1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ncc1N ZINC001164844828 720679378 /nfs/dbraw/zinc/67/93/78/720679378.db2.gz VEQWYXCYSVKGDT-GOSISDBHSA-N 1 1 410.518 2.710 20 0 HFADMO CCOC(=O)c1nccnc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164845330 720690661 /nfs/dbraw/zinc/69/06/61/720690661.db2.gz YHWWWEQCLNGALO-IBGZPJMESA-N 1 1 410.518 2.913 20 0 HFADMO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742041 720697581 /nfs/dbraw/zinc/69/75/81/720697581.db2.gz VMOJGFPXNXVFEB-STQMWFEESA-N 1 1 420.851 2.893 20 0 HFADMO Clc1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(-c2ccccc2)nn1 ZINC001164741486 720699448 /nfs/dbraw/zinc/69/94/48/720699448.db2.gz TZHGERYYYDETRI-DLBZAZTESA-N 1 1 408.893 2.929 20 0 HFADMO CON(C)C(=O)c1cccnc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164836451 720702781 /nfs/dbraw/zinc/70/27/81/720702781.db2.gz ATXVARBDFAIGEN-FQEVSTJZSA-N 1 1 424.545 2.975 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(NC(N)=S)cn1)CC2 ZINC001164840907 720720281 /nfs/dbraw/zinc/72/02/81/720720281.db2.gz SGMYEZZLJWOJAC-LJQANCHMSA-N 1 1 411.575 2.997 20 0 HFADMO Fc1cc2ncc(Cl)nc2cc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742909 720777051 /nfs/dbraw/zinc/77/70/51/720777051.db2.gz PIURJATZYRTHBU-STQMWFEESA-N 1 1 400.845 2.554 20 0 HFADMO CCOc1ccc(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1 ZINC001164738631 720781705 /nfs/dbraw/zinc/78/17/05/720781705.db2.gz GMPPSIQQIJOTSH-QUCCMNQESA-N 1 1 418.501 2.674 20 0 HFADMO Cc1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164747538 720800140 /nfs/dbraw/zinc/80/01/40/720800140.db2.gz OOTNTYYLUVPAJJ-SJORKVTESA-N 1 1 423.908 2.632 20 0 HFADMO Cc1cnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1-c1ccccc1F ZINC001164745515 720802067 /nfs/dbraw/zinc/80/20/67/720802067.db2.gz KQUUANLJUXOCEE-SJORKVTESA-N 1 1 406.465 2.723 20 0 HFADMO Cc1cc2c(ncnc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)s1 ZINC001164743381 720808841 /nfs/dbraw/zinc/80/88/41/720808841.db2.gz FSWBSWOJWZWBMJ-JENIJYKNSA-N 1 1 409.563 2.971 20 0 HFADMO FC(F)(c1nccc(Cl)n1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164752074 720814432 /nfs/dbraw/zinc/81/44/32/720814432.db2.gz YNZLTLHWRPDLSC-ARFHVFGLSA-N 1 1 423.899 2.646 20 0 HFADMO Fc1ccc2c(c1)ncnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743347 720814689 /nfs/dbraw/zinc/81/46/89/720814689.db2.gz FGDPWKDWMXXHDP-HGHGUNKESA-N 1 1 407.497 2.740 20 0 HFADMO Clc1ccc2c(ncnc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164742101 720816168 /nfs/dbraw/zinc/81/61/68/720816168.db2.gz PUBJANSCYPEJBY-XYJFISCASA-N 1 1 424.940 2.649 20 0 HFADMO Cc1cccc2c1ncnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739204 720819290 /nfs/dbraw/zinc/81/92/90/720819290.db2.gz HRYJOIGHKGTBQF-SFHLNBCPSA-N 1 1 403.534 2.909 20 0 HFADMO Fc1ccc2ncc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1 ZINC001164738792 720824620 /nfs/dbraw/zinc/82/46/20/720824620.db2.gz GRLUQMSHCAVTGO-PLMTUMEDSA-N 1 1 407.497 2.740 20 0 HFADMO Cc1nc(C)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164742774 720824690 /nfs/dbraw/zinc/82/46/90/720824690.db2.gz QWRZMLKHOWPCRP-FGTMMUONSA-N 1 1 401.946 2.718 20 0 HFADMO Clc1cnc(Cl)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164743339 720825491 /nfs/dbraw/zinc/82/54/91/720825491.db2.gz SHESNRRYKJANID-RBSFLKMASA-N 1 1 408.337 2.754 20 0 HFADMO CSc1nc(Cl)ncc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745117 720828397 /nfs/dbraw/zinc/82/83/97/720828397.db2.gz WJYIZRZOWIPBED-OWCLPIDISA-N 1 1 419.986 2.823 20 0 HFADMO Cc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ncc2c1 ZINC001164742136 720831403 /nfs/dbraw/zinc/83/14/03/720831403.db2.gz PYSHHNPGUMOCCQ-TUNNFDKTSA-N 1 1 403.534 2.909 20 0 HFADMO Clc1cnc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751825 720834263 /nfs/dbraw/zinc/83/42/63/720834263.db2.gz YZYUCHNJFXZTPR-VDZJLULYSA-N 1 1 424.940 2.649 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(SC)n3)CC[C@@H]2C1 ZINC001164854270 720837062 /nfs/dbraw/zinc/83/70/62/720837062.db2.gz QWZFFUJXGMOKCY-CHWSQXEVSA-N 1 1 422.929 2.570 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(Cl)cc4)nn3)CC[C@@H]2C1 ZINC001164854237 720838645 /nfs/dbraw/zinc/83/86/45/720838645.db2.gz QFWWWDQWCYFNSN-YLJYHZDGSA-N 1 1 402.926 2.971 20 0 HFADMO Clc1ccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH]c2n1 ZINC001164750324 720841893 /nfs/dbraw/zinc/84/18/93/720841893.db2.gz XGGMRIXAPQBMKO-HLLBOEOZSA-N 1 1 412.929 2.582 20 0 HFADMO Cc1cc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2s1 ZINC001164748877 720841999 /nfs/dbraw/zinc/84/19/99/720841999.db2.gz VAYCHSYTGFMGDZ-ZIFCJYIRSA-N 1 1 409.563 2.971 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nccnc3C3SCCCS3)CC[C@@H]2C1 ZINC001164857094 720846833 /nfs/dbraw/zinc/84/68/33/720846833.db2.gz XHUQBFDRPYPXIO-CVEARBPZSA-N 1 1 410.609 2.519 20 0 HFADMO CCCSc1cncc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164741929 720851158 /nfs/dbraw/zinc/85/11/58/720851158.db2.gz FYHQKDDLORPSKP-IPMKNSEASA-N 1 1 413.595 2.950 20 0 HFADMO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(-c5ccncc5)nn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164748126 720852020 /nfs/dbraw/zinc/85/20/20/720852020.db2.gz KJLRMVUCPRBVCR-JAXLGGSGSA-N 1 1 416.533 2.510 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(C(=O)Nc4ccccc4)ccn3)CC[C@H]2C1 ZINC001164852013 720857660 /nfs/dbraw/zinc/85/76/60/720857660.db2.gz BOURMVXOALZPMU-PZJWPPBQSA-N 1 1 410.518 2.507 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3ccc(-c4ccccc4Cl)nn3)CC[C@H]2C1 ZINC001164858309 720865025 /nfs/dbraw/zinc/86/50/25/720865025.db2.gz RWOHIABNFUDQIK-JXFKEZNVSA-N 1 1 402.926 2.971 20 0 HFADMO COc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164754819 720868041 /nfs/dbraw/zinc/86/80/41/720868041.db2.gz SPUJCJXCZHNIRC-REWPJTCUSA-N 1 1 409.534 2.635 20 0 HFADMO COc1cncc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164747253 720877336 /nfs/dbraw/zinc/87/73/36/720877336.db2.gz AXYMUADAKMDMTL-NZQKXSOJSA-N 1 1 409.534 2.635 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(C)nc(-c4ccc(Cl)nc4)n3)CC[C@@H]2C1 ZINC001164865243 720886037 /nfs/dbraw/zinc/88/60/37/720886037.db2.gz ZCQSGXVTWNXMCQ-QZTJIDSGSA-N 1 1 417.941 2.674 20 0 HFADMO COc1nc(C)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755383 720889619 /nfs/dbraw/zinc/88/96/19/720889619.db2.gz LSMHMVRMBXXALB-QPPBQGQZSA-N 1 1 423.561 2.944 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@@H]2CO[C@@H](CNC(=O)c3ccno3)[C@H]2C1 ZINC001164859132 720915120 /nfs/dbraw/zinc/91/51/20/720915120.db2.gz OZAVSSRIDUXKDV-KMFMINBZSA-N 1 1 404.898 2.725 20 0 HFADMO COCc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164746509 720932351 /nfs/dbraw/zinc/93/23/51/720932351.db2.gz BFAGEHGYUOAXQM-URXFXBBRSA-N 1 1 423.561 2.773 20 0 HFADMO CCOC(=O)c1cnc(Cl)cc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868741 721045624 /nfs/dbraw/zinc/04/56/24/721045624.db2.gz QENZHPQFCUYFDJ-IRXDYDNUSA-N 1 1 416.909 2.786 20 0 HFADMO CCOC(=O)/C=C\c1cccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870638 721050895 /nfs/dbraw/zinc/05/08/95/721050895.db2.gz WLGGOHQGVJOOJY-PNHFMCTPSA-N 1 1 408.502 2.533 20 0 HFADMO Cc1cc(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(Cl)n1 ZINC001164871415 721072557 /nfs/dbraw/zinc/07/25/57/721072557.db2.gz YQDXSPJGZGJMKL-JKSUJKDBSA-N 1 1 409.868 2.858 20 0 HFADMO CCOC(=O)c1cnc(Cl)cc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164773493 721073822 /nfs/dbraw/zinc/07/38/22/721073822.db2.gz XJMRZGPHBCQVPV-HOTGVXAUSA-N 1 1 403.914 2.604 20 0 HFADMO COC(=O)c1ccc2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)ccc2c1 ZINC001164863524 721079588 /nfs/dbraw/zinc/07/95/88/721079588.db2.gz CNZOYPXFVNVFGN-NHCUHLMSSA-N 1 1 418.497 2.896 20 0 HFADMO CCOC(=O)c1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)ncc1Cl ZINC001164763618 721081313 /nfs/dbraw/zinc/08/13/13/721081313.db2.gz GDYOXQHTZUAHEH-HOTGVXAUSA-N 1 1 403.914 2.604 20 0 HFADMO CSc1nc2c(c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n1)CCCC2 ZINC001164865686 721081558 /nfs/dbraw/zinc/08/15/58/721081558.db2.gz OHJXBGZDEBHIJD-MSOLQXFVSA-N 1 1 411.575 2.952 20 0 HFADMO COc1cc(C(F)(F)N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc(Cl)n1 ZINC001164771990 721084815 /nfs/dbraw/zinc/08/48/15/721084815.db2.gz SXBISRLBIHNUAK-CABCVRRESA-N 1 1 411.884 2.980 20 0 HFADMO Nc1cc(Cl)ncc1C(F)(F)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867637 721094393 /nfs/dbraw/zinc/09/43/93/721094393.db2.gz YZBUSVUDPSWTJM-LSDHHAIUSA-N 1 1 409.868 2.737 20 0 HFADMO CCOC(=O)c1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1 ZINC001164863815 721094662 /nfs/dbraw/zinc/09/46/62/721094662.db2.gz DHRILTNJKYUJMJ-ROUUACIJSA-N 1 1 416.909 2.786 20 0 HFADMO Nc1cc(Cl)nc(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164866006 721103757 /nfs/dbraw/zinc/10/37/57/721103757.db2.gz RADXAHJNYAUUOS-CVEARBPZSA-N 1 1 409.868 2.737 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccnc(NC(=O)OC(C)(C)C)n4)C[C@@H]3C2)cn1 ZINC001164765732 721107128 /nfs/dbraw/zinc/10/71/28/721107128.db2.gz KHKLVUUUCMAVOH-SJORKVTESA-N 1 1 413.526 2.515 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccnc(NC(=O)OC(C)(C)C)n4)C[C@@H]3C2)cn1 ZINC001164765729 721107245 /nfs/dbraw/zinc/10/72/45/721107245.db2.gz KHKLVUUUCMAVOH-IRXDYDNUSA-N 1 1 413.526 2.515 20 0 HFADMO COc1cc2c(cc1F)ncnc2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865469 721111778 /nfs/dbraw/zinc/11/17/78/721111778.db2.gz LNNABGDIHMSZLI-SJORKVTESA-N 1 1 409.465 2.652 20 0 HFADMO COC(=O)c1cc2ccccc2c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164880750 721153601 /nfs/dbraw/zinc/15/36/01/721153601.db2.gz XMFXRZDRVKLWTI-PMACEKPBSA-N 1 1 418.497 2.896 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(OCc5ccccc5)cnn4)C[C@H]3C2)cn1 ZINC001164772738 721153815 /nfs/dbraw/zinc/15/38/15/721153815.db2.gz VUWZKHWESJMAPM-LEWJYISDSA-N 1 1 404.518 2.747 20 0 HFADMO c1cncc(CO[C@@H]2C[C@@H]3CN(c4cncc(N5CCCCCC5)n4)CC[N@H+]3C2)c1 ZINC001164875416 721167593 /nfs/dbraw/zinc/16/75/93/721167593.db2.gz LMWKWDNDHGKGAC-NHCUHLMSSA-N 1 1 408.550 2.732 20 0 HFADMO COC(=O)c1cccc2nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)ccc21 ZINC001164869791 721169587 /nfs/dbraw/zinc/16/95/87/721169587.db2.gz BPZUQZKSMDHWQJ-OALUTQOASA-N 1 1 418.497 2.896 20 0 HFADMO CCCSc1ncnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1OC ZINC001164866453 721188219 /nfs/dbraw/zinc/18/82/19/721188219.db2.gz ASRWUTOCDKSWDX-MSOLQXFVSA-N 1 1 415.563 2.862 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@]2(C1)C[C@H](NC(=O)c1cnccn1)CCO2 ZINC001164870753 721217459 /nfs/dbraw/zinc/21/74/59/721217459.db2.gz HNSJMAIKESICEZ-IIBYNOLFSA-N 1 1 415.925 2.814 20 0 HFADMO COC(=O)c1cc(Cl)c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nc1C ZINC001164760507 721236987 /nfs/dbraw/zinc/23/69/87/721236987.db2.gz FIRCPDFGEVWTQT-HOTGVXAUSA-N 1 1 403.914 2.522 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@H]2COC[C@@]2(COCC(=O)N2CCCC2)C1 ZINC001164887499 721339337 /nfs/dbraw/zinc/33/93/37/721339337.db2.gz UZVJPLOKGCXHGD-LAUBAEHRSA-N 1 1 407.942 2.558 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nnc(Cl)cc3F)C2)C1 ZINC001164779245 721350517 /nfs/dbraw/zinc/35/05/17/721350517.db2.gz RQPKJJUUWPLXPK-LJQANCHMSA-N 1 1 409.893 2.993 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nnc(Cl)cc3F)C2)C1 ZINC001164779245 721350521 /nfs/dbraw/zinc/35/05/21/721350521.db2.gz RQPKJJUUWPLXPK-LJQANCHMSA-N 1 1 409.893 2.993 20 0 HFADMO CSc1ccc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nn1 ZINC001164787803 721366839 /nfs/dbraw/zinc/36/68/39/721366839.db2.gz ZXDAQTBFTYZTBE-HXUWFJFHSA-N 1 1 403.552 2.922 20 0 HFADMO CSc1ccc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nn1 ZINC001164787803 721366842 /nfs/dbraw/zinc/36/68/42/721366842.db2.gz ZXDAQTBFTYZTBE-HXUWFJFHSA-N 1 1 403.552 2.922 20 0 HFADMO Cc1nc2cc(F)ccc2c(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164890901 721397747 /nfs/dbraw/zinc/39/77/47/721397747.db2.gz PCQJWXBDRYXNNX-XXBNENTESA-N 1 1 413.541 2.843 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc5[nH]ccc5cc4Cl)C3)O2)CC1 ZINC001164885799 721420595 /nfs/dbraw/zinc/42/05/95/721420595.db2.gz HMVSCWMSCDJIGV-DYESRHJHSA-N 1 1 403.958 2.933 20 0 HFADMO CC(C)COc1cccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164897771 721427696 /nfs/dbraw/zinc/42/76/96/721427696.db2.gz URUNZTGJWCOVIM-NZQKXSOJSA-N 1 1 402.583 2.882 20 0 HFADMO Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(-c2ccccn2)n1 ZINC001164894277 721432682 /nfs/dbraw/zinc/43/26/82/721432682.db2.gz LJVJPGLAIKTOGR-GBXCKJPGSA-N 1 1 422.577 2.612 20 0 HFADMO Cc1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(C(C)(C)C)n1 ZINC001164898411 721439154 /nfs/dbraw/zinc/43/91/54/721439154.db2.gz VYOAQPOURFOFJD-CVDCTZTESA-N 1 1 401.599 2.848 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(NC3CC3)n1)CC2 ZINC001164790375 721448578 /nfs/dbraw/zinc/44/85/78/721448578.db2.gz YPSHGOQSECEGHR-FQEVSTJZSA-N 1 1 415.582 2.785 20 0 HFADMO CCOC[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)Cc2cnn(C)c21 ZINC001164793060 721476791 /nfs/dbraw/zinc/47/67/91/721476791.db2.gz RGEMEAUQCULJPQ-FQEVSTJZSA-N 1 1 418.545 2.909 20 0 HFADMO CCOC[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)Cc2cnn(C)c21 ZINC001164793060 721476793 /nfs/dbraw/zinc/47/67/93/721476793.db2.gz RGEMEAUQCULJPQ-FQEVSTJZSA-N 1 1 418.545 2.909 20 0 HFADMO Cc1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C(N)=O ZINC001164897698 721513393 /nfs/dbraw/zinc/51/33/93/721513393.db2.gz GIAZXEMXAXJRKS-ZBFHGGJFSA-N 1 1 404.873 2.623 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)ncn2)[C@@H]2CCCO[C@@H]12 ZINC001164795155 721524529 /nfs/dbraw/zinc/52/45/29/721524529.db2.gz KOMGWIYASUMQDY-IIDMSEBBSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)ncn2)[C@@H]2CCCO[C@@H]12 ZINC001164795155 721524531 /nfs/dbraw/zinc/52/45/31/721524531.db2.gz KOMGWIYASUMQDY-IIDMSEBBSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(N3CCCCC3)nn2)[C@H]2CCCO[C@H]12 ZINC001164794539 721524998 /nfs/dbraw/zinc/52/49/98/721524998.db2.gz FSKWUIHZDUJNAA-MZKRTTBSSA-N 1 1 408.550 2.730 20 0 HFADMO COC(=O)c1c[nH]c2nc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)ccc12 ZINC001164900822 721525100 /nfs/dbraw/zinc/52/51/00/721525100.db2.gz VCRYDFOVENDLLE-WBVHZDCISA-N 1 1 410.449 2.831 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(N3CCCCC3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164794536 721525161 /nfs/dbraw/zinc/52/51/61/721525161.db2.gz FSKWUIHZDUJNAA-MIZPHKNDSA-N 1 1 408.550 2.730 20 0 HFADMO COCCn1ccc2c1ncnc2N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164906407 721538125 /nfs/dbraw/zinc/53/81/25/721538125.db2.gz KZSAJSCXCBYYEK-MJGOQNOKSA-N 1 1 411.481 2.559 20 0 HFADMO COC(=O)c1cc2ccncc2nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164908157 721538442 /nfs/dbraw/zinc/53/84/42/721538442.db2.gz PDABEDQOTVMRKF-PKOBYXMFSA-N 1 1 422.460 2.897 20 0 HFADMO O=C1NCc2c1c(N1CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C1)nc(Cl)c2F ZINC001164908114 721539198 /nfs/dbraw/zinc/53/91/98/721539198.db2.gz OSICEIWZUPROKW-OCCSQVGLSA-N 1 1 420.847 2.599 20 0 HFADMO CCOc1ccc(C(=O)OC)c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164911026 721539759 /nfs/dbraw/zinc/53/97/59/721539759.db2.gz VEMMPUYVCFQIHM-SJLPKXTDSA-N 1 1 415.465 2.748 20 0 HFADMO CNC(=O)c1nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1Cl ZINC001164903425 721542056 /nfs/dbraw/zinc/54/20/56/721542056.db2.gz CLTCZQUAEIVYRA-GDBMZVCRSA-N 1 1 404.873 2.576 20 0 HFADMO CCOC(=O)c1ncnc(Cl)c1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164908163 721550360 /nfs/dbraw/zinc/55/03/60/721550360.db2.gz PICDRKCGAIBWLA-GOEBONIOSA-N 1 1 420.872 2.788 20 0 HFADMO COC(=O)c1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ccc1Cl ZINC001164806621 721552429 /nfs/dbraw/zinc/55/24/29/721552429.db2.gz PIGIVJNNFAEYMV-ABSDTBQOSA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ccc1Cl ZINC001164806624 721552533 /nfs/dbraw/zinc/55/25/33/721552533.db2.gz PIGIVJNNFAEYMV-ZWOKBUDYSA-N 1 1 416.909 2.785 20 0 HFADMO O=c1ccccn1Cc1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164911295 721555877 /nfs/dbraw/zinc/55/58/77/721555877.db2.gz YSSCFUNVBRUZTM-IRLDBZIGSA-N 1 1 420.488 2.773 20 0 HFADMO CN(C)C(=O)c1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1 ZINC001164907575 721555995 /nfs/dbraw/zinc/55/59/95/721555995.db2.gz OOTLUBPQIIWABX-WMZOPIPTSA-N 1 1 418.900 2.918 20 0 HFADMO CCOc1c(Cl)ncnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164804031 721558851 /nfs/dbraw/zinc/55/88/51/721558851.db2.gz KULTVFKERFJLEG-YESZJQIVSA-N 1 1 403.914 2.792 20 0 HFADMO CCOc1c(Cl)ncnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164804031 721558854 /nfs/dbraw/zinc/55/88/54/721558854.db2.gz KULTVFKERFJLEG-YESZJQIVSA-N 1 1 403.914 2.792 20 0 HFADMO CCOC(=O)c1c(C)ccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164809856 721569063 /nfs/dbraw/zinc/56/90/63/721569063.db2.gz XONQGZANYRFMGF-ZJOUEHCJSA-N 1 1 410.518 2.830 20 0 HFADMO CCOC(=O)c1c(C)ccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164809856 721569064 /nfs/dbraw/zinc/56/90/64/721569064.db2.gz XONQGZANYRFMGF-ZJOUEHCJSA-N 1 1 410.518 2.830 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cncc(Cl)n2)[C@@H]2CCCO[C@@H]12 ZINC001164805834 721569526 /nfs/dbraw/zinc/56/95/26/721569526.db2.gz PAPUELNOZCYFMP-IIDMSEBBSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cncc(Cl)n2)[C@@H]2CCCO[C@@H]12 ZINC001164805834 721569529 /nfs/dbraw/zinc/56/95/29/721569529.db2.gz PAPUELNOZCYFMP-IIDMSEBBSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc(-c3cccc(F)c3)n2)[C@H]2CCCO[C@@H]12 ZINC001164810781 721582076 /nfs/dbraw/zinc/58/20/76/721582076.db2.gz WDZWBYSKSQPMOW-PWRODBHTSA-N 1 1 420.492 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc(-c3cccc(F)c3)n2)[C@H]2CCCO[C@@H]12 ZINC001164810781 721582077 /nfs/dbraw/zinc/58/20/77/721582077.db2.gz WDZWBYSKSQPMOW-PWRODBHTSA-N 1 1 420.492 2.941 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccn3)nn2)[C@@H]2CCCO[C@H]12 ZINC001164809500 721583508 /nfs/dbraw/zinc/58/35/08/721583508.db2.gz SRWVMBZUPWNCCH-XPNTWCBSSA-N 1 1 402.502 2.802 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccn3)nn2)[C@@H]2CCCO[C@H]12 ZINC001164809500 721583510 /nfs/dbraw/zinc/58/35/10/721583510.db2.gz SRWVMBZUPWNCCH-XPNTWCBSSA-N 1 1 402.502 2.802 20 0 HFADMO C[C@@H]1CCCN(c2cc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)ncn2)C1 ZINC001164800179 721585238 /nfs/dbraw/zinc/58/52/38/721585238.db2.gz CILIGHKGDJQGPA-KDNSLJGTSA-N 1 1 422.577 2.976 20 0 HFADMO CC(C)OC(=O)c1cccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164809528 721588493 /nfs/dbraw/zinc/58/84/93/721588493.db2.gz SUUYMHCLSGQWAA-ACRUOGEOSA-N 1 1 410.518 2.910 20 0 HFADMO CC(C)OC(=O)c1cccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164809528 721588495 /nfs/dbraw/zinc/58/84/95/721588495.db2.gz SUUYMHCLSGQWAA-ACRUOGEOSA-N 1 1 410.518 2.910 20 0 HFADMO CN(Cc1cccnc1)[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)[C@H]2CCCO[C@H]12 ZINC001164811245 721589705 /nfs/dbraw/zinc/58/97/05/721589705.db2.gz WXJPDZHIWDMDBO-ZRBLBEILSA-N 1 1 407.562 2.941 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc[n+]([O-])c(Cl)c2)[C@H]2CCCO[C@@H]12 ZINC001164809493 721591142 /nfs/dbraw/zinc/59/11/42/721591142.db2.gz SOVYINZANJDOQO-YQVWRLOYSA-N 1 1 424.879 2.782 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc[n+]([O-])c(Cl)c2)[C@H]2CCCO[C@@H]12 ZINC001164809493 721591143 /nfs/dbraw/zinc/59/11/43/721591143.db2.gz SOVYINZANJDOQO-YQVWRLOYSA-N 1 1 424.879 2.782 20 0 HFADMO C[C@@H]1C(=O)Nc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c21 ZINC001164905684 721709409 /nfs/dbraw/zinc/70/94/09/721709409.db2.gz IJXWJGHLAAVYNG-VBKZILBWSA-N 1 1 414.460 2.665 20 0 HFADMO Cc1nc(Cl)cc(C(F)(F)N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165007995 721732728 /nfs/dbraw/zinc/73/27/28/721732728.db2.gz ILEUSBOSASCOJN-UHFFFAOYSA-N 1 1 401.889 2.506 20 0 HFADMO C[C@H]1C(=O)Nc2ncnc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c21 ZINC001164910085 721756402 /nfs/dbraw/zinc/75/64/02/721756402.db2.gz LONXOQSMEXRENL-CQSZACIVSA-N 1 1 404.474 2.715 20 0 HFADMO C[C@H]1C(=O)Nc2ncnc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c21 ZINC001164910085 721756406 /nfs/dbraw/zinc/75/64/06/721756406.db2.gz LONXOQSMEXRENL-CQSZACIVSA-N 1 1 404.474 2.715 20 0 HFADMO CN(C)c1nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc2nc[nH]c21 ZINC001164910068 721756866 /nfs/dbraw/zinc/75/68/66/721756866.db2.gz KOGMKWMPPKNPSW-UHFFFAOYSA-N 1 1 418.505 2.602 20 0 HFADMO CN(C)c1nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc2nc[nH]c21 ZINC001164910068 721756869 /nfs/dbraw/zinc/75/68/69/721756869.db2.gz KOGMKWMPPKNPSW-UHFFFAOYSA-N 1 1 418.505 2.602 20 0 HFADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(C(N)=O)nc(C3CC3)n1)C2 ZINC001164910894 721766340 /nfs/dbraw/zinc/76/63/40/721766340.db2.gz LUOWKGBEJKWBMD-UHFFFAOYSA-N 1 1 418.501 2.636 20 0 HFADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(C(N)=O)nc(C3CC3)n1)C2 ZINC001164910894 721766345 /nfs/dbraw/zinc/76/63/45/721766345.db2.gz LUOWKGBEJKWBMD-UHFFFAOYSA-N 1 1 418.501 2.636 20 0 HFADMO Cc1cc2ncnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2s1 ZINC001164916029 721791735 /nfs/dbraw/zinc/79/17/35/721791735.db2.gz OAUKBMTZDOWLME-OAQYLSRUSA-N 1 1 411.531 2.503 20 0 HFADMO Cc1cc2ncnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2s1 ZINC001164916029 721791737 /nfs/dbraw/zinc/79/17/37/721791737.db2.gz OAUKBMTZDOWLME-OAQYLSRUSA-N 1 1 411.531 2.503 20 0 HFADMO CN1CCN(c2cccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)n2)CC1 ZINC001165025898 721817736 /nfs/dbraw/zinc/81/77/36/721817736.db2.gz ODNWZCDBFWMQMM-PMVMPFDFSA-N 1 1 420.605 2.965 20 0 HFADMO CN1CCN(c2cccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)n2)CC1 ZINC001165025898 721817737 /nfs/dbraw/zinc/81/77/37/721817737.db2.gz ODNWZCDBFWMQMM-PMVMPFDFSA-N 1 1 420.605 2.965 20 0 HFADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc(Oc2ccc(F)cc2)n1 ZINC001164927102 721869781 /nfs/dbraw/zinc/86/97/81/721869781.db2.gz UOKCTSMXNPYEPB-HZPDHXFCSA-N 1 1 406.893 2.671 20 0 HFADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc(Oc2ccc(F)cc2)n1 ZINC001164927102 721869782 /nfs/dbraw/zinc/86/97/82/721869782.db2.gz UOKCTSMXNPYEPB-HZPDHXFCSA-N 1 1 406.893 2.671 20 0 HFADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(-c2ccc3c(c2)OCCCO3)nn1 ZINC001164933300 721883408 /nfs/dbraw/zinc/88/34/08/721883408.db2.gz LOFBZLMMYJUJAT-VQTJNVASSA-N 1 1 409.534 2.520 20 0 HFADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(-c2ccc3c(c2)OCCCO3)nn1 ZINC001164933300 721883411 /nfs/dbraw/zinc/88/34/11/721883411.db2.gz LOFBZLMMYJUJAT-VQTJNVASSA-N 1 1 409.534 2.520 20 0 HFADMO CCOC(=O)c1nccnc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939705 721925813 /nfs/dbraw/zinc/92/58/13/721925813.db2.gz LKNDSCJLDMSWEM-UHFFFAOYSA-N 1 1 410.518 2.833 20 0 HFADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc5c(n4)NC(=O)CO5)CC3)C2)cc1 ZINC001164939377 721927083 /nfs/dbraw/zinc/92/70/83/721927083.db2.gz KQFQYFRPNRCQLB-UHFFFAOYSA-N 1 1 408.502 2.592 20 0 HFADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(C3CC3)nc3[nH]ccc31)CC2 ZINC001164948938 721980604 /nfs/dbraw/zinc/98/06/04/721980604.db2.gz NMSHDANBAOAKMY-UHFFFAOYSA-N 1 1 416.529 2.806 20 0 HFADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(C3CC3)nc3[nH]ccc31)CC2 ZINC001164948938 721980607 /nfs/dbraw/zinc/98/06/07/721980607.db2.gz NMSHDANBAOAKMY-UHFFFAOYSA-N 1 1 416.529 2.806 20 0 HFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@H]3CN(S(C)(=O)=O)C[C@@H]32)nc1 ZINC001164952000 721985941 /nfs/dbraw/zinc/98/59/41/721985941.db2.gz NYHOZFSWMNTYQA-ZCNNSNEGSA-N 1 1 406.596 2.879 20 0 HFADMO COC(=O)c1ccc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1C(=O)OC ZINC001164952734 722013881 /nfs/dbraw/zinc/01/38/81/722013881.db2.gz AYHXXMXMTJNKTM-UHFFFAOYSA-N 1 1 424.501 2.542 20 0 HFADMO O=C1CCC(=O)N1Cc1ccc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001164956073 722020130 /nfs/dbraw/zinc/02/01/30/722020130.db2.gz VZZTZIJCGDWTNT-UHFFFAOYSA-N 1 1 419.529 2.618 20 0 HFADMO CN(C)c1nc(Cl)cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164958146 722051575 /nfs/dbraw/zinc/05/15/75/722051575.db2.gz DAOITHSTRZRWGN-UHFFFAOYSA-N 1 1 416.957 2.710 20 0 HFADMO Cc1cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1NC1CC1 ZINC001164958837 722051957 /nfs/dbraw/zinc/05/19/57/722051957.db2.gz GYIARDNLWIYSDP-UHFFFAOYSA-N 1 1 408.550 2.873 20 0 HFADMO c1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(OC2CCC2)n1 ZINC001164961660 722061255 /nfs/dbraw/zinc/06/12/55/722061255.db2.gz NRQJVLXTRFMKCR-UHFFFAOYSA-N 1 1 409.534 2.922 20 0 HFADMO CCOC(=O)/C=C\c1cccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980806 722102111 /nfs/dbraw/zinc/10/21/11/722102111.db2.gz KKUOAIRNOXGEPC-XPWGKKGLSA-N 1 1 422.529 2.780 20 0 HFADMO COC(=O)c1c(Cl)ccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984745 722102530 /nfs/dbraw/zinc/10/25/30/722102530.db2.gz UKTGVCLERJOSST-WMZOPIPTSA-N 1 1 416.909 2.644 20 0 HFADMO COC(=O)c1cc(Cl)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164985885 722102556 /nfs/dbraw/zinc/10/25/56/722102556.db2.gz XLAHKDARRWYHCX-FUHWJXTLSA-N 1 1 416.909 2.644 20 0 HFADMO FC(F)(c1cnc(Cl)nc1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985878 722105860 /nfs/dbraw/zinc/10/58/60/722105860.db2.gz XJVYRSQUZYOIPP-NVXWUHKLSA-N 1 1 409.868 2.797 20 0 HFADMO Clc1nc2cccnc2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982304 722106741 /nfs/dbraw/zinc/10/67/41/722106741.db2.gz NDXDCTYXARBFRJ-WMZOPIPTSA-N 1 1 410.909 2.801 20 0 HFADMO CCOc1nc(Cl)cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981884 722109548 /nfs/dbraw/zinc/10/95/48/722109548.db2.gz VJYVAMXMZDSFPJ-SJORKVTESA-N 1 1 403.914 2.651 20 0 HFADMO Clc1nc2cccnc2nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975810 722116231 /nfs/dbraw/zinc/11/62/31/722116231.db2.gz LBRAGVJMQYCOKJ-AEFFLSMTSA-N 1 1 410.909 2.801 20 0 HFADMO COc1ccc2c(c1)ncnc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975625 722118387 /nfs/dbraw/zinc/11/83/87/722118387.db2.gz KBOINCRWEJDADR-PGRDOPGGSA-N 1 1 405.502 2.761 20 0 HFADMO CC(C)(C)NC(=O)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164983122 722119251 /nfs/dbraw/zinc/11/92/51/722119251.db2.gz YIDFMNLLMZFBOS-RTWAWAEBSA-N 1 1 423.561 2.732 20 0 HFADMO CSc1cnc(Cl)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982693 722136579 /nfs/dbraw/zinc/13/65/79/722136579.db2.gz SCYYXKXEXODUOE-JKSUJKDBSA-N 1 1 405.955 2.974 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4ccnc(N5CCCCC5)n4)CC[C@H]3C2)c1 ZINC001164973287 722138371 /nfs/dbraw/zinc/13/83/71/722138371.db2.gz BQRYRLJOACXHCS-SFTDATJTSA-N 1 1 408.550 2.589 20 0 HFADMO Fc1cccc(-c2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164978917 722145541 /nfs/dbraw/zinc/14/55/41/722145541.db2.gz KXLZWMIUPAATDG-TZIWHRDSSA-N 1 1 420.492 2.800 20 0 HFADMO Cc1nc(CN2CCO[C@@H]3CCN(c4nc(NC5CC5)cc[nH+]4)CC[C@H]32)cs1 ZINC001164987942 722173694 /nfs/dbraw/zinc/17/36/94/722173694.db2.gz PPLKPQWOLVRVJN-QZTJIDSGSA-N 1 1 400.552 2.686 20 0 HFADMO Cc1cc(Cl)ncc1C(F)(F)N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164997747 722233645 /nfs/dbraw/zinc/23/36/45/722233645.db2.gz VBSHKYQBAARCTD-UHFFFAOYSA-N 1 1 422.911 2.735 20 0 HFADMO CN(Cc1ccccc1)CC(C)(C)C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000747099515 1078052124 /nfs/dbraw/zinc/05/21/24/1078052124.db2.gz DKWVUTQJMJLZDH-UHFFFAOYSA-N 1 1 417.566 2.999 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000790581698 1078061235 /nfs/dbraw/zinc/06/12/35/1078061235.db2.gz CHWILFFTAOHKQB-KRWDZBQOSA-N 1 1 413.559 2.753 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000790581702 1078061267 /nfs/dbraw/zinc/06/12/67/1078061267.db2.gz CHWILFFTAOHKQB-QGZVFWFLSA-N 1 1 413.559 2.753 20 0 HFADMO C[C@@H]1C[C@@H](NC(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000793087383 1078065301 /nfs/dbraw/zinc/06/53/01/1078065301.db2.gz YCHJHZJBZDOZCN-CDMIOBSGSA-N 1 1 400.523 2.712 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]CC(=O)N1CCN(C2CCCCC2)CC1 ZINC001170425006 1078069524 /nfs/dbraw/zinc/06/95/24/1078069524.db2.gz NZAHYDFIOOLUJO-IBGZPJMESA-N 1 1 401.551 2.803 20 0 HFADMO Cc1nn(C)c(C)c1[C@@H](C)C(=O)OCC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000746933367 1078071507 /nfs/dbraw/zinc/07/15/07/1078071507.db2.gz CSLGFNGNGYKUFK-AEFFLSMTSA-N 1 1 412.534 2.589 20 0 HFADMO CC[N@H+]1CCC[C@H]1CNC(=S)NCc1nc(-c2cccc(Br)c2)no1 ZINC000790616674 1078077802 /nfs/dbraw/zinc/07/78/02/1078077802.db2.gz WDYLVZYBIINSPB-AWEZNQCLSA-N 1 1 424.368 2.948 20 0 HFADMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)C[C@H](C)O1 ZINC000793186521 1078096475 /nfs/dbraw/zinc/09/64/75/1078096475.db2.gz UIJFSFRHYWLNCK-XWTMOSNGSA-N 1 1 409.571 2.732 20 0 HFADMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)C[C@H](C)O1 ZINC000793186521 1078096482 /nfs/dbraw/zinc/09/64/82/1078096482.db2.gz UIJFSFRHYWLNCK-XWTMOSNGSA-N 1 1 409.571 2.732 20 0 HFADMO CCCCCCN(CCN1CCOCC1)C(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000793189921 1078096833 /nfs/dbraw/zinc/09/68/33/1078096833.db2.gz VRZTYHHWLVWCHX-UHFFFAOYSA-N 1 1 416.570 2.577 20 0 HFADMO C[N@@H+](CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)C1CCCCC1 ZINC000793213713 1078099283 /nfs/dbraw/zinc/09/92/83/1078099283.db2.gz DWEXJZPYJUNCTG-OYRHEFFESA-N 1 1 424.545 2.959 20 0 HFADMO C[C@@H](NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1nnnn1C1CC1 ZINC000790721314 1078108430 /nfs/dbraw/zinc/10/84/30/1078108430.db2.gz IFYQMRGZKVRMDS-VGSWGCGISA-N 1 1 409.538 2.767 20 0 HFADMO C[C@@]1([NH2+]Cc2cn(Cc3cccnc3)nn2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793343455 1078131177 /nfs/dbraw/zinc/13/11/77/1078131177.db2.gz MELZVUGDXBKFHW-JOCHJYFZSA-N 1 1 406.490 2.612 20 0 HFADMO COC(=O)[C@]12C[N@@H+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)C[C@H]1COCC2 ZINC000793346901 1078132996 /nfs/dbraw/zinc/13/29/96/1078132996.db2.gz TXNLTAFTQUFWAY-FDDCHVKYSA-N 1 1 416.518 2.996 20 0 HFADMO C[C@@H](CNC(=O)CCc1ccccc1NC(=O)OC(C)(C)C)CN1CC[NH+](C)CC1 ZINC000790795946 1078136957 /nfs/dbraw/zinc/13/69/57/1078136957.db2.gz BIELOHGUUFGPSN-SFHVURJKSA-N 1 1 418.582 2.966 20 0 HFADMO CCOC(=O)c1cn(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1C(F)(F)F ZINC000772831230 1078137681 /nfs/dbraw/zinc/13/76/81/1078137681.db2.gz ZPWDVMVTRTZBLZ-BBRMVZONSA-N 1 1 400.445 2.985 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCC(NC(=O)Oc2ccccc2)CC1 ZINC000793367024 1078149335 /nfs/dbraw/zinc/14/93/35/1078149335.db2.gz WOMJAVOVCMDCSX-UHFFFAOYSA-N 1 1 422.489 2.616 20 0 HFADMO C[C@H](O)C[NH+]1CCN(C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CC1 ZINC000793445660 1078173581 /nfs/dbraw/zinc/17/35/81/1078173581.db2.gz PXAUNJRSRHYEPL-INIZCTEOSA-N 1 1 403.523 2.513 20 0 HFADMO CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N3CC[NH+](CC(C)(C)O)CC3)ccc21 ZINC000793449598 1078174530 /nfs/dbraw/zinc/17/45/30/1078174530.db2.gz ZEJORJYSOYSNDU-UHFFFAOYSA-N 1 1 417.550 2.903 20 0 HFADMO Cc1nc(SC(F)F)sc1CC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000793461522 1078179705 /nfs/dbraw/zinc/17/97/05/1078179705.db2.gz MZWBWELAAYEUFH-AWEZNQCLSA-N 1 1 418.579 2.937 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000793496381 1078202845 /nfs/dbraw/zinc/20/28/45/1078202845.db2.gz DPRUHOUSDAEWJH-ZIAGYGMSSA-N 1 1 416.526 2.693 20 0 HFADMO COCC1(C(=O)NCCn2cc[nH+]c2C(C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793502428 1078204415 /nfs/dbraw/zinc/20/44/15/1078204415.db2.gz ZUGLUQJHYBDZTD-UHFFFAOYSA-N 1 1 408.543 2.786 20 0 HFADMO C[C@@H](NC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C)C1([NH+]2CCOCC2)CCCC1 ZINC000793575990 1078212998 /nfs/dbraw/zinc/21/29/98/1078212998.db2.gz WXNBLPNMOUOMCB-SJORKVTESA-N 1 1 409.571 2.782 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CN2C(=O)NC3(CCCCCCC3)C2=O)C1 ZINC000793591468 1078218031 /nfs/dbraw/zinc/21/80/31/1078218031.db2.gz BESGCXGZDRBXND-JOCHJYFZSA-N 1 1 413.518 2.796 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CN2C(=O)NC3(CCCCCCC3)C2=O)C1 ZINC000793591468 1078218033 /nfs/dbraw/zinc/21/80/33/1078218033.db2.gz BESGCXGZDRBXND-JOCHJYFZSA-N 1 1 413.518 2.796 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CN2C[C@@H](c3cccc(OC)c3)CC2=O)C1 ZINC000793597461 1078219886 /nfs/dbraw/zinc/21/98/86/1078219886.db2.gz LKGVBSBLGLTYGQ-YADARESESA-N 1 1 408.498 2.785 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CN2C[C@@H](c3cccc(OC)c3)CC2=O)C1 ZINC000793597461 1078219889 /nfs/dbraw/zinc/21/98/89/1078219889.db2.gz LKGVBSBLGLTYGQ-YADARESESA-N 1 1 408.498 2.785 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CN2C(=O)CN(/C=C\c3ccccc3)C2=O)C1 ZINC000793601833 1078221004 /nfs/dbraw/zinc/22/10/04/1078221004.db2.gz XSQBFUCVJUZBJC-PEBGULEFSA-N 1 1 419.481 2.696 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CN2C(=O)CN(/C=C\c3ccccc3)C2=O)C1 ZINC000793601833 1078221009 /nfs/dbraw/zinc/22/10/09/1078221009.db2.gz XSQBFUCVJUZBJC-PEBGULEFSA-N 1 1 419.481 2.696 20 0 HFADMO COc1cc(CN2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc(Cl)c1OC ZINC000793603850 1078221959 /nfs/dbraw/zinc/22/19/59/1078221959.db2.gz LXSBWLMHCQUGOR-OAHLLOKOSA-N 1 1 413.946 2.998 20 0 HFADMO COc1cc(CN2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc(Cl)c1OC ZINC000793603850 1078221961 /nfs/dbraw/zinc/22/19/61/1078221961.db2.gz LXSBWLMHCQUGOR-OAHLLOKOSA-N 1 1 413.946 2.998 20 0 HFADMO O=C(C[N@H+]1CCCN(Cc2cnn(Cc3ccccc3)c2Cl)CC1)N1CCCC1 ZINC000793572630 1078225365 /nfs/dbraw/zinc/22/53/65/1078225365.db2.gz PARNHVVKKMUDSM-UHFFFAOYSA-N 1 1 415.969 2.715 20 0 HFADMO O=C(C[N@@H+]1CCCN(Cc2cnn(Cc3ccccc3)c2Cl)CC1)N1CCCC1 ZINC000793572630 1078225368 /nfs/dbraw/zinc/22/53/68/1078225368.db2.gz PARNHVVKKMUDSM-UHFFFAOYSA-N 1 1 415.969 2.715 20 0 HFADMO COC(=O)c1ccc(Cl)c(CN2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000793606137 1078223221 /nfs/dbraw/zinc/22/32/21/1078223221.db2.gz YVBHVIUFFJTWJL-MRXNPFEDSA-N 1 1 411.930 2.767 20 0 HFADMO COC(=O)c1ccc(Cl)c(CN2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000793606137 1078223224 /nfs/dbraw/zinc/22/32/24/1078223224.db2.gz YVBHVIUFFJTWJL-MRXNPFEDSA-N 1 1 411.930 2.767 20 0 HFADMO C[C@@H](O)c1ccc(CNC(=O)C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000793644682 1078239997 /nfs/dbraw/zinc/23/99/97/1078239997.db2.gz OPJPTBBJXOWSNI-LJQANCHMSA-N 1 1 423.557 2.727 20 0 HFADMO C[C@@H](COc1ccccc1)NC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000793714579 1078262726 /nfs/dbraw/zinc/26/27/26/1078262726.db2.gz PRPKCAUTHJUTQX-YADARESESA-N 1 1 409.530 2.599 20 0 HFADMO CCN1C(=O)CN(CN2CC[N@@H+](CCCc3ccccc3)C[C@@H]2CC(C)C)C1=O ZINC000793726715 1078268092 /nfs/dbraw/zinc/26/80/92/1078268092.db2.gz YJWKIUHOULKREO-NRFANRHFSA-N 1 1 400.567 2.893 20 0 HFADMO CCC[C@@H]1CN(C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC[N@H+]1CCOC ZINC000793754252 1078277883 /nfs/dbraw/zinc/27/78/83/1078277883.db2.gz SMWWZWRAQUMGGT-GBESFXJTSA-N 1 1 411.587 2.981 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793692778 1078270067 /nfs/dbraw/zinc/27/00/67/1078270067.db2.gz DTKSTBUAOKSVMI-SVFBPWRDSA-N 1 1 409.530 2.597 20 0 HFADMO CC[N@H+]1C[C@H](C)N(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)C[C@@H]1C ZINC000793754923 1078278758 /nfs/dbraw/zinc/27/87/58/1078278758.db2.gz JAMKSICUBPVOKE-XAMWDVODSA-N 1 1 410.518 2.519 20 0 HFADMO COCC1(C(=O)N2CCC3(CCC[N@H+]3C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793761361 1078280294 /nfs/dbraw/zinc/28/02/94/1078280294.db2.gz HHUKRIJOHZDPMD-UHFFFAOYSA-N 1 1 409.571 2.737 20 0 HFADMO C[N@H+]1CC[C@@]2(CCN(CN3C(=O)C(=O)c4c3ccc(Br)c4Cl)C2)C1 ZINC000793763163 1078281442 /nfs/dbraw/zinc/28/14/42/1078281442.db2.gz DAKJGVKHQFJCLS-QGZVFWFLSA-N 1 1 412.715 2.617 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCc2c(C(=O)N3CCCC3)nn(C)c2C1 ZINC001170436872 1078287395 /nfs/dbraw/zinc/28/73/95/1078287395.db2.gz KZZVUAVDEFNROD-QGZVFWFLSA-N 1 1 410.518 2.764 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCc2c(C(=O)N3CCCC3)nn(C)c2C1 ZINC001170436872 1078287397 /nfs/dbraw/zinc/28/73/97/1078287397.db2.gz KZZVUAVDEFNROD-QGZVFWFLSA-N 1 1 410.518 2.764 20 0 HFADMO CC(C)[NH+]1CCN(C2CCN(C(=O)[C@@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)CC1 ZINC000793741671 1078287408 /nfs/dbraw/zinc/28/74/08/1078287408.db2.gz FLFFMTDSIBEXIP-IBGZPJMESA-N 1 1 422.614 2.649 20 0 HFADMO C[NH+]1CCN([C@@H](CNC(=O)C(=O)NCC2CCCCCCC2)c2cccs2)CC1 ZINC000793749915 1078290562 /nfs/dbraw/zinc/29/05/62/1078290562.db2.gz NMJMHMRJENPNEU-IBGZPJMESA-N 1 1 420.623 2.630 20 0 HFADMO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC000793780592 1078292128 /nfs/dbraw/zinc/29/21/28/1078292128.db2.gz BZOGXTXTUBJPNV-GOSISDBHSA-N 1 1 411.502 2.652 20 0 HFADMO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793798893 1078301812 /nfs/dbraw/zinc/30/18/12/1078301812.db2.gz MKTIZAIUCGUWFJ-NLFFAJNJSA-N 1 1 423.557 2.907 20 0 HFADMO CC[C@H](CSc1ccccc1)NC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000793808071 1078306278 /nfs/dbraw/zinc/30/62/78/1078306278.db2.gz CTANGTGNBIEMRO-GOSISDBHSA-N 1 1 423.542 2.879 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000793804810 1078304662 /nfs/dbraw/zinc/30/46/62/1078304662.db2.gz FLOXLRJFNCSYKG-FXAWDEMLSA-N 1 1 417.513 2.905 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(Cc1ccccc1F)C(C)C ZINC000793804836 1078304701 /nfs/dbraw/zinc/30/47/01/1078304701.db2.gz ZWOCFTLTXUHZAY-UHFFFAOYSA-N 1 1 409.465 2.768 20 0 HFADMO COc1ccc([C@H](C)CCNC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2C)cc1 ZINC000793809431 1078306491 /nfs/dbraw/zinc/30/64/91/1078306491.db2.gz IMYDFVJWMUFHOL-MRXNPFEDSA-N 1 1 421.501 2.511 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000793806910 1078305829 /nfs/dbraw/zinc/30/58/29/1078305829.db2.gz NNFVHWCVBGJNCF-GOSISDBHSA-N 1 1 407.474 2.929 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000793777703 1078309354 /nfs/dbraw/zinc/30/93/54/1078309354.db2.gz FOWTWZVIRWLSDI-FQEVSTJZSA-N 1 1 409.530 2.613 20 0 HFADMO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)no1 ZINC000793839420 1078311254 /nfs/dbraw/zinc/31/12/54/1078311254.db2.gz DQCWMKOMRBFXIC-FPOVZHCZSA-N 1 1 410.518 2.675 20 0 HFADMO Cc1cc([C@H]2CCCN2C(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)no1 ZINC000793839422 1078311334 /nfs/dbraw/zinc/31/13/34/1078311334.db2.gz DQCWMKOMRBFXIC-TZIWHRDSSA-N 1 1 410.518 2.675 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC(c2ccsc2)CC1 ZINC000793809614 1078314080 /nfs/dbraw/zinc/31/40/80/1078314080.db2.gz ZPPAUXPCVTXBHJ-UHFFFAOYSA-N 1 1 409.515 2.660 20 0 HFADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NOCc2ccc(C(F)(F)F)cc2)CC1=O ZINC000747149007 1078318382 /nfs/dbraw/zinc/31/83/82/1078318382.db2.gz FBVMRUFDRLMZBZ-NVXWUHKLSA-N 1 1 413.440 2.586 20 0 HFADMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000793878818 1078322164 /nfs/dbraw/zinc/32/21/64/1078322164.db2.gz QFIQHPSYZJNBKJ-OAQYLSRUSA-N 1 1 414.594 2.670 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@H](C)C1 ZINC000793872291 1078329696 /nfs/dbraw/zinc/32/96/96/1078329696.db2.gz KIBNFIYQXVOEAM-WSTZPKSXSA-N 1 1 419.566 2.946 20 0 HFADMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000793873782 1078330820 /nfs/dbraw/zinc/33/08/20/1078330820.db2.gz FSBAFUDIIHHXAJ-UHFFFAOYSA-N 1 1 414.594 2.622 20 0 HFADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000793901917 1078333254 /nfs/dbraw/zinc/33/32/54/1078333254.db2.gz OXTUSEIYXXBCRA-RTBURBONSA-N 1 1 414.594 2.695 20 0 HFADMO CCC(CC)(CNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)SC ZINC000793903369 1078333443 /nfs/dbraw/zinc/33/34/43/1078333443.db2.gz HHYXYBWLWCAEHZ-UHFFFAOYSA-N 1 1 406.527 2.974 20 0 HFADMO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000793932436 1078341683 /nfs/dbraw/zinc/34/16/83/1078341683.db2.gz UANZSGKKTGMLAK-OIBXWCBGSA-N 1 1 423.557 2.829 20 0 HFADMO CC1(C)CCC[N@@H+](CCNC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000793973837 1078350399 /nfs/dbraw/zinc/35/03/99/1078350399.db2.gz XQGZLXHXWBEBTE-PMACEKPBSA-N 1 1 424.545 2.817 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001170441683 1078356371 /nfs/dbraw/zinc/35/63/71/1078356371.db2.gz JKLCSFNCHBDDJB-JMUQELJHSA-N 1 1 400.519 2.744 20 0 HFADMO CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000794146923 1078378082 /nfs/dbraw/zinc/37/80/82/1078378082.db2.gz KHFPBVFEQYVERK-UYAOXDASSA-N 1 1 415.534 2.892 20 0 HFADMO O=C(c1cnn(-c2cc[nH+]cc2)c1C(F)F)N(CCO)Cc1cccnc1Cl ZINC000794324836 1078413860 /nfs/dbraw/zinc/41/38/60/1078413860.db2.gz WNXVRLJLESQSLH-UHFFFAOYSA-N 1 1 407.808 2.888 20 0 HFADMO 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/nfs/dbraw/zinc/58/50/10/1078585010.db2.gz HJGGGHINRGTVHP-GOSISDBHSA-N 1 1 406.486 2.705 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000804777369 1078602360 /nfs/dbraw/zinc/60/23/60/1078602360.db2.gz ZUHWRYSMHKKSFZ-BAOGPQIGSA-N 1 1 406.490 2.922 20 0 HFADMO C[N@@H+](CCC(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1)C1CCCCC1 ZINC000804761221 1078611445 /nfs/dbraw/zinc/61/14/45/1078611445.db2.gz YYAVNLJRVFFCLP-FQEVSTJZSA-N 1 1 422.614 2.795 20 0 HFADMO COC[C@@]1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC000804786092 1078641817 /nfs/dbraw/zinc/64/18/17/1078641817.db2.gz BESMHTGAMKJJQD-AVRDEDQJSA-N 1 1 409.571 2.926 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cccn(C(C)(C)C)c1=O ZINC001129971169 1078664490 /nfs/dbraw/zinc/66/44/90/1078664490.db2.gz WVCZNZIWEPYPEJ-TZIWHRDSSA-N 1 1 411.546 2.870 20 0 HFADMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CCNS(=O)(=O)/C=C/c1ccccc1 ZINC000747216354 1078665715 /nfs/dbraw/zinc/66/57/15/1078665715.db2.gz CIHIVDNPZCNLAG-FOWTUZBSSA-N 1 1 424.526 2.777 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000804828266 1078668267 /nfs/dbraw/zinc/66/82/67/1078668267.db2.gz LWDDVNBXKHXTAT-QFIPXVFZSA-N 1 1 422.573 2.882 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000804828179 1078668293 /nfs/dbraw/zinc/66/82/93/1078668293.db2.gz KKDVVDWSXUCYGP-RUZDIDTESA-N 1 1 422.573 2.787 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000804833026 1078674282 /nfs/dbraw/zinc/67/42/82/1078674282.db2.gz CPNYQLYGWQHHQS-NRFANRHFSA-N 1 1 422.573 2.739 20 0 HFADMO CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(c3cc[nH+]c(N4CCCCC4)n3)C2)CC1 ZINC000804835461 1078677072 /nfs/dbraw/zinc/67/70/72/1078677072.db2.gz VSWUVYCJAJDQBS-GOSISDBHSA-N 1 1 416.570 2.598 20 0 HFADMO CC[C@@H](CNC(=O)NCC1CCN(C(=O)OC)CC1)[N@H+]1CCc2ccccc2C1 ZINC000804908228 1078730875 /nfs/dbraw/zinc/73/08/75/1078730875.db2.gz JUBJRKJMHIWFBF-FQEVSTJZSA-N 1 1 402.539 2.601 20 0 HFADMO 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O=C(NC[C@@H](OCC1CC1)c1ccc(Cl)cc1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000805075256 1078907255 /nfs/dbraw/zinc/90/72/55/1078907255.db2.gz VNCJEXQFSHMMLS-XUVXKRRUSA-N 1 1 407.942 2.970 20 0 HFADMO CCOC1CC2(C1)CCN(C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC000805180374 1078965297 /nfs/dbraw/zinc/96/52/97/1078965297.db2.gz IKSWYHRZKMFIOD-UHFFFAOYSA-N 1 1 424.586 2.530 20 0 HFADMO CN(CCc1ccccc1F)C(=O)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000805196050 1078969926 /nfs/dbraw/zinc/96/99/26/1078969926.db2.gz KQLCCPAWTRVANU-XMMPIXPASA-N 1 1 411.521 2.998 20 0 HFADMO C[C@@](O)(CCNC(=O)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000805198911 1078971788 /nfs/dbraw/zinc/97/17/88/1078971788.db2.gz VHWMULYDJLLNGH-JWQCQUIFSA-N 1 1 423.557 2.571 20 0 HFADMO CC[N@@H+](Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)cc1)C(C)C ZINC001130119043 1078988524 /nfs/dbraw/zinc/98/85/24/1078988524.db2.gz KIEDFGMDEGYDNH-NRFANRHFSA-N 1 1 403.567 2.920 20 0 HFADMO 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CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)C1 ZINC000805636087 1079189661 /nfs/dbraw/zinc/18/96/61/1079189661.db2.gz KNXMKYJTOAQBAP-QYZOEREBSA-N 1 1 419.566 2.711 20 0 HFADMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCc2nc3ccccc3n2CC)C1 ZINC000805636380 1079189121 /nfs/dbraw/zinc/18/91/21/1079189121.db2.gz OQLRJYGUYSRGEG-KRWDZBQOSA-N 1 1 413.566 2.689 20 0 HFADMO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000805774557 1079246594 /nfs/dbraw/zinc/24/65/94/1079246594.db2.gz NFUGGYHZXNKBMI-HNNXBMFYSA-N 1 1 424.929 2.758 20 0 HFADMO Cn1cc(N2CCC[C@@H]([N@@H+]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2=O)cn1 ZINC000805794120 1079259088 /nfs/dbraw/zinc/25/90/88/1079259088.db2.gz QPYHOQHUTTXAOO-GCJKJVERSA-N 1 1 417.554 2.639 20 0 HFADMO Cn1cc(N2CCC[C@@H]([N@H+]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2=O)cn1 ZINC000805794120 1079259092 /nfs/dbraw/zinc/25/90/92/1079259092.db2.gz QPYHOQHUTTXAOO-GCJKJVERSA-N 1 1 417.554 2.639 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCc1nnnn1-c1ccccc1)C2 ZINC000805793878 1079259672 /nfs/dbraw/zinc/25/96/72/1079259672.db2.gz OHEKOYGOHWUKPP-QFIPXVFZSA-N 1 1 412.538 2.928 20 0 HFADMO Cc1cc(=O)n2nc(C[N@H+]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)sc2n1 ZINC000805793843 1079259726 /nfs/dbraw/zinc/25/97/26/1079259726.db2.gz KRTLGPOUDUHCSD-HXUWFJFHSA-N 1 1 419.551 2.682 20 0 HFADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(F)c(C(=O)OC)c2)C1 ZINC000747268101 1079261196 /nfs/dbraw/zinc/26/11/96/1079261196.db2.gz UANHVYBZVBWAFW-CQSZACIVSA-N 1 1 400.516 2.791 20 0 HFADMO CSc1nc(C)c(CCC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(=O)[nH]1 ZINC001130393498 1079273779 /nfs/dbraw/zinc/27/37/79/1079273779.db2.gz PPKDTYSGPCAIJC-NRFANRHFSA-N 1 1 400.548 2.926 20 0 HFADMO C[C@]1(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001130393710 1079273924 /nfs/dbraw/zinc/27/39/24/1079273924.db2.gz VHBBPWSXZKUMMS-QHCPKHFHSA-N 1 1 406.461 2.766 20 0 HFADMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC001130368840 1079266365 /nfs/dbraw/zinc/26/63/65/1079266365.db2.gz BJFUWNQLUJMYOF-KURKYZTESA-N 1 1 407.580 2.804 20 0 HFADMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3[C@H](C)C[N@@H+](C)[C@@H](C)[C@H]3C)CC2)cc1C ZINC001130369979 1079268635 /nfs/dbraw/zinc/26/86/35/1079268635.db2.gz LOMRWUQUIMROML-CEXWTWQISA-N 1 1 421.607 2.644 20 0 HFADMO CCN1C[C@H](C[N@H+]2CC[C@@H](Cc3cccc(I)c3)C2)OC1=O ZINC001170490739 1079317863 /nfs/dbraw/zinc/31/78/63/1079317863.db2.gz ODVSBBAECZVYOU-HOCLYGCPSA-N 1 1 414.287 2.996 20 0 HFADMO CC[N@@H+](Cc1ccc(C(=O)OCC2(CS(C)(=O)=O)CCOCC2)cc1)C(C)C ZINC000805902924 1079327917 /nfs/dbraw/zinc/32/79/17/1079327917.db2.gz XYJICHLMOSPVRL-UHFFFAOYSA-N 1 1 411.564 2.915 20 0 HFADMO C[C@H]1C[NH+](Cc2ccc(C(=O)OCCCc3nc4ncccn4n3)cc2)C[C@H](C)O1 ZINC000805897328 1079325607 /nfs/dbraw/zinc/32/56/07/1079325607.db2.gz PSTZLPWYJMZLJT-IRXDYDNUSA-N 1 1 409.490 2.523 20 0 HFADMO COCC[N@@H+]1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2Br)C(C)(C)C1 ZINC001130417397 1079336043 /nfs/dbraw/zinc/33/60/43/1079336043.db2.gz NQTJXKWOLMWKOJ-ZDUSSCGKSA-N 1 1 417.319 2.925 20 0 HFADMO COCC[N@H+]1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2Br)C(C)(C)C1 ZINC001130417397 1079336051 /nfs/dbraw/zinc/33/60/51/1079336051.db2.gz NQTJXKWOLMWKOJ-ZDUSSCGKSA-N 1 1 417.319 2.925 20 0 HFADMO COCC[N@@H+]1CCN(C(=O)c2ccc3cncc(Br)c3n2)C(C)(C)C1 ZINC001130421035 1079340771 /nfs/dbraw/zinc/34/07/71/1079340771.db2.gz KQCBKKKDRYCASX-UHFFFAOYSA-N 1 1 407.312 2.575 20 0 HFADMO COCC[N@H+]1CCN(C(=O)c2ccc3cncc(Br)c3n2)C(C)(C)C1 ZINC001130421035 1079340775 /nfs/dbraw/zinc/34/07/75/1079340775.db2.gz KQCBKKKDRYCASX-UHFFFAOYSA-N 1 1 407.312 2.575 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1F ZINC000747276198 1079340813 /nfs/dbraw/zinc/34/08/13/1079340813.db2.gz DPEUOIPURUOBRW-MRXNPFEDSA-N 1 1 420.506 2.897 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1F ZINC000747276198 1079340816 /nfs/dbraw/zinc/34/08/16/1079340816.db2.gz DPEUOIPURUOBRW-MRXNPFEDSA-N 1 1 420.506 2.897 20 0 HFADMO COC(=O)[C@@]1(NC(=O)COCc2ccc(C)cc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001130444509 1079345217 /nfs/dbraw/zinc/34/52/17/1079345217.db2.gz DNWJGKSYHLSLBB-XMMPIXPASA-N 1 1 410.514 2.836 20 0 HFADMO C[C@H](OCC(=O)OC[C@@H]1C[N@@H+](Cc2ccccc2)CC(C)(C)O1)c1nccn1C ZINC000805923758 1079353544 /nfs/dbraw/zinc/35/35/44/1079353544.db2.gz PRFNAIFXYHMPGS-HKUYNNGSSA-N 1 1 401.507 2.721 20 0 HFADMO Cn1nccc1[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C(=O)OC(C)(C)C ZINC001130493417 1079403360 /nfs/dbraw/zinc/40/33/60/1079403360.db2.gz XLWWLVHOMIGZKZ-IAGOWNOFSA-N 1 1 406.914 2.875 20 0 HFADMO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000806041270 1079411181 /nfs/dbraw/zinc/41/11/81/1079411181.db2.gz GEGLVROXSXMNFE-OIISXLGYSA-N 1 1 423.989 2.763 20 0 HFADMO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1C ZINC001130517931 1079448296 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/nfs/dbraw/zinc/80/51/29/1076805129.db2.gz UKUHXUIFBXKFML-PMPSAXMXSA-N 1 1 405.543 2.689 20 0 HFADMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC[N@H+]1C ZINC000787388320 1076805135 /nfs/dbraw/zinc/80/51/35/1076805135.db2.gz UKUHXUIFBXKFML-PMPSAXMXSA-N 1 1 405.543 2.689 20 0 HFADMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787435125 1076822505 /nfs/dbraw/zinc/82/25/05/1076822505.db2.gz YUYSOBYIDSFDLD-IAGOWNOFSA-N 1 1 419.570 2.842 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)cn1 ZINC000787489707 1076823690 /nfs/dbraw/zinc/82/36/90/1076823690.db2.gz MNXMYRKKYVLRCX-YJBOKZPZSA-N 1 1 407.474 2.785 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@H]2c2ccc(F)cc2)cn1 ZINC000787477574 1076837993 /nfs/dbraw/zinc/83/79/93/1076837993.db2.gz KYNRJRVUOZOYKS-IBGZPJMESA-N 1 1 407.449 2.695 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2c2cccc(C)c2)cn1 ZINC000787480595 1076839213 /nfs/dbraw/zinc/83/92/13/1076839213.db2.gz DJZIBVKMEQOYLR-HXUWFJFHSA-N 1 1 403.486 2.864 20 0 HFADMO CC(C)[C@@H](CNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)[NH+]1CCC(C)CC1 ZINC000746687239 1076840387 /nfs/dbraw/zinc/84/03/87/1076840387.db2.gz OESDPHUCADTVNU-GOSISDBHSA-N 1 1 402.564 2.558 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCc2cccc(OCC(C)C)c2)cn1 ZINC000787483143 1076840595 /nfs/dbraw/zinc/84/05/95/1076840595.db2.gz XMSJZDAVHDJWKU-UHFFFAOYSA-N 1 1 421.501 2.543 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)cn1 ZINC000787483439 1076842175 /nfs/dbraw/zinc/84/21/75/1076842175.db2.gz DNESHOMTDUFJKH-XLIONFOSSA-N 1 1 417.513 2.905 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H]2c3ccccc3CC[C@@H]2C)cn1 ZINC000787484710 1076842880 /nfs/dbraw/zinc/84/28/80/1076842880.db2.gz FTIRZUKRVBOAKS-YCRPNKLZSA-N 1 1 403.486 2.632 20 0 HFADMO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000746689522 1076856742 /nfs/dbraw/zinc/85/67/42/1076856742.db2.gz YLQFJLHOSUKCBW-UHFFFAOYSA-N 1 1 410.543 2.796 20 0 HFADMO CN(C(=O)Cn1c(=O)c2ccccc2[nH]c1=S)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000746693682 1076860719 /nfs/dbraw/zinc/86/07/19/1076860719.db2.gz HXLPHUNBOADEQY-SFHVURJKSA-N 1 1 422.554 2.808 20 0 HFADMO CN(C(=O)Cn1c(=O)c2ccccc2[nH]c1=S)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000746693682 1076860724 /nfs/dbraw/zinc/86/07/24/1076860724.db2.gz HXLPHUNBOADEQY-SFHVURJKSA-N 1 1 422.554 2.808 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)NCC[N@H+]3CCCC(C)(C)C3)[nH]n2)C1 ZINC000787585326 1076873551 /nfs/dbraw/zinc/87/35/51/1076873551.db2.gz FIZLTWFHSJIQKG-INIZCTEOSA-N 1 1 419.570 2.986 20 0 HFADMO C[C@H](Cc1ccco1)NC(=O)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000787607198 1076875745 /nfs/dbraw/zinc/87/57/45/1076875745.db2.gz ALJVDJGQTPXMTI-DNVCBOLYSA-N 1 1 403.910 2.934 20 0 HFADMO CCCCN(C)c1ccc(NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)cc1 ZINC000787608771 1076876993 /nfs/dbraw/zinc/87/69/93/1076876993.db2.gz UWNQFDLORNJJQB-GOSISDBHSA-N 1 1 416.566 2.573 20 0 HFADMO CC[C@@H](CNC(=O)C(=O)N[C@H](C)COc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000787631193 1076883887 /nfs/dbraw/zinc/88/38/87/1076883887.db2.gz ISHJHFDQRXPWDZ-NQIIRXRSSA-N 1 1 409.530 2.523 20 0 HFADMO C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(NS(=O)(=O)/C=C\c4ccccc4)cc3)C[C@H]2C1 ZINC000787636106 1076886284 /nfs/dbraw/zinc/88/62/84/1076886284.db2.gz OVTNOOBNMDWCBV-ZSLAFEKQSA-N 1 1 411.527 2.733 20 0 HFADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc(Br)ncc1Cl ZINC000787674099 1076889566 /nfs/dbraw/zinc/88/95/66/1076889566.db2.gz SJXJSXDPOSXPAT-NSHDSACASA-N 1 1 402.720 2.823 20 0 HFADMO C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1)c1ccsc1 ZINC000787636920 1076891209 /nfs/dbraw/zinc/89/12/09/1076891209.db2.gz JFPHGZBGPKJPFE-VQTJNVASSA-N 1 1 415.559 2.751 20 0 HFADMO C[C@@H](C(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)N1CC[NH+](C)CC1 ZINC000787664834 1076903880 /nfs/dbraw/zinc/90/38/80/1076903880.db2.gz HNDMTVZGWNOGRR-FQEVSTJZSA-N 1 1 407.558 2.800 20 0 HFADMO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1)CCC2 ZINC000787668470 1076904927 /nfs/dbraw/zinc/90/49/27/1076904927.db2.gz FEHZMGKTWACJLB-IBGZPJMESA-N 1 1 403.571 2.728 20 0 HFADMO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000787668848 1076905181 /nfs/dbraw/zinc/90/51/81/1076905181.db2.gz HPOAZHXSCLPLJI-NVXWUHKLSA-N 1 1 411.468 2.869 20 0 HFADMO C[N@@H+]1CCN(c2nc(-c3cccnc3)nc3c2CCC3)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000746703545 1076907227 /nfs/dbraw/zinc/90/72/27/1076907227.db2.gz KHPWDAWLQUJJOV-KRWDZBQOSA-N 1 1 424.549 2.672 20 0 HFADMO C[N@H+]1CCN(c2nc(-c3cccnc3)nc3c2CCC3)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000746703545 1076907228 /nfs/dbraw/zinc/90/72/28/1076907228.db2.gz KHPWDAWLQUJJOV-KRWDZBQOSA-N 1 1 424.549 2.672 20 0 HFADMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)C1 ZINC000787707472 1076919858 /nfs/dbraw/zinc/91/98/58/1076919858.db2.gz FVCBLDLSISYNSU-SUWCGCSTSA-N 1 1 411.587 2.764 20 0 HFADMO CC(C)COC(=O)N1CCC[N@H+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000787706670 1076920204 /nfs/dbraw/zinc/92/02/04/1076920204.db2.gz CATMPABONVDTQG-DYESRHJHSA-N 1 1 413.559 2.547 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([NH+]2CCN(CCc3ccccc3)CC2)C1 ZINC000787710119 1076921333 /nfs/dbraw/zinc/92/13/33/1076921333.db2.gz ZZSBBOCIUIKABM-REWPJTCUSA-N 1 1 403.567 2.607 20 0 HFADMO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O)CC2 ZINC000787710002 1076921359 /nfs/dbraw/zinc/92/13/59/1076921359.db2.gz ZJHYRRAXJZNQRU-UGKGYDQZSA-N 1 1 406.523 2.822 20 0 HFADMO COc1cc2c(cc1OC)C[N@H+]([C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O)CC2 ZINC000787710002 1076921360 /nfs/dbraw/zinc/92/13/60/1076921360.db2.gz ZJHYRRAXJZNQRU-UGKGYDQZSA-N 1 1 406.523 2.822 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H]([NH+]2CCN(CCc3ccccc3)CC2)C1 ZINC000787710118 1076921389 /nfs/dbraw/zinc/92/13/89/1076921389.db2.gz ZZSBBOCIUIKABM-OFNKIYASSA-N 1 1 403.567 2.607 20 0 HFADMO Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000787713526 1076923443 /nfs/dbraw/zinc/92/34/43/1076923443.db2.gz ZQOHDTWYCMJQIV-QGZVFWFLSA-N 1 1 400.523 2.877 20 0 HFADMO C[C@H](c1cccnc1)N1CC[NH+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1 ZINC000787715225 1076923747 /nfs/dbraw/zinc/92/37/47/1076923747.db2.gz BWYNVIOLDNYTGJ-JUXOCIIHSA-N 1 1 404.555 2.521 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H]([N@@H+]2CCO[C@]3(CCc4ccccc43)C2)C1 ZINC000787732130 1076934444 /nfs/dbraw/zinc/93/44/44/1076934444.db2.gz VAQSKGUIPGLIQG-WTIAFYNJSA-N 1 1 402.535 2.921 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H]([N@H+]2CCO[C@]3(CCc4ccccc43)C2)C1 ZINC000787732130 1076934449 /nfs/dbraw/zinc/93/44/49/1076934449.db2.gz VAQSKGUIPGLIQG-WTIAFYNJSA-N 1 1 402.535 2.921 20 0 HFADMO O=C(NCC1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1)OCc1ccccc1 ZINC000787779691 1076943926 /nfs/dbraw/zinc/94/39/26/1076943926.db2.gz JPUHAGBBNUXWQC-UHFFFAOYSA-N 1 1 410.518 2.927 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H](C)c1ccccc1OC(C)C ZINC000787878286 1076973221 /nfs/dbraw/zinc/97/32/21/1076973221.db2.gz LCJNIHQAROPFCS-INIZCTEOSA-N 1 1 421.501 2.857 20 0 HFADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC1CCC(O)(c2ccccc2)CC1 ZINC000787903153 1076987979 /nfs/dbraw/zinc/98/79/79/1076987979.db2.gz KEDCAGGLDDFFNI-JVIIGWRGSA-N 1 1 415.578 2.704 20 0 HFADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000787908076 1076990456 /nfs/dbraw/zinc/99/04/56/1076990456.db2.gz GWXVZNBERCJXJO-KNQAVFIVSA-N 1 1 415.578 2.899 20 0 HFADMO CC(C)CCC[C@H](C)[N@H+]1CCOC[C@]2(CC[C@@H](CNC(=O)c3cnccn3)O2)C1 ZINC001170079624 1076995321 /nfs/dbraw/zinc/99/53/21/1076995321.db2.gz FESAZUDYQHQNOP-IPJJNNNSSA-N 1 1 404.555 2.671 20 0 HFADMO C[C@@H](Cc1ccco1)NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000787962440 1077010413 /nfs/dbraw/zinc/01/04/13/1077010413.db2.gz PAVOOHREDLPLOU-CYFREDJKSA-N 1 1 409.530 2.842 20 0 HFADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2cccc(NC(=O)OCC(C)C)c2)CC1 ZINC000746719850 1077019119 /nfs/dbraw/zinc/01/91/19/1077019119.db2.gz ALZSJUKDZKIKFC-INIZCTEOSA-N 1 1 420.510 2.992 20 0 HFADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc(N3CCSCC3)c(C)c2)CC1 ZINC000746722588 1077023035 /nfs/dbraw/zinc/02/30/35/1077023035.db2.gz LZILSRNEPMDCOU-QGZVFWFLSA-N 1 1 420.579 2.649 20 0 HFADMO Cc1ccc(N2CCC[C@H]([NH+]3CCC(CO)(NC(=O)OC(C)(C)C)CC3)C2=O)cc1 ZINC000788003091 1077025710 /nfs/dbraw/zinc/02/57/10/1077025710.db2.gz JPFGSTJLKXDHHZ-IBGZPJMESA-N 1 1 417.550 2.842 20 0 HFADMO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1)c1ccc(F)cc1 ZINC000788004126 1077026135 /nfs/dbraw/zinc/02/61/35/1077026135.db2.gz UDRAXARJKUNMSA-CVEARBPZSA-N 1 1 423.529 2.743 20 0 HFADMO COC(=O)NCCc1ccc(S(=O)(=O)NCCC[N@@H+](C)C2CCCCC2)s1 ZINC000788023870 1077034130 /nfs/dbraw/zinc/03/41/30/1077034130.db2.gz IVQIHHISYXEDRV-UHFFFAOYSA-N 1 1 417.597 2.580 20 0 HFADMO C[C@H](c1ccccc1)[N@H+]1CC[C@](F)(COC(=O)COc2ccc(C(N)=O)cc2)C1 ZINC000788038387 1077036140 /nfs/dbraw/zinc/03/61/40/1077036140.db2.gz BAOPGWZAPLMMDH-OPAMFIHVSA-N 1 1 400.450 2.883 20 0 HFADMO O=C(NOC[C@@H]1CCOC1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000788125938 1077060624 /nfs/dbraw/zinc/06/06/24/1077060624.db2.gz PSVWRJAUTMNVQA-MRXNPFEDSA-N 1 1 401.429 2.891 20 0 HFADMO COc1cc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)cnc1Br ZINC000788171379 1077074345 /nfs/dbraw/zinc/07/43/45/1077074345.db2.gz FLZLWYNJHZWTEI-KCQAQPDRSA-N 1 1 412.328 2.567 20 0 HFADMO COCCOC(=O)Nc1cccc(NC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)c1 ZINC000788286026 1077097853 /nfs/dbraw/zinc/09/78/53/1077097853.db2.gz CAGGOCOLCJQFFL-UHFFFAOYSA-N 1 1 412.450 2.670 20 0 HFADMO CCC[C@H]1CN(Cn2nc(-c3cnn(C)c3)ccc2=O)CC[N@H+]1Cc1ccccc1 ZINC000788366233 1077128611 /nfs/dbraw/zinc/12/86/11/1077128611.db2.gz AMFCEVBCKMQIKR-NRFANRHFSA-N 1 1 406.534 2.588 20 0 HFADMO CC[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC(COc3ccc(Cl)nc3)CC2)C1=O ZINC000788367654 1077128819 /nfs/dbraw/zinc/12/88/19/1077128819.db2.gz UTYAAQLPZBDRIV-HXUWFJFHSA-N 1 1 406.914 2.894 20 0 HFADMO CC[N@@H+](CCC1CCN(Cn2nc(-c3cnn(C)c3)ccc2=O)CC1)CC(C)C ZINC000788371746 1077131149 /nfs/dbraw/zinc/13/11/49/1077131149.db2.gz TYQKFHLEBUDEOL-UHFFFAOYSA-N 1 1 400.571 2.681 20 0 HFADMO Cn1cc(-c2ccc(=O)n(CN3CC[C@@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)n2)cn1 ZINC000788372872 1077131738 /nfs/dbraw/zinc/13/17/38/1077131738.db2.gz GQMALJSXMUCTDF-NZQKXSOJSA-N 1 1 418.545 2.588 20 0 HFADMO CCn1c(COc2ccc(C)cc2)nn(CN(C)[C@@H](C)C[NH+]2CCOCC2)c1=S ZINC000788377676 1077133970 /nfs/dbraw/zinc/13/39/70/1077133970.db2.gz ODPCTAWUJDYNPM-SFHVURJKSA-N 1 1 419.595 2.931 20 0 HFADMO COc1ccc(-c2nn(CN(C)[C@@H](C)C[NH+]3CCOCC3)c(=O)c3ccccc32)cc1 ZINC000788377203 1077134393 /nfs/dbraw/zinc/13/43/93/1077134393.db2.gz JVTIZUABRMBQPN-SFHVURJKSA-N 1 1 422.529 2.682 20 0 HFADMO C[C@H](C[NH+]1CCOCC1)N(C)Cn1nc(-c2ccccc2)cc(C(F)(F)F)c1=O ZINC000788377274 1077134397 /nfs/dbraw/zinc/13/43/97/1077134397.db2.gz LJZFVDMJYLHWCD-OAHLLOKOSA-N 1 1 410.440 2.539 20 0 HFADMO CC(C)[C@H](C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1)N1CCN(C)CC1 ZINC000788518786 1077189431 /nfs/dbraw/zinc/18/94/31/1077189431.db2.gz LJWYHDKIWRTXFX-UNMCSNQZSA-N 1 1 402.583 2.902 20 0 HFADMO CCN(CCC[NH+]1CCCC1)C(=O)c1[nH]nc2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000788546924 1077196482 /nfs/dbraw/zinc/19/64/82/1077196482.db2.gz IICCHKNIEXMLGC-UHFFFAOYSA-N 1 1 405.543 2.651 20 0 HFADMO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCSC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000788550379 1077197843 /nfs/dbraw/zinc/19/78/43/1077197843.db2.gz YPLRSRJWHMTCKQ-HIFRSBDPSA-N 1 1 403.470 2.525 20 0 HFADMO O=C1CCc2cc(OC[C@@H](O)C[NH2+][C@H]3COCc4cccc(Cl)c43)ccc2N1 ZINC000788559976 1077201498 /nfs/dbraw/zinc/20/14/98/1077201498.db2.gz ABUJVNRETSHRBV-KXBFYZLASA-N 1 1 402.878 2.826 20 0 HFADMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)NCCSC(F)(F)F)CC1 ZINC000788529228 1077203221 /nfs/dbraw/zinc/20/32/21/1077203221.db2.gz VKQWTWVJURUWIK-AWEZNQCLSA-N 1 1 409.518 2.859 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)CC1 ZINC000788608043 1077222138 /nfs/dbraw/zinc/22/21/38/1077222138.db2.gz HFJOADJQZNFKEG-GOSISDBHSA-N 1 1 402.539 2.732 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)CC1 ZINC000788608043 1077222140 /nfs/dbraw/zinc/22/21/40/1077222140.db2.gz HFJOADJQZNFKEG-GOSISDBHSA-N 1 1 402.539 2.732 20 0 HFADMO C[NH+](C)[C@H](CNC(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1Cl ZINC000788619883 1077231137 /nfs/dbraw/zinc/23/11/37/1077231137.db2.gz WMAXTPNYNLOOOC-SUMWQHHRSA-N 1 1 424.929 2.729 20 0 HFADMO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC[N@H+]1C ZINC000788658292 1077255363 /nfs/dbraw/zinc/25/53/63/1077255363.db2.gz MLIQDFJWDJPRCP-HUYLIWGRSA-N 1 1 410.518 2.519 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000790969135 1077258621 /nfs/dbraw/zinc/25/86/21/1077258621.db2.gz VQOILKVCJVEQOO-OAHLLOKOSA-N 1 1 419.526 2.604 20 0 HFADMO CCOC(=O)[C@@H]1[C@@H](NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000788672879 1077262806 /nfs/dbraw/zinc/26/28/06/1077262806.db2.gz SSKVQOQUFGPOGC-FHWLQOOXSA-N 1 1 411.587 2.885 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000790975850 1077268447 /nfs/dbraw/zinc/26/84/47/1077268447.db2.gz VCSADMWXKBJYRX-KRWDZBQOSA-N 1 1 420.941 2.642 20 0 HFADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000788716346 1077269319 /nfs/dbraw/zinc/26/93/19/1077269319.db2.gz VUUYDIKBUVHAGH-CTNGQTDRSA-N 1 1 400.567 2.941 20 0 HFADMO CO[C@@H]1CCOc2c(NC(=O)C(=O)Nc3ccc(-n4cc[nH+]c4C)nc3)cccc21 ZINC000791010858 1077269990 /nfs/dbraw/zinc/26/99/90/1077269990.db2.gz JQKCSBXYKOAAFK-QGZVFWFLSA-N 1 1 407.430 2.623 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](C[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)C1 ZINC001170147620 1077276356 /nfs/dbraw/zinc/27/63/56/1077276356.db2.gz ADGKQLZZUHWRIC-UGSOOPFHSA-N 1 1 422.444 2.582 20 0 HFADMO 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HFADMO COc1ccc(CN(C)C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1F ZINC000792029083 1077657920 /nfs/dbraw/zinc/65/79/20/1077657920.db2.gz IITMEHYCGWMERG-UHFFFAOYSA-N 1 1 409.502 2.736 20 0 HFADMO CN(CCCNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000792029010 1077657958 /nfs/dbraw/zinc/65/79/58/1077657958.db2.gz UQZPEJCPGUHDIE-UHFFFAOYSA-N 1 1 404.555 2.572 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCCCC[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000792057238 1077663537 /nfs/dbraw/zinc/66/35/37/1077663537.db2.gz NWBPGYMDFAVQER-IERDGZPVSA-N 1 1 403.523 2.968 20 0 HFADMO Cc1nc2cc(C(=O)NCCC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)ccc2o1 ZINC000792061366 1077668338 /nfs/dbraw/zinc/66/83/38/1077668338.db2.gz MYFBHPKKIPTJPH-UHFFFAOYSA-N 1 1 402.495 2.809 20 0 HFADMO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000746830078 1077674460 /nfs/dbraw/zinc/67/44/60/1077674460.db2.gz YHIDJYJGLPOMLM-KRWDZBQOSA-N 1 1 422.545 2.567 20 0 HFADMO C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)NC(=O)OC(C)(C)C 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/nfs/dbraw/zinc/70/74/12/1077707412.db2.gz OUAOBAQUIVVXTA-UHFFFAOYSA-N 1 1 420.510 2.535 20 0 HFADMO CC(C)OC(=O)N1CCC(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000792085415 1077708952 /nfs/dbraw/zinc/70/89/52/1077708952.db2.gz VUPWLNTWTCIMTB-LJQANCHMSA-N 1 1 402.539 2.817 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CCC(C[N@@H+](C)C(C)C)CC3)C2)c1 ZINC000792086044 1077709832 /nfs/dbraw/zinc/70/98/32/1077709832.db2.gz XONFQUNKWKTAAE-OAQYLSRUSA-N 1 1 403.523 2.776 20 0 HFADMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2nc(Br)ccc2F)C[C@H](C)O1 ZINC000792087099 1077710649 /nfs/dbraw/zinc/71/06/49/1077710649.db2.gz YHWMHTPAVIMRKV-FRRDWIJNSA-N 1 1 400.292 2.697 20 0 HFADMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2nc(Br)ccc2F)C[C@H](C)O1 ZINC000792087099 1077710653 /nfs/dbraw/zinc/71/06/53/1077710653.db2.gz YHWMHTPAVIMRKV-FRRDWIJNSA-N 1 1 400.292 2.697 20 0 HFADMO COCC[N@H+]1CCC[C@H](NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)C1 ZINC000792145478 1077721993 /nfs/dbraw/zinc/72/19/93/1077721993.db2.gz OCCNNBDQWUBCMF-RBUKOAKNSA-N 1 1 423.529 2.661 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N[C@@H]2CCOc3ccc(F)cc32)CC1 ZINC000792160239 1077726871 /nfs/dbraw/zinc/72/68/71/1077726871.db2.gz WSLHAKWGUOGKGN-QGZVFWFLSA-N 1 1 407.486 2.708 20 0 HFADMO CCC[C@H](NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@H](O)c1ccccc1 ZINC000792165822 1077732299 /nfs/dbraw/zinc/73/22/99/1077732299.db2.gz UMAUXGUNFNDRBI-XPWALMASSA-N 1 1 411.546 2.955 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@@H](O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000792172422 1077733896 /nfs/dbraw/zinc/73/38/96/1077733896.db2.gz WBXRMJPVWRYHIA-SFHVURJKSA-N 1 1 402.457 2.568 20 0 HFADMO O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000789669148 1077734593 /nfs/dbraw/zinc/73/45/93/1077734593.db2.gz STWJOBMZYQBRCK-LEWJYISDSA-N 1 1 411.933 2.704 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NC2(c3nccs3)CCCC2)CC1 ZINC000792176976 1077736038 /nfs/dbraw/zinc/73/60/38/1077736038.db2.gz CMWYJSXJONPYFM-UHFFFAOYSA-N 1 1 408.568 2.971 20 0 HFADMO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000746842737 1077738301 /nfs/dbraw/zinc/73/83/01/1077738301.db2.gz YYEAQUJXRABKIF-MAUKXSAKSA-N 1 1 418.538 2.578 20 0 HFADMO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000746842737 1077738304 /nfs/dbraw/zinc/73/83/04/1077738304.db2.gz YYEAQUJXRABKIF-MAUKXSAKSA-N 1 1 418.538 2.578 20 0 HFADMO CN1CCCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21 ZINC000792190340 1077739345 /nfs/dbraw/zinc/73/93/45/1077739345.db2.gz JJVJMLKMTXUFEY-UHFFFAOYSA-N 1 1 402.539 2.802 20 0 HFADMO COC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792205553 1077745201 /nfs/dbraw/zinc/74/52/01/1077745201.db2.gz RMRYFWKZKGUSCS-ROUUACIJSA-N 1 1 406.910 2.658 20 0 HFADMO CC(C)OCC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)CC1 ZINC000792208817 1077746550 /nfs/dbraw/zinc/74/65/50/1077746550.db2.gz MLUXUQVVEHZFDU-UHFFFAOYSA-N 1 1 406.527 2.540 20 0 HFADMO CC(C)(C)OC(=O)N1CCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000792225770 1077750474 /nfs/dbraw/zinc/75/04/74/1077750474.db2.gz NQFAMCKDZPUBQS-LJQANCHMSA-N 1 1 402.539 2.771 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCC[C@H]2c2ccc(O)cc2)CC1 ZINC000792225861 1077750487 /nfs/dbraw/zinc/75/04/87/1077750487.db2.gz LYZQUALYVBHAOP-IBGZPJMESA-N 1 1 403.523 2.999 20 0 HFADMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000792227118 1077752672 /nfs/dbraw/zinc/75/26/72/1077752672.db2.gz VKCJBDLQBOSNKI-UNMCSNQZSA-N 1 1 401.551 2.878 20 0 HFADMO CCOC(=O)N(C)C1CCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000792228121 1077753318 /nfs/dbraw/zinc/75/33/18/1077753318.db2.gz RVCHYYDPKFBHLU-IBGZPJMESA-N 1 1 402.539 2.771 20 0 HFADMO COc1ccc(OC)c([C@H](O)CNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000792233613 1077756482 /nfs/dbraw/zinc/75/64/82/1077756482.db2.gz PHXBLWTTXGKPOM-WIYYLYMNSA-N 1 1 413.518 2.559 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCc3c(F)ccc(F)c3C2)CC1 ZINC000792215205 1077769352 /nfs/dbraw/zinc/76/93/52/1077769352.db2.gz MNQPCGDHHPEEOU-UHFFFAOYSA-N 1 1 409.477 2.792 20 0 HFADMO Cc1[nH]c2ccnn2c(=O)c1CC(=O)OC[C@@]1(F)CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000789769000 1077770073 /nfs/dbraw/zinc/77/00/73/1077770073.db2.gz CVLIXEXAEAIDKC-OPAMFIHVSA-N 1 1 412.465 2.592 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000792293752 1077778616 /nfs/dbraw/zinc/77/86/16/1077778616.db2.gz KGNOWJWKWFDXIO-TZIWHRDSSA-N 1 1 417.550 2.823 20 0 HFADMO COc1cc(NC(=O)C[N@H+](C)CCC(=O)Nc2ccc(N(C)C)cc2)cc(OC)c1 ZINC000792256135 1077782546 /nfs/dbraw/zinc/78/25/46/1077782546.db2.gz USRQGROYXAYHQV-UHFFFAOYSA-N 1 1 414.506 2.669 20 0 HFADMO COc1cc(NC(=O)C[N@@H+](C)CCC(=O)Nc2ccc(N(C)C)cc2)cc(OC)c1 ZINC000792256135 1077782548 /nfs/dbraw/zinc/78/25/48/1077782548.db2.gz USRQGROYXAYHQV-UHFFFAOYSA-N 1 1 414.506 2.669 20 0 HFADMO C[N@@H+](C[C@@H]1CC2(CCC2)C(=O)O1)[C@@H]1CCCN(C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792260964 1077784032 /nfs/dbraw/zinc/78/40/32/1077784032.db2.gz RDRGMCXVRUCMDQ-CEXWTWQISA-N 1 1 404.551 2.744 20 0 HFADMO CN(C)[C@H]1CCOc2c(NC(=O)C(=O)N(C)Cc3ccc(C[NH+](C)C)cc3)cccc21 ZINC000789756217 1077787076 /nfs/dbraw/zinc/78/70/76/1077787076.db2.gz CMERWXAZYCCULL-NRFANRHFSA-N 1 1 424.545 2.731 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCC2([C@H](O)c3ccccc3)CC2)CC1 ZINC000792274417 1077789978 /nfs/dbraw/zinc/78/99/78/1077789978.db2.gz MENQVWMOVDBDNS-HXUWFJFHSA-N 1 1 417.550 2.559 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCC2([C@@H](O)c3ccccc3)CC2)CC1 ZINC000792274415 1077789998 /nfs/dbraw/zinc/78/99/98/1077789998.db2.gz MENQVWMOVDBDNS-FQEVSTJZSA-N 1 1 417.550 2.559 20 0 HFADMO CN(C)c1ccc(NC(=O)CC[N@@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000792294112 1077792904 /nfs/dbraw/zinc/79/29/04/1077792904.db2.gz FWDLTQLCAFUZFZ-XMMPIXPASA-N 1 1 410.562 2.650 20 0 HFADMO CN(C)c1ccc(NC(=O)CCN(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000792294112 1077792937 /nfs/dbraw/zinc/79/29/37/1077792937.db2.gz FWDLTQLCAFUZFZ-XMMPIXPASA-N 1 1 410.562 2.650 20 0 HFADMO CN(C)c1ccc(NC(=O)CCN(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000792294112 1077792944 /nfs/dbraw/zinc/79/29/44/1077792944.db2.gz FWDLTQLCAFUZFZ-XMMPIXPASA-N 1 1 410.562 2.650 20 0 HFADMO Cn1cc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccccc2)n1 ZINC000792300589 1077795962 /nfs/dbraw/zinc/79/59/62/1077795962.db2.gz RYRHRDWXDOSTSQ-UHFFFAOYSA-N 1 1 413.522 2.968 20 0 HFADMO COC(=O)c1cccc(C(=O)OCC[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000789792514 1077797949 /nfs/dbraw/zinc/79/79/49/1077797949.db2.gz SSYIGGDHQATQAU-UHFFFAOYSA-N 1 1 406.479 2.573 20 0 HFADMO COC(=O)c1cccc(C(=O)OCC[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000789792514 1077797957 /nfs/dbraw/zinc/79/79/57/1077797957.db2.gz SSYIGGDHQATQAU-UHFFFAOYSA-N 1 1 406.479 2.573 20 0 HFADMO COc1ccc(C(=O)OCC[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c(OC)c1 ZINC000789792550 1077798115 /nfs/dbraw/zinc/79/81/15/1077798115.db2.gz UOQCHLXXCUYYFL-UHFFFAOYSA-N 1 1 408.495 2.803 20 0 HFADMO 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1077825776 /nfs/dbraw/zinc/82/57/76/1077825776.db2.gz ABQATRJWFUXQRW-QZTJIDSGSA-N 1 1 413.905 2.925 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCN(C3CC3)c3ccccc32)CC1 ZINC000792338338 1077825819 /nfs/dbraw/zinc/82/58/19/1077825819.db2.gz IWYMBJLHMWKACB-UHFFFAOYSA-N 1 1 414.550 2.945 20 0 HFADMO O=C(Nc1ccnn1C1CCCCC1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792407409 1077840180 /nfs/dbraw/zinc/84/01/80/1077840180.db2.gz XRCQEDCOCLGZRX-BGYRXZFFSA-N 1 1 421.545 2.917 20 0 HFADMO Cc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)c3nc4cccnc4s3)CC2)cc1 ZINC000792382996 1077846560 /nfs/dbraw/zinc/84/65/60/1077846560.db2.gz BOMMBWMGTPGLBR-UHFFFAOYSA-N 1 1 424.526 2.891 20 0 HFADMO CN(CCCNC(=O)C[NH+]1CCC(Oc2ccc(F)nc2)CC1)c1ccccc1 ZINC000792383877 1077847475 /nfs/dbraw/zinc/84/74/75/1077847475.db2.gz BHICDKVMZFIKIK-UHFFFAOYSA-N 1 1 400.498 2.707 20 0 HFADMO O=C(C[NH+]1CCC(Oc2ccc(F)nc2)CC1)NCCc1cccc2cccnc21 ZINC000792385027 1077848066 /nfs/dbraw/zinc/84/80/66/1077848066.db2.gz 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CC(C)(C)C(=O)N1CCC[C@@H](C[N@@H+](CCC(N)=O)[C@@H]2CCOc3ccccc32)C1 ZINC001170290242 1077938782 /nfs/dbraw/zinc/93/87/82/1077938782.db2.gz IBGHQUBMNBGGIV-PKOBYXMFSA-N 1 1 401.551 2.972 20 0 HFADMO CN(C)c1ccc(NC(=O)CCN2CCN(CC[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000790129917 1077951387 /nfs/dbraw/zinc/95/13/87/1077951387.db2.gz OGOROIUHFNOHMO-UHFFFAOYSA-N 1 1 423.605 2.831 20 0 HFADMO CN(C)c1ccc(NC(=O)CCN2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000790129917 1077951389 /nfs/dbraw/zinc/95/13/89/1077951389.db2.gz OGOROIUHFNOHMO-UHFFFAOYSA-N 1 1 423.605 2.831 20 0 HFADMO CN1CC[NH+](Cc2cccc(-c3noc(-c4ccn(CC(F)(F)F)n4)n3)c2)CC1 ZINC001212850372 1077952587 /nfs/dbraw/zinc/95/25/87/1077952587.db2.gz NUQSPEQLNLQASJ-UHFFFAOYSA-N 1 1 406.412 2.910 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000790121654 1077957730 /nfs/dbraw/zinc/95/77/30/1077957730.db2.gz JWIGPTMYRIYIQA-NSHGMRRFSA-N 1 1 419.566 2.690 20 0 HFADMO 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411.587 2.935 20 0 HFADMO C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000747092947 1078027261 /nfs/dbraw/zinc/02/72/61/1078027261.db2.gz GTAABBDFQGUIRX-GUDVDZBRSA-N 1 1 411.587 2.935 20 0 HFADMO COc1ccc2c(c1)C(=O)N(CN1CC[NH+](CCOc3ccc(Cl)cc3)CC1)C2 ZINC000790440665 1078032189 /nfs/dbraw/zinc/03/21/89/1078032189.db2.gz ZTTSKIQMGTTZMJ-UHFFFAOYSA-N 1 1 415.921 2.959 20 0 HFADMO COC(=O)c1c2cnn(C[N@@H+](C)CCCn3ccnc3)c2ccc1Br ZINC000790443061 1078032906 /nfs/dbraw/zinc/03/29/06/1078032906.db2.gz TZJFWUNMVFWQIO-UHFFFAOYSA-N 1 1 406.284 2.762 20 0 HFADMO COC(=O)c1c2cnn(CN3CC[N@@H+](C)C[C@@H]3C(C)C)c2ccc1Br ZINC000790444962 1078033980 /nfs/dbraw/zinc/03/39/80/1078033980.db2.gz WZJMVIQQATVVGU-MRXNPFEDSA-N 1 1 409.328 2.815 20 0 HFADMO Cc1c(C[N@@H+](C)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cnn1C ZINC000790450297 1078035567 /nfs/dbraw/zinc/03/55/67/1078035567.db2.gz GEPAHJSRPKKRKR-PMACEKPBSA-N 1 1 402.539 2.657 20 0 HFADMO COC(=O)Nc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000747094672 1078035606 /nfs/dbraw/zinc/03/56/06/1078035606.db2.gz FCSBVPDTBVZQQO-FXAWDEMLSA-N 1 1 412.490 2.869 20 0 HFADMO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](CN1C(=O)N[C@](C)(C3CC3)C1=O)CC2 ZINC000790450725 1078035654 /nfs/dbraw/zinc/03/56/54/1078035654.db2.gz KFTJLHMKKHBVOB-OAQYLSRUSA-N 1 1 420.554 2.778 20 0 HFADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792981157 1078039835 /nfs/dbraw/zinc/03/98/35/1078039835.db2.gz QYUDMPFSLDXHGG-CYBMUJFWSA-N 1 1 411.344 2.799 20 0 HFADMO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@H+](CCOC)[C@@H]2CC[C@@H](C)C2)C1=O ZINC000790480830 1078040946 /nfs/dbraw/zinc/04/09/46/1078040946.db2.gz WAVWACPUMGNWLJ-RADWXHQJSA-N 1 1 403.523 2.947 20 0 HFADMO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@@H+](CCOC)[C@@H]2CC[C@@H](C)C2)C1=O ZINC000790480830 1078040952 /nfs/dbraw/zinc/04/09/52/1078040952.db2.gz WAVWACPUMGNWLJ-RADWXHQJSA-N 1 1 403.523 2.947 20 0 HFADMO C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1 ZINC000792986689 1078041164 /nfs/dbraw/zinc/04/11/64/1078041164.db2.gz BSDNIIQQOUCVJL-WOJBJXKFSA-N 1 1 402.539 2.676 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@H](O)C[N@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000792988080 1078041800 /nfs/dbraw/zinc/04/18/00/1078041800.db2.gz WPEOYJXNSSWJGH-HRAATJIYSA-N 1 1 413.559 2.738 20 0 HFADMO COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)c2ccc3c(c2)N(C)CCC3)cc1 ZINC000790484400 1078042169 /nfs/dbraw/zinc/04/21/69/1078042169.db2.gz STYAPUPYFPHADB-HXUWFJFHSA-N 1 1 403.548 2.659 20 0 HFADMO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(c3ccccc3)CC2)[C@H](C)C1 ZINC000806225169 1079507856 /nfs/dbraw/zinc/50/78/56/1079507856.db2.gz GMTGAUKSVXHLDP-KNQAVFIVSA-N 1 1 415.578 2.646 20 0 HFADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(c3ccccc3)CC2)[C@@H](C)C1 ZINC000806225170 1079507864 /nfs/dbraw/zinc/50/78/64/1079507864.db2.gz GMTGAUKSVXHLDP-SIKLNZKXSA-N 1 1 415.578 2.646 20 0 HFADMO CN(C(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000806228691 1079510277 /nfs/dbraw/zinc/51/02/77/1079510277.db2.gz GYCDMXIBOVYMOB-DFNIBXOVSA-N 1 1 422.595 2.993 20 0 HFADMO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C3CCC3)C1)CCC2 ZINC000806298761 1079549657 /nfs/dbraw/zinc/54/96/57/1079549657.db2.gz OIJGHWCGGDQQID-SQGPQFPESA-N 1 1 415.582 2.727 20 0 HFADMO CN(C[C@@H]1C[C@H](F)CN1C(=O)NC[C@H](c1ccco1)[NH+](C)C)C(=O)OC(C)(C)C ZINC000806294355 1079583245 /nfs/dbraw/zinc/58/32/45/1079583245.db2.gz DTKUZAQHYHGLEU-HRCADAONSA-N 1 1 412.506 2.871 20 0 HFADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 ZINC000806355258 1079588138 /nfs/dbraw/zinc/58/81/38/1079588138.db2.gz PYGZSDLHFKQJAR-CPUCHLNUSA-N 1 1 417.472 2.926 20 0 HFADMO O=C(NN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1cnn(CCF)c1 ZINC000806345289 1079616354 /nfs/dbraw/zinc/61/63/54/1079616354.db2.gz SPSAWCNSXPJBNZ-UHFFFAOYSA-N 1 1 407.493 2.905 20 0 HFADMO C[C@]1(NC(=O)CCOc2ccc(S(C)(=O)=O)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001130610042 1079629334 /nfs/dbraw/zinc/62/93/34/1079629334.db2.gz PKHWPGOHWQHXDD-QFIPXVFZSA-N 1 1 416.543 2.640 20 0 HFADMO CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000806359518 1079647745 /nfs/dbraw/zinc/64/77/45/1079647745.db2.gz BMQLSZHIMNPYDX-OTWHNJEPSA-N 1 1 412.575 2.576 20 0 HFADMO CCNC(=O)OC[C@H]1CCCCN1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000806434396 1079680098 /nfs/dbraw/zinc/68/00/98/1079680098.db2.gz KFNJTQCQADBNBU-VQTJNVASSA-N 1 1 402.539 2.961 20 0 HFADMO C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCc2ccon2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000806398910 1079686036 /nfs/dbraw/zinc/68/60/36/1079686036.db2.gz XWOATVOGELGTRT-PBHICJAKSA-N 1 1 424.423 2.509 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCCC[C@H]2COC(=O)NC(C)C)cn1 ZINC000806494068 1079744748 /nfs/dbraw/zinc/74/47/48/1079744748.db2.gz BKQYKKVQBLCMLI-SFHVURJKSA-N 1 1 414.510 2.774 20 0 HFADMO CC(C)[N@@H+]1CC[C@@H](NC(=O)N=c2ccnc3n(C)[nH]cc2-3)[C@@H]1c1ccc(F)c(F)c1 ZINC000806493623 1079745514 /nfs/dbraw/zinc/74/55/14/1079745514.db2.gz ZZGQIPJWPSKWOG-MOPGFXCFSA-N 1 1 414.460 2.966 20 0 HFADMO CC(C)[N@H+]1CC[C@@H](NC(=O)N=c2ccnc3n(C)[nH]cc2-3)[C@@H]1c1ccc(F)c(F)c1 ZINC000806493623 1079745525 /nfs/dbraw/zinc/74/55/25/1079745525.db2.gz ZZGQIPJWPSKWOG-MOPGFXCFSA-N 1 1 414.460 2.966 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N(CC(=O)N1CCCCCC1)C(C)C ZINC000806506361 1079755777 /nfs/dbraw/zinc/75/57/77/1079755777.db2.gz QRAXUQWPGBETKN-UHFFFAOYSA-N 1 1 412.538 2.898 20 0 HFADMO O=C([C@@H]1CCCN1C(=O)C(F)(F)F)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000806508492 1079757734 /nfs/dbraw/zinc/75/77/34/1079757734.db2.gz MNEHCLQUHRFKMQ-SFHVURJKSA-N 1 1 409.452 2.589 20 0 HFADMO CCCNC(=O)OC[C@H]1CCCCN1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000806509418 1079758900 /nfs/dbraw/zinc/75/89/00/1079758900.db2.gz PCYVNIHKCMSLRA-QGZVFWFLSA-N 1 1 408.568 2.807 20 0 HFADMO CCCNC(=O)OC[C@H]1CCCCN1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000806509418 1079758903 /nfs/dbraw/zinc/75/89/03/1079758903.db2.gz PCYVNIHKCMSLRA-QGZVFWFLSA-N 1 1 408.568 2.807 20 0 HFADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)C1 ZINC000806512959 1079788879 /nfs/dbraw/zinc/78/88/79/1079788879.db2.gz YKIMGFHTKQCDQN-QYZOEREBSA-N 1 1 424.586 2.576 20 0 HFADMO COC(=O)[C@]1(NC(=O)CCCn2nc(C)cc2C)CCC[N@@H+](Cc2ccccc2)C1 ZINC001130661510 1079808512 /nfs/dbraw/zinc/80/85/12/1079808512.db2.gz ZWQZPPUCNWOUBE-QHCPKHFHSA-N 1 1 412.534 2.604 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@](N)(c1cccc(F)c1)C(F)(F)F ZINC000806552040 1079816359 /nfs/dbraw/zinc/81/63/59/1079816359.db2.gz SAHBFVPSFJVZLI-SFHVURJKSA-N 1 1 407.371 2.748 20 0 HFADMO C[C@@H](C(=O)N1CC[NH+](CCc2cccs2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806566709 1079826361 /nfs/dbraw/zinc/82/63/61/1079826361.db2.gz OCVFPYAQNNPNRP-MRXNPFEDSA-N 1 1 407.580 2.938 20 0 HFADMO CC[C@@H]1CN(C(=O)C(=O)NCCc2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000806591879 1079834985 /nfs/dbraw/zinc/83/49/85/1079834985.db2.gz FEMKCLVSVHGOGJ-LJQANCHMSA-N 1 1 414.937 2.517 20 0 HFADMO CC[C@@H]1CN(C(=O)C(=O)NCCc2ccc(Cl)nc2)CC[N@H+]1Cc1ccccc1 ZINC000806591879 1079834993 /nfs/dbraw/zinc/83/49/93/1079834993.db2.gz FEMKCLVSVHGOGJ-LJQANCHMSA-N 1 1 414.937 2.517 20 0 HFADMO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000806639445 1079895964 /nfs/dbraw/zinc/89/59/64/1079895964.db2.gz OBHPLLAVLYTYES-IRXDYDNUSA-N 1 1 408.568 2.880 20 0 HFADMO C[C@H](NC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000806723606 1079946467 /nfs/dbraw/zinc/94/64/67/1079946467.db2.gz LRICDLYQTTXWSP-LAUBAEHRSA-N 1 1 406.530 2.835 20 0 HFADMO C[C@H](NC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000806723606 1079946470 /nfs/dbraw/zinc/94/64/70/1079946470.db2.gz LRICDLYQTTXWSP-LAUBAEHRSA-N 1 1 406.530 2.835 20 0 HFADMO CC(C)(O)c1ccc(CNC(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000806727139 1079950659 /nfs/dbraw/zinc/95/06/59/1079950659.db2.gz AZDXVZICBDPDGS-VWLOTQADSA-N 1 1 423.557 2.559 20 0 HFADMO COC(=O)c1cc(C(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)ccc1C ZINC001130733344 1079972111 /nfs/dbraw/zinc/97/21/11/1079972111.db2.gz OTVJRJZMOSQVPI-FCHUYYIVSA-N 1 1 408.498 2.897 20 0 HFADMO CN1CC[NH+](CCCOc2ccc(NC(=O)c3ccnc(OC(F)F)c3)cc2)CC1 ZINC001130741691 1080004847 /nfs/dbraw/zinc/00/48/47/1080004847.db2.gz BVRFHUKIQCMXMW-UHFFFAOYSA-N 1 1 420.460 2.952 20 0 HFADMO C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccc(OCCC[NH+]2CCN(C)CC2)cc1 ZINC001130742253 1080006262 /nfs/dbraw/zinc/00/62/62/1080006262.db2.gz PCUNWGUPKDQNHH-UGKGYDQZSA-N 1 1 419.566 2.616 20 0 HFADMO Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000747359811 1080030962 /nfs/dbraw/zinc/03/09/62/1080030962.db2.gz KVYRHOFNMPCODR-IBGZPJMESA-N 1 1 411.550 2.723 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)Nc1csc(-c2ccccc2)n1 ZINC000806859938 1080063598 /nfs/dbraw/zinc/06/35/98/1080063598.db2.gz CEBJATIYYZWYPV-UHFFFAOYSA-N 1 1 418.482 2.954 20 0 HFADMO CC(C)(O)c1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000806886479 1080083593 /nfs/dbraw/zinc/08/35/93/1080083593.db2.gz QCTYVGQPNSWDEH-LJQANCHMSA-N 1 1 409.530 2.533 20 0 HFADMO C[C@@H](NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000806888653 1080085030 /nfs/dbraw/zinc/08/50/30/1080085030.db2.gz KLFZOOGHEJKRTF-MELADBBJSA-N 1 1 407.902 2.548 20 0 HFADMO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000806917380 1080087260 /nfs/dbraw/zinc/08/72/60/1080087260.db2.gz RMOBYBUDFQQNEV-YZGWKJHDSA-N 1 1 402.539 2.817 20 0 HFADMO CN(C)c1[nH+]cc(CNC(=O)N2CCCC[C@H]2COC(=O)NC2CCCCC2)n1C ZINC000806929580 1080096616 /nfs/dbraw/zinc/09/66/16/1080096616.db2.gz QJFDBUIPZLPOIN-KRWDZBQOSA-N 1 1 420.558 2.609 20 0 HFADMO CC[C@H]1CN(C(=O)C(=O)Nc2cccc(C(C)(C)O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000806971940 1080139368 /nfs/dbraw/zinc/13/93/68/1080139368.db2.gz ZLDANVLPEAAUNL-NRFANRHFSA-N 1 1 409.530 2.976 20 0 HFADMO CC[C@H]1CN(C(=O)C(=O)Nc2cccc(C(C)(C)O)c2)CC[N@H+]1Cc1ccccc1 ZINC000806971940 1080139371 /nfs/dbraw/zinc/13/93/71/1080139371.db2.gz ZLDANVLPEAAUNL-NRFANRHFSA-N 1 1 409.530 2.976 20 0 HFADMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000807006876 1080184263 /nfs/dbraw/zinc/18/42/63/1080184263.db2.gz WWPSGCHQNNAPOT-SFHVURJKSA-N 1 1 409.530 2.976 20 0 HFADMO C[C@H]1CCN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000807028941 1080222538 /nfs/dbraw/zinc/22/25/38/1080222538.db2.gz ADNLVDOPNJYGFJ-PYTWLRIVSA-N 1 1 412.456 2.660 20 0 HFADMO C[C@H]1CCN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000807028941 1080222546 /nfs/dbraw/zinc/22/25/46/1080222546.db2.gz ADNLVDOPNJYGFJ-PYTWLRIVSA-N 1 1 412.456 2.660 20 0 HFADMO C[C@@H]1[C@@H](NC(=O)NCC2CN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000807038474 1080228846 /nfs/dbraw/zinc/22/88/46/1080228846.db2.gz HRKKUAQUVHTDHP-APWZRJJASA-N 1 1 402.539 2.816 20 0 HFADMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)C[C@@H]1C ZINC000807088515 1080266639 /nfs/dbraw/zinc/26/66/39/1080266639.db2.gz BXIFPHPFZJEXQV-YYWHXJBOSA-N 1 1 401.551 2.602 20 0 HFADMO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000807088331 1080266691 /nfs/dbraw/zinc/26/66/91/1080266691.db2.gz OKFBSLCTIIOYSQ-QFIPXVFZSA-N 1 1 415.578 2.849 20 0 HFADMO C[C@]1(CNC(=O)C(=O)NC[C@H]2CCc3ccccc3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000807116918 1080292400 /nfs/dbraw/zinc/29/24/00/1080292400.db2.gz RALNIWRUOJIVOI-HFZDXXHNSA-N 1 1 419.569 2.936 20 0 HFADMO COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000807139616 1080299551 /nfs/dbraw/zinc/29/95/51/1080299551.db2.gz UMNGQOAVFSFKMU-QGZVKYPTSA-N 1 1 402.539 2.816 20 0 HFADMO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000807203310 1080351675 /nfs/dbraw/zinc/35/16/75/1080351675.db2.gz LVWIFYDQTXTNKD-UGKGYDQZSA-N 1 1 402.539 2.819 20 0 HFADMO COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc(C(N)=O)c(Cl)n3)CC[N@H+]2C2CC2)c1 ZINC000807205101 1080351730 /nfs/dbraw/zinc/35/17/30/1080351730.db2.gz AEYRYHVXQRWHSD-FUHWJXTLSA-N 1 1 414.893 2.550 20 0 HFADMO COc1cccc([C@@H]2[C@@H](NC(=O)c3cnc(C4OCCO4)s3)CC[N@@H+]2C2CC2)c1 ZINC000807206597 1080356308 /nfs/dbraw/zinc/35/63/08/1080356308.db2.gz WUTIKRIGLMDRGE-FUHWJXTLSA-N 1 1 415.515 2.905 20 0 HFADMO COc1cccc([C@@H]2[C@@H](NC(=O)c3cnc(C4OCCO4)s3)CC[N@H+]2C2CC2)c1 ZINC000807206597 1080356313 /nfs/dbraw/zinc/35/63/13/1080356313.db2.gz WUTIKRIGLMDRGE-FUHWJXTLSA-N 1 1 415.515 2.905 20 0 HFADMO CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000807181669 1080375289 /nfs/dbraw/zinc/37/52/89/1080375289.db2.gz SFUAVZJVYPROMY-MOPGFXCFSA-N 1 1 412.575 2.530 20 0 HFADMO CN(C)C(=O)OC[C@H]1CCCCN1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000807187514 1080380388 /nfs/dbraw/zinc/38/03/88/1080380388.db2.gz DRDKNFBIQKXVAS-WOJBJXKFSA-N 1 1 402.539 2.771 20 0 HFADMO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)CSc1n[nH]c(=S)s1 ZINC000747387167 1080459878 /nfs/dbraw/zinc/45/98/78/1080459878.db2.gz YHAGZCUSALKBCR-AWEZNQCLSA-N 1 1 409.606 2.827 20 0 HFADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)CSc1n[nH]c(=S)s1 ZINC000747387167 1080459882 /nfs/dbraw/zinc/45/98/82/1080459882.db2.gz YHAGZCUSALKBCR-AWEZNQCLSA-N 1 1 409.606 2.827 20 0 HFADMO CCOC(=O)C1=C(Nc2cc3c(cn2)C(=O)NCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC001170522769 1080560048 /nfs/dbraw/zinc/56/00/48/1080560048.db2.gz SXFBKLMCMQHAFD-UHFFFAOYSA-N 1 1 406.486 2.503 20 0 HFADMO C[C@@H]([NH2+]C1(CNC(=O)CSc2n[nH]c(=S)s2)CCOCC1)c1ccccc1 ZINC000747393842 1080560627 /nfs/dbraw/zinc/56/06/27/1080560627.db2.gz TYOPRDLFZLYQEW-CYBMUJFWSA-N 1 1 424.617 2.935 20 0 HFADMO C[C@@H](O)c1cc(NC(=O)C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)ccc1F ZINC000807396280 1080561328 /nfs/dbraw/zinc/56/13/28/1080561328.db2.gz KVIQVXULHRFUSP-HUUCEWRRSA-N 1 1 415.465 2.849 20 0 HFADMO C[C@@H](O)c1cc(NC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)ccc1F ZINC000807396511 1080563165 /nfs/dbraw/zinc/56/31/65/1080563165.db2.gz IOBMTZBZLOODFX-OAHLLOKOSA-N 1 1 414.481 2.598 20 0 HFADMO CCOC(=O)C1=C(Nc2ccc(N3CC[NH2+]CC3)nc2)CCN(Cc2ccccc2)C1 ZINC001170523019 1080567284 /nfs/dbraw/zinc/56/72/84/1080567284.db2.gz XJJBVJLGPIOBOX-UHFFFAOYSA-N 1 1 421.545 2.626 20 0 HFADMO CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCC([C@@H](O)c3ccc(F)cc3)CC1)n2C ZINC000747396004 1080572181 /nfs/dbraw/zinc/57/21/81/1080572181.db2.gz LCQMQWDKMAVRPL-IBGZPJMESA-N 1 1 411.481 2.759 20 0 HFADMO C[N@H+]1CCCN(CCCNC(=O)c2ccccc2CSC2=NCCS2)CC1 ZINC000747394226 1080582528 /nfs/dbraw/zinc/58/25/28/1080582528.db2.gz ZYLRMPMYBXOQQB-UHFFFAOYSA-N 1 1 406.621 2.780 20 0 HFADMO CN1CCC[N@H+](CCCNC(=O)c2ccccc2CSC2=NCCS2)CC1 ZINC000747394226 1080582538 /nfs/dbraw/zinc/58/25/38/1080582538.db2.gz ZYLRMPMYBXOQQB-UHFFFAOYSA-N 1 1 406.621 2.780 20 0 HFADMO CN1CCC[N@@H+](CCCNC(=O)c2ccccc2CSC2=NCCS2)CC1 ZINC000747394226 1080582546 /nfs/dbraw/zinc/58/25/46/1080582546.db2.gz ZYLRMPMYBXOQQB-UHFFFAOYSA-N 1 1 406.621 2.780 20 0 HFADMO O=C(COc1ccccc1Cl)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000807458212 1080635473 /nfs/dbraw/zinc/63/54/73/1080635473.db2.gz VVHPJFXEDRQAGN-UHFFFAOYSA-N 1 1 402.878 2.606 20 0 HFADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C(N)=O)c(Cl)n1 ZINC000807484548 1080667510 /nfs/dbraw/zinc/66/75/10/1080667510.db2.gz GYLNWQDYAMTLNV-KRWDZBQOSA-N 1 1 400.910 2.864 20 0 HFADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NCC[C@](C)(O)c2ccccc2)C1 ZINC000807496177 1080689317 /nfs/dbraw/zinc/68/93/17/1080689317.db2.gz JADMDELLSGGBCR-REHUZNOOSA-N 1 1 415.578 2.513 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCCn2cc(Br)cn2)C1 ZINC000807530145 1080742187 /nfs/dbraw/zinc/74/21/87/1080742187.db2.gz VCYRDMOVZBEPNC-QGZVFWFLSA-N 1 1 406.328 2.562 20 0 HFADMO CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000807543698 1080760367 /nfs/dbraw/zinc/76/03/67/1080760367.db2.gz RGHQNAZGGRWRSO-UZLBHIALSA-N 1 1 424.501 2.973 20 0 HFADMO C[C@H]1[C@H](NC(=O)C(=O)Nc2cccnc2Br)CC[N@H+]1Cc1ccccc1 ZINC000807544735 1080761558 /nfs/dbraw/zinc/76/15/58/1080761558.db2.gz ZSNXODSCCHEPAL-DZGCQCFKSA-N 1 1 417.307 2.562 20 0 HFADMO COC(=O)N1CCC(CNC(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)CC1 ZINC000807526303 1080778192 /nfs/dbraw/zinc/77/81/92/1080778192.db2.gz BDBMVQBXGHYAKA-SFHVURJKSA-N 1 1 402.539 2.771 20 0 HFADMO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000747404899 1080786931 /nfs/dbraw/zinc/78/69/31/1080786931.db2.gz JANKKHFUVRVAOO-MAUKXSAKSA-N 1 1 417.579 2.821 20 0 HFADMO CC[N@H+]1CC[C@H](N(C)C(=O)CCN2C(=S)N=NC2c2ccc(OC)cc2)[C@@H](C)C1 ZINC000747406070 1080792629 /nfs/dbraw/zinc/79/26/29/1080792629.db2.gz WFDKAPWNYQQGNQ-YJBOKZPZSA-N 1 1 417.579 2.821 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000807555614 1080806998 /nfs/dbraw/zinc/80/69/98/1080806998.db2.gz GKVZBFBUFZLRAZ-IBGZPJMESA-N 1 1 414.937 2.783 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1 ZINC000807558326 1080809081 /nfs/dbraw/zinc/80/90/81/1080809081.db2.gz AJPYQGUTQHKFMM-LJQANCHMSA-N 1 1 416.953 2.932 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000807558047 1080809789 /nfs/dbraw/zinc/80/97/89/1080809789.db2.gz QXXXZAFXENZZBJ-QGZVFWFLSA-N 1 1 414.937 2.783 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000807558720 1080813119 /nfs/dbraw/zinc/81/31/19/1080813119.db2.gz GBXNYOPIJLITSJ-MRXNPFEDSA-N 1 1 402.926 2.686 20 0 HFADMO COC(=O)c1ccc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1C(=O)OC ZINC001164629565 719060168 /nfs/dbraw/zinc/06/01/68/719060168.db2.gz XWGUKOUMTZXRDB-PKOBYXMFSA-N 1 1 409.486 2.756 20 0 HFADMO CN1c2cnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc2N2CCC[C@H]2C1=O ZINC001164629495 719079598 /nfs/dbraw/zinc/07/95/98/719079598.db2.gz XUAFIUHDNIHGSG-SVFBPWRDSA-N 1 1 418.545 2.523 20 0 HFADMO COC(=O)c1cc2cnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc2n1C ZINC001164629192 719095714 /nfs/dbraw/zinc/09/57/14/719095714.db2.gz RAPJFXFAAHKBQX-FXAWDEMLSA-N 1 1 405.502 2.856 20 0 HFADMO C[C@@H]1CN(c2cc3c(ncnc3Cl)n2S(=O)(=O)c2ccccc2)[C@@H](C)C[N@H+]1C ZINC001164634854 719227956 /nfs/dbraw/zinc/22/79/56/719227956.db2.gz HTXKZJIPKJRZJC-KGLIPLIRSA-N 1 1 419.938 2.851 20 0 HFADMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1nc(CN2CCOCC2)nc2sc3c(c21)CCC3 ZINC001164634526 719237289 /nfs/dbraw/zinc/23/72/89/719237289.db2.gz MTIRJYKSJAWCHJ-LSDHHAIUSA-N 1 1 401.580 2.541 20 0 HFADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4O[C@H](c5nc(C6CC6)cs5)C[C@H]4C3)n2)CC1 ZINC001164645592 719290308 /nfs/dbraw/zinc/29/03/08/719290308.db2.gz KZVVHSIVPGIEAP-SZMVWBNQSA-N 1 1 412.563 2.529 20 0 HFADMO C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N(C)C[C@H](O)CO)c23)C1 ZINC001164667933 719366039 /nfs/dbraw/zinc/36/60/39/719366039.db2.gz LTLXDYLZJPGQOL-GJZGRUSLSA-N 1 1 404.580 2.591 20 0 HFADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2ccc(F)cc21 ZINC001164697000 719842889 /nfs/dbraw/zinc/84/28/89/719842889.db2.gz BLEWZHBOPDMOJZ-VLIAUNLRSA-N 1 1 422.888 2.655 20 0 HFADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)c2ccccc21 ZINC001164697275 719843226 /nfs/dbraw/zinc/84/32/26/719843226.db2.gz CGIWACMEJQNBGM-VLIAUNLRSA-N 1 1 404.898 2.516 20 0 HFADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c(Cl)cccc21 ZINC001164706464 719845316 /nfs/dbraw/zinc/84/53/16/719845316.db2.gz XDNKQVHGHSHOMB-VLIAUNLRSA-N 1 1 404.898 2.516 20 0 HFADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c(C)cccc21 ZINC001164704575 719849037 /nfs/dbraw/zinc/84/90/37/719849037.db2.gz RWCYMTGBYRGVGM-QVKFZJNVSA-N 1 1 418.925 2.824 20 0 HFADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)c2cccc(C)c21 ZINC001164701133 719852792 /nfs/dbraw/zinc/85/27/92/719852792.db2.gz JPGFQQNHZZMEAE-VFNWGFHPSA-N 1 1 418.925 2.824 20 0 HFADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)nc2sc(C)c(C)c21 ZINC001164698452 719853257 /nfs/dbraw/zinc/85/32/57/719853257.db2.gz CJOPTCRUCJLKRC-HRAATJIYSA-N 1 1 418.563 2.849 20 0 HFADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2cc(C)ccc21 ZINC001164706723 719855476 /nfs/dbraw/zinc/85/54/76/719855476.db2.gz YPYXPLGWTNIBHL-QVKFZJNVSA-N 1 1 418.925 2.824 20 0 HFADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nncc2cc(Cl)ccc21 ZINC001164700562 719856438 /nfs/dbraw/zinc/85/64/38/719856438.db2.gz IAKHRXSPARXOKP-OXQOHEQNSA-N 1 1 404.898 2.516 20 0 HFADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(F)cc2ncnc(Cl)c21 ZINC001164706079 719864556 /nfs/dbraw/zinc/86/45/56/719864556.db2.gz OREHEAQBPFKDBM-VBKZILBWSA-N 1 1 422.888 2.655 20 0 HFADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc2[nH]cc(C)c21 ZINC001164706165 719866355 /nfs/dbraw/zinc/86/63/55/719866355.db2.gz OWXMJAYHEXMUIB-VBKZILBWSA-N 1 1 406.914 2.757 20 0 HFADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)nc2scc(C)c21 ZINC001164703787 719872789 /nfs/dbraw/zinc/87/27/89/719872789.db2.gz KNOPSDGRSBGZPV-FOIQADDNSA-N 1 1 404.536 2.541 20 0 HFADMO COC(=O)c1cc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164699124 719886781 /nfs/dbraw/zinc/88/67/81/719886781.db2.gz HASKOZRDSFXZMA-UHFFFAOYSA-N 1 1 422.938 2.850 20 0 HFADMO COC(=O)c1cc(Cl)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164699124 719886782 /nfs/dbraw/zinc/88/67/82/719886782.db2.gz HASKOZRDSFXZMA-UHFFFAOYSA-N 1 1 422.938 2.850 20 0 HFADMO NC(=O)c1cc(F)c(Cl)nc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164694581 719889058 /nfs/dbraw/zinc/88/90/58/719889058.db2.gz AFDLETSUMSRPCR-UHFFFAOYSA-N 1 1 424.929 2.906 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cccc(SCC(=O)OC)n1)C2 ZINC001164816056 720151875 /nfs/dbraw/zinc/15/18/75/720151875.db2.gz KBHKOYROFDOTJZ-LAUBAEHRSA-N 1 1 405.564 2.531 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)nc1OC)C2 ZINC001164819731 720154643 /nfs/dbraw/zinc/15/46/43/720154643.db2.gz XXDQHMCEZXGRSG-RDTXWAMCSA-N 1 1 416.900 2.868 20 0 HFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN([C@@H](F)Oc1ccnc(Cl)c1)CCC2 ZINC001164812853 720217718 /nfs/dbraw/zinc/21/77/18/720217718.db2.gz JPNOVZGBLRFSFZ-LJQANCHMSA-N 1 1 409.893 2.670 20 0 HFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3ncsc31)CCC2 ZINC001164812843 720223909 /nfs/dbraw/zinc/22/39/09/720223909.db2.gz JPLZURLDFDFKHN-UHFFFAOYSA-N 1 1 419.942 2.547 20 0 HFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc(-c3ccccc3)cn1)CCC2 ZINC001164814495 720235834 /nfs/dbraw/zinc/23/58/34/720235834.db2.gz VOTNGRBRLXRMLS-UHFFFAOYSA-N 1 1 404.518 2.951 20 0 HFADMO Cc1ccc(-c2ccc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)nn2)o1 ZINC001164812250 720240660 /nfs/dbraw/zinc/24/06/60/720240660.db2.gz DSMOIEIQTZYRRO-UHFFFAOYSA-N 1 1 408.506 2.852 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C)c4ccc(Cl)cc4n3)C2)C1 ZINC001164720059 720263884 /nfs/dbraw/zinc/26/38/84/720263884.db2.gz QWWSTZGCUZTQOJ-JOCHJYFZSA-N 1 1 416.953 2.861 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(C)c4ccc(Cl)cc4n3)C2)C1 ZINC001164720059 720263897 /nfs/dbraw/zinc/26/38/97/720263897.db2.gz QWWSTZGCUZTQOJ-JOCHJYFZSA-N 1 1 416.953 2.861 20 0 HFADMO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164729916 720348948 /nfs/dbraw/zinc/34/89/48/720348948.db2.gz YWEXVPSBNBXPOH-HUUCEWRRSA-N 1 1 408.884 2.989 20 0 HFADMO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164729916 720348953 /nfs/dbraw/zinc/34/89/53/720348953.db2.gz YWEXVPSBNBXPOH-HUUCEWRRSA-N 1 1 408.884 2.989 20 0 HFADMO COC(=O)c1cc2c(OC)[nH]c(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)cc-2n1 ZINC001164731048 720378612 /nfs/dbraw/zinc/37/86/12/720378612.db2.gz YKQPFASDHFQXOC-OALUTQOASA-N 1 1 407.474 2.606 20 0 HFADMO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164725812 720418657 /nfs/dbraw/zinc/41/86/57/720418657.db2.gz BAKIIIFFDWWEPG-TZFVZSICSA-N 1 1 403.486 2.997 20 0 HFADMO CC(C)N1Cc2c(nc(Cl)nc2N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)C1=O ZINC001164726384 720426868 /nfs/dbraw/zinc/42/68/68/720426868.db2.gz BVMFOASFKHLGRK-IRXDYDNUSA-N 1 1 412.925 2.742 20 0 HFADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c12 ZINC001164730255 720427935 /nfs/dbraw/zinc/42/79/35/720427935.db2.gz IXZSLOMQHJWTHF-HUUCEWRRSA-N 1 1 412.881 2.646 20 0 HFADMO CN(C)c1cc(C(F)(F)N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc(Cl)n1 ZINC001164726354 720474171 /nfs/dbraw/zinc/47/41/71/720474171.db2.gz LJSHZHSTWBNFLJ-LSDHHAIUSA-N 1 1 408.884 2.989 20 0 HFADMO CN(C)c1cc(C(F)(F)N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc(Cl)n1 ZINC001164726354 720474172 /nfs/dbraw/zinc/47/41/72/720474172.db2.gz LJSHZHSTWBNFLJ-LSDHHAIUSA-N 1 1 408.884 2.989 20 0 HFADMO COCc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(SC)n1 ZINC001164842914 720540269 /nfs/dbraw/zinc/54/02/69/720540269.db2.gz YVCXVVBLCKAONU-QXAKKESOSA-N 1 1 416.595 2.919 20 0 HFADMO COCc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(SC)n1 ZINC001164842912 720540930 /nfs/dbraw/zinc/54/09/30/720540930.db2.gz YVCXVVBLCKAONU-BHIYHBOVSA-N 1 1 416.595 2.919 20 0 HFADMO COCc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(SC)n1 ZINC001164842915 720541000 /nfs/dbraw/zinc/54/10/00/720541000.db2.gz YVCXVVBLCKAONU-YTQUADARSA-N 1 1 416.595 2.919 20 0 HFADMO COC(=O)c1cc(F)c(C)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164841460 720544384 /nfs/dbraw/zinc/54/43/84/720544384.db2.gz VYKRDUSTAPSBJK-MBOZVWFJSA-N 1 1 415.513 2.890 20 0 HFADMO COc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc2c1ccn2C ZINC001164843587 720640253 /nfs/dbraw/zinc/64/02/53/720640253.db2.gz YIWLWPLBFAHHCM-ZIFCJYIRSA-N 1 1 409.538 2.551 20 0 HFADMO c1[nH]c2ccccc2c1-c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164736688 720689475 /nfs/dbraw/zinc/68/94/75/720689475.db2.gz ALDQGKIZRJHVBH-DLBZAZTESA-N 1 1 413.485 2.757 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3c(n1)NC(=O)CO3)CC2 ZINC001164844509 720694367 /nfs/dbraw/zinc/69/43/67/720694367.db2.gz SPTZZTZKPDBPPB-SFHVURJKSA-N 1 1 408.502 2.672 20 0 HFADMO C[C@H]1C(=O)Nc2ncnc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c21 ZINC001164843340 720696104 /nfs/dbraw/zinc/69/61/04/720696104.db2.gz OFQDNRDEOSAUOG-AEFFLSMTSA-N 1 1 407.518 2.792 20 0 HFADMO C[C@@H]1C(=O)Nc2ncnc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c21 ZINC001164843341 720696639 /nfs/dbraw/zinc/69/66/39/720696639.db2.gz OFQDNRDEOSAUOG-FUHWJXTLSA-N 1 1 407.518 2.792 20 0 HFADMO CN(C)c1nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc2nc[nH]c21 ZINC001164841855 720698399 /nfs/dbraw/zinc/69/83/99/720698399.db2.gz JNPINFMQQYYQPQ-GOSISDBHSA-N 1 1 421.549 2.679 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccnc(N3CCOCC3)n1)CC2 ZINC001164844494 720699745 /nfs/dbraw/zinc/69/97/45/720699745.db2.gz SLZJWLVKRXCCDP-OAQYLSRUSA-N 1 1 423.561 2.573 20 0 HFADMO Clc1ncc(-c2ccccc2)c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164737577 720700668 /nfs/dbraw/zinc/70/06/68/720700668.db2.gz GJBFLGKVYKCXTM-SJORKVTESA-N 1 1 408.893 2.929 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1C(C)(C)C(=O)N3)CC2 ZINC001164838392 720708454 /nfs/dbraw/zinc/70/84/54/720708454.db2.gz IXMQIQQRAMGVMG-SFHVURJKSA-N 1 1 421.545 2.966 20 0 HFADMO CCOC(=O)c1nccc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164836967 720716287 /nfs/dbraw/zinc/71/62/87/720716287.db2.gz CDBKFGSALNFEIC-LJQANCHMSA-N 1 1 410.518 2.913 20 0 HFADMO CCOC(=O)c1cc2ccccc2nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737172 720728704 /nfs/dbraw/zinc/72/87/04/720728704.db2.gz AJBREFAWMFIZCD-ROUUACIJSA-N 1 1 419.485 2.543 20 0 HFADMO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742169 720743601 /nfs/dbraw/zinc/74/36/01/720743601.db2.gz NPQXETIAGURUAG-UONOGXRCSA-N 1 1 420.851 2.893 20 0 HFADMO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742169 720743608 /nfs/dbraw/zinc/74/36/08/720743608.db2.gz NPQXETIAGURUAG-UONOGXRCSA-N 1 1 420.851 2.893 20 0 HFADMO Clc1cccc(-c2cc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)ncn2)c1 ZINC001164738948 720771757 /nfs/dbraw/zinc/77/17/57/720771757.db2.gz HAKRQQGVNUXFFK-ZWKOTPCHSA-N 1 1 408.893 2.929 20 0 HFADMO c1ccc2c(c1)cc(N1CCCC1)nc2N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745849 720773403 /nfs/dbraw/zinc/77/34/03/720773403.db2.gz WAQXGFHHKUTZCT-WOJBJXKFSA-N 1 1 416.529 2.967 20 0 HFADMO CCc1ccc(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1 ZINC001164738034 720781031 /nfs/dbraw/zinc/78/10/31/720781031.db2.gz DOLQXZACYIMAPQ-PMACEKPBSA-N 1 1 402.502 2.838 20 0 HFADMO c1ccc(CSc2cc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)ncn2)cc1 ZINC001164746080 720789628 /nfs/dbraw/zinc/78/96/28/720789628.db2.gz LSWBFLSYPFMKME-RBUKOAKNSA-N 1 1 420.542 2.901 20 0 HFADMO c1ccc(CSc2cc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)ncn2)cc1 ZINC001164746083 720790174 /nfs/dbraw/zinc/79/01/74/720790174.db2.gz LSWBFLSYPFMKME-RTBURBONSA-N 1 1 420.542 2.901 20 0 HFADMO CCN(c1ccccc1)c1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)ncn1 ZINC001164744088 720790751 /nfs/dbraw/zinc/79/07/51/720790751.db2.gz HIKJGEZFPXKXDB-WOJBJXKFSA-N 1 1 417.517 2.767 20 0 HFADMO c1ccc(CSc2ccnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164746701 720798367 /nfs/dbraw/zinc/79/83/67/720798367.db2.gz MQJYXACDJXPHPZ-RTBURBONSA-N 1 1 420.542 2.901 20 0 HFADMO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1NCC1CC1 ZINC001164750391 720807891 /nfs/dbraw/zinc/80/78/91/720807891.db2.gz VLBVVEKUKFJZID-PWRODBHTSA-N 1 1 422.581 2.578 20 0 HFADMO Cc1nc2sccc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164743401 720808528 /nfs/dbraw/zinc/80/85/28/720808528.db2.gz FWJLULJXGUITAL-YQVWRLOYSA-N 1 1 409.563 2.971 20 0 HFADMO Cc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1C ZINC001164745971 720808886 /nfs/dbraw/zinc/80/88/86/720808886.db2.gz LASKTHTUQCBCJA-OKZBNKHCSA-N 1 1 401.946 2.718 20 0 HFADMO FC(F)(c1cnc(Cl)cn1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747487 720814166 /nfs/dbraw/zinc/81/41/66/720814166.db2.gz OEJLITSLFIQWSE-HRCADAONSA-N 1 1 423.899 2.646 20 0 HFADMO CCOC(=O)c1cc(C)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164746911 720817505 /nfs/dbraw/zinc/81/75/05/720817505.db2.gz ZLBNGSHHVUVNEL-SVFBPWRDSA-N 1 1 424.549 2.538 20 0 HFADMO Cc1ccc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164741455 720819357 /nfs/dbraw/zinc/81/93/57/720819357.db2.gz NVPJCHBXBYKRRT-XQBPLPMBSA-N 1 1 403.534 2.909 20 0 HFADMO O=C([C@@H]1CC[C@@H]2[C@H](CCN2c2nc(Cl)ccc2C[NH+]2CCCC2)O1)N1CCCO1 ZINC001164852201 720820635 /nfs/dbraw/zinc/82/06/35/720820635.db2.gz ZZKQBUCDBBUECN-SQNIBIBYSA-N 1 1 420.941 2.621 20 0 HFADMO COc1ccc2cnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1 ZINC001164741782 720821313 /nfs/dbraw/zinc/82/13/13/720821313.db2.gz OFTWBRHPOOHGRZ-WOIUINJBSA-N 1 1 419.533 2.609 20 0 HFADMO Cc1nc(C)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164742790 720824679 /nfs/dbraw/zinc/82/46/79/720824679.db2.gz QWRZMLKHOWPCRP-RCCFBDPRSA-N 1 1 401.946 2.718 20 0 HFADMO Fc1cccc2c1ncnc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744117 720824979 /nfs/dbraw/zinc/82/49/79/720824979.db2.gz UFOZGCJJKCGVEA-SQGPQFPESA-N 1 1 407.497 2.740 20 0 HFADMO COc1cc(Cl)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164739274 720826775 /nfs/dbraw/zinc/82/67/75/720826775.db2.gz HWXICWPFRZOENO-RYQLBKOJSA-N 1 1 402.930 2.715 20 0 HFADMO Cc1[nH]c2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1C ZINC001164737383 720830714 /nfs/dbraw/zinc/83/07/14/720830714.db2.gz AQDANPSLYDOKDO-GBESFXJTSA-N 1 1 406.538 2.546 20 0 HFADMO c1ncn(C[C@H]2C[C@@H]3CN(c4ccc(-c5ccncc5)nn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164748127 720852308 /nfs/dbraw/zinc/85/23/08/720852308.db2.gz KJLRMVUCPRBVCR-KCZVDYSFSA-N 1 1 416.533 2.510 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(-c4nc(C(C)(C)C)no4)ccn3)CC[C@H]2C1 ZINC001164857420 720870778 /nfs/dbraw/zinc/87/07/78/720870778.db2.gz QTAXYUMQCZJRKV-ZWKOTPCHSA-N 1 1 415.538 2.603 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c(Cl)nccc43)CC[C@H]2C1 ZINC001164859983 720872972 /nfs/dbraw/zinc/87/29/72/720872972.db2.gz NUDLUBPMYQQOQG-JSGCOSHPSA-N 1 1 412.321 2.505 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc(-c4cccc(Cl)c4)nn3)CC[C@H]2C1 ZINC001164859262 720876337 /nfs/dbraw/zinc/87/63/37/720876337.db2.gz MGLHYTZXRBAESK-FXAWDEMLSA-N 1 1 402.926 2.971 20 0 HFADMO Cc1cc(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(Cl)n1 ZINC001164871409 721072868 /nfs/dbraw/zinc/07/28/68/721072868.db2.gz YQDXSPJGZGJMKL-CVEARBPZSA-N 1 1 409.868 2.858 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(NC(=O)OC(C)(C)C)ncn4)C[C@@H]3C2)cn1 ZINC001164762107 721091288 /nfs/dbraw/zinc/09/12/88/721091288.db2.gz CNDSYSFWCSRHSH-IRXDYDNUSA-N 1 1 413.526 2.515 20 0 HFADMO CCOC(=O)c1c(C)cc(Cl)nc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164769944 721107478 /nfs/dbraw/zinc/10/74/78/721107478.db2.gz QMJPJSQVVIODQU-DLBZAZTESA-N 1 1 417.941 2.912 20 0 HFADMO CCOC(=O)c1cc2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)[nH]c-2n1 ZINC001164865607 721115092 /nfs/dbraw/zinc/11/50/92/721115092.db2.gz NKMATTKCJZXNIP-OALUTQOASA-N 1 1 421.501 2.614 20 0 HFADMO CCOC(=O)c1cc2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2[nH]1 ZINC001164865607 721115100 /nfs/dbraw/zinc/11/51/00/721115100.db2.gz NKMATTKCJZXNIP-OALUTQOASA-N 1 1 421.501 2.614 20 0 HFADMO CCOC(=O)c1cc2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2[nH]1 ZINC001164865607 721115111 /nfs/dbraw/zinc/11/51/11/721115111.db2.gz NKMATTKCJZXNIP-OALUTQOASA-N 1 1 421.501 2.614 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)COc4ccnc(Cl)c4)C[C@@H]3C2)cn1 ZINC001164769170 721122383 /nfs/dbraw/zinc/12/23/83/721122383.db2.gz PRFWRWWXQUXJST-HOTGVXAUSA-N 1 1 411.884 2.894 20 0 HFADMO COc1cccc2c1nc(Cl)nc2N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164762083 721127317 /nfs/dbraw/zinc/12/73/17/721127317.db2.gz BVIQFHWHFLTZHA-HOTGVXAUSA-N 1 1 412.925 2.984 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(OCc5ccccc5)cnn4)C[C@H]3C2)cn1 ZINC001164772739 721152840 /nfs/dbraw/zinc/15/28/40/721152840.db2.gz VUWZKHWESJMAPM-NHCUHLMSSA-N 1 1 404.518 2.747 20 0 HFADMO Cc1nc(-c2ccncc2)nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1C ZINC001164768427 721218898 /nfs/dbraw/zinc/21/88/98/721218898.db2.gz KZSKSDTVVNTGNB-LEWJYISDSA-N 1 1 403.534 2.847 20 0 HFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc4ccccc4cc3Cl)CC2)C1 ZINC001164870282 721269363 /nfs/dbraw/zinc/26/93/63/721269363.db2.gz VDSXFNRVLBXATN-UHFFFAOYSA-N 1 1 416.953 2.895 20 0 HFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc4ccc(Cl)cc4n3)CC2)C1 ZINC001164872945 721278973 /nfs/dbraw/zinc/27/89/73/721278973.db2.gz IXOKUQJKZAKDFJ-UHFFFAOYSA-N 1 1 416.953 2.895 20 0 HFADMO CCN1CC[C@]2(CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]2C)C1=O ZINC001164777477 721318583 /nfs/dbraw/zinc/31/85/83/721318583.db2.gz JUGJEXXSKVABBR-MHECFPHRSA-N 1 1 405.546 2.730 20 0 HFADMO CCN1CC[C@]2(CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2C)C1=O ZINC001164777477 721318588 /nfs/dbraw/zinc/31/85/88/721318588.db2.gz JUGJEXXSKVABBR-MHECFPHRSA-N 1 1 405.546 2.730 20 0 HFADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC3(CC(N(C)C)=[NH+]O3)CC2)c1 ZINC001164874801 721326699 /nfs/dbraw/zinc/32/66/99/721326699.db2.gz JFZSGHBFZDYCSA-UHFFFAOYSA-N 1 1 402.829 2.701 20 0 HFADMO CSc1cc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)ncn1 ZINC001164777988 721338586 /nfs/dbraw/zinc/33/85/86/721338586.db2.gz RSXVMOYQHALURT-HXUWFJFHSA-N 1 1 403.552 2.922 20 0 HFADMO CSc1cc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)ncn1 ZINC001164777988 721338590 /nfs/dbraw/zinc/33/85/90/721338590.db2.gz RSXVMOYQHALURT-HXUWFJFHSA-N 1 1 403.552 2.922 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nccc4c3ncn4C)C2)C1 ZINC001164776706 721339552 /nfs/dbraw/zinc/33/95/52/721339552.db2.gz HXSVHKNIWCFPFL-JOCHJYFZSA-N 1 1 410.522 2.692 20 0 HFADMO COc1cc(OC)nc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164779756 721349476 /nfs/dbraw/zinc/34/94/76/721349476.db2.gz VRUGSXROOMWGNU-QFIPXVFZSA-N 1 1 416.522 2.823 20 0 HFADMO COc1cc(OC)nc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164779756 721349478 /nfs/dbraw/zinc/34/94/78/721349478.db2.gz VRUGSXROOMWGNU-QFIPXVFZSA-N 1 1 416.522 2.823 20 0 HFADMO COc1nc(C)cc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164780013 721350272 /nfs/dbraw/zinc/35/02/72/721350272.db2.gz YHIKWCHNHWEWGC-NRFANRHFSA-N 1 1 401.511 2.517 20 0 HFADMO Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc(-n4ccnc4)cc[nH+]3)C2)C1 ZINC001164780293 721370663 /nfs/dbraw/zinc/37/06/63/721370663.db2.gz FTENYPWZXLSCTN-HSZRJFAPSA-N 1 1 422.533 2.991 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccnc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164885698 721390270 /nfs/dbraw/zinc/39/02/70/721390270.db2.gz DDJBPDAJFCEOKX-QPPBQGQZSA-N 1 1 407.562 2.909 20 0 HFADMO CCOC(=O)c1cc2ncnc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c2s1 ZINC001164788240 721418431 /nfs/dbraw/zinc/41/84/31/721418431.db2.gz RNABHHPBXZCYCI-STQMWFEESA-N 1 1 415.544 2.893 20 0 HFADMO COC(=O)c1c(Cl)cnc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1OC ZINC001164782516 721422277 /nfs/dbraw/zinc/42/22/77/721422277.db2.gz GQXIHMUDBAFFQY-TXEJJXNPSA-N 1 1 408.911 2.555 20 0 HFADMO COC(=O)c1c(Cl)cnc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1OC ZINC001164782516 721422279 /nfs/dbraw/zinc/42/22/79/721422279.db2.gz GQXIHMUDBAFFQY-TXEJJXNPSA-N 1 1 408.911 2.555 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nnc(Cl)c5ccoc54)C3)O2)CC1 ZINC001164890519 721423374 /nfs/dbraw/zinc/42/33/74/721423374.db2.gz SYZGYTBWPBXIQJ-MGPUTAFESA-N 1 1 405.930 2.642 20 0 HFADMO CC1CCN(C(=O)c2ccc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)nc2)CC1 ZINC001164784825 721425769 /nfs/dbraw/zinc/42/57/69/721425769.db2.gz MNHNSFZQLWISMW-RTBURBONSA-N 1 1 411.575 2.978 20 0 HFADMO Cc1cc2ncnc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2s1 ZINC001164889572 721428528 /nfs/dbraw/zinc/42/85/28/721428528.db2.gz BUILMXJXPHKTSK-DYESRHJHSA-N 1 1 401.580 2.765 20 0 HFADMO CSc1ncc(Cl)nc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164895782 721430787 /nfs/dbraw/zinc/43/07/87/721430787.db2.gz PLILZNPFQGAQJK-HNAYVOBHSA-N 1 1 412.003 2.617 20 0 HFADMO Clc1nc2c(Cl)ncnc2c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164785533 721433525 /nfs/dbraw/zinc/43/35/25/721433525.db2.gz NNPQPKNHOBFBPF-UWVGGRQHSA-N 1 1 408.318 2.751 20 0 HFADMO COC(=O)c1nc(Cl)c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c(Cl)n1 ZINC001164785776 721437532 /nfs/dbraw/zinc/43/75/32/721437532.db2.gz OFOBXYLIFDAWLP-NXEZZACHSA-N 1 1 414.318 2.595 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(-c5cccs5)ncn4)C3)O2)CC1 ZINC001164896692 721438303 /nfs/dbraw/zinc/43/83/03/721438303.db2.gz RTTUZHSMSMEGCJ-AVRDEDQJSA-N 1 1 413.591 2.971 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccsc5)nn4)C3)O2)CC1 ZINC001164898510 721444769 /nfs/dbraw/zinc/44/47/69/721444769.db2.gz WCYNYURJCZHSHQ-KNQAVFIVSA-N 1 1 413.591 2.971 20 0 HFADMO CCOc1ccnc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164788575 721457350 /nfs/dbraw/zinc/45/73/50/721457350.db2.gz UFIOQVRMRKTHHU-LJQANCHMSA-N 1 1 404.555 2.609 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(Cl)c[n+]1[O-])CC2 ZINC001164783503 721465051 /nfs/dbraw/zinc/46/50/51/721465051.db2.gz DGYMXAWQWUIHKY-IBGZPJMESA-N 1 1 409.958 2.707 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)nc(OC)c1C)CC2 ZINC001164791245 721470628 /nfs/dbraw/zinc/47/06/28/721470628.db2.gz VYTYKXFCXZZDCX-FQEVSTJZSA-N 1 1 418.582 2.836 20 0 HFADMO CCOC(=O)Cc1ccc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nn1 ZINC001164796361 721498091 /nfs/dbraw/zinc/49/80/91/721498091.db2.gz RLJHFDNGUBDEMZ-UHFFFAOYSA-N 1 1 409.534 2.858 20 0 HFADMO CCOC(=O)c1cnc(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900115 721511083 /nfs/dbraw/zinc/51/10/83/721511083.db2.gz OFVGJCWIIXBDCF-HOCLYGCPSA-N 1 1 420.872 2.788 20 0 HFADMO COC(=O)c1cccc2nc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)ncc21 ZINC001164900683 721524322 /nfs/dbraw/zinc/52/43/22/721524322.db2.gz SYOQONIEYZQGEO-SJLPKXTDSA-N 1 1 422.460 2.897 20 0 HFADMO Cc1nc2nc(Cl)nc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2[nH]1 ZINC001164900306 721525476 /nfs/dbraw/zinc/52/54/76/721525476.db2.gz PZPADVBJMMMMPU-UKRRQHHQSA-N 1 1 402.861 2.796 20 0 HFADMO COC(=O)c1cnc(Cl)cc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164795078 721526874 /nfs/dbraw/zinc/52/68/74/721526874.db2.gz JDMBSPRQRMBDEY-QRFRQXIXSA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1cnc(Cl)cc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164795078 721526877 /nfs/dbraw/zinc/52/68/77/721526877.db2.gz JDMBSPRQRMBDEY-QRFRQXIXSA-N 1 1 416.909 2.785 20 0 HFADMO O=c1cc2[nH]c(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c(Cl)cc-2[nH]1 ZINC001164905190 721536669 /nfs/dbraw/zinc/53/66/69/721536669.db2.gz GJQWQAOVPVMOLS-UKRRQHHQSA-N 1 1 402.857 2.711 20 0 HFADMO CCOC(=O)c1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(OC)c1 ZINC001164905859 721542365 /nfs/dbraw/zinc/54/23/65/721542365.db2.gz JHSDSLQICDTWEJ-MJGOQNOKSA-N 1 1 415.465 2.748 20 0 HFADMO COC(=O)c1cc2c[nH]c(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)cc-2n1 ZINC001164910378 721548846 /nfs/dbraw/zinc/54/88/46/721548846.db2.gz UMIMVTYCHPVIJD-WMZOPIPTSA-N 1 1 410.449 2.831 20 0 HFADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc[nH]c5nc(=S)sc4-5)CC[N@H+]3C2)c1 ZINC001164906827 721550096 /nfs/dbraw/zinc/55/00/96/721550096.db2.gz LMVYHNBDPIWHCS-JSGCOSHPSA-N 1 1 403.508 2.856 20 0 HFADMO CCOC(=O)c1cnc(CC)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903183 721562782 /nfs/dbraw/zinc/56/27/82/721562782.db2.gz BJKRRHCBEDRTDP-AEFFLSMTSA-N 1 1 414.481 2.697 20 0 HFADMO Cc1noc(-c2ccnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2)n1 ZINC001164809552 721580683 /nfs/dbraw/zinc/58/06/83/721580683.db2.gz TVFTWCMSSCKVEQ-ZJOUEHCJSA-N 1 1 406.490 2.703 20 0 HFADMO CCOC(=O)c1cncnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164902206 721583349 /nfs/dbraw/zinc/58/33/49/721583349.db2.gz CWMSKHDKEUVYQC-FQEVSTJZSA-N 1 1 417.460 2.786 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccn3)nn2)[C@H]2CCCO[C@H]12 ZINC001164809498 721583813 /nfs/dbraw/zinc/58/38/13/721583813.db2.gz SRWVMBZUPWNCCH-XJUOHMSHSA-N 1 1 402.502 2.802 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccn3)nn2)[C@H]2CCCO[C@H]12 ZINC001164809498 721583814 /nfs/dbraw/zinc/58/38/14/721583814.db2.gz SRWVMBZUPWNCCH-XJUOHMSHSA-N 1 1 402.502 2.802 20 0 HFADMO C[C@@H]1CCCN(c2cc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)ncn2)C1 ZINC001164800176 721585012 /nfs/dbraw/zinc/58/50/12/721585012.db2.gz CILIGHKGDJQGPA-HBDUWURDSA-N 1 1 422.577 2.976 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN([C@H](F)Oc2ccc(Cl)nn2)[C@H]2CCCO[C@@H]12 ZINC001164800075 721591395 /nfs/dbraw/zinc/59/13/95/721591395.db2.gz BNTVDHXZDAEDPY-SFUIVIKGSA-N 1 1 407.877 2.521 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN([C@H](F)Oc2ccc(Cl)nn2)[C@H]2CCCO[C@@H]12 ZINC001164800075 721591397 /nfs/dbraw/zinc/59/13/97/721591397.db2.gz BNTVDHXZDAEDPY-SFUIVIKGSA-N 1 1 407.877 2.521 20 0 HFADMO COCCOc1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164912768 721725390 /nfs/dbraw/zinc/72/53/90/721725390.db2.gz QABZPWURFZQPOT-FQEVSTJZSA-N 1 1 419.476 2.635 20 0 HFADMO NC(=O)c1ccnc(Cl)c1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164913086 721734126 /nfs/dbraw/zinc/73/41/26/721734126.db2.gz SJPFXDZOWFCKNR-IBGZPJMESA-N 1 1 421.879 2.967 20 0 HFADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)Oc2cccc(Cl)n2)CC1 ZINC001165011628 721735181 /nfs/dbraw/zinc/73/51/81/721735181.db2.gz TWPVKQWSSGQNGG-UHFFFAOYSA-N 1 1 402.873 2.683 20 0 HFADMO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3CCNC4)C[C@H]21 ZINC001165026621 721804457 /nfs/dbraw/zinc/80/44/57/721804457.db2.gz ROLFYEFPJJAWDU-XFQXTVEOSA-N 1 1 412.969 2.908 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3CCNC4)C[C@H]21 ZINC001165026621 721804458 /nfs/dbraw/zinc/80/44/58/721804458.db2.gz ROLFYEFPJJAWDU-XFQXTVEOSA-N 1 1 412.969 2.908 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3S(C)(=O)=O)C[C@H]21 ZINC001165021295 721807270 /nfs/dbraw/zinc/80/72/70/721807270.db2.gz GCSLBNSXEYPKFC-QXAKKESOSA-N 1 1 400.548 2.617 20 0 HFADMO COC(=O)c1c[n-]c2nc[nH+]c(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165022616 721816303 /nfs/dbraw/zinc/81/63/03/721816303.db2.gz GDRUXGCTHCELCX-SNRMKQJTSA-N 1 1 420.517 2.876 20 0 HFADMO COC(=O)c1c[nH]c2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165022616 721816309 /nfs/dbraw/zinc/81/63/09/721816309.db2.gz GDRUXGCTHCELCX-SNRMKQJTSA-N 1 1 420.517 2.876 20 0 HFADMO COC(=O)c1c[nH]c2ncnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165022616 721816311 /nfs/dbraw/zinc/81/63/11/721816311.db2.gz GDRUXGCTHCELCX-SNRMKQJTSA-N 1 1 420.517 2.876 20 0 HFADMO CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(c1ccc(C[N@@H+](C)C3CC3)cn1)C2 ZINC001164920696 721836958 /nfs/dbraw/zinc/83/69/58/721836958.db2.gz APEFEWFASFTRRY-OFNKIYASSA-N 1 1 408.550 2.730 20 0 HFADMO CN(C)c1nc(-c2ccccc2)nc(N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC001165044175 721957061 /nfs/dbraw/zinc/95/70/61/721957061.db2.gz HOQZWXFQFIXMDT-UHFFFAOYSA-N 1 1 404.518 2.806 20 0 HFADMO NC(=O)c1nc(Cl)nc(Cl)c1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164953605 722018616 /nfs/dbraw/zinc/01/86/16/722018616.db2.gz VQIARLXFKJKDDO-UHFFFAOYSA-N 1 1 421.332 2.770 20 0 HFADMO O=c1ccccn1-c1nccc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955212 722022933 /nfs/dbraw/zinc/02/29/33/722022933.db2.gz ACROWBCVLRYZTL-UHFFFAOYSA-N 1 1 402.502 2.515 20 0 HFADMO Cc1ccc(N(c2ncccc2CN2CCCC2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960554 722025771 /nfs/dbraw/zinc/02/57/71/722025771.db2.gz KLRDCEMVLZMURF-NFBKMPQASA-N 1 1 408.550 2.825 20 0 HFADMO Cc1noc(C[C@@H]2C[C@@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)C[C@H]3O2)n1 ZINC001164964346 722041305 /nfs/dbraw/zinc/04/13/05/722041305.db2.gz UHEAGGSDIDXXBE-IXDOHACOSA-N 1 1 403.914 2.859 20 0 HFADMO COc1cnc(SC)nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164958057 722052659 /nfs/dbraw/zinc/05/26/59/722052659.db2.gz BEFJICVIBHIDGX-UHFFFAOYSA-N 1 1 415.563 2.721 20 0 HFADMO FC(F)(c1cc(Cl)ncn1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978223 722098931 /nfs/dbraw/zinc/09/89/31/722098931.db2.gz GGPDFVPBPVEUQB-CVEARBPZSA-N 1 1 409.868 2.797 20 0 HFADMO Cc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1NCC1CC1 ZINC001164986230 722099053 /nfs/dbraw/zinc/09/90/53/722099053.db2.gz YLZKCBYQBJTRAY-SFTDATJTSA-N 1 1 408.550 2.729 20 0 HFADMO CCOC(=O)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1C ZINC001164986188 722099707 /nfs/dbraw/zinc/09/97/07/722099707.db2.gz YIPGDWLPYBODGF-CTNGQTDRSA-N 1 1 410.518 2.689 20 0 HFADMO CCOC(=O)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1C ZINC001164986197 722099908 /nfs/dbraw/zinc/09/99/08/722099908.db2.gz YIPGDWLPYBODGF-TZIWHRDSSA-N 1 1 410.518 2.689 20 0 HFADMO COC(=O)c1cnc(Cl)cc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978290 722100202 /nfs/dbraw/zinc/10/02/02/722100202.db2.gz GOZVRHDNPUWSBB-QFBILLFUSA-N 1 1 416.909 2.644 20 0 HFADMO COc1ccc2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164986431 722106501 /nfs/dbraw/zinc/10/65/01/722106501.db2.gz YZQQRRCAQZHYEV-XMSQKQJNSA-N 1 1 405.502 2.761 20 0 HFADMO Clc1nc2c(c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)SCC2 ZINC001164976614 722110614 /nfs/dbraw/zinc/11/06/14/722110614.db2.gz LYHOFNCVLJYYQA-NVXWUHKLSA-N 1 1 417.966 2.901 20 0 HFADMO COC(=O)c1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1Cl ZINC001164983138 722115831 /nfs/dbraw/zinc/11/58/31/722115831.db2.gz YJNIHHSTUOJBCB-SJLPKXTDSA-N 1 1 416.909 2.644 20 0 HFADMO Clc1nc2cccnc2nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975818 722116805 /nfs/dbraw/zinc/11/68/05/722116805.db2.gz LBRAGVJMQYCOKJ-WMZOPIPTSA-N 1 1 410.909 2.801 20 0 HFADMO FC(F)(c1cnnc(Cl)c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973055 722119428 /nfs/dbraw/zinc/11/94/28/722119428.db2.gz GGRDSGXETQJFII-NVXWUHKLSA-N 1 1 409.868 2.797 20 0 HFADMO CSc1cnc(Cl)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971910 722121436 /nfs/dbraw/zinc/12/14/36/722121436.db2.gz DMYYLVMEFJDACW-CVEARBPZSA-N 1 1 405.955 2.974 20 0 HFADMO CSc1cnc(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971911 722121636 /nfs/dbraw/zinc/12/16/36/722121636.db2.gz DMYYLVMEFJDACW-HOTGVXAUSA-N 1 1 405.955 2.974 20 0 HFADMO FC(F)(c1cncc(Cl)n1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978864 722133909 /nfs/dbraw/zinc/13/39/09/722133909.db2.gz KBQKMFIQDIMGNI-HZPDHXFCSA-N 1 1 409.868 2.797 20 0 HFADMO CCOCc1cnc(Cl)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973375 722135352 /nfs/dbraw/zinc/13/53/52/722135352.db2.gz BZEVKRZKEWKBKA-IEBWSBKVSA-N 1 1 417.941 2.789 20 0 HFADMO CCOCc1cnc(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973381 722135659 /nfs/dbraw/zinc/13/56/59/722135659.db2.gz BZEVKRZKEWKBKA-PKOBYXMFSA-N 1 1 417.941 2.789 20 0 HFADMO FC(F)(c1nccnc1Cl)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978064 722136617 /nfs/dbraw/zinc/13/66/17/722136617.db2.gz JMEKBMMCVJWIFY-HOTGVXAUSA-N 1 1 409.868 2.797 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4cc(N5CCCCC5)ncn4)CC[C@H]3C2)c1 ZINC001164983854 722139979 /nfs/dbraw/zinc/13/99/79/722139979.db2.gz VWLFFBHOFCWKLX-LEWJYISDSA-N 1 1 408.550 2.589 20 0 HFADMO Cc1noc(-c2cccnc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982220 722142670 /nfs/dbraw/zinc/14/26/70/722142670.db2.gz RKYVIPSFJWUWEF-ICSRJNTNSA-N 1 1 406.490 2.562 20 0 HFADMO Cc1nc(-c2ccncc2)cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984213 722147212 /nfs/dbraw/zinc/14/72/12/722147212.db2.gz WLDCBTKMNKCRPI-GMAHTHKFSA-N 1 1 416.529 2.969 20 0 HFADMO C[C@@H]1C(=O)Nc2cnc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc2N1C ZINC001164995981 722200257 /nfs/dbraw/zinc/20/02/57/722200257.db2.gz RBCJPGPJCYDADY-IVZQSRNASA-N 1 1 410.497 2.637 20 0 HFADMO Cc1cccc2c(C)cc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nc12 ZINC001164998080 722230132 /nfs/dbraw/zinc/23/01/32/722230132.db2.gz WQCWUZLFIFWIQK-UHFFFAOYSA-N 1 1 402.546 2.999 20 0 HFADMO Cc1ccc2nc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c(Cl)nc2c1 ZINC001164997167 722232807 /nfs/dbraw/zinc/23/28/07/722232807.db2.gz NBMAAUXNMZBRPH-UHFFFAOYSA-N 1 1 423.952 2.739 20 0 HFADMO Cc1cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc(-c2ccsc2)n1 ZINC001165002267 722238731 /nfs/dbraw/zinc/23/87/31/722238731.db2.gz SJKYTKHXELTWJC-UHFFFAOYSA-N 1 1 421.574 2.661 20 0 HFADMO C[N@@H+](Cc1ccc(N2CCc3onc(C(=O)Nc4cccnc4)c3C2)nc1)C1CC1 ZINC001165000407 722248338 /nfs/dbraw/zinc/24/83/38/722248338.db2.gz HVVQZKREHDQUPF-UHFFFAOYSA-N 1 1 404.474 2.874 20 0 HFADMO O=S(=O)(NCC[NH2+]Cc1cnn(Cc2ccccc2)c1Cl)c1ccccc1 ZINC000790529133 1078051251 /nfs/dbraw/zinc/05/12/51/1078051251.db2.gz JDFAPEAKMGIFMP-UHFFFAOYSA-N 1 1 404.923 2.653 20 0 HFADMO C[C@]1(c2ccc(C[NH2+]Cc3cnn(Cc4ccccc4)c3Cl)cc2)NC(=O)NC1=O ZINC000790533467 1078052836 /nfs/dbraw/zinc/05/28/36/1078052836.db2.gz OGVXPJLXBYPNJI-JOCHJYFZSA-N 1 1 423.904 2.929 20 0 HFADMO C[C@@H](NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)C1=CC[N@@H+](C)CC1 ZINC000793045176 1078055248 /nfs/dbraw/zinc/05/52/48/1078055248.db2.gz WPRSHEKTUULJQA-UYAOXDASSA-N 1 1 414.550 2.985 20 0 HFADMO CC(C)n1nccc1C[N@@H+]1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC000793087255 1078065508 /nfs/dbraw/zinc/06/55/08/1078065508.db2.gz GVTJGTRHZXJSRV-KRWDZBQOSA-N 1 1 405.543 2.508 20 0 HFADMO CC(C)n1nccc1C[N@H+]1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC000793087255 1078065514 /nfs/dbraw/zinc/06/55/14/1078065514.db2.gz GVTJGTRHZXJSRV-KRWDZBQOSA-N 1 1 405.543 2.508 20 0 HFADMO C[C@H]1C[C@@H](NC(=O)N(CCO)Cc2cccnc2Cl)C[N@H+]1Cc1ccccc1 ZINC000793093635 1078067531 /nfs/dbraw/zinc/06/75/31/1078067531.db2.gz SZBDGQYGJSDHPJ-QFBILLFUSA-N 1 1 402.926 2.902 20 0 HFADMO Cc1c(Br)cccc1CC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000790630013 1078067824 /nfs/dbraw/zinc/06/78/24/1078067824.db2.gz GDQDMLBMDPZWFM-SFHVURJKSA-N 1 1 408.384 2.927 20 0 HFADMO Cc1c(Br)cccc1CC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000790630013 1078067828 /nfs/dbraw/zinc/06/78/28/1078067828.db2.gz GDQDMLBMDPZWFM-SFHVURJKSA-N 1 1 408.384 2.927 20 0 HFADMO CCCN(C(=O)[C@H]1CC(c2cccnc2)=NO1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000790638955 1078072422 /nfs/dbraw/zinc/07/24/22/1078072422.db2.gz FFUJIHPYGYDVJZ-OAQYLSRUSA-N 1 1 422.533 2.889 20 0 HFADMO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000793107061 1078080230 /nfs/dbraw/zinc/08/02/30/1078080230.db2.gz XYPGDXQVXFVGGM-LJQANCHMSA-N 1 1 417.550 2.781 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000793161785 1078085163 /nfs/dbraw/zinc/08/51/63/1078085163.db2.gz HGGWDGPAUXZUOZ-UHFFFAOYSA-N 1 1 406.490 2.670 20 0 HFADMO COCC1(CNC(=O)NCCCn2cc[nH+]c2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000790675413 1078087055 /nfs/dbraw/zinc/08/70/55/1078087055.db2.gz ZNRBIGZRXRWSDO-UHFFFAOYSA-N 1 1 423.558 2.545 20 0 HFADMO COc1cc(C(=O)OC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc(Br)c1OC ZINC000793145559 1078089888 /nfs/dbraw/zinc/08/98/88/1078089888.db2.gz DLXXMYJBOFECPU-AWEZNQCLSA-N 1 1 416.312 2.980 20 0 HFADMO Cc1cc(N2CCC[C@@H](OC(=O)[C@@H]3CCS(=O)(=O)c4ccccc43)C2)nc(C)[nH+]1 ZINC000793146613 1078090085 /nfs/dbraw/zinc/09/00/85/1078090085.db2.gz IMUOFKSFSLSYHS-SJLPKXTDSA-N 1 1 415.515 2.567 20 0 HFADMO O=C1c2cc(Br)ccc2N(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000772827641 1078096807 /nfs/dbraw/zinc/09/68/07/1078096807.db2.gz JKTXPSLJQFLUDZ-GUYCJALGSA-N 1 1 418.335 2.885 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000793219744 1078099705 /nfs/dbraw/zinc/09/97/05/1078099705.db2.gz NRSTZMPCVCNMGG-MRXNPFEDSA-N 1 1 416.526 2.742 20 0 HFADMO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC000790757290 1078111751 /nfs/dbraw/zinc/11/17/51/1078111751.db2.gz VJNGQKRFABULIT-PWSUYJOCSA-N 1 1 420.539 2.931 20 0 HFADMO C[C@@H]1C[C@H](NC(=O)c2nc(Br)ccc2Br)C[N@H+]1C1CC1 ZINC000790761873 1078113280 /nfs/dbraw/zinc/11/32/80/1078113280.db2.gz YUEQBTXUAIFQDC-BDAKNGLRSA-N 1 1 403.118 2.962 20 0 HFADMO C[C@@H](COC(=O)c1ccc2cncn2c1)O[C@@H](C)COC(=O)c1ccc2c[nH+]cn2c1 ZINC000793280934 1078126640 /nfs/dbraw/zinc/12/66/40/1078126640.db2.gz YQAAIQWWOQJHRE-HOTGVXAUSA-N 1 1 422.441 2.789 20 0 HFADMO C[C@@H](NC(=O)c1nc(Br)ccc1Br)C1=CC[N@@H+](C)CC1 ZINC000790867563 1078164135 /nfs/dbraw/zinc/16/41/35/1078164135.db2.gz UWRDZQOBTRYZDZ-SECBINFHSA-N 1 1 403.118 2.987 20 0 HFADMO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CC1 ZINC000793445662 1078173569 /nfs/dbraw/zinc/17/35/69/1078173569.db2.gz PXAUNJRSRHYEPL-MRXNPFEDSA-N 1 1 403.523 2.513 20 0 HFADMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)[C@H](C)C1 ZINC000793510759 1078194823 /nfs/dbraw/zinc/19/48/23/1078194823.db2.gz AJIHMMHUVCLOBI-FGTMMUONSA-N 1 1 411.587 2.885 20 0 HFADMO O=C1[C@H](CCc2ccccc2)CCN1C[N@@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000793510349 1078194867 /nfs/dbraw/zinc/19/48/67/1078194867.db2.gz AOYWEZIPWZVIJA-RTWAWAEBSA-N 1 1 418.541 2.958 20 0 HFADMO O=C1[C@H](CCc2ccccc2)CCN1C[N@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000793510349 1078194872 /nfs/dbraw/zinc/19/48/72/1078194872.db2.gz AOYWEZIPWZVIJA-RTWAWAEBSA-N 1 1 418.541 2.958 20 0 HFADMO CCOC(=O)[C@]1(COC)CCC[N@H+](CN2CC[C@H](CCc3ccccc3)C2=O)C1 ZINC000793515495 1078197054 /nfs/dbraw/zinc/19/70/54/1078197054.db2.gz KAYSFHTZOZSIQR-NZQKXSOJSA-N 1 1 402.535 2.717 20 0 HFADMO CCOC(=O)[C@]1(COC)CCC[N@@H+](CN2CC[C@H](CCc3ccccc3)C2=O)C1 ZINC000793515495 1078197056 /nfs/dbraw/zinc/19/70/56/1078197056.db2.gz KAYSFHTZOZSIQR-NZQKXSOJSA-N 1 1 402.535 2.717 20 0 HFADMO O=C(NCC1CC[NH+](CN2CC[C@@H](CCc3ccccc3)C2=O)CC1)C(F)(F)F ZINC000793515433 1078197427 /nfs/dbraw/zinc/19/74/27/1078197427.db2.gz JLUGCRPIACXRBW-GOSISDBHSA-N 1 1 411.468 2.816 20 0 HFADMO Cc1nc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)sc1C ZINC001170434012 1078201550 /nfs/dbraw/zinc/20/15/50/1078201550.db2.gz DBJWGWXNFLWBRR-YOEHRIQHSA-N 1 1 403.552 2.717 20 0 HFADMO Cc1nc(NC(=O)[C@H](C)[N@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)sc1C ZINC001170434012 1078201552 /nfs/dbraw/zinc/20/15/52/1078201552.db2.gz DBJWGWXNFLWBRR-YOEHRIQHSA-N 1 1 403.552 2.717 20 0 HFADMO C[C@]12CCN(CN3C(=O)N[C@]4(CCC[N@@H+](Cc5ccccc5)C4)C3=O)C[C@H]1C2(F)F ZINC000793536313 1078206364 /nfs/dbraw/zinc/20/63/64/1078206364.db2.gz YMTNLILKKVAFRG-QMMLZNLJSA-N 1 1 418.488 2.508 20 0 HFADMO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC001170434347 1078212646 /nfs/dbraw/zinc/21/26/46/1078212646.db2.gz HYEYVECJEZQQTR-RHSMWYFYSA-N 1 1 404.461 2.922 20 0 HFADMO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC001170434347 1078212649 /nfs/dbraw/zinc/21/26/49/1078212649.db2.gz HYEYVECJEZQQTR-RHSMWYFYSA-N 1 1 404.461 2.922 20 0 HFADMO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC001170434348 1078212740 /nfs/dbraw/zinc/21/27/40/1078212740.db2.gz HYEYVECJEZQQTR-WMLDXEAASA-N 1 1 404.461 2.922 20 0 HFADMO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC001170434348 1078212744 /nfs/dbraw/zinc/21/27/44/1078212744.db2.gz HYEYVECJEZQQTR-WMLDXEAASA-N 1 1 404.461 2.922 20 0 HFADMO COC(=O)c1ccc(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)c(Br)c1 ZINC000793586294 1078215270 /nfs/dbraw/zinc/21/52/70/1078215270.db2.gz HUTYETHCKMXVBU-MRXNPFEDSA-N 1 1 408.296 2.904 20 0 HFADMO C[N@@H+](C[C@@H](O)CCNC(=O)OC(C)(C)C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001170435073 1078217061 /nfs/dbraw/zinc/21/70/61/1078217061.db2.gz NJHGZCFNWWVYEQ-HNNXBMFYSA-N 1 1 401.548 2.641 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CN2C(=O)C[C@](C)(c3ccc(C)cc3)C2=O)C1 ZINC000793594487 1078218464 /nfs/dbraw/zinc/21/84/64/1078218464.db2.gz ZPLOKSVNLYUIKN-JWQCQUIFSA-N 1 1 420.509 2.786 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CN2C(=O)C[C@](C)(c3ccc(C)cc3)C2=O)C1 ZINC000793594487 1078218467 /nfs/dbraw/zinc/21/84/67/1078218467.db2.gz ZPLOKSVNLYUIKN-JWQCQUIFSA-N 1 1 420.509 2.786 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CN2C[C@H](c3cccc(OC)c3)CC2=O)C1 ZINC000793597460 1078219847 /nfs/dbraw/zinc/21/98/47/1078219847.db2.gz LKGVBSBLGLTYGQ-NTKDMRAZSA-N 1 1 408.498 2.785 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CN2C[C@H](c3cccc(OC)c3)CC2=O)C1 ZINC000793597460 1078219850 /nfs/dbraw/zinc/21/98/50/1078219850.db2.gz LKGVBSBLGLTYGQ-NTKDMRAZSA-N 1 1 408.498 2.785 20 0 HFADMO O=C([C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1)N1CCOCC1 ZINC000793572759 1078225352 /nfs/dbraw/zinc/22/53/52/1078225352.db2.gz QJAXIHMGGYWJOH-GOSISDBHSA-N 1 1 402.926 2.656 20 0 HFADMO O=C([C@@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1)N1CCOCC1 ZINC000793572759 1078225355 /nfs/dbraw/zinc/22/53/55/1078225355.db2.gz QJAXIHMGGYWJOH-GOSISDBHSA-N 1 1 402.926 2.656 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](Cc3cccc(NS(C)(=O)=O)c3)C2)C1 ZINC000793605885 1078223266 /nfs/dbraw/zinc/22/32/66/1078223266.db2.gz RYEDGLKUTGQFSG-HXUWFJFHSA-N 1 1 409.552 2.891 20 0 HFADMO CCOC(=O)c1ccc(C[NH2+]Cc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)o1 ZINC000793606710 1078223774 /nfs/dbraw/zinc/22/37/74/1078223774.db2.gz MALIIHXYBXVGOE-JOCHJYFZSA-N 1 1 411.458 2.971 20 0 HFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000793570995 1078224525 /nfs/dbraw/zinc/22/45/25/1078224525.db2.gz JJIJZCWSDJABCB-UHFFFAOYSA-N 1 1 417.985 2.961 20 0 HFADMO CCN(CC)C(=O)C[N@H+]1CCCN(Cc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000793570995 1078224527 /nfs/dbraw/zinc/22/45/27/1078224527.db2.gz JJIJZCWSDJABCB-UHFFFAOYSA-N 1 1 417.985 2.961 20 0 HFADMO COC(=O)[C@]1(NC(=O)COC2CCC(C)CC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000793636381 1078235739 /nfs/dbraw/zinc/23/57/39/1078235739.db2.gz QSIUJKGDSDCGAP-PXLSRWGNSA-N 1 1 402.535 2.906 20 0 HFADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCc1ccc([C@@H](C)O)cc1 ZINC000793635946 1078236009 /nfs/dbraw/zinc/23/60/09/1078236009.db2.gz JDFCQCIIYDOGIB-DENIHFKCSA-N 1 1 423.557 2.727 20 0 HFADMO C[C@H](O)c1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000793641261 1078238511 /nfs/dbraw/zinc/23/85/11/1078238511.db2.gz WKZBSYLKTIUFCI-SFYKDHMMSA-N 1 1 423.557 2.868 20 0 HFADMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)C1 ZINC000793641707 1078239103 /nfs/dbraw/zinc/23/91/03/1078239103.db2.gz HRJZKSQFGPEFNR-HNNXBMFYSA-N 1 1 410.584 2.918 20 0 HFADMO C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CCN1C(=O)OC(C)(C)C ZINC000793665541 1078245223 /nfs/dbraw/zinc/24/52/23/1078245223.db2.gz TZRHKBKTPFBEQI-CADBVGFASA-N 1 1 409.571 2.782 20 0 HFADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCc2ccn(-c3ccccc3)n2)C1 ZINC000793668665 1078246540 /nfs/dbraw/zinc/24/65/40/1078246540.db2.gz YXCSMJYQGUHORH-UXHICEINSA-N 1 1 423.561 2.602 20 0 HFADMO CCC[C@H]1CN(C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC[N@H+]1CCOC ZINC000793754251 1078277876 /nfs/dbraw/zinc/27/78/76/1078277876.db2.gz SMWWZWRAQUMGGT-FHWLQOOXSA-N 1 1 411.587 2.981 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC000793694335 1078270444 /nfs/dbraw/zinc/27/04/44/1078270444.db2.gz YITCOBGQMASPKF-APPDUMDISA-N 1 1 405.861 2.867 20 0 HFADMO C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)C1=O ZINC000793742942 1078287952 /nfs/dbraw/zinc/28/79/52/1078287952.db2.gz NJRYVOUGSKXDDJ-VBKZILBWSA-N 1 1 409.889 2.952 20 0 HFADMO C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(C[N@H+]2CCOC[C@@H](C3CCC3)C2)C1=O ZINC000793742942 1078287954 /nfs/dbraw/zinc/28/79/54/1078287954.db2.gz NJRYVOUGSKXDDJ-VBKZILBWSA-N 1 1 409.889 2.952 20 0 HFADMO C[C@@]1(c2ccc(F)cc2Cl)NC(=O)N(C[N@@H+]2CCOC[C@H](C3CCC3)C2)C1=O ZINC000793742945 1078287975 /nfs/dbraw/zinc/28/79/75/1078287975.db2.gz NJRYVOUGSKXDDJ-VLIAUNLRSA-N 1 1 409.889 2.952 20 0 HFADMO C[C@@]1(c2ccc(F)cc2Cl)NC(=O)N(C[N@H+]2CCOC[C@H](C3CCC3)C2)C1=O ZINC000793742945 1078287979 /nfs/dbraw/zinc/28/79/79/1078287979.db2.gz NJRYVOUGSKXDDJ-VLIAUNLRSA-N 1 1 409.889 2.952 20 0 HFADMO C[N@H+]1CC[C@]2(CCN(Cn3nnn(-c4ccc(Br)cc4)c3=S)C2)C1 ZINC000793762622 1078281708 /nfs/dbraw/zinc/28/17/08/1078281708.db2.gz AJKJSILGNUGEHD-INIZCTEOSA-N 1 1 409.357 2.546 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000793808016 1078306238 /nfs/dbraw/zinc/30/62/38/1078306238.db2.gz BQKJLBMBUGIGFP-FQEVSTJZSA-N 1 1 417.513 2.673 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NCCC(C)(C)c1ccccc1 ZINC000793803122 1078303303 /nfs/dbraw/zinc/30/33/03/1078303303.db2.gz BAWHKSIQQGQWBO-UHFFFAOYSA-N 1 1 405.502 2.676 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(Cc1ccccc1C)C1CC1 ZINC000793806248 1078305005 /nfs/dbraw/zinc/30/50/05/1078305005.db2.gz SRKSDHAEKRPZFA-UHFFFAOYSA-N 1 1 403.486 2.692 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)Cc1ccc(F)cc1Cl ZINC000793805648 1078305349 /nfs/dbraw/zinc/30/53/49/1078305349.db2.gz PHCSCRKKDMFHIS-UHFFFAOYSA-N 1 1 415.856 2.643 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000793806693 1078306066 /nfs/dbraw/zinc/30/60/66/1078306066.db2.gz VCTUJNBRYCDMTI-GDBMZVCRSA-N 1 1 423.439 2.677 20 0 HFADMO CSC[C@@H]1CCC[N@H+](CN2C(=O)N[C@](C)(CCc3ccc4c(c3)OCO4)C2=O)C1 ZINC000793796818 1078300984 /nfs/dbraw/zinc/30/09/84/1078300984.db2.gz MZSMQAXQNIOMFN-IIBYNOLFSA-N 1 1 419.547 2.691 20 0 HFADMO CSC[C@@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(CCc3ccc4c(c3)OCO4)C2=O)C1 ZINC000793796818 1078300988 /nfs/dbraw/zinc/30/09/88/1078300988.db2.gz MZSMQAXQNIOMFN-IIBYNOLFSA-N 1 1 419.547 2.691 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000793809634 1078314132 /nfs/dbraw/zinc/31/41/32/1078314132.db2.gz ZXWNZFMEZIUJII-DYESRHJHSA-N 1 1 417.513 2.905 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@@H](c2ccccc2C)C1 ZINC000793810926 1078314641 /nfs/dbraw/zinc/31/46/41/1078314641.db2.gz WANVORIKFKJABH-LJQANCHMSA-N 1 1 403.486 2.516 20 0 HFADMO Cc1ccc([C@@H](C)NC(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)s1 ZINC000793870256 1078328977 /nfs/dbraw/zinc/32/89/77/1078328977.db2.gz WUMSEBSMCBOKMJ-AEFFLSMTSA-N 1 1 417.600 2.968 20 0 HFADMO Cc1ccc([C@@H](C)NC(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)s1 ZINC000793870256 1078328983 /nfs/dbraw/zinc/32/89/83/1078328983.db2.gz WUMSEBSMCBOKMJ-AEFFLSMTSA-N 1 1 417.600 2.968 20 0 HFADMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc3c2CCCN3C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000793876467 1078331728 /nfs/dbraw/zinc/33/17/28/1078331728.db2.gz WVLYWQZSMMXGIL-SJORKVTESA-N 1 1 417.550 2.901 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc3c2CCCN3C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000793876467 1078331733 /nfs/dbraw/zinc/33/17/33/1078331733.db2.gz WVLYWQZSMMXGIL-SJORKVTESA-N 1 1 417.550 2.901 20 0 HFADMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc3c2CCCN3C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000793876462 1078331802 /nfs/dbraw/zinc/33/18/02/1078331802.db2.gz WVLYWQZSMMXGIL-IAGOWNOFSA-N 1 1 417.550 2.901 20 0 HFADMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc3c2CCCN3C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000793876462 1078331807 /nfs/dbraw/zinc/33/18/07/1078331807.db2.gz WVLYWQZSMMXGIL-IAGOWNOFSA-N 1 1 417.550 2.901 20 0 HFADMO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000793932441 1078341693 /nfs/dbraw/zinc/34/16/93/1078341693.db2.gz UANZSGKKTGMLAK-VJBMBRPKSA-N 1 1 423.557 2.829 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@H]2C[C@H](C(=O)NCc3ccco3)[C@@H](C1)O2 ZINC001170439864 1078340545 /nfs/dbraw/zinc/34/05/45/1078340545.db2.gz BKXLQRHSFPIMQY-NSAZKJPHSA-N 1 1 412.486 2.735 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000793886423 1078342977 /nfs/dbraw/zinc/34/29/77/1078342977.db2.gz VXDZZYCGQDNLGA-MRXNPFEDSA-N 1 1 416.526 2.742 20 0 HFADMO CN(C(=O)C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000793952605 1078345742 /nfs/dbraw/zinc/34/57/42/1078345742.db2.gz SQZZUMDBFGKBRS-JBACZVJFSA-N 1 1 420.642 2.582 20 0 HFADMO CN(C(=O)C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000793952605 1078345745 /nfs/dbraw/zinc/34/57/45/1078345745.db2.gz SQZZUMDBFGKBRS-JBACZVJFSA-N 1 1 420.642 2.582 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1Cc2ccnn2C[C@@H](C(=O)NCC2CC2)C1 ZINC001170440518 1078350557 /nfs/dbraw/zinc/35/05/57/1078350557.db2.gz DCZRISBGEWWAKB-RBUKOAKNSA-N 1 1 410.518 2.591 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1Cc2ccnn2C[C@@H](C(=O)NCC2CC2)C1 ZINC001170440518 1078350563 /nfs/dbraw/zinc/35/05/63/1078350563.db2.gz DCZRISBGEWWAKB-RBUKOAKNSA-N 1 1 410.518 2.591 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2OCC[NH+](C)C)c(C)cc1F ZINC000794018889 1078362226 /nfs/dbraw/zinc/36/22/26/1078362226.db2.gz KLSVTSNNVDHMRF-UHFFFAOYSA-N 1 1 424.494 2.970 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC001170442404 1078367807 /nfs/dbraw/zinc/36/78/07/1078367807.db2.gz MFVUBTQVYYMUAH-JPYJTQIMSA-N 1 1 424.497 2.721 20 0 HFADMO CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)c1=O ZINC000794232669 1078389359 /nfs/dbraw/zinc/38/93/59/1078389359.db2.gz JZURAHIEJAREOC-UHFFFAOYSA-N 1 1 414.893 2.537 20 0 HFADMO C[NH+]1CCN(c2ccc(NC(=O)c3cc(Cn4cccn4)on3)cc2Cl)CC1 ZINC000794258608 1078393366 /nfs/dbraw/zinc/39/33/66/1078393366.db2.gz UAUJLNMZWJWCEY-UHFFFAOYSA-N 1 1 400.870 2.577 20 0 HFADMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)N(CC)CC)c1 ZINC000794218708 1078395201 /nfs/dbraw/zinc/39/52/01/1078395201.db2.gz ZVZDQVNJXDWQOR-OAHLLOKOSA-N 1 1 401.548 2.706 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H]2COC[C@@H](CC(=O)NC(C)C)[C@@H]2C1 ZINC001170444960 1078398035 /nfs/dbraw/zinc/39/80/35/1078398035.db2.gz UTMXETMYSJJXCI-ZRNYENFQSA-N 1 1 402.535 2.846 20 0 HFADMO C[C@@H](C(=O)N[C@H](CCCNC(=O)OC(C)(C)C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000794276024 1078398480 /nfs/dbraw/zinc/39/84/80/1078398480.db2.gz SPMWVEPKZWQTCL-AZUAARDMSA-N 1 1 418.582 2.785 20 0 HFADMO Cc1cnc([C@H](C)[N@H+]2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1 ZINC000794293327 1078402816 /nfs/dbraw/zinc/40/28/16/1078402816.db2.gz MKULXOVWVYDHJU-ROUUACIJSA-N 1 1 417.554 2.637 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H](OCC2CCOCC2)[C@H]2COC[C@H]21 ZINC001170445177 1078403587 /nfs/dbraw/zinc/40/35/87/1078403587.db2.gz WCVHMPMRRXOXHE-XFGYDDDFSA-N 1 1 403.519 2.879 20 0 HFADMO CC(C)[N@H+]1CCCN([C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1 ZINC000794348905 1078421801 /nfs/dbraw/zinc/42/18/01/1078421801.db2.gz YSVKPOQFGYFVEH-SFHVURJKSA-N 1 1 412.534 2.953 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000794404162 1078436377 /nfs/dbraw/zinc/43/63/77/1078436377.db2.gz IHANBZBWQDARBQ-RBUKOAKNSA-N 1 1 420.554 2.938 20 0 HFADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC001129395213 1078437533 /nfs/dbraw/zinc/43/75/33/1078437533.db2.gz MUQHDFWPOIGYFE-NVXWUHKLSA-N 1 1 401.457 2.954 20 0 HFADMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3cc(Br)cnc3Br)C2)C1 ZINC001129404996 1078455314 /nfs/dbraw/zinc/45/53/14/1078455314.db2.gz QQQDGEWEIZJCDP-CQSZACIVSA-N 1 1 403.118 2.774 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000804420304 1078469379 /nfs/dbraw/zinc/46/93/79/1078469379.db2.gz GSBDNXGQVNXNSK-UKRRQHHQSA-N 1 1 401.429 2.753 20 0 HFADMO CC(=O)c1ccc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(S(N)(=O)=O)c1 ZINC000804425980 1078472646 /nfs/dbraw/zinc/47/26/46/1078472646.db2.gz YASYGGWSUCVUKO-UHFFFAOYSA-N 1 1 415.559 2.885 20 0 HFADMO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC001129772316 1078482368 /nfs/dbraw/zinc/48/23/68/1078482368.db2.gz FFKKRKJHZJBDLM-CYBMUJFWSA-N 1 1 404.477 2.735 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC001170449908 1078487342 /nfs/dbraw/zinc/48/73/42/1078487342.db2.gz PNJKOYCLJKROIJ-SLFFLAALSA-N 1 1 406.482 2.853 20 0 HFADMO Cc1cccc(CS(=O)(=O)CCC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC001129507146 1078500115 /nfs/dbraw/zinc/50/01/15/1078500115.db2.gz LBDHFGFKJDMIDK-LJQANCHMSA-N 1 1 402.560 2.937 20 0 HFADMO Cc1cccc(CS(=O)(=O)CCC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)c1 ZINC001129507146 1078500118 /nfs/dbraw/zinc/50/01/18/1078500118.db2.gz LBDHFGFKJDMIDK-LJQANCHMSA-N 1 1 402.560 2.937 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cnc2cc(C)nn2c1C ZINC001129813820 1078511815 /nfs/dbraw/zinc/51/18/15/1078511815.db2.gz VWFFESXLVZREFK-TZIWHRDSSA-N 1 1 407.518 2.613 20 0 HFADMO CN1CCc2cc(C(=O)N3CCN([C@H]4CC[N@@H+](Cc5ccccc5)C4)CC3)ccc21 ZINC000804447114 1078512782 /nfs/dbraw/zinc/51/27/82/1078512782.db2.gz WYXIICYXZLIXNC-QHCPKHFHSA-N 1 1 404.558 2.711 20 0 HFADMO CN1CCc2cc(C(=O)N3CCN([C@@H]4CC[N@@H+](Cc5ccccc5)C4)CC3)ccc21 ZINC000804447113 1078512823 /nfs/dbraw/zinc/51/28/23/1078512823.db2.gz WYXIICYXZLIXNC-HSZRJFAPSA-N 1 1 404.558 2.711 20 0 HFADMO Cc1nc(C(C)C)[nH]c(=O)c1C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804447347 1078513713 /nfs/dbraw/zinc/51/37/13/1078513713.db2.gz CUJBMVRTIYLAIP-HXUWFJFHSA-N 1 1 423.561 2.646 20 0 HFADMO O=C(NC1CC[NH+](Cc2cccc(Br)c2)CC1)c1cnn2cccnc12 ZINC001129823236 1078518392 /nfs/dbraw/zinc/51/83/92/1078518392.db2.gz HRTQAAITBQYFFZ-UHFFFAOYSA-N 1 1 414.307 2.886 20 0 HFADMO CC(=O)c1ccc(NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(S(N)(=O)=O)c1 ZINC000804684208 1078524590 /nfs/dbraw/zinc/52/45/90/1078524590.db2.gz WGTPAXCZODBNKW-NRFANRHFSA-N 1 1 401.532 2.861 20 0 HFADMO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(I)c1O ZINC000804525381 1078563434 /nfs/dbraw/zinc/56/34/34/1078563434.db2.gz ARKGGZUFDAZQCC-NWDGAFQWSA-N 1 1 400.260 2.696 20 0 HFADMO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000804524018 1078563481 /nfs/dbraw/zinc/56/34/81/1078563481.db2.gz HJRCYPAADCRIRB-IKGGRYGDSA-N 1 1 417.554 2.833 20 0 HFADMO Cc1ccccc1[C@@H](O)C1CCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC000804519176 1078559378 /nfs/dbraw/zinc/55/93/78/1078559378.db2.gz OOXVTWSMSUUQNO-FQEVSTJZSA-N 1 1 407.518 2.929 20 0 HFADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nc3cc(Cl)ccn3n2)[C@@H](c2cnn(C)c2)C1 ZINC001129566464 1078560354 /nfs/dbraw/zinc/56/03/54/1078560354.db2.gz GUTFJTDFSGRVQE-JKSUJKDBSA-N 1 1 401.902 2.569 20 0 HFADMO O=C(CCNC(=O)OCC(F)(F)F)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804533289 1078570067 /nfs/dbraw/zinc/57/00/67/1078570067.db2.gz BRMAOXGEZYUXCK-LJQANCHMSA-N 1 1 413.440 2.790 20 0 HFADMO CN(C[C@H]1CCC[N@H+]1C)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001129904195 1078576566 /nfs/dbraw/zinc/57/65/66/1078576566.db2.gz FIAQMARHYYDUCP-HXUWFJFHSA-N 1 1 418.582 2.566 20 0 HFADMO Cn1ncc(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1Br ZINC000804534267 1078570796 /nfs/dbraw/zinc/57/07/96/1078570796.db2.gz FUFPUMHLICQDMO-IBGZPJMESA-N 1 1 403.324 2.921 20 0 HFADMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@]1(c2ccccc2)CNC(=O)C1 ZINC001129599592 1078573862 /nfs/dbraw/zinc/57/38/62/1078573862.db2.gz NRFKBWHOCQIWLU-BWKNWUBXSA-N 1 1 405.542 2.863 20 0 HFADMO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(C)C[C@H]3CCC[N@H+]3C)cc2)C1 ZINC001129906030 1078577995 /nfs/dbraw/zinc/57/79/95/1078577995.db2.gz VFBMMLPCCQCJTC-ZIFCJYIRSA-N 1 1 407.580 2.519 20 0 HFADMO Cc1cc(N2C[C@@H](C(=O)N(C)C[C@@H]3CCC[N@H+]3C)CC2=O)ccc1Br ZINC001129906041 1078578439 /nfs/dbraw/zinc/57/84/39/1078578439.db2.gz VJUOMIODOIVAGC-HOCLYGCPSA-N 1 1 408.340 2.663 20 0 HFADMO O=C(CC1(CSc2ccccc2)CC1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001129668956 1078628501 /nfs/dbraw/zinc/62/85/01/1078628501.db2.gz BLVQLWGRWBQMPD-UHFFFAOYSA-N 1 1 404.576 2.947 20 0 HFADMO O=C(NCC1([NH+]2CCOCC2)CCOCC1)C1(c2ccc(F)cc2F)CCCC1 ZINC001129669209 1078628530 /nfs/dbraw/zinc/62/85/30/1078628530.db2.gz HCUOMVKILXSACW-UHFFFAOYSA-N 1 1 408.489 2.774 20 0 HFADMO CC(C)(C)n1ncc2c1ncnc2N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804807092 1078636950 /nfs/dbraw/zinc/63/69/50/1078636950.db2.gz ATRWXGGYBWPXBF-FQEVSTJZSA-N 1 1 419.577 2.978 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000804828791 1078667173 /nfs/dbraw/zinc/66/71/73/1078667173.db2.gz ANCDTOSPDUIQBK-DENIHFKCSA-N 1 1 422.573 2.786 20 0 HFADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000804870243 1078693345 /nfs/dbraw/zinc/69/33/45/1078693345.db2.gz VDYXUJCDIOQFGE-OAHLLOKOSA-N 1 1 405.417 2.723 20 0 HFADMO C[C@H]1C[C@H](NC(=O)C(=O)NCCc2ccc(Cl)nc2)CC[N@H+]1Cc1ccccc1 ZINC000804643904 1078698793 /nfs/dbraw/zinc/69/87/93/1078698793.db2.gz SPRNFSJDDCTOJL-QFBILLFUSA-N 1 1 414.937 2.563 20 0 HFADMO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000804643933 1078698852 /nfs/dbraw/zinc/69/88/52/1078698852.db2.gz UASUUXQWIHFKJS-GHTZIAJQSA-N 1 1 411.521 2.996 20 0 HFADMO CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000747221484 1078721394 /nfs/dbraw/zinc/72/13/94/1078721394.db2.gz FPMKZICUOBVDKA-NVXWUHKLSA-N 1 1 403.527 2.614 20 0 HFADMO CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000747221484 1078721401 /nfs/dbraw/zinc/72/14/01/1078721401.db2.gz FPMKZICUOBVDKA-NVXWUHKLSA-N 1 1 403.527 2.614 20 0 HFADMO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)C1 ZINC000804906505 1078728981 /nfs/dbraw/zinc/72/89/81/1078728981.db2.gz KQICKLPBSONRFT-YVEFUNNKSA-N 1 1 419.469 2.632 20 0 HFADMO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)C1 ZINC000804906505 1078728987 /nfs/dbraw/zinc/72/89/87/1078728987.db2.gz KQICKLPBSONRFT-YVEFUNNKSA-N 1 1 419.469 2.632 20 0 HFADMO Cc1nc(C[NH+]2CCC(CNC(=O)c3c(C)nc(C(C)C)[nH]c3=O)CC2)oc1C ZINC000747223427 1078761852 /nfs/dbraw/zinc/76/18/52/1078761852.db2.gz FYNMVBJMXYLJDU-UHFFFAOYSA-N 1 1 401.511 2.861 20 0 HFADMO COCCOCCOCCOCCNc1cc[nH+]c2ccc(Br)cc12 ZINC001170473403 1078792845 /nfs/dbraw/zinc/79/28/45/1078792845.db2.gz GMJCYNMMPNOJDM-UHFFFAOYSA-N 1 1 413.312 2.527 20 0 HFADMO CCOC(=O)c1cc(S(=O)(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)ccc1F ZINC000805121193 1078920232 /nfs/dbraw/zinc/92/02/32/1078920232.db2.gz NKIGRMQJVDQLAM-SFHVURJKSA-N 1 1 412.458 2.723 20 0 HFADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)NCc2cccc(NC(=O)OC)c2)[C@@H](C)C1 ZINC000805124516 1078923060 /nfs/dbraw/zinc/92/30/60/1078923060.db2.gz OTISDUVQQUIHQK-QFBILLFUSA-N 1 1 406.527 2.801 20 0 HFADMO CC(C)Oc1ccc([C@H](CNS(=O)(=O)c2cn3c(n2)CCCC3)[NH+](C)C)cc1 ZINC000805135040 1078931566 /nfs/dbraw/zinc/93/15/66/1078931566.db2.gz NRONFKBNWRANMP-SFHVURJKSA-N 1 1 406.552 2.588 20 0 HFADMO Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000805135829 1078932276 /nfs/dbraw/zinc/93/22/76/1078932276.db2.gz YPTQVACYRQMXGD-INIZCTEOSA-N 1 1 414.959 2.750 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(C(=O)N[C@H]1CC[N@@H+](CC3CC3)C1)C2 ZINC000805136785 1078933654 /nfs/dbraw/zinc/93/36/54/1078933654.db2.gz JCOCNIDXRVUJIA-PGRDOPGGSA-N 1 1 406.571 2.903 20 0 HFADMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cnn(-c2ccccc2)c1I ZINC001130098137 1078948465 /nfs/dbraw/zinc/94/84/65/1078948465.db2.gz LCMOSVPGFLKXSK-CQSZACIVSA-N 1 1 424.286 2.643 20 0 HFADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCC([C@H](O)c3ccccc3C)CC2)CC1 ZINC000805180532 1078964954 /nfs/dbraw/zinc/96/49/54/1078964954.db2.gz KUIRLNKUINSJTO-CVDCTZTESA-N 1 1 416.610 2.724 20 0 HFADMO Cc1noc(C)c1CCCNC(=O)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000805199144 1078971394 /nfs/dbraw/zinc/97/13/94/1078971394.db2.gz XIMDYDHHLAJRFG-HSZRJFAPSA-N 1 1 412.534 2.511 20 0 HFADMO CC(C)(O)c1ccc(CNC(=O)C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000805197336 1078971414 /nfs/dbraw/zinc/97/14/14/1078971414.db2.gz CISHWHARGGJYCJ-VWLOTQADSA-N 1 1 423.557 2.701 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000747234286 1078990185 /nfs/dbraw/zinc/99/01/85/1078990185.db2.gz NZPLMMUTFDAMBX-HZPDHXFCSA-N 1 1 400.500 2.779 20 0 HFADMO COC(=O)N1CCC(CNC(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000805296007 1078992982 /nfs/dbraw/zinc/99/29/82/1078992982.db2.gz SVHWQPZOLQFWOQ-HXUWFJFHSA-N 1 1 404.555 2.921 20 0 HFADMO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000805282439 1079008764 /nfs/dbraw/zinc/00/87/64/1079008764.db2.gz NZMSAUBQUSQKJT-WOJBJXKFSA-N 1 1 402.539 2.763 20 0 HFADMO CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)C1 ZINC000805312754 1079032893 /nfs/dbraw/zinc/03/28/93/1079032893.db2.gz WHJDZPFCIVITMW-QZTJIDSGSA-N 1 1 408.543 3.000 20 0 HFADMO CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)C1 ZINC000805312756 1079033069 /nfs/dbraw/zinc/03/30/69/1079033069.db2.gz WHJDZPFCIVITMW-ZWKOTPCHSA-N 1 1 408.543 3.000 20 0 HFADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2ccccc2SCc2cc(C)no2)CC1 ZINC000805529630 1079122203 /nfs/dbraw/zinc/12/22/03/1079122203.db2.gz DPNAIRXZFZIDSD-MRXNPFEDSA-N 1 1 417.531 2.985 20 0 HFADMO COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000747251935 1079127874 /nfs/dbraw/zinc/12/78/74/1079127874.db2.gz BADIYDBSIJENJQ-VHNWJRSRSA-N 1 1 402.516 2.762 20 0 HFADMO COC(=O)C(C)(C)C(=O)[C@H](C)OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000805572045 1079143519 /nfs/dbraw/zinc/14/35/19/1079143519.db2.gz VXTYITFWNCWZAD-GOEBONIOSA-N 1 1 411.445 2.844 20 0 HFADMO COC(=O)C(C)(C)C(=O)[C@H](C)OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000805572045 1079143522 /nfs/dbraw/zinc/14/35/22/1079143522.db2.gz VXTYITFWNCWZAD-GOEBONIOSA-N 1 1 411.445 2.844 20 0 HFADMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(/C=C/C(=O)OC)cc1)c1ccco1 ZINC000747253779 1079151818 /nfs/dbraw/zinc/15/18/18/1079151818.db2.gz NJQICKSHPRTMIZ-HGZMWJMZSA-N 1 1 406.504 2.827 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)ccc1F ZINC000747253484 1079153983 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MTUQTOGQYFITCI-HYVNUMGLSA-N 1 1 405.926 2.835 20 0 HFADMO CSCC[C@H](C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1C(=O)c2ccccc2C1=O ZINC001130301503 1079193863 /nfs/dbraw/zinc/19/38/63/1079193863.db2.gz POYXBPAJVWOLIC-CEXWTWQISA-N 1 1 415.559 2.537 20 0 HFADMO C[C@H]1CC[N@H+](CCC(=O)N2CCc3sccc3C2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805786085 1079253120 /nfs/dbraw/zinc/25/31/20/1079253120.db2.gz SPUXWZWATQNWCK-DCGLDWPTSA-N 1 1 417.497 2.800 20 0 HFADMO C[C@H]1CC[N@@H+](CCC(=O)N2CCc3sccc3C2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805786085 1079253124 /nfs/dbraw/zinc/25/31/24/1079253124.db2.gz SPUXWZWATQNWCK-DCGLDWPTSA-N 1 1 417.497 2.800 20 0 HFADMO CCOC(=O)N1CCC(NC(=O)C[N@@H+](C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000805793410 1079258362 /nfs/dbraw/zinc/25/83/62/1079258362.db2.gz YSUBZTKGJFNZLP-UXHICEINSA-N 1 1 417.550 2.901 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@@H+]([C@H]1CCN(CC(F)(F)F)C1=O)C2 ZINC000805794380 1079258766 /nfs/dbraw/zinc/25/87/66/1079258766.db2.gz SSOXMAGJPIECFR-KBXCAEBGSA-N 1 1 405.461 2.873 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+]([C@H]1CCN(CC(F)(F)F)C1=O)C2 ZINC000805794380 1079258770 /nfs/dbraw/zinc/25/87/70/1079258770.db2.gz SSOXMAGJPIECFR-KBXCAEBGSA-N 1 1 405.461 2.873 20 0 HFADMO COC(=O)N1CCC(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000805832358 1079272004 /nfs/dbraw/zinc/27/20/04/1079272004.db2.gz WACBOKHVOPSNOO-AEFFLSMTSA-N 1 1 408.568 2.909 20 0 HFADMO C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC001130393003 1079273752 /nfs/dbraw/zinc/27/37/52/1079273752.db2.gz DICQHXJZOFVJIZ-MHECFPHRSA-N 1 1 407.514 2.971 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000805765671 1079266095 /nfs/dbraw/zinc/26/60/95/1079266095.db2.gz OBYXJONASRLXGY-OTWHNJEPSA-N 1 1 409.571 2.926 20 0 HFADMO COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)cc1OC ZINC000805801531 1079280398 /nfs/dbraw/zinc/28/03/98/1079280398.db2.gz LMDWDYNOPKJRRF-RDJZCZTQSA-N 1 1 421.538 2.650 20 0 HFADMO COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)cc1OC ZINC000805801531 1079280404 /nfs/dbraw/zinc/28/04/04/1079280404.db2.gz LMDWDYNOPKJRRF-RDJZCZTQSA-N 1 1 421.538 2.650 20 0 HFADMO O=C(NC1CCCCC1)OC[C@H]1CCCC[N@@H+]1[C@H]1CCN(C2CCOCC2)C1=O ZINC000805826668 1079295604 /nfs/dbraw/zinc/29/56/04/1079295604.db2.gz GOUQPYIJFPRLOW-UXHICEINSA-N 1 1 407.555 2.680 20 0 HFADMO O=C(NC1CCCCC1)OC[C@H]1CCCC[N@H+]1[C@H]1CCN(C2CCOCC2)C1=O ZINC000805826668 1079295608 /nfs/dbraw/zinc/29/56/08/1079295608.db2.gz GOUQPYIJFPRLOW-UXHICEINSA-N 1 1 407.555 2.680 20 0 HFADMO Ic1cccc(C[C@@H]2CC[N@@H+](C[C@@H]3C[C@@H]4COC[C@H]4O3)C2)c1 ZINC001170489531 1079293299 /nfs/dbraw/zinc/29/32/99/1079293299.db2.gz FVUFEZHDENDPFV-CIRFHOKZSA-N 1 1 413.299 2.960 20 0 HFADMO Ic1cccc(C[C@@H]2CC[N@@H+](C[C@@H]3C[C@@H]4COC[C@@H]4O3)C2)c1 ZINC001170489533 1079293374 /nfs/dbraw/zinc/29/33/74/1079293374.db2.gz FVUFEZHDENDPFV-MVJTYMMSSA-N 1 1 413.299 2.960 20 0 HFADMO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)NCCc1cccc(Cl)c1Cl ZINC000805826877 1079297120 /nfs/dbraw/zinc/29/71/20/1079297120.db2.gz BDCQZAYCOWJUFH-AWEZNQCLSA-N 1 1 402.322 2.863 20 0 HFADMO CNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)NCCc1cccc(Cl)c1Cl ZINC000805826877 1079297126 /nfs/dbraw/zinc/29/71/26/1079297126.db2.gz BDCQZAYCOWJUFH-AWEZNQCLSA-N 1 1 402.322 2.863 20 0 HFADMO O=C(C[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1)N1CCOC[C@@H]1C1CC1 ZINC000805828916 1079298777 /nfs/dbraw/zinc/29/87/77/1079298777.db2.gz DAWHTONGQYHLJW-WOJBJXKFSA-N 1 1 407.555 2.537 20 0 HFADMO O=C(C[N@@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1)N1CCOC[C@@H]1C1CC1 ZINC000805828916 1079298781 /nfs/dbraw/zinc/29/87/81/1079298781.db2.gz DAWHTONGQYHLJW-WOJBJXKFSA-N 1 1 407.555 2.537 20 0 HFADMO CC[C@@H]1CC([NH+]2CCN(S(C)(=O)=O)CC2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170491008 1079302122 /nfs/dbraw/zinc/30/21/22/1079302122.db2.gz HYGNQPYXXFGKTE-HZPDHXFCSA-N 1 1 403.589 2.520 20 0 HFADMO C[C@@H](CN1CCOCC1)[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001170490497 1079317644 /nfs/dbraw/zinc/31/76/44/1079317644.db2.gz MWXWOIWDYFCEDS-RDJZCZTQSA-N 1 1 414.331 2.876 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(Cl)cc1Cl ZINC000747276186 1079340036 /nfs/dbraw/zinc/34/00/36/1079340036.db2.gz DIRVGTBQEUQRGC-QWRGUYRKSA-N 1 1 409.335 2.883 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)ccc1F ZINC000747284424 1079360009 /nfs/dbraw/zinc/36/00/09/1079360009.db2.gz RYTVNSDUQULUFT-INIZCTEOSA-N 1 1 420.506 2.897 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)ccc1F ZINC000747284424 1079360011 /nfs/dbraw/zinc/36/00/11/1079360011.db2.gz RYTVNSDUQULUFT-INIZCTEOSA-N 1 1 420.506 2.897 20 0 HFADMO COC(=O)c1cc2[nH]cnc2c(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)c1 ZINC001170492810 1079361118 /nfs/dbraw/zinc/36/11/18/1079361118.db2.gz DCQUXBVEVMHTIT-QQFBHYJXSA-N 1 1 421.501 2.721 20 0 HFADMO C[C@@H]1CN(C(=O)CCCS(=O)(=O)N2CCCC2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001130458274 1079381791 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ZINC000772846214 1079432803 /nfs/dbraw/zinc/43/28/03/1079432803.db2.gz NSNHIHWBXNLGBK-UHFFFAOYSA-N 1 1 405.539 2.881 20 0 HFADMO COC(=O)[C@@H]1CN(C(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)C[C@H]1C1CC1 ZINC001130526741 1079435688 /nfs/dbraw/zinc/43/56/88/1079435688.db2.gz LRLZAKLAFYTJBJ-SNHGZMDHSA-N 1 1 400.519 2.567 20 0 HFADMO Cc1ccc(C(=O)NCCC[N@H+](C)CC(C)C)cc1S(=O)(=O)NC1CCCC1 ZINC001130523692 1079459120 /nfs/dbraw/zinc/45/91/20/1079459120.db2.gz JBYOOWCUSRBJHF-UHFFFAOYSA-N 1 1 409.596 2.924 20 0 HFADMO C[N@@H+]1CCN(C(=O)COc2ccc(N3CCCC3=O)cc2)[C@@H](Cc2ccccc2)C1 ZINC001130550255 1079486942 /nfs/dbraw/zinc/48/69/42/1079486942.db2.gz MZQRTOSPIVRPNC-NRFANRHFSA-N 1 1 407.514 2.578 20 0 HFADMO C[N@H+]1CCN(C(=O)COc2ccc(N3CCCC3=O)cc2)[C@@H](Cc2ccccc2)C1 ZINC001130550255 1079486945 /nfs/dbraw/zinc/48/69/45/1079486945.db2.gz MZQRTOSPIVRPNC-NRFANRHFSA-N 1 1 407.514 2.578 20 0 HFADMO C[C@H]1C[C@@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CCN1C(=O)OC(C)(C)C ZINC000787335843 1076746626 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/nfs/dbraw/zinc/74/85/73/1076748573.db2.gz ZYODKCHGPKNUDT-FKKSXTGDSA-N 1 1 416.587 2.870 20 0 HFADMO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000787300968 1076748583 /nfs/dbraw/zinc/74/85/83/1076748583.db2.gz ZYODKCHGPKNUDT-FKKSXTGDSA-N 1 1 416.587 2.870 20 0 HFADMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000746676226 1076750876 /nfs/dbraw/zinc/75/08/76/1076750876.db2.gz IGSXRFKQLVVJAJ-PGRDOPGGSA-N 1 1 402.560 2.720 20 0 HFADMO Cc1cccnc1C(F)(F)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000787319367 1076762656 /nfs/dbraw/zinc/76/26/56/1076762656.db2.gz QWPDMZYOFMSMNS-UHFFFAOYSA-N 1 1 402.489 2.758 20 0 HFADMO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000787323198 1076766816 /nfs/dbraw/zinc/76/68/16/1076766816.db2.gz ARYNJTNROFFFOW-ZIFCJYIRSA-N 1 1 424.586 2.527 20 0 HFADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787370710 1076777641 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/nfs/dbraw/zinc/83/89/56/1076838956.db2.gz LJOBQPNTAQJFST-IBGZPJMESA-N 1 1 403.486 2.516 20 0 HFADMO CN(C(=O)[C@@H]1CCCN1C1CC1)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000787481001 1076839471 /nfs/dbraw/zinc/83/94/71/1076839471.db2.gz PCDZGVDVPSWTPW-YADHBBJMSA-N 1 1 410.562 2.519 20 0 HFADMO CN(C(=O)[C@@H]1CCCN1C1CC1)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1 ZINC000787481001 1076839478 /nfs/dbraw/zinc/83/94/78/1076839478.db2.gz PCDZGVDVPSWTPW-YADHBBJMSA-N 1 1 410.562 2.519 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H](C)CSc2ccc(C)cc2)cn1 ZINC000787483937 1076841896 /nfs/dbraw/zinc/84/18/96/1076841896.db2.gz BPYWLIFWLGXLGN-MRXNPFEDSA-N 1 1 423.542 2.797 20 0 HFADMO COc1ccccc1[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000787485173 1076842570 /nfs/dbraw/zinc/84/25/70/1076842570.db2.gz MXBLIIVONPOTSB-IBGZPJMESA-N 1 1 419.485 2.564 20 0 HFADMO CCC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000787484685 1076842735 /nfs/dbraw/zinc/84/27/35/1076842735.db2.gz LDRXKVFBQODADO-FQEVSTJZSA-N 1 1 405.502 2.720 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2c2ccc(C)cc2)cn1 ZINC000787487012 1076844006 /nfs/dbraw/zinc/84/40/06/1076844006.db2.gz AQHOLAAXSRKJRG-HXUWFJFHSA-N 1 1 403.486 2.864 20 0 HFADMO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000746689644 1076859334 /nfs/dbraw/zinc/85/93/34/1076859334.db2.gz OQVRUPFUPMJQIY-IRXDYDNUSA-N 1 1 414.575 2.798 20 0 HFADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000746689644 1076859340 /nfs/dbraw/zinc/85/93/40/1076859340.db2.gz OQVRUPFUPMJQIY-IRXDYDNUSA-N 1 1 414.575 2.798 20 0 HFADMO CN1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)cc2Br)CC1 ZINC000787577584 1076870608 /nfs/dbraw/zinc/87/06/08/1076870608.db2.gz XJYXLZOCVQIYGL-SFHVURJKSA-N 1 1 407.356 2.766 20 0 HFADMO CC[C@@H](CNC(=O)C(=O)N(C)CCc1ccccc1F)[N@H+]1CCc2ccccc2C1 ZINC000787631217 1076883864 /nfs/dbraw/zinc/88/38/64/1076883864.db2.gz IYGITOZJORTJMD-NRFANRHFSA-N 1 1 411.521 2.780 20 0 HFADMO CC[C@H](CNC(=O)C(=O)NCc1cc(C)cc(Cl)n1)[N@H+]1CCc2ccccc2C1 ZINC000787631631 1076884634 /nfs/dbraw/zinc/88/46/34/1076884634.db2.gz LUDVQVDPWHCCDN-LJQANCHMSA-N 1 1 414.937 2.613 20 0 HFADMO C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3C(=O)/C=C\c3ccc(Cl)cc3)C[C@H]2C1 ZINC000787633414 1076885025 /nfs/dbraw/zinc/88/50/25/1076885025.db2.gz JGTFOFSFRMJPPF-RSOFREPLSA-N 1 1 401.938 2.754 20 0 HFADMO COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H](C)Cc1ccco1)[NH+]1CCCCC1 ZINC000787599597 1076887530 /nfs/dbraw/zinc/88/75/30/1076887530.db2.gz UIKJVWPZGQSDHY-XLIONFOSSA-N 1 1 413.518 2.679 20 0 HFADMO CC(C)c1ccc(N2CC[C@@H](C(=O)N3CC[N@H+](C4CCOCC4)C[C@@H]3C)C2=O)cc1 ZINC000787673346 1076906614 /nfs/dbraw/zinc/90/66/14/1076906614.db2.gz QLBAUVDYJNNPLY-AVRDEDQJSA-N 1 1 413.562 2.875 20 0 HFADMO CN(Cc1ccn(-c2ccccc2)n1)C(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000787685898 1076910941 /nfs/dbraw/zinc/91/09/41/1076910941.db2.gz CWPAMCWYTBIYCZ-UHFFFAOYSA-N 1 1 411.550 2.602 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000787687085 1076911524 /nfs/dbraw/zinc/91/15/24/1076911524.db2.gz VFUBGUGWCATGJZ-VGOFRKELSA-N 1 1 409.571 2.735 20 0 HFADMO C[N@@H+](CCCNC(=O)C(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1)C1CCCCC1 ZINC000787686781 1076911884 /nfs/dbraw/zinc/91/18/84/1076911884.db2.gz GOXLABJCPVUPCI-MOPGFXCFSA-N 1 1 421.607 2.933 20 0 HFADMO Cc1ccccc1CN1CC[NH+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1 ZINC000787690630 1076913868 /nfs/dbraw/zinc/91/38/68/1076913868.db2.gz YKDZEVOVPGDIFX-REWPJTCUSA-N 1 1 403.567 2.873 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([N@@H+]2CCO[C@]3(CCc4ccccc43)C2)C1 ZINC000787732122 1076934312 /nfs/dbraw/zinc/93/43/12/1076934312.db2.gz VAQSKGUIPGLIQG-AJSBUHFISA-N 1 1 402.535 2.921 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([N@H+]2CCO[C@]3(CCc4ccccc43)C2)C1 ZINC000787732122 1076934315 /nfs/dbraw/zinc/93/43/15/1076934315.db2.gz VAQSKGUIPGLIQG-AJSBUHFISA-N 1 1 402.535 2.921 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)C1 ZINC000787772136 1076942182 /nfs/dbraw/zinc/94/21/82/1076942182.db2.gz YGBLVKUERDCXOJ-AVRDEDQJSA-N 1 1 409.571 2.737 20 0 HFADMO O=C(CCCc1ccc(O)c(F)c1)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000787842560 1076960752 /nfs/dbraw/zinc/96/07/52/1076960752.db2.gz GTOJDZKQAFIWIQ-UHFFFAOYSA-N 1 1 414.477 2.742 20 0 HFADMO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787877828 1076973756 /nfs/dbraw/zinc/97/37/56/1076973756.db2.gz DIBVBBUUXOPEES-CVEARBPZSA-N 1 1 405.543 2.737 20 0 HFADMO CCc1ccc(N2CCN(C(=O)C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000787904196 1076988666 /nfs/dbraw/zinc/98/86/66/1076988666.db2.gz PSBXNOZHDBZVTD-FQEVSTJZSA-N 1 1 414.594 2.668 20 0 HFADMO C[C@H](Cc1ccco1)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000787950039 1077006287 /nfs/dbraw/zinc/00/62/87/1077006287.db2.gz DTBKCYPUDHLPKG-CBQOVEMMSA-N 1 1 409.530 2.840 20 0 HFADMO C[C@H]1CN(C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C(C)(C)C1 ZINC000746720697 1077008995 /nfs/dbraw/zinc/00/89/95/1077008995.db2.gz BBTCRJSOYOCPHQ-QGZVFWFLSA-N 1 1 401.555 2.549 20 0 HFADMO C[C@@H](Cc1ccco1)NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000787962451 1077010304 /nfs/dbraw/zinc/01/03/04/1077010304.db2.gz PAVOOHREDLPLOU-YADARESESA-N 1 1 409.530 2.842 20 0 HFADMO COCN1C(=O)CCc2cc(NC(=O)C[C@H]3C[N@H+](Cc4ccccc4)CCO3)ccc21 ZINC000787940790 1077018460 /nfs/dbraw/zinc/01/84/60/1077018460.db2.gz ADSUNKKVGIUJPW-NRFANRHFSA-N 1 1 423.513 2.799 20 0 HFADMO COCN1C(=O)CCc2cc(NC(=O)C[C@H]3C[N@@H+](Cc4ccccc4)CCO3)ccc21 ZINC000787940790 1077018465 /nfs/dbraw/zinc/01/84/65/1077018465.db2.gz ADSUNKKVGIUJPW-NRFANRHFSA-N 1 1 423.513 2.799 20 0 HFADMO C[C@@H](CNC(=O)[C@@H](C)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000788005274 1077026745 /nfs/dbraw/zinc/02/67/45/1077026745.db2.gz VQUYDPXLDGWBIS-ZWKOTPCHSA-N 1 1 419.566 2.646 20 0 HFADMO Cc1cccc(Cn2[nH]ccc2=NC(=O)CN2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000788005020 1077026810 /nfs/dbraw/zinc/02/68/10/1077026810.db2.gz YNWCGAKICHIFQQ-UHFFFAOYSA-N 1 1 419.529 2.847 20 0 HFADMO Cc1ccc([C@@H](C)NC(=O)C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000788016309 1077029428 /nfs/dbraw/zinc/02/94/28/1077029428.db2.gz SEMLVNZDTMYBQW-SJLPKXTDSA-N 1 1 414.575 2.561 20 0 HFADMO COc1cc(C(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)cnc1Br ZINC000788229347 1077083900 /nfs/dbraw/zinc/08/39/00/1077083900.db2.gz ROOABZFVDOZZCY-UHFFFAOYSA-N 1 1 420.311 2.658 20 0 HFADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)NOCc2ccc(C(F)(F)F)cc2)CC1 ZINC000746740075 1077096415 /nfs/dbraw/zinc/09/64/15/1077096415.db2.gz CLRZWUPJCDLVQA-HNNXBMFYSA-N 1 1 402.461 2.710 20 0 HFADMO CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)c1cnn(C)c1 ZINC000788308117 1077114901 /nfs/dbraw/zinc/11/49/01/1077114901.db2.gz UTHLXCDNWRRITO-LJQANCHMSA-N 1 1 419.570 2.805 20 0 HFADMO COCCOc1cc(OC)ccc1C(=O)O[C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000788360879 1077125519 /nfs/dbraw/zinc/12/55/19/1077125519.db2.gz ZXQJBNDWTJKCEL-GOSISDBHSA-N 1 1 415.490 2.953 20 0 HFADMO CCOC(=O)[C@@]1(C)CC(=O)N(C[NH+]2CCC(COc3ccc(Cl)nc3)CC2)C1 ZINC000788371068 1077130520 /nfs/dbraw/zinc/13/05/20/1077130520.db2.gz CBJWRFRRDCOIHV-FQEVSTJZSA-N 1 1 409.914 2.585 20 0 HFADMO C[C@@H](C[NH+]1CCOCC1)N(C)Cn1nc(N2CCC(C)CC2)n(C2CC2)c1=S ZINC000788378544 1077135007 /nfs/dbraw/zinc/13/50/07/1077135007.db2.gz SCRKYXKKYFHZDW-KRWDZBQOSA-N 1 1 408.616 2.595 20 0 HFADMO Cc1nc(-c2ccc(Br)cc2)nn1C[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000788379641 1077135271 /nfs/dbraw/zinc/13/52/71/1077135271.db2.gz WQDCAZRDINVUPL-CQSZACIVSA-N 1 1 408.344 2.626 20 0 HFADMO Cc1nc(-c2ccc(Br)cc2)nn1C[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000788379641 1077135274 /nfs/dbraw/zinc/13/52/74/1077135274.db2.gz WQDCAZRDINVUPL-CQSZACIVSA-N 1 1 408.344 2.626 20 0 HFADMO CC(C)(C)OC(=O)NC(C)(C)c1noc(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)n1 ZINC000788469965 1077169950 /nfs/dbraw/zinc/16/99/50/1077169950.db2.gz STJXZMWAQCGURT-HZPDHXFCSA-N 1 1 423.558 2.562 20 0 HFADMO CC(C)(C)OC(=O)N1CCN(CC[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)CC1 ZINC000788490094 1077178427 /nfs/dbraw/zinc/17/84/27/1077178427.db2.gz XKLPGQGKTCWGJS-NRFANRHFSA-N 1 1 403.567 2.873 20 0 HFADMO CC(C)(C)OC(=O)N1CCN(CC[N@H+]2CCO[C@@H](CCc3ccccc3)C2)CC1 ZINC000788490094 1077178430 /nfs/dbraw/zinc/17/84/30/1077178430.db2.gz XKLPGQGKTCWGJS-NRFANRHFSA-N 1 1 403.567 2.873 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)ccc1F ZINC000788491436 1077179455 /nfs/dbraw/zinc/17/94/55/1077179455.db2.gz OBJPSMFOPQCPEO-KRWDZBQOSA-N 1 1 408.451 2.798 20 0 HFADMO CC[N@@H+](CCNC(=O)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(C)C ZINC000788483986 1077191973 /nfs/dbraw/zinc/19/19/73/1077191973.db2.gz GPXPZMAKONSJNY-VXGBXAGGSA-N 1 1 419.410 2.859 20 0 HFADMO C[C@H]1C[C@H](NC(=O)C(=O)NCCSC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000788550377 1077197803 /nfs/dbraw/zinc/19/78/03/1077197803.db2.gz YPLRSRJWHMTCKQ-DZGCQCFKSA-N 1 1 403.470 2.525 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)C[C@H](C)O1 ZINC000788588027 1077213488 /nfs/dbraw/zinc/21/34/88/1077213488.db2.gz ISXMVDAGASSLBG-RDGPPVDQSA-N 1 1 404.555 2.873 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)C[C@H](C)O1 ZINC000788588027 1077213492 /nfs/dbraw/zinc/21/34/92/1077213492.db2.gz ISXMVDAGASSLBG-RDGPPVDQSA-N 1 1 404.555 2.873 20 0 HFADMO CCC(C)(C)c1ccc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000790927168 1077235317 /nfs/dbraw/zinc/23/53/17/1077235317.db2.gz SGLLEVUUKFZCMR-OAQYLSRUSA-N 1 1 414.594 2.941 20 0 HFADMO C[C@@H](CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000788640068 1077243218 /nfs/dbraw/zinc/24/32/18/1077243218.db2.gz BDIURZLCNAUCBE-OVQGTLEDSA-N 1 1 424.545 2.815 20 0 HFADMO COC(=O)c1sc(S(=O)(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c(C)c1Cl ZINC000788677677 1077247404 /nfs/dbraw/zinc/24/74/04/1077247404.db2.gz VYUCHYFMQROOFI-GHMZBOCLSA-N 1 1 408.973 2.895 20 0 HFADMO CCOC(=O)[C@@H]1[C@H](N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000788690174 1077251805 /nfs/dbraw/zinc/25/18/05/1077251805.db2.gz WMCWJRNIVCSCNF-ZRNYENFQSA-N 1 1 417.550 2.963 20 0 HFADMO CCOC(=O)[C@@H]1[C@H](N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000788690174 1077251809 /nfs/dbraw/zinc/25/18/09/1077251809.db2.gz WMCWJRNIVCSCNF-ZRNYENFQSA-N 1 1 417.550 2.963 20 0 HFADMO C[C@@]1(CNC(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000791054011 1077284523 /nfs/dbraw/zinc/28/45/23/1077284523.db2.gz BGUIJWNEMCMNND-OFNKIYASSA-N 1 1 412.555 2.976 20 0 HFADMO C[C@]1(CNC(=O)Cc2ccccc2S(C)(=O)=O)CC[N@@H+](Cc2ccccc2)C1 ZINC000791054942 1077284903 /nfs/dbraw/zinc/28/49/03/1077284903.db2.gz GNIXBNFBVLBVPX-JOCHJYFZSA-N 1 1 400.544 2.661 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000791062239 1077286626 /nfs/dbraw/zinc/28/66/26/1077286626.db2.gz SPNCVXHLWFCHSF-HQSKLWIPSA-N 1 1 421.582 2.685 20 0 HFADMO CCOC(=O)[C@H]1[C@H]([NH2+]Cc2ccc3c(n2)CCCC3)CCN1C(=O)OC(C)(C)C ZINC000788774907 1077297468 /nfs/dbraw/zinc/29/74/68/1077297468.db2.gz IPNCCWMPXKSLIL-RTBURBONSA-N 1 1 403.523 2.991 20 0 HFADMO CCCN1C(=O)C(=O)N(C[N@@H+](Cc2cccc(Br)c2)CC2CC2)C1=O ZINC000788778952 1077299090 /nfs/dbraw/zinc/29/90/90/1077299090.db2.gz FIYNAYSTIYMIJB-UHFFFAOYSA-N 1 1 408.296 2.819 20 0 HFADMO CCCN1C(=O)C(=O)N(C[N@H+](Cc2cccc(Br)c2)CC2CC2)C1=O ZINC000788778952 1077299098 /nfs/dbraw/zinc/29/90/98/1077299098.db2.gz FIYNAYSTIYMIJB-UHFFFAOYSA-N 1 1 408.296 2.819 20 0 HFADMO CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000788816931 1077307457 /nfs/dbraw/zinc/30/74/57/1077307457.db2.gz WYSXUGLVTLSGIO-UXHICEINSA-N 1 1 413.562 2.924 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788832911 1077314229 /nfs/dbraw/zinc/31/42/29/1077314229.db2.gz UDHKFOXKZDCMHN-OIBXWCBGSA-N 1 1 420.557 2.949 20 0 HFADMO C[C@H]1C[C@@H](C(=O)NCCN2C(=O)S/C(=C/c3ccccc3F)C2=O)CC[N@H+]1C ZINC000791196732 1077320461 /nfs/dbraw/zinc/32/04/61/1077320461.db2.gz UNJOHTRDJWYMTI-LALGLYKDSA-N 1 1 405.495 2.709 20 0 HFADMO CSC1(CNC(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CCC1 ZINC000788878992 1077327850 /nfs/dbraw/zinc/32/78/50/1077327850.db2.gz PMICRFQLQLIPJQ-UHFFFAOYSA-N 1 1 400.589 2.514 20 0 HFADMO CC/C(=C\C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1)c1ccc(OC)cc1 ZINC000746773876 1077349246 /nfs/dbraw/zinc/34/92/46/1077349246.db2.gz ZXFNKIUMGOOASQ-HTXNQAPBSA-N 1 1 401.551 2.891 20 0 HFADMO CC/C(=C\C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1)c1ccc(OC)cc1 ZINC000746773876 1077349250 /nfs/dbraw/zinc/34/92/50/1077349250.db2.gz ZXFNKIUMGOOASQ-HTXNQAPBSA-N 1 1 401.551 2.891 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000788915301 1077352755 /nfs/dbraw/zinc/35/27/55/1077352755.db2.gz WFHQPYHMEVNWPE-KSZLIROESA-N 1 1 412.575 2.527 20 0 HFADMO 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CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2ccc(Br)c(C)c2F)CC1 ZINC000789076129 1077397915 /nfs/dbraw/zinc/39/79/15/1077397915.db2.gz AKDPDBSDVJYMCG-LBPRGKRZSA-N 1 1 401.276 2.606 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000791467594 1077440564 /nfs/dbraw/zinc/44/05/64/1077440564.db2.gz OYMJEUDFLIWJTA-VGOFRKELSA-N 1 1 409.486 2.588 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC000789221878 1077449216 /nfs/dbraw/zinc/44/92/16/1077449216.db2.gz IHHFHZVEDHZFAY-MHORFTMASA-N 1 1 412.575 2.573 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC000789221878 1077449219 /nfs/dbraw/zinc/44/92/19/1077449219.db2.gz IHHFHZVEDHZFAY-MHORFTMASA-N 1 1 412.575 2.573 20 0 HFADMO CSc1cccc(N2C[C@H](C(=O)OCCC[NH+]3CCN(C(C)C)CC3)CC2=O)c1 ZINC000791568986 1077464506 /nfs/dbraw/zinc/46/45/06/1077464506.db2.gz IVOXGAUFWYBKHS-GOSISDBHSA-N 1 1 419.591 2.721 20 0 HFADMO 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HFADMO COCCCNC(=O)C1CC[NH+]([C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CC1 ZINC000789310959 1077509112 /nfs/dbraw/zinc/50/91/12/1077509112.db2.gz XPYHHKFYDMEJCZ-HXUWFJFHSA-N 1 1 401.551 2.582 20 0 HFADMO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789310303 1077509446 /nfs/dbraw/zinc/50/94/46/1077509446.db2.gz AKFPAIMFNMSREC-CQSZACIVSA-N 1 1 416.909 2.952 20 0 HFADMO CCOc1nc(C)ccc1C(=O)O[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000791647603 1077510425 /nfs/dbraw/zinc/51/04/25/1077510425.db2.gz HEPAEJQRFLVJLJ-MJGOQNOKSA-N 1 1 411.502 2.725 20 0 HFADMO COC(=O)[C@H](CC(C)C)NC(=O)C[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789314668 1077511220 /nfs/dbraw/zinc/51/12/20/1077511220.db2.gz DLIBRZNAUALDLA-KRWDZBQOSA-N 1 1 411.930 2.530 20 0 HFADMO COC(=O)[C@@]1(NC(=O)c2ccnn2-c2ccccc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000791634798 1077521085 /nfs/dbraw/zinc/52/10/85/1077521085.db2.gz RAEWGWREMNODMY-XMMPIXPASA-N 1 1 418.497 2.810 20 0 HFADMO 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CC(C)N1CC[NH+](CCCOC(=O)CCNC(=O)c2ccc3ccccc3c2)CC1 ZINC000791682574 1077527168 /nfs/dbraw/zinc/52/71/68/1077527168.db2.gz UQQBUINBHDQQBR-UHFFFAOYSA-N 1 1 411.546 2.919 20 0 HFADMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)c(N2CCOC2=O)c1 ZINC000746802342 1077527967 /nfs/dbraw/zinc/52/79/67/1077527967.db2.gz ZJFFWUXOBPYKPG-GOSISDBHSA-N 1 1 416.522 2.661 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2nc3c(s2)CCCCC3)cn1 ZINC000789382805 1077530265 /nfs/dbraw/zinc/53/02/65/1077530265.db2.gz QULUHJZCVZVHEZ-UHFFFAOYSA-N 1 1 410.503 2.556 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000789360043 1077536979 /nfs/dbraw/zinc/53/69/79/1077536979.db2.gz XFKIJSVUNLFFPY-HNNXBMFYSA-N 1 1 408.458 2.621 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000789360043 1077536982 /nfs/dbraw/zinc/53/69/82/1077536982.db2.gz XFKIJSVUNLFFPY-HNNXBMFYSA-N 1 1 408.458 2.621 20 0 HFADMO FC(F)CN1CCSc2ccc(NC(=S)NCCC[NH+]3CCOCC3)cc21 ZINC000789360294 1077537617 /nfs/dbraw/zinc/53/76/17/1077537617.db2.gz WYMICYVXIIMBFH-UHFFFAOYSA-N 1 1 416.563 2.873 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000789367407 1077540676 /nfs/dbraw/zinc/54/06/76/1077540676.db2.gz YUCPPTMQFGVGPM-INIZCTEOSA-N 1 1 424.501 2.977 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000789367407 1077540679 /nfs/dbraw/zinc/54/06/79/1077540679.db2.gz YUCPPTMQFGVGPM-INIZCTEOSA-N 1 1 424.501 2.977 20 0 HFADMO COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)Nc3ccc(Cl)nc3C)CC2)cc1 ZINC000789379871 1077547545 /nfs/dbraw/zinc/54/75/45/1077547545.db2.gz RBCOBJFJCGZDCI-UHFFFAOYSA-N 1 1 416.909 2.725 20 0 HFADMO COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)Nc3ccc(Cl)nc3C)CC2)cc1 ZINC000789379871 1077547547 /nfs/dbraw/zinc/54/75/47/1077547547.db2.gz RBCOBJFJCGZDCI-UHFFFAOYSA-N 1 1 416.909 2.725 20 0 HFADMO C[C@@H](CCNC(=O)C(=O)Nc1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1ccccc1 ZINC000746809336 1077549443 /nfs/dbraw/zinc/54/94/43/1077549443.db2.gz IUARPUAZKBKLRY-KRWDZBQOSA-N 1 1 424.501 2.609 20 0 HFADMO CC(=O)Nc1ccc(NC(=O)C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1C ZINC000746808828 1077550416 /nfs/dbraw/zinc/55/04/16/1077550416.db2.gz IIORVYVFBJZOCM-QGZVFWFLSA-N 1 1 410.518 2.919 20 0 HFADMO COc1cccc(C2=NO[C@H](C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)c1 ZINC000791753029 1077552667 /nfs/dbraw/zinc/55/26/67/1077552667.db2.gz XZUXDLPQSWLEKZ-GGAORHGYSA-N 1 1 423.513 2.596 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[C@H](Cc3ccccc3)[C@@H]2C)cn1 ZINC000746810650 1077553557 /nfs/dbraw/zinc/55/35/57/1077553557.db2.gz OADLVWDELSWKKH-QFBILLFUSA-N 1 1 403.486 2.994 20 0 HFADMO CCCCNC(=O)[C@@H]1CCC[N@H+](CN2C(=O)N[C@@](CCC(C)C)(C3CC3)C2=O)C1 ZINC000789425888 1077555555 /nfs/dbraw/zinc/55/55/55/1077555555.db2.gz RITGNESKOYKPFH-VGSWGCGISA-N 1 1 406.571 2.709 20 0 HFADMO CCCCNC(=O)[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@](CCC(C)C)(C3CC3)C2=O)C1 ZINC000789425888 1077555556 /nfs/dbraw/zinc/55/55/56/1077555556.db2.gz RITGNESKOYKPFH-VGSWGCGISA-N 1 1 406.571 2.709 20 0 HFADMO COc1ccc([C@@H]2[C@@H](COC(=O)CN3CCc4ccccc4C3=O)CC[N@H+]2C)cc1 ZINC000789432707 1077570126 /nfs/dbraw/zinc/57/01/26/1077570126.db2.gz MGUPLLOJBDHBQT-AUSIDOKSSA-N 1 1 408.498 2.930 20 0 HFADMO COc1ccc([C@H]2[C@H](COC(=O)CN3CCc4ccccc4C3=O)CC[N@H+]2C)cc1 ZINC000789432708 1077570165 /nfs/dbraw/zinc/57/01/65/1077570165.db2.gz MGUPLLOJBDHBQT-CVDCTZTESA-N 1 1 408.498 2.930 20 0 HFADMO CCOC(=O)C1(CNC(=O)c2ccc(N3CC[NH+](CC)CC3)c(F)c2)CCCC1 ZINC000791833620 1077578003 /nfs/dbraw/zinc/57/80/03/1077578003.db2.gz QEYMYFFFLFXHML-UHFFFAOYSA-N 1 1 405.514 2.821 20 0 HFADMO CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000746815169 1077579525 /nfs/dbraw/zinc/57/95/25/1077579525.db2.gz XIJWRIJOFYPBTE-UHFFFAOYSA-N 1 1 412.987 2.680 20 0 HFADMO CC(=O)N1CC[C@@](C)(C(=O)NN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000746823578 1077594621 /nfs/dbraw/zinc/59/46/21/1077594621.db2.gz BJDDJABLYQWLRU-RUZDIDTESA-N 1 1 420.557 2.683 20 0 HFADMO O=C(c1nn(-c2ccc(F)cc2)ccc1=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791940510 1077600522 /nfs/dbraw/zinc/60/05/22/1077600522.db2.gz UMRQMNUCGTWTSZ-KDURUIRLSA-N 1 1 418.472 2.576 20 0 HFADMO O=C(c1cc(N2CCOC2=O)ccc1F)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791940655 1077600541 /nfs/dbraw/zinc/60/05/41/1077600541.db2.gz WTFUOXYRBGVZNG-HDICACEKSA-N 1 1 409.461 2.986 20 0 HFADMO O=c1oc2cc(I)ccc2n1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000789509147 1077601668 /nfs/dbraw/zinc/60/16/68/1077601668.db2.gz SZEQHUHIHMMDCG-JSGCOSHPSA-N 1 1 414.243 2.800 20 0 HFADMO O=c1oc2cc(I)ccc2n1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000789509147 1077601671 /nfs/dbraw/zinc/60/16/71/1077601671.db2.gz SZEQHUHIHMMDCG-JSGCOSHPSA-N 1 1 414.243 2.800 20 0 HFADMO COc1ccc(Br)c(C(=O)OCCC[NH+]2CCN(C(C)C)CC2)c1N ZINC000791949689 1077606006 /nfs/dbraw/zinc/60/60/06/1077606006.db2.gz HHNIRELBWPBGED-UHFFFAOYSA-N 1 1 414.344 2.613 20 0 HFADMO COC(=O)/C=C\c1ccc(OCC[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C2=O)cc1 ZINC000789521196 1077615148 /nfs/dbraw/zinc/61/51/48/1077615148.db2.gz LLHPHTPSGHSTPI-VPAPRSNLSA-N 1 1 408.498 2.985 20 0 HFADMO C[C@@]1(c2ccc(Br)cc2)NC(=O)N(C[N@@H+]2CC[C@@]3(C2)CCCOC3)C1=O ZINC000789546634 1077638266 /nfs/dbraw/zinc/63/82/66/1077638266.db2.gz RKHAUMSUTCQDKD-RBUKOAKNSA-N 1 1 422.323 2.676 20 0 HFADMO C[C@@]1(c2ccc(Br)cc2)NC(=O)N(C[N@H+]2CC[C@@]3(C2)CCCOC3)C1=O ZINC000789546634 1077638267 /nfs/dbraw/zinc/63/82/67/1077638267.db2.gz RKHAUMSUTCQDKD-RBUKOAKNSA-N 1 1 422.323 2.676 20 0 HFADMO COC(=O)c1ccc(C)c(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792017695 1077651707 /nfs/dbraw/zinc/65/17/07/1077651707.db2.gz MLISFHQPPPAVHC-UHFFFAOYSA-N 1 1 405.495 2.663 20 0 HFADMO NC(=O)C1=NO[C@H](C[NH2+]Cc2cc(Br)ccc2OCc2ccccc2)C1 ZINC000789562198 1077680773 /nfs/dbraw/zinc/68/07/73/1077680773.db2.gz WCALXYVUGJAJBB-INIZCTEOSA-N 1 1 418.291 2.748 20 0 HFADMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+]C[C@H]1CC(C(N)=O)=NO1 ZINC000789562684 1077682498 /nfs/dbraw/zinc/68/24/98/1077682498.db2.gz YOTQCVFOPHSEKY-GOSISDBHSA-N 1 1 423.448 2.832 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)c2ccccc2COC2CCOCC2)CC1 ZINC000792035551 1077686639 /nfs/dbraw/zinc/68/66/39/1077686639.db2.gz UARJOZIRSVIPBV-UHFFFAOYSA-N 1 1 404.551 2.955 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCc2nc3ccccc3s2)CC1 ZINC000792042957 1077690956 /nfs/dbraw/zinc/69/09/56/1077690956.db2.gz XQRVWIWTMBUMKI-UHFFFAOYSA-N 1 1 404.536 2.855 20 0 HFADMO O=C(NCc1cccc(N2CCOC2=O)c1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792045283 1077691405 /nfs/dbraw/zinc/69/14/05/1077691405.db2.gz CGSPUSLBSJTHPR-HXUWFJFHSA-N 1 1 408.502 2.965 20 0 HFADMO COc1cccc(C2=NO[C@@H](C(=O)NCc3cccc(C[N@@H+]4CCO[C@@H](C)C4)c3)C2)c1 ZINC000792087129 1077710535 /nfs/dbraw/zinc/71/05/35/1077710535.db2.gz YKOFIMJXAJWNMG-GAJHUEQPSA-N 1 1 423.513 2.725 20 0 HFADMO COc1cccc(C2=NO[C@@H](C(=O)NCc3cccc(C[N@H+]4CCO[C@@H](C)C4)c3)C2)c1 ZINC000792087129 1077710539 /nfs/dbraw/zinc/71/05/39/1077710539.db2.gz YKOFIMJXAJWNMG-GAJHUEQPSA-N 1 1 423.513 2.725 20 0 HFADMO C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792130163 1077717101 /nfs/dbraw/zinc/71/71/01/1077717101.db2.gz STVMGMSLBISHEY-ICSRJNTNSA-N 1 1 417.550 2.918 20 0 HFADMO C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CNC(=O)OC(C)(C)C ZINC000792142750 1077720582 /nfs/dbraw/zinc/72/05/82/1077720582.db2.gz KTSFWDSHPSGGHE-HKUYNNGSSA-N 1 1 404.555 2.969 20 0 HFADMO COC(=O)CCc1ccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000792147487 1077722555 /nfs/dbraw/zinc/72/25/55/1077722555.db2.gz RBHYFFVLJMXRIX-UHFFFAOYSA-N 1 1 419.522 2.674 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@H]2C[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC000792150397 1077723521 /nfs/dbraw/zinc/72/35/21/1077723521.db2.gz HQYVAHMKWSPXAF-RBUKOAKNSA-N 1 1 411.587 2.981 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CC[C@H]([N@@H+](C)Cc4ccccc4)C3)C2)c1 ZINC000792199631 1077742677 /nfs/dbraw/zinc/74/26/77/1077742677.db2.gz SEPABAYTABEQDN-MBSDFSHPSA-N 1 1 423.513 2.930 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CC[C@@H]([N@@H+](C)Cc4ccccc4)C3)C2)c1 ZINC000792199629 1077742750 /nfs/dbraw/zinc/74/27/50/1077742750.db2.gz SEPABAYTABEQDN-JPYJTQIMSA-N 1 1 423.513 2.930 20 0 HFADMO C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(F)cc2O1 ZINC000792199009 1077743120 /nfs/dbraw/zinc/74/31/20/1077743120.db2.gz GTTFIHPJICAHKJ-OAHLLOKOSA-N 1 1 407.486 2.882 20 0 HFADMO C[NH+]1CCN([C@H](CNC(=O)c2nc(Br)cs2)c2cccs2)CC1 ZINC000792204527 1077744857 /nfs/dbraw/zinc/74/48/57/1077744857.db2.gz APUFNQAHIFSASM-LLVKDONJSA-N 1 1 415.382 2.686 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCO[C@@H](c3ccsc3)C2)CC1 ZINC000792221280 1077748083 /nfs/dbraw/zinc/74/80/83/1077748083.db2.gz OBWMUBDHNAJFOV-QGZVFWFLSA-N 1 1 409.552 2.591 20 0 HFADMO CC1(C)CN=C(N2CCN(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)S1 ZINC000792229727 1077753788 /nfs/dbraw/zinc/75/37/88/1077753788.db2.gz FWXRUIHEHTXNPM-IBGZPJMESA-N 1 1 415.607 2.717 20 0 HFADMO CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792234369 1077757161 /nfs/dbraw/zinc/75/71/61/1077757161.db2.gz UFJMCEUJINGEBT-SFHVURJKSA-N 1 1 405.502 2.999 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCCC2Cc3ccccc3C2)CC1 ZINC000792278458 1077772604 /nfs/dbraw/zinc/77/26/04/1077772604.db2.gz PORBUDHDYWOZKE-UHFFFAOYSA-N 1 1 401.551 2.851 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCC(Cc3cccnc3)CC2)CC1 ZINC000792295505 1077793249 /nfs/dbraw/zinc/79/32/49/1077793249.db2.gz VRJKGXMYKCPDSK-UHFFFAOYSA-N 1 1 416.566 2.806 20 0 HFADMO COc1cccc(C2=NO[C@@H](C(=O)Nc3cccc4c3CC[N@@H+](CC(C)(C)O)C4)C2)c1 ZINC000792315477 1077804136 /nfs/dbraw/zinc/80/41/36/1077804136.db2.gz AOUTVUASFHRZBW-JOCHJYFZSA-N 1 1 423.513 2.956 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCc2cc(Cl)cc3c2OCC3)CC1 ZINC000792316891 1077804301 /nfs/dbraw/zinc/80/43/01/1077804301.db2.gz CKLPSNNUJMQJGI-UHFFFAOYSA-N 1 1 423.941 2.834 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC000792330008 1077809969 /nfs/dbraw/zinc/80/99/69/1077809969.db2.gz SLXLGZLCPDFOAH-UXHICEINSA-N 1 1 417.550 2.966 20 0 HFADMO Cc1cccc(N2CCN(C(=O)C[NH+]3CCC(Oc4ccc(F)nc4)CC3)CC2)c1 ZINC000792388243 1077831476 /nfs/dbraw/zinc/83/14/76/1077831476.db2.gz BTIPVQXBYTXXFK-UHFFFAOYSA-N 1 1 412.509 2.721 20 0 HFADMO COCCC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000792396694 1077833470 /nfs/dbraw/zinc/83/34/70/1077833470.db2.gz BXTVVKNVHYXTNV-IBGZPJMESA-N 1 1 421.501 2.668 20 0 HFADMO CCOC(=O)C1C(C[NH2+][C@]2(CC)CCOC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000792430204 1077851566 /nfs/dbraw/zinc/85/15/66/1077851566.db2.gz HLMWWVPOJIRXDG-FXAWDEMLSA-N 1 1 407.898 2.670 20 0 HFADMO CCNC(=O)CN(C)Cn1nc([C@@H](C)[NH+](C)C)n(-c2ccc(Cl)cc2)c1=S ZINC000747074882 1077854367 /nfs/dbraw/zinc/85/43/67/1077854367.db2.gz ZVYRCUZAHSRURF-CYBMUJFWSA-N 1 1 410.975 2.705 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NC[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000792481018 1077876395 /nfs/dbraw/zinc/87/63/95/1077876395.db2.gz BACGMXWGRDOYNF-GOSISDBHSA-N 1 1 409.571 2.927 20 0 HFADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)c3nc(Br)cs3)cc2)CC1 ZINC000792532184 1077889373 /nfs/dbraw/zinc/88/93/73/1077889373.db2.gz OFKBQFDIEDADAN-UHFFFAOYSA-N 1 1 423.336 2.936 20 0 HFADMO CCNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N(C)CCCOc1ccc(F)cc1 ZINC001170218064 1077909968 /nfs/dbraw/zinc/90/99/68/1077909968.db2.gz SSHMVBWIBXMJRE-GOSISDBHSA-N 1 1 409.502 2.654 20 0 HFADMO CCNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N(C)CCCOc1ccc(F)cc1 ZINC001170218064 1077909971 /nfs/dbraw/zinc/90/99/71/1077909971.db2.gz SSHMVBWIBXMJRE-GOSISDBHSA-N 1 1 409.502 2.654 20 0 HFADMO CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000790009177 1077911163 /nfs/dbraw/zinc/91/11/63/1077911163.db2.gz CHDNCMRMMUBCSQ-KRWDZBQOSA-N 1 1 414.472 2.859 20 0 HFADMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)C[C@H]1C ZINC000790051265 1077931502 /nfs/dbraw/zinc/93/15/02/1077931502.db2.gz DETRTSXWAFPJMC-DENIHFKCSA-N 1 1 414.594 2.667 20 0 HFADMO O=C(N1C[C@@H]2CC[N@H+](C[C@H](O)c3ccc(Br)cc3)C[C@H]2C1)C(F)(F)F ZINC001170280410 1077936106 /nfs/dbraw/zinc/93/61/06/1077936106.db2.gz DWSKETUBKHPCGV-YDHLFZDLSA-N 1 1 421.257 2.825 20 0 HFADMO O=C(N1C[C@@H]2C[N@@H+](C[C@H](O)c3ccc(Br)cc3)CC[C@@H]2C1)C(F)(F)F ZINC001170280408 1077936188 /nfs/dbraw/zinc/93/61/88/1077936188.db2.gz DWSKETUBKHPCGV-IPYPFGDCSA-N 1 1 421.257 2.825 20 0 HFADMO NC(=O)C1CCN(c2ccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)nn2)CC1 ZINC001170331027 1077945011 /nfs/dbraw/zinc/94/50/11/1077945011.db2.gz NTHMCVGSHLPSIM-MZADTFQBSA-N 1 1 420.561 2.786 20 0 HFADMO C[C@H]1CN(Cc2ccccc2)CC[N@@H+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001170333730 1077945908 /nfs/dbraw/zinc/94/59/08/1077945908.db2.gz QTDAQNQMRGOPNZ-CVDCTZTESA-N 1 1 403.567 2.812 20 0 HFADMO C[C@@H]1CN(C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001170333730 1077945909 /nfs/dbraw/zinc/94/59/09/1077945909.db2.gz QTDAQNQMRGOPNZ-CVDCTZTESA-N 1 1 403.567 2.812 20 0 HFADMO C[C@@H]1CN(C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001170333730 1077945911 /nfs/dbraw/zinc/94/59/11/1077945911.db2.gz QTDAQNQMRGOPNZ-CVDCTZTESA-N 1 1 403.567 2.812 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCC[N@@H+](CC(=O)NC(=O)NC3CCCC3)C2)C1 ZINC001170334223 1077946362 /nfs/dbraw/zinc/94/63/62/1077946362.db2.gz YANLIXKOSHARAZ-DLBZAZTESA-N 1 1 422.570 2.724 20 0 HFADMO C[N@H+](CC(=O)Nc1ccc(Br)cn1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC001170358123 1077949686 /nfs/dbraw/zinc/94/96/86/1077949686.db2.gz MLNQYHAGWYSYRV-UHFFFAOYSA-N 1 1 413.316 2.770 20 0 HFADMO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC001170358123 1077949690 /nfs/dbraw/zinc/94/96/90/1077949690.db2.gz MLNQYHAGWYSYRV-UHFFFAOYSA-N 1 1 413.316 2.770 20 0 HFADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)N2CCC(Oc3ccc(F)nc3)CC2)C[C@H](C)O1 ZINC000790140793 1077954796 /nfs/dbraw/zinc/95/47/96/1077954796.db2.gz YDKOWAAVQMRVQK-HOTGVXAUSA-N 1 1 408.518 2.661 20 0 HFADMO CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC001170349963 1077955544 /nfs/dbraw/zinc/95/55/44/1077955544.db2.gz VSTOJBHBYKDSBJ-QZTJIDSGSA-N 1 1 407.555 2.536 20 0 HFADMO O=C(C[C@H](O)c1ccc(Cl)cc1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000772813187 1077955867 /nfs/dbraw/zinc/95/58/67/1077955867.db2.gz OGOKGSOSZVIHIY-NRSPTQNISA-N 1 1 402.922 2.763 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000790121001 1077957961 /nfs/dbraw/zinc/95/79/61/1077957961.db2.gz BEOVVSJZTHEGDQ-IBGZPJMESA-N 1 1 419.566 2.692 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000790121001 1077957963 /nfs/dbraw/zinc/95/79/63/1077957963.db2.gz BEOVVSJZTHEGDQ-IBGZPJMESA-N 1 1 419.566 2.692 20 0 HFADMO CCOc1cc2c(cc1/C=C/C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)O[C@@H](C)C2 ZINC000790123508 1077958393 /nfs/dbraw/zinc/95/83/93/1077958393.db2.gz FUTZASKIYQAPFY-OZSKJFCKSA-N 1 1 402.535 2.991 20 0 HFADMO 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COCC1(C(=O)OCC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)CCC1 ZINC000792676715 1077971250 /nfs/dbraw/zinc/97/12/50/1077971250.db2.gz GDLSHQWEUSKTMR-UHFFFAOYSA-N 1 1 402.535 2.814 20 0 HFADMO C[C@@H]1CSCC[N@H+](Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)C1 ZINC000792721895 1077974542 /nfs/dbraw/zinc/97/45/42/1077974542.db2.gz HLXOVINQGWQPSO-LBPRGKRZSA-N 1 1 401.579 2.856 20 0 HFADMO C[C@@H]1CSCC[N@@H+](Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)C1 ZINC000792721895 1077974545 /nfs/dbraw/zinc/97/45/45/1077974545.db2.gz HLXOVINQGWQPSO-LBPRGKRZSA-N 1 1 401.579 2.856 20 0 HFADMO O=C(NCC[N@@H+]1CCc2sccc2C1)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000790242468 1077975164 /nfs/dbraw/zinc/97/51/64/1077975164.db2.gz HCRUQTDYZSNIEW-UHFFFAOYSA-N 1 1 404.511 2.893 20 0 HFADMO O=C(NCC[N@H+]1CCc2sccc2C1)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000790242468 1077975166 /nfs/dbraw/zinc/97/51/66/1077975166.db2.gz HCRUQTDYZSNIEW-UHFFFAOYSA-N 1 1 404.511 2.893 20 0 HFADMO C[C@H](C(=O)NN1C(=O)NC2(CCCCC2)C1=O)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000790242712 1077975194 /nfs/dbraw/zinc/97/51/94/1077975194.db2.gz ONCYBDOGVSNBHM-QGZVFWFLSA-N 1 1 412.534 2.616 20 0 HFADMO COC(=O)[C@H](C)C[N@H+](Cn1c(=O)oc2cc(F)c(Br)cc21)C1CC1 ZINC000792708156 1077979611 /nfs/dbraw/zinc/97/96/11/1077979611.db2.gz YDRRXNHLLZTOLU-SECBINFHSA-N 1 1 401.232 2.727 20 0 HFADMO COC(=O)[C@H](C)C[N@@H+](Cn1c(=O)oc2cc(F)c(Br)cc21)C1CC1 ZINC000792708156 1077979613 /nfs/dbraw/zinc/97/96/13/1077979613.db2.gz YDRRXNHLLZTOLU-SECBINFHSA-N 1 1 401.232 2.727 20 0 HFADMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH]c3=S)cc2)C[C@@H](C)O1 ZINC000746888528 1077981227 /nfs/dbraw/zinc/98/12/27/1077981227.db2.gz ZNQVKUQZMWTZLM-MDZRGWNJSA-N 1 1 400.548 2.875 20 0 HFADMO C[C@@H](SCCN1C[C@H]2CC[C@@H](C1)O2)[C@@H](C)SCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000790283696 1077984389 /nfs/dbraw/zinc/98/43/89/1077984389.db2.gz RWHCXCFEAZXYDB-CPPNMTBBSA-N 1 1 400.654 2.956 20 0 HFADMO C[C@@H](SCCN1C[C@H]2CC[C@@H](C1)O2)[C@@H](C)SCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000790283696 1077984393 /nfs/dbraw/zinc/98/43/93/1077984393.db2.gz RWHCXCFEAZXYDB-CPPNMTBBSA-N 1 1 400.654 2.956 20 0 HFADMO CN(Cc1ccc(F)cc1Br)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000790292466 1077987573 /nfs/dbraw/zinc/98/75/73/1077987573.db2.gz KOFGLQGQPPBPHW-HUUCEWRRSA-N 1 1 400.292 2.593 20 0 HFADMO CN(Cc1ccc(F)cc1Br)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000790292467 1077987590 /nfs/dbraw/zinc/98/75/90/1077987590.db2.gz KOFGLQGQPPBPHW-LSDHHAIUSA-N 1 1 400.292 2.593 20 0 HFADMO C[C@H]1CSCC[N@H+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)C1 ZINC000792726558 1077988761 /nfs/dbraw/zinc/98/87/61/1077988761.db2.gz SPHSJWVYLLBPRF-SJKOYZFVSA-N 1 1 412.353 2.859 20 0 HFADMO C[C@H]1CSCC[N@@H+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)C1 ZINC000792726558 1077988765 /nfs/dbraw/zinc/98/87/65/1077988765.db2.gz SPHSJWVYLLBPRF-SJKOYZFVSA-N 1 1 412.353 2.859 20 0 HFADMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1nc(Br)ccc1Br ZINC000790344938 1078008096 /nfs/dbraw/zinc/00/80/96/1078008096.db2.gz YHZYEDVHVWWXJX-NXEZZACHSA-N 1 1 403.118 2.963 20 0 HFADMO CCOc1ccccc1C[N@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000747089366 1078011809 /nfs/dbraw/zinc/01/18/09/1078011809.db2.gz ALBHYJJHVOYYEQ-GOSISDBHSA-N 1 1 405.539 2.938 20 0 HFADMO O=C(NC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1)OCc1ccccc1 ZINC000792852676 1078014850 /nfs/dbraw/zinc/01/48/50/1078014850.db2.gz CHHBOUOEUWSLKQ-PCCBWWKXSA-N 1 1 414.550 2.961 20 0 HFADMO O=C1CN([C@H]2CCN(C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)c2ccccc2N1 ZINC000792878010 1078016028 /nfs/dbraw/zinc/01/60/28/1078016028.db2.gz QYBJRPGDQBGJNX-FCHUYYIVSA-N 1 1 420.557 2.811 20 0 HFADMO O=C1CN([C@H]2CC[N@H+](C[C@H]3CN(Cc4ccccc4)CCCO3)C2)c2ccccc2N1 ZINC000792878010 1078016032 /nfs/dbraw/zinc/01/60/32/1078016032.db2.gz QYBJRPGDQBGJNX-FCHUYYIVSA-N 1 1 420.557 2.811 20 0 HFADMO O=C1CN([C@H]2CC[N@@H+](C[C@H]3CN(Cc4ccccc4)CCCO3)C2)c2ccccc2N1 ZINC000792878010 1078016037 /nfs/dbraw/zinc/01/60/37/1078016037.db2.gz QYBJRPGDQBGJNX-FCHUYYIVSA-N 1 1 420.557 2.811 20 0 HFADMO 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CCCCn1c2nc(C[N@@H+]3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)n(C)c2c(=O)[nH]c1=O ZINC000792898543 1078018977 /nfs/dbraw/zinc/01/89/77/1078018977.db2.gz CSWSGQAIMUHRMS-DIFFPNOSSA-N 1 1 414.337 2.651 20 0 HFADMO CCCCn1c2nc(C[N@H+]3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)n(C)c2c(=O)[nH]c1=O ZINC000792898543 1078018983 /nfs/dbraw/zinc/01/89/83/1078018983.db2.gz CSWSGQAIMUHRMS-DIFFPNOSSA-N 1 1 414.337 2.651 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@H](O)C[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000792941526 1078022227 /nfs/dbraw/zinc/02/22/27/1078022227.db2.gz GGPRILBKLPXISW-HNNXBMFYSA-N 1 1 415.937 2.872 20 0 HFADMO C[N@H+]1CCN(Cc2nnnn2-c2ccc(OC(F)F)cc2)C[C@@H]1Cc1ccccc1 ZINC000792944173 1078022983 /nfs/dbraw/zinc/02/29/83/1078022983.db2.gz WVRFUFUHGHSYHG-SFHVURJKSA-N 1 1 414.460 2.622 20 0 HFADMO C[C@@]12CC[N@H+](CC(=O)NCc3ccc(N4CCCC4=O)cc3)C[C@@H]1C2(Cl)Cl ZINC000792914660 1078024409 /nfs/dbraw/zinc/02/44/09/1078024409.db2.gz XHNNKBBBCDSRKN-QFBILLFUSA-N 1 1 410.345 2.945 20 0 HFADMO C[C@@]12CC[N@@H+](CC(=O)NCc3ccc(N4CCCC4=O)cc3)C[C@@H]1C2(Cl)Cl ZINC000792914660 1078024415 /nfs/dbraw/zinc/02/44/15/1078024415.db2.gz XHNNKBBBCDSRKN-QFBILLFUSA-N 1 1 410.345 2.945 20 0 HFADMO COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c(OC)c1 ZINC000792914806 1078024854 /nfs/dbraw/zinc/02/48/54/1078024854.db2.gz XSBCMIHQENPTQL-QBIMZIAESA-N 1 1 418.317 2.737 20 0 HFADMO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H](c2cncc(Br)c2)C2CC2)o1 ZINC000792935229 1078028899 /nfs/dbraw/zinc/02/88/99/1078028899.db2.gz PDGPEBUEVOBOKH-INIZCTEOSA-N 1 1 414.325 2.928 20 0 HFADMO C[C@@H]1C[N@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000792973968 1078030479 /nfs/dbraw/zinc/03/04/79/1078030479.db2.gz PFIODEZOOSTVIW-OWCLPIDISA-N 1 1 401.548 2.592 20 0 HFADMO COC(=O)C[C@H]1CCCC[N@H+]1Cn1ncc2c1ccc(Br)c2C(=O)OC ZINC000790439503 1078031725 /nfs/dbraw/zinc/03/17/25/1078031725.db2.gz OBBWSVKQVSBGDF-GFCCVEGCSA-N 1 1 424.295 2.961 20 0 HFADMO CCOC(=O)[C@H]1CCC[N@H+](Cn2ncc3c2ccc(Br)c3C(=O)OC)C1 ZINC000790440520 1078032209 /nfs/dbraw/zinc/03/22/09/1078032209.db2.gz XFDPBSYUUVSGDR-LBPRGKRZSA-N 1 1 424.295 2.818 20 0 HFADMO CCOC(=O)[C@H]1CCC[N@@H+](Cn2ncc3c2ccc(Br)c3C(=O)OC)C1 ZINC000790440520 1078032212 /nfs/dbraw/zinc/03/22/12/1078032212.db2.gz XFDPBSYUUVSGDR-LBPRGKRZSA-N 1 1 424.295 2.818 20 0 HFADMO O=C(Nc1cccc(Br)n1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000792954592 1078034181 /nfs/dbraw/zinc/03/41/81/1078034181.db2.gz OYZQMUMMMQVAQE-OAHLLOKOSA-N 1 1 417.307 2.563 20 0 HFADMO O=C(OCc1ccccc1)N1CCC([NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000790471052 1078038760 /nfs/dbraw/zinc/03/87/60/1078038760.db2.gz GLGWZSRQKIRPDR-YADHBBJMSA-N 1 1 401.551 2.755 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@@H](O)C[N@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000792986583 1078041209 /nfs/dbraw/zinc/04/12/09/1078041209.db2.gz QNOFTBAQKSHAER-MRXNPFEDSA-N 1 1 413.559 2.738 20 0 HFADMO COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)c2c(Cl)nc3ccccn32)cc1 ZINC000790485965 1078042190 /nfs/dbraw/zinc/04/21/90/1078042190.db2.gz ZQOFQHQJRNJEEI-HNNXBMFYSA-N 1 1 408.911 2.578 20 0 HFADMO C[C@@H](CNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000792990239 1078042201 /nfs/dbraw/zinc/04/22/01/1078042201.db2.gz SINGTOFAVZOKLW-HKUYNNGSSA-N 1 1 402.539 2.817 20 0 HFADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000806254937 1079523247 /nfs/dbraw/zinc/52/32/47/1079523247.db2.gz XLMRPRIHAZBRGW-QHAWAJNXSA-N 1 1 419.541 2.621 20 0 HFADMO CCc1ccc([C@@H](O)CNC(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000806309013 1079561260 /nfs/dbraw/zinc/56/12/60/1079561260.db2.gz LRUUNQRTXBUARC-PMACEKPBSA-N 1 1 416.591 2.632 20 0 HFADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1c2c(sc1-n1cccc1)CSCC2 ZINC000747325259 1079594698 /nfs/dbraw/zinc/59/46/98/1079594698.db2.gz GHHNHEVDWDHBID-GJZGRUSLSA-N 1 1 403.573 2.921 20 0 HFADMO C[C@@]1(NC(=O)CCOc2ccc(S(C)(=O)=O)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001130610040 1079629427 /nfs/dbraw/zinc/62/94/27/1079629427.db2.gz PKHWPGOHWQHXDD-JOCHJYFZSA-N 1 1 416.543 2.640 20 0 HFADMO Cc1ccccc1[C@H](O)C1CCN(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000806360241 1079647275 /nfs/dbraw/zinc/64/72/75/1079647275.db2.gz AFHYQJBXSMNLHM-XZOQPEGZSA-N 1 1 416.610 2.722 20 0 HFADMO CN1CC[NH+](C(C)(C)CNC(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)CC1 ZINC000806361907 1079648907 /nfs/dbraw/zinc/64/89/07/1079648907.db2.gz NOJYQKKVGFCYAM-QHCPKHFHSA-N 1 1 424.589 2.958 20 0 HFADMO C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000806429224 1079674036 /nfs/dbraw/zinc/67/40/36/1079674036.db2.gz RNAPLFZNZYZCET-GGPKGHCWSA-N 1 1 406.571 2.903 20 0 HFADMO C[C@H](CNC(=O)N1CCCC[C@H]1COC(=O)N(C)C)[N@H+]1CCc2ccccc2C1 ZINC000806434953 1079681466 /nfs/dbraw/zinc/68/14/66/1079681466.db2.gz ZDEMMFXZRLWCPN-XLIONFOSSA-N 1 1 402.539 2.696 20 0 HFADMO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000806494760 1079746110 /nfs/dbraw/zinc/74/61/10/1079746110.db2.gz KMPKSDVURQRZPW-GOSISDBHSA-N 1 1 414.510 2.728 20 0 HFADMO Cc1nccn1-c1ccc(CNC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)cn1 ZINC000806495458 1079746207 /nfs/dbraw/zinc/74/62/07/1079746207.db2.gz QTJPNKXPGIKYSB-NRFANRHFSA-N 1 1 404.518 2.644 20 0 HFADMO Cc1nccn1-c1ccc(CNC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)cn1 ZINC000806495458 1079746218 /nfs/dbraw/zinc/74/62/18/1079746218.db2.gz QTJPNKXPGIKYSB-NRFANRHFSA-N 1 1 404.518 2.644 20 0 HFADMO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000806509256 1079759352 /nfs/dbraw/zinc/75/93/52/1079759352.db2.gz KGZLHJVRIHDKQD-KRWDZBQOSA-N 1 1 408.568 2.805 20 0 HFADMO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000806509256 1079759363 /nfs/dbraw/zinc/75/93/63/1079759363.db2.gz KGZLHJVRIHDKQD-KRWDZBQOSA-N 1 1 408.568 2.805 20 0 HFADMO Cc1noc(C)c1CCCNC(=O)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000806478666 1079764614 /nfs/dbraw/zinc/76/46/14/1079764614.db2.gz WOQVORVRRYFLCF-KRWDZBQOSA-N 1 1 418.582 2.843 20 0 HFADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)C1 ZINC000806512956 1079788471 /nfs/dbraw/zinc/78/84/71/1079788471.db2.gz YKIMGFHTKQCDQN-CEXWTWQISA-N 1 1 424.586 2.576 20 0 HFADMO CC[C@H]1CN(C(=O)C(=O)NCCc2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000806591878 1079834796 /nfs/dbraw/zinc/83/47/96/1079834796.db2.gz FEMKCLVSVHGOGJ-IBGZPJMESA-N 1 1 414.937 2.517 20 0 HFADMO CC[C@H]1CN(C(=O)C(=O)NCCc2ccc(Cl)nc2)CC[N@H+]1Cc1ccccc1 ZINC000806591878 1079834809 /nfs/dbraw/zinc/83/48/09/1079834809.db2.gz FEMKCLVSVHGOGJ-IBGZPJMESA-N 1 1 414.937 2.517 20 0 HFADMO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747341695 1079876047 /nfs/dbraw/zinc/87/60/47/1079876047.db2.gz HKBLIESKTQHYHR-QZTJIDSGSA-N 1 1 402.926 2.795 20 0 HFADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000747343195 1079906088 /nfs/dbraw/zinc/90/60/88/1079906088.db2.gz OSSYBOKNFSBPRH-SJORKVTESA-N 1 1 409.515 2.589 20 0 HFADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000747343192 1079906171 /nfs/dbraw/zinc/90/61/71/1079906171.db2.gz OSSYBOKNFSBPRH-IRXDYDNUSA-N 1 1 409.515 2.589 20 0 HFADMO Cc1ccc(NC(=O)[C@H]2CCCC23OCCO3)cc1NC(=O)C[NH+]1CCCCC1 ZINC000806665900 1079928641 /nfs/dbraw/zinc/92/86/41/1079928641.db2.gz DZYGGMZXLZIOSG-GOSISDBHSA-N 1 1 401.507 2.901 20 0 HFADMO CCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000806727002 1079951311 /nfs/dbraw/zinc/95/13/11/1079951311.db2.gz LBYWZLADWHNMDB-NHCUHLMSSA-N 1 1 416.566 2.861 20 0 HFADMO CC[C@H]1CN(C(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000806728582 1079951334 /nfs/dbraw/zinc/95/13/34/1079951334.db2.gz RFFRJZQISFHTDO-QFIPXVFZSA-N 1 1 423.557 2.653 20 0 HFADMO CC[C@H]1CN(C(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000806728582 1079951339 /nfs/dbraw/zinc/95/13/39/1079951339.db2.gz RFFRJZQISFHTDO-QFIPXVFZSA-N 1 1 423.557 2.653 20 0 HFADMO C[C@H]1CCN(C(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000806728261 1079951864 /nfs/dbraw/zinc/95/18/64/1079951864.db2.gz NKUYNVIHVGURHD-IBGZPJMESA-N 1 1 423.557 2.653 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)C1CC1 ZINC000806730253 1079955141 /nfs/dbraw/zinc/95/51/41/1079955141.db2.gz KRJXTDOMHWFDPA-QFIPXVFZSA-N 1 1 423.557 2.557 20 0 HFADMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000806731119 1079957307 /nfs/dbraw/zinc/95/73/07/1079957307.db2.gz CLHDVXIZJGAHJV-OALUTQOASA-N 1 1 423.557 2.652 20 0 HFADMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000806731119 1079957308 /nfs/dbraw/zinc/95/73/08/1079957308.db2.gz CLHDVXIZJGAHJV-OALUTQOASA-N 1 1 423.557 2.652 20 0 HFADMO COc1cccc(OCCC(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001130732709 1079970305 /nfs/dbraw/zinc/97/03/05/1079970305.db2.gz BBLPISLTHZSYNQ-XZOQPEGZSA-N 1 1 410.514 2.966 20 0 HFADMO CCOC(=O)c1ccc(C(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)nc1C ZINC001130733422 1079972081 /nfs/dbraw/zinc/97/20/81/1079972081.db2.gz QFBLAZFAWSYDQT-FCHUYYIVSA-N 1 1 423.513 2.682 20 0 HFADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)CC1 ZINC000806764753 1079982970 /nfs/dbraw/zinc/98/29/70/1079982970.db2.gz MBRYYWXUXBDNPW-SFHVURJKSA-N 1 1 411.468 2.910 20 0 HFADMO COC(=O)c1cccc(C(=O)Nc2ccc(OCCC[NH+]3CCN(C)CC3)cc2)c1 ZINC001130741949 1080004540 /nfs/dbraw/zinc/00/45/40/1080004540.db2.gz GBTMLXPVSORSJG-UHFFFAOYSA-N 1 1 411.502 2.742 20 0 HFADMO CN1CC[NH+](CCCOc2ccc(NC(=O)CCC(=O)OC(C)(C)C)cc2)CC1 ZINC001130741715 1080004746 /nfs/dbraw/zinc/00/47/46/1080004746.db2.gz CCUOIHXBEUIMIV-UHFFFAOYSA-N 1 1 405.539 2.763 20 0 HFADMO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000806788162 1080010218 /nfs/dbraw/zinc/01/02/18/1080010218.db2.gz DHXJANQMNKIAMZ-YADHBBJMSA-N 1 1 415.578 2.790 20 0 HFADMO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000806811944 1080025712 /nfs/dbraw/zinc/02/57/12/1080025712.db2.gz YVRKBVNURJKWQJ-UXHICEINSA-N 1 1 402.539 2.961 20 0 HFADMO C[NH+]1CCC(Oc2ccc(CNC(=O)NCc3n[nH]c(-c4ccccc4)n3)cc2)CC1 ZINC000806850436 1080035574 /nfs/dbraw/zinc/03/55/74/1080035574.db2.gz PPGITPWOZBKUCM-UHFFFAOYSA-N 1 1 420.517 2.944 20 0 HFADMO C[NH+]1CCC(Oc2ccc(CNC(=O)NCc3nc(-c4ccccc4)n[nH]3)cc2)CC1 ZINC000806850436 1080035582 /nfs/dbraw/zinc/03/55/82/1080035582.db2.gz PPGITPWOZBKUCM-UHFFFAOYSA-N 1 1 420.517 2.944 20 0 HFADMO C[C@@H](CNC(=O)N1CCCC[C@H]1COC(=O)NC1CCCCC1)C[NH+]1CCOCC1 ZINC000806841068 1080054261 /nfs/dbraw/zinc/05/42/61/1080054261.db2.gz WGKOFLXFZDDPBA-ICSRJNTNSA-N 1 1 424.586 2.578 20 0 HFADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806923460 1080091570 /nfs/dbraw/zinc/09/15/70/1080091570.db2.gz KRZBEFDWRPIFHR-LJQANCHMSA-N 1 1 409.530 2.833 20 0 HFADMO C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C(C)(C)O)c2)CC[N@H+]1Cc1ccccc1 ZINC000806924152 1080093381 /nfs/dbraw/zinc/09/33/81/1080093381.db2.gz RDTBBGNJDOVUNY-GOSISDBHSA-N 1 1 409.530 2.976 20 0 HFADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000807006875 1080184217 /nfs/dbraw/zinc/18/42/17/1080184217.db2.gz WWPSGCHQNNAPOT-GOSISDBHSA-N 1 1 409.530 2.976 20 0 HFADMO C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000807010758 1080208886 /nfs/dbraw/zinc/20/88/86/1080208886.db2.gz NLAXQERONVBYIP-HKUYNNGSSA-N 1 1 404.555 2.716 20 0 HFADMO C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000807010758 1080208893 /nfs/dbraw/zinc/20/88/93/1080208893.db2.gz NLAXQERONVBYIP-HKUYNNGSSA-N 1 1 404.555 2.716 20 0 HFADMO CSCC[C@H](C)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000807053576 1080236940 /nfs/dbraw/zinc/23/69/40/1080236940.db2.gz ALHIWUNCXHNOGR-JDFRZJQESA-N 1 1 415.962 2.846 20 0 HFADMO CSCC[C@H](C)NC(=O)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000807053575 1080237034 /nfs/dbraw/zinc/23/70/34/1080237034.db2.gz ALHIWUNCXHNOGR-DXCKQFNASA-N 1 1 415.962 2.846 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000807093973 1080272744 /nfs/dbraw/zinc/27/27/44/1080272744.db2.gz RIHNZONPIDSNIA-LBTNJELSSA-N 1 1 405.461 2.776 20 0 HFADMO COc1ccc(C(=O)N2C[C@H]([NH+](C)C)CCc3ccccc32)cc1S(C)(=O)=O ZINC001130844378 1080280883 /nfs/dbraw/zinc/28/08/83/1080280883.db2.gz XUOYLTRMYMAXSK-QGZVFWFLSA-N 1 1 402.516 2.622 20 0 HFADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(Cl)nc1 ZINC000807112659 1080289860 /nfs/dbraw/zinc/28/98/60/1080289860.db2.gz ACVAVLQGFCNZBG-LPHOPBHVSA-N 1 1 414.937 2.720 20 0 HFADMO Cc1cc([C@H]2CCCN2C(=O)C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000807114415 1080291986 /nfs/dbraw/zinc/29/19/86/1080291986.db2.gz MJDJAXCSCFDCCS-XQTRSNPVSA-N 1 1 424.545 2.919 20 0 HFADMO C[N@@H+]1CCN(C(=O)NC2CCC(O)(c3cccnc3)CC2)C[C@@H]1Cc1ccccc1 ZINC000807123990 1080296190 /nfs/dbraw/zinc/29/61/90/1080296190.db2.gz SHDIMMITWNRAFX-MHIUNMELSA-N 1 1 408.546 2.780 20 0 HFADMO C[N@H+]1CCN(C(=O)NC2CCC(O)(c3cccnc3)CC2)C[C@@H]1Cc1ccccc1 ZINC000807123990 1080296198 /nfs/dbraw/zinc/29/61/98/1080296198.db2.gz SHDIMMITWNRAFX-MHIUNMELSA-N 1 1 408.546 2.780 20 0 HFADMO C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000807171341 1080326616 /nfs/dbraw/zinc/32/66/16/1080326616.db2.gz RPLBKEOGGOSBHX-RRFJBIMHSA-N 1 1 403.832 2.755 20 0 HFADMO C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000807171341 1080326625 /nfs/dbraw/zinc/32/66/25/1080326625.db2.gz RPLBKEOGGOSBHX-RRFJBIMHSA-N 1 1 403.832 2.755 20 0 HFADMO NC(=O)c1ccc(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nc1Cl ZINC000807172611 1080327122 /nfs/dbraw/zinc/32/71/22/1080327122.db2.gz HUIQMYKAKHUSRS-UHFFFAOYSA-N 1 1 412.921 2.962 20 0 HFADMO CNC(=O)CC[C@@H]1CCCCN1C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000807204115 1080350392 /nfs/dbraw/zinc/35/03/92/1080350392.db2.gz VSMOBODFIWLVMX-NZQKXSOJSA-N 1 1 400.567 2.989 20 0 HFADMO COc1cccc([C@H]2[C@@H](NC(=O)c3ccc(C(N)=O)c(Cl)n3)CC[N@H+]2C2CC2)c1 ZINC000807205103 1080351702 /nfs/dbraw/zinc/35/17/02/1080351702.db2.gz AEYRYHVXQRWHSD-WMZOPIPTSA-N 1 1 414.893 2.550 20 0 HFADMO C[C@@H](NC(=O)NCCS(=O)(=O)CCc1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000807211078 1080359004 /nfs/dbraw/zinc/35/90/04/1080359004.db2.gz HYIDBLGZMHGGPS-WIYYLYMNSA-N 1 1 417.575 2.635 20 0 HFADMO Cc1ccccc1[C@@H](O)C1CCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000807182007 1080374694 /nfs/dbraw/zinc/37/46/94/1080374694.db2.gz WBVGVYCQUDRFGY-KNQAVFIVSA-N 1 1 403.567 2.951 20 0 HFADMO CSc1nc(=O)[nH]c(C)c1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000747377733 1080380245 /nfs/dbraw/zinc/38/02/45/1080380245.db2.gz RNKGXPZNTFDTFB-UHFFFAOYSA-N 1 1 407.927 2.870 20 0 HFADMO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC001130895430 1080431787 /nfs/dbraw/zinc/43/17/87/1080431787.db2.gz PKKNWHKYYILZJR-AWEZNQCLSA-N 1 1 415.987 2.973 20 0 HFADMO C[C@H]1CN(C(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC[N@@H+]1CCO ZINC000807288207 1080451524 /nfs/dbraw/zinc/45/15/24/1080451524.db2.gz RQQQMHGYBYLUSU-PKOBYXMFSA-N 1 1 419.566 2.804 20 0 HFADMO C[C@H]1CN(C(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC[N@H+]1CCO ZINC000807288207 1080451530 /nfs/dbraw/zinc/45/15/30/1080451530.db2.gz RQQQMHGYBYLUSU-PKOBYXMFSA-N 1 1 419.566 2.804 20 0 HFADMO COCc1ccc(NC(=O)C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000807355172 1080516375 /nfs/dbraw/zinc/51/63/75/1080516375.db2.gz ODTWCAOSQAVINW-DEOSSOPVSA-N 1 1 407.514 2.896 20 0 HFADMO CN(C)c1ccc(NC(=O)C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000807355747 1080517654 /nfs/dbraw/zinc/51/76/54/1080517654.db2.gz YCKKWYRTFZYZAF-DEOSSOPVSA-N 1 1 406.530 2.816 20 0 HFADMO CCOC(=O)C1=C(Nc2ccnn(CC3CC3)c2=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001170522167 1080519902 /nfs/dbraw/zinc/51/99/02/1080519902.db2.gz AWZAWMHLMUBMRC-UHFFFAOYSA-N 1 1 408.502 2.788 20 0 HFADMO Cc1nc(Br)ccc1NC(=O)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000807413342 1080608845 /nfs/dbraw/zinc/60/88/45/1080608845.db2.gz KVDTWVCANHSDAD-UHFFFAOYSA-N 1 1 423.311 2.665 20 0 HFADMO C[C@@H](NC(=O)C(=O)N(C)C1CCCCCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000807470542 1080652013 /nfs/dbraw/zinc/65/20/13/1080652013.db2.gz PYROKWVWILNCQX-DENIHFKCSA-N 1 1 415.578 2.963 20 0 HFADMO C[C@@H](NC(=O)C(=O)N(C)C1CCCCCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000807470542 1080652018 /nfs/dbraw/zinc/65/20/18/1080652018.db2.gz PYROKWVWILNCQX-DENIHFKCSA-N 1 1 415.578 2.963 20 0 HFADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NCC(F)(F)Br)cc2)C1 ZINC000807446147 1080666818 /nfs/dbraw/zinc/66/68/18/1080666818.db2.gz HZSSKAGLJRYOAP-LBPRGKRZSA-N 1 1 418.282 2.961 20 0 HFADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C(N)=O)c(Cl)n1 ZINC000807484549 1080667551 /nfs/dbraw/zinc/66/75/51/1080667551.db2.gz GYLNWQDYAMTLNV-QGZVFWFLSA-N 1 1 400.910 2.864 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N[C@H](C)c2nccn2-c2ccccc2)cn1 ZINC000807494721 1080688148 /nfs/dbraw/zinc/68/81/48/1080688148.db2.gz LFLPQHYCGRNBOB-OAHLLOKOSA-N 1 1 415.457 2.577 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N[C@@H](C)c2nccn2-c2ccccc2)cn1 ZINC000807494720 1080688267 /nfs/dbraw/zinc/68/82/67/1080688267.db2.gz LFLPQHYCGRNBOB-HNNXBMFYSA-N 1 1 415.457 2.577 20 0 HFADMO C[C@H]1CCN(C(=O)C(=O)NCC[C@@](C)(O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000807496494 1080692615 /nfs/dbraw/zinc/69/26/15/1080692615.db2.gz KTLVFBUWEFVYIF-NBGIEHNGSA-N 1 1 423.557 2.523 20 0 HFADMO CCN(C(=O)C(=O)NCC[C@@](C)(O)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000807502147 1080699895 /nfs/dbraw/zinc/69/98/95/1080699895.db2.gz ZEGATIFBBOVFON-WIOPSUGQSA-N 1 1 423.557 2.523 20 0 HFADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)Nc3ccc(C4(O)COC4)cc3)cc2)C1 ZINC000807532108 1080745024 /nfs/dbraw/zinc/74/50/24/1080745024.db2.gz WHWHDUKRHBDICX-KRWDZBQOSA-N 1 1 423.513 2.714 20 0 HFADMO COC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000807544740 1080761487 /nfs/dbraw/zinc/76/14/87/1080761487.db2.gz ZWCDEJFDHURVDB-BEFAXECRSA-N 1 1 410.474 2.583 20 0 HFADMO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000807547008 1080762922 /nfs/dbraw/zinc/76/29/22/1080762922.db2.gz VKSRMJXREMJHMG-VJBMBRPKSA-N 1 1 423.557 2.514 20 0 HFADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)COCc3ccccn3)CC2)c1C ZINC000807583219 1080795057 /nfs/dbraw/zinc/79/50/57/1080795057.db2.gz NGPNGFUBRODNJW-UHFFFAOYSA-N 1 1 412.534 2.742 20 0 HFADMO COC[C@@]1(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCN1C(=O)OC(C)(C)C ZINC000807554637 1080805564 /nfs/dbraw/zinc/80/55/64/1080805564.db2.gz YPKNCUMKKXEXIJ-QOPFVKLFSA-N 1 1 424.586 2.669 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000807558718 1080813141 /nfs/dbraw/zinc/81/31/41/1080813141.db2.gz GBXNYOPIJLITSJ-INIZCTEOSA-N 1 1 402.926 2.686 20 0 HFADMO CCO[C@@H](C)c1noc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC001196105373 1126153510 /nfs/dbraw/zinc/15/35/10/1126153510.db2.gz VJEYPRJJPAJGAN-SGTLLEGYSA-N 1 1 410.312 2.939 20 0 HFADMO CCO[C@@H](C)c1noc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC001196105371 1126153549 /nfs/dbraw/zinc/15/35/49/1126153549.db2.gz VJEYPRJJPAJGAN-KPZWWZAWSA-N 1 1 410.312 2.939 20 0 HFADMO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC001560183669 1126209514 /nfs/dbraw/zinc/20/95/14/1126209514.db2.gz VKWNQKQXFNMGTB-OAQYLSRUSA-N 1 1 418.490 2.968 20 0 HFADMO CN1c2cnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc2N2CCC[C@H]2C1=O ZINC001164629488 719079530 /nfs/dbraw/zinc/07/95/30/719079530.db2.gz XUAFIUHDNIHGSG-DYXWJJEUSA-N 1 1 418.545 2.523 20 0 HFADMO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)cc4cc(C)ccc43)CC2)C1=O ZINC001164640188 719277859 /nfs/dbraw/zinc/27/78/59/719277859.db2.gz OPHKDJQXVJSFRH-UHFFFAOYSA-N 1 1 416.953 2.956 20 0 HFADMO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)cc4cc(C)ccc43)CC2)C1=O ZINC001164640188 719277868 /nfs/dbraw/zinc/27/78/68/719277868.db2.gz OPHKDJQXVJSFRH-UHFFFAOYSA-N 1 1 416.953 2.956 20 0 HFADMO C[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3ccn4COCC[Si](C)(C)C)C[C@H]21 ZINC001164671542 719411638 /nfs/dbraw/zinc/41/16/38/719411638.db2.gz QEQHRFBMCZIKMS-CVEARBPZSA-N 1 1 424.021 2.916 20 0 HFADMO Cc1sc2nc(CN3CCCCC3)nc(N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)c2c1C ZINC001164666449 719442042 /nfs/dbraw/zinc/44/20/42/719442042.db2.gz CLSCISJIEJEFEJ-IAGOWNOFSA-N 1 1 401.580 2.813 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(-c3c(F)cccc3F)nn1)CC2 ZINC001164689906 719748751 /nfs/dbraw/zinc/74/87/51/719748751.db2.gz OIRPYAKRDFRADR-UHFFFAOYSA-N 1 1 401.461 2.603 20 0 HFADMO CNC(=O)C[N@@H+]1CCCC12CCN(C(Cl)(Cl)Oc1ccc(Cl)nc1)CC2 ZINC001164691649 719756144 /nfs/dbraw/zinc/75/61/44/719756144.db2.gz POPHLLJXKWDKRR-UHFFFAOYSA-N 1 1 421.756 2.879 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(C(Cl)(Cl)Oc1ccc(Cl)nc1)CC2 ZINC001164691649 719756157 /nfs/dbraw/zinc/75/61/57/719756157.db2.gz POPHLLJXKWDKRR-UHFFFAOYSA-N 1 1 421.756 2.879 20 0 HFADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2sc(C)c(C)c21 ZINC001164698658 719843535 /nfs/dbraw/zinc/84/35/35/719843535.db2.gz GPTRYTOWMMBCFC-YWZLYKJASA-N 1 1 404.536 2.541 20 0 HFADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c(C)cccc21 ZINC001164704579 719848876 /nfs/dbraw/zinc/84/88/76/719848876.db2.gz RWCYMTGBYRGVGM-VFNWGFHPSA-N 1 1 418.925 2.824 20 0 HFADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)c2cccc(C)c21 ZINC001164701131 719852756 /nfs/dbraw/zinc/85/27/56/719852756.db2.gz JPGFQQNHZZMEAE-BTYIYWSLSA-N 1 1 418.925 2.824 20 0 HFADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2cccc(C)c21 ZINC001164705988 719862498 /nfs/dbraw/zinc/86/24/98/719862498.db2.gz VUNQCDYBQMRCNB-YCRPNKLZSA-N 1 1 418.925 2.824 20 0 HFADMO COC(=O)c1cc(OC)cnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164695292 719889781 /nfs/dbraw/zinc/88/97/81/719889781.db2.gz LQYKISSCLWEMDJ-UHFFFAOYSA-N 1 1 417.531 2.810 20 0 HFADMO CCOC(=O)c1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1C ZINC001164694600 719891235 /nfs/dbraw/zinc/89/12/35/719891235.db2.gz AUPBUJFRSXJKHE-UHFFFAOYSA-N 1 1 416.547 2.895 20 0 HFADMO CCOC(=O)c1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1C ZINC001164694600 719891237 /nfs/dbraw/zinc/89/12/37/719891237.db2.gz AUPBUJFRSXJKHE-UHFFFAOYSA-N 1 1 416.547 2.895 20 0 HFADMO O=C1NCc2c1cc(Cl)nc2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164697508 719894393 /nfs/dbraw/zinc/89/43/93/719894393.db2.gz KGCLFIDIGOTWEV-UHFFFAOYSA-N 1 1 418.950 2.911 20 0 HFADMO Cc1cn(-c2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nn2)cn1 ZINC001164698451 719895715 /nfs/dbraw/zinc/89/57/15/719895715.db2.gz TYFFALCSNUDCFJ-UHFFFAOYSA-N 1 1 410.547 2.904 20 0 HFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c1ccn3C)CC2 ZINC001164711537 720103473 /nfs/dbraw/zinc/10/34/73/720103473.db2.gz QQBXOTGLUJGJMF-IBGZPJMESA-N 1 1 406.534 2.871 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cnc3cc(OC)c(OC)cc3n1)C2 ZINC001164807036 720108927 /nfs/dbraw/zinc/10/89/27/720108927.db2.gz ANAWYHMUBUACED-UZUQRXQVSA-N 1 1 412.534 2.832 20 0 HFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3ncsc3n1)CC2 ZINC001164714286 720126444 /nfs/dbraw/zinc/12/64/44/720126444.db2.gz BLDKQOXERQGNOQ-KRWDZBQOSA-N 1 1 410.547 2.989 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3cnccc3cc1C(=O)OC)C2 ZINC001164816524 720126998 /nfs/dbraw/zinc/12/69/98/720126998.db2.gz ZUSMJNRBXWJVLP-WZONZLPQSA-N 1 1 410.518 2.601 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(OC)nc(-c3ccccc3)n1)C2 ZINC001164809629 720134322 /nfs/dbraw/zinc/13/43/22/720134322.db2.gz HSVDSCKWAGUUEG-WMZHIEFXSA-N 1 1 409.534 2.732 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3nc(SC)sc31)C2 ZINC001164809710 720146104 /nfs/dbraw/zinc/14/61/04/720146104.db2.gz IJUCCVHRTNGWLM-IFXJQAMLSA-N 1 1 405.593 2.993 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1nc(C)n3C)C2 ZINC001164819434 720158227 /nfs/dbraw/zinc/15/82/27/720158227.db2.gz XBBPTUAKNKDTFL-MGPUTAFESA-N 1 1 404.946 2.510 20 0 HFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3ccccc3)nn1)CCC2 ZINC001164810213 720214415 /nfs/dbraw/zinc/21/44/15/720214415.db2.gz AMKQGOLVPLYGMR-UHFFFAOYSA-N 1 1 404.518 2.951 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4ccc(Cl)cc4n3)C2)C1 ZINC001164720175 720264001 /nfs/dbraw/zinc/26/40/01/720264001.db2.gz RTIQBTROXIMYKK-OAQYLSRUSA-N 1 1 402.926 2.553 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc4ccc(Cl)cc4n3)C2)C1 ZINC001164720175 720264003 /nfs/dbraw/zinc/26/40/03/720264003.db2.gz RTIQBTROXIMYKK-OAQYLSRUSA-N 1 1 402.926 2.553 20 0 HFADMO CNC(=O)CN1CCOC[C@]2(CCCN(c3cc(C)c4ccc(C)c(C)c4[nH+]3)C2)C1 ZINC001164724000 720289247 /nfs/dbraw/zinc/28/92/47/720289247.db2.gz ZCJAYTVCOIDMAG-XMMPIXPASA-N 1 1 410.562 2.825 20 0 HFADMO COC(=O)c1cc2c(OC)[nH]c(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)cc-2n1 ZINC001164731049 720379115 /nfs/dbraw/zinc/37/91/15/720379115.db2.gz YKQPFASDHFQXOC-RBUKOAKNSA-N 1 1 407.474 2.606 20 0 HFADMO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164725821 720419254 /nfs/dbraw/zinc/41/92/54/720419254.db2.gz BAKIIIFFDWWEPG-WEPWYQGCSA-N 1 1 403.486 2.997 20 0 HFADMO CC(C)N1Cc2c(nc(Cl)nc2N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)C1=O ZINC001164726379 720426906 /nfs/dbraw/zinc/42/69/06/720426906.db2.gz BVMFOASFKHLGRK-DLBZAZTESA-N 1 1 412.925 2.742 20 0 HFADMO COc1nc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc(N2CCCCCC2)n1 ZINC001164734463 720432696 /nfs/dbraw/zinc/43/26/96/720432696.db2.gz SFKNZKBPEWOWHZ-RTBURBONSA-N 1 1 409.538 2.509 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncccc3C(=O)N3CCCC3)CC[C@@H]21 ZINC001164840617 720506469 /nfs/dbraw/zinc/50/64/69/720506469.db2.gz WWOPXMGMPDEXAU-ONTIZHBOSA-N 1 1 422.577 2.892 20 0 HFADMO CC(C)n1cnc2cnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc21 ZINC001164837223 720608074 /nfs/dbraw/zinc/60/80/74/720608074.db2.gz HRGKTIIXEKXQEJ-CMKODMSKSA-N 1 1 408.554 2.982 20 0 HFADMO COC(=O)c1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ncc1N ZINC001164844829 720678144 /nfs/dbraw/zinc/67/81/44/720678144.db2.gz VEQWYXCYSVKGDT-SFHVURJKSA-N 1 1 410.518 2.710 20 0 HFADMO Clc1nc2c(c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n1)CCCCC2 ZINC001164740628 720687844 /nfs/dbraw/zinc/68/78/44/720687844.db2.gz REFJJAXGGDAHKR-HUUCEWRRSA-N 1 1 400.914 2.531 20 0 HFADMO C[C@@H]1C(=O)Nc2ncnc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c21 ZINC001164843343 720695951 /nfs/dbraw/zinc/69/59/51/720695951.db2.gz OFQDNRDEOSAUOG-WMZOPIPTSA-N 1 1 407.518 2.792 20 0 HFADMO Clc1ncc(-c2ccccc2)c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164737576 720701628 /nfs/dbraw/zinc/70/16/28/720701628.db2.gz GJBFLGKVYKCXTM-IRXDYDNUSA-N 1 1 408.893 2.929 20 0 HFADMO Cc1nc2c3ccccc3oc2c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164739492 720726109 /nfs/dbraw/zinc/72/61/09/720726109.db2.gz IYABVENGAJURBR-HOTGVXAUSA-N 1 1 402.458 2.816 20 0 HFADMO Fc1cccc(Oc2cncc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)c1 ZINC001164739428 720734320 /nfs/dbraw/zinc/73/43/20/720734320.db2.gz IOTYLPKFXAUJMZ-SJLPKXTDSA-N 1 1 408.437 2.540 20 0 HFADMO Cc1ccc(C)c(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)c1 ZINC001164741147 720773739 /nfs/dbraw/zinc/77/37/39/720773739.db2.gz MJSXQVCMJXQPGQ-RTBURBONSA-N 1 1 402.502 2.892 20 0 HFADMO Fc1cc2ncc(Cl)nc2cc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742907 720778068 /nfs/dbraw/zinc/77/80/68/720778068.db2.gz PIURJATZYRTHBU-OLZOCXBDSA-N 1 1 400.845 2.554 20 0 HFADMO Fc1ccc2c(Cl)nnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164748303 720791697 /nfs/dbraw/zinc/79/16/97/720791697.db2.gz QNPKPPMBMQQWAK-UONOGXRCSA-N 1 1 400.845 2.554 20 0 HFADMO c1ccc(CSc2ccnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164746698 720798609 /nfs/dbraw/zinc/79/86/09/720798609.db2.gz MQJYXACDJXPHPZ-OALUTQOASA-N 1 1 420.542 2.901 20 0 HFADMO Cc1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164747536 720800225 /nfs/dbraw/zinc/80/02/25/720800225.db2.gz OOTNTYYLUVPAJJ-IRXDYDNUSA-N 1 1 423.908 2.632 20 0 HFADMO Cc1cc(-c2cccc(F)c2)nnc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164749277 720801679 /nfs/dbraw/zinc/80/16/79/720801679.db2.gz SXTWWNSCOLYWPK-MOPGFXCFSA-N 1 1 406.465 2.723 20 0 HFADMO Clc1ncnc2[nH]cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c21 ZINC001164745524 720814860 /nfs/dbraw/zinc/81/48/60/720814860.db2.gz KROJOIMNSWALLY-OWCLPIDISA-N 1 1 412.929 2.534 20 0 HFADMO Fc1ccc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164752079 720815024 /nfs/dbraw/zinc/81/50/24/720815024.db2.gz YOBWCKPYXBVGNM-DJPFJPOOSA-N 1 1 407.497 2.740 20 0 HFADMO COc1nc2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740293 720818705 /nfs/dbraw/zinc/81/87/05/720818705.db2.gz KBGWWJFCCMEIHB-BBTUJRGHSA-N 1 1 419.533 2.609 20 0 HFADMO Fc1ccc2ncc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1 ZINC001164738790 720824388 /nfs/dbraw/zinc/82/43/88/720824388.db2.gz GRLUQMSHCAVTGO-DJPFJPOOSA-N 1 1 407.497 2.740 20 0 HFADMO COc1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164738362 720824938 /nfs/dbraw/zinc/82/49/38/720824938.db2.gz FBJGZRUTBADZAD-JFIYKMOQSA-N 1 1 402.930 2.715 20 0 HFADMO COc1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164738364 720825155 /nfs/dbraw/zinc/82/51/55/720825155.db2.gz FBJGZRUTBADZAD-SOLBZPMBSA-N 1 1 402.930 2.715 20 0 HFADMO Cc1cccc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164738443 720831447 /nfs/dbraw/zinc/83/14/47/720831447.db2.gz FUESXBRMGZCFMM-SFHLNBCPSA-N 1 1 403.534 2.909 20 0 HFADMO CSc1cnc(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744494 720831494 /nfs/dbraw/zinc/83/14/94/720831494.db2.gz URGGQPSQXJQYKJ-OWCLPIDISA-N 1 1 419.986 2.823 20 0 HFADMO COc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1Cl ZINC001164751843 720841043 /nfs/dbraw/zinc/84/10/43/720841043.db2.gz ZDUHATVSYJFMHE-LZLYRXPVSA-N 1 1 402.930 2.715 20 0 HFADMO Fc1cnc2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1 ZINC001164745240 720842385 /nfs/dbraw/zinc/84/23/85/720842385.db2.gz NBFFSRRYOVTPLG-HGHGUNKESA-N 1 1 407.497 2.740 20 0 HFADMO FC(F)(c1nccnc1Cl)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743623 720842880 /nfs/dbraw/zinc/84/28/80/720842880.db2.gz JQHFXFZMCLEYEX-HRCADAONSA-N 1 1 423.899 2.646 20 0 HFADMO Cc1csc2cnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc12 ZINC001164741684 720843095 /nfs/dbraw/zinc/84/30/95/720843095.db2.gz FNLHQICGCZNXAL-KZNAEPCWSA-N 1 1 409.563 2.971 20 0 HFADMO COc1cccc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c21 ZINC001164744751 720849172 /nfs/dbraw/zinc/84/91/72/720849172.db2.gz LPBXQASSUNIXSI-QWFCFKBJSA-N 1 1 419.533 2.609 20 0 HFADMO c1coc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)c1 ZINC001164751129 720851838 /nfs/dbraw/zinc/85/18/38/720851838.db2.gz QGEYEIJNTXMTHY-NLWGTHIKSA-N 1 1 405.506 2.708 20 0 HFADMO Cc1cc2cccnc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164748868 720854267 /nfs/dbraw/zinc/85/42/67/720854267.db2.gz MTMKDBXNSMJYDQ-PCCBWWKXSA-N 1 1 403.534 2.909 20 0 HFADMO COc1ccnc(Cl)c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751158 720854698 /nfs/dbraw/zinc/85/46/98/720854698.db2.gz QMPGCVNHMSLMSU-BRWVUGGUSA-N 1 1 402.930 2.715 20 0 HFADMO C[C@@H]1CCc2nnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc2C1 ZINC001164744609 720855427 /nfs/dbraw/zinc/85/54/27/720855427.db2.gz BXHNMKGDZCURLB-MOFCZTIZSA-N 1 1 407.566 2.572 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3cc(C(=O)Nc4ccccc4)ccn3)CC[C@@H]2C1 ZINC001164852009 720857841 /nfs/dbraw/zinc/85/78/41/720857841.db2.gz BOURMVXOALZPMU-CTNGQTDRSA-N 1 1 410.518 2.507 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c(Cl)nccc43)CC[C@@H]2C1 ZINC001164859986 720872786 /nfs/dbraw/zinc/87/27/86/720872786.db2.gz NUDLUBPMYQQOQG-OCCSQVGLSA-N 1 1 412.321 2.505 20 0 HFADMO CN(C)c1nccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753854 720884353 /nfs/dbraw/zinc/88/43/53/720884353.db2.gz HIZVVQPZEOFUAQ-QPPBQGQZSA-N 1 1 422.577 2.693 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(C)cc(OCc4ccccc4)n3)CC[C@H]2C1 ZINC001164858572 720885337 /nfs/dbraw/zinc/88/53/37/720885337.db2.gz LFJCKYKCQWBVMH-LEWJYISDSA-N 1 1 412.534 2.538 20 0 HFADMO Fc1c[nH]c2nc(Cl)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164866095 721044602 /nfs/dbraw/zinc/04/46/02/721044602.db2.gz CSFLFLVQTSOXFC-UONOGXRCSA-N 1 1 402.861 2.625 20 0 HFADMO CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001164762513 721071033 /nfs/dbraw/zinc/07/10/33/721071033.db2.gz FDHBFXMFBURIBS-RDJZCZTQSA-N 1 1 403.914 2.604 20 0 HFADMO COc1cc2ncc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2cc1OC ZINC001164867371 721082448 /nfs/dbraw/zinc/08/24/48/721082448.db2.gz YEXIVFMABDLYHR-MSOLQXFVSA-N 1 1 421.501 2.522 20 0 HFADMO c1ccc(COc2ccnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164864033 721086623 /nfs/dbraw/zinc/08/66/23/721086623.db2.gz DNPNUIGTRIOHJE-YADHBBJMSA-N 1 1 417.513 2.930 20 0 HFADMO CC(C)(C)OC(=O)c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164865648 721087077 /nfs/dbraw/zinc/08/70/77/721087077.db2.gz NWDOVYSWAKSQNM-VQTJNVASSA-N 1 1 410.518 2.912 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4CSCC5)C[C@@H]3C2)cn1 ZINC001164763696 721087169 /nfs/dbraw/zinc/08/71/69/721087169.db2.gz GRIWMYBOSWYPJO-CABCVRRESA-N 1 1 404.971 2.611 20 0 HFADMO COc1ccc2nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc(C)c2c1 ZINC001164864670 721103818 /nfs/dbraw/zinc/10/38/18/721103818.db2.gz GNUDMWMKGFOJHW-QUCCMNQESA-N 1 1 405.502 2.822 20 0 HFADMO CSc1nc2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2s1 ZINC001164863343 721116084 /nfs/dbraw/zinc/11/60/84/721116084.db2.gz BZHHWAQQQIXZSI-LSDHHAIUSA-N 1 1 414.560 2.683 20 0 HFADMO Nc1cc(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)cnc1Cl ZINC001164879023 721132315 /nfs/dbraw/zinc/13/23/15/721132315.db2.gz RLCSTXVSHVRIAY-HOTGVXAUSA-N 1 1 409.868 2.737 20 0 HFADMO C=Cc1nc(Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1OC ZINC001164873661 721134498 /nfs/dbraw/zinc/13/44/98/721134498.db2.gz JWHKUJQEBRRSNQ-HZPDHXFCSA-N 1 1 401.898 2.656 20 0 HFADMO Cc1nc(C(F)(F)N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(Cl)c1C ZINC001164766519 721160348 /nfs/dbraw/zinc/16/03/48/721160348.db2.gz LVUTWZJGUHTVTB-HZPDHXFCSA-N 1 1 410.900 2.984 20 0 HFADMO c1ccc(Cc2nccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164880329 721160523 /nfs/dbraw/zinc/16/05/23/721160523.db2.gz VYUPBXJVGLFCPN-FCHUYYIVSA-N 1 1 401.514 2.942 20 0 HFADMO COc1cccc(Oc2cncc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)c1 ZINC001164765089 721169542 /nfs/dbraw/zinc/16/95/42/721169542.db2.gz HRIWUMAQJDNHTM-RTBURBONSA-N 1 1 420.517 2.969 20 0 HFADMO CC(C)n1cnc2c1nc(Cl)nc2N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164763409 721172610 /nfs/dbraw/zinc/17/26/10/721172610.db2.gz FVHHGPSHEUJJBL-HZPDHXFCSA-N 1 1 414.945 2.752 20 0 HFADMO c1cncc(CO[C@H]2C[C@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CC[N@H+]3C2)c1 ZINC001164877021 721175038 /nfs/dbraw/zinc/17/50/38/721175038.db2.gz NYRYRBCZNHKSTJ-PMACEKPBSA-N 1 1 418.501 2.884 20 0 HFADMO C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2)C1 ZINC001164769394 721196429 /nfs/dbraw/zinc/19/64/29/721196429.db2.gz MFFUUSJVAPAYIA-STZQEDGTSA-N 1 1 422.577 2.646 20 0 HFADMO CC1CCN(C(=O)c2cccnc2N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)CC1 ZINC001164762014 721197480 /nfs/dbraw/zinc/19/74/80/721197480.db2.gz BWGUPPDVXOLJRH-LEWJYISDSA-N 1 1 422.577 2.646 20 0 HFADMO COc1ccccc1-c1ccnc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164761444 721209262 /nfs/dbraw/zinc/20/92/62/721209262.db2.gz BAHPIWODYGENPC-RTBURBONSA-N 1 1 404.518 2.844 20 0 HFADMO COC(=O)c1cc2ccccc2c(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164770921 721209719 /nfs/dbraw/zinc/20/97/19/721209719.db2.gz PFMXOMYEDDAFDJ-RTBURBONSA-N 1 1 405.502 2.713 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5c4ncn5-c4ccccc4)C[C@@H]3C2)cn1 ZINC001164761902 721228926 /nfs/dbraw/zinc/22/89/26/721228926.db2.gz JZWGFWJBJBENGD-MOPGFXCFSA-N 1 1 414.517 2.507 20 0 HFADMO COc1cc2nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)ccc2c(OC)c1 ZINC001164768088 721234283 /nfs/dbraw/zinc/23/42/83/721234283.db2.gz XVZICBHFMKWMEA-ROUUACIJSA-N 1 1 407.518 2.944 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4cccnc43)C2)C1 ZINC001164777737 721337766 /nfs/dbraw/zinc/33/77/66/721337766.db2.gz PWSZPPLUFZOIAQ-QFIPXVFZSA-N 1 1 408.506 2.749 20 0 HFADMO CCOc1cnc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164779378 721344332 /nfs/dbraw/zinc/34/43/32/721344332.db2.gz SVCHUNBCQMRHMN-OAQYLSRUSA-N 1 1 401.511 2.599 20 0 HFADMO CCOc1cnc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164779378 721344335 /nfs/dbraw/zinc/34/43/35/721344335.db2.gz SVCHUNBCQMRHMN-OAQYLSRUSA-N 1 1 401.511 2.599 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(-c4nnco4)ccn3)C2)C1 ZINC001164785008 721368742 /nfs/dbraw/zinc/36/87/42/721368742.db2.gz RSPPISRFZPGWNJ-QFIPXVFZSA-N 1 1 424.505 2.855 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(-c4nnco4)ccn3)C2)C1 ZINC001164785008 721368745 /nfs/dbraw/zinc/36/87/45/721368745.db2.gz RSPPISRFZPGWNJ-QFIPXVFZSA-N 1 1 424.505 2.855 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)ncc4Cl)C3)O2)CC1 ZINC001164888510 721385333 /nfs/dbraw/zinc/38/53/33/721385333.db2.gz JPXUIZBMLTUWMW-RDTXWAMCSA-N 1 1 400.354 2.549 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4CSC5)C3)O2)CC1 ZINC001164886336 721399755 /nfs/dbraw/zinc/39/97/55/721399755.db2.gz FGTQHXVPARTDOM-MGPUTAFESA-N 1 1 424.014 2.642 20 0 HFADMO CCOc1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164889915 721408963 /nfs/dbraw/zinc/40/89/63/721408963.db2.gz RVOVGLWRUZTXLG-UTKZUKDTSA-N 1 1 408.974 2.899 20 0 HFADMO CCOC(=O)c1cc2cccnc2nc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164784002 721409622 /nfs/dbraw/zinc/40/96/22/721409622.db2.gz JTHPLIVJMMPSSF-IYBDPMFKSA-N 1 1 409.515 2.831 20 0 HFADMO CCOC(=O)c1cc2cccnc2nc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164784002 721409626 /nfs/dbraw/zinc/40/96/26/721409626.db2.gz JTHPLIVJMMPSSF-IYBDPMFKSA-N 1 1 409.515 2.831 20 0 HFADMO Cc1cc2ncnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2s1 ZINC001164889573 721428394 /nfs/dbraw/zinc/42/83/94/721428394.db2.gz BUILMXJXPHKTSK-LAUBAEHRSA-N 1 1 401.580 2.765 20 0 HFADMO CC(C)COc1cccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164897780 721428703 /nfs/dbraw/zinc/42/87/03/721428703.db2.gz URUNZTGJWCOVIM-REWPJTCUSA-N 1 1 402.583 2.882 20 0 HFADMO Cc1cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(-c2ccncc2)n1 ZINC001164896106 721432304 /nfs/dbraw/zinc/43/23/04/721432304.db2.gz QNGVIJNYBBHLAT-QPPBQGQZSA-N 1 1 422.577 2.612 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(-c5ccccc5)ncn4)C3)O2)CC1 ZINC001164896420 721432628 /nfs/dbraw/zinc/43/26/28/721432628.db2.gz RIHAZNBWEHNYNW-QPPBQGQZSA-N 1 1 407.562 2.909 20 0 HFADMO Cc1cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(C(C)(C)C)n1 ZINC001164898417 721438868 /nfs/dbraw/zinc/43/88/68/721438868.db2.gz VYOAQPOURFOFJD-XXBNENTESA-N 1 1 401.599 2.848 20 0 HFADMO CCCSc1cncc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164893689 721440001 /nfs/dbraw/zinc/44/00/01/721440001.db2.gz JYUSHUCPSNRPDL-NQIIRXRSSA-N 1 1 405.612 2.744 20 0 HFADMO Cc1nc(-c2ccncc2)cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164896715 721440705 /nfs/dbraw/zinc/44/07/05/721440705.db2.gz RUVAPWGOCJIISZ-ZJSXRUAMSA-N 1 1 422.577 2.612 20 0 HFADMO CCOc1ccc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)nn1 ZINC001164787702 721451289 /nfs/dbraw/zinc/45/12/89/721451289.db2.gz PRNVVALCKGTLGD-LJQANCHMSA-N 1 1 404.555 2.609 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(SC)ncn1)CC2 ZINC001164790427 721453550 /nfs/dbraw/zinc/45/35/50/721453550.db2.gz YZHGZULBDFCRGE-SFHVURJKSA-N 1 1 406.596 2.932 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(C5CCC5)nc5[nH]ccc54)C3)O2)CC1 ZINC001164892804 721453618 /nfs/dbraw/zinc/45/36/18/721453618.db2.gz YHTWZURRMXIGDG-NTKDMRAZSA-N 1 1 424.593 2.991 20 0 HFADMO O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@H](CCN2c2nc(Cl)ccc2C[NH+]2CCCC2)O1 ZINC001164890834 721457728 /nfs/dbraw/zinc/45/77/28/721457728.db2.gz SRLCVLXHXIINJJ-SQNIBIBYSA-N 1 1 404.942 2.593 20 0 HFADMO CCOc1cc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)ncn1 ZINC001164790598 721467564 /nfs/dbraw/zinc/46/75/64/721467564.db2.gz RVDXFPCTYIWAGV-IBGZPJMESA-N 1 1 404.555 2.609 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3c(nn1)CCC3)CC2 ZINC001164791239 721470968 /nfs/dbraw/zinc/47/09/68/721470968.db2.gz VSLZVBXRLZXKAP-FQEVSTJZSA-N 1 1 400.567 2.699 20 0 HFADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c1NC(=O)CS3)CC2 ZINC001164797035 721503937 /nfs/dbraw/zinc/50/39/37/721503937.db2.gz XUBZPHANYDNVRJ-UHFFFAOYSA-N 1 1 410.547 2.797 20 0 HFADMO Cc1cc(N2CCCC2)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164796189 721523212 /nfs/dbraw/zinc/52/32/12/721523212.db2.gz XQCVKAJWXNEDMU-JAXLGGSGSA-N 1 1 408.550 2.648 20 0 HFADMO Cc1cc(N2CCCC2)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164796189 721523214 /nfs/dbraw/zinc/52/32/14/721523214.db2.gz XQCVKAJWXNEDMU-JAXLGGSGSA-N 1 1 408.550 2.648 20 0 HFADMO Cc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1NCC1CC1 ZINC001164796514 721524024 /nfs/dbraw/zinc/52/40/24/721524024.db2.gz ZKFXXRUJZKWJAO-HKBOAZHASA-N 1 1 408.550 2.870 20 0 HFADMO Cc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1NCC1CC1 ZINC001164796514 721524027 /nfs/dbraw/zinc/52/40/27/721524027.db2.gz ZKFXXRUJZKWJAO-HKBOAZHASA-N 1 1 408.550 2.870 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nccc(Cl)n2)[C@@H]2CCCO[C@@H]12 ZINC001164804572 721532974 /nfs/dbraw/zinc/53/29/74/721532974.db2.gz KLIOOCSOGBGAIJ-BFYDXBDKSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nccc(Cl)n2)[C@@H]2CCCO[C@@H]12 ZINC001164804572 721532978 /nfs/dbraw/zinc/53/29/78/721532978.db2.gz KLIOOCSOGBGAIJ-BFYDXBDKSA-N 1 1 409.868 2.938 20 0 HFADMO COc1nc2ccccc2nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164802549 721540112 /nfs/dbraw/zinc/54/01/12/721540112.db2.gz GZPIJNHEQABVPH-HKBOAZHASA-N 1 1 405.502 2.902 20 0 HFADMO COc1nc2ccccc2nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164802549 721540113 /nfs/dbraw/zinc/54/01/13/721540113.db2.gz GZPIJNHEQABVPH-HKBOAZHASA-N 1 1 405.502 2.902 20 0 HFADMO CC(C)(C)OC(=O)c1ccnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164903422 721540746 /nfs/dbraw/zinc/54/07/46/721540746.db2.gz CLEWJYVAGMOJGQ-WMZOPIPTSA-N 1 1 414.481 2.913 20 0 HFADMO CCOc1nc(Cl)cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164807838 721543879 /nfs/dbraw/zinc/54/38/79/721543879.db2.gz RNIYIMDVCLITSU-GJYPPUQNSA-N 1 1 403.914 2.792 20 0 HFADMO CCOc1nc(Cl)cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164807838 721543883 /nfs/dbraw/zinc/54/38/83/721543883.db2.gz RNIYIMDVCLITSU-GJYPPUQNSA-N 1 1 403.914 2.792 20 0 HFADMO COC(=O)c1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ccc1Cl ZINC001164806622 721552235 /nfs/dbraw/zinc/55/22/35/721552235.db2.gz PIGIVJNNFAEYMV-FUHIMQAGSA-N 1 1 416.909 2.785 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(NC(=O)C(C)(C)C)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164799568 721553690 /nfs/dbraw/zinc/55/36/90/721553690.db2.gz CNJPKFYTZSQGKL-DBXWQHBBSA-N 1 1 424.549 2.724 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(NC(=O)C(C)(C)C)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164799568 721553691 /nfs/dbraw/zinc/55/36/91/721553691.db2.gz CNJPKFYTZSQGKL-DBXWQHBBSA-N 1 1 424.549 2.724 20 0 HFADMO COc1c(Cl)nc(C)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164806785 721554481 /nfs/dbraw/zinc/55/44/81/721554481.db2.gz RSVDQFZVNKMOJV-IKGGRYGDSA-N 1 1 403.914 2.710 20 0 HFADMO COc1c(Cl)nc(C)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164806785 721554485 /nfs/dbraw/zinc/55/44/85/721554485.db2.gz RSVDQFZVNKMOJV-IKGGRYGDSA-N 1 1 403.914 2.710 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)NC(C)(C)C)cn2)[C@H]2CCCO[C@@H]12 ZINC001164807910 721555177 /nfs/dbraw/zinc/55/51/77/721555177.db2.gz UAXKBUWLRFDRMY-TUNNFDKTSA-N 1 1 423.561 2.873 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(=O)NC(C)(C)C)ccn2)[C@H]2CCCO[C@@H]12 ZINC001164801392 721569161 /nfs/dbraw/zinc/56/91/61/721569161.db2.gz GLZQBQDOKPRWCL-TUNNFDKTSA-N 1 1 423.561 2.873 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCCCC3)ncn2)[C@@H]2CCCO[C@@H]12 ZINC001164803941 721576104 /nfs/dbraw/zinc/57/61/04/721576104.db2.gz JWNYKBQEFPXFHD-TXTKFYIRSA-N 1 1 408.550 2.730 20 0 HFADMO CC(C)n1cnc2cnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc21 ZINC001164800065 721579059 /nfs/dbraw/zinc/57/90/59/721579059.db2.gz BNTSUCSCNROQLE-SLFFLAALSA-N 1 1 407.522 2.670 20 0 HFADMO CC(C)n1cnc2cnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc21 ZINC001164800065 721579061 /nfs/dbraw/zinc/57/90/61/721579061.db2.gz BNTSUCSCNROQLE-SLFFLAALSA-N 1 1 407.522 2.670 20 0 HFADMO CN(Cc1cccnc1)[C@H]1CN(c2ccc(C[N@H+](C)C3CC3)cn2)[C@@H]2CCCO[C@H]21 ZINC001164812233 721583179 /nfs/dbraw/zinc/58/31/79/721583179.db2.gz ZRBSUOZLEQKNED-AOHZBQACSA-N 1 1 407.562 2.939 20 0 HFADMO CN(Cc1cccnc1)[C@H]1CN(c2ccc(C[N@@H+](C)C3CC3)cn2)[C@@H]2CCCO[C@H]21 ZINC001164812233 721583183 /nfs/dbraw/zinc/58/31/83/721583183.db2.gz ZRBSUOZLEQKNED-AOHZBQACSA-N 1 1 407.562 2.939 20 0 HFADMO NC(=O)c1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1Cl ZINC001164904764 721586211 /nfs/dbraw/zinc/58/62/11/721586211.db2.gz GEZUKXZWXAWQCX-LJQANCHMSA-N 1 1 421.879 2.967 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc[n+]([O-])c(Cl)c2)[C@H]2CCCO[C@H]12 ZINC001164809492 721591257 /nfs/dbraw/zinc/59/12/57/721591257.db2.gz SOVYINZANJDOQO-SCTDSRPQSA-N 1 1 424.879 2.782 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc[n+]([O-])c(Cl)c2)[C@H]2CCCO[C@H]12 ZINC001164809492 721591261 /nfs/dbraw/zinc/59/12/61/721591261.db2.gz SOVYINZANJDOQO-SCTDSRPQSA-N 1 1 424.879 2.782 20 0 HFADMO CCOC(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164906538 721691833 /nfs/dbraw/zinc/69/18/33/721691833.db2.gz NIQLMHXOSXRFHY-FQEVSTJZSA-N 1 1 417.460 2.786 20 0 HFADMO FC1(F)CCN(c2cc3c(nn2)CCOC3)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164913116 721733221 /nfs/dbraw/zinc/73/32/21/721733221.db2.gz TUTMUHQWSYTTHZ-HXUWFJFHSA-N 1 1 401.461 2.682 20 0 HFADMO COc1ccc(C(F)(F)N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc1Cl ZINC001165011102 721739231 /nfs/dbraw/zinc/73/92/31/721739231.db2.gz LEQIZUDUPSQTOW-UHFFFAOYSA-N 1 1 416.900 2.812 20 0 HFADMO CCOC(=O)c1nccc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164912169 721763090 /nfs/dbraw/zinc/76/30/90/721763090.db2.gz UPAVGCDGPSSNCK-UHFFFAOYSA-N 1 1 407.474 2.836 20 0 HFADMO CCOC(=O)c1nccc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164912169 721763093 /nfs/dbraw/zinc/76/30/93/721763093.db2.gz UPAVGCDGPSSNCK-UHFFFAOYSA-N 1 1 407.474 2.836 20 0 HFADMO Cc1nc(-n2cncn2)cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164912235 721764001 /nfs/dbraw/zinc/76/40/01/721764001.db2.gz VWZILFXWFTTYTK-UHFFFAOYSA-N 1 1 416.489 2.548 20 0 HFADMO Cc1nc(-n2cncn2)cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164912235 721764005 /nfs/dbraw/zinc/76/40/05/721764005.db2.gz VWZILFXWFTTYTK-UHFFFAOYSA-N 1 1 416.489 2.548 20 0 HFADMO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026355 721803855 /nfs/dbraw/zinc/80/38/55/721803855.db2.gz QYXKCQAIYIRMOS-CVAIRZPRSA-N 1 1 420.517 2.828 20 0 HFADMO COC(=O)c1cc2c(ncnc2N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH]1 ZINC001165026355 721803856 /nfs/dbraw/zinc/80/38/56/721803856.db2.gz QYXKCQAIYIRMOS-CVAIRZPRSA-N 1 1 420.517 2.828 20 0 HFADMO COC(=O)c1cc2c(ncnc2N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH]1 ZINC001165026355 721803858 /nfs/dbraw/zinc/80/38/58/721803858.db2.gz QYXKCQAIYIRMOS-CVAIRZPRSA-N 1 1 420.517 2.828 20 0 HFADMO Cc1cnc2n1CCN(C)C21CCN(c2cc(OC3CC[NH+](C)CC3)ccn2)CC1 ZINC001164919151 721821372 /nfs/dbraw/zinc/82/13/72/721821372.db2.gz NSDFJQOXWMTLKR-UHFFFAOYSA-N 1 1 410.566 2.501 20 0 HFADMO CNC(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165024730 721831356 /nfs/dbraw/zinc/83/13/56/721831356.db2.gz LAFHSVFAIXSSCM-QILLFSRXSA-N 1 1 414.941 2.622 20 0 HFADMO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H]4[C@H]3CC[N@H+]4CCN(C)C)c2c1C ZINC001164932336 721877938 /nfs/dbraw/zinc/87/79/38/721877938.db2.gz IUUCDCCRLMGJPZ-HZPDHXFCSA-N 1 1 417.579 2.699 20 0 HFADMO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)c2c1C ZINC001164932336 721877939 /nfs/dbraw/zinc/87/79/39/721877939.db2.gz IUUCDCCRLMGJPZ-HZPDHXFCSA-N 1 1 417.579 2.699 20 0 HFADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1cncc(OCc2cccc(Cl)c2)n1 ZINC001164936349 721887980 /nfs/dbraw/zinc/88/79/80/721887980.db2.gz ZPSBKFLRULFQQI-RBUKOAKNSA-N 1 1 401.942 2.924 20 0 HFADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1cncc(OCc2cccc(Cl)c2)n1 ZINC001164936349 721887981 /nfs/dbraw/zinc/88/79/81/721887981.db2.gz ZPSBKFLRULFQQI-RBUKOAKNSA-N 1 1 401.942 2.924 20 0 HFADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC001165037826 721914615 /nfs/dbraw/zinc/91/46/15/721914615.db2.gz KHOYPWOGBPALHH-INIZCTEOSA-N 1 1 420.554 2.659 20 0 HFADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncnc5c4[C@@H](C)C(=O)N5)CC3)C2)cc1 ZINC001164938980 721927115 /nfs/dbraw/zinc/92/71/15/721927115.db2.gz FTPBQJOMDSABNF-QGZVFWFLSA-N 1 1 407.518 2.712 20 0 HFADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(-n5ccnc5)nn4)CC3)C2)cc1 ZINC001164939548 721928031 /nfs/dbraw/zinc/92/80/31/721928031.db2.gz MHCLVSIQJOFHAA-UHFFFAOYSA-N 1 1 404.518 2.842 20 0 HFADMO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165046026 721961913 /nfs/dbraw/zinc/96/19/13/721961913.db2.gz GYKJQGLGDSVBMR-OAHLLOKOSA-N 1 1 404.898 2.608 20 0 HFADMO COC(=O)c1cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c(C)c1 ZINC001164964583 722054279 /nfs/dbraw/zinc/05/42/79/722054279.db2.gz VUBSOILTMJEBNG-UHFFFAOYSA-N 1 1 410.518 2.691 20 0 HFADMO c1cc(C[N@@H+]2CCOCC3(CCN(c4cc(OCC5CC5)ncn4)CC3)C2)ccn1 ZINC001164964889 722057141 /nfs/dbraw/zinc/05/71/41/722057141.db2.gz ZDFMEQWTJCIFND-UHFFFAOYSA-N 1 1 409.534 2.779 20 0 HFADMO COC(=O)c1cc(C)cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164963991 722057437 /nfs/dbraw/zinc/05/74/37/722057437.db2.gz QLZXUFWQZVHLIK-UHFFFAOYSA-N 1 1 410.518 2.691 20 0 HFADMO CCCNC(=O)c1cccnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164961524 722059782 /nfs/dbraw/zinc/05/97/82/722059782.db2.gz LEZVAWRJOFFMLO-UHFFFAOYSA-N 1 1 423.561 2.735 20 0 HFADMO F[C@@H](Oc1ccc(Cl)nn1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164965837 722062417 /nfs/dbraw/zinc/06/24/17/722062417.db2.gz LVSZVHJQVIRZCJ-LJQANCHMSA-N 1 1 421.904 2.772 20 0 HFADMO Cc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1N1CCCC1 ZINC001164978205 722098978 /nfs/dbraw/zinc/09/89/78/722098978.db2.gz GESKSEBFPUUXLC-LEWJYISDSA-N 1 1 408.550 2.508 20 0 HFADMO CCOC(=O)c1ccc(C)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977257 722099042 /nfs/dbraw/zinc/09/90/42/722099042.db2.gz FKGVRFONTDBLIA-TZIWHRDSSA-N 1 1 410.518 2.689 20 0 HFADMO COC(=O)c1ccc(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974561 722099953 /nfs/dbraw/zinc/09/99/53/722099953.db2.gz AGOFBYFIXNDYFU-FUHWJXTLSA-N 1 1 416.909 2.644 20 0 HFADMO CCOC(=O)c1cc(C)cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983442 722105816 /nfs/dbraw/zinc/10/58/16/722105816.db2.gz QDUDMQVIWJMTKT-FPOVZHCZSA-N 1 1 410.518 2.689 20 0 HFADMO COC(=O)c1cc(Cl)cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983360 722106168 /nfs/dbraw/zinc/10/61/68/722106168.db2.gz PQMPOTMKZQIIAY-VQIMIIECSA-N 1 1 416.909 2.644 20 0 HFADMO COc1cccc2c1ncnc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985186 722106227 /nfs/dbraw/zinc/10/62/27/722106227.db2.gz VGQFSGKPAWTERB-WIYYLYMNSA-N 1 1 405.502 2.761 20 0 HFADMO COC(=O)c1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1Cl ZINC001164983133 722115109 /nfs/dbraw/zinc/11/51/09/722115109.db2.gz YJNIHHSTUOJBCB-AEFFLSMTSA-N 1 1 416.909 2.644 20 0 HFADMO CCOc1c(Cl)ncnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981791 722123193 /nfs/dbraw/zinc/12/31/93/722123193.db2.gz VEHGVNZPKHSSCY-SJORKVTESA-N 1 1 403.914 2.651 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4nccc(N5CCCCC5)n4)CC[C@H]3C2)c1 ZINC001164972706 722128675 /nfs/dbraw/zinc/12/86/75/722128675.db2.gz AIBJWLJPOQOBHQ-SFTDATJTSA-N 1 1 408.550 2.589 20 0 HFADMO Cc1noc(-c2ccnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)n1 ZINC001164982682 722145263 /nfs/dbraw/zinc/14/52/63/722145263.db2.gz RYCDOIQDYDIRNZ-WOJBJXKFSA-N 1 1 406.490 2.562 20 0 HFADMO [O-][n+]1ccc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cc1Cl ZINC001164976218 722157244 /nfs/dbraw/zinc/15/72/44/722157244.db2.gz UZTNZMUTTUAHGS-WMZOPIPTSA-N 1 1 424.879 2.641 20 0 HFADMO C[NH+]1CCN(c2nccc(N3C[C@H]4[C@H](C3)c3ccccc3[C@H]4OCC3CC3)n2)CC1 ZINC001164980951 722171672 /nfs/dbraw/zinc/17/16/72/722171672.db2.gz ZDYFMPYBWOVQHU-FUPPJEDESA-N 1 1 405.546 2.930 20 0 HFADMO Cc1c(Cl)cnc(Cl)c1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001165002839 722236469 /nfs/dbraw/zinc/23/64/69/722236469.db2.gz ZUOMAIQKKQVXMN-UHFFFAOYSA-N 1 1 407.349 2.844 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792994736 1078043547 /nfs/dbraw/zinc/04/35/47/1078043547.db2.gz GOTDDMNSOMHKJE-HNNXBMFYSA-N 1 1 417.307 2.516 20 0 HFADMO Cc1nc(-c2ccc(Br)cc2)nn1C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000790463382 1078044242 /nfs/dbraw/zinc/04/42/42/1078044242.db2.gz ZMKJVZLFZSPARH-MRXNPFEDSA-N 1 1 404.312 2.670 20 0 HFADMO Cc1nc(-c2ccc(Br)cc2)nn1C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000790463382 1078044246 /nfs/dbraw/zinc/04/42/46/1078044246.db2.gz ZMKJVZLFZSPARH-MRXNPFEDSA-N 1 1 404.312 2.670 20 0 HFADMO COCCN1[C@H]2CC[N@H+]([C@@H]3CC[C@@H](C)C3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001170139016 1078049383 /nfs/dbraw/zinc/04/93/83/1078049383.db2.gz TVGSIFWRMWJHFU-YRXWBPOGSA-N 1 1 408.564 2.738 20 0 HFADMO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cnn(Cc2ccccc2)c1Cl ZINC000790533376 1078052806 /nfs/dbraw/zinc/05/28/06/1078052806.db2.gz NHNWMALNJZJVJO-IBGZPJMESA-N 1 1 403.958 2.617 20 0 HFADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNCc1cnn(Cc2ccccc2)c1Cl ZINC000790533376 1078052802 /nfs/dbraw/zinc/05/28/02/1078052802.db2.gz NHNWMALNJZJVJO-IBGZPJMESA-N 1 1 403.958 2.617 20 0 HFADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1cccc(Cl)n1 ZINC000793042659 1078054380 /nfs/dbraw/zinc/05/43/80/1078054380.db2.gz PWVHDAHFJLEWDK-MRXNPFEDSA-N 1 1 401.898 2.582 20 0 HFADMO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)C(=O)Nc1cccc(Br)n1 ZINC000793069037 1078061994 /nfs/dbraw/zinc/06/19/94/1078061994.db2.gz VECKWFXPBZKBOS-CQSZACIVSA-N 1 1 409.328 2.696 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)C(F)(F)Cc2ccccc2)CC1 ZINC000793096660 1078074263 /nfs/dbraw/zinc/07/42/63/1078074263.db2.gz BHAJZWRUGBUURI-UHFFFAOYSA-N 1 1 411.493 2.923 20 0 HFADMO Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 ZINC000790611104 1078074959 /nfs/dbraw/zinc/07/49/59/1078074959.db2.gz QVGCEAIYKWMWFC-FQEVSTJZSA-N 1 1 401.898 2.897 20 0 HFADMO COc1cc(C(=O)OC[C@H]2C[N@@H+](CC(C)C)CCO2)cc(Br)c1OC ZINC000793145562 1078089856 /nfs/dbraw/zinc/08/98/56/1078089856.db2.gz DLXXMYJBOFECPU-CQSZACIVSA-N 1 1 416.312 2.980 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 ZINC000793149622 1078090850 /nfs/dbraw/zinc/09/08/50/1078090850.db2.gz MYOVNXVBHKFADH-UHFFFAOYSA-N 1 1 402.458 2.685 20 0 HFADMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)C[C@H](C)O1 ZINC000793186177 1078096599 /nfs/dbraw/zinc/09/65/99/1078096599.db2.gz UIJFSFRHYWLNCK-MHORFTMASA-N 1 1 409.571 2.732 20 0 HFADMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)C[C@H](C)O1 ZINC000793186177 1078096605 /nfs/dbraw/zinc/09/66/05/1078096605.db2.gz UIJFSFRHYWLNCK-MHORFTMASA-N 1 1 409.571 2.732 20 0 HFADMO Cc1ccc(N2C(=O)C(=O)N(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)C2=O)c(C)c1 ZINC000772829082 1078099981 /nfs/dbraw/zinc/09/99/81/1078099981.db2.gz RBNJZAJONBRCGL-PXNSSMCTSA-N 1 1 410.518 2.505 20 0 HFADMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(CCO)Cc1cccnc1Cl ZINC000793212022 1078107777 /nfs/dbraw/zinc/10/77/77/1078107777.db2.gz DFDZCJCPQHVPME-GOSISDBHSA-N 1 1 402.926 2.761 20 0 HFADMO C[N@H+]1CCC[C@@H](NC(=O)N(CCNC(=O)OC(C)(C)C)CCc2ccccc2)C1 ZINC000790770531 1078124378 /nfs/dbraw/zinc/12/43/78/1078124378.db2.gz RLIOMNMUBCJRPM-LJQANCHMSA-N 1 1 404.555 2.860 20 0 HFADMO COC(=O)[C@H]1C[N@H+](C)CCN1c1nc(-c2ccc(OC)cc2)nc2ccc(F)cc21 ZINC001157770725 1078126283 /nfs/dbraw/zinc/12/62/83/1078126283.db2.gz PTQULACDAFQUGR-LJQANCHMSA-N 1 1 410.449 2.738 20 0 HFADMO COC(=O)[C@H]1C[N@@H+](C)CCN1c1nc(-c2ccc(OC)cc2)nc2ccc(F)cc21 ZINC001157770725 1078126292 /nfs/dbraw/zinc/12/62/92/1078126292.db2.gz PTQULACDAFQUGR-LJQANCHMSA-N 1 1 410.449 2.738 20 0 HFADMO Brc1nc(Br)n(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000772831222 1078137740 /nfs/dbraw/zinc/13/77/40/1078137740.db2.gz ZLQUCENMIAALLC-JQWIXIFHSA-N 1 1 419.165 2.709 20 0 HFADMO CC(C)[N@H+]1CCCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1 ZINC000793384929 1078162205 /nfs/dbraw/zinc/16/22/05/1078162205.db2.gz QBKJLJNJCUMCFV-WOJBJXKFSA-N 1 1 410.518 2.521 20 0 HFADMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)[C@H](C)C1 ZINC000793510761 1078194812 /nfs/dbraw/zinc/19/48/12/1078194812.db2.gz AJIHMMHUVCLOBI-SQNIBIBYSA-N 1 1 411.587 2.885 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000793552804 1078209124 /nfs/dbraw/zinc/20/91/24/1078209124.db2.gz KEZSJJUFYFDBJM-CZUORRHYSA-N 1 1 416.526 2.598 20 0 HFADMO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC001170434349 1078212671 /nfs/dbraw/zinc/21/26/71/1078212671.db2.gz HYEYVECJEZQQTR-YOEHRIQHSA-N 1 1 404.461 2.922 20 0 HFADMO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC001170434349 1078212673 /nfs/dbraw/zinc/21/26/73/1078212673.db2.gz HYEYVECJEZQQTR-YOEHRIQHSA-N 1 1 404.461 2.922 20 0 HFADMO COCC1(C(=O)NCCNc2cccc(C)[nH+]2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793575633 1078212992 /nfs/dbraw/zinc/21/29/92/1078212992.db2.gz HWIUQTOQYJSALQ-UHFFFAOYSA-N 1 1 406.527 2.582 20 0 HFADMO CN(C)c1cc(NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)cc[nH+]1 ZINC000793609056 1078217667 /nfs/dbraw/zinc/21/76/67/1078217667.db2.gz JDPBXGIVVNHVFU-QZTJIDSGSA-N 1 1 405.458 2.678 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CN2C(=O)[C@@H](C)N(c3ccccc3)C2=O)C1 ZINC000793594587 1078218754 /nfs/dbraw/zinc/21/87/54/1078218754.db2.gz FOMBCEKADSJCIW-UZUQRXQVSA-N 1 1 407.470 2.618 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CN2C(=O)[C@@H](C)N(c3ccccc3)C2=O)C1 ZINC000793594587 1078218756 /nfs/dbraw/zinc/21/87/56/1078218756.db2.gz FOMBCEKADSJCIW-UZUQRXQVSA-N 1 1 407.470 2.618 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CN2C(=O)N[C@@](C)(c3ccccc3C)C2=O)C1 ZINC000793598146 1078219533 /nfs/dbraw/zinc/21/95/33/1078219533.db2.gz MMWUXSDEEADUGT-ZEQRLZLVSA-N 1 1 421.497 2.536 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CN2C(=O)N[C@@](C)(c3ccccc3C)C2=O)C1 ZINC000793598146 1078219538 /nfs/dbraw/zinc/21/95/38/1078219538.db2.gz MMWUXSDEEADUGT-ZEQRLZLVSA-N 1 1 421.497 2.536 20 0 HFADMO CCC1CCC2(CC1)NC(=O)N(C[N@@H+]1CC[C@@](C(=O)OC)(c3ccccc3)C1)C2=O ZINC000793600022 1078220476 /nfs/dbraw/zinc/22/04/76/1078220476.db2.gz STEJIFXCNFCBHB-ZVSMTPAHSA-N 1 1 413.518 2.651 20 0 HFADMO CCC1CCC2(CC1)NC(=O)N(C[N@H+]1CC[C@@](C(=O)OC)(c3ccccc3)C1)C2=O ZINC000793600022 1078220480 /nfs/dbraw/zinc/22/04/80/1078220480.db2.gz STEJIFXCNFCBHB-ZVSMTPAHSA-N 1 1 413.518 2.651 20 0 HFADMO C[N@@H+]1CCN(Cc2ccc(Oc3cnccn3)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793603143 1078221276 /nfs/dbraw/zinc/22/12/76/1078221276.db2.gz DWRZXDAQFAGLHI-GOSISDBHSA-N 1 1 413.522 2.910 20 0 HFADMO C[N@H+]1CCN(Cc2ccc(Oc3cnccn3)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793603143 1078221279 /nfs/dbraw/zinc/22/12/79/1078221279.db2.gz DWRZXDAQFAGLHI-GOSISDBHSA-N 1 1 413.522 2.910 20 0 HFADMO Cc1nn2c(CN3CC[N@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)c(C(C)C)nc2s1 ZINC000793603400 1078222222 /nfs/dbraw/zinc/22/22/22/1078222222.db2.gz HUWFQNNFVHEGBT-OAHLLOKOSA-N 1 1 422.599 2.863 20 0 HFADMO Cc1nn2c(CN3CC[N@@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)c(C(C)C)nc2s1 ZINC000793603400 1078222225 /nfs/dbraw/zinc/22/22/25/1078222225.db2.gz HUWFQNNFVHEGBT-OAHLLOKOSA-N 1 1 422.599 2.863 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000793684401 1078254125 /nfs/dbraw/zinc/25/41/25/1078254125.db2.gz AMYRHPRDNWUBNW-KNKQGSTJSA-N 1 1 409.530 2.597 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@H]2O[C@H](C(=O)N3CCCCO3)CC[C@H]21 ZINC001170436092 1078255431 /nfs/dbraw/zinc/25/54/31/1078255431.db2.gz GVNCMCKKZSDFHW-XCJLJZCSSA-N 1 1 416.518 2.912 20 0 HFADMO C[C@H](O)c1ccc(CNC(=O)C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793658066 1078259624 /nfs/dbraw/zinc/25/96/24/1078259624.db2.gz ZVANOMUSLKCLOG-CNNODRBYSA-N 1 1 423.557 2.773 20 0 HFADMO COC(=O)[C@@H]1CC(=O)N(CN2CC[N@@H+](CCCc3ccccc3)C[C@H]2CC(C)C)C1 ZINC000793726637 1078268172 /nfs/dbraw/zinc/26/81/72/1078268172.db2.gz YFPRVGXKRIKAIW-FGZHOGPDSA-N 1 1 415.578 2.631 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C[C@@H](c4cccnc4)CC3=O)CC[C@H]21 ZINC000793711661 1078260765 /nfs/dbraw/zinc/26/07/65/1078260765.db2.gz WLRPHXXRCOPQDS-CEXWTWQISA-N 1 1 400.523 2.686 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C[C@@H](c4cccnc4)CC3=O)CC[C@H]21 ZINC000793711661 1078260768 /nfs/dbraw/zinc/26/07/68/1078260768.db2.gz WLRPHXXRCOPQDS-CEXWTWQISA-N 1 1 400.523 2.686 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C[C@@](C)(c4ccccn4)CC3=O)CC[C@@H]21 ZINC000793725342 1078266805 /nfs/dbraw/zinc/26/68/05/1078266805.db2.gz VHFSXUCSOYQKEH-STSQHVNTSA-N 1 1 414.550 2.860 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C[C@@](C)(c4ccccn4)CC3=O)CC[C@@H]21 ZINC000793725342 1078266806 /nfs/dbraw/zinc/26/68/06/1078266806.db2.gz VHFSXUCSOYQKEH-STSQHVNTSA-N 1 1 414.550 2.860 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC001170436556 1078267912 /nfs/dbraw/zinc/26/79/12/1078267912.db2.gz IYYMJMFFHOSEDS-WOJBJXKFSA-N 1 1 412.530 2.863 20 0 HFADMO C[C@@H](COc1ccccc1)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000793694322 1078270346 /nfs/dbraw/zinc/27/03/46/1078270346.db2.gz HEWMAUINDJISHD-ROUUACIJSA-N 1 1 415.559 2.660 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC000793694338 1078270423 /nfs/dbraw/zinc/27/04/23/1078270423.db2.gz YITCOBGQMASPKF-PIGZYNQJSA-N 1 1 405.861 2.867 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000793700280 1078273572 /nfs/dbraw/zinc/27/35/72/1078273572.db2.gz ZBKRXAOGQUEALN-UXHICEINSA-N 1 1 409.530 2.693 20 0 HFADMO C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(C[N@@H+]2CCOC[C@H](C3CCC3)C2)C1=O ZINC000793742939 1078287910 /nfs/dbraw/zinc/28/79/10/1078287910.db2.gz NJRYVOUGSKXDDJ-JLTOFOAXSA-N 1 1 409.889 2.952 20 0 HFADMO C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(C[N@H+]2CCOC[C@H](C3CCC3)C2)C1=O ZINC000793742939 1078287912 /nfs/dbraw/zinc/28/79/12/1078287912.db2.gz NJRYVOUGSKXDDJ-JLTOFOAXSA-N 1 1 409.889 2.952 20 0 HFADMO COc1cc(-c2nn(CN3CC[C@@]4(CC[N@@H+](C)C4)C3)c(=S)o2)cc(OC)c1OC ZINC000793766337 1078282177 /nfs/dbraw/zinc/28/21/77/1078282177.db2.gz KORZLNYDGPIUIS-HXUWFJFHSA-N 1 1 420.535 2.883 20 0 HFADMO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793767230 1078282834 /nfs/dbraw/zinc/28/28/34/1078282834.db2.gz FHTMOGRGFMZNBC-IFMALSPDSA-N 1 1 423.557 2.859 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793798891 1078301687 /nfs/dbraw/zinc/30/16/87/1078301687.db2.gz MKTIZAIUCGUWFJ-NBGIEHNGSA-N 1 1 423.557 2.907 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000793805130 1078304350 /nfs/dbraw/zinc/30/43/50/1078304350.db2.gz MOHDEYKLKFSBLZ-FXAWDEMLSA-N 1 1 421.476 2.784 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000793805132 1078304399 /nfs/dbraw/zinc/30/43/99/1078304399.db2.gz MOHDEYKLKFSBLZ-XLIONFOSSA-N 1 1 421.476 2.784 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCCC[C@H]1Cc1ccccc1 ZINC000793807294 1078305496 /nfs/dbraw/zinc/30/54/96/1078305496.db2.gz XLRMEFGTYDBMPO-NRFANRHFSA-N 1 1 417.513 2.816 20 0 HFADMO CSC[C@@H]1CCC[N@H+](CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)C1 ZINC000793794038 1078299716 /nfs/dbraw/zinc/29/97/16/1078299716.db2.gz ASQWHFKWWNITJN-LFPRZYRFSA-N 1 1 405.564 2.779 20 0 HFADMO CSC[C@@H]1CCC[N@@H+](CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)C1 ZINC000793794038 1078299718 /nfs/dbraw/zinc/29/97/18/1078299718.db2.gz ASQWHFKWWNITJN-LFPRZYRFSA-N 1 1 405.564 2.779 20 0 HFADMO C[N@H+]1CC[C@]2(CCN(CN3C(=O)N[C@](Cc4ccccc4)(c4ccccc4)C3=O)C2)C1 ZINC000793771033 1078307072 /nfs/dbraw/zinc/30/70/72/1078307072.db2.gz ZVCWELJOFMXTGY-LOSJGSFVSA-N 1 1 418.541 2.662 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000793780914 1078310286 /nfs/dbraw/zinc/31/02/86/1078310286.db2.gz PCFHMALELYYTHV-SXWKCWPCSA-N 1 1 423.557 2.905 20 0 HFADMO CN(C)c1ccc(C2CCN(C(=O)C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000793838414 1078310872 /nfs/dbraw/zinc/31/08/72/1078310872.db2.gz JEZBKPJZKKQGBH-UHFFFAOYSA-N 1 1 422.573 2.707 20 0 HFADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCc2ccccc2OC1 ZINC000793839376 1078311098 /nfs/dbraw/zinc/31/10/98/1078311098.db2.gz CVPNVWCIJLLFLK-RBBKRZOGSA-N 1 1 421.541 2.525 20 0 HFADMO Cc1ccc([C@@H](C)NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)s1 ZINC000793855095 1078324540 /nfs/dbraw/zinc/32/45/40/1078324540.db2.gz XRZJVGCBIDMMBH-MJGOQNOKSA-N 1 1 415.559 2.641 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)[C@H](C)C1 ZINC000793872428 1078329434 /nfs/dbraw/zinc/32/94/34/1078329434.db2.gz ABPILVYEKOYGKA-MSOLQXFVSA-N 1 1 411.587 2.765 20 0 HFADMO CCCC[N@@H+](C)CCNC(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000793872087 1078329583 /nfs/dbraw/zinc/32/95/83/1078329583.db2.gz QWBGTWCUBXGFMX-UHFFFAOYSA-N 1 1 416.610 2.917 20 0 HFADMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(-c3ccc(Br)cc3)n2C)[C@H](C)C1 ZINC000793876154 1078331689 /nfs/dbraw/zinc/33/16/89/1078331689.db2.gz XOPQZHQMGAMZJY-CABCVRRESA-N 1 1 420.351 2.982 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(-c3ccc(Br)cc3)n2C)[C@H](C)C1 ZINC000793876154 1078331694 /nfs/dbraw/zinc/33/16/94/1078331694.db2.gz XOPQZHQMGAMZJY-CABCVRRESA-N 1 1 420.351 2.982 20 0 HFADMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(-c3ccc(Br)cc3)n2C)[C@H](C)C1 ZINC000793876157 1078332005 /nfs/dbraw/zinc/33/20/05/1078332005.db2.gz XOPQZHQMGAMZJY-HUUCEWRRSA-N 1 1 420.351 2.982 20 0 HFADMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(-c3ccc(Br)cc3)n2C)[C@H](C)C1 ZINC000793876157 1078332010 /nfs/dbraw/zinc/33/20/10/1078332010.db2.gz XOPQZHQMGAMZJY-HUUCEWRRSA-N 1 1 420.351 2.982 20 0 HFADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccc(Cl)nc2)C1 ZINC000793931372 1078341295 /nfs/dbraw/zinc/34/12/95/1078341295.db2.gz NIAREJMYPBZDGD-QAPCUYQASA-N 1 1 400.910 2.645 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000793932478 1078341521 /nfs/dbraw/zinc/34/15/21/1078341521.db2.gz UIJSOHBOXKJXNP-RDJZCZTQSA-N 1 1 400.910 2.611 20 0 HFADMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000793909568 1078334922 /nfs/dbraw/zinc/33/49/22/1078334922.db2.gz HUVUIWSGRSJRHO-ZWJWXYIHSA-N 1 1 421.607 2.645 20 0 HFADMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)C1 ZINC000793915538 1078336824 /nfs/dbraw/zinc/33/68/24/1078336824.db2.gz YMQUOVRPMUXKMY-GHTZIAJQSA-N 1 1 415.578 2.897 20 0 HFADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000793915539 1078336860 /nfs/dbraw/zinc/33/68/60/1078336860.db2.gz YMQUOVRPMUXKMY-NQIIRXRSSA-N 1 1 415.578 2.897 20 0 HFADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000793928356 1078340310 /nfs/dbraw/zinc/34/03/10/1078340310.db2.gz ATXUGAITZQUWGG-IPHXSNPTSA-N 1 1 411.933 2.875 20 0 HFADMO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000793872150 1078329857 /nfs/dbraw/zinc/32/98/57/1078329857.db2.gz XRDMBJQYBXUVSP-QFIPXVFZSA-N 1 1 411.546 2.645 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1Cc2ccnn2C[C@@H](C(=O)NCC2CC2)C1 ZINC001170440516 1078350521 /nfs/dbraw/zinc/35/05/21/1078350521.db2.gz DCZRISBGEWWAKB-OALUTQOASA-N 1 1 410.518 2.591 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1Cc2ccnn2C[C@@H](C(=O)NCC2CC2)C1 ZINC001170440516 1078350526 /nfs/dbraw/zinc/35/05/26/1078350526.db2.gz DCZRISBGEWWAKB-OALUTQOASA-N 1 1 410.518 2.591 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000793946756 1078355200 /nfs/dbraw/zinc/35/52/00/1078355200.db2.gz BVNKTITWSBZFDQ-WSTZPKSXSA-N 1 1 407.599 2.667 20 0 HFADMO O=S(=O)(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)c1cccc2nonc21 ZINC000794072321 1078368271 /nfs/dbraw/zinc/36/82/71/1078368271.db2.gz ZONFCTJGNQGUED-UHFFFAOYSA-N 1 1 407.455 2.981 20 0 HFADMO O=C(N[C@@H](Cc1ccccc1)C(=O)NCC[N@@H+]1CC=CCC1)OCc1ccccc1 ZINC000794117294 1078374257 /nfs/dbraw/zinc/37/42/57/1078374257.db2.gz AZURTBXBMIZKBQ-QFIPXVFZSA-N 1 1 407.514 2.902 20 0 HFADMO Cn1ccc(CCC(=O)NN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000794208962 1078393679 /nfs/dbraw/zinc/39/36/79/1078393679.db2.gz CGJRXCJPWQCNHP-UHFFFAOYSA-N 1 1 403.530 2.791 20 0 HFADMO C[C@@H](C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000794276026 1078398504 /nfs/dbraw/zinc/39/85/04/1078398504.db2.gz SPMWVEPKZWQTCL-ICSRJNTNSA-N 1 1 418.582 2.785 20 0 HFADMO C[N@@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000794383022 1078432199 /nfs/dbraw/zinc/43/21/99/1078432199.db2.gz KIOJOGHIDCYHLO-MRXNPFEDSA-N 1 1 401.548 2.593 20 0 HFADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC001129395214 1078437768 /nfs/dbraw/zinc/43/77/68/1078437768.db2.gz MUQHDFWPOIGYFE-WBVHZDCISA-N 1 1 401.457 2.954 20 0 HFADMO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[N@H+](CC)C[C@H]2C)c1 ZINC000804381136 1078439901 /nfs/dbraw/zinc/43/99/01/1078439901.db2.gz LBJBQRJNYXNPQY-CQSZACIVSA-N 1 1 401.960 2.537 20 0 HFADMO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000804381136 1078439906 /nfs/dbraw/zinc/43/99/06/1078439906.db2.gz LBJBQRJNYXNPQY-CQSZACIVSA-N 1 1 401.960 2.537 20 0 HFADMO 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COCC(COC)[NH+]1CCN(C(=O)/C=C(/C)c2cccc(C(F)(F)F)c2)CC1 ZINC001129823273 1078518384 /nfs/dbraw/zinc/51/83/84/1078518384.db2.gz VQQJAWJELXPKDC-PTNGSMBKSA-N 1 1 400.441 2.914 20 0 HFADMO Cn1cnc(/C=C/C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)c1 ZINC001129823771 1078518680 /nfs/dbraw/zinc/51/86/80/1078518680.db2.gz RMBHKCHQNRYAPK-AATRIKPKSA-N 1 1 403.324 2.977 20 0 HFADMO CCC(=O)c1ccc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(S(N)(=O)=O)c1 ZINC000804693495 1078532365 /nfs/dbraw/zinc/53/23/65/1078532365.db2.gz WEXNOPBMQZRKOX-INIZCTEOSA-N 1 1 416.547 2.844 20 0 HFADMO O=C([C@H]1CCCN1C(=O)C(F)(F)F)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804534192 1078571531 /nfs/dbraw/zinc/57/15/31/1078571531.db2.gz DUKIRANLYKIXMI-YLJYHZDGSA-N 1 1 409.452 2.664 20 0 HFADMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC001129905784 1078577953 /nfs/dbraw/zinc/57/79/53/1078577953.db2.gz PVBXBNAKTIWQKU-ZDUSSCGKSA-N 1 1 401.960 2.583 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCC=C(c3ccncc3)C2)CC1 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1078626939 /nfs/dbraw/zinc/62/69/39/1078626939.db2.gz MCULSEIOLHJOEK-HOJAQTOUSA-N 1 1 402.535 2.856 20 0 HFADMO COCC(C)(C)[NH+]1CCN(C(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)CC1 ZINC001129926526 1078619936 /nfs/dbraw/zinc/61/99/36/1078619936.db2.gz ZEFHFTOURVSXAA-UHFFFAOYSA-N 1 1 417.428 2.980 20 0 HFADMO Cc1c(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cnn1-c1cc[nH+]cc1 ZINC001129668732 1078628428 /nfs/dbraw/zinc/62/84/28/1078628428.db2.gz JTYPGLTZGOTWHP-UHFFFAOYSA-N 1 1 413.503 2.905 20 0 HFADMO Cc1nc(C(C)C)[nH]c(=O)c1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000747215867 1078641105 /nfs/dbraw/zinc/64/11/05/1078641105.db2.gz IFBYPBJNWZENJP-INIZCTEOSA-N 1 1 411.506 2.564 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cccnc1-n1cccn1 ZINC001129968497 1078661501 /nfs/dbraw/zinc/66/15/01/1078661501.db2.gz ZOLDJNSKRVUJBG-TZIWHRDSSA-N 1 1 405.502 2.534 20 0 HFADMO CCN1C[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC1=O ZINC001129677162 1078665466 /nfs/dbraw/zinc/66/54/66/1078665466.db2.gz DZGZXZLSNRARGQ-BAGYTPMASA-N 1 1 409.505 2.778 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000804829413 1078669297 /nfs/dbraw/zinc/66/92/97/1078669297.db2.gz TYUMIHWWIFZHOL-FQEVSTJZSA-N 1 1 422.573 2.882 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000804829192 1078669780 /nfs/dbraw/zinc/66/97/80/1078669780.db2.gz NGISLRQPZBQORI-FQEVSTJZSA-N 1 1 400.567 2.672 20 0 HFADMO CC(C)(C)OC(=O)N1CCN([C@H]2CCN(c3cc[nH+]c(N4CCCCC4)n3)C2)CC1 ZINC000804835462 1078677094 /nfs/dbraw/zinc/67/70/94/1078677094.db2.gz VSWUVYCJAJDQBS-SFHVURJKSA-N 1 1 416.570 2.598 20 0 HFADMO CCN(c1ccnc(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)n1)C1CCCC1 ZINC001129736238 1078682695 /nfs/dbraw/zinc/68/26/95/1078682695.db2.gz YJYSUZSGIONOIO-OALUTQOASA-N 1 1 411.554 2.653 20 0 HFADMO CCOC(=O)c1c(NC(=O)CN2C[C@H]3CC[N@@H+](C)[C@H]3C2)sc2c1CC[C@@H](C)C2 ZINC001170459425 1078681344 /nfs/dbraw/zinc/68/13/44/1078681344.db2.gz GXMDMNBWGNMUBC-FMKPAKJESA-N 1 1 405.564 2.624 20 0 HFADMO Cc1noc(C)c1CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000804642912 1078695406 /nfs/dbraw/zinc/69/54/06/1078695406.db2.gz AAFXOGQGVOZKFZ-JXFKEZNVSA-N 1 1 412.534 2.510 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000804644639 1078697197 /nfs/dbraw/zinc/69/71/97/1078697197.db2.gz MNJBSJFAJRROJS-UGKGYDQZSA-N 1 1 422.573 2.928 20 0 HFADMO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[C@](C)(O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000804644608 1078697389 /nfs/dbraw/zinc/69/73/89/1078697389.db2.gz KTAVKLWLUWTCQM-WPWBMXPQSA-N 1 1 423.557 2.570 20 0 HFADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000804643934 1078698829 /nfs/dbraw/zinc/69/88/29/1078698829.db2.gz UASUUXQWIHFKJS-NQIIRXRSSA-N 1 1 411.521 2.996 20 0 HFADMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1S(C)(=O)=O ZINC001129760928 1078704848 /nfs/dbraw/zinc/70/48/48/1078704848.db2.gz RAQBXHGXRPDRBU-KRWDZBQOSA-N 1 1 402.516 2.949 20 0 HFADMO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000804896625 1078752739 /nfs/dbraw/zinc/75/27/39/1078752739.db2.gz SHOQYGYIIYDHDV-AUUYWEPGSA-N 1 1 413.440 2.570 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000804954659 1078796080 /nfs/dbraw/zinc/79/60/80/1078796080.db2.gz PLIYSRCBZOLKQA-DAYGRLMNSA-N 1 1 407.477 2.882 20 0 HFADMO CCC[N@@H+](C)[C@@H](CNC(=O)NCCN1C(=O)CSC1=O)c1ccc(Cl)cc1 ZINC000805019727 1078830372 /nfs/dbraw/zinc/83/03/72/1078830372.db2.gz KCKTYQQBAJVDCZ-HNNXBMFYSA-N 1 1 412.943 2.718 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000805119037 1078902268 /nfs/dbraw/zinc/90/22/68/1078902268.db2.gz HFJPTVCRRBZNRD-APWZRJJASA-N 1 1 413.440 2.788 20 0 HFADMO CCOC(=O)c1ccc(F)c(S(=O)(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)c1 ZINC000805120430 1078904130 /nfs/dbraw/zinc/90/41/30/1078904130.db2.gz SGONHGXRBQDVTO-KRWDZBQOSA-N 1 1 412.458 2.723 20 0 HFADMO COC(=O)/C=C\c1ccc(S(=O)(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000805121364 1078912479 /nfs/dbraw/zinc/91/24/79/1078912479.db2.gz OTZPIZZLNMDAQV-WYVHHVQNSA-N 1 1 406.479 2.593 20 0 HFADMO CC(C)Oc1ccc([C@H](CNS(=O)(=O)c2cccc3c2COC3=O)[NH+](C)C)cc1 ZINC000805134743 1078931535 /nfs/dbraw/zinc/93/15/35/1078931535.db2.gz HVVXFAGCHCEEML-IBGZPJMESA-N 1 1 418.515 2.725 20 0 HFADMO CC(C)Oc1ccc([C@@H](CNS(=O)(=O)c2cn3c(n2)CCCC3)[NH+](C)C)cc1 ZINC000805135037 1078931560 /nfs/dbraw/zinc/93/15/60/1078931560.db2.gz NRONFKBNWRANMP-GOSISDBHSA-N 1 1 406.552 2.588 20 0 HFADMO O=C(COc1ccc(C2SCCCS2)cc1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747230933 1078945525 /nfs/dbraw/zinc/94/55/25/1078945525.db2.gz DBQUIUUHDRWMIG-AEFFLSMTSA-N 1 1 408.589 2.914 20 0 HFADMO COc1cccc(NC(=O)COc2ccc(C(=O)N(C)C[C@H]3CCC[N@H+]3C)cc2)c1 ZINC001130099052 1078949538 /nfs/dbraw/zinc/94/95/38/1078949538.db2.gz RGLRMYGAVHJNHA-LJQANCHMSA-N 1 1 411.502 2.879 20 0 HFADMO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000805196164 1078969990 /nfs/dbraw/zinc/96/99/90/1078969990.db2.gz OSQXNGZTPRXJFI-JOCHJYFZSA-N 1 1 414.937 2.864 20 0 HFADMO C[C@]1(CNC(=O)C(=O)NCCc2ccc(Cl)nc2)CCC[N@H+]1Cc1ccccc1 ZINC000805197969 1078971018 /nfs/dbraw/zinc/97/10/18/1078971018.db2.gz JYHPRIVTYGJXPJ-JOCHJYFZSA-N 1 1 414.937 2.565 20 0 HFADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)[C@@H]2COc3ccccc3C2)CC1 ZINC000805246409 1078982599 /nfs/dbraw/zinc/98/25/99/1078982599.db2.gz XPAJVVLQJVPDNF-NQIIRXRSSA-N 1 1 408.498 2.686 20 0 HFADMO CCCCCCn1nc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c2ccccc2c1=O ZINC000747236309 1078994739 /nfs/dbraw/zinc/99/47/39/1078994739.db2.gz LIUDQTLXFLOLJS-QZTJIDSGSA-N 1 1 412.534 2.570 20 0 HFADMO Cc1ccc(N2CCN(C(=O)NCc3ccc(C)[nH+]c3N3CCCC3)CC2=O)cc1 ZINC000805276916 1079005256 /nfs/dbraw/zinc/00/52/56/1079005256.db2.gz LGJPWKPPXPWDFC-UHFFFAOYSA-N 1 1 407.518 2.857 20 0 HFADMO Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747235338 1079009019 /nfs/dbraw/zinc/00/90/19/1079009019.db2.gz CNDQPPRTRXZXKW-HZPDHXFCSA-N 1 1 402.520 2.572 20 0 HFADMO O=C(NOCc1ccc(F)cc1)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000805281161 1079007046 /nfs/dbraw/zinc/00/70/46/1079007046.db2.gz SZSNMUAYWUPOLK-QFIPXVFZSA-N 1 1 412.509 2.859 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000805293362 1079015073 /nfs/dbraw/zinc/01/50/73/1079015073.db2.gz MNDKODNBLXQXNX-ALKREAHSSA-N 1 1 413.440 2.644 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000747239776 1079052157 /nfs/dbraw/zinc/05/21/57/1079052157.db2.gz CSWQEAQVFQRBQO-SDNWHVSQSA-N 1 1 402.516 2.673 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000747242134 1079068191 /nfs/dbraw/zinc/06/81/91/1079068191.db2.gz FHFWCENAXTWUKU-RDPWEWGOSA-N 1 1 414.527 2.816 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000747242134 1079068197 /nfs/dbraw/zinc/06/81/97/1079068197.db2.gz FHFWCENAXTWUKU-RDPWEWGOSA-N 1 1 414.527 2.816 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000747246569 1079123775 /nfs/dbraw/zinc/12/37/75/1079123775.db2.gz ARPZNGDTBKGARM-CQTFCRGUSA-N 1 1 406.479 2.593 20 0 HFADMO COc1cc(Br)c(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC001130259559 1079148400 /nfs/dbraw/zinc/14/84/00/1079148400.db2.gz GRYOWOVBSAMCLR-RWMBFGLXSA-N 1 1 415.328 2.694 20 0 HFADMO COc1cc(Br)c(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC001130259559 1079148405 /nfs/dbraw/zinc/14/84/05/1079148405.db2.gz GRYOWOVBSAMCLR-RWMBFGLXSA-N 1 1 415.328 2.694 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)ccc1F ZINC000747253488 1079154039 /nfs/dbraw/zinc/15/40/39/1079154039.db2.gz LBXJDTDPIBOXFM-HOCLYGCPSA-N 1 1 406.479 2.726 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1 ZINC000747253220 1079159840 /nfs/dbraw/zinc/15/98/40/1079159840.db2.gz KMZQBAVXYDXPPW-FMIVXFBMSA-N 1 1 411.483 2.845 20 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Cc1cccc(C)c1CNC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000805677886 1079215974 /nfs/dbraw/zinc/21/59/74/1079215974.db2.gz GAEACKMFKDGWLS-FQEVSTJZSA-N 1 1 411.571 2.653 20 0 HFADMO Cc1cccc(C)c1CNC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000805677886 1079215979 /nfs/dbraw/zinc/21/59/79/1079215979.db2.gz GAEACKMFKDGWLS-FQEVSTJZSA-N 1 1 411.571 2.653 20 0 HFADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)c2cc(-n3cccc3)ccn2)CC1 ZINC000805713227 1079233018 /nfs/dbraw/zinc/23/30/18/1079233018.db2.gz OEKGEMSWZOJHKM-IBGZPJMESA-N 1 1 418.497 2.935 20 0 HFADMO CS(=O)(=O)c1ccc([C@@H](O)C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1 ZINC000805752481 1079231275 /nfs/dbraw/zinc/23/12/75/1079231275.db2.gz APVHDJZQBDFKDO-NRFANRHFSA-N 1 1 407.507 2.944 20 0 HFADMO COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000747266171 1079235362 /nfs/dbraw/zinc/23/53/62/1079235362.db2.gz HDSRMCJOTKXMPM-VWILAXROSA-N 1 1 402.516 2.672 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)cc1Cl ZINC000747269020 1079250394 /nfs/dbraw/zinc/25/03/94/1079250394.db2.gz YXYLTDRJVIUKOC-NSHDSACASA-N 1 1 407.319 2.637 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c(Cl)cc1Cl ZINC000747269020 1079250398 /nfs/dbraw/zinc/25/03/98/1079250398.db2.gz YXYLTDRJVIUKOC-NSHDSACASA-N 1 1 407.319 2.637 20 0 HFADMO CCOC(=O)N1CCC(NC(=O)C[N@@H+](C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000805793414 1079258392 /nfs/dbraw/zinc/25/83/92/1079258392.db2.gz YSUBZTKGJFNZLP-WOJBJXKFSA-N 1 1 417.550 2.901 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)NCCc1cccc2cccnc21 ZINC000805761688 1079262657 /nfs/dbraw/zinc/26/26/57/1079262657.db2.gz FANAJQCZBXXXQN-FQEVSTJZSA-N 1 1 412.534 2.836 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)NCCc1cccc2cccnc21 ZINC000805761688 1079262658 /nfs/dbraw/zinc/26/26/58/1079262658.db2.gz FANAJQCZBXXXQN-FQEVSTJZSA-N 1 1 412.534 2.836 20 0 HFADMO CC(C)(CNC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805761712 1079262669 /nfs/dbraw/zinc/26/26/69/1079262669.db2.gz FKPAWGQVZCMPJZ-DEOSSOPVSA-N 1 1 408.546 2.504 20 0 HFADMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001130371003 1079271349 /nfs/dbraw/zinc/27/13/49/1079271349.db2.gz YUXGAJMIEFFNBR-AIANPOQGSA-N 1 1 411.468 2.993 20 0 HFADMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001130371005 1079271393 /nfs/dbraw/zinc/27/13/93/1079271393.db2.gz YUXGAJMIEFFNBR-PNBKFKSVSA-N 1 1 411.468 2.993 20 0 HFADMO COC(=O)N1CCC(CNC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000805833244 1079272847 /nfs/dbraw/zinc/27/28/47/1079272847.db2.gz VSWIFXJKDIIATF-SFHVURJKSA-N 1 1 402.539 2.771 20 0 HFADMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC(=O)N(C)CCOc1ccccc1F ZINC000805801479 1079280442 /nfs/dbraw/zinc/28/04/42/1079280442.db2.gz ZPDCCJXSMUKONX-RDJZCZTQSA-N 1 1 409.502 2.650 20 0 HFADMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC(=O)N(C)CCOc1ccccc1F ZINC000805801479 1079280448 /nfs/dbraw/zinc/28/04/48/1079280448.db2.gz ZPDCCJXSMUKONX-RDJZCZTQSA-N 1 1 409.502 2.650 20 0 HFADMO C[C@H]1C[NH+](Cc2ccc(C(=O)Oc3ccc(NS(C)(=O)=O)cc3)cc2)C[C@H](C)O1 ZINC000805860903 1079308637 /nfs/dbraw/zinc/30/86/37/1079308637.db2.gz LQNHUVCISACXJL-HOTGVXAUSA-N 1 1 418.515 2.887 20 0 HFADMO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)CCC2 ZINC000805940543 1079343700 /nfs/dbraw/zinc/34/37/00/1079343700.db2.gz STGMLMGMVQUMJH-PXNSSMCTSA-N 1 1 411.550 2.594 20 0 HFADMO COC(=O)[C@]1(NC(=O)C[C@H]2OCc3ccccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC001130448181 1079349295 /nfs/dbraw/zinc/34/92/95/1079349295.db2.gz LPWQGRKCQSIMPU-QPPBQGQZSA-N 1 1 408.498 2.972 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)ccc1F ZINC000747282605 1079355074 /nfs/dbraw/zinc/35/50/74/1079355074.db2.gz WRYDKBWIPCSSHC-MRXNPFEDSA-N 1 1 420.506 2.897 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)ccc1F ZINC000747282605 1079355079 /nfs/dbraw/zinc/35/50/79/1079355079.db2.gz WRYDKBWIPCSSHC-MRXNPFEDSA-N 1 1 420.506 2.897 20 0 HFADMO C[C@@H](CCNS(=O)(=O)c1ccc(N2CCOC2=O)cc1)[N@@H+](C)Cc1ccccc1 ZINC000747282391 1079355116 /nfs/dbraw/zinc/35/51/16/1079355116.db2.gz NVMJDIPWZYXJJQ-KRWDZBQOSA-N 1 1 417.531 2.832 20 0 HFADMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(N2CCOC2=O)cc1)c1ccc(Cl)cc1 ZINC000747284789 1079359432 /nfs/dbraw/zinc/35/94/32/1079359432.db2.gz VEVKWWQKIIUNBC-SFHVURJKSA-N 1 1 423.922 2.878 20 0 HFADMO CC[C@@H]1C[C@@H]([N@H+]2CCN(CC(N)=O)C(C)(C)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170494416 1079376760 /nfs/dbraw/zinc/37/67/60/1079376760.db2.gz VCZKKMYRGNXQBL-BCDXTJNWSA-N 1 1 410.603 2.825 20 0 HFADMO O=S(=O)(/C=C\c1ccc(Br)cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000747290084 1079388035 /nfs/dbraw/zinc/38/80/35/1079388035.db2.gz ABUBJGMHJRRVJB-AUWJEWJLSA-N 1 1 415.353 2.546 20 0 HFADMO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)C1 ZINC001130527386 1079436427 /nfs/dbraw/zinc/43/64/27/1079436427.db2.gz DYSZWYZEGJHTBL-ZRCGQRJVSA-N 1 1 403.542 2.701 20 0 HFADMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)C1 ZINC001130527386 1079436430 /nfs/dbraw/zinc/43/64/30/1079436430.db2.gz DYSZWYZEGJHTBL-ZRCGQRJVSA-N 1 1 403.542 2.701 20 0 HFADMO CC(C)C[N@@H+](C)CCCNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O ZINC001130523640 1079459062 /nfs/dbraw/zinc/45/90/62/1079459062.db2.gz HMDLSUKDXDNXMC-UHFFFAOYSA-N 1 1 408.502 2.586 20 0 HFADMO CN1CC[NH+](CCCOc2ccc(NC(=O)[C@@H]3CC(=O)Nc4ccccc43)cc2)CC1 ZINC001130541315 1079461946 /nfs/dbraw/zinc/46/19/46/1079461946.db2.gz AEJBSWINTUQPAD-OAQYLSRUSA-N 1 1 422.529 2.767 20 0 HFADMO CN1CC[NH+](CCCOc2ccc(NC(=O)c3ccc(-n4cccn4)nc3)cc2)CC1 ZINC001130541727 1079462518 /nfs/dbraw/zinc/46/25/18/1079462518.db2.gz HUISPYVFYODPQC-UHFFFAOYSA-N 1 1 420.517 2.536 20 0 HFADMO CN1CC[NH+](CCCOc2ccc(NC(=O)[C@@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC001130544331 1079475880 /nfs/dbraw/zinc/47/58/80/1079475880.db2.gz NMLGIDHKTGMRGO-LJQANCHMSA-N 1 1 401.551 2.991 20 0 HFADMO Cc1c(CC(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)nnn1-c1ccc(C)cc1 ZINC001130550948 1079487757 /nfs/dbraw/zinc/48/77/57/1079487757.db2.gz UDIIZXRLMSBLKO-QFIPXVFZSA-N 1 1 403.530 2.812 20 0 HFADMO Cc1c(CC(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)nnn1-c1ccc(C)cc1 ZINC001130550948 1079487758 /nfs/dbraw/zinc/48/77/58/1079487758.db2.gz UDIIZXRLMSBLKO-QFIPXVFZSA-N 1 1 403.530 2.812 20 0 HFADMO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000787332488 1076745199 /nfs/dbraw/zinc/74/51/99/1076745199.db2.gz LNDJXQIMLBDQKC-SCTDSRPQSA-N 1 1 424.586 2.527 20 0 HFADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccccc1I ZINC000787304061 1076751685 /nfs/dbraw/zinc/75/16/85/1076751685.db2.gz PWSJFLMFNMOSLW-AWEZNQCLSA-N 1 1 400.304 2.976 20 0 HFADMO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000787313487 1076758820 /nfs/dbraw/zinc/75/88/20/1076758820.db2.gz ZLWZLEWABJBILU-VQTJNVASSA-N 1 1 421.900 2.579 20 0 HFADMO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787316683 1076760292 /nfs/dbraw/zinc/76/02/92/1076760292.db2.gz JWTFXVHWTBYBRJ-CVEARBPZSA-N 1 1 405.543 2.690 20 0 HFADMO CN(CC1CC[NH+](C)CC1)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787317656 1076760639 /nfs/dbraw/zinc/76/06/39/1076760639.db2.gz KWYSBICFMOWJHZ-INIZCTEOSA-N 1 1 405.543 2.548 20 0 HFADMO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)[C@H]1C ZINC000787323086 1076764777 /nfs/dbraw/zinc/76/47/77/1076764777.db2.gz CLFKVOWTARYIFP-JENIJYKNSA-N 1 1 423.513 3.000 20 0 HFADMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)[C@H]1C ZINC000787323086 1076764785 /nfs/dbraw/zinc/76/47/85/1076764785.db2.gz CLFKVOWTARYIFP-JENIJYKNSA-N 1 1 423.513 3.000 20 0 HFADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000787326661 1076769402 /nfs/dbraw/zinc/76/94/02/1076769402.db2.gz QBTUGEYEIIGQKP-ZWKOTPCHSA-N 1 1 424.586 2.671 20 0 HFADMO C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001170072349 1076773107 /nfs/dbraw/zinc/77/31/07/1076773107.db2.gz KDNAIAPDZVIXEA-IAGOWNOFSA-N 1 1 405.502 2.587 20 0 HFADMO O=C(Cn1c(=O)c2ccccc2[nH]c1=S)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000746680470 1076777076 /nfs/dbraw/zinc/77/70/76/1076777076.db2.gz CYHYWCZNFCZAIW-LJQANCHMSA-N 1 1 408.527 2.639 20 0 HFADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@]2(Cc3ccccc3)CCN(C)C2=O)CC1 ZINC001170073173 1076815071 /nfs/dbraw/zinc/81/50/71/1076815071.db2.gz SGNHZQNKAIUSEO-NBGIEHNGSA-N 1 1 405.542 2.983 20 0 HFADMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787435127 1076822638 /nfs/dbraw/zinc/82/26/38/1076822638.db2.gz YUYSOBYIDSFDLD-IRXDYDNUSA-N 1 1 419.570 2.842 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(OC(C)C)c2)cn1 ZINC000787471413 1076835170 /nfs/dbraw/zinc/83/51/70/1076835170.db2.gz SFHLIXWHTDUUQO-UHFFFAOYSA-N 1 1 407.474 2.926 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(C)Cc2c(F)cccc2Cl)cn1 ZINC000787477784 1076837694 /nfs/dbraw/zinc/83/76/94/1076837694.db2.gz LHFAQAWJVNARNG-UHFFFAOYSA-N 1 1 415.856 2.643 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H](c2ccccc2C)C2CC2)cn1 ZINC000787477826 1076837772 /nfs/dbraw/zinc/83/77/72/1076837772.db2.gz MQCCUGAJBZYJLR-OAQYLSRUSA-N 1 1 403.486 2.768 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)cn1 ZINC000787483914 1076841917 /nfs/dbraw/zinc/84/19/17/1076841917.db2.gz BCTJLBLAUJUPTR-ZBFHGGJFSA-N 1 1 423.439 2.677 20 0 HFADMO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787483803 1076841989 /nfs/dbraw/zinc/84/19/89/1076841989.db2.gz TZKUUIKRKVCSQN-WBVHZDCISA-N 1 1 419.570 2.936 20 0 HFADMO COc1ccccc1[C@H]1CCCN1C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000787485177 1076842607 /nfs/dbraw/zinc/84/26/07/1076842607.db2.gz MXBLIIVONPOTSB-LJQANCHMSA-N 1 1 419.485 2.564 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(Cc2ccco2)Cc2ccco2)cn1 ZINC000787487162 1076843815 /nfs/dbraw/zinc/84/38/15/1076843815.db2.gz UKXMNLGIWXLOPM-UHFFFAOYSA-N 1 1 419.441 2.607 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)[nH]n2)C1 ZINC000787582072 1076871988 /nfs/dbraw/zinc/87/19/88/1076871988.db2.gz ROEMKBGTMCETRS-NVXWUHKLSA-N 1 1 417.554 2.881 20 0 HFADMO C[C@@H](Cc1ccco1)NC(=O)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000787607202 1076876035 /nfs/dbraw/zinc/87/60/35/1076876035.db2.gz ALJVDJGQTPXMTI-KXBFYZLASA-N 1 1 403.910 2.934 20 0 HFADMO O=C(NCCSC(F)(F)F)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000787608519 1076876880 /nfs/dbraw/zinc/87/68/80/1076876880.db2.gz IKORTRBFMUBTFM-CQSZACIVSA-N 1 1 423.888 2.962 20 0 HFADMO CS[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000787609942 1076877294 /nfs/dbraw/zinc/87/72/94/1076877294.db2.gz POGALMBYGOVQQF-KURKYZTESA-N 1 1 409.983 2.993 20 0 HFADMO COc1cc(/C=C\C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccc1OCc1c(C)noc1C ZINC000787631546 1076884964 /nfs/dbraw/zinc/88/49/64/1076884964.db2.gz UKWWCDUCMKKKFF-CIVUBALASA-N 1 1 411.502 2.912 20 0 HFADMO C[N@@H+]1CCN(c2nc(-c3cccnc3)nc3c2CCC3)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000746703546 1076907189 /nfs/dbraw/zinc/90/71/89/1076907189.db2.gz KHPWDAWLQUJJOV-QGZVFWFLSA-N 1 1 424.549 2.672 20 0 HFADMO C[N@H+]1CCN(c2nc(-c3cccnc3)nc3c2CCC3)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000746703546 1076907191 /nfs/dbraw/zinc/90/71/91/1076907191.db2.gz KHPWDAWLQUJJOV-QGZVFWFLSA-N 1 1 424.549 2.672 20 0 HFADMO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H]1C[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC000787680037 1076908966 /nfs/dbraw/zinc/90/89/66/1076908966.db2.gz ZZQXBWLAUVFXKA-SCTDSRPQSA-N 1 1 409.571 2.734 20 0 HFADMO C[N@@H+](CCCNC(=O)C(=O)N(C[C@H](O)c1ccc(F)cc1)C1CC1)C1CCCCC1 ZINC000787692224 1076914150 /nfs/dbraw/zinc/91/41/50/1076914150.db2.gz UOHXRFOQKNMWRV-NRFANRHFSA-N 1 1 419.541 2.621 20 0 HFADMO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O)CC2 ZINC000787709998 1076921314 /nfs/dbraw/zinc/92/13/14/1076921314.db2.gz ZJHYRRAXJZNQRU-DENIHFKCSA-N 1 1 406.523 2.822 20 0 HFADMO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O)CC2 ZINC000787709998 1076921315 /nfs/dbraw/zinc/92/13/15/1076921315.db2.gz ZJHYRRAXJZNQRU-DENIHFKCSA-N 1 1 406.523 2.822 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([N@H+]2CCCN(C(=O)c3ccsc3)CC2)C1 ZINC000787710582 1076922298 /nfs/dbraw/zinc/92/22/98/1076922298.db2.gz LWOXMIFQLIVFJD-UWJYYQICSA-N 1 1 423.579 2.656 20 0 HFADMO C[N@H+](CCOCCNC(=O)OC(C)(C)C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000787715247 1076923805 /nfs/dbraw/zinc/92/38/05/1076923805.db2.gz CMSAOFJMDWDQKN-KRWDZBQOSA-N 1 1 411.930 2.918 20 0 HFADMO C[N@@H+](CCOCCNC(=O)OC(C)(C)C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000787715247 1076923808 /nfs/dbraw/zinc/92/38/08/1076923808.db2.gz CMSAOFJMDWDQKN-KRWDZBQOSA-N 1 1 411.930 2.918 20 0 HFADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)OCc2nc(-c3nc[nH]n3)no2)c1 ZINC000787785930 1076945518 /nfs/dbraw/zinc/94/55/18/1076945518.db2.gz LYKNNHMUDLZPEK-UHFFFAOYSA-N 1 1 404.430 2.844 20 0 HFADMO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000787819823 1076953415 /nfs/dbraw/zinc/95/34/15/1076953415.db2.gz SBHMMASHPIXWTI-WOJBJXKFSA-N 1 1 406.885 2.920 20 0 HFADMO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000787819823 1076953416 /nfs/dbraw/zinc/95/34/16/1076953416.db2.gz SBHMMASHPIXWTI-WOJBJXKFSA-N 1 1 406.885 2.920 20 0 HFADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)c2cnn(CC(F)(F)F)c2)CC1 ZINC000787856174 1076982524 /nfs/dbraw/zinc/98/25/24/1076982524.db2.gz MMHGGJNMRVCOGK-HNNXBMFYSA-N 1 1 424.423 2.508 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCOc2ncccc2C(F)(F)F)cn1 ZINC000746713451 1076990091 /nfs/dbraw/zinc/99/00/91/1076990091.db2.gz SRLXEVZBJPOHLC-UHFFFAOYSA-N 1 1 420.395 2.868 20 0 HFADMO COc1ccccc1C[C@H]1CCC[N@@H+]1CN1C(=O)C(=O)N(Cc2ccccc2)C1=O ZINC000746714430 1077001493 /nfs/dbraw/zinc/00/14/93/1077001493.db2.gz OKKPOUBEKKMDRJ-LJQANCHMSA-N 1 1 407.470 2.651 20 0 HFADMO COc1ccccc1C[C@H]1CCC[N@H+]1CN1C(=O)C(=O)N(Cc2ccccc2)C1=O ZINC000746714430 1077001498 /nfs/dbraw/zinc/00/14/98/1077001498.db2.gz OKKPOUBEKKMDRJ-LJQANCHMSA-N 1 1 407.470 2.651 20 0 HFADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1cc(C)cnc1Cl ZINC000787898804 1077004190 /nfs/dbraw/zinc/00/41/90/1077004190.db2.gz NZSRPOHQOFSRDQ-KRWDZBQOSA-N 1 1 415.925 2.890 20 0 HFADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2cccc(Cl)c2-n2cccn2)CC1 ZINC000746718330 1077012430 /nfs/dbraw/zinc/01/24/30/1077012430.db2.gz ROGVLMSTAGJTAP-CQSZACIVSA-N 1 1 405.886 2.627 20 0 HFADMO C[C@H](Cc1ccco1)NC(=O)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000787972972 1077013741 /nfs/dbraw/zinc/01/37/41/1077013741.db2.gz FZXNZUPUMKHADX-MUKKUYKPSA-N 1 1 421.900 2.929 20 0 HFADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)OCC(=O)N(C)c3nccs3)cc2)C[C@@H](C)O1 ZINC000787988947 1077020206 /nfs/dbraw/zinc/02/02/06/1077020206.db2.gz SKCWNYPUWDZQAM-HUUCEWRRSA-N 1 1 403.504 2.572 20 0 HFADMO Cc1ccccc1CN1CC[NH+](CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000788009445 1077027600 /nfs/dbraw/zinc/02/76/00/1077027600.db2.gz SQPOVKVTIIEANR-UHFFFAOYSA-N 1 1 402.583 2.665 20 0 HFADMO O=C(NOC[C@H]1CCOC1)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000788089512 1077055571 /nfs/dbraw/zinc/05/55/71/1077055571.db2.gz DACGEPRNCVHZPX-HNNXBMFYSA-N 1 1 401.429 2.937 20 0 HFADMO C[C@@H](NC(=O)CC1CCC2(CC1)OCCO2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000788096475 1077057521 /nfs/dbraw/zinc/05/75/21/1077057521.db2.gz UXQFPJOFTUWTHU-NQIIRXRSSA-N 1 1 402.535 2.716 20 0 HFADMO C[C@@H](NC(=O)CC1CCC2(CC1)OCCO2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000788096475 1077057526 /nfs/dbraw/zinc/05/75/26/1077057526.db2.gz UXQFPJOFTUWTHU-NQIIRXRSSA-N 1 1 402.535 2.716 20 0 HFADMO O=C(NOC[C@H]1CCOC1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000788125937 1077060652 /nfs/dbraw/zinc/06/06/52/1077060652.db2.gz PSVWRJAUTMNVQA-INIZCTEOSA-N 1 1 401.429 2.891 20 0 HFADMO Cn1cc[nH+]c1N1CCC(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000788174599 1077066782 /nfs/dbraw/zinc/06/67/82/1077066782.db2.gz DEZOQOZSMONRQU-UHFFFAOYSA-N 1 1 413.522 2.844 20 0 HFADMO Cc1ccc(NC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1N1CCOC1=O ZINC000746731920 1077073624 /nfs/dbraw/zinc/07/36/24/1077073624.db2.gz ZFYHMTUXKCEXEQ-QHCPKHFHSA-N 1 1 424.501 2.710 20 0 HFADMO C[C@@]1(CCc2ccc3c(c2)OCO3)NC(=O)N(C[N@@H+]2CCSC(C)(C)CC2)C1=O ZINC000788376795 1077133559 /nfs/dbraw/zinc/13/35/59/1077133559.db2.gz CTQVBIAFPBCUIV-NRFANRHFSA-N 1 1 419.547 2.833 20 0 HFADMO C[C@@]1(CCc2ccc3c(c2)OCO3)NC(=O)N(C[N@H+]2CCSC(C)(C)CC2)C1=O ZINC000788376795 1077133561 /nfs/dbraw/zinc/13/35/61/1077133561.db2.gz CTQVBIAFPBCUIV-NRFANRHFSA-N 1 1 419.547 2.833 20 0 HFADMO CC[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)Nc1ccccc1OC ZINC000788471066 1077170278 /nfs/dbraw/zinc/17/02/78/1077170278.db2.gz SPMDWOJEJNGXNI-UHFFFAOYSA-N 1 1 420.554 2.508 20 0 HFADMO CC[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)Nc1ccccc1OC ZINC000788471066 1077170281 /nfs/dbraw/zinc/17/02/81/1077170281.db2.gz SPMDWOJEJNGXNI-UHFFFAOYSA-N 1 1 420.554 2.508 20 0 HFADMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000788476480 1077172436 /nfs/dbraw/zinc/17/24/36/1077172436.db2.gz QBTABQNWFIHBRS-MOPGFXCFSA-N 1 1 410.603 2.556 20 0 HFADMO CC[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)Nc1cccc(OC)c1 ZINC000788479115 1077173273 /nfs/dbraw/zinc/17/32/73/1077173273.db2.gz OFKWLBXLFFEYMN-UHFFFAOYSA-N 1 1 420.554 2.508 20 0 HFADMO CC[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)Nc1cccc(OC)c1 ZINC000788479115 1077173275 /nfs/dbraw/zinc/17/32/75/1077173275.db2.gz OFKWLBXLFFEYMN-UHFFFAOYSA-N 1 1 420.554 2.508 20 0 HFADMO CC(C)(C)OC(=O)N1CC2(CC([NH2+]CCN3CCN(Cc4ccccc4)CC3)C2)C1 ZINC000788500700 1077183413 /nfs/dbraw/zinc/18/34/13/1077183413.db2.gz CKKMWIDQVJUFRJ-UHFFFAOYSA-N 1 1 414.594 2.793 20 0 HFADMO C[C@@]1(CNC(=O)C(=O)NCCSC(F)(F)F)CCC[N@H+]1Cc1ccccc1 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CCC[C@@H](CCCS(C)(=O)=O)C(=O)O[C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000789421988 1077551797 /nfs/dbraw/zinc/55/17/97/1077551797.db2.gz NCMNETPLQCKUMV-ZWKOTPCHSA-N 1 1 411.568 2.847 20 0 HFADMO Cc1cc(F)cc(-n2cc(C(=O)O[C@H]3CCCN(c4cc(C)[nH+]c(C)n4)C3)nn2)c1 ZINC000789422720 1077552801 /nfs/dbraw/zinc/55/28/01/1077552801.db2.gz KSUVXZAZFKUHOH-SFHVURJKSA-N 1 1 410.453 2.947 20 0 HFADMO Cc1nnnn1/C(=C\c1ccccc1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000791821834 1077565096 /nfs/dbraw/zinc/56/50/96/1077565096.db2.gz FKRVWICLZVEQLZ-NBOCOGBRSA-N 1 1 402.502 2.618 20 0 HFADMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000791827113 1077575579 /nfs/dbraw/zinc/57/55/79/1077575579.db2.gz XBTJWQBWPXOQCU-INIZCTEOSA-N 1 1 408.470 2.935 20 0 HFADMO Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000791829124 1077576552 /nfs/dbraw/zinc/57/65/52/1077576552.db2.gz VFMBEPPFVHMJOX-CCULFSDZSA-N 1 1 420.492 2.757 20 0 HFADMO CS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000791829336 1077576579 /nfs/dbraw/zinc/57/65/79/1077576579.db2.gz VXIRYEZPLVHDES-MRXNPFEDSA-N 1 1 406.935 2.995 20 0 HFADMO Cc1ccc(CNC(=O)C2CC[NH+]([C@@H]3CC(=O)N(c4ccc(C)cc4)C3=O)CC2)cc1 ZINC000746817483 1077586711 /nfs/dbraw/zinc/58/67/11/1077586711.db2.gz ZTJCYGVVWWBLJR-JOCHJYFZSA-N 1 1 419.525 2.964 20 0 HFADMO Cc1nc(Cl)ccc1NC(=O)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000789487160 1077590174 /nfs/dbraw/zinc/59/01/74/1077590174.db2.gz UENKFOLXVWOGAU-UHFFFAOYSA-N 1 1 422.957 2.912 20 0 HFADMO Cc1c(C(=O)OC[C@@H](C)O)nnn1-c1cccc2c1CC[N@H+](Cc1ccccc1F)C2 ZINC000791906859 1077591693 /nfs/dbraw/zinc/59/16/93/1077591693.db2.gz JFKKGOKECRMVPD-OAHLLOKOSA-N 1 1 424.476 2.811 20 0 HFADMO Cc1c(C(=O)OC[C@@H](C)O)nnn1-c1cccc2c1CC[N@@H+](Cc1ccccc1F)C2 ZINC000791906859 1077591696 /nfs/dbraw/zinc/59/16/96/1077591696.db2.gz JFKKGOKECRMVPD-OAHLLOKOSA-N 1 1 424.476 2.811 20 0 HFADMO C[C@]1(c2ccc(Br)cc2)NC(=O)N(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)C1=O ZINC000789507806 1077601328 /nfs/dbraw/zinc/60/13/28/1077601328.db2.gz PIMHGXKUOAFYPP-TXPKVOOTSA-N 1 1 422.323 2.817 20 0 HFADMO C[C@]1(c2ccc(Br)cc2)NC(=O)N(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)C1=O ZINC000789507806 1077601330 /nfs/dbraw/zinc/60/13/30/1077601330.db2.gz PIMHGXKUOAFYPP-TXPKVOOTSA-N 1 1 422.323 2.817 20 0 HFADMO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1ncc(OCc2ccccc2)cn1 ZINC001170161118 1077605688 /nfs/dbraw/zinc/60/56/88/1077605688.db2.gz BWLDXVYJQFRZCN-UHFFFAOYSA-N 1 1 404.474 2.924 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@@](C)(O)c2ccccc2C(F)(F)F)CC1 ZINC000791912769 1077608408 /nfs/dbraw/zinc/60/84/08/1077608408.db2.gz SYQJTBRQIMIVFM-IBGZPJMESA-N 1 1 402.457 2.872 20 0 HFADMO O=C(CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccc(F)c(F)c1 ZINC000791974330 1077616502 /nfs/dbraw/zinc/61/65/02/1077616502.db2.gz TVXJDUPYLPVDDW-INIZCTEOSA-N 1 1 402.445 2.725 20 0 HFADMO CSCc1noc(CCC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)n1 ZINC000746826793 1077627664 /nfs/dbraw/zinc/62/76/64/1077627664.db2.gz QBQAPBKVSSTEHT-UHFFFAOYSA-N 1 1 409.943 2.909 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000792057012 1077664209 /nfs/dbraw/zinc/66/42/09/1077664209.db2.gz LSUGZUSFBOGVRX-JPYJTQIMSA-N 1 1 423.513 2.978 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCC2(c3ccc(F)cc3)CC2)CC1 ZINC000792061367 1077668617 /nfs/dbraw/zinc/66/86/17/1077668617.db2.gz NBRANVUFCOULTP-UHFFFAOYSA-N 1 1 405.514 2.916 20 0 HFADMO CCC(=O)Nc1ccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000792062344 1077669696 /nfs/dbraw/zinc/66/96/96/1077669696.db2.gz UXPZPYKSCGOQMS-UHFFFAOYSA-N 1 1 404.511 2.916 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2cccc3c2OC(C)(C)C3)cn1 ZINC000789558645 1077677321 /nfs/dbraw/zinc/67/73/21/1077677321.db2.gz SDSDHKBHZBJKGA-UHFFFAOYSA-N 1 1 405.458 2.544 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCCN(c3ccccc3)CC2)CC1 ZINC000792072797 1077679355 /nfs/dbraw/zinc/67/93/55/1077679355.db2.gz ASJBNXKGDPTPKQ-UHFFFAOYSA-N 1 1 416.566 2.668 20 0 HFADMO CC(C)(C)OC(=O)NCCCNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792075574 1077681778 /nfs/dbraw/zinc/68/17/78/1077681778.db2.gz LEYVWDYFTKPSPC-KDURUIRLSA-N 1 1 402.539 2.675 20 0 HFADMO CNC(=O)c1ccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1Cl ZINC000792075681 1077681934 /nfs/dbraw/zinc/68/19/34/1077681934.db2.gz PUUQAXYDPLCLAO-UHFFFAOYSA-N 1 1 424.929 2.581 20 0 HFADMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+]C[C@@H]1CC(C(N)=O)=NO1 ZINC000789562691 1077682434 /nfs/dbraw/zinc/68/24/34/1077682434.db2.gz YOTQCVFOPHSEKY-SFHVURJKSA-N 1 1 423.448 2.832 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2ccc(-n3ccnc3)c(F)c2)CC1 ZINC000792077966 1077685671 /nfs/dbraw/zinc/68/56/71/1077685671.db2.gz ZCTDOEOIFBRBOZ-UHFFFAOYSA-N 1 1 417.485 2.893 20 0 HFADMO CCOCc1ccc(CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000792047801 1077692899 /nfs/dbraw/zinc/69/28/99/1077692899.db2.gz FSROPOVOIJTUJE-UHFFFAOYSA-N 1 1 405.539 2.782 20 0 HFADMO Cc1nc(C[NH+]2CCC(CNC(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)CC2)oc1C ZINC000792084756 1077708216 /nfs/dbraw/zinc/70/82/16/1077708216.db2.gz NSPMUENVXYYXSR-CQSZACIVSA-N 1 1 423.558 2.716 20 0 HFADMO COc1cccc(C2=NO[C@H](C(=O)NCc3cccc(C[N@@H+]4CCO[C@H](C)C4)c3)C2)c1 ZINC000792087134 1077710150 /nfs/dbraw/zinc/71/01/50/1077710150.db2.gz YKOFIMJXAJWNMG-HXOBKFHXSA-N 1 1 423.513 2.725 20 0 HFADMO COc1cccc(C2=NO[C@H](C(=O)NCc3cccc(C[N@H+]4CCO[C@H](C)C4)c3)C2)c1 ZINC000792087134 1077710160 /nfs/dbraw/zinc/71/01/60/1077710160.db2.gz YKOFIMJXAJWNMG-HXOBKFHXSA-N 1 1 423.513 2.725 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2ccc(-c3ncon3)cc2)CC1 ZINC000792125953 1077715240 /nfs/dbraw/zinc/71/52/40/1077715240.db2.gz ANIXYFUTVGTEIW-UHFFFAOYSA-N 1 1 401.467 2.618 20 0 HFADMO C[C@H](O[NH+]=C(N)CCNC(=O)OC(C)(C)C)C(=O)N1CCSc2ccccc21 ZINC000789646124 1077718065 /nfs/dbraw/zinc/71/80/65/1077718065.db2.gz XJTRBMODSAJBHV-ZDUSSCGKSA-N 1 1 408.524 2.927 20 0 HFADMO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000789651317 1077719284 /nfs/dbraw/zinc/71/92/84/1077719284.db2.gz FWKCBOPCPUQJRC-HKUYNNGSSA-N 1 1 412.559 2.726 20 0 HFADMO CC(C)(C)OC(=O)N1CC(CNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000792152061 1077724454 /nfs/dbraw/zinc/72/44/54/1077724454.db2.gz HFUMDLLFGZTYQM-SFHVURJKSA-N 1 1 402.539 2.675 20 0 HFADMO Cc1sc2nc(CN3CC[NH+](C[C@H]4CC5(CCC5)C(=O)O4)CC3)[nH]c(=O)c2c1C ZINC000792208388 1077731155 /nfs/dbraw/zinc/73/11/55/1077731155.db2.gz GIRKTFUEZWBYQI-OAHLLOKOSA-N 1 1 416.547 2.617 20 0 HFADMO CC(C)(C)OC(=O)NC[C@H](C(=O)NCC[NH+]1CCSCC1)c1ccc(F)cc1 ZINC000792166629 1077732627 /nfs/dbraw/zinc/73/26/27/1077732627.db2.gz XOGNSXMFVGKJNJ-KRWDZBQOSA-N 1 1 411.543 2.599 20 0 HFADMO COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)Nc2ccc(Cl)nc2C)CC1 ZINC000789699026 1077733833 /nfs/dbraw/zinc/73/38/33/1077733833.db2.gz UIDCLIVTZZLGHR-UHFFFAOYSA-N 1 1 410.946 2.579 20 0 HFADMO CCOC(=O)Cc1ccccc1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792175806 1077734828 /nfs/dbraw/zinc/73/48/28/1077734828.db2.gz GCRYARHFTPUVNO-UHFFFAOYSA-N 1 1 419.522 2.674 20 0 HFADMO CN(C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCc2ccccc2C1 ZINC000792175804 1077734932 /nfs/dbraw/zinc/73/49/32/1077734932.db2.gz GCMQBXITPACQSU-FQEVSTJZSA-N 1 1 401.551 2.945 20 0 HFADMO COC1(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000746843149 1077737870 /nfs/dbraw/zinc/73/78/70/1077737870.db2.gz DELOSMIHBCOFKM-UHFFFAOYSA-N 1 1 411.587 2.981 20 0 HFADMO C[C@@H](CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)C[NH+]1CCOCC1 ZINC000792193897 1077739989 /nfs/dbraw/zinc/73/99/89/1077739989.db2.gz LPLTUFBYIBQDBZ-LPHOPBHVSA-N 1 1 423.529 2.519 20 0 HFADMO C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)Oc1ccc(F)cc1 ZINC000792199932 1077742408 /nfs/dbraw/zinc/74/24/08/1077742408.db2.gz NSHLPXIUXPALSF-INIZCTEOSA-N 1 1 409.502 2.652 20 0 HFADMO C[C@H](CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)Oc1ccccc1F ZINC000792199195 1077742707 /nfs/dbraw/zinc/74/27/07/1077742707.db2.gz HYDAWCXNVWKPRN-MRXNPFEDSA-N 1 1 409.502 2.652 20 0 HFADMO Cc1cnc([C@H](NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C2CC2)s1 ZINC000792201799 1077744012 /nfs/dbraw/zinc/74/40/12/1077744012.db2.gz WBOFBBIYZDNVGF-QGZVFWFLSA-N 1 1 408.568 2.962 20 0 HFADMO Cc1nc2cc(NC(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)ccc2n1C ZINC000792206364 1077745859 /nfs/dbraw/zinc/74/58/59/1077745859.db2.gz IBUXORBMULELGE-UHFFFAOYSA-N 1 1 401.511 2.763 20 0 HFADMO C[C@H](C[C@@H](O)c1ccccc1)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792220716 1077747207 /nfs/dbraw/zinc/74/72/07/1077747207.db2.gz LOYBREXNUDZUCO-IEBWSBKVSA-N 1 1 405.539 2.558 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000792222674 1077748415 /nfs/dbraw/zinc/74/84/15/1077748415.db2.gz IWRSOFXQTRFBTE-UQNRQAKVSA-N 1 1 423.513 2.976 20 0 HFADMO Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000792228082 1077752905 /nfs/dbraw/zinc/75/29/05/1077752905.db2.gz RATFGAVSSCUIBM-ILWGZMRPSA-N 1 1 411.550 2.540 20 0 HFADMO CS(=O)(=O)N(CC[N@H+](C[C@@H](O)c1ccc(F)cc1)C1CC1)Cc1ccccc1 ZINC000792236320 1077758575 /nfs/dbraw/zinc/75/85/75/1077758575.db2.gz JRMDZLMHANOFEG-OAQYLSRUSA-N 1 1 406.523 2.785 20 0 HFADMO CS(=O)(=O)N(CC[N@@H+](C[C@@H](O)c1ccc(F)cc1)C1CC1)Cc1ccccc1 ZINC000792236320 1077758589 /nfs/dbraw/zinc/75/85/89/1077758589.db2.gz JRMDZLMHANOFEG-OAQYLSRUSA-N 1 1 406.523 2.785 20 0 HFADMO COC(=O)[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792239317 1077759998 /nfs/dbraw/zinc/75/99/98/1077759998.db2.gz FSQGYXLFRJADIN-MSOLQXFVSA-N 1 1 406.910 2.658 20 0 HFADMO C[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1ccc([S@](C)=O)cc1 ZINC000792279023 1077772530 /nfs/dbraw/zinc/77/25/30/1077772530.db2.gz QBIBUXKDGFBSBP-OFJJUDJNSA-N 1 1 423.579 2.544 20 0 HFADMO C[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000792279021 1077772656 /nfs/dbraw/zinc/77/26/56/1077772656.db2.gz QBIBUXKDGFBSBP-GUNSETOZSA-N 1 1 423.579 2.544 20 0 HFADMO COc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000792253767 1077780685 /nfs/dbraw/zinc/78/06/85/1077780685.db2.gz VMMXKBCBBPRGSY-KRWDZBQOSA-N 1 1 420.554 2.826 20 0 HFADMO CCc1c(C(=O)OCCC[NH+]2CCN(C(C)C)CC2)nnn1Cc1ccc(F)cc1 ZINC000792254399 1077781164 /nfs/dbraw/zinc/78/11/64/1077781164.db2.gz JTCKPNVASLJLBN-UHFFFAOYSA-N 1 1 417.529 2.601 20 0 HFADMO Cc1nc([C@@H]2CCCCCN2C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)no1 ZINC000792302551 1077796347 /nfs/dbraw/zinc/79/63/47/1077796347.db2.gz IKHLEOPSABPJQB-KRWDZBQOSA-N 1 1 421.542 2.765 20 0 HFADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792304497 1077797587 /nfs/dbraw/zinc/79/75/87/1077797587.db2.gz OPDOANNTAPGPNR-LJQANCHMSA-N 1 1 418.582 2.566 20 0 HFADMO COc1ccc(CC(=O)OCC[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)cc1F ZINC000789792371 1077797979 /nfs/dbraw/zinc/79/79/79/1077797979.db2.gz RDYWFCRFQBMGAS-UHFFFAOYSA-N 1 1 410.486 2.863 20 0 HFADMO COc1ccc(CC(=O)OCC[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)cc1F ZINC000789792371 1077797984 /nfs/dbraw/zinc/79/79/84/1077797984.db2.gz RDYWFCRFQBMGAS-UHFFFAOYSA-N 1 1 410.486 2.863 20 0 HFADMO C[C@@H](NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000792308807 1077799435 /nfs/dbraw/zinc/79/94/35/1077799435.db2.gz HNGVXMMNNDHLME-RTBURBONSA-N 1 1 422.614 2.698 20 0 HFADMO COC(=O)Nc1ccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1F ZINC000792310899 1077800902 /nfs/dbraw/zinc/80/09/02/1077800902.db2.gz MZNMVEMXDGKHDJ-UHFFFAOYSA-N 1 1 424.473 2.885 20 0 HFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000792315717 1077803842 /nfs/dbraw/zinc/80/38/42/1077803842.db2.gz FUCJGHGUIMFWSM-IAGOWNOFSA-N 1 1 412.575 2.527 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000792330010 1077809795 /nfs/dbraw/zinc/80/97/95/1077809795.db2.gz SLXLGZLCPDFOAH-VQTJNVASSA-N 1 1 417.550 2.966 20 0 HFADMO CCSc1cc(CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)ccn1 ZINC000792339025 1077825462 /nfs/dbraw/zinc/82/54/62/1077825462.db2.gz PWLJCWJKCLPQPT-UHFFFAOYSA-N 1 1 408.568 2.753 20 0 HFADMO O=C(C[NH+]1CCC(Oc2ccc(F)nc2)CC1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000792390681 1077831735 /nfs/dbraw/zinc/83/17/35/1077831735.db2.gz ULPDZJYYHNEORG-FQEVSTJZSA-N 1 1 417.456 2.803 20 0 HFADMO COc1nc(Br)ccc1NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000789878213 1077832875 /nfs/dbraw/zinc/83/28/75/1077832875.db2.gz MYEUDDBFCMJEHH-UHFFFAOYSA-N 1 1 419.323 2.852 20 0 HFADMO CN(C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789883557 1077834833 /nfs/dbraw/zinc/83/48/33/1077834833.db2.gz AFXJKRIWKZIRHT-FCHUYYIVSA-N 1 1 406.530 2.553 20 0 HFADMO O=C(CC[N@@H+]1CCO[C@@H](COc2ccccc2)C1)Nc1ccccc1C(=O)NC1CC1 ZINC000792378621 1077843934 /nfs/dbraw/zinc/84/39/34/1077843934.db2.gz YELPBMHZXYKXDB-HXUWFJFHSA-N 1 1 423.513 2.687 20 0 HFADMO O=C(CC[N@H+]1CCO[C@@H](COc2ccccc2)C1)Nc1ccccc1C(=O)NC1CC1 ZINC000792378621 1077843939 /nfs/dbraw/zinc/84/39/39/1077843939.db2.gz YELPBMHZXYKXDB-HXUWFJFHSA-N 1 1 423.513 2.687 20 0 HFADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)c2nc3cccnc3s2)CC1 ZINC000792382113 1077845910 /nfs/dbraw/zinc/84/59/10/1077845910.db2.gz RSKJVRGPVNFUFL-OAHLLOKOSA-N 1 1 410.499 2.754 20 0 HFADMO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1nc(Br)cs1 ZINC000792424245 1077850877 /nfs/dbraw/zinc/85/08/77/1077850877.db2.gz MXJCDHWSNXVQQC-KBPBESRZSA-N 1 1 410.337 2.518 20 0 HFADMO COC(=O)c1cccc2cnc(N(C(N)=[NH2+])c3ccc(N4CCOCC4)cc3)cc21 ZINC001170166773 1077854878 /nfs/dbraw/zinc/85/48/78/1077854878.db2.gz PXSFUTKZJJIXEQ-UHFFFAOYSA-N 1 1 405.458 2.890 20 0 HFADMO Cc1c[nH+]ccc1OC1CCN(C(=O)COC2(C)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000772796139 1077856598 /nfs/dbraw/zinc/85/65/98/1077856598.db2.gz GJOVHLUSDNPYPS-UHFFFAOYSA-N 1 1 419.522 2.786 20 0 HFADMO CNC(=O)c1cncc(/C=C/C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000746864716 1077862541 /nfs/dbraw/zinc/86/25/41/1077862541.db2.gz HEXGPCXRDUPCFI-REJWQLKLSA-N 1 1 418.541 2.969 20 0 HFADMO CNC(=O)c1cncc(/C=C\C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000746864715 1077862598 /nfs/dbraw/zinc/86/25/98/1077862598.db2.gz HEXGPCXRDUPCFI-KWQGRVAKSA-N 1 1 418.541 2.969 20 0 HFADMO CC[NH+]1CCN(c2ccc(C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)cc2F)CC1 ZINC000792499524 1077868764 /nfs/dbraw/zinc/86/87/64/1077868764.db2.gz CVFBTEMYKSGJQM-HNNXBMFYSA-N 1 1 408.518 2.611 20 0 HFADMO Cc1ccccc1C[NH+]1CCN(C(=O)COc2ccc(Br)nc2)CC1 ZINC000789967223 1077874983 /nfs/dbraw/zinc/87/49/83/1077874983.db2.gz JPGHGTWPWXTEHE-UHFFFAOYSA-N 1 1 404.308 2.876 20 0 HFADMO CC[C@@H]1C[C@@H]([N@H+]2C[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C[C@]3(C(=O)OC)C2)CCO1 ZINC001170207208 1077906527 /nfs/dbraw/zinc/90/65/27/1077906527.db2.gz KGOSOPFFSIBLGA-LVIHOWEASA-N 1 1 422.566 2.922 20 0 HFADMO CC[C@H]1C[C@H]([N@H+]2CC[C@@H]3CN(Cc4cccc(OC)c4)S(=O)(=O)[C@@H]3CC2)CCO1 ZINC001170214705 1077908809 /nfs/dbraw/zinc/90/88/09/1077908809.db2.gz SOXCTTJZCLQLDG-XWSHUIEDSA-N 1 1 422.591 2.879 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001170274446 1077926237 /nfs/dbraw/zinc/92/62/37/1077926237.db2.gz RJRZXMYOLCBGMS-AFYVEPGGSA-N 1 1 406.954 2.714 20 0 HFADMO C[C@@H](Cc1ccccc1Cl)[N@H+]1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001170275362 1077926536 /nfs/dbraw/zinc/92/65/36/1077926536.db2.gz GPSATDLCEBBDHK-HPBDAGMYSA-N 1 1 400.910 2.894 20 0 HFADMO NC(=O)c1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H](n3ccnc3)C1)CCCC2 ZINC000772746675 1077928153 /nfs/dbraw/zinc/92/81/53/1077928153.db2.gz FDNDVZWHTBRLJZ-CQSZACIVSA-N 1 1 401.536 2.588 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@H]2CO[C@H](CNC(=O)c3cnn(C)c3)[C@H]2C1 ZINC001170285716 1077938057 /nfs/dbraw/zinc/93/80/57/1077938057.db2.gz UQGNPCPGAXGUOW-ZWVMGRIOSA-N 1 1 416.953 2.771 20 0 HFADMO CC1(C)C[C@H](O)CC[N@@H+](CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)C1 ZINC001170307763 1077948092 /nfs/dbraw/zinc/94/80/92/1077948092.db2.gz HXANAKQEYGMJKU-GOSISDBHSA-N 1 1 402.535 2.826 20 0 HFADMO CCOC(=O)N1[C@H](C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1c1ccc(C)o1 ZINC000790129156 1077951764 /nfs/dbraw/zinc/95/17/64/1077951764.db2.gz YILGEBRKLUYDOC-RDGPPVDQSA-N 1 1 421.538 2.818 20 0 HFADMO CCOC(=O)N1[C@H](C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1c1ccc(C)o1 ZINC000790129156 1077951765 /nfs/dbraw/zinc/95/17/65/1077951765.db2.gz YILGEBRKLUYDOC-RDGPPVDQSA-N 1 1 421.538 2.818 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000790122332 1077958147 /nfs/dbraw/zinc/95/81/47/1077958147.db2.gz RQSOCWJOABDTLY-GOSISDBHSA-N 1 1 405.539 2.822 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000790122332 1077958149 /nfs/dbraw/zinc/95/81/49/1077958149.db2.gz RQSOCWJOABDTLY-GOSISDBHSA-N 1 1 405.539 2.822 20 0 HFADMO COc1ccccc1C(=O)N1CC[NH+](CCC(=O)Nc2ccc(N(C)C)cc2)CC1 ZINC000790124122 1077958901 /nfs/dbraw/zinc/95/89/01/1077958901.db2.gz KYJKZDBRURZZAH-UHFFFAOYSA-N 1 1 410.518 2.548 20 0 HFADMO 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Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000790170334 1077964462 /nfs/dbraw/zinc/96/44/62/1077964462.db2.gz RZEUCTARCRVCLO-APWZRJJASA-N 1 1 402.491 2.986 20 0 HFADMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000790170334 1077964466 /nfs/dbraw/zinc/96/44/66/1077964466.db2.gz RZEUCTARCRVCLO-APWZRJJASA-N 1 1 402.491 2.986 20 0 HFADMO COc1cc(NC(=O)C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c(OC)cc1Cl ZINC001170411460 1077966537 /nfs/dbraw/zinc/96/65/37/1077966537.db2.gz MHHSPCADMNVWQM-ZDUSSCGKSA-N 1 1 411.930 2.909 20 0 HFADMO COc1cc(NC(=O)C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c(OC)cc1Cl ZINC001170411460 1077966542 /nfs/dbraw/zinc/96/65/42/1077966542.db2.gz MHHSPCADMNVWQM-ZDUSSCGKSA-N 1 1 411.930 2.909 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000790201836 1077968535 /nfs/dbraw/zinc/96/85/35/1077968535.db2.gz DJKCJNBUNXMQOM-CQSZACIVSA-N 1 1 422.489 2.824 20 0 HFADMO C[C@H](OC(=O)Cc1ccc(Cl)cn1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792718775 1077973841 /nfs/dbraw/zinc/97/38/41/1077973841.db2.gz QAJLVHVWMFDBCL-HNAYVOBHSA-N 1 1 401.894 2.600 20 0 HFADMO S=C(NCCc1ccc2c(c1)OCCO2)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000772821252 1077992618 /nfs/dbraw/zinc/99/26/18/1077992618.db2.gz WWYZQFXWUAQJSN-MJGOQNOKSA-N 1 1 401.576 2.824 20 0 HFADMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+]([C@@H]2CCN(C3CCOCC3)C2=O)[C@H]2CCCC[C@H]12 ZINC000790315723 1077994977 /nfs/dbraw/zinc/99/49/77/1077994977.db2.gz XXVSASDJHWJUKC-ACKJQQFISA-N 1 1 419.610 2.950 20 0 HFADMO C[N@@H+]1CC[C@H](CNS(=O)(=O)C[C@H]2CCCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000792769079 1077997391 /nfs/dbraw/zinc/99/73/91/1077997391.db2.gz CTEDWCNRSUPNAO-JCKWVBRZSA-N 1 1 404.935 2.818 20 0 HFADMO C[N@H+]1CC[C@H](CNS(=O)(=O)C[C@H]2CCCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000792769079 1077997392 /nfs/dbraw/zinc/99/73/92/1077997392.db2.gz CTEDWCNRSUPNAO-JCKWVBRZSA-N 1 1 404.935 2.818 20 0 HFADMO CCC[N@@H+]([C@H]1CCN(C2CCOCC2)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000790300362 1077999151 /nfs/dbraw/zinc/99/91/51/1077999151.db2.gz VDDCYUMUAHFTML-IBGZPJMESA-N 1 1 409.571 2.878 20 0 HFADMO CC[N@H+]1CCC[C@@H]1CNC(=S)N(CCO)Cc1ccc(Br)s1 ZINC000790357078 1078003182 /nfs/dbraw/zinc/00/31/82/1078003182.db2.gz RFYMLBMCHMRXAP-GFCCVEGCSA-N 1 1 406.415 2.664 20 0 HFADMO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CN1C[C@@]2(CN3CCC2CC3)OC1=O ZINC000790364063 1078005033 /nfs/dbraw/zinc/00/50/33/1078005033.db2.gz DGCAWXNLVNCOMT-XUZZJYLKSA-N 1 1 412.578 2.705 20 0 HFADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CN1C[C@@]2(CN3CCC2CC3)OC1=O ZINC000790364063 1078005039 /nfs/dbraw/zinc/00/50/39/1078005039.db2.gz DGCAWXNLVNCOMT-XUZZJYLKSA-N 1 1 412.578 2.705 20 0 HFADMO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CN1C[C@@]2(CN3CCC2CC3)OC1=O ZINC000790364066 1078005085 /nfs/dbraw/zinc/00/50/85/1078005085.db2.gz DGCAWXNLVNCOMT-ZJSXRUAMSA-N 1 1 412.578 2.705 20 0 HFADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CN1C[C@@]2(CN3CCC2CC3)OC1=O ZINC000790364066 1078005090 /nfs/dbraw/zinc/00/50/90/1078005090.db2.gz DGCAWXNLVNCOMT-ZJSXRUAMSA-N 1 1 412.578 2.705 20 0 HFADMO Cc1[nH+]ccn1CCCNC(=O)c1nc(Br)ccc1Br ZINC000790379089 1078008443 /nfs/dbraw/zinc/00/84/43/1078008443.db2.gz AEHCYAXCANDKMT-UHFFFAOYSA-N 1 1 402.090 2.932 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)NC1(C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC001170421913 1078009245 /nfs/dbraw/zinc/00/92/45/1078009245.db2.gz SPNSQJAWWGDWSX-HXUWFJFHSA-N 1 1 409.530 2.846 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000792867212 1078011867 /nfs/dbraw/zinc/01/18/67/1078011867.db2.gz MLHXFWNFNBYHCP-OKZBNKHCSA-N 1 1 400.585 2.923 20 0 HFADMO O=C(NC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1)OCc1ccccc1 ZINC000792871992 1078012152 /nfs/dbraw/zinc/01/21/52/1078012152.db2.gz MEQHWJXWVHRWAR-ACRUOGEOSA-N 1 1 414.550 2.961 20 0 HFADMO COc1cc(Cl)c(S(=O)(=O)NCc2cccnc2-n2cc[nH+]c2C)cc1OC ZINC000790366044 1078015095 /nfs/dbraw/zinc/01/50/95/1078015095.db2.gz 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Cc1ccc2c(c1)CCN(CN1C(=O)N[C@@]3(CCC[N@@H+](Cc4ccccc4)C3)C1=O)C2 ZINC000790453477 1078036460 /nfs/dbraw/zinc/03/64/60/1078036460.db2.gz XMZNUQWSHVVGPK-RUZDIDTESA-N 1 1 418.541 2.897 20 0 HFADMO CCN1CCN(C[C@H](C)C[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000790471495 1078039072 /nfs/dbraw/zinc/03/90/72/1078039072.db2.gz QWGCFOHYFPZRJY-HXUWFJFHSA-N 1 1 402.583 2.651 20 0 HFADMO C[C@H]1CCSCC[N@@H+]1Cn1c(=O)oc2cc(I)ccc21 ZINC000790476341 1078040299 /nfs/dbraw/zinc/04/02/99/1078040299.db2.gz DWWMHLQJVNQVSF-JTQLQIEISA-N 1 1 404.273 2.984 20 0 HFADMO C[C@H]1CCSCC[N@H+]1Cn1c(=O)oc2cc(I)ccc21 ZINC000790476341 1078040305 /nfs/dbraw/zinc/04/03/05/1078040305.db2.gz DWWMHLQJVNQVSF-JTQLQIEISA-N 1 1 404.273 2.984 20 0 HFADMO C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)Nc3ccccc3)CC2)C1 ZINC001170137237 1078041494 /nfs/dbraw/zinc/04/14/94/1078041494.db2.gz NIMQLMWMEVVTQC-KHHDVDEJSA-N 1 1 419.591 2.930 20 0 HFADMO CCc1ccc([C@@H](O)CNC(=O)Nc2ccc(C(=O)N3CC[NH+](CC)CC3)cc2)cc1 ZINC000806238395 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1079588150 /nfs/dbraw/zinc/58/81/50/1079588150.db2.gz PYGZSDLHFKQJAR-VBQJREDUSA-N 1 1 417.472 2.926 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000747324677 1079592982 /nfs/dbraw/zinc/59/29/82/1079592982.db2.gz CXMDKHVGQSFAGC-WOJBJXKFSA-N 1 1 403.486 2.527 20 0 HFADMO C[N@H+]1CCCC[C@@H]1CCC(=O)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000806324295 1079594590 /nfs/dbraw/zinc/59/45/90/1079594590.db2.gz LZGAZENJIGVCJX-HXUWFJFHSA-N 1 1 420.513 2.778 20 0 HFADMO CN(C)CC[NH+]1CCC(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)CC1 ZINC000806371180 1079658043 /nfs/dbraw/zinc/65/80/43/1079658043.db2.gz HLCGCVYOTAETAP-XMMPIXPASA-N 1 1 424.589 2.958 20 0 HFADMO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)CCC2 ZINC000806426184 1079670532 /nfs/dbraw/zinc/67/05/32/1079670532.db2.gz YSKLBZICOMLMFC-HKUYNNGSSA-N 1 1 412.559 2.726 20 0 HFADMO CCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000806436041 1079682518 /nfs/dbraw/zinc/68/25/18/1079682518.db2.gz BCTSBWGYZRRYNE-DOTOQJQBSA-N 1 1 408.568 2.805 20 0 HFADMO CCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000806436041 1079682521 /nfs/dbraw/zinc/68/25/21/1079682521.db2.gz BCTSBWGYZRRYNE-DOTOQJQBSA-N 1 1 408.568 2.805 20 0 HFADMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccon2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000806397207 1079685148 /nfs/dbraw/zinc/68/51/48/1079685148.db2.gz WRZPSJOJXXEICX-DLBZAZTESA-N 1 1 422.888 2.814 20 0 HFADMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ccon2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000806397207 1079685156 /nfs/dbraw/zinc/68/51/56/1079685156.db2.gz WRZPSJOJXXEICX-DLBZAZTESA-N 1 1 422.888 2.814 20 0 HFADMO C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2ccon2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000806398912 1079685766 /nfs/dbraw/zinc/68/57/66/1079685766.db2.gz XWOATVOGELGTRT-WMLDXEAASA-N 1 1 424.423 2.509 20 0 HFADMO C[N@@H+](CCCNC(=O)N1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1)C1CCCCC1 ZINC000806399496 1079687776 /nfs/dbraw/zinc/68/77/76/1079687776.db2.gz PWDALNQMARBAGL-UYAOXDASSA-N 1 1 424.586 2.720 20 0 HFADMO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000806506184 1079756292 /nfs/dbraw/zinc/75/62/92/1079756292.db2.gz MFCJYRLSNNRQOW-GOSISDBHSA-N 1 1 414.510 2.728 20 0 HFADMO C[C@H](C(=O)N1CC[NH+](CCc2cccs2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806566707 1079826322 /nfs/dbraw/zinc/82/63/22/1079826322.db2.gz OCVFPYAQNNPNRP-INIZCTEOSA-N 1 1 407.580 2.938 20 0 HFADMO O=C(N1CC[C@H]2NC(=O)CC[C@@H]2C1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001130690246 1079851779 /nfs/dbraw/zinc/85/17/79/1079851779.db2.gz KPXRPGILOAGOSC-MBOZVWFJSA-N 1 1 409.452 2.568 20 0 HFADMO Cc1cccn2cc(COc3ccc(C(=O)NC[C@H]4C[N@H+]5CCC[C@@H]5CO4)cc3)nc12 ZINC000747341897 1079876000 /nfs/dbraw/zinc/87/60/00/1079876000.db2.gz IPBLNLHOYOFCHO-IRLDBZIGSA-N 1 1 420.513 2.815 20 0 HFADMO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000806639446 1079896051 /nfs/dbraw/zinc/89/60/51/1079896051.db2.gz 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COc1ccc2cc(NC(=O)C(=O)N3CCN(c4cc(C)cc[nH+]4)CC3)ccc2c1 ZINC000806943450 1080152831 /nfs/dbraw/zinc/15/28/31/1080152831.db2.gz XZJOCXBQOFNVLJ-UHFFFAOYSA-N 1 1 404.470 2.839 20 0 HFADMO CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000806953106 1080163539 /nfs/dbraw/zinc/16/35/39/1080163539.db2.gz HGWTUJVVJJYSCR-SXLOBPIMSA-N 1 1 402.539 2.960 20 0 HFADMO CCN(C(=O)C(=O)Nc1cccc(C(C)(C)O)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000806994282 1080173317 /nfs/dbraw/zinc/17/33/17/1080173317.db2.gz BMKREEQWMWBOIY-OAQYLSRUSA-N 1 1 409.530 2.976 20 0 HFADMO COc1ccc2cc(NC(=O)C(=O)Nc3ccc(NC(=O)C[NH+](C)C)cc3)ccc2c1 ZINC000807010263 1080209312 /nfs/dbraw/zinc/20/93/12/1080209312.db2.gz ZVUFWLHLMFMEKX-UHFFFAOYSA-N 1 1 420.469 2.926 20 0 HFADMO CN(C(=O)c1cc(Br)ncc1Cl)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000807071468 1080254737 /nfs/dbraw/zinc/25/47/37/1080254737.db2.gz KQMQPAQEHOQHTA-CYBMUJFWSA-N 1 1 415.763 2.738 20 0 HFADMO CN(C(=O)c1cc(Br)ncc1Cl)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000807071468 1080254745 /nfs/dbraw/zinc/25/47/45/1080254745.db2.gz KQMQPAQEHOQHTA-CYBMUJFWSA-N 1 1 415.763 2.738 20 0 HFADMO CC(C)(O)c1cccc(NC(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000807072445 1080255640 /nfs/dbraw/zinc/25/56/40/1080255640.db2.gz PONNANXFPBMHAL-XMMPIXPASA-N 1 1 409.530 2.881 20 0 HFADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)C1 ZINC000807089566 1080267586 /nfs/dbraw/zinc/26/75/86/1080267586.db2.gz HSYVEITZNQVFFE-DENIHFKCSA-N 1 1 415.578 2.755 20 0 HFADMO O=C(N[C@H](c1ccccc1)C1CCOCC1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000807091955 1080270630 /nfs/dbraw/zinc/27/06/30/1080270630.db2.gz MTGQFERXYJTCCK-JOCHJYFZSA-N 1 1 413.562 2.747 20 0 HFADMO COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000807139617 1080299705 /nfs/dbraw/zinc/29/97/05/1080299705.db2.gz UMNGQOAVFSFKMU-ZULIPRJHSA-N 1 1 402.539 2.816 20 0 HFADMO COC(=O)N1CCC([C@H](C)NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000807147572 1080302874 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DEIQBPKOZLFNCN-UHFFFAOYSA-N 1 1 408.502 2.932 20 0 HFADMO C[C@@H](O)c1cc(NC(=O)C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)ccc1F ZINC000807396282 1080561723 /nfs/dbraw/zinc/56/17/23/1080561723.db2.gz KVIQVXULHRFUSP-LSDHHAIUSA-N 1 1 415.465 2.849 20 0 HFADMO Cn1cc[nH+]c1N1CCC(NC(=O)c2nc(Br)sc2C2CC2)CC1 ZINC000807387374 1080581544 /nfs/dbraw/zinc/58/15/44/1080581544.db2.gz IFMYIQDXNYUANK-UHFFFAOYSA-N 1 1 410.341 2.915 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1 ZINC000807431607 1080591331 /nfs/dbraw/zinc/59/13/31/1080591331.db2.gz AGSDODXLDLWKNB-QVKFZJNVSA-N 1 1 405.926 2.935 20 0 HFADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3ccccc3CSC3=NCCS3)CC2)C1 ZINC000747397520 1080602554 /nfs/dbraw/zinc/60/25/54/1080602554.db2.gz PXLLJLPOVNQKHU-GOSISDBHSA-N 1 1 418.632 2.875 20 0 HFADMO CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1)n2C ZINC000747395370 1080603237 /nfs/dbraw/zinc/60/32/37/1080603237.db2.gz ALRIYTQTBRHBMW-HNNXBMFYSA-N 1 1 408.289 2.805 20 0 HFADMO COC(=O)Nc1cccc(CNC(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000807491420 1080679360 /nfs/dbraw/zinc/67/93/60/1080679360.db2.gz NXNYGYADNVPPHD-GPMSIDNRSA-N 1 1 404.511 2.648 20 0 HFADMO C[C@@H]1CCN(C(=O)C(=O)NCC[C@](C)(O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000807496495 1080692671 /nfs/dbraw/zinc/69/26/71/1080692671.db2.gz KTLVFBUWEFVYIF-NLFFAJNJSA-N 1 1 423.557 2.523 20 0 HFADMO CN(C(=O)C(=O)NCC[C@](C)(O)c1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000807498871 1080696173 /nfs/dbraw/zinc/69/61/73/1080696173.db2.gz ZAXLGRLBEIIIJT-RDGATRHJSA-N 1 1 423.557 2.523 20 0 HFADMO C[C@@](O)(CCNC(=O)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000807499552 1080698521 /nfs/dbraw/zinc/69/85/21/1080698521.db2.gz PDKYELSSRWGIKA-XMMPIXPASA-N 1 1 415.578 2.515 20 0 HFADMO CO[C@@H]1Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C)cc2C1 ZINC000807543633 1080760393 /nfs/dbraw/zinc/76/03/93/1080760393.db2.gz JWYCSGXZPOGWTB-KNXBSLHKSA-N 1 1 407.514 2.518 20 0 HFADMO C[C@@H]1[C@@H](NC(=O)C(=O)Nc2cccnc2Br)CC[N@H+]1Cc1ccccc1 ZINC000807544736 1080761736 /nfs/dbraw/zinc/76/17/36/1080761736.db2.gz ZSNXODSCCHEPAL-HIFRSBDPSA-N 1 1 417.307 2.562 20 0 HFADMO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000807582541 1080793540 /nfs/dbraw/zinc/79/35/40/1080793540.db2.gz PEFRXTNLRQBMCW-MAUKXSAKSA-N 1 1 420.966 2.954 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000807555879 1080806882 /nfs/dbraw/zinc/80/68/82/1080806882.db2.gz IGPJJCBNSWKFGZ-IRXDYDNUSA-N 1 1 406.958 2.773 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)c1 ZINC000807557683 1080810512 /nfs/dbraw/zinc/81/05/12/1080810512.db2.gz GPJGNUGEXMPQED-KRWDZBQOSA-N 1 1 414.937 2.783 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000807560593 1080817350 /nfs/dbraw/zinc/81/73/50/1080817350.db2.gz SVQWCHNXCRIVGQ-SFHVURJKSA-N 1 1 414.937 2.640 20 0 HFADMO O=C(c1ccc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1)N1CCOCC1 ZINC001164619609 719057361 /nfs/dbraw/zinc/05/73/61/719057361.db2.gz CXHYGIYDMLDUFI-VXKWHMMOSA-N 1 1 406.530 2.655 20 0 HFADMO CCOC(=O)c1nnc(SC)nc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164621000 719068829 /nfs/dbraw/zinc/06/88/29/719068829.db2.gz FYGPYYRJISNVMG-SJORKVTESA-N 1 1 413.547 2.871 20 0 HFADMO COC(=O)Cc1c(Cl)ncnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164624288 719070966 /nfs/dbraw/zinc/07/09/66/719070966.db2.gz KVUHNVYEPOCLHI-FUHWJXTLSA-N 1 1 400.910 2.946 20 0 HFADMO O=C1CCC(=O)N1Cc1ccc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001164628065 719088247 /nfs/dbraw/zinc/08/82/47/719088247.db2.gz LXSFOKQQBXDTOT-NHCUHLMSSA-N 1 1 404.514 2.831 20 0 HFADMO COCCN1CC[N@H+](C)C2(CCN(c3cc(Cl)nc4c(F)cccc34)CC2)C1=O ZINC001164644863 719285157 /nfs/dbraw/zinc/28/51/57/719285157.db2.gz UXRATUYXZAKKPZ-UHFFFAOYSA-N 1 1 420.916 2.787 20 0 HFADMO COCCN1CC[N@@H+](C)C2(CCN(c3cc(Cl)nc4c(F)cccc34)CC2)C1=O ZINC001164644863 719285159 /nfs/dbraw/zinc/28/51/59/719285159.db2.gz UXRATUYXZAKKPZ-UHFFFAOYSA-N 1 1 420.916 2.787 20 0 HFADMO CCOC(=O)Cc1nc(Cl)cc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)n1 ZINC001164649592 719310429 /nfs/dbraw/zinc/31/04/29/719310429.db2.gz PJQYOEVJRVHCTI-UHFFFAOYSA-N 1 1 420.945 2.637 20 0 HFADMO COc1cc2c(cc1OCc1ccccc1)ncnc2N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC001164671340 719378746 /nfs/dbraw/zinc/37/87/46/719378746.db2.gz WXMMVZQYHSTSMQ-SIKLNZKXSA-N 1 1 406.486 2.737 20 0 HFADMO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000301667337 719467252 /nfs/dbraw/zinc/46/72/52/719467252.db2.gz OXUHVJUVNVLSKE-QZTJIDSGSA-N 1 1 409.559 2.939 20 0 HFADMO O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(c2nc(Cl)ccc2C[NH+]2CCCC2)C1)N1CCCC1 ZINC001164678607 719539790 /nfs/dbraw/zinc/53/97/90/719539790.db2.gz MIYXQLPQIUKCKB-QYZOEREBSA-N 1 1 418.969 2.937 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](OCC(=O)NC)CO3)CC2)nc1 ZINC001164678101 719554981 /nfs/dbraw/zinc/55/49/81/719554981.db2.gz VNZRXOFPGVGDHF-VQTJNVASSA-N 1 1 416.566 2.519 20 0 HFADMO COCCOc1ccc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)nn1 ZINC001164692075 719813801 /nfs/dbraw/zinc/81/38/01/719813801.db2.gz LHCAWSLILWAFBC-UHFFFAOYSA-N 1 1 403.552 2.902 20 0 HFADMO Cn1cc([C@@H]2COC3(C2)CCN(c2cc(OC4CC[NH+](C)CC4)ccn2)CC3)cn1 ZINC001164697616 719827216 /nfs/dbraw/zinc/82/72/16/719827216.db2.gz PLDBUPCPAKUJJY-SFHVURJKSA-N 1 1 411.550 2.831 20 0 HFADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(SC)nc2sccc21 ZINC001164704641 719842498 /nfs/dbraw/zinc/84/24/98/719842498.db2.gz SERXAAODTPQIBO-ORAYPTAESA-N 1 1 422.576 2.646 20 0 HFADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2sc(C)cc21 ZINC001164705293 719848539 /nfs/dbraw/zinc/84/85/39/719848539.db2.gz USMKKTRSKQOXIC-YJYMSZOUSA-N 1 1 424.954 2.886 20 0 HFADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)nc2cc(Cl)ccc21 ZINC001164701006 719855323 /nfs/dbraw/zinc/85/53/23/719855323.db2.gz IZXFBRWEUASULX-IIBYNOLFSA-N 1 1 418.925 2.824 20 0 HFADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)nc2scc(C)c21 ZINC001164703790 719872709 /nfs/dbraw/zinc/87/27/09/719872709.db2.gz KNOPSDGRSBGZPV-YWZLYKJASA-N 1 1 404.536 2.541 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@@H](NC(=O)c2cnccn2)[C@H]2OCCC[C@H]2C1 ZINC001164710192 720057260 /nfs/dbraw/zinc/05/72/60/720057260.db2.gz CVVGIYZUKHJBDM-YJLNNSPDSA-N 1 1 415.925 2.670 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H](NC(=O)c2cnccn2)[C@H]2OCCC[C@H]2C1 ZINC001164710192 720057266 /nfs/dbraw/zinc/05/72/66/720057266.db2.gz CVVGIYZUKHJBDM-YJLNNSPDSA-N 1 1 415.925 2.670 20 0 HFADMO CCOC(=O)c1ccc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COC)c2c1 ZINC001164815398 720116398 /nfs/dbraw/zinc/11/63/98/720116398.db2.gz VENAHILOLFWRBF-DVECYGJZSA-N 1 1 424.545 2.991 20 0 HFADMO CCOC(=O)c1ccc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)c2c1 ZINC001164815400 720116427 /nfs/dbraw/zinc/11/64/27/720116427.db2.gz VENAHILOLFWRBF-YADARESESA-N 1 1 424.545 2.991 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(C(=O)N(C)OC)cc(Cl)n1)C2 ZINC001164816502 720121732 /nfs/dbraw/zinc/12/17/32/720121732.db2.gz ZKCLMNSIXAOWGV-LAUBAEHRSA-N 1 1 422.957 2.553 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(OC)nc(-c3ccccc3)n1)C2 ZINC001164809627 720133781 /nfs/dbraw/zinc/13/37/81/720133781.db2.gz HSVDSCKWAGUUEG-CVDCTZTESA-N 1 1 409.534 2.732 20 0 HFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(Cl)c[n+]1[O-])CC2 ZINC001164713576 720136384 /nfs/dbraw/zinc/13/63/84/720136384.db2.gz SEWXFCKCBPHQSY-LJQANCHMSA-N 1 1 402.926 2.876 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cccc(SCC(=O)OC)n1)C2 ZINC001164816058 720152008 /nfs/dbraw/zinc/15/20/08/720152008.db2.gz KBHKOYROFDOTJZ-UTKZUKDTSA-N 1 1 405.564 2.531 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)COc1ccc(Cl)nn1)C2 ZINC001164819016 720169387 /nfs/dbraw/zinc/16/93/87/720169387.db2.gz VFLCXTVLVARAOL-YJBOKZPZSA-N 1 1 416.900 2.782 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nnc1OC)C2 ZINC001164811410 720200749 /nfs/dbraw/zinc/20/07/49/720200749.db2.gz HEEVJYMACMBBRA-KDOFPFPSSA-N 1 1 416.900 2.868 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4ccccc43)C2)C1 ZINC001164720121 720209684 /nfs/dbraw/zinc/20/96/84/720209684.db2.gz WGZXISQVHKDCNL-NRFANRHFSA-N 1 1 402.926 2.553 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4ccccc43)C2)C1 ZINC001164720121 720209695 /nfs/dbraw/zinc/20/96/95/720209695.db2.gz WGZXISQVHKDCNL-NRFANRHFSA-N 1 1 402.926 2.553 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4sccc43)C2)C1 ZINC001164718939 720236491 /nfs/dbraw/zinc/23/64/91/720236491.db2.gz IHNSFSIKPFGUQQ-LJQANCHMSA-N 1 1 408.955 2.615 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4sccc43)C2)C1 ZINC001164718939 720236500 /nfs/dbraw/zinc/23/65/00/720236500.db2.gz IHNSFSIKPFGUQQ-LJQANCHMSA-N 1 1 408.955 2.615 20 0 HFADMO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc3[nH]cnc3cc2Cl)CC1 ZINC001164831446 720325219 /nfs/dbraw/zinc/32/52/19/720325219.db2.gz SAYMLFUOSXRJTN-SJORKVTESA-N 1 1 402.930 2.523 20 0 HFADMO CN(C)c1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164724241 720401797 /nfs/dbraw/zinc/40/17/97/720401797.db2.gz IMZYFTOZZZDQJU-WOJBJXKFSA-N 1 1 401.518 2.853 20 0 HFADMO COc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1NC(C)C ZINC001164839376 720504852 /nfs/dbraw/zinc/50/48/52/720504852.db2.gz SZYXKJQZMVOUEJ-GUDVDZBRSA-N 1 1 413.570 2.880 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3[nH]c4cc(=O)[nH]c-4cc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834195 720550627 /nfs/dbraw/zinc/55/06/27/720550627.db2.gz CONKQMWFIJJUJO-YZVOILCLSA-N 1 1 414.941 2.804 20 0 HFADMO CCOC(=O)c1ncnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1C ZINC001164835825 720556034 /nfs/dbraw/zinc/55/60/34/720556034.db2.gz IALSGIUGFUQGKX-GUDVDZBRSA-N 1 1 412.538 2.536 20 0 HFADMO COc1cnc2c(c1)ncnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164841635 720586324 /nfs/dbraw/zinc/58/63/24/720586324.db2.gz TZTGJRQRSIKDBY-MBOZVWFJSA-N 1 1 407.522 2.608 20 0 HFADMO Clc1ccc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1 ZINC001164740195 720635004 /nfs/dbraw/zinc/63/50/04/720635004.db2.gz HQGDOPTVWMOYAA-ZWKOTPCHSA-N 1 1 408.893 2.929 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3c(n1)OCC(=O)N3)CC2 ZINC001164843379 720690401 /nfs/dbraw/zinc/69/04/01/720690401.db2.gz OXTBCXSPEDLYCC-SFHVURJKSA-N 1 1 408.502 2.672 20 0 HFADMO C[C@@H]1CCc2c(sc3ncnc(N4CC[N@H+]5C[C@H](Oc6cncnc6)C[C@H]5C4)c23)C1 ZINC001164738523 720691313 /nfs/dbraw/zinc/69/13/13/720691313.db2.gz KJAOLLURKSPJHH-OWCLPIDISA-N 1 1 422.558 2.948 20 0 HFADMO Clc1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(-c2ccccc2)nn1 ZINC001164741496 720698908 /nfs/dbraw/zinc/69/89/08/720698908.db2.gz TZHGERYYYDETRI-SJORKVTESA-N 1 1 408.893 2.929 20 0 HFADMO c1cn(C2CCCC2)c2ncnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164737801 720709812 /nfs/dbraw/zinc/70/98/12/720709812.db2.gz GYFPNEIXKFYXQV-ROUUACIJSA-N 1 1 405.506 2.678 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(C(N)=O)nc(C3CC3)n1)CC2 ZINC001164838705 720730032 /nfs/dbraw/zinc/73/00/32/720730032.db2.gz YASHSRWXIWTPHP-LJQANCHMSA-N 1 1 421.545 2.713 20 0 HFADMO Fc1cccc(Oc2ccnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)c1 ZINC001164743392 720743348 /nfs/dbraw/zinc/74/33/48/720743348.db2.gz PUVJDUXGSVDJIL-FUHWJXTLSA-N 1 1 408.437 2.540 20 0 HFADMO CC(C)(C)OC(=O)Nc1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164746961 720751194 /nfs/dbraw/zinc/75/11/94/720751194.db2.gz ZKGSCFLIRWKEEU-DLBZAZTESA-N 1 1 412.494 2.561 20 0 HFADMO Fc1ccc2c(Cl)nnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164748305 720793225 /nfs/dbraw/zinc/79/32/25/720793225.db2.gz QNPKPPMBMQQWAK-ZIAGYGMSSA-N 1 1 400.845 2.554 20 0 HFADMO Cc1cc(-c2ccccc2F)nnc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164752651 720801866 /nfs/dbraw/zinc/80/18/66/720801866.db2.gz ZNURLOZYLNDMLB-DLBZAZTESA-N 1 1 406.465 2.723 20 0 HFADMO CCOC(=O)c1ccc(C)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164749797 720808676 /nfs/dbraw/zinc/80/86/76/720808676.db2.gz UOGNWOKMOPAPEB-QKNQBKEWSA-N 1 1 424.549 2.538 20 0 HFADMO O=C1[C@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]2CN1Cc1ccncc1 ZINC001164855807 720811368 /nfs/dbraw/zinc/81/13/68/720811368.db2.gz YZNFOEXZSPLPKD-OALUTQOASA-N 1 1 411.937 2.821 20 0 HFADMO FC(F)(c1cnc(Cl)cn1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747483 720813901 /nfs/dbraw/zinc/81/39/01/720813901.db2.gz OEJLITSLFIQWSE-ARFHVFGLSA-N 1 1 423.899 2.646 20 0 HFADMO CCc1ncnc(Cl)c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748768 720814619 /nfs/dbraw/zinc/81/46/19/720814619.db2.gz RIZNHILDEWYTSF-XYJFISCASA-N 1 1 401.946 2.663 20 0 HFADMO Clc1nc2c(c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n1)CCC2 ZINC001164740767 720815129 /nfs/dbraw/zinc/81/51/29/720815129.db2.gz AJANACRMBIHCEP-TXPKVOOTSA-N 1 1 413.957 2.590 20 0 HFADMO COc1cc(Cl)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748338 720815232 /nfs/dbraw/zinc/81/52/32/720815232.db2.gz QTDMQZUQPYXKSQ-RYQLBKOJSA-N 1 1 402.930 2.715 20 0 HFADMO Clc1nc2ncccc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164738004 720816236 /nfs/dbraw/zinc/81/62/36/720816236.db2.gz DHYDRHWPOWUTLL-SOLBZPMBSA-N 1 1 424.940 2.649 20 0 HFADMO Clc1nc2cccnc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164744011 720818537 /nfs/dbraw/zinc/81/85/37/720818537.db2.gz TYFWMUVZYXNPOY-JFIYKMOQSA-N 1 1 424.940 2.649 20 0 HFADMO Clc1nc2cccnc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164744016 720818545 /nfs/dbraw/zinc/81/85/45/720818545.db2.gz TYFWMUVZYXNPOY-SOLBZPMBSA-N 1 1 424.940 2.649 20 0 HFADMO c1coc(-c2cnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cn2)c1 ZINC001164745565 720824369 /nfs/dbraw/zinc/82/43/69/720824369.db2.gz WTZCKCQNAOOEDA-WSTZPKSXSA-N 1 1 405.506 2.708 20 0 HFADMO Cc1cccc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164738445 720831258 /nfs/dbraw/zinc/83/12/58/720831258.db2.gz FUESXBRMGZCFMM-SVFBPWRDSA-N 1 1 403.534 2.909 20 0 HFADMO COc1ccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ncc2c1 ZINC001164742085 720831636 /nfs/dbraw/zinc/83/16/36/720831636.db2.gz PRVRBNSQPJTESM-XQBPLPMBSA-N 1 1 419.533 2.609 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)n3)CC[C@H]2C1 ZINC001164855897 720834850 /nfs/dbraw/zinc/83/48/50/720834850.db2.gz VKCHKIOOPGFWRD-NWDGAFQWSA-N 1 1 411.280 2.502 20 0 HFADMO Clc1cc2[nH]cnc2nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746544 720835371 /nfs/dbraw/zinc/83/53/71/720835371.db2.gz OJEDVHSRWNXXJP-RLFYNMQTSA-N 1 1 412.929 2.582 20 0 HFADMO Clc1cc2nc[nH]c2nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746544 720835372 /nfs/dbraw/zinc/83/53/72/720835372.db2.gz OJEDVHSRWNXXJP-RLFYNMQTSA-N 1 1 412.929 2.582 20 0 HFADMO Clc1cc2nc[nH]c2nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746544 720835373 /nfs/dbraw/zinc/83/53/73/720835373.db2.gz OJEDVHSRWNXXJP-RLFYNMQTSA-N 1 1 412.929 2.582 20 0 HFADMO CC(C)n1ccc2c1ncnc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742531 720843300 /nfs/dbraw/zinc/84/33/00/720843300.db2.gz HGRNZJAHJOVEEG-QKNQBKEWSA-N 1 1 420.565 2.983 20 0 HFADMO CC(C)Sc1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1 ZINC001164748810 720852663 /nfs/dbraw/zinc/85/26/63/720852663.db2.gz MDZRHMUADWFLFB-IPMKNSEASA-N 1 1 413.595 2.948 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)ncc3-c3ccccc3)CC[C@@H]2C1 ZINC001164852641 720856680 /nfs/dbraw/zinc/85/66/80/720856680.db2.gz FCBWIGUMDIURIN-IEBWSBKVSA-N 1 1 402.926 2.971 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3cc(C(=O)Nc4ccccc4)ccn3)CC[C@H]2C1 ZINC001164852011 720857476 /nfs/dbraw/zinc/85/74/76/720857476.db2.gz BOURMVXOALZPMU-FPOVZHCZSA-N 1 1 410.518 2.507 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3cncc(Oc4cccc(F)c4)n3)CC[C@@H]2C1 ZINC001164851550 720866447 /nfs/dbraw/zinc/86/64/47/720866447.db2.gz AVXPYKVBEINSJQ-APWZRJJASA-N 1 1 402.470 2.582 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3ccn4C(C)C)CC[C@H]2C1 ZINC001164856040 720871401 /nfs/dbraw/zinc/87/14/01/720871401.db2.gz NXRHLGRVVKKTCL-RDJZCZTQSA-N 1 1 407.946 2.839 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc(NC(=O)OC(C)(C)C)cn3)CC[C@H]2C1 ZINC001164864466 720871990 /nfs/dbraw/zinc/87/19/90/720871990.db2.gz VWXYKBZZOMWXRD-FUHWJXTLSA-N 1 1 406.527 2.602 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(-c4cccnc4)nc4ccccc43)CC[C@@H]2C1 ZINC001164861266 720873924 /nfs/dbraw/zinc/87/39/24/720873924.db2.gz PLCXCEILPIRTDY-KNQAVFIVSA-N 1 1 419.529 2.865 20 0 HFADMO CCc1nc2sc3c(c2c(N2CC[C@H]4C[N@@H+](CCOC)CCO[C@@H]4C2)n1)CCC3 ZINC001164855606 720873948 /nfs/dbraw/zinc/87/39/48/720873948.db2.gz HMJAKXJAWPRCNH-DOTOQJQBSA-N 1 1 416.591 2.916 20 0 HFADMO CCc1nc2sc3c(c2c(N2CC[C@@H]4C[N@@H+](CCOC)CCO[C@H]4C2)n1)CCC3 ZINC001164855615 720873963 /nfs/dbraw/zinc/87/39/63/720873963.db2.gz HMJAKXJAWPRCNH-WBVHZDCISA-N 1 1 416.591 2.916 20 0 HFADMO CCOc1ccc(-c2ccc(N3CC[C@@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)nn2)cc1 ZINC001164862100 720881813 /nfs/dbraw/zinc/88/18/13/720881813.db2.gz QPDNZBMFMYJDSY-DENIHFKCSA-N 1 1 412.534 2.716 20 0 HFADMO CCOc1ccc(-c2ccc(N3CC[C@H]4C[N@@H+](CCOC)CCO[C@H]4C3)nn2)cc1 ZINC001164862104 720881817 /nfs/dbraw/zinc/88/18/17/720881817.db2.gz QPDNZBMFMYJDSY-UGKGYDQZSA-N 1 1 412.534 2.716 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nnc(-c4ccccc4F)cc3C)CC[C@H]2C1 ZINC001164853869 720887307 /nfs/dbraw/zinc/88/73/07/720887307.db2.gz DHDMFMBQLGEUOM-UWJYYQICSA-N 1 1 400.498 2.765 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@@H]2CO[C@H](CNC(=O)c3ccno3)[C@@H]2C1 ZINC001164859129 720914695 /nfs/dbraw/zinc/91/46/95/720914695.db2.gz OZAVSSRIDUXKDV-FRFSOERESA-N 1 1 404.898 2.725 20 0 HFADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(Cn3ccccc3=O)cn1)[C@H]2C ZINC001164861920 721007150 /nfs/dbraw/zinc/00/71/50/721007150.db2.gz RBFYXCUESQTYOQ-SFHVURJKSA-N 1 1 406.534 2.910 20 0 HFADMO FC(F)(c1cnc(Cl)nc1Cl)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164856471 721031406 /nfs/dbraw/zinc/03/14/06/721031406.db2.gz ALYVSTMNRJZSLF-UHFFFAOYSA-N 1 1 414.247 2.832 20 0 HFADMO CCOC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164870438 721042431 /nfs/dbraw/zinc/04/24/31/721042431.db2.gz VWHWPGPHYOVDGM-QZTJIDSGSA-N 1 1 416.909 2.786 20 0 HFADMO CCOC(=O)/C=C/c1cccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870632 721050873 /nfs/dbraw/zinc/05/08/73/721050873.db2.gz WLGGOHQGVJOOJY-JLXVBKPDSA-N 1 1 408.502 2.533 20 0 HFADMO COc1cc2ncc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2cc1OC ZINC001164867372 721082035 /nfs/dbraw/zinc/08/20/35/721082035.db2.gz YEXIVFMABDLYHR-QZTJIDSGSA-N 1 1 421.501 2.522 20 0 HFADMO CCOc1ccc2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164865435 721095709 /nfs/dbraw/zinc/09/57/09/721095709.db2.gz LHUXLQRJCJMPRD-ICSRJNTNSA-N 1 1 405.502 2.903 20 0 HFADMO CCOc1ccc2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164865437 721096474 /nfs/dbraw/zinc/09/64/74/721096474.db2.gz LHUXLQRJCJMPRD-UYAOXDASSA-N 1 1 405.502 2.903 20 0 HFADMO c1ccc(COc2cnnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2)cc1 ZINC001164864836 721102632 /nfs/dbraw/zinc/10/26/32/721102632.db2.gz GSBWWHNFGNWDEB-GGAORHGYSA-N 1 1 417.513 2.930 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4COC5(C)C)C[C@H]3C2)cn1 ZINC001164768373 721103467 /nfs/dbraw/zinc/10/34/67/721103467.db2.gz NAPUBYFOEYHQNP-HUUCEWRRSA-N 1 1 402.930 2.587 20 0 HFADMO COc1ccc2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc(C)c2c1 ZINC001164864677 721103671 /nfs/dbraw/zinc/10/36/71/721103671.db2.gz GNUDMWMKGFOJHW-UYAOXDASSA-N 1 1 405.502 2.822 20 0 HFADMO CCOC(=O)c1c(C)cc(Cl)nc1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164769945 721106529 /nfs/dbraw/zinc/10/65/29/721106529.db2.gz QMJPJSQVVIODQU-IAGOWNOFSA-N 1 1 417.941 2.912 20 0 HFADMO CCOC(=O)c1nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ccc1Cl ZINC001164870218 721125105 /nfs/dbraw/zinc/12/51/05/721125105.db2.gz BWSFDLVCEOQZGF-DLBZAZTESA-N 1 1 416.909 2.786 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nccc(OCc5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164767330 721129477 /nfs/dbraw/zinc/12/94/77/721129477.db2.gz MUGBWITZOWFZDB-RTWAWAEBSA-N 1 1 404.518 2.747 20 0 HFADMO Nc1cc(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cnc1Cl ZINC001164879027 721131761 /nfs/dbraw/zinc/13/17/61/721131761.db2.gz RLCSTXVSHVRIAY-JKSUJKDBSA-N 1 1 409.868 2.737 20 0 HFADMO Cc1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(-c2ccncc2)n1 ZINC001164875347 721136612 /nfs/dbraw/zinc/13/66/12/721136612.db2.gz KXVIUAPSMBCDNY-LEWJYISDSA-N 1 1 402.502 2.722 20 0 HFADMO Cc1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccccn2)n1 ZINC001164879819 721137655 /nfs/dbraw/zinc/13/76/55/721137655.db2.gz UHOBTLXOCTTXPL-UXHICEINSA-N 1 1 402.502 2.722 20 0 HFADMO Cc1cc(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(Cl)nn1 ZINC001164880285 721150473 /nfs/dbraw/zinc/15/04/73/721150473.db2.gz VSDTVZOGXWQUOF-HOTGVXAUSA-N 1 1 409.868 2.858 20 0 HFADMO c1ccc(Cc2nccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164880337 721160336 /nfs/dbraw/zinc/16/03/36/721160336.db2.gz VYUPBXJVGLFCPN-YADHBBJMSA-N 1 1 401.514 2.942 20 0 HFADMO CC1CCN(C(=O)c2cccnc2N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)CC1 ZINC001164762015 721196721 /nfs/dbraw/zinc/19/67/21/721196721.db2.gz BWGUPPDVXOLJRH-NHCUHLMSSA-N 1 1 422.577 2.646 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)C[C@@H]3C2)cn1 ZINC001164766906 721221976 /nfs/dbraw/zinc/22/19/76/721221976.db2.gz JOMPDWPEWUYJMY-PMACEKPBSA-N 1 1 415.545 2.719 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)C[C@@H]3C2)cn1 ZINC001164766908 721223274 /nfs/dbraw/zinc/22/32/74/721223274.db2.gz JOMPDWPEWUYJMY-UXHICEINSA-N 1 1 415.545 2.719 20 0 HFADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164770641 721279328 /nfs/dbraw/zinc/27/93/28/721279328.db2.gz VOKCTGCFMHWMOH-UHFFFAOYSA-N 1 1 400.857 2.774 20 0 HFADMO CC[C@H]1C(=O)Nc2cnc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)nc2N1C1CCCC1 ZINC001164774003 721287995 /nfs/dbraw/zinc/28/79/95/721287995.db2.gz VMAGKKKNZZDUDR-IBGZPJMESA-N 1 1 410.566 2.878 20 0 HFADMO Cc1ccc(N2CCO[C@@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)C[C@@H]32)nn1 ZINC001164775171 721311685 /nfs/dbraw/zinc/31/16/85/721311685.db2.gz AOJACEPDHMOOCW-ZWKOTPCHSA-N 1 1 414.941 2.523 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCCN(c4ccc(C)nn4)[C@H]3C2)nc1 ZINC001164775698 721313804 /nfs/dbraw/zinc/31/38/04/721313804.db2.gz ILJNWTQOCLTGQY-QHAWAJNXSA-N 1 1 408.550 2.821 20 0 HFADMO COc1nc(Cl)cc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164778013 721334603 /nfs/dbraw/zinc/33/46/03/721334603.db2.gz SQBQYOXZPXMVGZ-HXUWFJFHSA-N 1 1 421.929 2.862 20 0 HFADMO COc1nc(Cl)cc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164778013 721334607 /nfs/dbraw/zinc/33/46/07/721334607.db2.gz SQBQYOXZPXMVGZ-HXUWFJFHSA-N 1 1 421.929 2.862 20 0 HFADMO CCOc1ccc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nn1 ZINC001164777795 721335698 /nfs/dbraw/zinc/33/56/98/721335698.db2.gz QRFFATKUEBWYAQ-NRFANRHFSA-N 1 1 401.511 2.599 20 0 HFADMO CCOc1ccc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nn1 ZINC001164777795 721335702 /nfs/dbraw/zinc/33/57/02/721335702.db2.gz QRFFATKUEBWYAQ-NRFANRHFSA-N 1 1 401.511 2.599 20 0 HFADMO COc1cc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc(C)n1 ZINC001164777826 721348235 /nfs/dbraw/zinc/34/82/35/721348235.db2.gz IKVZPRCNSKIFPJ-OAQYLSRUSA-N 1 1 401.511 2.517 20 0 HFADMO COc1cc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc(C)n1 ZINC001164777826 721348240 /nfs/dbraw/zinc/34/82/40/721348240.db2.gz IKVZPRCNSKIFPJ-OAQYLSRUSA-N 1 1 401.511 2.517 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc4cccnc4n3)C2)C1 ZINC001164779305 721352582 /nfs/dbraw/zinc/35/25/82/721352582.db2.gz SCDMBJBANKEYND-QFIPXVFZSA-N 1 1 408.506 2.749 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc4cccnc4n3)C2)C1 ZINC001164779305 721352584 /nfs/dbraw/zinc/35/25/84/721352584.db2.gz SCDMBJBANKEYND-QFIPXVFZSA-N 1 1 408.506 2.749 20 0 HFADMO CCOc1nccnc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164781627 721370631 /nfs/dbraw/zinc/37/06/31/721370631.db2.gz KCPHHIOVYBLTHP-NRFANRHFSA-N 1 1 401.511 2.599 20 0 HFADMO CCOc1nccnc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164781627 721370633 /nfs/dbraw/zinc/37/06/33/721370633.db2.gz KCPHHIOVYBLTHP-NRFANRHFSA-N 1 1 401.511 2.599 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5[nH]cc(F)c54)C3)O2)CC1 ZINC001164885694 721381909 /nfs/dbraw/zinc/38/19/09/721381909.db2.gz CZCXHNIVHHZKEX-XOBRGWDASA-N 1 1 422.936 2.516 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4CSC5)C3)O2)CC1 ZINC001164886338 721399599 /nfs/dbraw/zinc/39/95/99/721399599.db2.gz FGTQHXVPARTDOM-QRWLVFNGSA-N 1 1 424.014 2.642 20 0 HFADMO Cc1c[nH]c2nc(Cl)nc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c12 ZINC001164892526 721400560 /nfs/dbraw/zinc/40/05/60/721400560.db2.gz YQAKAAYKEZJCJI-KKSFZXQISA-N 1 1 418.973 2.685 20 0 HFADMO CN(C)c1nc(-c2ccccc2)nc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164785052 721416385 /nfs/dbraw/zinc/41/63/85/721416385.db2.gz MFAQLXPFJWJCIK-IAGOWNOFSA-N 1 1 407.547 2.629 20 0 HFADMO CC(C)N1Cc2c(nc(Cl)nc2N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)C1=O ZINC001164791025 721422918 /nfs/dbraw/zinc/42/29/18/721422918.db2.gz YYHUJOLWJJWSTB-STQMWFEESA-N 1 1 418.954 2.519 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(C5CC5)nc5[nH]ccc54)C3)O2)CC1 ZINC001164886019 721447835 /nfs/dbraw/zinc/44/78/35/721447835.db2.gz GCSQNLUIGPFBLQ-JPYJTQIMSA-N 1 1 410.566 2.601 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)nc(OC)n1)CC2 ZINC001164790573 721450774 /nfs/dbraw/zinc/45/07/74/721450774.db2.gz ZPJUMEPSNPZHEI-KRWDZBQOSA-N 1 1 424.973 2.873 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(SC)ncn1)CC2 ZINC001164790423 721453347 /nfs/dbraw/zinc/45/33/47/721453347.db2.gz YZHGZULBDFCRGE-GOSISDBHSA-N 1 1 406.596 2.932 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(COC)nc(C)n1)CC2 ZINC001164783696 721457693 /nfs/dbraw/zinc/45/76/93/721457693.db2.gz FNIYVJGNMHAGKP-NRFANRHFSA-N 1 1 418.582 2.665 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cncc(OC(C)C)n1)CC2 ZINC001164791330 721468053 /nfs/dbraw/zinc/46/80/53/721468053.db2.gz XCIOLSFBAZKGSU-FQEVSTJZSA-N 1 1 418.582 2.998 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(OC)ncc1Cl)CC2 ZINC001164789478 721470909 /nfs/dbraw/zinc/47/09/09/721470909.db2.gz NFPYYCUVCANGIH-KRWDZBQOSA-N 1 1 424.973 2.873 20 0 HFADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(Cn3cncn3)cn1)CC2 ZINC001164795062 721499851 /nfs/dbraw/zinc/49/98/51/721499851.db2.gz CDTLXFMTNTUCGA-UHFFFAOYSA-N 1 1 403.534 2.997 20 0 HFADMO CCOC(=O)c1cc(Cl)nnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164899707 721522074 /nfs/dbraw/zinc/52/20/74/721522074.db2.gz LULYQBWSCBERQA-HOCLYGCPSA-N 1 1 420.872 2.788 20 0 HFADMO COC(=O)c1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ncc1Cl ZINC001164803830 721530734 /nfs/dbraw/zinc/53/07/34/721530734.db2.gz JJNITTYNCMEZCJ-HBFSDRIKSA-N 1 1 416.909 2.785 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3nc(Cl)ccc32)[C@@H]2CCCO[C@H]21 ZINC001164809469 721535750 /nfs/dbraw/zinc/53/57/50/721535750.db2.gz UWIRHNDEKMYUAM-ZHALLVOQSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3nc(Cl)ccc32)[C@@H]2CCCO[C@H]21 ZINC001164809469 721535753 /nfs/dbraw/zinc/53/57/53/721535753.db2.gz UWIRHNDEKMYUAM-ZHALLVOQSA-N 1 1 410.909 2.941 20 0 HFADMO O=c1cc2[nH]c(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c(Cl)cc-2[nH]1 ZINC001164905191 721536816 /nfs/dbraw/zinc/53/68/16/721536816.db2.gz GJQWQAOVPVMOLS-ZFWWWQNUSA-N 1 1 402.857 2.711 20 0 HFADMO CCOc1nc(Cl)cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164807839 721544669 /nfs/dbraw/zinc/54/46/69/721544669.db2.gz RNIYIMDVCLITSU-JTDSTZFVSA-N 1 1 403.914 2.792 20 0 HFADMO CCOc1nc(Cl)cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164807839 721544674 /nfs/dbraw/zinc/54/46/74/721544674.db2.gz RNIYIMDVCLITSU-JTDSTZFVSA-N 1 1 403.914 2.792 20 0 HFADMO O=C(c1ccnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1)N1CCCC1 ZINC001164907334 721545557 /nfs/dbraw/zinc/54/55/57/721545557.db2.gz MYPFDAVEZILAHJ-FPOVZHCZSA-N 1 1 410.493 2.799 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnnc(Cl)c2)[C@@H]2CCCO[C@H]12 ZINC001164806745 721554702 /nfs/dbraw/zinc/55/47/02/721554702.db2.gz RMQALOQXHNYIAK-NUJGCVRESA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnnc(Cl)c2)[C@@H]2CCCO[C@H]12 ZINC001164806745 721554706 /nfs/dbraw/zinc/55/47/06/721554706.db2.gz RMQALOQXHNYIAK-NUJGCVRESA-N 1 1 409.868 2.938 20 0 HFADMO COC(=O)c1cc(F)c(C)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164801070 721555226 /nfs/dbraw/zinc/55/52/26/721555226.db2.gz GHYVULOVVSCDKM-HSALFYBXSA-N 1 1 414.481 2.579 20 0 HFADMO COC(=O)c1cc(F)c(C)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164801070 721555228 /nfs/dbraw/zinc/55/52/28/721555228.db2.gz GHYVULOVVSCDKM-HSALFYBXSA-N 1 1 414.481 2.579 20 0 HFADMO NC(=O)c1cc2ccccc2c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164904650 721557550 /nfs/dbraw/zinc/55/75/50/721557550.db2.gz FBIKUPNDWSYHSJ-HKUYNNGSSA-N 1 1 406.461 2.815 20 0 HFADMO COc1ccc2nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)ncc2c1 ZINC001164809415 721558495 /nfs/dbraw/zinc/55/84/95/721558495.db2.gz XDSIHAXWHZAICY-FSSWDIPSSA-N 1 1 405.502 2.902 20 0 HFADMO COc1ccc2nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)ncc2c1 ZINC001164809415 721558499 /nfs/dbraw/zinc/55/84/99/721558499.db2.gz XDSIHAXWHZAICY-FSSWDIPSSA-N 1 1 405.502 2.902 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(Cl)cnc32)[C@H]2CCCO[C@H]12 ZINC001164810566 721562135 /nfs/dbraw/zinc/56/21/35/721562135.db2.gz YTMRBBGVPLMQAA-NSHGMRRFSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(Cl)cnc32)[C@H]2CCCO[C@H]12 ZINC001164810566 721562137 /nfs/dbraw/zinc/56/21/37/721562137.db2.gz YTMRBBGVPLMQAA-NSHGMRRFSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cncc(Cl)n2)[C@@H]2CCCO[C@H]12 ZINC001164805836 721570026 /nfs/dbraw/zinc/57/00/26/721570026.db2.gz PAPUELNOZCYFMP-RKVPGOIHSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cncc(Cl)n2)[C@@H]2CCCO[C@H]12 ZINC001164805836 721570030 /nfs/dbraw/zinc/57/00/30/721570030.db2.gz PAPUELNOZCYFMP-RKVPGOIHSA-N 1 1 409.868 2.938 20 0 HFADMO CC1CCN(c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nn2)CC1 ZINC001164802567 721579862 /nfs/dbraw/zinc/57/98/62/721579862.db2.gz GKAPZHDVXMKIKT-DPLHUUCSSA-N 1 1 422.577 2.976 20 0 HFADMO CC(C)OC(=O)c1cccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164809530 721588216 /nfs/dbraw/zinc/58/82/16/721588216.db2.gz SUUYMHCLSGQWAA-HKBOAZHASA-N 1 1 410.518 2.910 20 0 HFADMO CC(C)OC(=O)c1cccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164809530 721588218 /nfs/dbraw/zinc/58/82/18/721588218.db2.gz SUUYMHCLSGQWAA-HKBOAZHASA-N 1 1 410.518 2.910 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(-c3nccs3)n2)[C@H]2CCCO[C@@H]12 ZINC001164799282 721590780 /nfs/dbraw/zinc/59/07/80/721590780.db2.gz AJMGWALNAJGEKA-YQVWRLOYSA-N 1 1 408.531 2.863 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(-c3nccs3)n2)[C@H]2CCCO[C@@H]12 ZINC001164799282 721590781 /nfs/dbraw/zinc/59/07/81/721590781.db2.gz AJMGWALNAJGEKA-YQVWRLOYSA-N 1 1 408.531 2.863 20 0 HFADMO CCOC(=O)c1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncn1 ZINC001164904263 721697323 /nfs/dbraw/zinc/69/73/23/721697323.db2.gz FANIROUXSXCVBG-FQEVSTJZSA-N 1 1 417.460 2.786 20 0 HFADMO CNC(=O)c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907306 721715359 /nfs/dbraw/zinc/71/53/59/721715359.db2.gz QOJBWVKLKAEAAN-HXUWFJFHSA-N 1 1 401.461 2.574 20 0 HFADMO Cc1cc(C(F)(F)N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c(Cl)nn1 ZINC001165010561 721745887 /nfs/dbraw/zinc/74/58/87/721745887.db2.gz OPGJKFTWKMWTOX-UHFFFAOYSA-N 1 1 401.889 2.506 20 0 HFADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cncc(-n3ccnc3)n1)C2 ZINC001164909050 721758460 /nfs/dbraw/zinc/75/84/60/721758460.db2.gz DVAPTUBMXJZBMJ-UHFFFAOYSA-N 1 1 401.474 2.845 20 0 HFADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cncc(-n3ccnc3)n1)C2 ZINC001164909050 721758461 /nfs/dbraw/zinc/75/84/61/721758461.db2.gz DVAPTUBMXJZBMJ-UHFFFAOYSA-N 1 1 401.474 2.845 20 0 HFADMO Clc1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c2c(n1)CCC2 ZINC001164913282 721776244 /nfs/dbraw/zinc/77/62/44/721776244.db2.gz VPKGHXUXRPCMGG-JOCHJYFZSA-N 1 1 414.937 2.727 20 0 HFADMO Clc1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c2c(n1)CCC2 ZINC001164913282 721776254 /nfs/dbraw/zinc/77/62/54/721776254.db2.gz VPKGHXUXRPCMGG-JOCHJYFZSA-N 1 1 414.937 2.727 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCC[C@@]2(CO[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC001165016494 721778644 /nfs/dbraw/zinc/77/86/44/721778644.db2.gz CYFUICSVEJFDGG-UTKZUKDTSA-N 1 1 407.942 2.700 20 0 HFADMO CC(C)n1ccc2c1nc[nH+]c2N1CCO[C@@]2(C1)COCCN(Cc1cccnc1)C2 ZINC001164915629 721791997 /nfs/dbraw/zinc/79/19/97/721791997.db2.gz MFWFSMRVFOLDNA-QHCPKHFHSA-N 1 1 422.533 2.515 20 0 HFADMO Cc1cc2ncnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2cc1C ZINC001164913943 721799295 /nfs/dbraw/zinc/79/92/95/721799295.db2.gz JBIWRAMVZJOFBP-DEOSSOPVSA-N 1 1 419.529 2.749 20 0 HFADMO Cc1cc2ncnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2cc1C ZINC001164913943 721799298 /nfs/dbraw/zinc/79/92/98/721799298.db2.gz JBIWRAMVZJOFBP-DEOSSOPVSA-N 1 1 419.529 2.749 20 0 HFADMO CON(C)C(=O)c1ccnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165023012 721827605 /nfs/dbraw/zinc/82/76/05/721827605.db2.gz HEUJRZVEIWOAIQ-SESVDKBCSA-N 1 1 409.534 2.847 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3NC(=O)CS4)C[C@H]21 ZINC001165023140 721831309 /nfs/dbraw/zinc/83/13/09/721831309.db2.gz HUEYGHXEVXYRLV-USXIJHARSA-N 1 1 410.547 2.653 20 0 HFADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc2ccn(C(=O)c3ccccc3)c2n1 ZINC001164922369 721875816 /nfs/dbraw/zinc/87/58/16/721875816.db2.gz GCWDNQWOPSQNMB-LEWJYISDSA-N 1 1 403.530 2.939 20 0 HFADMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc2ccn(C(=O)c3ccccc3)c2n1 ZINC001164922369 721875818 /nfs/dbraw/zinc/87/58/18/721875818.db2.gz GCWDNQWOPSQNMB-LEWJYISDSA-N 1 1 403.530 2.939 20 0 HFADMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ccc(-c2ccc3c(c2)OCCCO3)nn1 ZINC001164933299 721883472 /nfs/dbraw/zinc/88/34/72/721883472.db2.gz LOFBZLMMYJUJAT-UXHICEINSA-N 1 1 409.534 2.520 20 0 HFADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ccc(-c2ccc3c(c2)OCCCO3)nn1 ZINC001164933299 721883474 /nfs/dbraw/zinc/88/34/74/721883474.db2.gz LOFBZLMMYJUJAT-UXHICEINSA-N 1 1 409.534 2.520 20 0 HFADMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1cncc(OCc2cccc(Cl)c2)n1 ZINC001164936347 721887967 /nfs/dbraw/zinc/88/79/67/721887967.db2.gz ZPSBKFLRULFQQI-MOPGFXCFSA-N 1 1 401.942 2.924 20 0 HFADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1cncc(OCc2cccc(Cl)c2)n1 ZINC001164936347 721887968 /nfs/dbraw/zinc/88/79/68/721887968.db2.gz ZPSBKFLRULFQQI-MOPGFXCFSA-N 1 1 401.942 2.924 20 0 HFADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc5nc[nH]c5c(N(C)C)n4)CC3)C2)cc1 ZINC001164940639 721928141 /nfs/dbraw/zinc/92/81/41/721928141.db2.gz VFRBNFMCHCBIDE-UHFFFAOYSA-N 1 1 421.549 2.599 20 0 HFADMO COc1cc2cc[nH+]c(N3C[C@H]4OCCN(Cc5c(C)noc5C)[C@H]4C3)c2cc1OC ZINC001164943056 721947613 /nfs/dbraw/zinc/94/76/13/721947613.db2.gz NFTUFZFSOJMWRW-SIKLNZKXSA-N 1 1 424.501 2.946 20 0 HFADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncnc3ccc(F)cc31)CC2 ZINC001164944978 721969934 /nfs/dbraw/zinc/96/99/34/721969934.db2.gz LRFPFRGLHVJVLZ-UHFFFAOYSA-N 1 1 405.477 2.740 20 0 HFADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncnc3ccc(F)cc31)CC2 ZINC001164944978 721969938 /nfs/dbraw/zinc/96/99/38/721969938.db2.gz LRFPFRGLHVJVLZ-UHFFFAOYSA-N 1 1 405.477 2.740 20 0 HFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@H]3CN(S(C)(=O)=O)C[C@@H]32)nc1 ZINC001164951996 721986011 /nfs/dbraw/zinc/98/60/11/721986011.db2.gz NYHOZFSWMNTYQA-AQNXPRMDSA-N 1 1 406.596 2.879 20 0 HFADMO CCNC(=O)c1cc(Cl)nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164962101 722025087 /nfs/dbraw/zinc/02/50/87/722025087.db2.gz PQTVDZGSWXCMDG-UHFFFAOYSA-N 1 1 414.941 2.767 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cccn3C)[C@H]3COC[C@@H]32)nc1 ZINC001164962543 722038147 /nfs/dbraw/zinc/03/81/47/722038147.db2.gz NWFXSJHORDCFAW-DYQZNNLLSA-N 1 1 423.561 2.601 20 0 HFADMO c1nc2c(ncnc2N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1C1CC1 ZINC001164960032 722059791 /nfs/dbraw/zinc/05/97/91/722059791.db2.gz DQEYHUFJRGBDSA-UHFFFAOYSA-N 1 1 419.533 2.675 20 0 HFADMO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164965889 722069054 /nfs/dbraw/zinc/06/90/54/722069054.db2.gz QYEYRMJDQFKBRW-GASCZTMLSA-N 1 1 413.900 2.575 20 0 HFADMO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164965889 722069057 /nfs/dbraw/zinc/06/90/57/722069057.db2.gz QYEYRMJDQFKBRW-GASCZTMLSA-N 1 1 413.900 2.575 20 0 HFADMO CC(=O)N1CCC[C@@]2(C1)CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CCO2 ZINC001164968518 722083524 /nfs/dbraw/zinc/08/35/24/722083524.db2.gz DDOFCBXIFPPKDZ-RUZDIDTESA-N 1 1 420.557 2.858 20 0 HFADMO FC(F)(c1cc(Cl)ncn1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978227 722098857 /nfs/dbraw/zinc/09/88/57/722098857.db2.gz GGPDFVPBPVEUQB-HZPDHXFCSA-N 1 1 409.868 2.797 20 0 HFADMO CCOC(=O)/C=C/c1cccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980804 722102140 /nfs/dbraw/zinc/10/21/40/722102140.db2.gz KKUOAIRNOXGEPC-SCDNRKHISA-N 1 1 422.529 2.780 20 0 HFADMO CCOC(=O)c1cc(F)cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980736 722104631 /nfs/dbraw/zinc/10/46/31/722104631.db2.gz KBVYDDJJDIFGSP-XLIONFOSSA-N 1 1 414.481 2.520 20 0 HFADMO CSc1ncc(Cl)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164986025 722104783 /nfs/dbraw/zinc/10/47/83/722104783.db2.gz XTDWJUCNIKULQF-NVXWUHKLSA-N 1 1 405.955 2.974 20 0 HFADMO COc1nc2ccccc2nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164986203 722107096 /nfs/dbraw/zinc/10/70/96/722107096.db2.gz YJCHDJKWHNHMKC-NQIIRXRSSA-N 1 1 405.502 2.761 20 0 HFADMO CC(C)(C)C(=O)Nc1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164975069 722117745 /nfs/dbraw/zinc/11/77/45/722117745.db2.gz JFYQNOILPPWTML-MOPGFXCFSA-N 1 1 424.549 2.584 20 0 HFADMO FC(F)(c1cnnc(Cl)c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973058 722119419 /nfs/dbraw/zinc/11/94/19/722119419.db2.gz GGRDSGXETQJFII-WBVHZDCISA-N 1 1 409.868 2.797 20 0 HFADMO Nc1cc(Cl)ncc1C(F)(F)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971958 722120724 /nfs/dbraw/zinc/12/07/24/722120724.db2.gz DZMIANSKPSUCMB-YJBOKZPZSA-N 1 1 423.895 2.984 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4nccc(N5CCCCC5)n4)CC[C@@H]3C2)c1 ZINC001164972699 722129003 /nfs/dbraw/zinc/12/90/03/722129003.db2.gz AIBJWLJPOQOBHQ-NHCUHLMSSA-N 1 1 408.550 2.589 20 0 HFADMO COc1cc2c(cc1F)ncnc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983869 722129573 /nfs/dbraw/zinc/12/95/73/722129573.db2.gz VWUFVAXQWCVHQS-HTAPYJJXSA-N 1 1 423.492 2.900 20 0 HFADMO CCOC(=O)/C=C\c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164978072 722129624 /nfs/dbraw/zinc/12/96/24/722129624.db2.gz JMXWMOPXQHTLFU-PUZSOODZSA-N 1 1 422.529 2.780 20 0 HFADMO COC(OC)c1cc(C)cnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980940 722133956 /nfs/dbraw/zinc/13/39/56/722133956.db2.gz NXSMBARUSYGQNQ-FPOVZHCZSA-N 1 1 412.534 2.804 20 0 HFADMO CSc1cnc(Cl)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982691 722136277 /nfs/dbraw/zinc/13/62/77/722136277.db2.gz SCYYXKXEXODUOE-HZPDHXFCSA-N 1 1 405.955 2.974 20 0 HFADMO Cc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(-c2ccccn2)n1 ZINC001164980255 722138684 /nfs/dbraw/zinc/13/86/84/722138684.db2.gz MEKIFAMVGVJNQE-UNMCSNQZSA-N 1 1 416.529 2.969 20 0 HFADMO Cc1noc(-c2cccnc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982223 722142457 /nfs/dbraw/zinc/14/24/57/722142457.db2.gz RKYVIPSFJWUWEF-QUCCMNQESA-N 1 1 406.490 2.562 20 0 HFADMO CC(C)OC(=O)c1cccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977149 722153194 /nfs/dbraw/zinc/15/31/94/722153194.db2.gz XRTGQIHJQWGCOW-FPOVZHCZSA-N 1 1 410.518 2.769 20 0 HFADMO C[NH+]1CCN(c2nccc(N3CCC[C@@]4(C[C@@H](OCC5CCCC5)CO4)C3)n2)CC1 ZINC001164979101 722166225 /nfs/dbraw/zinc/16/62/25/722166225.db2.gz UHAFISBBOILDMU-NFBKMPQASA-N 1 1 415.582 2.563 20 0 HFADMO Cc1nc2cc(Cl)ccc2c(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001164998034 722233810 /nfs/dbraw/zinc/23/38/10/722233810.db2.gz ZPDBRCOYGVPDQJ-UHFFFAOYSA-N 1 1 423.952 2.739 20 0 HFADMO Cc1nc(-c2ccc(Br)cc2)nn1C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000790463380 1078044210 /nfs/dbraw/zinc/04/42/10/1078044210.db2.gz ZMKJVZLFZSPARH-INIZCTEOSA-N 1 1 404.312 2.670 20 0 HFADMO Cc1nc(-c2ccc(Br)cc2)nn1C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000790463380 1078044214 /nfs/dbraw/zinc/04/42/14/1078044214.db2.gz ZMKJVZLFZSPARH-INIZCTEOSA-N 1 1 404.312 2.670 20 0 HFADMO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)C[C@@H]4CCCOC4)CC3)n2)cc1 ZINC000793042288 1078054242 /nfs/dbraw/zinc/05/42/42/1078054242.db2.gz IASCIJSNTWWETR-IBGZPJMESA-N 1 1 412.534 2.939 20 0 HFADMO CC(C)n1nccc1C[N@@H+]1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000793087305 1078065262 /nfs/dbraw/zinc/06/52/62/1078065262.db2.gz HCCUOWGSNMPFCX-QGZVFWFLSA-N 1 1 407.559 2.850 20 0 HFADMO CC(C)n1nccc1C[N@H+]1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000793087305 1078065264 /nfs/dbraw/zinc/06/52/64/1078065264.db2.gz HCCUOWGSNMPFCX-QGZVFWFLSA-N 1 1 407.559 2.850 20 0 HFADMO CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)ccc1F ZINC000790575480 1078066969 /nfs/dbraw/zinc/06/69/69/1078066969.db2.gz HDSUPOLHHMZFNN-SFHVURJKSA-N 1 1 413.559 2.706 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CC(=O)N1CCN(C2CCCCC2)CC1 ZINC001170425008 1078069491 /nfs/dbraw/zinc/06/94/91/1078069491.db2.gz NZAHYDFIOOLUJO-LJQANCHMSA-N 1 1 401.551 2.803 20 0 HFADMO CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(=O)NCc2c[nH+]c3n2CCCC3)cc1 ZINC000793110609 1078081794 /nfs/dbraw/zinc/08/17/94/1078081794.db2.gz OCWHGTLANQOADI-UHFFFAOYSA-N 1 1 413.478 2.821 20 0 HFADMO CN(C(=O)c1nc(Br)ccc1Br)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000790626074 1078081350 /nfs/dbraw/zinc/08/13/50/1078081350.db2.gz XZMGFRAZIDVLRA-SNVBAGLBSA-N 1 1 403.118 2.915 20 0 HFADMO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000772827110 1078084323 /nfs/dbraw/zinc/08/43/23/1078084323.db2.gz HBZRSNWXUCULGY-KIVTUJJHSA-N 1 1 422.573 2.849 20 0 HFADMO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)c2cccc(-c3nnc[nH]3)c2)cc1 ZINC000793154899 1078091956 /nfs/dbraw/zinc/09/19/56/1078091956.db2.gz FRUJOJIKBGRHQA-UHFFFAOYSA-N 1 1 407.474 2.763 20 0 HFADMO COCC1(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793167651 1078089885 /nfs/dbraw/zinc/08/98/85/1078089885.db2.gz HALBZZKMIIFZBK-ROUUACIJSA-N 1 1 411.587 2.887 20 0 HFADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(F)(F)Cc3ccccc3)cc2)CC1 ZINC000793149560 1078090868 /nfs/dbraw/zinc/09/08/68/1078090868.db2.gz KJSVZIVLKHIGRJ-UHFFFAOYSA-N 1 1 401.457 2.820 20 0 HFADMO O=C1c2cc(Br)ccc2N(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000772827642 1078096856 /nfs/dbraw/zinc/09/68/56/1078096856.db2.gz JKTXPSLJQFLUDZ-SUMWQHHRSA-N 1 1 418.335 2.885 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000793215886 1078099458 /nfs/dbraw/zinc/09/94/58/1078099458.db2.gz XWQQVYNWZRTJLC-CYBMUJFWSA-N 1 1 408.462 2.670 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000793212562 1078107473 /nfs/dbraw/zinc/10/74/73/1078107473.db2.gz IOTUCPJBFGRUQB-CQSZACIVSA-N 1 1 406.490 2.840 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)N2CCC3(CCOCC3)CC2)CC1 ZINC000790762440 1078113017 /nfs/dbraw/zinc/11/30/17/1078113017.db2.gz QUWVXXRIMAVNPE-UHFFFAOYSA-N 1 1 424.586 2.531 20 0 HFADMO C[C@H]1C[C@H](NC(=O)c2nc(Br)ccc2Br)C[N@H+]1C1CC1 ZINC000790761875 1078113375 /nfs/dbraw/zinc/11/33/75/1078113375.db2.gz YUEQBTXUAIFQDC-IUCAKERBSA-N 1 1 403.118 2.962 20 0 HFADMO C[C@H]([NH2+][C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21)C(=O)N(C)C ZINC000790742108 1078121961 /nfs/dbraw/zinc/12/19/61/1078121961.db2.gz MZFGFELMTLXZAP-GIMINZRKSA-N 1 1 403.523 2.956 20 0 HFADMO C[C@H]([NH2+][C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21)C(=O)N(C)C ZINC000790742114 1078121977 /nfs/dbraw/zinc/12/19/77/1078121977.db2.gz MZFGFELMTLXZAP-LBUQITIBSA-N 1 1 403.523 2.956 20 0 HFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000793315383 1078134244 /nfs/dbraw/zinc/13/42/44/1078134244.db2.gz QWQJBNOZMREOBY-CEXWTWQISA-N 1 1 422.614 2.649 20 0 HFADMO Brc1nc(Br)n(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000772831223 1078137703 /nfs/dbraw/zinc/13/77/03/1078137703.db2.gz ZLQUCENMIAALLC-PWSUYJOCSA-N 1 1 419.165 2.709 20 0 HFADMO C[NH+]1CCN(C(=O)[C@H]2CCc3ccccc3N2C(=O)c2nc(Cl)cs2)CC1 ZINC000790841984 1078144414 /nfs/dbraw/zinc/14/44/14/1078144414.db2.gz UJRFGCWLBWKHEG-OAHLLOKOSA-N 1 1 404.923 2.532 20 0 HFADMO CN(C[C@@H]1C[C@H](F)CN1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)OC(C)(C)C ZINC000790847358 1078146793 /nfs/dbraw/zinc/14/67/93/1078146793.db2.gz NCXNDLUAHPMFIM-JQHSSLGASA-N 1 1 412.550 2.992 20 0 HFADMO CC[NH+]1CCN(c2ccc(C(=O)OCc3ccc(C(=O)OC)cn3)cc2F)CC1 ZINC000793391841 1078164531 /nfs/dbraw/zinc/16/45/31/1078164531.db2.gz SDLFBJUHVUNQES-UHFFFAOYSA-N 1 1 401.438 2.506 20 0 HFADMO COc1ccc(NC(=O)[C@H]2CCCN2C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000790896541 1078175524 /nfs/dbraw/zinc/17/55/24/1078175524.db2.gz QJTXRCNLIPPJCM-MOPGFXCFSA-N 1 1 402.539 2.928 20 0 HFADMO COCC[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)C1 ZINC000793460379 1078179228 /nfs/dbraw/zinc/17/92/28/1078179228.db2.gz TYCSIBOXTANCDH-SFHVURJKSA-N 1 1 403.523 2.825 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793476229 1078185944 /nfs/dbraw/zinc/18/59/44/1078185944.db2.gz DJOBRZMKHCBWFU-AQNXPRMDSA-N 1 1 410.518 2.569 20 0 HFADMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000793457436 1078192647 /nfs/dbraw/zinc/19/26/47/1078192647.db2.gz BCZKTVUWYHDONJ-HRQSHJORSA-N 1 1 424.545 2.957 20 0 HFADMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793457434 1078192721 /nfs/dbraw/zinc/19/27/21/1078192721.db2.gz BCZKTVUWYHDONJ-ALFLXDJESA-N 1 1 424.545 2.957 20 0 HFADMO Cc1nc(SC(F)F)sc1CC(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000793493230 1078200713 /nfs/dbraw/zinc/20/07/13/1078200713.db2.gz JTZSWCODVFZXAJ-UHFFFAOYSA-N 1 1 406.568 2.699 20 0 HFADMO CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000793503802 1078204674 /nfs/dbraw/zinc/20/46/74/1078204674.db2.gz GOEBVARHMKVTBX-ISKFKSNPSA-N 1 1 405.542 2.908 20 0 HFADMO CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000793503802 1078204676 /nfs/dbraw/zinc/20/46/76/1078204676.db2.gz GOEBVARHMKVTBX-ISKFKSNPSA-N 1 1 405.542 2.908 20 0 HFADMO C[N@@H+]1CCN(C(=O)c2cccc(CN3C(=O)CSC3=O)c2)C[C@@H]1Cc1ccccc1 ZINC000793505423 1078205416 /nfs/dbraw/zinc/20/54/16/1078205416.db2.gz NHCAVWTYVFINOZ-FQEVSTJZSA-N 1 1 423.538 2.881 20 0 HFADMO C[N@H+]1CCN(C(=O)c2cccc(CN3C(=O)CSC3=O)c2)C[C@@H]1Cc1ccccc1 ZINC000793505423 1078205420 /nfs/dbraw/zinc/20/54/20/1078205420.db2.gz NHCAVWTYVFINOZ-FQEVSTJZSA-N 1 1 423.538 2.881 20 0 HFADMO CCOC1(C)CC[NH+](CN2C(=O)N[C@@](C)(CCc3ccc4c(c3)OCO4)C2=O)CC1 ZINC000793546707 1078207822 /nfs/dbraw/zinc/20/78/22/1078207822.db2.gz OZSQPZPYPGDRSC-QFIPXVFZSA-N 1 1 417.506 2.507 20 0 HFADMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c(Br)c1 ZINC000793587591 1078216220 /nfs/dbraw/zinc/21/62/20/1078216220.db2.gz HVSITLBLTQRGEG-WBVHZDCISA-N 1 1 422.323 2.915 20 0 HFADMO COC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)c(Br)c1 ZINC000793587588 1078215991 /nfs/dbraw/zinc/21/59/91/1078215991.db2.gz HVSITLBLTQRGEG-DOTOQJQBSA-N 1 1 422.323 2.915 20 0 HFADMO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2cccc(I)c2)C1 ZINC000793592121 1078217705 /nfs/dbraw/zinc/21/77/05/1078217705.db2.gz OEJIUENIKAMCMV-HOCLYGCPSA-N 1 1 411.287 2.970 20 0 HFADMO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2cccc(I)c2)C1 ZINC000793592121 1078217709 /nfs/dbraw/zinc/21/77/09/1078217709.db2.gz OEJIUENIKAMCMV-HOCLYGCPSA-N 1 1 411.287 2.970 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CN2C(=O)C[C@@](C)(c3ccc(F)cc3)C2=O)C1 ZINC000793598074 1078219495 /nfs/dbraw/zinc/21/94/95/1078219495.db2.gz MEVKRVADQZLVLD-BJKOFHAPSA-N 1 1 424.472 2.617 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CN2C(=O)C[C@@](C)(c3ccc(F)cc3)C2=O)C1 ZINC000793598074 1078219499 /nfs/dbraw/zinc/21/94/99/1078219499.db2.gz MEVKRVADQZLVLD-BJKOFHAPSA-N 1 1 424.472 2.617 20 0 HFADMO Cn1c(CN2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)nc2ccc(Cl)cc21 ZINC000793604620 1078222870 /nfs/dbraw/zinc/22/28/70/1078222870.db2.gz RRUPOCHPQXXYIC-OAHLLOKOSA-N 1 1 407.946 2.867 20 0 HFADMO Cn1c(CN2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)nc2ccc(Cl)cc21 ZINC000793604620 1078222876 /nfs/dbraw/zinc/22/28/76/1078222876.db2.gz RRUPOCHPQXXYIC-OAHLLOKOSA-N 1 1 407.946 2.867 20 0 HFADMO COc1cc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc(OC)c1OCC(N)=O ZINC000793616404 1078228649 /nfs/dbraw/zinc/22/86/49/1078228649.db2.gz VBQALMHOHHELDD-WMLDXEAASA-N 1 1 403.306 2.584 20 0 HFADMO COc1cc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc(OC)c1OCC(N)=O ZINC000793616404 1078228652 /nfs/dbraw/zinc/22/86/52/1078228652.db2.gz VBQALMHOHHELDD-WMLDXEAASA-N 1 1 403.306 2.584 20 0 HFADMO C[C@H](O)c1ccc(CNC(=O)C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000793630320 1078233085 /nfs/dbraw/zinc/23/30/85/1078233085.db2.gz KPTSCQHJSCIJTB-OALUTQOASA-N 1 1 415.578 2.859 20 0 HFADMO C[C@@H](O)c1ccc(CNC(=O)C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000793651418 1078241538 /nfs/dbraw/zinc/24/15/38/1078241538.db2.gz MTNKVNZSYXACOU-HOYKHHGWSA-N 1 1 409.530 2.527 20 0 HFADMO CC1(C)CC(=O)N(C[NH+]2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)C1=O ZINC000793670472 1078247440 /nfs/dbraw/zinc/24/74/40/1078247440.db2.gz XUHPDUJDUPMJFK-MOPGFXCFSA-N 1 1 413.518 2.756 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000793683239 1078253347 /nfs/dbraw/zinc/25/33/47/1078253347.db2.gz BWBWROIILMEHLD-AQNXPRMDSA-N 1 1 401.551 2.683 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@H]2O[C@H](C(=O)N3CCCCO3)CC[C@H]21 ZINC001170436091 1078255482 /nfs/dbraw/zinc/25/54/82/1078255482.db2.gz GVNCMCKKZSDFHW-PXCRPINLSA-N 1 1 416.518 2.912 20 0 HFADMO C[C@@H](O)c1ccc(CNC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000793654854 1078258014 /nfs/dbraw/zinc/25/80/14/1078258014.db2.gz GOSPTLRHDMGCJT-JYBLXFRWSA-N 1 1 421.541 2.668 20 0 HFADMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1Cn1nc2cnccn2c1=O ZINC000793726789 1078268329 /nfs/dbraw/zinc/26/83/29/1078268329.db2.gz ZBXNTQAAKGZNMK-NRFANRHFSA-N 1 1 408.550 2.514 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000793692479 1078269383 /nfs/dbraw/zinc/26/93/83/1078269383.db2.gz ZNTBAFYKAGJGDF-FUHIMQAGSA-N 1 1 415.559 2.831 20 0 HFADMO C[C@@H](COc1ccccc1)NC(=O)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000793700277 1078273205 /nfs/dbraw/zinc/27/32/05/1078273205.db2.gz ZBKRXAOGQUEALN-PMACEKPBSA-N 1 1 409.530 2.693 20 0 HFADMO C[N@H+]1CC[C@@]2(CCN(CN3C(=O)N[C@@](C)(c4ccc(Cl)c(Cl)c4)C3=O)C2)C1 ZINC000793763224 1078281405 /nfs/dbraw/zinc/28/14/05/1078281405.db2.gz DKIPNUVAGSOWTD-RBUKOAKNSA-N 1 1 411.333 2.746 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000793804814 1078304752 /nfs/dbraw/zinc/30/47/52/1078304752.db2.gz FLOXLRJFNCSYKG-XLIONFOSSA-N 1 1 417.513 2.905 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000793806021 1078305239 /nfs/dbraw/zinc/30/52/39/1078305239.db2.gz COGZQMFVEQHWOQ-UZLBHIALSA-N 1 1 403.486 2.597 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000793807439 1078305492 /nfs/dbraw/zinc/30/54/92/1078305492.db2.gz HJACFWVEFADITD-XMMPIXPASA-N 1 1 417.513 2.772 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NCc1oc2ccccc2c1C ZINC000793809134 1078306487 /nfs/dbraw/zinc/30/64/87/1078306487.db2.gz XPNNJKLMJVEBAQ-UHFFFAOYSA-N 1 1 403.442 2.563 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H]1c2ccccc2CC[C@H]1C ZINC000793806927 1078305800 /nfs/dbraw/zinc/30/58/00/1078305800.db2.gz VZZLGTYHEFIZCA-QRWLVFNGSA-N 1 1 403.486 2.632 20 0 HFADMO CSC[C@H]1CCCN(CN2C(=O)N[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000793797918 1078301209 /nfs/dbraw/zinc/30/12/09/1078301209.db2.gz RTXBNVMAPPQBCU-UGKGYDQZSA-N 1 1 416.591 2.606 20 0 HFADMO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@H](C)COc2ccc(C)cc2)CC1 ZINC000793780068 1078309927 /nfs/dbraw/zinc/30/99/27/1078309927.db2.gz OAJYTNIOHUVTDV-LJQANCHMSA-N 1 1 403.567 2.849 20 0 HFADMO Cc1cc([C@H]2CCCN2C(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)no1 ZINC000793839421 1078311301 /nfs/dbraw/zinc/31/13/01/1078311301.db2.gz DQCWMKOMRBFXIC-PZJWPPBQSA-N 1 1 410.518 2.675 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001170438242 1078312042 /nfs/dbraw/zinc/31/20/42/1078312042.db2.gz QZTDBECJKGXYFL-CTAFRAEOSA-N 1 1 400.519 2.838 20 0 HFADMO Cc1c[nH+]cn1C1CCN(C(=O)C(F)(F)c2ccc(OCC(=O)N(C)C)cc2)CC1 ZINC000793850667 1078323219 /nfs/dbraw/zinc/32/32/19/1078323219.db2.gz QXNMIQMUWCYPPS-UHFFFAOYSA-N 1 1 420.460 2.614 20 0 HFADMO Cc1c[nH+]cn1C1CCN(C(=O)[C@H](c2cnn(C)c2)N(C)C(=O)OC(C)(C)C)CC1 ZINC000793851425 1078323449 /nfs/dbraw/zinc/32/34/49/1078323449.db2.gz UNLPCVSIRBINFH-SFHVURJKSA-N 1 1 416.526 2.697 20 0 HFADMO COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@@H](C)c3ccc(C)s3)CC2)cc1 ZINC000793855503 1078324515 /nfs/dbraw/zinc/32/45/15/1078324515.db2.gz YENJAQWYEBVEHC-KRWDZBQOSA-N 1 1 415.559 2.977 20 0 HFADMO COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N[C@@H](C)c3ccc(C)s3)CC2)cc1 ZINC000793855503 1078324518 /nfs/dbraw/zinc/32/45/18/1078324518.db2.gz YENJAQWYEBVEHC-KRWDZBQOSA-N 1 1 415.559 2.977 20 0 HFADMO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000793863604 1078326663 /nfs/dbraw/zinc/32/66/63/1078326663.db2.gz IYJNXBJEVDPPOU-LNLFQRSKSA-N 1 1 415.559 2.639 20 0 HFADMO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000793863604 1078326667 /nfs/dbraw/zinc/32/66/67/1078326667.db2.gz IYJNXBJEVDPPOU-LNLFQRSKSA-N 1 1 415.559 2.639 20 0 HFADMO C[NH+](C)CCOc1ccc(C=CC(=O)N[C@@H](Cc2nc[nH]n2)c2ccccc2)cc1 ZINC000793876624 1078331512 /nfs/dbraw/zinc/33/15/12/1078331512.db2.gz WGCINPLTRFLALT-DGDFFNOKSA-N 1 1 405.502 2.859 20 0 HFADMO C[NH+](C)CCOc1ccc(C=CC(=O)N[C@H](Cc2nc[nH]n2)c2ccccc2)cc1 ZINC000793876625 1078331682 /nfs/dbraw/zinc/33/16/82/1078331682.db2.gz WGCINPLTRFLALT-NZIDHHNMSA-N 1 1 405.502 2.859 20 0 HFADMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000793909560 1078334854 /nfs/dbraw/zinc/33/48/54/1078334854.db2.gz HUVUIWSGRSJRHO-APAFKAMOSA-N 1 1 421.607 2.645 20 0 HFADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000793928354 1078340385 /nfs/dbraw/zinc/34/03/85/1078340385.db2.gz ATXUGAITZQUWGG-GQWLDOHISA-N 1 1 411.933 2.875 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000793930207 1078341011 /nfs/dbraw/zinc/34/10/11/1078341011.db2.gz JQHLGZKFRANIFO-RXVVDRJESA-N 1 1 408.546 2.711 20 0 HFADMO Cc1ccc(N2C[C@@H](C(=O)NC3CCN(c4[nH+]ccn4C)CC3)CCC2=O)cc1C ZINC000793952641 1078345476 /nfs/dbraw/zinc/34/54/76/1078345476.db2.gz PZYSPCWKVWFHAB-SFHVURJKSA-N 1 1 409.534 2.565 20 0 HFADMO CN(C(=O)C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000793952603 1078345653 /nfs/dbraw/zinc/34/56/53/1078345653.db2.gz SQZZUMDBFGKBRS-GIVPXCGWSA-N 1 1 420.642 2.582 20 0 HFADMO CN(C(=O)C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000793952603 1078345659 /nfs/dbraw/zinc/34/56/59/1078345659.db2.gz SQZZUMDBFGKBRS-GIVPXCGWSA-N 1 1 420.642 2.582 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@]2(C1)C[C@H](NC(=O)N(C)C)CCO2 ZINC001170440918 1078355072 /nfs/dbraw/zinc/35/50/72/1078355072.db2.gz FPPFAMMQIULMGA-KGVIQGDOSA-N 1 1 403.523 2.631 20 0 HFADMO Cc1cc(NC(=O)CCCC[NH+]2CCOCC2)c(C(=O)NCC(F)(F)F)cc1F ZINC000793988512 1078357380 /nfs/dbraw/zinc/35/73/80/1078357380.db2.gz PWKCRTVPRDYHOK-UHFFFAOYSA-N 1 1 419.419 2.867 20 0 HFADMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F ZINC000794222721 1078386423 /nfs/dbraw/zinc/38/64/23/1078386423.db2.gz XWZCLIHKPHQIIV-OAHLLOKOSA-N 1 1 401.548 2.705 20 0 HFADMO CC1=C(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)n2ncnc2N1C ZINC000794146840 1078378089 /nfs/dbraw/zinc/37/80/89/1078378089.db2.gz HLAGMWIAIBRKLM-UYAOXDASSA-N 1 1 408.550 2.981 20 0 HFADMO Cc1nc(C[NH+]2CCC(C(=O)N(CCO)Cc3cccnc3Cl)CC2)cs1 ZINC000794325291 1078414515 /nfs/dbraw/zinc/41/45/15/1078414515.db2.gz GKZNSCFXCZIAGU-UHFFFAOYSA-N 1 1 408.955 2.733 20 0 HFADMO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C[C@@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000794330407 1078415684 /nfs/dbraw/zinc/41/56/84/1078415684.db2.gz VZCNNIQSZYRIEC-CVEARBPZSA-N 1 1 401.548 2.593 20 0 HFADMO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000804373501 1078438034 /nfs/dbraw/zinc/43/80/34/1078438034.db2.gz UNQSTLSEWYBUHG-ATZDWAIDSA-N 1 1 416.541 2.661 20 0 HFADMO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000804373501 1078438037 /nfs/dbraw/zinc/43/80/37/1078438037.db2.gz UNQSTLSEWYBUHG-ATZDWAIDSA-N 1 1 416.541 2.661 20 0 HFADMO CC[N@@H+]1CCN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)[C@@H](C)C1 ZINC000804379948 1078439868 /nfs/dbraw/zinc/43/98/68/1078439868.db2.gz RPDIFQKGVALANL-ZDUSSCGKSA-N 1 1 401.960 2.583 20 0 HFADMO CC[N@H+]1CCN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)[C@@H](C)C1 ZINC000804379948 1078439871 /nfs/dbraw/zinc/43/98/71/1078439871.db2.gz RPDIFQKGVALANL-ZDUSSCGKSA-N 1 1 401.960 2.583 20 0 HFADMO CCN1CC[NH+](CC(C)(C)NC(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC001129808293 1078505656 /nfs/dbraw/zinc/50/56/56/1078505656.db2.gz NUCVQMWXMHZXDY-UHFFFAOYSA-N 1 1 418.326 2.802 20 0 HFADMO O=C(C[C@@H](O)c1cccc(F)c1)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804448950 1078516323 /nfs/dbraw/zinc/51/63/23/1078516323.db2.gz SDYJKJXMLQSNMA-DHIUTWEWSA-N 1 1 411.521 2.668 20 0 HFADMO Cc1c(C(=O)N[C@H](C)[C@H](O)c2ccc(C)cc2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000804475786 1078518918 /nfs/dbraw/zinc/51/89/18/1078518918.db2.gz HUPCYIOJUIAXOY-MWTRTKDXSA-N 1 1 419.529 2.724 20 0 HFADMO C[C@@H]1Oc2ccccc2N(CCC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC001129828188 1078522279 /nfs/dbraw/zinc/52/22/79/1078522279.db2.gz GTYBPYRSXHYGIU-OALUTQOASA-N 1 1 407.514 2.924 20 0 HFADMO C[C@@H]1Oc2ccccc2N(CCC(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC001129828188 1078522281 /nfs/dbraw/zinc/52/22/81/1078522281.db2.gz GTYBPYRSXHYGIU-OALUTQOASA-N 1 1 407.514 2.924 20 0 HFADMO CCCCS(=O)(=O)N1CCC(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001129827942 1078522290 /nfs/dbraw/zinc/52/22/90/1078522290.db2.gz DJWYZDPLUZKEHI-LJQANCHMSA-N 1 1 421.607 2.561 20 0 HFADMO CCCCS(=O)(=O)N1CCC(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001129827942 1078522292 /nfs/dbraw/zinc/52/22/92/1078522292.db2.gz DJWYZDPLUZKEHI-LJQANCHMSA-N 1 1 421.607 2.561 20 0 HFADMO C[C@H]1CN(C(=O)[C@@H](c2ccccc2F)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001129827933 1078522357 /nfs/dbraw/zinc/52/23/57/1078522357.db2.gz DIJVBRBCFZKCRK-WMZHIEFXSA-N 1 1 411.521 2.932 20 0 HFADMO C[C@H]1CN(C(=O)[C@@H](c2ccccc2F)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001129827933 1078522361 /nfs/dbraw/zinc/52/23/61/1078522361.db2.gz DIJVBRBCFZKCRK-WMZHIEFXSA-N 1 1 411.521 2.932 20 0 HFADMO Cn1cc[nH+]c1N1CCN(c2cc(Br)cnc2Br)CC1 ZINC000804466291 1078528709 /nfs/dbraw/zinc/52/87/09/1078528709.db2.gz ROKYRUXSGDYAQZ-UHFFFAOYSA-N 1 1 401.106 2.667 20 0 HFADMO CC(=O)c1ccc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c(S(N)(=O)=O)c1 ZINC000804528300 1078566387 /nfs/dbraw/zinc/56/63/87/1078566387.db2.gz YWEXFQIRDNJANI-INIZCTEOSA-N 1 1 401.532 2.637 20 0 HFADMO Cn1ncc(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1Br ZINC000804534268 1078570942 /nfs/dbraw/zinc/57/09/42/1078570942.db2.gz FUFPUMHLICQDMO-LJQANCHMSA-N 1 1 403.324 2.921 20 0 HFADMO C[C@@H](NS(=O)(=O)c1cccc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1)c1ccccc1 ZINC001129903677 1078576183 /nfs/dbraw/zinc/57/61/83/1078576183.db2.gz AXCYWFZGXUSEOX-XLIONFOSSA-N 1 1 415.559 2.892 20 0 HFADMO Cc1cc(N2C[C@H](C(=O)N(C)C[C@H]3CCC[N@H+]3C)CC2=O)ccc1Br ZINC001129906039 1078578063 /nfs/dbraw/zinc/57/80/63/1078578063.db2.gz VJUOMIODOIVAGC-GDBMZVCRSA-N 1 1 408.340 2.663 20 0 HFADMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000804730153 1078588917 /nfs/dbraw/zinc/58/89/17/1078588917.db2.gz YGGXBBGJEASFPV-FUHWJXTLSA-N 1 1 409.452 2.622 20 0 HFADMO C[N@@H+](CCCCNC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C1CC1 ZINC001129628738 1078601864 /nfs/dbraw/zinc/60/18/64/1078601864.db2.gz YFXRHJYBFRTUCD-QGOAFFKASA-N 1 1 419.591 2.690 20 0 HFADMO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)ccc1Br ZINC000804775596 1078600820 /nfs/dbraw/zinc/60/08/20/1078600820.db2.gz JUXJCQSKLYUBHM-ZDUSSCGKSA-N 1 1 417.369 2.847 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)ccc1Br ZINC000804775596 1078600828 /nfs/dbraw/zinc/60/08/28/1078600828.db2.gz JUXJCQSKLYUBHM-ZDUSSCGKSA-N 1 1 417.369 2.847 20 0 HFADMO COCC(C)(C)[NH+]1CCN(C(=O)c2nn(-c3ccccc3)cc2Br)CC1 ZINC001129928540 1078623136 /nfs/dbraw/zinc/62/31/36/1078623136.db2.gz UBRQHIZGUVFIHR-UHFFFAOYSA-N 1 1 421.339 2.818 20 0 HFADMO C[C@@H](C(=O)NCC1([NH+]2CCOCC2)CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC001129670099 1078628977 /nfs/dbraw/zinc/62/89/77/1078628977.db2.gz UBRWEZZAQFWYNP-OAHLLOKOSA-N 1 1 400.441 2.807 20 0 HFADMO COC(=O)c1cnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)cc1C(F)(F)F ZINC000804579299 1078635245 /nfs/dbraw/zinc/63/52/45/1078635245.db2.gz SAOSDGJPMNURGB-UHFFFAOYSA-N 1 1 414.472 2.882 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCC[C@H](N4CCCC4=O)CC3)cc2)C[C@H](C)O1 ZINC001129705822 1078653304 /nfs/dbraw/zinc/65/33/04/1078653304.db2.gz QODMSAOUIVNKBJ-JQVVWYNYSA-N 1 1 413.562 2.913 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCC[C@H](N4CCCC4=O)CC3)cc2)C[C@H](C)O1 ZINC001129705822 1078653307 /nfs/dbraw/zinc/65/33/07/1078653307.db2.gz QODMSAOUIVNKBJ-JQVVWYNYSA-N 1 1 413.562 2.913 20 0 HFADMO O=C(NC1CC[NH+](Cc2cccc(Br)c2)CC1)c1cnc2n1CCOC2 ZINC001129697000 1078655853 /nfs/dbraw/zinc/65/58/53/1078655853.db2.gz KLONDZFSUPSTOA-UHFFFAOYSA-N 1 1 419.323 2.570 20 0 HFADMO COCC(COC)[NH+]1CCN(C(=O)CCCc2cccc(C(F)(F)F)c2)CC1 ZINC001129698385 1078657070 /nfs/dbraw/zinc/65/70/70/1078657070.db2.gz HJHDKWXHVGGWCB-UHFFFAOYSA-N 1 1 402.457 2.834 20 0 HFADMO C[C@H]1CN(C(=O)CN2c3ccccc3OC(F)(F)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC001129703106 1078661523 /nfs/dbraw/zinc/66/15/23/1078661523.db2.gz AJFFJQTVOZZEPU-INIZCTEOSA-N 1 1 415.440 2.738 20 0 HFADMO C[C@H]1CN(C(=O)CN2c3ccccc3OC(F)(F)C2=O)CC[N@H+]1Cc1ccccc1 ZINC001129703106 1078661525 /nfs/dbraw/zinc/66/15/25/1078661525.db2.gz AJFFJQTVOZZEPU-INIZCTEOSA-N 1 1 415.440 2.738 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000804828793 1078667713 /nfs/dbraw/zinc/66/77/13/1078667713.db2.gz ANCDTOSPDUIQBK-SIKLNZKXSA-N 1 1 422.573 2.786 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(c3ncnc4ccc(F)cc43)C2)CC1 ZINC000804835571 1078677080 /nfs/dbraw/zinc/67/70/80/1078677080.db2.gz YMLUOCATIBLYCC-INIZCTEOSA-N 1 1 401.486 2.900 20 0 HFADMO COC(=O)c1cnc(N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC000804625836 1078678677 /nfs/dbraw/zinc/67/86/77/1078678677.db2.gz GLCBRBAPZNEVNT-FQEVSTJZSA-N 1 1 423.435 2.960 20 0 HFADMO CCOC(=O)c1c(NC(=O)CN2C[C@H]3CC[N@@H+](C)[C@H]3C2)sc2c1CC[C@H](C)C2 ZINC001170459427 1078681400 /nfs/dbraw/zinc/68/14/00/1078681400.db2.gz GXMDMNBWGNMUBC-LZWOXQAQSA-N 1 1 405.564 2.624 20 0 HFADMO CCS(=O)(=O)CCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001129734367 1078681412 /nfs/dbraw/zinc/68/14/12/1078681412.db2.gz SLZMOUIXOVALKT-LEWJYISDSA-N 1 1 406.592 2.866 20 0 HFADMO CCC1([NH+]2CCCC2)CCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC001170469566 1078725234 /nfs/dbraw/zinc/72/52/34/1078725234.db2.gz WXLAGERNVNIPHF-UHFFFAOYSA-N 1 1 400.548 2.552 20 0 HFADMO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000804906271 1078729026 /nfs/dbraw/zinc/72/90/26/1078729026.db2.gz HLGVPXYRIGQUBL-LJQANCHMSA-N 1 1 413.440 2.572 20 0 HFADMO CCc1ccc(N2CCN(C(=O)NCCCCN3CC[NH+](C)CC3)CC2)cc1Cl ZINC000804912597 1078734760 /nfs/dbraw/zinc/73/47/60/1078734760.db2.gz ZTMWHKIGAKICCQ-UHFFFAOYSA-N 1 1 422.017 2.762 20 0 HFADMO CCc1ccc([C@H](O)CNC(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000804914207 1078736122 /nfs/dbraw/zinc/73/61/22/1078736122.db2.gz ZFJPOKQXULRWHL-AUSIDOKSSA-N 1 1 410.562 2.792 20 0 HFADMO Cc1ccccc1[C@H](O)C1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000804902260 1078758015 /nfs/dbraw/zinc/75/80/15/1078758015.db2.gz ZKPPYNXFHNNODB-FGZHOGPDSA-N 1 1 403.567 2.807 20 0 HFADMO COC(=O)N1CCC(CNC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000805013999 1078823945 /nfs/dbraw/zinc/82/39/45/1078823945.db2.gz MREGNVIUDOMMEZ-HXUWFJFHSA-N 1 1 402.539 2.676 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNS(=O)(=O)Cc1cccc(Br)c1 ZINC000805007696 1078851968 /nfs/dbraw/zinc/85/19/68/1078851968.db2.gz XMKBOBDSBAEDQB-UHFFFAOYSA-N 1 1 421.320 2.958 20 0 HFADMO CC(C)N(C(=O)CC1CCN(S(C)(=O)=O)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001130058311 1078881533 /nfs/dbraw/zinc/88/15/33/1078881533.db2.gz YVFKQCXJGIEWOA-NRFANRHFSA-N 1 1 421.607 2.560 20 0 HFADMO CC[N@@H+]1CC=C(c2cnc(NCCOCCOCCOCCOC)c(C)c2)CC1 ZINC001170475486 1078889312 /nfs/dbraw/zinc/88/93/12/1078889312.db2.gz VFZRWDWXQYMJQJ-UHFFFAOYSA-N 1 1 407.555 2.607 20 0 HFADMO C[NH+](C)C[C@@H](NS(=O)(=O)c1c(Cl)nc2sccn21)c1ccc(F)cc1 ZINC000805121533 1078905344 /nfs/dbraw/zinc/90/53/44/1078905344.db2.gz QLZPJOHYZJTKHI-GFCCVEGCSA-N 1 1 402.904 2.770 20 0 HFADMO O=C(CCOc1ccc(Cl)cc1Br)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000747229533 1078938173 /nfs/dbraw/zinc/93/81/73/1078938173.db2.gz KCCMKQCHMGOBDO-KBPBESRZSA-N 1 1 417.731 2.851 20 0 HFADMO CC(C)N(CC[NH+]1CCCCCC1)C(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O ZINC000805280028 1079006232 /nfs/dbraw/zinc/00/62/32/1079006232.db2.gz XDLWKPPRXGHWKX-UHFFFAOYSA-N 1 1 416.497 2.601 20 0 HFADMO CC[C@@H](CNS(=O)(=O)c1ccc(F)c(C(=O)OC)c1)[N@@H+]1CCc2ccccc2C1 ZINC000747238836 1079026052 /nfs/dbraw/zinc/02/60/52/1079026052.db2.gz IDWOCUHQBYLJHO-KRWDZBQOSA-N 1 1 420.506 2.728 20 0 HFADMO CC[C@@H](CNS(=O)(=O)c1ccc(F)c(C(=O)OC)c1)[N@H+]1CCc2ccccc2C1 ZINC000747238836 1079026059 /nfs/dbraw/zinc/02/60/59/1079026059.db2.gz IDWOCUHQBYLJHO-KRWDZBQOSA-N 1 1 420.506 2.728 20 0 HFADMO CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)C1 ZINC000805312755 1079032993 /nfs/dbraw/zinc/03/29/93/1079032993.db2.gz WHJDZPFCIVITMW-ROUUACIJSA-N 1 1 408.543 3.000 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)ccc1F ZINC000747237410 1079031581 /nfs/dbraw/zinc/03/15/81/1079031581.db2.gz JRZPMJFHJBYGQP-INIZCTEOSA-N 1 1 412.508 2.789 20 0 HFADMO CCCNC(=O)OC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000805411763 1079073263 /nfs/dbraw/zinc/07/32/63/1079073263.db2.gz YFLYPXKYYWYUHP-VQTJNVASSA-N 1 1 402.539 2.811 20 0 HFADMO O=C(C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)NCCc1ccc(OC(F)(F)F)cc1 ZINC001170481615 1079077663 /nfs/dbraw/zinc/07/76/63/1079077663.db2.gz WFTYIQXKQHBXOO-KSZLIROESA-N 1 1 400.441 2.869 20 0 HFADMO O=C(NC1CCCCC1)OC[C@H]1CCCN1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000805478383 1079092660 /nfs/dbraw/zinc/09/26/60/1079092660.db2.gz SMDPZFVCPAXBAB-QGZVFWFLSA-N 1 1 403.527 2.952 20 0 HFADMO COC(=O)c1nnn(-c2ccccc2)c1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001130201910 1079100969 /nfs/dbraw/zinc/10/09/69/1079100969.db2.gz WNSVVXNCMOQYRK-SFHVURJKSA-N 1 1 419.485 2.905 20 0 HFADMO O=C(NC[C@@H]1CCC=CO1)C(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000805513593 1079112979 /nfs/dbraw/zinc/11/29/79/1079112979.db2.gz VHJVHOFYMAOAML-SFHVURJKSA-N 1 1 417.509 2.710 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000747251931 1079127304 /nfs/dbraw/zinc/12/73/04/1079127304.db2.gz BADIYDBSIJENJQ-CBHXRGPZSA-N 1 1 402.516 2.762 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)ccc1F ZINC000747253490 1079154000 /nfs/dbraw/zinc/15/40/00/1079154000.db2.gz LBXJDTDPIBOXFM-ZBFHGGJFSA-N 1 1 406.479 2.726 20 0 HFADMO CC(C)(C(=O)OCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)[NH+]1CCCC1 ZINC000805614415 1079175199 /nfs/dbraw/zinc/17/51/99/1079175199.db2.gz OWAAJHQVPBYPIN-KRWDZBQOSA-N 1 1 402.491 2.539 20 0 HFADMO Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001130300641 1079192142 /nfs/dbraw/zinc/19/21/42/1079192142.db2.gz BXHITWYTXGNIGR-RBUKOAKNSA-N 1 1 407.580 2.819 20 0 HFADMO COc1ccc(-n2cnnc2SCC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC001130301634 1079193791 /nfs/dbraw/zinc/19/37/91/1079193791.db2.gz SKNUCRRZLJQKTR-MSOLQXFVSA-N 1 1 401.536 2.501 20 0 HFADMO Cc1ccc(CC(=O)O[C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)n1 ZINC000805666953 1079210836 /nfs/dbraw/zinc/21/08/36/1079210836.db2.gz YYBNUTOLYACDME-LPHOPBHVSA-N 1 1 415.921 2.908 20 0 HFADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)COC(=O)C[C@H](O)CC(C)(C)C)CC1 ZINC000805728886 1079238187 /nfs/dbraw/zinc/23/81/87/1079238187.db2.gz VTUOWQIQZXTUGN-FQEVSTJZSA-N 1 1 404.551 2.760 20 0 HFADMO CC(C)(C)OC(=O)NCCC[N@@H+](CC1CCCC1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000805779431 1079249725 /nfs/dbraw/zinc/24/97/25/1079249725.db2.gz WVMQPZAWDMKIBW-GOSISDBHSA-N 1 1 417.616 2.675 20 0 HFADMO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000747268673 1079251676 /nfs/dbraw/zinc/25/16/76/1079251676.db2.gz VXEVYEWGQFJICC-NSHDSACASA-N 1 1 409.335 2.933 20 0 HFADMO C[N@@H+](CC(=O)NC1CCC2(CC1)OCCO2)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000805790514 1079257099 /nfs/dbraw/zinc/25/70/99/1079257099.db2.gz ATVVYRHTJDONQO-VQTJNVASSA-N 1 1 402.535 2.966 20 0 HFADMO C[C@H]1C[NH+](Cc2ccc(C(=O)N3CCc4cc(Cl)nnc4C3)cc2)C[C@H](C)O1 ZINC001130369126 1079267031 /nfs/dbraw/zinc/26/70/31/1079267031.db2.gz CECXUVLSBAFSQF-GJZGRUSLSA-N 1 1 400.910 2.938 20 0 HFADMO Cc1cc(=O)n2nc(C[N@H+]3CCCC[C@@H]3CCNC(=O)OC(C)(C)C)sc2n1 ZINC000805765939 1079268269 /nfs/dbraw/zinc/26/82/69/1079268269.db2.gz SMWYWYDACXFRMX-CQSZACIVSA-N 1 1 407.540 2.729 20 0 HFADMO Cc1cccc(C[NH+]2CCN(C(=O)CN(C)CC(F)(F)Br)CC2)c1 ZINC000805837009 1079276340 /nfs/dbraw/zinc/27/63/40/1079276340.db2.gz YHSZZCYCMROBQK-UHFFFAOYSA-N 1 1 404.299 2.559 20 0 HFADMO O=C(CC[N@@H+]1CCCn2c(cc3ccccc32)C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000805841650 1079278932 /nfs/dbraw/zinc/27/89/32/1079278932.db2.gz RMIVMEBAQYEUMG-UHFFFAOYSA-N 1 1 423.517 2.523 20 0 HFADMO O=C(CC[N@H+]1CCCn2c(cc3ccccc32)C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000805841650 1079278944 /nfs/dbraw/zinc/27/89/44/1079278944.db2.gz RMIVMEBAQYEUMG-UHFFFAOYSA-N 1 1 423.517 2.523 20 0 HFADMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000805800670 1079280315 /nfs/dbraw/zinc/28/03/15/1079280315.db2.gz INQPSJZNOVPNLB-YJBOKZPZSA-N 1 1 412.552 2.847 20 0 HFADMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000805800670 1079280324 /nfs/dbraw/zinc/28/03/24/1079280324.db2.gz INQPSJZNOVPNLB-YJBOKZPZSA-N 1 1 412.552 2.847 20 0 HFADMO CC(=O)NCC[C@@H]1CCC[N@H+](CC(=O)c2cc(C)n(NC(=O)c3ccccc3)c2C)C1 ZINC000805825271 1079295054 /nfs/dbraw/zinc/29/50/54/1079295054.db2.gz PBECHSZAQUPSAT-FQEVSTJZSA-N 1 1 424.545 2.910 20 0 HFADMO CC(=O)NCC[C@@H]1CCC[N@@H+](CC(=O)c2cc(C)n(NC(=O)c3ccccc3)c2C)C1 ZINC000805825271 1079295058 /nfs/dbraw/zinc/29/50/58/1079295058.db2.gz PBECHSZAQUPSAT-FQEVSTJZSA-N 1 1 424.545 2.910 20 0 HFADMO Cc1cc(=O)n2nc(C[N@@H+]3CCCC[C@@H]3COC(=O)NC3CCCCC3)sc2n1 ZINC000805827436 1079297536 /nfs/dbraw/zinc/29/75/36/1079297536.db2.gz SHHVYOSDFCPDLX-MRXNPFEDSA-N 1 1 419.551 2.873 20 0 HFADMO Cc1cc(=O)n2nc(C[N@H+]3CCCC[C@@H]3COC(=O)NC3CCCCC3)sc2n1 ZINC000805827436 1079297544 /nfs/dbraw/zinc/29/75/44/1079297544.db2.gz SHHVYOSDFCPDLX-MRXNPFEDSA-N 1 1 419.551 2.873 20 0 HFADMO C[C@@H](CNC(=O)c1cccnc1)OC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000805896664 1079325197 /nfs/dbraw/zinc/32/51/97/1079325197.db2.gz BWKGJGLIBDYNTE-OKZBNKHCSA-N 1 1 411.502 2.666 20 0 HFADMO C[C@@H](CNC(=O)c1cccnc1)OC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000805896664 1079325208 /nfs/dbraw/zinc/32/52/08/1079325208.db2.gz BWKGJGLIBDYNTE-OKZBNKHCSA-N 1 1 411.502 2.666 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)OC3CCN(c4ccncn4)CC3)cc2)C[C@H](C)O1 ZINC000805899779 1079326227 /nfs/dbraw/zinc/32/62/27/1079326227.db2.gz AHFLRLDRHBRQEI-HDICACEKSA-N 1 1 410.518 2.912 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)OC3CCN(c4ccncn4)CC3)cc2)C[C@H](C)O1 ZINC000805899779 1079326231 /nfs/dbraw/zinc/32/62/31/1079326231.db2.gz AHFLRLDRHBRQEI-HDICACEKSA-N 1 1 410.518 2.912 20 0 HFADMO CCCCCn1nc(C(=O)N2CC[N@H+](CCOC)CC2(C)C)c2ccccc2c1=O ZINC001130418340 1079336730 /nfs/dbraw/zinc/33/67/30/1079336730.db2.gz XFDUMPPUFLYLKF-UHFFFAOYSA-N 1 1 414.550 2.770 20 0 HFADMO CCCCCn1nc(C(=O)N2CC[N@@H+](CCOC)CC2(C)C)c2ccccc2c1=O ZINC001130418340 1079336736 /nfs/dbraw/zinc/33/67/36/1079336736.db2.gz XFDUMPPUFLYLKF-UHFFFAOYSA-N 1 1 414.550 2.770 20 0 HFADMO COCC[N@H+]1CCN(C(=O)[C@@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)C(C)(C)C1 ZINC001130421264 1079340841 /nfs/dbraw/zinc/34/08/41/1079340841.db2.gz NCZVLXPYKSFEJO-HTAPYJJXSA-N 1 1 409.571 2.593 20 0 HFADMO COCC[N@@H+]1CCN(C(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2C)C(C)(C)C1 ZINC001130421333 1079341263 /nfs/dbraw/zinc/34/12/63/1079341263.db2.gz PLLXHHYMZXPERH-UHFFFAOYSA-N 1 1 415.538 2.546 20 0 HFADMO COCC[N@H+]1CCN(C(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2C)C(C)(C)C1 ZINC001130421333 1079341265 /nfs/dbraw/zinc/34/12/65/1079341265.db2.gz PLLXHHYMZXPERH-UHFFFAOYSA-N 1 1 415.538 2.546 20 0 HFADMO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000805940743 1079343156 /nfs/dbraw/zinc/34/31/56/1079343156.db2.gz BDHJGQFSNYXMKB-SIKLNZKXSA-N 1 1 411.546 2.514 20 0 HFADMO COC(=O)[C@@]1(NC(=O)C[C@H]2OCc3ccccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC001130448184 1079349348 /nfs/dbraw/zinc/34/93/48/1079349348.db2.gz LPWQGRKCQSIMPU-ZJSXRUAMSA-N 1 1 408.498 2.972 20 0 HFADMO O=S(=O)(c1ccc(SC(F)(F)F)cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000747291185 1079390612 /nfs/dbraw/zinc/39/06/12/1079390612.db2.gz SHQXESHHSHSNKB-UHFFFAOYSA-N 1 1 410.483 2.784 20 0 HFADMO C[C@@H](CNC(=O)c1ccc(-n2cc(Br)cn2)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130471822 1079398403 /nfs/dbraw/zinc/39/84/03/1079398403.db2.gz GDKBZDRGGIKNHG-SOUVJXGZSA-N 1 1 421.339 2.862 20 0 HFADMO C[C@@H](CNC(=O)c1ccc(-n2cc(Br)cn2)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130471822 1079398410 /nfs/dbraw/zinc/39/84/10/1079398410.db2.gz GDKBZDRGGIKNHG-SOUVJXGZSA-N 1 1 421.339 2.862 20 0 HFADMO C[C@H](CNC(=O)CN(C(=O)c1ccccc1)c1ccccc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130472173 1079398473 /nfs/dbraw/zinc/39/84/73/1079398473.db2.gz LWKVUMLOBNXJPG-AQNXPRMDSA-N 1 1 409.530 2.947 20 0 HFADMO C[C@H](CNC(=O)CN(C(=O)c1ccccc1)c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130472173 1079398478 /nfs/dbraw/zinc/39/84/78/1079398478.db2.gz LWKVUMLOBNXJPG-AQNXPRMDSA-N 1 1 409.530 2.947 20 0 HFADMO COC[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1cccc(Cl)c1F ZINC000806134245 1079435603 /nfs/dbraw/zinc/43/56/03/1079435603.db2.gz WHDZDBPZTMSIIS-KRWDZBQOSA-N 1 1 400.903 2.876 20 0 HFADMO COC(=O)[C@@H]1CN(C(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C[C@H]1C1CC1 ZINC001130526736 1079435680 /nfs/dbraw/zinc/43/56/80/1079435680.db2.gz LRLZAKLAFYTJBJ-LXDRIQHSSA-N 1 1 400.519 2.567 20 0 HFADMO COC(=O)[C@@H]1CN(C(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C[C@H]1C1CC1 ZINC001130526736 1079435683 /nfs/dbraw/zinc/43/56/83/1079435683.db2.gz LRLZAKLAFYTJBJ-LXDRIQHSSA-N 1 1 400.519 2.567 20 0 HFADMO CCc1nc([C@H](C)NC(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000806110578 1079440450 /nfs/dbraw/zinc/44/04/50/1079440450.db2.gz ICABEXBQJNJCCC-AOMKIAJQSA-N 1 1 414.575 2.911 20 0 HFADMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(Br)cc1-n1cncn1 ZINC001130519843 1079451551 /nfs/dbraw/zinc/45/15/51/1079451551.db2.gz XVQUEZRQRDYINF-JKSUJKDBSA-N 1 1 404.312 2.777 20 0 HFADMO CC[N@@H+](Cc1ccc(C(=O)O[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1)C(C)C ZINC000806125334 1079456094 /nfs/dbraw/zinc/45/60/94/1079456094.db2.gz HFPFSDUVOIVCAL-INIZCTEOSA-N 1 1 424.485 2.896 20 0 HFADMO Cn1nc(C(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)cc1C(F)(F)F ZINC001130527859 1079464390 /nfs/dbraw/zinc/46/43/90/1079464390.db2.gz IZTLZSLYGSRCGQ-IRXDYDNUSA-N 1 1 408.424 2.554 20 0 HFADMO COCCOc1cccc(C(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001130529730 1079466235 /nfs/dbraw/zinc/46/62/35/1079466235.db2.gz YOLTXJXQMMEOAP-GOTSBHOMSA-N 1 1 410.514 2.827 20 0 HFADMO CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000787332779 1076744846 /nfs/dbraw/zinc/74/48/46/1076744846.db2.gz OXHMYJFVVHACPZ-GFCCVEGCSA-N 1 1 407.421 2.944 20 0 HFADMO C[C@H](NC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CC(N)=O)C1)c1ccccc1 ZINC000746676434 1076750573 /nfs/dbraw/zinc/75/05/73/1076750573.db2.gz VVDVLQVPEHTQBK-ROUUACIJSA-N 1 1 422.529 2.704 20 0 HFADMO C[C@H](NC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CC(N)=O)C1)c1ccccc1 ZINC000746676434 1076750581 /nfs/dbraw/zinc/75/05/81/1076750581.db2.gz VVDVLQVPEHTQBK-ROUUACIJSA-N 1 1 422.529 2.704 20 0 HFADMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000746676222 1076750755 /nfs/dbraw/zinc/75/07/55/1076750755.db2.gz IGSXRFKQLVVJAJ-AVRDEDQJSA-N 1 1 402.560 2.720 20 0 HFADMO CCOCCC[N@H+]1CC[C@@H](NCc2ccc(S(=O)(=O)C(F)F)cc2)[C@H](C)C1 ZINC000787303302 1076752142 /nfs/dbraw/zinc/75/21/42/1076752142.db2.gz KYDWMALSXHAFDZ-CRAIPNDOSA-N 1 1 404.523 2.910 20 0 HFADMO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)[C@@H]1C ZINC000787324640 1076768008 /nfs/dbraw/zinc/76/80/08/1076768008.db2.gz KWJWBEYOGAFOAV-PBHICJAKSA-N 1 1 413.449 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2.537 20 0 HFADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787393291 1076806415 /nfs/dbraw/zinc/80/64/15/1076806415.db2.gz IDJQRZQVHQRHCJ-SJORKVTESA-N 1 1 419.570 2.938 20 0 HFADMO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787393291 1076806418 /nfs/dbraw/zinc/80/64/18/1076806418.db2.gz IDJQRZQVHQRHCJ-SJORKVTESA-N 1 1 419.570 2.938 20 0 HFADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787393291 1076806423 /nfs/dbraw/zinc/80/64/23/1076806423.db2.gz IDJQRZQVHQRHCJ-SJORKVTESA-N 1 1 419.570 2.938 20 0 HFADMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787457590 1076818774 /nfs/dbraw/zinc/81/87/74/1076818774.db2.gz VWYPTMIXEDDNFE-INIZCTEOSA-N 1 1 416.526 2.801 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2Cc2ccc(C)cc2)cn1 ZINC000787476146 1076836202 /nfs/dbraw/zinc/83/62/02/1076836202.db2.gz DUEFPFHCMMVGGA-OAQYLSRUSA-N 1 1 417.513 2.734 20 0 HFADMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000746687821 1076836554 /nfs/dbraw/zinc/83/65/54/1076836554.db2.gz KSQHADINBGFODS-DOTOQJQBSA-N 1 1 408.527 2.637 20 0 HFADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000746687821 1076836561 /nfs/dbraw/zinc/83/65/61/1076836561.db2.gz KSQHADINBGFODS-DOTOQJQBSA-N 1 1 408.527 2.637 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)cn1 ZINC000787476816 1076837349 /nfs/dbraw/zinc/83/73/49/1076837349.db2.gz FORGVPUJDZHMOJ-ICSRJNTNSA-N 1 1 421.476 2.784 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)cn1 ZINC000787481224 1076838980 /nfs/dbraw/zinc/83/89/80/1076838980.db2.gz KVJRLUAMZZGCEP-UWJYYQICSA-N 1 1 417.513 2.905 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H](C)C(C)(C)c2ccccc2)cn1 ZINC000787483514 1076841852 /nfs/dbraw/zinc/84/18/52/1076841852.db2.gz FPNZNCOHPQNMTF-MRXNPFEDSA-N 1 1 405.502 2.674 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@H]2/C=C\c2ccccc2)cn1 ZINC000787483597 1076842287 /nfs/dbraw/zinc/84/22/87/1076842287.db2.gz GLXKYCAGJRUQKQ-IZKUIKQZSA-N 1 1 415.497 2.896 20 0 HFADMO CCC[C@H](Cc1ccccc1)NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000787484687 1076842941 /nfs/dbraw/zinc/84/29/41/1076842941.db2.gz LDRXKVFBQODADO-HXUWFJFHSA-N 1 1 405.502 2.720 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(CCc2ccc(F)cc2)C2CC2)cn1 ZINC000787487020 1076843826 /nfs/dbraw/zinc/84/38/26/1076843826.db2.gz AUGOAIMLDYTEOH-UHFFFAOYSA-N 1 1 421.476 2.565 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@@H](Cc3ccccc3)C2)cn1 ZINC000787487006 1076843851 /nfs/dbraw/zinc/84/38/51/1076843851.db2.gz AGASGWQATZOXQC-FQEVSTJZSA-N 1 1 417.513 2.673 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@@](C)(c3ccccc3)C2)cn1 ZINC000787486406 1076844373 /nfs/dbraw/zinc/84/43/73/1076844373.db2.gz QOKWFJWOKXBCMR-XMMPIXPASA-N 1 1 417.513 2.772 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N(C)CCCn2cc[nH+]c2C)c(Cl)cc1Cl ZINC000746690547 1076860398 /nfs/dbraw/zinc/86/03/98/1076860398.db2.gz FGDKLMGIAWTWTH-UHFFFAOYSA-N 1 1 420.318 2.996 20 0 HFADMO C[C@@H](CCNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)[N@H+](C)Cc1ccccc1 ZINC000746693656 1076860674 /nfs/dbraw/zinc/86/06/74/1076860674.db2.gz HBKXWMVMYZFEBG-INIZCTEOSA-N 1 1 410.543 2.712 20 0 HFADMO C[C@@H](CCNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)[N@@H+](C)Cc1ccccc1 ZINC000746693656 1076860682 /nfs/dbraw/zinc/86/06/82/1076860682.db2.gz HBKXWMVMYZFEBG-INIZCTEOSA-N 1 1 410.543 2.712 20 0 HFADMO CCCCN1C(=O)c2ccc(C(=O)OCCC[NH+]3CCN(C(C)C)CC3)cc2C1=O ZINC000787563406 1076866028 /nfs/dbraw/zinc/86/60/28/1076866028.db2.gz LUOOOIMJNGJYSL-UHFFFAOYSA-N 1 1 415.534 2.656 20 0 HFADMO COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@H](C)CCSC)[NH+]1CCCCC1 ZINC000787584460 1076874179 /nfs/dbraw/zinc/87/41/79/1076874179.db2.gz JJLLOIDZIYZXMA-SJLPKXTDSA-N 1 1 407.580 2.596 20 0 HFADMO CCN(c1ccc(NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)cc1)C(C)C ZINC000787606772 1076875922 /nfs/dbraw/zinc/87/59/22/1076875922.db2.gz KQXWVEHZZMTEPL-GOSISDBHSA-N 1 1 416.566 2.572 20 0 HFADMO COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H](C)Cc1ccco1)[NH+]1CCCCC1 ZINC000787599594 1076887581 /nfs/dbraw/zinc/88/75/81/1076887581.db2.gz UIKJVWPZGQSDHY-PXNSSMCTSA-N 1 1 413.518 2.679 20 0 HFADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cccc(SC(F)F)c1 ZINC000787603007 1076888518 /nfs/dbraw/zinc/88/85/18/1076888518.db2.gz DBTSVYHVRKJRTF-ZDUSSCGKSA-N 1 1 413.490 2.652 20 0 HFADMO CCN(c1ccc(NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)cc1)C(C)C ZINC000787603938 1076889295 /nfs/dbraw/zinc/88/92/95/1076889295.db2.gz KQXWVEHZZMTEPL-SFHVURJKSA-N 1 1 416.566 2.572 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000787681553 1076909816 /nfs/dbraw/zinc/90/98/16/1076909816.db2.gz DWUIPPXDOHZJHO-YLJYHZDGSA-N 1 1 417.550 2.964 20 0 HFADMO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)C2)cc1 ZINC000787709422 1076921063 /nfs/dbraw/zinc/92/10/63/1076921063.db2.gz WZSIOUKBPPEZJN-HBMCJLEFSA-N 1 1 414.594 2.564 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@@H]([NH+]2CCN(CCc3ccccc3)CC2)C1 ZINC000787710117 1076921308 /nfs/dbraw/zinc/92/13/08/1076921308.db2.gz ZZSBBOCIUIKABM-NZQKXSOJSA-N 1 1 403.567 2.607 20 0 HFADMO Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000787713524 1076923314 /nfs/dbraw/zinc/92/33/14/1076923314.db2.gz ZQOHDTWYCMJQIV-KRWDZBQOSA-N 1 1 400.523 2.877 20 0 HFADMO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000787819819 1076953434 /nfs/dbraw/zinc/95/34/34/1076953434.db2.gz SBHMMASHPIXWTI-UXHICEINSA-N 1 1 406.885 2.920 20 0 HFADMO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000787819819 1076953437 /nfs/dbraw/zinc/95/34/37/1076953437.db2.gz SBHMMASHPIXWTI-UXHICEINSA-N 1 1 406.885 2.920 20 0 HFADMO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787877834 1076973840 /nfs/dbraw/zinc/97/38/40/1076973840.db2.gz DIBVBBUUXOPEES-JKSUJKDBSA-N 1 1 405.543 2.737 20 0 HFADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)c2cnn(CC(F)(F)F)c2)CC1 ZINC000787856175 1076982483 /nfs/dbraw/zinc/98/24/83/1076982483.db2.gz MMHGGJNMRVCOGK-OAHLLOKOSA-N 1 1 424.423 2.508 20 0 HFADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000787904494 1076988652 /nfs/dbraw/zinc/98/86/52/1076988652.db2.gz SZGLKUWUKHXTDX-UGKGYDQZSA-N 1 1 415.578 2.729 20 0 HFADMO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000787904271 1076988673 /nfs/dbraw/zinc/98/86/73/1076988673.db2.gz QVPRXMXDSQZFTG-SFTDATJTSA-N 1 1 414.594 2.851 20 0 HFADMO C[C@@H](CONC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)NC(=O)OC(C)(C)C ZINC000787910112 1076991850 /nfs/dbraw/zinc/99/18/50/1076991850.db2.gz IZBQZOGDPAYNSF-NSHDSACASA-N 1 1 411.409 2.780 20 0 HFADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)C1 ZINC000787911730 1076992423 /nfs/dbraw/zinc/99/24/23/1076992423.db2.gz QEAXDQQNNWPAKI-CEXWTWQISA-N 1 1 421.607 2.791 20 0 HFADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)C1 ZINC000787911753 1076992439 /nfs/dbraw/zinc/99/24/39/1076992439.db2.gz QEAXDQQNNWPAKI-QYZOEREBSA-N 1 1 421.607 2.791 20 0 HFADMO O=S(=O)(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cnc(Cl)c(F)c1 ZINC000787920761 1076997986 /nfs/dbraw/zinc/99/79/86/1076997986.db2.gz SJTWTUVBXVJANY-UHFFFAOYSA-N 1 1 401.866 2.956 20 0 HFADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000787901282 1077004575 /nfs/dbraw/zinc/00/45/75/1077004575.db2.gz BMMGHQJRHBGLHH-CEXWTWQISA-N 1 1 421.607 2.933 20 0 HFADMO C[C@H](Cc1ccco1)NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000787961422 1077009961 /nfs/dbraw/zinc/00/99/61/1077009961.db2.gz LDRLKKKHKMNUIQ-RHSMWYFYSA-N 1 1 423.435 2.736 20 0 HFADMO C[C@H](Cc1ccco1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000787961422 1077009965 /nfs/dbraw/zinc/00/99/65/1077009965.db2.gz LDRLKKKHKMNUIQ-RHSMWYFYSA-N 1 1 423.435 2.736 20 0 HFADMO 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COC[C@@H](Cc1ccccc1)[N@@H+](C)CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000789454643 1077580706 /nfs/dbraw/zinc/58/07/06/1077580706.db2.gz CRVXXBKBYVPGNP-JOCHJYFZSA-N 1 1 409.530 2.619 20 0 HFADMO Cc1c(Cl)cccc1N1CCC[N@@H+](CN2C[C@@H](c3cncn3C)CC2=O)CC1 ZINC000789458007 1077581546 /nfs/dbraw/zinc/58/15/46/1077581546.db2.gz SELDOXSDQPRCNY-KRWDZBQOSA-N 1 1 401.942 2.868 20 0 HFADMO Cc1c(Cl)cccc1N1CCC[N@H+](CN2C[C@@H](c3cncn3C)CC2=O)CC1 ZINC000789458007 1077581551 /nfs/dbraw/zinc/58/15/51/1077581551.db2.gz SELDOXSDQPRCNY-KRWDZBQOSA-N 1 1 401.942 2.868 20 0 HFADMO Cc1ccc(CNC(=O)C2CC[NH+]([C@H]3CC(=O)N(c4ccc(C)cc4)C3=O)CC2)cc1 ZINC000746817484 1077586742 /nfs/dbraw/zinc/58/67/42/1077586742.db2.gz ZTJCYGVVWWBLJR-QFIPXVFZSA-N 1 1 419.525 2.964 20 0 HFADMO CS(=O)(=O)c1cccc(C(=O)COC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000791901602 1077590266 /nfs/dbraw/zinc/59/02/66/1077590266.db2.gz JPXZGFPPODKTHD-IBGZPJMESA-N 1 1 415.511 2.728 20 0 HFADMO COC(=O)C1=C(C[N@H+]2CCC[C@]2(CO)CC(C)C)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000789504091 1077598506 /nfs/dbraw/zinc/59/85/06/1077598506.db2.gz LTZBCUAOBIAHNG-NZQKXSOJSA-N 1 1 415.534 2.683 20 0 HFADMO CS(=O)(=O)c1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1Cl ZINC000791939575 1077599798 /nfs/dbraw/zinc/59/97/98/1077599798.db2.gz OLYQAHFNBXVNLU-HDICACEKSA-N 1 1 418.946 2.948 20 0 HFADMO CN(CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C(=O)OCc1ccccc1 ZINC000791938833 1077600094 /nfs/dbraw/zinc/60/00/94/1077600094.db2.gz IATWWMJOBXTHBO-SZPZYZBQSA-N 1 1 407.514 2.845 20 0 HFADMO CCOC(=O)C1C(C[N@H+]2CCC[C@@]2(CO)CC(C)C)=NC(=O)N[C@H]1c1ccccc1 ZINC000789507609 1077601282 /nfs/dbraw/zinc/60/12/82/1077601282.db2.gz SRBUINVXDTWIQA-REWPJTCUSA-N 1 1 415.534 2.731 20 0 HFADMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)NC(=O)N[C@H]1c1ccccc1 ZINC000789507609 1077601288 /nfs/dbraw/zinc/60/12/88/1077601288.db2.gz SRBUINVXDTWIQA-REWPJTCUSA-N 1 1 415.534 2.731 20 0 HFADMO CCOC(=O)C1=C(C[N@H+]2CCC[C@@]2(CO)CC(C)C)NC(=O)N[C@H]1c1ccccc1 ZINC000789507609 1077601291 /nfs/dbraw/zinc/60/12/91/1077601291.db2.gz SRBUINVXDTWIQA-REWPJTCUSA-N 1 1 415.534 2.731 20 0 HFADMO CCOC(=O)C1C(C[N@H+]2CCC[C@@]2(CO)CC(C)C)=NC(=O)N[C@@H]1c1ccccc1 ZINC000789507607 1077601348 /nfs/dbraw/zinc/60/13/48/1077601348.db2.gz SRBUINVXDTWIQA-OFNKIYASSA-N 1 1 415.534 2.731 20 0 HFADMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)NC(=O)N[C@@H]1c1ccccc1 ZINC000789507607 1077601351 /nfs/dbraw/zinc/60/13/51/1077601351.db2.gz SRBUINVXDTWIQA-OFNKIYASSA-N 1 1 415.534 2.731 20 0 HFADMO CCOC(=O)C1=C(C[N@H+]2CCC[C@@]2(CO)CC(C)C)NC(=O)N[C@@H]1c1ccccc1 ZINC000789507607 1077601353 /nfs/dbraw/zinc/60/13/53/1077601353.db2.gz SRBUINVXDTWIQA-OFNKIYASSA-N 1 1 415.534 2.731 20 0 HFADMO CCNC(=O)C[C@H]1CCCC[N@@H+]1CN1C(=O)N[C@@](CC)(c2ccc(CC)cc2)C1=O ZINC000789519617 1077614251 /nfs/dbraw/zinc/61/42/51/1077614251.db2.gz MAKYEHHTTQCMBX-XXBNENTESA-N 1 1 414.550 2.744 20 0 HFADMO CCNC(=O)C[C@H]1CCCC[N@H+]1CN1C(=O)N[C@@](CC)(c2ccc(CC)cc2)C1=O ZINC000789519617 1077614252 /nfs/dbraw/zinc/61/42/52/1077614252.db2.gz MAKYEHHTTQCMBX-XXBNENTESA-N 1 1 414.550 2.744 20 0 HFADMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000791982130 1077621947 /nfs/dbraw/zinc/62/19/47/1077621947.db2.gz PSOJIINKLOYYJJ-QRFRQXIXSA-N 1 1 405.498 2.943 20 0 HFADMO O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000789538398 1077633506 /nfs/dbraw/zinc/63/35/06/1077633506.db2.gz BCHKWKYMVCKTQO-QHCPKHFHSA-N 1 1 405.498 2.942 20 0 HFADMO O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000789538398 1077633508 /nfs/dbraw/zinc/63/35/08/1077633508.db2.gz BCHKWKYMVCKTQO-QHCPKHFHSA-N 1 1 405.498 2.942 20 0 HFADMO COc1cc(C)c(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000792016468 1077651800 /nfs/dbraw/zinc/65/18/00/1077651800.db2.gz QKPWFEJLETUAOC-UHFFFAOYSA-N 1 1 407.511 2.894 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCc2ccc(OC(F)F)cc2)CC1 ZINC000792031348 1077658498 /nfs/dbraw/zinc/65/84/98/1077658498.db2.gz WKQRFMXZDDHVGP-UHFFFAOYSA-N 1 1 413.465 2.847 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000792057242 1077663455 /nfs/dbraw/zinc/66/34/55/1077663455.db2.gz NWBPGYMDFAVQER-KKSFZXQISA-N 1 1 403.523 2.968 20 0 HFADMO COCCOc1ccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000792066644 1077674260 /nfs/dbraw/zinc/67/42/60/1077674260.db2.gz OQGSWSBFSJQFOZ-UHFFFAOYSA-N 1 1 421.538 2.902 20 0 HFADMO C[C@@H]1C[N@H+](CCCNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)C[C@H](C)O1 ZINC000792036822 1077687599 /nfs/dbraw/zinc/68/75/99/1077687599.db2.gz YCWLVLUETXIEOU-IYBDPMFKSA-N 1 1 406.527 2.587 20 0 HFADMO CCC(CC)[C@@H](CNC(=O)c1nc(Br)ccc1F)[NH+]1CCOCC1 ZINC000792051580 1077694753 /nfs/dbraw/zinc/69/47/53/1077694753.db2.gz CUZICWZYTVGTBT-CQSZACIVSA-N 1 1 402.308 2.850 20 0 HFADMO C/C=C(/CC)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CC[NH+](C)CC1 ZINC000789611050 1077707951 /nfs/dbraw/zinc/70/79/51/1077707951.db2.gz QQJFVUZPNGNLHH-FMQZQXMHSA-N 1 1 422.595 2.764 20 0 HFADMO COC(=O)[C@]1(NC(=O)[C@@H]2CC(=O)c3ccccc32)CCC[N@H+](Cc2ccccc2)C1 ZINC000789658993 1077723537 /nfs/dbraw/zinc/72/35/37/1077723537.db2.gz YKRLSMHJJSUTLT-YKSBVNFPSA-N 1 1 406.482 2.681 20 0 HFADMO COC(=O)[C@]1(NC(=O)[C@@H]2CC(=O)c3ccccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000789658993 1077723543 /nfs/dbraw/zinc/72/35/43/1077723543.db2.gz YKRLSMHJJSUTLT-YKSBVNFPSA-N 1 1 406.482 2.681 20 0 HFADMO COc1cccc2c1OCC[C@@H]2NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792123020 1077729433 /nfs/dbraw/zinc/72/94/33/1077729433.db2.gz KKWJIKOWOYIQNV-KRWDZBQOSA-N 1 1 419.522 2.578 20 0 HFADMO CCCC[N@@H+](C)CC1CCN(C(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792170003 1077733325 /nfs/dbraw/zinc/73/33/25/1077733325.db2.gz BCFLPVIYNNKQBP-UHFFFAOYSA-N 1 1 424.630 2.900 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N[C@H]2C[C@H]2c2c(F)cccc2F)CC1 ZINC000792178705 1077736350 /nfs/dbraw/zinc/73/63/50/1077736350.db2.gz NXVKFGKOILVYPD-PBHICJAKSA-N 1 1 409.477 2.880 20 0 HFADMO CCc1nc([C@@H]2CCCCN2C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)no1 ZINC000792190387 1077739413 /nfs/dbraw/zinc/73/94/13/1077739413.db2.gz KLGFSZKDTLFOFS-INIZCTEOSA-N 1 1 421.542 2.628 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCc2cccc(N3CC=CC3)c2)CC1 ZINC000792192533 1077740001 /nfs/dbraw/zinc/74/00/01/1077740001.db2.gz BZMZWRCMFKUCCN-UHFFFAOYSA-N 1 1 414.550 2.622 20 0 HFADMO C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792194197 1077740443 /nfs/dbraw/zinc/74/04/43/1077740443.db2.gz PBBHEZPJCWPQKB-YTQUADARSA-N 1 1 402.539 2.673 20 0 HFADMO COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792197532 1077741382 /nfs/dbraw/zinc/74/13/82/1077741382.db2.gz YVXXWZZPXFOIJJ-WMZHIEFXSA-N 1 1 417.550 2.784 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCO[C@H](c3cccs3)C2)CC1 ZINC000792227509 1077752394 /nfs/dbraw/zinc/75/23/94/1077752394.db2.gz XHLUNFQUKFSYOH-INIZCTEOSA-N 1 1 409.552 2.591 20 0 HFADMO COc1ccc(OC)c([C@@H](O)CNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000792233605 1077756538 /nfs/dbraw/zinc/75/65/38/1077756538.db2.gz PHXBLWTTXGKPOM-NQIIRXRSSA-N 1 1 413.518 2.559 20 0 HFADMO CCOc1cccc(CCNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792242238 1077761803 /nfs/dbraw/zinc/76/18/03/1077761803.db2.gz NLIOIQCYSHCRBH-UHFFFAOYSA-N 1 1 405.539 2.687 20 0 HFADMO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000792244304 1077762869 /nfs/dbraw/zinc/76/28/69/1077762869.db2.gz WWWPPSIXAMNTMZ-HIFRSBDPSA-N 1 1 422.323 2.980 20 0 HFADMO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000792244309 1077762897 /nfs/dbraw/zinc/76/28/97/1077762897.db2.gz WWWPPSIXAMNTMZ-ZFWWWQNUSA-N 1 1 422.323 2.980 20 0 HFADMO CCC[C@H]1CN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)CC[N@H+]1CCOC ZINC000792290814 1077777397 /nfs/dbraw/zinc/77/73/97/1077777397.db2.gz SLUPYEPPAHFNGK-IBGZPJMESA-N 1 1 420.554 2.930 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCC[C@@H](C[C@@H]3CCOC3)C2)CC1 ZINC000792300575 1077795575 /nfs/dbraw/zinc/79/55/75/1077795575.db2.gz RQVFIIPEHUOPRA-OALUTQOASA-N 1 1 409.571 2.594 20 0 HFADMO COc1cccc(C2=NO[C@H](C(=O)Nc3cccc4c3CC[N@@H+](CC(C)(C)O)C4)C2)c1 ZINC000792315482 1077804073 /nfs/dbraw/zinc/80/40/73/1077804073.db2.gz AOUTVUASFHRZBW-QFIPXVFZSA-N 1 1 423.513 2.956 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000789807163 1077807034 /nfs/dbraw/zinc/80/70/34/1077807034.db2.gz GCPSXZZAJARCFO-HNNXBMFYSA-N 1 1 422.485 2.747 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000789807163 1077807039 /nfs/dbraw/zinc/80/70/39/1077807039.db2.gz GCPSXZZAJARCFO-HNNXBMFYSA-N 1 1 422.485 2.747 20 0 HFADMO CN1Cc2cc(NC(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)ccc2NC1=O ZINC000792329540 1077810129 /nfs/dbraw/zinc/81/01/29/1077810129.db2.gz BCUQRLICNLCEFW-UHFFFAOYSA-N 1 1 417.510 2.545 20 0 HFADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789840228 1077816622 /nfs/dbraw/zinc/81/66/22/1077816622.db2.gz LXKPGCLUYBXBDR-QGZVFWFLSA-N 1 1 423.989 2.561 20 0 HFADMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000792367363 1077818209 /nfs/dbraw/zinc/81/82/09/1077818209.db2.gz UBJDSLWUZQVWSA-OAHLLOKOSA-N 1 1 406.408 2.677 20 0 HFADMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1c(F)cccc1-n1cccn1 ZINC000792369052 1077818316 /nfs/dbraw/zinc/81/83/16/1077818316.db2.gz PZUQLVGBSTUUJV-GOSISDBHSA-N 1 1 421.476 2.588 20 0 HFADMO CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000792369810 1077818512 /nfs/dbraw/zinc/81/85/12/1077818512.db2.gz VGLONIPPZDOYAF-GOSISDBHSA-N 1 1 424.501 2.832 20 0 HFADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)Nc1cc(-c2ccccc2)ccc1Cl ZINC000792339464 1077825893 /nfs/dbraw/zinc/82/58/93/1077825893.db2.gz ABQATRJWFUXQRW-ROUUACIJSA-N 1 1 413.905 2.925 20 0 HFADMO C[C@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000792386836 1077829770 /nfs/dbraw/zinc/82/97/70/1077829770.db2.gz VSUBDOCMVKUJQU-CYBMUJFWSA-N 1 1 404.417 2.940 20 0 HFADMO O=C(C[NH+]1CCC(Oc2ccc(F)nc2)CC1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000792388230 1077831500 /nfs/dbraw/zinc/83/15/00/1077831500.db2.gz BPWRCWLWAYEBSG-GOSISDBHSA-N 1 1 412.509 2.707 20 0 HFADMO CN(OCc1ccccc1)C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000789889582 1077837759 /nfs/dbraw/zinc/83/77/59/1077837759.db2.gz ISYMPZVPXRJALZ-UHFFFAOYSA-N 1 1 417.456 2.636 20 0 HFADMO CON(Cc1ccccc1)C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000789889340 1077838075 /nfs/dbraw/zinc/83/80/75/1077838075.db2.gz FEABHQNGQKRNIX-UHFFFAOYSA-N 1 1 417.456 2.636 20 0 HFADMO O=C(CC[NH+]1CCOCC1)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000789856109 1077840263 /nfs/dbraw/zinc/84/02/63/1077840263.db2.gz YYEWXQNPMGYWAA-LJQANCHMSA-N 1 1 418.335 2.966 20 0 HFADMO COc1ccc(OC)c([C@H](C)NC(=O)C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c1 ZINC000792380286 1077845615 /nfs/dbraw/zinc/84/56/15/1077845615.db2.gz OXXBWNIZVCYYGQ-HNNXBMFYSA-N 1 1 417.481 2.959 20 0 HFADMO CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000789916135 1077846230 /nfs/dbraw/zinc/84/62/30/1077846230.db2.gz FOBFTEWRQSJVDH-SFHVURJKSA-N 1 1 411.468 2.739 20 0 HFADMO CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000789916135 1077846235 /nfs/dbraw/zinc/84/62/35/1077846235.db2.gz FOBFTEWRQSJVDH-SFHVURJKSA-N 1 1 411.468 2.739 20 0 HFADMO O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)c1ccn(CC(F)F)n1 ZINC000789917861 1077846966 /nfs/dbraw/zinc/84/69/66/1077846966.db2.gz VNAOARUXYGBNSC-UHFFFAOYSA-N 1 1 403.433 2.687 20 0 HFADMO CCOc1ccc(OCCNC(=O)C[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc1 ZINC000792383588 1077847733 /nfs/dbraw/zinc/84/77/33/1077847733.db2.gz CEWMPDMEXIIZMF-UHFFFAOYSA-N 1 1 417.481 2.658 20 0 HFADMO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1nc(Br)cs1 ZINC000792424254 1077850947 /nfs/dbraw/zinc/85/09/47/1077850947.db2.gz MXJCDHWSNXVQQC-ZIAGYGMSSA-N 1 1 410.337 2.518 20 0 HFADMO O=C(Cc1csc(-c2nc[nH]n2)n1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000746863338 1077854225 /nfs/dbraw/zinc/85/42/25/1077854225.db2.gz AVCWHPPYVIMLRG-QFIPXVFZSA-N 1 1 422.558 2.985 20 0 HFADMO CCc1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CCC(=O)NC(C)(C)C ZINC001546539572 1077856139 /nfs/dbraw/zinc/85/61/39/1077856139.db2.gz KXPDMKFVTHGTDF-UHFFFAOYSA-N 1 1 404.584 2.529 20 0 HFADMO O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)c1ccn(CC(F)F)n1 ZINC000789907751 1077857399 /nfs/dbraw/zinc/85/73/99/1077857399.db2.gz AVMLHBLIOGATCT-UHFFFAOYSA-N 1 1 411.884 2.744 20 0 HFADMO CC(C)n1ncc2cc(C=CC(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c(=O)[nH]c21 ZINC000792495684 1077867313 /nfs/dbraw/zinc/86/73/13/1077867313.db2.gz NSIJWJROKCEROY-QWUACUGRSA-N 1 1 419.529 2.957 20 0 HFADMO Cc1cc(CCNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc(C)c1O ZINC000792475617 1077874302 /nfs/dbraw/zinc/87/43/02/1077874302.db2.gz MGUMEQLJKLOVMM-UHFFFAOYSA-N 1 1 405.539 2.611 20 0 HFADMO Cc1ccccc1C[NH+]1CCN(C(=O)Cn2ccnc2[C@H](O)c2ccc(F)cc2)CC1 ZINC000789968956 1077875936 /nfs/dbraw/zinc/87/59/36/1077875936.db2.gz ASKVNOXGOGINTJ-HSZRJFAPSA-N 1 1 422.504 2.757 20 0 HFADMO CCO[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000792484012 1077877466 /nfs/dbraw/zinc/87/74/66/1077877466.db2.gz HYQYHJSPPWBCRY-IBGZPJMESA-N 1 1 405.539 2.823 20 0 HFADMO C[C@@H]1C[N@@H+](CCCNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)CCCO1 ZINC000792485147 1077877798 /nfs/dbraw/zinc/87/77/98/1077877798.db2.gz LKHIYYLUZCMTEA-MRXNPFEDSA-N 1 1 406.527 2.588 20 0 HFADMO COC(=O)[C@H](CCc1ccccc1)Nc1nc2ccccc2nc1N1CC[NH+](C)CC1 ZINC001170170076 1077894494 /nfs/dbraw/zinc/89/44/94/1077894494.db2.gz NVLVMQSBMLKOBH-NRFANRHFSA-N 1 1 419.529 2.968 20 0 HFADMO COC(=O)c1nn(-c2ccccc2)cc1OC[C@H](O)C[N@H+]1CCC=C(c2ccco2)C1 ZINC001170182966 1077903432 /nfs/dbraw/zinc/90/34/32/1077903432.db2.gz BUSDZRZJZBVXMH-LJQANCHMSA-N 1 1 423.469 2.781 20 0 HFADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000790031975 1077904772 /nfs/dbraw/zinc/90/47/72/1077904772.db2.gz FSHIGRVMFSYYAQ-OAQYLSRUSA-N 1 1 414.594 2.716 20 0 HFADMO O=C(C=CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccc2n[nH]cc2c1 ZINC000792579102 1077915544 /nfs/dbraw/zinc/91/55/44/1077915544.db2.gz UEEAKRMCZKFJSE-CVBPSMBISA-N 1 1 415.497 2.648 20 0 HFADMO Cc1cc(C)cc([C@@H](O)C[NH+]2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)c1 ZINC001170264623 1077921083 /nfs/dbraw/zinc/92/10/83/1077921083.db2.gz SWUDCFHTZQZXMJ-QYZOEREBSA-N 1 1 414.468 2.885 20 0 HFADMO C[C@@H](Cc1ccccc1Cl)[N@@H+]1Cc2ccnn2C[C@@H](COCC(=O)N(C)C)C1 ZINC001170275965 1077926802 /nfs/dbraw/zinc/92/68/02/1077926802.db2.gz KSABKSMAJBYMBN-IRXDYDNUSA-N 1 1 404.942 2.704 20 0 HFADMO O=C(C[C@H](O)c1cccc(F)c1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000772810338 1077929219 /nfs/dbraw/zinc/92/92/19/1077929219.db2.gz JNTXPSNVLPQKIN-FQEVSTJZSA-N 1 1 405.901 2.841 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000790052766 1077931718 /nfs/dbraw/zinc/93/17/18/1077931718.db2.gz KYIQFEPUSAUEHE-NRFANRHFSA-N 1 1 414.594 2.572 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@H](CC[N@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)C1 ZINC001170280831 1077936576 /nfs/dbraw/zinc/93/65/76/1077936576.db2.gz SOBZCAFAOXGTOL-ARFHVFGLSA-N 1 1 419.488 2.976 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@@H+]1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001170283400 1077937245 /nfs/dbraw/zinc/93/72/45/1077937245.db2.gz KUMKDSAUTWIQRI-UTKZUKDTSA-N 1 1 402.926 2.669 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@H+]1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001170283400 1077937246 /nfs/dbraw/zinc/93/72/46/1077937246.db2.gz KUMKDSAUTWIQRI-UTKZUKDTSA-N 1 1 402.926 2.669 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2)[C@H]2OCCC[C@H]21 ZINC001170283496 1077937370 /nfs/dbraw/zinc/93/73/70/1077937370.db2.gz MDKVIPHMGFKWBT-LMFCIFFHSA-N 1 1 402.926 2.666 20 0 HFADMO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001170332886 1077945697 /nfs/dbraw/zinc/94/56/97/1077945697.db2.gz ITLIIXMROQPTAD-BZUAXINKSA-N 1 1 419.574 2.550 20 0 HFADMO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001170332886 1077945698 /nfs/dbraw/zinc/94/56/98/1077945698.db2.gz ITLIIXMROQPTAD-BZUAXINKSA-N 1 1 419.574 2.550 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2C[N@H+]2CC[C@@H](O)C23CCCC3)C1 ZINC001206047597 1077948536 /nfs/dbraw/zinc/94/85/36/1077948536.db2.gz JSLMHLVYOMDSOB-FUHWJXTLSA-N 1 1 405.543 2.730 20 0 HFADMO CN(C)c1ccc(NC(=O)CC[N@@H+]2CCn3c(Cc4ccccc4)nnc3C2)cc1 ZINC000790129310 1077951564 /nfs/dbraw/zinc/95/15/64/1077951564.db2.gz SUERZFQOUKVJFZ-UHFFFAOYSA-N 1 1 404.518 2.779 20 0 HFADMO CN(C)c1ccc(NC(=O)CC[N@H+]2CCn3c(Cc4ccccc4)nnc3C2)cc1 ZINC000790129310 1077951566 /nfs/dbraw/zinc/95/15/66/1077951566.db2.gz SUERZFQOUKVJFZ-UHFFFAOYSA-N 1 1 404.518 2.779 20 0 HFADMO CCOC(=O)N1[C@@H](C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@@H]1c1ccc(C)o1 ZINC000790129154 1077951658 /nfs/dbraw/zinc/95/16/58/1077951658.db2.gz YILGEBRKLUYDOC-FCGDIQPGSA-N 1 1 421.538 2.818 20 0 HFADMO CCOC(=O)N1[C@@H](C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@@H]1c1ccc(C)o1 ZINC000790129154 1077951660 /nfs/dbraw/zinc/95/16/60/1077951660.db2.gz YILGEBRKLUYDOC-FCGDIQPGSA-N 1 1 421.538 2.818 20 0 HFADMO CCOC(=O)Nc1c2cc(-n3[nH]c(=O)c(CC[NH3+])c3C)ccc2oc1C(=O)OCC ZINC001170344206 1077954191 /nfs/dbraw/zinc/95/41/91/1077954191.db2.gz JIEFMJRFUQZHNZ-UHFFFAOYSA-N 1 1 416.434 2.879 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000790124871 1077958943 /nfs/dbraw/zinc/95/89/43/1077958943.db2.gz COJSRJSABUOZNB-HDICACEKSA-N 1 1 411.587 2.981 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000790124871 1077958945 /nfs/dbraw/zinc/95/89/45/1077958945.db2.gz COJSRJSABUOZNB-HDICACEKSA-N 1 1 411.587 2.981 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)C[C@H](C)O1 ZINC000790125964 1077959800 /nfs/dbraw/zinc/95/98/00/1077959800.db2.gz HXWGIYQFEBZKAF-NSHGMRRFSA-N 1 1 419.566 2.863 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)C[C@H](C)O1 ZINC000790125964 1077959804 /nfs/dbraw/zinc/95/98/04/1077959804.db2.gz HXWGIYQFEBZKAF-NSHGMRRFSA-N 1 1 419.566 2.863 20 0 HFADMO COC(=O)Nc1ccccc1C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000790160675 1077962490 /nfs/dbraw/zinc/96/24/90/1077962490.db2.gz HBJGGQPWFYMJPH-UHFFFAOYSA-N 1 1 410.434 2.777 20 0 HFADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)CCc3ccc(N(C)C)cc3)n2)c1C ZINC000790160319 1077962709 /nfs/dbraw/zinc/96/27/09/1077962709.db2.gz AGOIQIJVIDTGLE-UHFFFAOYSA-N 1 1 408.506 2.984 20 0 HFADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)c3cccc(C)c3NC(C)=O)n2)c1C ZINC000790160406 1077962747 /nfs/dbraw/zinc/96/27/47/1077962747.db2.gz FFBFSGBTHXEJIQ-UHFFFAOYSA-N 1 1 408.462 2.866 20 0 HFADMO CCOc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1OC ZINC001170412688 1077967078 /nfs/dbraw/zinc/96/70/78/1077967078.db2.gz SWICTAGDCCOLNQ-DLBZAZTESA-N 1 1 419.566 2.885 20 0 HFADMO COc1cncc(C(=O)NN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000790214382 1077971850 /nfs/dbraw/zinc/97/18/50/1077971850.db2.gz HVVMONUGEICSJB-UHFFFAOYSA-N 1 1 403.486 2.537 20 0 HFADMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1F)c2=O ZINC000746887570 1077972923 /nfs/dbraw/zinc/97/29/23/1077972923.db2.gz RDXCKHBYPINBKA-CQSZACIVSA-N 1 1 424.501 2.780 20 0 HFADMO CCC[N@H+]1CC[C@@H](CNC(=O)N(Cc2ccccc2)C[C@@H](O)c2cnn(CC)c2)C1 ZINC000790241286 1077974979 /nfs/dbraw/zinc/97/49/79/1077974979.db2.gz QVBFVRYWKLOPRX-RBBKRZOGSA-N 1 1 413.566 2.880 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000790242131 1077975150 /nfs/dbraw/zinc/97/51/50/1077975150.db2.gz HXOMYCDYFAYURE-UHFFFAOYSA-N 1 1 410.453 2.863 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000790242070 1077975187 /nfs/dbraw/zinc/97/51/87/1077975187.db2.gz GSHKGAGPUCNSHP-INIZCTEOSA-N 1 1 415.444 2.504 20 0 HFADMO C[NH+](C)[C@@H](CNC(=O)N[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1)c1ccco1 ZINC000792791029 1077992413 /nfs/dbraw/zinc/99/24/13/1077992413.db2.gz XKODEGRTOOLPQB-AVRDEDQJSA-N 1 1 414.506 2.983 20 0 HFADMO CC(C)[C@H](CNC(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC000792790689 1077992611 /nfs/dbraw/zinc/99/26/11/1077992611.db2.gz BJPZBSWJMBZCTF-IBGZPJMESA-N 1 1 424.586 2.600 20 0 HFADMO O=C(COC(=O)c1cc(Cc2ccccc2)[nH]n1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000792793926 1077993723 /nfs/dbraw/zinc/99/37/23/1077993723.db2.gz NONIXFQTBVISKN-UHFFFAOYSA-N 1 1 418.497 2.502 20 0 HFADMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790314547 1077994953 /nfs/dbraw/zinc/99/49/53/1077994953.db2.gz MTPHKTCIDLVQOA-OXJNMPFZSA-N 1 1 401.532 2.518 20 0 HFADMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790314547 1077994956 /nfs/dbraw/zinc/99/49/56/1077994956.db2.gz MTPHKTCIDLVQOA-OXJNMPFZSA-N 1 1 401.532 2.518 20 0 HFADMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1nc(Br)ccc1Br ZINC000790318982 1077995681 /nfs/dbraw/zinc/99/56/81/1077995681.db2.gz OIEROZCTIXKPLS-QWRGUYRKSA-N 1 1 403.118 2.963 20 0 HFADMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1nc(Br)ccc1Br ZINC000790318979 1077995758 /nfs/dbraw/zinc/99/57/58/1077995758.db2.gz OIEROZCTIXKPLS-MNOVXSKESA-N 1 1 403.118 2.963 20 0 HFADMO O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NC1CC[NH+](C2CCCCC2)CC1 ZINC000746897872 1078007883 /nfs/dbraw/zinc/00/78/83/1078007883.db2.gz WFKRIVOYJKUFKK-UHFFFAOYSA-N 1 1 400.548 2.599 20 0 HFADMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1nc(Br)ccc1Br ZINC000790344945 1078008106 /nfs/dbraw/zinc/00/81/06/1078008106.db2.gz YHZYEDVHVWWXJX-ZJUUUORDSA-N 1 1 403.118 2.963 20 0 HFADMO O=C(CCc1cnccn1)NN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000792857784 1078009947 /nfs/dbraw/zinc/00/99/47/1078009947.db2.gz IEWOTUUJXQYDEF-UHFFFAOYSA-N 1 1 401.514 2.848 20 0 HFADMO CO[C@]1(C)CCCN(C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792870152 1078011964 /nfs/dbraw/zinc/01/19/64/1078011964.db2.gz FNFAYUOVTBIGLQ-OAQYLSRUSA-N 1 1 412.575 2.530 20 0 HFADMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790368428 1078016199 /nfs/dbraw/zinc/01/61/99/1078016199.db2.gz UYQDJSUDRJKCJS-FQEVSTJZSA-N 1 1 400.429 2.634 20 0 HFADMO CCOC(=O)C1=C(C[N@@H+]2CCCN(c3cccc(Cl)c3C)CC2)NC(=O)N[C@H]1C ZINC000792889071 1078017550 /nfs/dbraw/zinc/01/75/50/1078017550.db2.gz OSTDTAROMODFNT-HNNXBMFYSA-N 1 1 420.941 2.679 20 0 HFADMO CCOC(=O)C1=C(C[N@H+]2CCCN(c3cccc(Cl)c3C)CC2)NC(=O)N[C@H]1C ZINC000792889071 1078017554 /nfs/dbraw/zinc/01/75/54/1078017554.db2.gz OSTDTAROMODFNT-HNNXBMFYSA-N 1 1 420.941 2.679 20 0 HFADMO C[C@@]12CC[N@H+](CC(=O)N3CCN(Cc4cccs4)CC3)C[C@@H]1C2(Cl)Cl ZINC000792900875 1078019537 /nfs/dbraw/zinc/01/95/37/1078019537.db2.gz FIDNRFWLGHTAIZ-DOTOQJQBSA-N 1 1 402.391 2.908 20 0 HFADMO C[C@@]12CC[N@@H+](CC(=O)N3CCN(Cc4cccs4)CC3)C[C@@H]1C2(Cl)Cl ZINC000792900875 1078019542 /nfs/dbraw/zinc/01/95/42/1078019542.db2.gz FIDNRFWLGHTAIZ-DOTOQJQBSA-N 1 1 402.391 2.908 20 0 HFADMO Cc1[nH+]ccn1CCCCN1CCN(C(=O)OC(C)(C)C)C[C@H]1c1nccn1C ZINC000792909449 1078021409 /nfs/dbraw/zinc/02/14/09/1078021409.db2.gz VFLAUCKWICYRNX-SFHVURJKSA-N 1 1 402.543 2.999 20 0 HFADMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C(=O)Nc1cccc(Br)n1 ZINC000792944629 1078022971 /nfs/dbraw/zinc/02/29/71/1078022971.db2.gz AZHIWILNULUDGF-CYBMUJFWSA-N 1 1 421.295 2.719 20 0 HFADMO CN(C[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H](O)COCc1ccccc1F)C(=O)OC(C)(C)C ZINC000792916466 1078025079 /nfs/dbraw/zinc/02/50/79/1078025079.db2.gz ZNAYEJAVCWGKFJ-OKZBNKHCSA-N 1 1 414.493 2.983 20 0 HFADMO CN(C[C@@H]1C[C@H](F)C[N@H+]1C[C@@H](O)COCc1ccccc1F)C(=O)OC(C)(C)C ZINC000792916466 1078025084 /nfs/dbraw/zinc/02/50/84/1078025084.db2.gz ZNAYEJAVCWGKFJ-OKZBNKHCSA-N 1 1 414.493 2.983 20 0 HFADMO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1nnnn1C1CC1 ZINC000790436770 1078030520 /nfs/dbraw/zinc/03/05/20/1078030520.db2.gz KFSGJJFFUAYDJH-BNLOLNQZSA-N 1 1 421.908 2.854 20 0 HFADMO C[C@H](O)C[C@H]1CCCC[N@H+]1CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 ZINC000790438867 1078031419 /nfs/dbraw/zinc/03/14/19/1078031419.db2.gz NUHOZYPZXNTOEQ-ZWKOTPCHSA-N 1 1 413.518 2.798 20 0 HFADMO O=C(Nc1ccc(N2CCOC2=O)cc1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000747094543 1078036354 /nfs/dbraw/zinc/03/63/54/1078036354.db2.gz DCPJXADYMWSTAB-NQIIRXRSSA-N 1 1 424.501 2.648 20 0 HFADMO O=C(Nc1cccc(Cl)n1)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000792967444 1078037928 /nfs/dbraw/zinc/03/79/28/1078037928.db2.gz AWCBYCQJOXONLU-UHFFFAOYSA-N 1 1 408.836 2.733 20 0 HFADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792969871 1078039319 /nfs/dbraw/zinc/03/93/19/1078039319.db2.gz RZFSLBFYQKHWBT-UKRRQHHQSA-N 1 1 417.307 2.734 20 0 HFADMO COCC[S@@](=O)Cc1cccc(NC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000806274867 1079536543 /nfs/dbraw/zinc/53/65/43/1079536543.db2.gz OTLFGEOFMNSXTA-GDLZYMKVSA-N 1 1 415.559 2.930 20 0 HFADMO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc[nH]1 ZINC000806310697 1079564806 /nfs/dbraw/zinc/56/48/06/1079564806.db2.gz BOBJVUALOQXSNV-XJKSGUPXSA-N 1 1 408.424 2.601 20 0 HFADMO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc[nH]1 ZINC000806310697 1079564809 /nfs/dbraw/zinc/56/48/09/1079564809.db2.gz BOBJVUALOQXSNV-XJKSGUPXSA-N 1 1 408.424 2.601 20 0 HFADMO C[C@H]1[C@H](NC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000806293266 1079579487 /nfs/dbraw/zinc/57/94/87/1079579487.db2.gz ZKUKEUACFBWZJP-IFXJQAMLSA-N 1 1 402.445 2.866 20 0 HFADMO C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000806429226 1079673888 /nfs/dbraw/zinc/67/38/88/1079673888.db2.gz RNAPLFZNZYZCET-HBFSDRIKSA-N 1 1 406.571 2.903 20 0 HFADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000806407042 1079694367 /nfs/dbraw/zinc/69/43/67/1079694367.db2.gz YMRIAMVHAUHZOW-HSALFYBXSA-N 1 1 424.586 2.720 20 0 HFADMO C[C@@H](NC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000806473420 1079703361 /nfs/dbraw/zinc/70/33/61/1079703361.db2.gz QFJKOXJUPJHYSY-MRXNPFEDSA-N 1 1 416.547 2.645 20 0 HFADMO COCC[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)C(C)(C)C1 ZINC001130635486 1079724777 /nfs/dbraw/zinc/72/47/77/1079724777.db2.gz BZLDDAMRTHWUQM-IBGZPJMESA-N 1 1 401.551 2.534 20 0 HFADMO CCCc1ccc(N2C[C@@H](C(=O)N3CC[N@@H+](CCOC)CC3(C)C)CC2=O)cc1 ZINC001130635759 1079726261 /nfs/dbraw/zinc/72/62/61/1079726261.db2.gz OLPKHOACXVIXNB-IBGZPJMESA-N 1 1 401.551 2.561 20 0 HFADMO CC(C)[N@@H+]1CC[C@H](NC(=O)N=c2ccnc3n(C)[nH]cc2-3)[C@@H]1c1ccc(F)c(F)c1 ZINC000806493624 1079745560 /nfs/dbraw/zinc/74/55/60/1079745560.db2.gz ZZGQIPJWPSKWOG-OALUTQOASA-N 1 1 414.460 2.966 20 0 HFADMO CC(C)[N@H+]1CC[C@H](NC(=O)N=c2ccnc3n(C)[nH]cc2-3)[C@@H]1c1ccc(F)c(F)c1 ZINC000806493624 1079745566 /nfs/dbraw/zinc/74/55/66/1079745566.db2.gz ZZGQIPJWPSKWOG-OALUTQOASA-N 1 1 414.460 2.966 20 0 HFADMO Cc1nccn1-c1ccc(CNC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)cn1 ZINC000806495461 1079746385 /nfs/dbraw/zinc/74/63/85/1079746385.db2.gz QTJPNKXPGIKYSB-OAQYLSRUSA-N 1 1 404.518 2.644 20 0 HFADMO Cc1nccn1-c1ccc(CNC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)cn1 ZINC000806495461 1079746393 /nfs/dbraw/zinc/74/63/93/1079746393.db2.gz QTJPNKXPGIKYSB-OAQYLSRUSA-N 1 1 404.518 2.644 20 0 HFADMO C[N@@H+]1CCN(C(=O)NCc2cccc(N3CCOC3=O)c2)C[C@H]1Cc1ccccc1 ZINC000806504851 1079755258 /nfs/dbraw/zinc/75/52/58/1079755258.db2.gz DOMYBBMSEDXWRK-OAQYLSRUSA-N 1 1 408.502 2.712 20 0 HFADMO C[N@H+]1CCN(C(=O)NCc2cccc(N3CCOC3=O)c2)C[C@H]1Cc1ccccc1 ZINC000806504851 1079755261 /nfs/dbraw/zinc/75/52/61/1079755261.db2.gz DOMYBBMSEDXWRK-OAQYLSRUSA-N 1 1 408.502 2.712 20 0 HFADMO CCCNC(=O)OC[C@H]1CCCCN1C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000806505906 1079756432 /nfs/dbraw/zinc/75/64/32/1079756432.db2.gz CCMIPNDYKPCTRV-GOSISDBHSA-N 1 1 414.510 2.776 20 0 HFADMO COC(=O)[C@@]1(NC(=O)c2cc(Br)co2)CCC[N@H+](Cc2ccccc2)C1 ZINC001130660569 1079807836 /nfs/dbraw/zinc/80/78/36/1079807836.db2.gz IKBKQMQNLQERFL-LJQANCHMSA-N 1 1 421.291 2.980 20 0 HFADMO COC(=O)[C@@]1(NC(=O)c2cc(Br)co2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001130660569 1079807848 /nfs/dbraw/zinc/80/78/48/1079807848.db2.gz IKBKQMQNLQERFL-LJQANCHMSA-N 1 1 421.291 2.980 20 0 HFADMO CC[NH+](CC)CCN(C(=O)c1nc(S(C)(=O)=O)ncc1C)c1ccc(Cl)cc1 ZINC001130671621 1079821835 /nfs/dbraw/zinc/82/18/35/1079821835.db2.gz QKCXVMHUNFLIEK-UHFFFAOYSA-N 1 1 424.954 2.831 20 0 HFADMO O=C(NCCc1ccc(Cl)nc1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000806598569 1079840345 /nfs/dbraw/zinc/84/03/45/1079840345.db2.gz NPZLWAMFFUYDDL-UHFFFAOYSA-N 1 1 406.958 2.508 20 0 HFADMO C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(Cl)nc2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000806604461 1079845308 /nfs/dbraw/zinc/84/53/08/1079845308.db2.gz YFMLQTJKOGKSCP-SJORKVTESA-N 1 1 414.937 2.515 20 0 HFADMO C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(Cl)nc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000806604461 1079845317 /nfs/dbraw/zinc/84/53/17/1079845317.db2.gz YFMLQTJKOGKSCP-SJORKVTESA-N 1 1 414.937 2.515 20 0 HFADMO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000806619684 1079854466 /nfs/dbraw/zinc/85/44/66/1079854466.db2.gz JRAQWGJIIBQDKI-PMACEKPBSA-N 1 1 402.539 2.819 20 0 HFADMO COC[C@]1(CNC(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CCCN1C(=O)OC(C)(C)C ZINC000806651354 1079868936 /nfs/dbraw/zinc/86/89/36/1079868936.db2.gz MNUJJIQQISOPBP-IIBYNOLFSA-N 1 1 423.558 2.543 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000806738410 1079930261 /nfs/dbraw/zinc/93/02/61/1079930261.db2.gz CZDCRETXIUQSBA-JJRVBVJISA-N 1 1 402.322 2.579 20 0 HFADMO C[C@@H](NC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000806723607 1079947067 /nfs/dbraw/zinc/94/70/67/1079947067.db2.gz LRICDLYQTTXWSP-UTKZUKDTSA-N 1 1 406.530 2.835 20 0 HFADMO C[C@@H](NC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000806723607 1079947070 /nfs/dbraw/zinc/94/70/70/1079947070.db2.gz LRICDLYQTTXWSP-UTKZUKDTSA-N 1 1 406.530 2.835 20 0 HFADMO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000806726971 1079950703 /nfs/dbraw/zinc/95/07/03/1079950703.db2.gz KMPGKOTVCQKIIA-RTWAWAEBSA-N 1 1 416.566 2.813 20 0 HFADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000806729329 1079953028 /nfs/dbraw/zinc/95/30/28/1079953028.db2.gz MHCKTXVUISFBDZ-AVRDEDQJSA-N 1 1 423.557 2.557 20 0 HFADMO Cc1[nH]c2ccccc2c1C(=O)OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000805268311 1079970258 /nfs/dbraw/zinc/97/02/58/1079970258.db2.gz HMMKIAVRVDYONL-UHFFFAOYSA-N 1 1 413.518 2.784 20 0 HFADMO CC(=O)Nc1ccc(CC(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001130733064 1079971415 /nfs/dbraw/zinc/97/14/15/1079971415.db2.gz IIRFNBQUPOGJMM-XZOQPEGZSA-N 1 1 407.514 2.689 20 0 HFADMO CNC(=O)OC[C@H]1CCCCN1C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000806769260 1079988569 /nfs/dbraw/zinc/98/85/69/1079988569.db2.gz HCSRTTQORUJADK-GOSISDBHSA-N 1 1 424.586 2.720 20 0 HFADMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000806770729 1079989557 /nfs/dbraw/zinc/98/95/57/1079989557.db2.gz YXNRISZXNJQNDD-VAMGGRTRSA-N 1 1 424.586 2.720 20 0 HFADMO COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2ccc(OCCC[NH+]3CCN(C)CC3)cc2)C1 ZINC001130742356 1080006000 /nfs/dbraw/zinc/00/60/00/1080006000.db2.gz TULNEVXBVBSCSL-RBUKOAKNSA-N 1 1 417.550 2.621 20 0 HFADMO C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1ccc(OCCC[NH+]2CCN(C)CC2)cc1 ZINC001130742250 1080006178 /nfs/dbraw/zinc/00/61/78/1080006178.db2.gz PCUNWGUPKDQNHH-DENIHFKCSA-N 1 1 419.566 2.616 20 0 HFADMO COc1ccc(C)cc1N1C[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)CC1=O ZINC001130751893 1080022117 /nfs/dbraw/zinc/02/21/17/1080022117.db2.gz NWSHYGUAFLZPJL-RTWAWAEBSA-N 1 1 421.541 2.742 20 0 HFADMO COc1ccc(C)cc1N1C[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)CC1=O ZINC001130751893 1080022126 /nfs/dbraw/zinc/02/21/26/1080022126.db2.gz NWSHYGUAFLZPJL-RTWAWAEBSA-N 1 1 421.541 2.742 20 0 HFADMO COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCC[S@](=O)Cc2ccccc2)cc1 ZINC000806828474 1080042607 /nfs/dbraw/zinc/04/26/07/1080042607.db2.gz MVJQQVYIWBZFOS-NGOKVRLYSA-N 1 1 403.548 2.546 20 0 HFADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806923459 1080091457 /nfs/dbraw/zinc/09/14/57/1080091457.db2.gz KRZBEFDWRPIFHR-IBGZPJMESA-N 1 1 409.530 2.833 20 0 HFADMO CC[N@@H+](CCCNC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C1CCCCC1 ZINC001130786569 1080096996 /nfs/dbraw/zinc/09/69/96/1080096996.db2.gz PALIIGLDULJXAE-UHFFFAOYSA-N 1 1 401.551 2.934 20 0 HFADMO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000806971620 1080139537 /nfs/dbraw/zinc/13/95/37/1080139537.db2.gz POUXRSNLQVRSGU-GDBMZVCRSA-N 1 1 421.542 2.779 20 0 HFADMO C[N@@H+]1CCN(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)C[C@@H]1Cc1ccccc1 ZINC000807047323 1080200107 /nfs/dbraw/zinc/20/01/07/1080200107.db2.gz WWUJQCIYMOGLRR-VQTJNVASSA-N 1 1 416.566 2.858 20 0 HFADMO C[N@H+]1CCN(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)C[C@@H]1Cc1ccccc1 ZINC000807047323 1080200117 /nfs/dbraw/zinc/20/01/17/1080200117.db2.gz WWUJQCIYMOGLRR-VQTJNVASSA-N 1 1 416.566 2.858 20 0 HFADMO C[C@@H]1[C@H](NC(=O)NCC2CN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000807038478 1080228961 /nfs/dbraw/zinc/22/89/61/1080228961.db2.gz HRKKUAQUVHTDHP-VQIMIIECSA-N 1 1 402.539 2.816 20 0 HFADMO CC[C@H](NC(=O)c1cnc(C2OCCO2)s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000807070248 1080253146 /nfs/dbraw/zinc/25/31/46/1080253146.db2.gz SDRJCQVIFDXDOW-DLBZAZTESA-N 1 1 417.531 2.598 20 0 HFADMO CC[C@H](NC(=O)c1cnc(C2OCCO2)s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000807070248 1080253154 /nfs/dbraw/zinc/25/31/54/1080253154.db2.gz SDRJCQVIFDXDOW-DLBZAZTESA-N 1 1 417.531 2.598 20 0 HFADMO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000807113721 1080290511 /nfs/dbraw/zinc/29/05/11/1080290511.db2.gz IDLRPXHVIQWOJQ-SCWSEQNSSA-N 1 1 410.518 2.673 20 0 HFADMO C[C@@H]1C[C@H](CCNC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000807150950 1080308267 /nfs/dbraw/zinc/30/82/67/1080308267.db2.gz VLHMNBLNNQAUNZ-BPQIPLTHSA-N 1 1 411.468 2.957 20 0 HFADMO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000807189469 1080338573 /nfs/dbraw/zinc/33/85/73/1080338573.db2.gz VVWWQSQYHCMRQP-PMACEKPBSA-N 1 1 402.539 2.819 20 0 HFADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)c3ccccc3CSC3=NCCS3)C2)CC1 ZINC000747389653 1080476210 /nfs/dbraw/zinc/47/62/10/1080476210.db2.gz MGJVJMSEBMYQCZ-QGZVFWFLSA-N 1 1 418.632 2.921 20 0 HFADMO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccccc3CSC3=NCCS3)C2)CC1 ZINC000747389653 1080476213 /nfs/dbraw/zinc/47/62/13/1080476213.db2.gz MGJVJMSEBMYQCZ-QGZVFWFLSA-N 1 1 418.632 2.921 20 0 HFADMO CC(C)(O)c1cccc(NC(=O)C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000807354501 1080517237 /nfs/dbraw/zinc/51/72/37/1080517237.db2.gz CDHMCTXRGQDXAS-VWLOTQADSA-N 1 1 421.541 2.977 20 0 HFADMO CC(C)Cc1cc(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n(C)n1 ZINC000807355782 1080517640 /nfs/dbraw/zinc/51/76/40/1080517640.db2.gz YMVHNNAXLRUCRT-XMMPIXPASA-N 1 1 423.561 2.682 20 0 HFADMO CS[C@H]1CC[C@H](NC(=O)C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC000807452095 1080632303 /nfs/dbraw/zinc/63/23/03/1080632303.db2.gz OENBLOPGNUJEGV-ICSRJNTNSA-N 1 1 415.559 2.928 20 0 HFADMO CS[C@H]1CC[C@H](NC(=O)C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000807452095 1080632309 /nfs/dbraw/zinc/63/23/09/1080632309.db2.gz OENBLOPGNUJEGV-ICSRJNTNSA-N 1 1 415.559 2.928 20 0 HFADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)Cc3ccc(C)nc3Cl)n2)c1C ZINC000807438057 1080657534 /nfs/dbraw/zinc/65/75/34/1080657534.db2.gz XXQVZJKIRNKYPO-UHFFFAOYSA-N 1 1 400.870 2.885 20 0 HFADMO C[C@@H]1CCN(C(=O)C(=O)NCC[C@@](C)(O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000807496492 1080692660 /nfs/dbraw/zinc/69/26/60/1080692660.db2.gz KTLVFBUWEFVYIF-CJFMBICVSA-N 1 1 423.557 2.523 20 0 HFADMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1 ZINC000807513476 1080720307 /nfs/dbraw/zinc/72/03/07/1080720307.db2.gz CHZAJJJDCAYGSF-WZONZLPQSA-N 1 1 412.534 2.792 20 0 HFADMO CC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1C ZINC000807544564 1080761673 /nfs/dbraw/zinc/76/16/73/1080761673.db2.gz VWKLQKNYDWRFJR-IIBYNOLFSA-N 1 1 408.502 2.671 20 0 HFADMO C[C@H](Oc1cccc(Cl)c1)C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000807552019 1080768079 /nfs/dbraw/zinc/76/80/79/1080768079.db2.gz KIMYKANBEPQZJX-KRWDZBQOSA-N 1 1 416.905 2.995 20 0 HFADMO COC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)C[C@H]1c1ccc(O)cc1 ZINC001170528077 1080783912 /nfs/dbraw/zinc/78/39/12/1080783912.db2.gz YPZQATPSNDAYOV-RBUKOAKNSA-N 1 1 404.413 2.888 20 0 HFADMO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000747406054 1080792226 /nfs/dbraw/zinc/79/22/26/1080792226.db2.gz VQGSKXWTIFJMOY-MRXNPFEDSA-N 1 1 403.552 2.575 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000807555880 1080806969 /nfs/dbraw/zinc/80/69/69/1080806969.db2.gz IGPJJCBNSWKFGZ-SJORKVTESA-N 1 1 406.958 2.773 20 0 HFADMO OCC1([NH2+]Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)Cc2ccccc2C1 ZINC000512329489 1126095502 /nfs/dbraw/zinc/09/55/02/1126095502.db2.gz QHKWMOQGPQWPCD-UHFFFAOYSA-N 1 1 423.826 2.954 20 0 HFADMO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nc(-c3ccccc3F)no2)cc1OC ZINC001176596907 1126150088 /nfs/dbraw/zinc/15/00/88/1126150088.db2.gz CQCIWJLYHNTSIQ-OAQYLSRUSA-N 1 1 401.438 2.976 20 0 HFADMO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ncc(I)s1 ZINC001203281994 1126157791 /nfs/dbraw/zinc/15/77/91/1126157791.db2.gz DCMRKGKZMMAUTI-HNNXBMFYSA-N 1 1 418.300 2.840 20 0 HFADMO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@](C)(CO)Cc3ccccc3F)nc2c1 ZINC001308117844 1126163670 /nfs/dbraw/zinc/16/36/70/1126163670.db2.gz NIHGEQGLQRQYLP-FQEVSTJZSA-N 1 1 406.479 2.844 20 0 HFADMO NC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164626640 719082624 /nfs/dbraw/zinc/08/26/24/719082624.db2.gz OXLCHXJACAOBJS-KBPBESRZSA-N 1 1 406.317 2.983 20 0 HFADMO O=C([C@@H]1C[C@H]2OCC[C@@H]2N(c2nc(Cl)ccc2C[NH+]2CCCC2)C1)N1CCCC1 ZINC001164678604 719539938 /nfs/dbraw/zinc/53/99/38/719539938.db2.gz MIYXQLPQIUKCKB-CEXWTWQISA-N 1 1 418.969 2.937 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(C(=O)OCc3ccccc3)cn1)CC2 ZINC001164690216 719744888 /nfs/dbraw/zinc/74/48/88/719744888.db2.gz VLXRKBDGNBSCAX-UHFFFAOYSA-N 1 1 422.529 2.619 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccnc(CSc3ccccc3)n1)CC2 ZINC001164689339 719752659 /nfs/dbraw/zinc/75/26/59/719752659.db2.gz BOCAVGURTNITLR-UHFFFAOYSA-N 1 1 411.575 2.950 20 0 HFADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(SC)nc2sccc21 ZINC001164704633 719842235 /nfs/dbraw/zinc/84/22/35/719842235.db2.gz SERXAAODTPQIBO-BFUOFWGJSA-N 1 1 422.576 2.646 20 0 HFADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc2c(Cl)ccnc21 ZINC001164707011 719843770 /nfs/dbraw/zinc/84/37/70/719843770.db2.gz YUYCUMXRQBVJMT-VBKZILBWSA-N 1 1 404.898 2.516 20 0 HFADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1csc2ncnc(Cl)c12 ZINC001164699360 719849988 /nfs/dbraw/zinc/84/99/88/719849988.db2.gz HPYQTUFAFUORIZ-KZULUSFZSA-N 1 1 410.927 2.577 20 0 HFADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc2ncccc21 ZINC001164706913 719851605 /nfs/dbraw/zinc/85/16/05/719851605.db2.gz ZNYSENGZOJRGBC-XOBRGWDASA-N 1 1 404.898 2.516 20 0 HFADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C(F)F)nc2ccccc21 ZINC001164702281 719871776 /nfs/dbraw/zinc/87/17/76/719871776.db2.gz HXHDXVONDSNJON-SPLOXXLWSA-N 1 1 420.460 2.800 20 0 HFADMO Clc1nc2c(c(N3CCC4(CC3)CN(Cc3cccs3)CCO4)n1)CC[NH2+]C2 ZINC001164694736 719888472 /nfs/dbraw/zinc/88/84/72/719888472.db2.gz DPUHAWCFTCTEBV-UHFFFAOYSA-N 1 1 419.982 2.709 20 0 HFADMO COC(=O)c1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(F)c1 ZINC001164696050 719890854 /nfs/dbraw/zinc/89/08/54/719890854.db2.gz VOMWVSVFBHEGBT-UHFFFAOYSA-N 1 1 405.495 2.940 20 0 HFADMO COC(=O)c1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(F)c1 ZINC001164696050 719890856 /nfs/dbraw/zinc/89/08/56/719890856.db2.gz VOMWVSVFBHEGBT-UHFFFAOYSA-N 1 1 405.495 2.940 20 0 HFADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCc3nnc(Cn4cccc4)n3CC2)n1 ZINC001164710680 720089803 /nfs/dbraw/zinc/08/98/03/720089803.db2.gz LBFTXNATOOIBPT-UHFFFAOYSA-N 1 1 411.941 2.835 20 0 HFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)OC)CC2 ZINC001164709563 720103315 /nfs/dbraw/zinc/10/33/15/720103315.db2.gz AQYIDAXQWVAWPU-LJQANCHMSA-N 1 1 410.518 2.771 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc3cc(OC)c(OC)cc3n1)C2 ZINC001164807032 720108724 /nfs/dbraw/zinc/10/87/24/720108724.db2.gz ANAWYHMUBUACED-HXOBKFHXSA-N 1 1 412.534 2.832 20 0 HFADMO COCOc1ccc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164716161 720120780 /nfs/dbraw/zinc/12/07/80/720120780.db2.gz JIBMZZXWUJEWHU-FQEVSTJZSA-N 1 1 412.534 2.967 20 0 HFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-n3ccnc3)nn1)CC2 ZINC001164714559 720128193 /nfs/dbraw/zinc/12/81/93/720128193.db2.gz XGMOHPQMNMMWBR-FQEVSTJZSA-N 1 1 419.533 2.565 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccc(C(=O)OC(C)(C)C)n1)C2 ZINC001164809665 720129110 /nfs/dbraw/zinc/12/91/10/720129110.db2.gz HVSIOSIXBQSDDD-HTAPYJJXSA-N 1 1 402.539 2.617 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(OC)nc(-c3ccccc3)n1)C2 ZINC001164809630 720134206 /nfs/dbraw/zinc/13/42/06/720134206.db2.gz HSVDSCKWAGUUEG-XXBNENTESA-N 1 1 409.534 2.732 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(F)c(OC)cc31)C2 ZINC001164813894 720142035 /nfs/dbraw/zinc/14/20/35/720142035.db2.gz RMFXCFZIOKTKRA-ZHRRBRCNSA-N 1 1 400.498 2.962 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(/C=C\C(=O)OC)cc3cc[nH]c31)C2 ZINC001164818159 720151289 /nfs/dbraw/zinc/15/12/89/720151289.db2.gz RXSYIPZLAXVODS-LVVLGITISA-N 1 1 424.545 2.934 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(/C=C/C(=O)OC)cc3cc[nH]c31)C2 ZINC001164818161 720151314 /nfs/dbraw/zinc/15/13/14/720151314.db2.gz RXSYIPZLAXVODS-QINKANGISA-N 1 1 424.545 2.934 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)C2 ZINC001164815463 720201319 /nfs/dbraw/zinc/20/13/19/720201319.db2.gz ZPWFJMODFSQJJP-WMZOPIPTSA-N 1 1 401.885 2.703 20 0 HFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(Cl)nc(C3CC3)n1)CCC2 ZINC001164811936 720212499 /nfs/dbraw/zinc/21/24/99/720212499.db2.gz KKWLKMWPBHGDFE-UHFFFAOYSA-N 1 1 402.930 2.815 20 0 HFADMO CCOc1ccc2ncnc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c2c1 ZINC001164813546 720225455 /nfs/dbraw/zinc/22/54/55/720225455.db2.gz OKRRPSQLHRHXIK-UHFFFAOYSA-N 1 1 422.533 2.836 20 0 HFADMO COc1ccc2nc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)nc(C)c2c1 ZINC001164812778 720226800 /nfs/dbraw/zinc/22/68/00/720226800.db2.gz IXDZAYDNBOHOCF-UHFFFAOYSA-N 1 1 422.533 2.754 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4cccc(Cl)c4n3)C2)C1 ZINC001164719851 720237715 /nfs/dbraw/zinc/23/77/15/720237715.db2.gz PQEGVXWPTQWQHP-OAQYLSRUSA-N 1 1 402.926 2.553 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc4cccc(Cl)c4n3)C2)C1 ZINC001164719851 720237722 /nfs/dbraw/zinc/23/77/22/720237722.db2.gz PQEGVXWPTQWQHP-OAQYLSRUSA-N 1 1 402.926 2.553 20 0 HFADMO Cc1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc(-c2ccco2)n1 ZINC001164814611 720239562 /nfs/dbraw/zinc/23/95/62/720239562.db2.gz ZFOKWFWYQZMJJX-UHFFFAOYSA-N 1 1 408.506 2.852 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4ccc(Cl)c(C)c4n3)C2)C1 ZINC001164721593 720276458 /nfs/dbraw/zinc/27/64/58/720276458.db2.gz LOKVXVBWAZZFJC-QFIPXVFZSA-N 1 1 416.953 2.861 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4ccc(Cl)c(C)c4n3)C2)C1 ZINC001164721593 720276464 /nfs/dbraw/zinc/27/64/64/720276464.db2.gz LOKVXVBWAZZFJC-QFIPXVFZSA-N 1 1 416.953 2.861 20 0 HFADMO COC(=O)c1c(Cl)cnc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1OC ZINC001164727059 720424946 /nfs/dbraw/zinc/42/49/46/720424946.db2.gz CXGAJRKAIXRWHI-JKSUJKDBSA-N 1 1 402.882 2.778 20 0 HFADMO COC(=O)c1cc(F)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164834885 720512516 /nfs/dbraw/zinc/51/25/16/720512516.db2.gz HVOPCNVGXGCRRM-SZVBFZGTSA-N 1 1 401.486 2.582 20 0 HFADMO CCOC(=O)c1cc(C)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164838414 720524850 /nfs/dbraw/zinc/52/48/50/720524850.db2.gz QTHQMNBEXKVNHP-WSTZPKSXSA-N 1 1 412.538 2.536 20 0 HFADMO COC(=O)c1c[nH]c2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)ccc12 ZINC001164840069 720526360 /nfs/dbraw/zinc/52/63/60/720526360.db2.gz WGTVKXOQXUZDEA-SQGPQFPESA-N 1 1 422.533 2.924 20 0 HFADMO CCCNC(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164837156 720609559 /nfs/dbraw/zinc/60/95/59/720609559.db2.gz HHOJFJLNCBUQPB-PWRODBHTSA-N 1 1 410.566 2.796 20 0 HFADMO Clc1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(-c2ccccc2)nn1 ZINC001164741488 720698738 /nfs/dbraw/zinc/69/87/38/720698738.db2.gz TZHGERYYYDETRI-IAGOWNOFSA-N 1 1 408.893 2.929 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3c1C(C)(C)C(=O)N3)CC2 ZINC001164838391 720708632 /nfs/dbraw/zinc/70/86/32/720708632.db2.gz IXMQIQQRAMGVMG-GOSISDBHSA-N 1 1 421.545 2.966 20 0 HFADMO c1ccc(COc2cccnc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164746924 720755928 /nfs/dbraw/zinc/75/59/28/720755928.db2.gz YYPSTFKIQMCJKA-PMACEKPBSA-N 1 1 403.486 2.793 20 0 HFADMO Clc1cccc(-c2cc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)ncn2)c1 ZINC001164738947 720770175 /nfs/dbraw/zinc/77/01/75/720770175.db2.gz HAKRQQGVNUXFFK-ROUUACIJSA-N 1 1 408.893 2.929 20 0 HFADMO Fc1ccc(COc2cccnc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164740422 720778164 /nfs/dbraw/zinc/77/81/64/720778164.db2.gz LAVYIEBHFDFSSJ-VQTJNVASSA-N 1 1 421.476 2.932 20 0 HFADMO Fc1cccc(F)c1-c1ccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164738226 720780314 /nfs/dbraw/zinc/78/03/14/720780314.db2.gz FGZVOCSWLKDDHZ-CABCVRRESA-N 1 1 410.428 2.554 20 0 HFADMO Clc1nc2cc[nH]c2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164744133 720808824 /nfs/dbraw/zinc/80/88/24/720808824.db2.gz HLCDQDTUKSZGQO-BFYDXBDKSA-N 1 1 412.929 2.582 20 0 HFADMO O=C1[C@@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]2CN1Cc1ccncc1 ZINC001164855811 720811629 /nfs/dbraw/zinc/81/16/29/720811629.db2.gz YZNFOEXZSPLPKD-RTBURBONSA-N 1 1 411.937 2.821 20 0 HFADMO CCc1ncnc(Cl)c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748760 720814412 /nfs/dbraw/zinc/81/44/12/720814412.db2.gz RIZNHILDEWYTSF-JFIYKMOQSA-N 1 1 401.946 2.663 20 0 HFADMO O=C([C@@H]1CC[C@H]2[C@@H](CCN2c2nc(Cl)ccc2C[NH+]2CCCC2)O1)N1CCCO1 ZINC001164852199 720820136 /nfs/dbraw/zinc/82/01/36/720820136.db2.gz ZZKQBUCDBBUECN-KSZLIROESA-N 1 1 420.941 2.621 20 0 HFADMO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(C)c1 ZINC001164738143 720820753 /nfs/dbraw/zinc/82/07/53/720820753.db2.gz DUBKTSAVQMNNGB-PWRODBHTSA-N 1 1 424.549 2.538 20 0 HFADMO CCOC(=O)c1cc(C)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738000 720828978 /nfs/dbraw/zinc/82/89/78/720828978.db2.gz DFOHKTPZCQTQJI-SFHLNBCPSA-N 1 1 424.549 2.538 20 0 HFADMO CCOC(=O)c1cc(C)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738001 720829128 /nfs/dbraw/zinc/82/91/28/720829128.db2.gz DFOHKTPZCQTQJI-SVFBPWRDSA-N 1 1 424.549 2.538 20 0 HFADMO F[C@H](Oc1ccc(Cl)nc1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746087 720829218 /nfs/dbraw/zinc/82/92/18/720829218.db2.gz XXMQBBJIINWNGH-QXOCSCLMSA-N 1 1 420.920 2.833 20 0 HFADMO Clc1cnc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751823 720833962 /nfs/dbraw/zinc/83/39/62/720833962.db2.gz YZYUCHNJFXZTPR-KVSKMBFKSA-N 1 1 424.940 2.649 20 0 HFADMO Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C)c1Cl ZINC001164749424 720834732 /nfs/dbraw/zinc/83/47/32/720834732.db2.gz VUSLWPLIEBUVER-RCCFBDPRSA-N 1 1 401.946 2.718 20 0 HFADMO Fc1cnc2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1 ZINC001164745238 720842508 /nfs/dbraw/zinc/84/25/08/720842508.db2.gz NBFFSRRYOVTPLG-DJPFJPOOSA-N 1 1 407.497 2.740 20 0 HFADMO CCc1c(Cl)ncnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747288 720850427 /nfs/dbraw/zinc/85/04/27/720850427.db2.gz QCQZTGYIOPADEL-JFIYKMOQSA-N 1 1 401.946 2.663 20 0 HFADMO CCCSc1cncc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164741926 720850756 /nfs/dbraw/zinc/85/07/56/720850756.db2.gz FYHQKDDLORPSKP-CEXWTWQISA-N 1 1 413.595 2.950 20 0 HFADMO COc1ccnc(Cl)c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751160 720854716 /nfs/dbraw/zinc/85/47/16/720854716.db2.gz QMPGCVNHMSLMSU-GVDBMIGSSA-N 1 1 402.930 2.715 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)ncc3-c3ccccc3)CC[C@H]2C1 ZINC001164852639 720856829 /nfs/dbraw/zinc/85/68/29/720856829.db2.gz FCBWIGUMDIURIN-HKUYNNGSSA-N 1 1 402.926 2.971 20 0 HFADMO c1cc2nccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2n1 ZINC001164752982 720867419 /nfs/dbraw/zinc/86/74/19/720867419.db2.gz OAQGPLIHTXBFJU-ZJSXRUAMSA-N 1 1 418.545 2.879 20 0 HFADMO CN(C)c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164751524 720869483 /nfs/dbraw/zinc/86/94/83/720869483.db2.gz KRVKELMKNBAFPF-ZJSXRUAMSA-N 1 1 422.577 2.693 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3ccn4C(C)C)CC[C@@H]2C1 ZINC001164856039 720871309 /nfs/dbraw/zinc/87/13/09/720871309.db2.gz NXRHLGRVVKKTCL-NVXWUHKLSA-N 1 1 407.946 2.839 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3ccc(NC(=O)OC(C)(C)C)cn3)CC[C@@H]2C1 ZINC001164864462 720872137 /nfs/dbraw/zinc/87/21/37/720872137.db2.gz VWXYKBZZOMWXRD-AEFFLSMTSA-N 1 1 406.527 2.602 20 0 HFADMO CN(C)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164748035 720872735 /nfs/dbraw/zinc/87/27/35/720872735.db2.gz DMUQVXCOEWWDEW-XUZZJYLKSA-N 1 1 422.577 2.693 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccccn4)nc4ccccc43)CC[C@H]2C1 ZINC001164863747 720875186 /nfs/dbraw/zinc/87/51/86/720875186.db2.gz UBUXDNQAWMXPSG-PGRDOPGGSA-N 1 1 419.529 2.865 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(C4CC4)nnc3Cl)CC[C@H]2C1 ZINC001164853373 720877794 /nfs/dbraw/zinc/87/77/94/720877794.db2.gz CCTHBWZFDQPFAS-YOEHRIQHSA-N 1 1 416.900 2.726 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3ncccc3OCc3ccc(F)cc3)CC[C@H]2C1 ZINC001164864702 720881377 /nfs/dbraw/zinc/88/13/77/720881377.db2.gz WNCUVWTYNKNWBV-UGKGYDQZSA-N 1 1 415.509 2.973 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncccc3OCc3ccc(F)cc3)CC[C@@H]2C1 ZINC001164864695 720881496 /nfs/dbraw/zinc/88/14/96/720881496.db2.gz WNCUVWTYNKNWBV-DENIHFKCSA-N 1 1 415.509 2.973 20 0 HFADMO CCOC(=O)Cc1c(Cl)ncnc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164861268 720964784 /nfs/dbraw/zinc/96/47/84/720964784.db2.gz SGBKUSRJMIQGHZ-AWEZNQCLSA-N 1 1 420.945 2.854 20 0 HFADMO CCOC(=O)/C=C\c1cccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870634 721050192 /nfs/dbraw/zinc/05/01/92/721050192.db2.gz WLGGOHQGVJOOJY-LSORQBDOSA-N 1 1 408.502 2.533 20 0 HFADMO CCOC(=O)c1cnc(Cl)cc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164773497 721074127 /nfs/dbraw/zinc/07/41/27/721074127.db2.gz XJMRZGPHBCQVPV-JKSUJKDBSA-N 1 1 403.914 2.604 20 0 HFADMO Clc1nc2c(c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n1)SCC2 ZINC001164870615 721074388 /nfs/dbraw/zinc/07/43/88/721074388.db2.gz WKXGQVMXGXSYNW-GJZGRUSLSA-N 1 1 403.939 2.653 20 0 HFADMO CCOC(=O)c1cc(Cl)nc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1C ZINC001164771347 721128174 /nfs/dbraw/zinc/12/81/74/721128174.db2.gz SGQVHTKMCLSLEA-IAGOWNOFSA-N 1 1 417.941 2.912 20 0 HFADMO Cc1nc2c(nc(Cl)nc2N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)s1 ZINC001164762672 721146196 /nfs/dbraw/zinc/14/61/96/721146196.db2.gz DDXRAIGMXNHKLW-UONOGXRCSA-N 1 1 403.943 2.740 20 0 HFADMO COc1ccc(C(F)(F)N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1Cl ZINC001164773730 721151085 /nfs/dbraw/zinc/15/10/85/721151085.db2.gz YUXFDCKEWWSVSA-LSDHHAIUSA-N 1 1 411.884 2.980 20 0 HFADMO Fc1cccc(-c2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164876455 721156742 /nfs/dbraw/zinc/15/67/42/721156742.db2.gz MNKKMEVTEWSMAJ-UXHICEINSA-N 1 1 406.465 2.552 20 0 HFADMO c1cncc(CO[C@H]2C[C@@H]3CN(c4cncc(N5CCCCCC5)n4)CC[N@H+]3C2)c1 ZINC001164875418 721168159 /nfs/dbraw/zinc/16/81/59/721168159.db2.gz LMWKWDNDHGKGAC-RTWAWAEBSA-N 1 1 408.550 2.732 20 0 HFADMO CSc1nc2ncnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c2s1 ZINC001164765011 721170651 /nfs/dbraw/zinc/17/06/51/721170651.db2.gz HLGFGRDFHACLJZ-KBPBESRZSA-N 1 1 401.565 2.500 20 0 HFADMO c1cncc(CO[C@@H]2C[C@@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CC[N@H+]3C2)c1 ZINC001164877024 721176558 /nfs/dbraw/zinc/17/65/58/721176558.db2.gz NYRYRBCZNHKSTJ-WOJBJXKFSA-N 1 1 418.501 2.884 20 0 HFADMO COc1cc(OC)c2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164868745 721187742 /nfs/dbraw/zinc/18/77/42/721187742.db2.gz NOWDVFSZWSROHH-IEBWSBKVSA-N 1 1 421.501 2.522 20 0 HFADMO COC(=O)c1cc(Cl)c(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1C ZINC001164760506 721236529 /nfs/dbraw/zinc/23/65/29/721236529.db2.gz FIRCPDFGEVWTQT-CVEARBPZSA-N 1 1 403.914 2.522 20 0 HFADMO CCCSc1ncnc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1OC ZINC001164760285 721242503 /nfs/dbraw/zinc/24/25/03/721242503.db2.gz DGBCEXYFPIUMFN-DLBZAZTESA-N 1 1 402.568 2.679 20 0 HFADMO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)nc21 ZINC001164767989 721296345 /nfs/dbraw/zinc/29/63/45/721296345.db2.gz COAIYYWJZIITRG-UHFFFAOYSA-N 1 1 423.542 2.590 20 0 HFADMO Cc1ccc(N2CCO[C@@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)C[C@H]32)nn1 ZINC001164775169 721311478 /nfs/dbraw/zinc/31/14/78/721311478.db2.gz AOJACEPDHMOOCW-QZTJIDSGSA-N 1 1 414.941 2.523 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN([C@@H](F)Oc4ccnc(Cl)c4)C3)O2)CC1 ZINC001164886299 721398704 /nfs/dbraw/zinc/39/87/04/721398704.db2.gz DZKCLVAJQNWCGL-DFQSSKMNSA-N 1 1 412.937 2.628 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc5[nH]ccc5cc4Cl)C3)O2)CC1 ZINC001164885809 721420235 /nfs/dbraw/zinc/42/02/35/721420235.db2.gz HMVSCWMSCDJIGV-UWJYYQICSA-N 1 1 403.958 2.933 20 0 HFADMO CC1CCN(C(=O)c2ccc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)nc2)CC1 ZINC001164784820 721426095 /nfs/dbraw/zinc/42/60/95/721426095.db2.gz MNHNSFZQLWISMW-OALUTQOASA-N 1 1 411.575 2.978 20 0 HFADMO Cc1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(-c2ccccn2)n1 ZINC001164894286 721432412 /nfs/dbraw/zinc/43/24/12/721432412.db2.gz LJVJPGLAIKTOGR-RDPSFJRHSA-N 1 1 422.577 2.612 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3c1CCC3)CC2 ZINC001164784514 721452674 /nfs/dbraw/zinc/45/26/74/721452674.db2.gz FVSKJQBAISZZDJ-IBGZPJMESA-N 1 1 400.567 2.699 20 0 HFADMO CCOc1nccnc1N1CCC2(C[C@@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164788751 721469779 /nfs/dbraw/zinc/46/97/79/721469779.db2.gz JKKOLGIQGLJJOK-IBGZPJMESA-N 1 1 404.555 2.609 20 0 HFADMO COCc1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(SC)n1 ZINC001164909234 721531650 /nfs/dbraw/zinc/53/16/50/721531650.db2.gz QZJSVSQBJQJFHV-SJLPKXTDSA-N 1 1 404.511 2.826 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3ccncc32)[C@H]2CCCO[C@H]12 ZINC001164808987 721535100 /nfs/dbraw/zinc/53/51/00/721535100.db2.gz SVKFXNGAUGITIR-OTWHNJEPSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3ccncc32)[C@H]2CCCO[C@H]12 ZINC001164808987 721535105 /nfs/dbraw/zinc/53/51/05/721535105.db2.gz SVKFXNGAUGITIR-OTWHNJEPSA-N 1 1 410.909 2.941 20 0 HFADMO COc1nc2ccccc2nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164802554 721540283 /nfs/dbraw/zinc/54/02/83/721540283.db2.gz GZPIJNHEQABVPH-QHAWAJNXSA-N 1 1 405.502 2.902 20 0 HFADMO COc1nc2ccccc2nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164802554 721540287 /nfs/dbraw/zinc/54/02/87/721540287.db2.gz GZPIJNHEQABVPH-QHAWAJNXSA-N 1 1 405.502 2.902 20 0 HFADMO COC(=O)c1c[nH]c2nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)ccc12 ZINC001164810629 721543144 /nfs/dbraw/zinc/54/31/44/721543144.db2.gz XKUSSDAHVOOXDG-ZJOUEHCJSA-N 1 1 421.501 2.613 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cnccc32)[C@H]2CCCO[C@H]12 ZINC001164799866 721544132 /nfs/dbraw/zinc/54/41/32/721544132.db2.gz BKCNJVRLIUVYAV-OTWHNJEPSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cnccc32)[C@H]2CCCO[C@H]12 ZINC001164799866 721544136 /nfs/dbraw/zinc/54/41/36/721544136.db2.gz BKCNJVRLIUVYAV-OTWHNJEPSA-N 1 1 410.909 2.941 20 0 HFADMO COc1c(Cl)nc(C)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164806794 721553980 /nfs/dbraw/zinc/55/39/80/721553980.db2.gz RSVDQFZVNKMOJV-YESZJQIVSA-N 1 1 403.914 2.710 20 0 HFADMO COc1c(Cl)nc(C)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164806794 721553982 /nfs/dbraw/zinc/55/39/82/721553982.db2.gz RSVDQFZVNKMOJV-YESZJQIVSA-N 1 1 403.914 2.710 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3cccnc32)[C@H]2CCCO[C@H]12 ZINC001164803193 721555374 /nfs/dbraw/zinc/55/53/74/721555374.db2.gz JSUCWKLGPKYNOI-SCTDSRPQSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3cccnc32)[C@H]2CCCO[C@H]12 ZINC001164803193 721555376 /nfs/dbraw/zinc/55/53/76/721555376.db2.gz JSUCWKLGPKYNOI-SCTDSRPQSA-N 1 1 410.909 2.941 20 0 HFADMO COc1ccc2nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)ncc2c1 ZINC001164809414 721558084 /nfs/dbraw/zinc/55/80/84/721558084.db2.gz XDSIHAXWHZAICY-FKBYEOEOSA-N 1 1 405.502 2.902 20 0 HFADMO COc1ccc2nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)ncc2c1 ZINC001164809414 721558088 /nfs/dbraw/zinc/55/80/88/721558088.db2.gz XDSIHAXWHZAICY-FKBYEOEOSA-N 1 1 405.502 2.902 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(-c3cccnc3F)n2)[C@H]2CCCO[C@H]12 ZINC001164810689 721567866 /nfs/dbraw/zinc/56/78/66/721567866.db2.gz ZWNMQIHQJBQHPS-HBMCJLEFSA-N 1 1 420.492 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(-c3cccnc3F)n2)[C@H]2CCCO[C@H]12 ZINC001164810689 721567871 /nfs/dbraw/zinc/56/78/71/721567871.db2.gz ZWNMQIHQJBQHPS-HBMCJLEFSA-N 1 1 420.492 2.941 20 0 HFADMO COC(=O)c1cc2c[nH]c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)cc-2n1 ZINC001164809421 721571551 /nfs/dbraw/zinc/57/15/51/721571551.db2.gz XETMFEDXMCQLPF-ONTIZHBOSA-N 1 1 421.501 2.613 20 0 HFADMO COc1cccc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c21 ZINC001164802511 721580280 /nfs/dbraw/zinc/58/02/80/721580280.db2.gz GGFSMSFFFUKPBA-CNNODRBYSA-N 1 1 405.502 2.902 20 0 HFADMO COc1cccc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c21 ZINC001164802511 721580282 /nfs/dbraw/zinc/58/02/82/721580282.db2.gz GGFSMSFFFUKPBA-CNNODRBYSA-N 1 1 405.502 2.902 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccccn3)ncn2)[C@H]2CCCO[C@H]12 ZINC001164806148 721580638 /nfs/dbraw/zinc/58/06/38/721580638.db2.gz MBUMKELIKHPRKB-XJUOHMSHSA-N 1 1 402.502 2.802 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccccn3)ncn2)[C@H]2CCCO[C@H]12 ZINC001164806148 721580640 /nfs/dbraw/zinc/58/06/40/721580640.db2.gz MBUMKELIKHPRKB-XJUOHMSHSA-N 1 1 402.502 2.802 20 0 HFADMO CN(Cc1cccnc1)[C@H]1CN(c2ccc(C[N@H+](C)C3CC3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164812241 721582781 /nfs/dbraw/zinc/58/27/81/721582781.db2.gz ZRBSUOZLEQKNED-WPFOTENUSA-N 1 1 407.562 2.939 20 0 HFADMO CN(Cc1cccnc1)[C@H]1CN(c2ccc(C[N@@H+](C)C3CC3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164812241 721582784 /nfs/dbraw/zinc/58/27/84/721582784.db2.gz ZRBSUOZLEQKNED-WPFOTENUSA-N 1 1 407.562 2.939 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN([C@H](F)Oc2cncc(Cl)n2)[C@@H]2CCCO[C@H]12 ZINC001164803410 721587873 /nfs/dbraw/zinc/58/78/73/721587873.db2.gz HZGUEJQVVUDRQT-LTDCPUDJSA-N 1 1 407.877 2.521 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN([C@H](F)Oc2cncc(Cl)n2)[C@@H]2CCCO[C@H]12 ZINC001164803410 721587874 /nfs/dbraw/zinc/58/78/74/721587874.db2.gz HZGUEJQVVUDRQT-LTDCPUDJSA-N 1 1 407.877 2.521 20 0 HFADMO C[C@H]1C(=O)Nc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c21 ZINC001164905680 721709597 /nfs/dbraw/zinc/70/95/97/721709597.db2.gz IJXWJGHLAAVYNG-JLTOFOAXSA-N 1 1 414.460 2.665 20 0 HFADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)Oc2ccc(Cl)nc2)CC1 ZINC001165011946 721734564 /nfs/dbraw/zinc/73/45/64/721734564.db2.gz YPULURXSKHTDSD-UHFFFAOYSA-N 1 1 402.873 2.683 20 0 HFADMO Cc1cc(C(N)=O)cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912784 721735628 /nfs/dbraw/zinc/73/56/28/721735628.db2.gz QBQOLHFIRLEPQT-HXUWFJFHSA-N 1 1 401.461 2.622 20 0 HFADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2nc(Cl)ccc2F)CC1 ZINC001165010122 721736627 /nfs/dbraw/zinc/73/66/27/721736627.db2.gz BCVBORLPYQOFPC-UHFFFAOYSA-N 1 1 404.864 2.942 20 0 HFADMO CN(Cc1ccco1)Cc1cncc2c1CCN(c1[nH+]ccc3c1NC(=O)CO3)C2 ZINC001164910744 721755000 /nfs/dbraw/zinc/75/50/00/721755000.db2.gz RCCFRIMJZKICDZ-UHFFFAOYSA-N 1 1 405.458 2.595 20 0 HFADMO CN1CCN(c2cccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)n2)CC1 ZINC001165025900 721817548 /nfs/dbraw/zinc/81/75/48/721817548.db2.gz ODNWZCDBFWMQMM-WWNPGLIZSA-N 1 1 420.605 2.965 20 0 HFADMO CN1CCN(c2cccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)n2)CC1 ZINC001165025900 721817550 /nfs/dbraw/zinc/81/75/50/721817550.db2.gz ODNWZCDBFWMQMM-WWNPGLIZSA-N 1 1 420.605 2.965 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C(=O)NC4CC4)nn3)C[C@@H]21 ZINC001165030198 721827294 /nfs/dbraw/zinc/82/72/94/721827294.db2.gz YTQALYIZMJZERE-NBHGPNQESA-N 1 1 406.534 2.501 20 0 HFADMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1cc(C(=O)N2CCCCC2)cc(Cl)n1 ZINC001164923596 721853934 /nfs/dbraw/zinc/85/39/34/721853934.db2.gz AXLJZKGWQBLEHG-MSOLQXFVSA-N 1 1 405.974 2.576 20 0 HFADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1cc(C(=O)N2CCCCC2)cc(Cl)n1 ZINC001164923596 721853935 /nfs/dbraw/zinc/85/39/35/721853935.db2.gz AXLJZKGWQBLEHG-MSOLQXFVSA-N 1 1 405.974 2.576 20 0 HFADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ncnc2c1ccn2Cc1cccc(F)c1 ZINC001164927934 721866448 /nfs/dbraw/zinc/86/64/48/721866448.db2.gz XGQQDMDARFNSOH-NHCUHLMSSA-N 1 1 408.525 2.833 20 0 HFADMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ncnc2c1ccn2Cc1cccc(F)c1 ZINC001164927934 721866451 /nfs/dbraw/zinc/86/64/51/721866451.db2.gz XGQQDMDARFNSOH-NHCUHLMSSA-N 1 1 408.525 2.833 20 0 HFADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ncc(NC(=O)OC(C)(C)C)c2nc[nH]c21 ZINC001164926007 721876474 /nfs/dbraw/zinc/87/64/74/721876474.db2.gz PUQFOLFHQUHXJN-CVEARBPZSA-N 1 1 415.542 2.520 20 0 HFADMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ncc(NC(=O)OC(C)(C)C)c2nc[nH]c21 ZINC001164926007 721876475 /nfs/dbraw/zinc/87/64/75/721876475.db2.gz PUQFOLFHQUHXJN-CVEARBPZSA-N 1 1 415.542 2.520 20 0 HFADMO CC(C)n1ccc2c1nc[nH+]c2N1CCC2(CC1)COCCN2Cc1ccn(C)n1 ZINC001164935790 721907433 /nfs/dbraw/zinc/90/74/33/721907433.db2.gz IRCUZWFCVSQQPM-UHFFFAOYSA-N 1 1 409.538 2.617 20 0 HFADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCN(C(N)=O)CC4)c32)C1 ZINC001165041861 721941094 /nfs/dbraw/zinc/94/10/94/721941094.db2.gz HAVCQBKIDXPODV-CQSZACIVSA-N 1 1 414.579 2.613 20 0 HFADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3ncccc31)CC2 ZINC001164945002 721970938 /nfs/dbraw/zinc/97/09/38/721970938.db2.gz MLJYFHBYTNYUGK-UHFFFAOYSA-N 1 1 422.920 2.649 20 0 HFADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3ncccc31)CC2 ZINC001164945002 721970939 /nfs/dbraw/zinc/97/09/39/721970939.db2.gz MLJYFHBYTNYUGK-UHFFFAOYSA-N 1 1 422.920 2.649 20 0 HFADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3cnccc31)CC2 ZINC001164945816 721972042 /nfs/dbraw/zinc/97/20/42/721972042.db2.gz SNRACUHVNWLTOJ-UHFFFAOYSA-N 1 1 422.920 2.649 20 0 HFADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3cnccc31)CC2 ZINC001164945816 721972043 /nfs/dbraw/zinc/97/20/43/721972043.db2.gz SNRACUHVNWLTOJ-UHFFFAOYSA-N 1 1 422.920 2.649 20 0 HFADMO COC(=O)Cc1c(Cl)ncnc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164952066 722015995 /nfs/dbraw/zinc/01/59/95/722015995.db2.gz GSJGYPSXKGFNPM-UHFFFAOYSA-N 1 1 415.925 2.733 20 0 HFADMO COC(=O)c1nc2cnccc2c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955293 722018709 /nfs/dbraw/zinc/01/87/09/722018709.db2.gz DMJNFHYMCZELQC-UHFFFAOYSA-N 1 1 418.501 2.699 20 0 HFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4[C@H]3CCN4C(=O)c3cscn3)c2)CC1 ZINC001164966324 722065498 /nfs/dbraw/zinc/06/54/98/722065498.db2.gz QVAGEIWKLWZGCR-RTBURBONSA-N 1 1 413.547 2.505 20 0 HFADMO Clc1nc2c(ncn2Cc2ccccc2)c(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164968038 722070378 /nfs/dbraw/zinc/07/03/78/722070378.db2.gz YWOBQIBJDBWFAH-HDICACEKSA-N 1 1 424.936 2.827 20 0 HFADMO O=C(NC1CCCC1)c1cnc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c(Cl)c1 ZINC001164967446 722075764 /nfs/dbraw/zinc/07/57/64/722075764.db2.gz QIYVEJOYGVIWPZ-HDICACEKSA-N 1 1 404.942 2.707 20 0 HFADMO O=C(Nc1cccnc1Cl)OCC(F)(F)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967372 722077116 /nfs/dbraw/zinc/07/71/16/722077116.db2.gz BYPJGMBEJQJYBQ-OKILXGFUSA-N 1 1 416.856 2.671 20 0 HFADMO O=C(Nc1cccnc1Cl)OCC(F)(F)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967372 722077118 /nfs/dbraw/zinc/07/71/18/722077118.db2.gz BYPJGMBEJQJYBQ-OKILXGFUSA-N 1 1 416.856 2.671 20 0 HFADMO FC(F)(c1cc(Cl)ncn1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978225 722099107 /nfs/dbraw/zinc/09/91/07/722099107.db2.gz GGPDFVPBPVEUQB-HOTGVXAUSA-N 1 1 409.868 2.797 20 0 HFADMO CCOC(=O)c1cc(F)cnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980732 722104606 /nfs/dbraw/zinc/10/46/06/722104606.db2.gz KBVYDDJJDIFGSP-FXAWDEMLSA-N 1 1 414.481 2.520 20 0 HFADMO CCOC(=O)c1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(C)c1 ZINC001164981822 722108763 /nfs/dbraw/zinc/10/87/63/722108763.db2.gz VGFWTRAIIUSVPE-CTNGQTDRSA-N 1 1 410.518 2.689 20 0 HFADMO Clc1nc2c(c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CSC2 ZINC001164982734 722108794 /nfs/dbraw/zinc/10/87/94/722108794.db2.gz XUTALWWDVLBPBJ-QAPCUYQASA-N 1 1 417.966 2.999 20 0 HFADMO CSc1nc(Cl)ncc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973311 722117085 /nfs/dbraw/zinc/11/70/85/722117085.db2.gz GZOIQFXOOPRKLX-RDJZCZTQSA-N 1 1 405.955 2.974 20 0 HFADMO F[C@H](Oc1ccc(Cl)nc1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972485 722118663 /nfs/dbraw/zinc/11/86/63/722118663.db2.gz FRHWDUZJBQCDHZ-QRFRQXIXSA-N 1 1 406.889 2.985 20 0 HFADMO FC(F)(c1cncc(Cl)n1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978863 722133743 /nfs/dbraw/zinc/13/37/43/722133743.db2.gz KBQKMFIQDIMGNI-HOTGVXAUSA-N 1 1 409.868 2.797 20 0 HFADMO CC1CCN(c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)CC1 ZINC001164972811 722142692 /nfs/dbraw/zinc/14/26/92/722142692.db2.gz APSQIFURBVNKHI-YADHBBJMSA-N 1 1 422.577 2.835 20 0 HFADMO CC1CCN(c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)CC1 ZINC001164972805 722142753 /nfs/dbraw/zinc/14/27/53/722142753.db2.gz APSQIFURBVNKHI-FGZHOGPDSA-N 1 1 422.577 2.835 20 0 HFADMO Cc1noc(-c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2)n1 ZINC001164979577 722145260 /nfs/dbraw/zinc/14/52/60/722145260.db2.gz LGECFDPDBKHJKS-WOJBJXKFSA-N 1 1 406.490 2.562 20 0 HFADMO [O-][n+]1ccc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1Cl ZINC001164976216 722157507 /nfs/dbraw/zinc/15/75/07/722157507.db2.gz UZTNZMUTTUAHGS-SJLPKXTDSA-N 1 1 424.879 2.641 20 0 HFADMO C[NH+]1CCN(c2nccc(N3CCC[C@@]4(C[C@H](OCC5CCCC5)CO4)C3)n2)CC1 ZINC001164979103 722166261 /nfs/dbraw/zinc/16/62/61/722166261.db2.gz UHAFISBBOILDMU-NZQKXSOJSA-N 1 1 415.582 2.563 20 0 HFADMO Fc1cccc(CN2CC[C@]23CCCN(c2ccc(OC4CC[NH2+]CC4)nn2)C3)c1 ZINC001164995928 722208314 /nfs/dbraw/zinc/20/83/14/722208314.db2.gz PYZNSYZUECXTHI-QHCPKHFHSA-N 1 1 411.525 2.991 20 0 HFADMO CC(C)NC(=O)[C@@H]1C[C@@H]2OCCN(c3nc(Cl)ccc3C[NH+]3CCCC3)[C@H]2C1 ZINC001164995587 722215043 /nfs/dbraw/zinc/21/50/43/722215043.db2.gz JWHRVQIJBKDJSY-BZSNNMDCSA-N 1 1 406.958 2.839 20 0 HFADMO COc1ccc2c(C)cc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nc2c1 ZINC001164997257 722235558 /nfs/dbraw/zinc/23/55/58/722235558.db2.gz OUYORVJJMQBTEX-UHFFFAOYSA-N 1 1 418.545 2.699 20 0 HFADMO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)cc1 ZINC000790529982 1078051714 /nfs/dbraw/zinc/05/17/14/1078051714.db2.gz OYPIJWNRURAFHH-UHFFFAOYSA-N 1 1 418.950 2.961 20 0 HFADMO C[C@]1(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793037470 1078053565 /nfs/dbraw/zinc/05/35/65/1078053565.db2.gz HAOLNPSPVMPFBQ-KNQAVFIVSA-N 1 1 400.523 2.571 20 0 HFADMO CC(C)(C)OC(=O)NCCC[N@@H+](C[C@H](O)CC1(O)CCOCC1)CC1CCCC1 ZINC001170139620 1078055901 /nfs/dbraw/zinc/05/59/01/1078055901.db2.gz LMQNBHAOPDSVTO-LJQANCHMSA-N 1 1 414.587 2.686 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000790577161 1078067023 /nfs/dbraw/zinc/06/70/23/1078067023.db2.gz RTGVTJGLXGKEQF-QGZVFWFLSA-N 1 1 413.971 2.730 20 0 HFADMO Cc1cc(CNC(=O)C=CC(=O)Nc2ccc3n[nH]cc3c2)cc(N2CCCC2)[nH+]1 ZINC000793226618 1078101481 /nfs/dbraw/zinc/10/14/81/1078101481.db2.gz VKMBXHUBWZBWDB-VOTSOKGWSA-N 1 1 404.474 2.678 20 0 HFADMO COc1cc(C(=O)OC[C@H]2C[N@H+](C(C)C)CCO2)cc(Br)c1OC ZINC000793205811 1078105248 /nfs/dbraw/zinc/10/52/48/1078105248.db2.gz QYYSPVSOWPGFMW-CYBMUJFWSA-N 1 1 402.285 2.732 20 0 HFADMO COCC1(CNC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000790770394 1078111178 /nfs/dbraw/zinc/11/11/78/1078111178.db2.gz QSTUMVVYLCPWJC-IRXDYDNUSA-N 1 1 424.586 2.575 20 0 HFADMO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cc(Br)ncc1F ZINC000790756185 1078111663 /nfs/dbraw/zinc/11/16/63/1078111663.db2.gz DPUJSTVLFONKNL-LLVKDONJSA-N 1 1 417.300 2.600 20 0 HFADMO COCC1(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793273710 1078116039 /nfs/dbraw/zinc/11/60/39/1078116039.db2.gz QGFBMUXUTOXQIW-SFHVURJKSA-N 1 1 411.587 2.887 20 0 HFADMO C[C@@H](NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1nnnn1C1CC1 ZINC000790726651 1078117111 /nfs/dbraw/zinc/11/71/11/1078117111.db2.gz IIIQOCHGKJJBNS-QGZVFWFLSA-N 1 1 409.538 2.767 20 0 HFADMO CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cc1 ZINC000747113435 1078138391 /nfs/dbraw/zinc/13/83/91/1078138391.db2.gz WYQWMUNWMHTYNI-GOSISDBHSA-N 1 1 405.539 2.938 20 0 HFADMO COc1ccc([C@@H]2C[C@H]2NC(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)cc1 ZINC000793382687 1078161136 /nfs/dbraw/zinc/16/11/36/1078161136.db2.gz KQMJGXBQKGDSPM-XZOQPEGZSA-N 1 1 424.545 2.880 20 0 HFADMO COc1ccc([C@@H]2C[C@H]2NC(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000793383526 1078161679 /nfs/dbraw/zinc/16/16/79/1078161679.db2.gz OYYDHVKSGTUICC-GKJHBJHPSA-N 1 1 400.567 2.751 20 0 HFADMO CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000790876800 1078168789 /nfs/dbraw/zinc/16/87/89/1078168789.db2.gz KHTGJTAJZUNILB-GOSISDBHSA-N 1 1 403.523 2.899 20 0 HFADMO Cc1nc(SC(F)F)sc1CC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000793461533 1078179621 /nfs/dbraw/zinc/17/96/21/1078179621.db2.gz MZWBWELAAYEUFH-CQSZACIVSA-N 1 1 418.579 2.937 20 0 HFADMO C[N@@H+]1CCN(C(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C[C@@H]1Cc1ccccc1 ZINC000793506834 1078193547 /nfs/dbraw/zinc/19/35/47/1078193547.db2.gz VTAOXHREBPMJFR-DLBZAZTESA-N 1 1 411.493 2.920 20 0 HFADMO C[N@H+]1CCN(C(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C[C@@H]1Cc1ccccc1 ZINC000793506834 1078193549 /nfs/dbraw/zinc/19/35/49/1078193549.db2.gz VTAOXHREBPMJFR-DLBZAZTESA-N 1 1 411.493 2.920 20 0 HFADMO C[N@@H+]1CCN(C(=O)C[C@@H](c2ccccc2)N2CCOC2=O)C[C@H]1Cc1ccccc1 ZINC000793507147 1078193557 /nfs/dbraw/zinc/19/35/57/1078193557.db2.gz XQFWCSBPIXGGAZ-YADHBBJMSA-N 1 1 407.514 2.955 20 0 HFADMO C[N@H+]1CCN(C(=O)C[C@@H](c2ccccc2)N2CCOC2=O)C[C@H]1Cc1ccccc1 ZINC000793507147 1078193559 /nfs/dbraw/zinc/19/35/59/1078193559.db2.gz XQFWCSBPIXGGAZ-YADHBBJMSA-N 1 1 407.514 2.955 20 0 HFADMO CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)NCc2c[nH+]c3n2CCCC3)C1(C)C ZINC000793501959 1078204141 /nfs/dbraw/zinc/20/41/41/1078204141.db2.gz YDRUIJAQKGVRIM-OPAMFIHVSA-N 1 1 420.554 2.934 20 0 HFADMO COc1cc(C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)cnc1Br ZINC000793503471 1078204961 /nfs/dbraw/zinc/20/49/61/1078204961.db2.gz FJQMUBCJHWTAKC-INIZCTEOSA-N 1 1 404.308 2.852 20 0 HFADMO COc1cc(C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)cnc1Br ZINC000793503471 1078204963 /nfs/dbraw/zinc/20/49/63/1078204963.db2.gz FJQMUBCJHWTAKC-INIZCTEOSA-N 1 1 404.308 2.852 20 0 HFADMO C[C@]12CCN(CN3C(=O)N[C@@]4(CCC[N@@H+](Cc5ccccc5)C4)C3=O)C[C@H]1C2(F)F ZINC000793536312 1078206309 /nfs/dbraw/zinc/20/63/09/1078206309.db2.gz YMTNLILKKVAFRG-JRGCBEDISA-N 1 1 418.488 2.508 20 0 HFADMO CCOC(=O)NCC(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000793596657 1078219293 /nfs/dbraw/zinc/21/92/93/1078219293.db2.gz WRROKDOKHPEVFJ-MRXNPFEDSA-N 1 1 401.429 2.646 20 0 HFADMO C[NH+]1CCC(CNC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)(N2CCCCC2)CC1 ZINC000793573879 1078225697 /nfs/dbraw/zinc/22/56/97/1078225697.db2.gz BJJHZDPAFBAZSP-GOSISDBHSA-N 1 1 422.614 2.698 20 0 HFADMO C[C@@H](O)c1ccc(CNC(=O)C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000793630321 1078233246 /nfs/dbraw/zinc/23/32/46/1078233246.db2.gz KPTSCQHJSCIJTB-RBUKOAKNSA-N 1 1 415.578 2.859 20 0 HFADMO CCC[C@@H]1CN(C(=O)C(=O)NCc2ccc([C@@H](C)O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000793645293 1078239675 /nfs/dbraw/zinc/23/96/75/1078239675.db2.gz ALRJRRAYMIUNFR-AUSIDOKSSA-N 1 1 423.557 2.869 20 0 HFADMO CCC[C@@H]1CN(C(=O)C(=O)NCc2ccc([C@@H](C)O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000793645293 1078239677 /nfs/dbraw/zinc/23/96/77/1078239677.db2.gz ALRJRRAYMIUNFR-AUSIDOKSSA-N 1 1 423.557 2.869 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000793684403 1078254169 /nfs/dbraw/zinc/25/41/69/1078254169.db2.gz AMYRHPRDNWUBNW-WOIUINJBSA-N 1 1 409.530 2.597 20 0 HFADMO C[C@@H](COc1ccccc1)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000793684110 1078254582 /nfs/dbraw/zinc/25/45/82/1078254582.db2.gz SOQOSFGMGLDMKT-FPOVZHCZSA-N 1 1 409.530 2.599 20 0 HFADMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000793686064 1078256123 /nfs/dbraw/zinc/25/61/23/1078256123.db2.gz CZVLFNNIPFBBET-MJUUVYJYSA-N 1 1 422.529 2.521 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C(=O)C4(CCC4)[C@@H]3[C@H]3CCCO3)CC[C@H]21 ZINC000793711729 1078260745 /nfs/dbraw/zinc/26/07/45/1078260745.db2.gz XKNQDHSXCUBKLW-MKXGPGLRSA-N 1 1 419.566 2.835 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C(=O)C4(CCC4)[C@@H]3[C@H]3CCCO3)CC[C@H]21 ZINC000793711729 1078260750 /nfs/dbraw/zinc/26/07/50/1078260750.db2.gz XKNQDHSXCUBKLW-MKXGPGLRSA-N 1 1 419.566 2.835 20 0 HFADMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1Cn1nc2cnccn2c1=O ZINC000793726790 1078268345 /nfs/dbraw/zinc/26/83/45/1078268345.db2.gz ZBXNTQAAKGZNMK-OAQYLSRUSA-N 1 1 408.550 2.514 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000793719851 1078264880 /nfs/dbraw/zinc/26/48/80/1078264880.db2.gz DKKBTRAXSXMMFJ-XJKSGUPXSA-N 1 1 416.526 2.598 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000793692486 1078270063 /nfs/dbraw/zinc/27/00/63/1078270063.db2.gz ZNTBAFYKAGJGDF-HLIPFELVSA-N 1 1 415.559 2.831 20 0 HFADMO C[C@@H](COc1ccccc1)NC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000793694323 1078270295 /nfs/dbraw/zinc/27/02/95/1078270295.db2.gz HEWMAUINDJISHD-ZWKOTPCHSA-N 1 1 415.559 2.660 20 0 HFADMO C[C@@]1(c2ccc(F)cc2Cl)NC(=O)N(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)C1=O ZINC000793742946 1078287945 /nfs/dbraw/zinc/28/79/45/1078287945.db2.gz NJRYVOUGSKXDDJ-XOBRGWDASA-N 1 1 409.889 2.952 20 0 HFADMO C[C@@]1(c2ccc(F)cc2Cl)NC(=O)N(C[N@H+]2CCOC[C@@H](C3CCC3)C2)C1=O ZINC000793742946 1078287947 /nfs/dbraw/zinc/28/79/47/1078287947.db2.gz NJRYVOUGSKXDDJ-XOBRGWDASA-N 1 1 409.889 2.952 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)N2CCCCO2)C1 ZINC001170436730 1078281106 /nfs/dbraw/zinc/28/11/06/1078281106.db2.gz KJJSBFYOPJNTIF-ZVVDCOBXSA-N 1 1 416.518 2.627 20 0 HFADMO CCCN(CCNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C)C(=O)OC(C)(C)C ZINC000793729760 1078283754 /nfs/dbraw/zinc/28/37/54/1078283754.db2.gz ACAXWKZMGTVMBC-UHFFFAOYSA-N 1 1 404.515 2.600 20 0 HFADMO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793798888 1078301701 /nfs/dbraw/zinc/30/17/01/1078301701.db2.gz MKTIZAIUCGUWFJ-CJFMBICVSA-N 1 1 423.557 2.907 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000793804004 1078303780 /nfs/dbraw/zinc/30/37/80/1078303780.db2.gz DBRZVAYZNXVMTI-HXUWFJFHSA-N 1 1 421.476 2.565 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC[C@@H]1c1cccc(C)c1 ZINC000793804129 1078304179 /nfs/dbraw/zinc/30/41/79/1078304179.db2.gz CNZWQDATLDVCBM-HXUWFJFHSA-N 1 1 403.486 2.864 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000793790818 1078298109 /nfs/dbraw/zinc/29/81/09/1078298109.db2.gz NYBIYSUPRAWQNE-FHWLQOOXSA-N 1 1 401.551 2.648 20 0 HFADMO C[N@H+]1CC[C@@]2(CCN(CN3C(=O)N[C@](Cc4ccccc4)(c4ccccc4)C3=O)C2)C1 ZINC000793771026 1078307043 /nfs/dbraw/zinc/30/70/43/1078307043.db2.gz ZVCWELJOFMXTGY-JWQCQUIFSA-N 1 1 418.541 2.662 20 0 HFADMO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793777067 1078308798 /nfs/dbraw/zinc/30/87/98/1078308798.db2.gz DCYGHTVEDOXQSB-TZIWHRDSSA-N 1 1 409.530 2.611 20 0 HFADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCc2ccccc2OC1 ZINC000793839377 1078311024 /nfs/dbraw/zinc/31/10/24/1078311024.db2.gz CVPNVWCIJLLFLK-UNMCSNQZSA-N 1 1 421.541 2.525 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NCc1cccc(OCC(C)C)c1 ZINC000793810213 1078313904 /nfs/dbraw/zinc/31/39/04/1078313904.db2.gz ROKZZDONFIQKHO-UHFFFAOYSA-N 1 1 421.501 2.543 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)Cc1ccc(F)c(Cl)c1 ZINC000793811144 1078314285 /nfs/dbraw/zinc/31/42/85/1078314285.db2.gz XDIXECIOLILHEX-UHFFFAOYSA-N 1 1 415.856 2.643 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NCC1(c2ccccc2Cl)CC1 ZINC000793811534 1078314382 /nfs/dbraw/zinc/31/43/82/1078314382.db2.gz XNQYBWFPHPBQCF-UHFFFAOYSA-N 1 1 423.904 2.693 20 0 HFADMO Cc1csc([C@@](O)(CC(=O)N2CCC(n3c[nH+]cc3C)CC2)C(F)(F)F)n1 ZINC000793847902 1078315670 /nfs/dbraw/zinc/31/56/70/1078315670.db2.gz LPBXOUYCYSLSEB-INIZCTEOSA-N 1 1 402.442 2.960 20 0 HFADMO C[C@@H]1CN(C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CC[N@@H+]1CCO ZINC000793886193 1078321948 /nfs/dbraw/zinc/32/19/48/1078321948.db2.gz RCHMHHSQDJDQNF-MRXNPFEDSA-N 1 1 403.523 2.513 20 0 HFADMO C[C@@H]1CN(C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CC[N@H+]1CCO ZINC000793886193 1078321952 /nfs/dbraw/zinc/32/19/52/1078321952.db2.gz RCHMHHSQDJDQNF-MRXNPFEDSA-N 1 1 403.523 2.513 20 0 HFADMO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000793863603 1078326644 /nfs/dbraw/zinc/32/66/44/1078326644.db2.gz IYJNXBJEVDPPOU-JENIJYKNSA-N 1 1 415.559 2.639 20 0 HFADMO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000793863603 1078326648 /nfs/dbraw/zinc/32/66/48/1078326648.db2.gz IYJNXBJEVDPPOU-JENIJYKNSA-N 1 1 415.559 2.639 20 0 HFADMO Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000793872927 1078330213 /nfs/dbraw/zinc/33/02/13/1078330213.db2.gz DSOKTHZUZSNSIK-IAGOWNOFSA-N 1 1 400.475 2.507 20 0 HFADMO Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000793872927 1078330218 /nfs/dbraw/zinc/33/02/18/1078330218.db2.gz DSOKTHZUZSNSIK-IAGOWNOFSA-N 1 1 400.475 2.507 20 0 HFADMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000793873862 1078330688 /nfs/dbraw/zinc/33/06/88/1078330688.db2.gz IUXZQMPGYQCIRG-CVEARBPZSA-N 1 1 403.523 2.511 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000793873862 1078330693 /nfs/dbraw/zinc/33/06/93/1078330693.db2.gz IUXZQMPGYQCIRG-CVEARBPZSA-N 1 1 403.523 2.511 20 0 HFADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(Cl)nc2)C1 ZINC000793931370 1078341141 /nfs/dbraw/zinc/34/11/41/1078341141.db2.gz NIAREJMYPBZDGD-CRAIPNDOSA-N 1 1 400.910 2.645 20 0 HFADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000793905010 1078334075 /nfs/dbraw/zinc/33/40/75/1078334075.db2.gz ZCQXTOYEDCTNGF-LQWHRVPQSA-N 1 1 401.551 2.507 20 0 HFADMO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)CCC2 ZINC000793910381 1078335437 /nfs/dbraw/zinc/33/54/37/1078335437.db2.gz JRGJJQAPHXAYKP-FUHWJXTLSA-N 1 1 403.571 2.584 20 0 HFADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)C1 ZINC000793912647 1078335914 /nfs/dbraw/zinc/33/59/14/1078335914.db2.gz ZXAOPTLSSUQIGG-KURKYZTESA-N 1 1 421.607 2.789 20 0 HFADMO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000793932437 1078341768 /nfs/dbraw/zinc/34/17/68/1078341768.db2.gz UANZSGKKTGMLAK-PMOQBDJRSA-N 1 1 423.557 2.829 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000793930203 1078340970 /nfs/dbraw/zinc/34/09/70/1078340970.db2.gz JQHLGZKFRANIFO-GHTZIAJQSA-N 1 1 408.546 2.711 20 0 HFADMO C[C@@H](NC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000793900106 1078343884 /nfs/dbraw/zinc/34/38/84/1078343884.db2.gz FJDCBQOXHPIVRO-QLFBSQMISA-N 1 1 415.456 2.999 20 0 HFADMO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NC2CCN(c3[nH+]ccn3C)CC2)C1 ZINC000793950702 1078345048 /nfs/dbraw/zinc/34/50/48/1078345048.db2.gz BJMKYRWRXPMYSY-WBVHZDCISA-N 1 1 405.543 2.541 20 0 HFADMO CN(C(=O)C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000793952606 1078345712 /nfs/dbraw/zinc/34/57/12/1078345712.db2.gz SQZZUMDBFGKBRS-SESVDKBCSA-N 1 1 420.642 2.582 20 0 HFADMO CN(C(=O)C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000793952606 1078345715 /nfs/dbraw/zinc/34/57/15/1078345715.db2.gz SQZZUMDBFGKBRS-SESVDKBCSA-N 1 1 420.642 2.582 20 0 HFADMO Cn1cc[nH+]c1N1CCC(NC(=O)C2(NC(=O)OC(C)(C)C)CCCCC2)CC1 ZINC000793952351 1078345766 /nfs/dbraw/zinc/34/57/66/1078345766.db2.gz MEZXEPKDBXQUGD-UHFFFAOYSA-N 1 1 405.543 2.733 20 0 HFADMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000793960923 1078348110 /nfs/dbraw/zinc/34/81/10/1078348110.db2.gz WJGIBBVUJREZJQ-MOPGFXCFSA-N 1 1 409.615 2.772 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1Cc2ccnn2C[C@@H](C(=O)N2CCCC2)C1 ZINC001170440480 1078350156 /nfs/dbraw/zinc/35/01/56/1078350156.db2.gz CSEWYDQQLHUEGA-OALUTQOASA-N 1 1 410.518 2.687 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1Cc2ccnn2C[C@@H](C(=O)N2CCCC2)C1 ZINC001170440480 1078350159 /nfs/dbraw/zinc/35/01/59/1078350159.db2.gz CSEWYDQQLHUEGA-OALUTQOASA-N 1 1 410.518 2.687 20 0 HFADMO Cn1cc[nH+]c1N1CCC(NC(=O)CCCCNC(=O)OCc2ccccc2)CC1 ZINC000793946309 1078354917 /nfs/dbraw/zinc/35/49/17/1078354917.db2.gz HTYPEBLXLPCXRQ-UHFFFAOYSA-N 1 1 413.522 2.602 20 0 HFADMO CCNC(=O)N(C)c1cccc(NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)c1 ZINC000794114384 1078374047 /nfs/dbraw/zinc/37/40/47/1078374047.db2.gz TYQBXMXXJJBRRE-UHFFFAOYSA-N 1 1 409.534 2.852 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001170443957 1078392010 /nfs/dbraw/zinc/39/20/10/1078392010.db2.gz SATLEKJWJASPPC-AUSIDOKSSA-N 1 1 410.518 2.898 20 0 HFADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H](C)c3ccc4c(c3)OCO4)cc2)CC1 ZINC000794255646 1078392933 /nfs/dbraw/zinc/39/29/33/1078392933.db2.gz SSRQOMLTZGQBTN-MRXNPFEDSA-N 1 1 409.486 2.935 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H]2COC[C@]2(CC(=O)NCC2CC2)C1 ZINC001170445169 1078403601 /nfs/dbraw/zinc/40/36/01/1078403601.db2.gz WAWVDAQGVRDDTP-MSYCTHLASA-N 1 1 400.519 2.601 20 0 HFADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N(CCO)Cc3cccnc3Cl)cc2)C[C@@H](C)O1 ZINC000794320424 1078412936 /nfs/dbraw/zinc/41/29/36/1078412936.db2.gz HMGMMWDRNDUBSA-IAGOWNOFSA-N 1 1 417.937 2.979 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000794381983 1078432051 /nfs/dbraw/zinc/43/20/51/1078432051.db2.gz FYYUIGWEHUXESQ-HNNXBMFYSA-N 1 1 401.548 2.593 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000794381983 1078432054 /nfs/dbraw/zinc/43/20/54/1078432054.db2.gz FYYUIGWEHUXESQ-HNNXBMFYSA-N 1 1 401.548 2.593 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000794383733 1078432758 /nfs/dbraw/zinc/43/27/58/1078432758.db2.gz PMHANTNPYSUJRX-OALUTQOASA-N 1 1 405.539 2.547 20 0 HFADMO CC[N@@H+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)[C@H](C)C1 ZINC000804382175 1078440935 /nfs/dbraw/zinc/44/09/35/1078440935.db2.gz XGNXXNANBLDPCV-OAHLLOKOSA-N 1 1 413.971 2.681 20 0 HFADMO CC[N@H+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)[C@H](C)C1 ZINC000804382175 1078440937 /nfs/dbraw/zinc/44/09/37/1078440937.db2.gz XGNXXNANBLDPCV-OAHLLOKOSA-N 1 1 413.971 2.681 20 0 HFADMO CC[N@H+]1CCN(C(=O)C[C@@](O)(c2nc3ccccc3s2)C(F)(F)F)[C@H](C)C1 ZINC000804379262 1078454728 /nfs/dbraw/zinc/45/47/28/1078454728.db2.gz ITKXSNGDEFMLKU-SJKOYZFVSA-N 1 1 401.454 2.989 20 0 HFADMO CN(Cc1cc(Br)cs1)C(=O)CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001170451458 1078492726 /nfs/dbraw/zinc/49/27/26/1078492726.db2.gz KDBCNEMGRNENKD-QGZVFWFLSA-N 1 1 400.386 2.887 20 0 HFADMO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC001170451656 1078496652 /nfs/dbraw/zinc/49/66/52/1078496652.db2.gz MHZNQWBZHZLKTQ-JZXOWHBKSA-N 1 1 405.539 2.560 20 0 HFADMO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC001170451656 1078496656 /nfs/dbraw/zinc/49/66/56/1078496656.db2.gz MHZNQWBZHZLKTQ-JZXOWHBKSA-N 1 1 405.539 2.560 20 0 HFADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc2ncc(Br)cn2n1 ZINC001129508366 1078500570 /nfs/dbraw/zinc/50/05/70/1078500570.db2.gz UDHDCHMVNYDEIM-CYBMUJFWSA-N 1 1 402.296 2.742 20 0 HFADMO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000804443271 1078508488 /nfs/dbraw/zinc/50/84/88/1078508488.db2.gz WNEUJRWJJLUWOO-UHFFFAOYSA-N 1 1 417.369 2.801 20 0 HFADMO CCc1nn(C)c(Cl)c1C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804446614 1078513216 /nfs/dbraw/zinc/51/32/16/1078513216.db2.gz LSIJIIWYQGXEQX-SFHVURJKSA-N 1 1 415.969 2.668 20 0 HFADMO COc1ccc(/C=C\C(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1O ZINC000804448898 1078516349 /nfs/dbraw/zinc/51/63/49/1078516349.db2.gz RDJYZLRYJBEIDN-XGEAVTJYSA-N 1 1 421.541 2.833 20 0 HFADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)C1 ZINC001129801899 1078525944 /nfs/dbraw/zinc/52/59/44/1078525944.db2.gz SOFCYGSJCWPEMB-HNNXBMFYSA-N 1 1 406.577 2.869 20 0 HFADMO Cc1ccc([C@H](O)[C@H](C)NC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000804474628 1078534932 /nfs/dbraw/zinc/53/49/32/1078534932.db2.gz DFLKAUCSFXWEEB-OXJNMPFZSA-N 1 1 405.539 2.522 20 0 HFADMO O=C(CCc1cccc(OC2CCCC2)c1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001129555410 1078545887 /nfs/dbraw/zinc/54/58/87/1078545887.db2.gz MAUGPOROGHEZSN-UHFFFAOYSA-N 1 1 416.562 2.938 20 0 HFADMO Cc1cc(CNC(=O)c2ccc(I)cn2)cc(N2CCCC2)[nH+]1 ZINC001129544537 1078555168 /nfs/dbraw/zinc/55/51/68/1078555168.db2.gz RMYJYCXKLYLPFQ-UHFFFAOYSA-N 1 1 422.270 2.920 20 0 HFADMO CCC(=O)c1ccc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(S(N)(=O)=O)c1 ZINC000804527986 1078566432 /nfs/dbraw/zinc/56/64/32/1078566432.db2.gz WIMOTESAUOFOIY-GOSISDBHSA-N 1 1 415.559 2.885 20 0 HFADMO CS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000804535180 1078582803 /nfs/dbraw/zinc/58/28/03/1078582803.db2.gz ISJPXWMCRZQEJP-JOCHJYFZSA-N 1 1 416.518 2.967 20 0 HFADMO COc1ccc(S(=O)(=O)CCC(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1 ZINC001129585098 1078583701 /nfs/dbraw/zinc/58/37/01/1078583701.db2.gz OMWZINPQNZNLOK-UHFFFAOYSA-N 1 1 410.561 2.511 20 0 HFADMO COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001129933637 1078598876 /nfs/dbraw/zinc/59/88/76/1078598876.db2.gz YFHHLSJBUKRANH-QUCCMNQESA-N 1 1 423.513 2.588 20 0 HFADMO COc1cc(NC(=O)[C@H]2C[C@@H]2C)c(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000804564768 1078599590 /nfs/dbraw/zinc/59/95/90/1078599590.db2.gz MSHSBQBADQAJOL-REOARJMMSA-N 1 1 415.534 2.996 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000804779091 1078604553 /nfs/dbraw/zinc/60/45/53/1078604553.db2.gz QICTZDIFSKHISS-KRWDZBQOSA-N 1 1 411.543 2.605 20 0 HFADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000804780713 1078605269 /nfs/dbraw/zinc/60/52/69/1078605269.db2.gz FMFVGKWTTFNHMC-OAHLLOKOSA-N 1 1 405.495 2.743 20 0 HFADMO O=C(Nc1ccc(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)s1)Nc1ccccc1 ZINC000747214715 1078634338 /nfs/dbraw/zinc/63/43/38/1078634338.db2.gz AQXRGNIPXRPLFN-HOTGVXAUSA-N 1 1 400.504 2.985 20 0 HFADMO COC(=O)c1cnc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1C(F)(F)F ZINC000804578829 1078636135 /nfs/dbraw/zinc/63/61/35/1078636135.db2.gz LBUHHVCNJMRQRR-YIONKMFJSA-N 1 1 412.456 2.634 20 0 HFADMO Cc1noc(-c2ccc(N3CCN([C@@H]4CC[N@@H+](Cc5ccccc5)C4)CC3)nc2)n1 ZINC000804808772 1078636920 /nfs/dbraw/zinc/63/69/20/1078636920.db2.gz YOKCNQOLLLDNIS-OAQYLSRUSA-N 1 1 404.518 2.837 20 0 HFADMO CC(C)(C)OC(=O)N1CCN([C@H]2CCN(c3cc[nH+]cc3Br)C2)CC1 ZINC000804833562 1078673982 /nfs/dbraw/zinc/67/39/82/1078673982.db2.gz ALUIFODUIGGNNK-AWEZNQCLSA-N 1 1 411.344 2.976 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000804833135 1078674255 /nfs/dbraw/zinc/67/42/55/1078674255.db2.gz HVEYXVRQXJYKTR-VWLOTQADSA-N 1 1 422.573 2.930 20 0 HFADMO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2ccc(Cl)nc2)CC[N@H+]1Cc1ccccc1 ZINC000804643011 1078695978 /nfs/dbraw/zinc/69/59/78/1078695978.db2.gz CEVSZZWYQVDYDC-LPHOPBHVSA-N 1 1 414.937 2.863 20 0 HFADMO Cc1cccc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1S(C)(=O)=O ZINC001129759299 1078703427 /nfs/dbraw/zinc/70/34/27/1078703427.db2.gz IXKNUFAMJOUPEG-ROUUACIJSA-N 1 1 418.563 2.585 20 0 HFADMO Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC000804647652 1078704438 /nfs/dbraw/zinc/70/44/38/1078704438.db2.gz ZASNVPAIKJUUGI-GOSISDBHSA-N 1 1 424.383 2.873 20 0 HFADMO COC(=O)C1(N(C(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)C2CC2)CCC1 ZINC001130005023 1078782723 /nfs/dbraw/zinc/78/27/23/1078782723.db2.gz MVEVZCYUIJOKHV-IRXDYDNUSA-N 1 1 400.519 2.996 20 0 HFADMO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000804926679 1078782790 /nfs/dbraw/zinc/78/27/90/1078782790.db2.gz NKSMDZFWIYYMFT-UXHICEINSA-N 1 1 402.539 2.809 20 0 HFADMO COC(=O)N1CCC[C@@H](NC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000805051230 1078865393 /nfs/dbraw/zinc/86/53/93/1078865393.db2.gz UFMMWUJLUGQHHP-KNQAVFIVSA-N 1 1 400.523 2.525 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Cl)c(I)c1 ZINC000747229008 1078887863 /nfs/dbraw/zinc/88/78/63/1078887863.db2.gz IHDDTOHVGMWPDN-NWDGAFQWSA-N 1 1 420.678 2.538 20 0 HFADMO CC(C)Oc1ccc([C@@H](CNS(=O)(=O)c2cccc3c2COC3=O)[NH+](C)C)cc1 ZINC000805134744 1078931505 /nfs/dbraw/zinc/93/15/05/1078931505.db2.gz HVVXFAGCHCEEML-LJQANCHMSA-N 1 1 418.515 2.725 20 0 HFADMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC001130097612 1078947645 /nfs/dbraw/zinc/94/76/45/1078947645.db2.gz BITVCTCGHRTUBG-KRWDZBQOSA-N 1 1 403.910 2.747 20 0 HFADMO Cc1c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cnn1-c1ccc(Br)cc1 ZINC000747231430 1078966754 /nfs/dbraw/zinc/96/67/54/1078966754.db2.gz KNFFVISDISQQDT-IAGOWNOFSA-N 1 1 419.323 2.536 20 0 HFADMO CCN(CCc1ccccn1)C(=O)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000805195946 1078969985 /nfs/dbraw/zinc/96/99/85/1078969985.db2.gz HENGMCQAVNKXCR-XMMPIXPASA-N 1 1 408.546 2.644 20 0 HFADMO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)no1 ZINC000805197544 1078971010 /nfs/dbraw/zinc/97/10/10/1078971010.db2.gz FWCLAWUPEQQOJK-REWPJTCUSA-N 1 1 410.518 2.817 20 0 HFADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)[C@@H]2COc3ccccc3C2)CC1 ZINC000805246410 1078983064 /nfs/dbraw/zinc/98/30/64/1078983064.db2.gz XPAJVVLQJVPDNF-RXVVDRJESA-N 1 1 408.498 2.686 20 0 HFADMO CCOc1cc(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1OCc1cccnc1 ZINC000747236397 1078994099 /nfs/dbraw/zinc/99/40/99/1078994099.db2.gz MJDLIPPKUGEKLK-UXHICEINSA-N 1 1 411.502 2.652 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000747236100 1078995190 /nfs/dbraw/zinc/99/51/90/1078995190.db2.gz AEZSFODOBXJUOK-VSRDTVRMSA-N 1 1 406.479 2.593 20 0 HFADMO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000805257668 1079000651 /nfs/dbraw/zinc/00/06/51/1079000651.db2.gz BTKIAZKMTHJHQS-RDTXWAMCSA-N 1 1 401.429 2.644 20 0 HFADMO Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747235337 1079009081 /nfs/dbraw/zinc/00/90/81/1079009081.db2.gz CNDQPPRTRXZXKW-CVEARBPZSA-N 1 1 402.520 2.572 20 0 HFADMO CC[C@@H]1CN(C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)S1(=O)=O ZINC000805437011 1079063725 /nfs/dbraw/zinc/06/37/25/1079063725.db2.gz FTUGRGYREZRZFB-FBBABVLZSA-N 1 1 407.580 2.506 20 0 HFADMO COC(=O)N1CCC(CNC(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000805436989 1079063900 /nfs/dbraw/zinc/06/39/00/1079063900.db2.gz FILGMVDNLXCFIJ-JOCHJYFZSA-N 1 1 402.539 2.676 20 0 HFADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2nc(-c3cccnc3Cl)ns2)cn1 ZINC001130206202 1079083801 /nfs/dbraw/zinc/08/38/01/1079083801.db2.gz JPRHULVDJHXMBT-TZMCWYRMSA-N 1 1 417.926 2.661 20 0 HFADMO COC(=O)/C=C\c1ccc(S(=O)(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000747247828 1079110624 /nfs/dbraw/zinc/11/06/24/1079110624.db2.gz PJZALZNGTKKEAD-CSAPWXOBSA-N 1 1 408.564 2.909 20 0 HFADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2ccccc2SCc2cc(C)no2)CC1 ZINC000805529629 1079122213 /nfs/dbraw/zinc/12/22/13/1079122213.db2.gz DPNAIRXZFZIDSD-INIZCTEOSA-N 1 1 417.531 2.985 20 0 HFADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)O[C@@H](C)c2nccn2-c2ccccc2)CC1=O ZINC000805542078 1079131002 /nfs/dbraw/zinc/13/10/02/1079131002.db2.gz DXPJADOJCBPKLU-NLWGTHIKSA-N 1 1 410.518 2.809 20 0 HFADMO CC(C)N(C(=O)Cn1cnc2sccc2c1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001130256815 1079145629 /nfs/dbraw/zinc/14/56/29/1079145629.db2.gz DWKYUMOOZSBUCC-GOSISDBHSA-N 1 1 410.543 2.970 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000747254176 1079168011 /nfs/dbraw/zinc/16/80/11/1079168011.db2.gz NWCRYJISRHJCRZ-XVPDJRTQSA-N 1 1 414.527 2.987 20 0 HFADMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCc2ccccc2N(C)CC)C1 ZINC000805636534 1079189726 /nfs/dbraw/zinc/18/97/26/1079189726.db2.gz UFYXVXNQQBMQRT-SFHVURJKSA-N 1 1 402.583 2.776 20 0 HFADMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001130301196 1079192750 /nfs/dbraw/zinc/19/27/50/1079192750.db2.gz IUORDHOGNKMVKI-QGPMSJSTSA-N 1 1 420.351 2.935 20 0 HFADMO COc1ccc(-n2cnnc2SCC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC001130301637 1079193760 /nfs/dbraw/zinc/19/37/60/1079193760.db2.gz SKNUCRRZLJQKTR-ZWKOTPCHSA-N 1 1 401.536 2.501 20 0 HFADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)Cc2c3ccc(C)cc3oc2C(C)=O)CC1 ZINC000805663203 1079209255 /nfs/dbraw/zinc/20/92/55/1079209255.db2.gz MSQRBUZKLLPRMS-INIZCTEOSA-N 1 1 400.475 2.582 20 0 HFADMO Cc1ccc(CC(=O)O[C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)n1 ZINC000805666955 1079210912 /nfs/dbraw/zinc/21/09/12/1079210912.db2.gz YYBNUTOLYACDME-VQIMIIECSA-N 1 1 415.921 2.908 20 0 HFADMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805749950 1079230366 /nfs/dbraw/zinc/23/03/66/1079230366.db2.gz VJFJCJUEHYQSQG-IEBWSBKVSA-N 1 1 402.539 2.934 20 0 HFADMO C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+]3CC[C@@H](Oc4ccncc4)C3)cc2)C[C@@H](C)O1 ZINC000805753398 1079231184 /nfs/dbraw/zinc/23/11/84/1079231184.db2.gz BSSYVMJCQXINTQ-JBYIUTFZSA-N 1 1 410.518 2.787 20 0 HFADMO C[C@@H]1CN(c2ccc(NC(=O)C[N@H+]3CC[C@@H](Oc4ccncc4)C3)cc2)C[C@@H](C)O1 ZINC000805753398 1079231193 /nfs/dbraw/zinc/23/11/93/1079231193.db2.gz BSSYVMJCQXINTQ-JBYIUTFZSA-N 1 1 410.518 2.787 20 0 HFADMO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000805754022 1079232082 /nfs/dbraw/zinc/23/20/82/1079232082.db2.gz VSKKDAZZUPYDJZ-UHFFFAOYSA-N 1 1 423.554 2.865 20 0 HFADMO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000805754022 1079232089 /nfs/dbraw/zinc/23/20/89/1079232089.db2.gz VSKKDAZZUPYDJZ-UHFFFAOYSA-N 1 1 423.554 2.865 20 0 HFADMO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000805774491 1079247044 /nfs/dbraw/zinc/24/70/44/1079247044.db2.gz LRKFPVFWNRPFBS-INIZCTEOSA-N 1 1 418.563 2.946 20 0 HFADMO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000805774491 1079247048 /nfs/dbraw/zinc/24/70/48/1079247048.db2.gz LRKFPVFWNRPFBS-INIZCTEOSA-N 1 1 418.563 2.946 20 0 HFADMO COc1cccc(NC(=O)CC[N@@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000805788077 1079255709 /nfs/dbraw/zinc/25/57/09/1079255709.db2.gz GVEPMBBPYTVBIJ-DCGLDWPTSA-N 1 1 401.429 2.801 20 0 HFADMO COc1cccc(NC(=O)CC[N@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000805788077 1079255716 /nfs/dbraw/zinc/25/57/16/1079255716.db2.gz GVEPMBBPYTVBIJ-DCGLDWPTSA-N 1 1 401.429 2.801 20 0 HFADMO Cn1cc(N2CCC[C@H]([N@@H+]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2=O)cn1 ZINC000805794118 1079259123 /nfs/dbraw/zinc/25/91/23/1079259123.db2.gz QPYHOQHUTTXAOO-AVRDEDQJSA-N 1 1 417.554 2.639 20 0 HFADMO Cn1cc(N2CCC[C@H]([N@H+]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2=O)cn1 ZINC000805794118 1079259125 /nfs/dbraw/zinc/25/91/25/1079259125.db2.gz QPYHOQHUTTXAOO-AVRDEDQJSA-N 1 1 417.554 2.639 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCc1nnnn1-c1ccccc1)C2 ZINC000805793877 1079259877 /nfs/dbraw/zinc/25/98/77/1079259877.db2.gz OHEKOYGOHWUKPP-JOCHJYFZSA-N 1 1 412.538 2.928 20 0 HFADMO CC(C)(CNC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805761713 1079262627 /nfs/dbraw/zinc/26/26/27/1079262627.db2.gz FKPAWGQVZCMPJZ-XMMPIXPASA-N 1 1 408.546 2.504 20 0 HFADMO COC(=O)N1CCC(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000805832361 1079271839 /nfs/dbraw/zinc/27/18/39/1079271839.db2.gz WACBOKHVOPSNOO-FUHWJXTLSA-N 1 1 408.568 2.909 20 0 HFADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN(C)CC(F)(F)Br)CC1 ZINC000805835371 1079274396 /nfs/dbraw/zinc/27/43/96/1079274396.db2.gz NJVQNLONCVDOOY-CQSZACIVSA-N 1 1 404.299 2.811 20 0 HFADMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001130370446 1079269904 /nfs/dbraw/zinc/26/99/04/1079269904.db2.gz OLWYKSSIXFLEQP-GUDVDZBRSA-N 1 1 421.607 2.733 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)ccc1F ZINC000747270579 1079277740 /nfs/dbraw/zinc/27/77/40/1079277740.db2.gz LXHFNVLKSPBSPE-CVEARBPZSA-N 1 1 412.527 2.887 20 0 HFADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)NCCn2cc(Br)cn2)CC1 ZINC000805839123 1079277754 /nfs/dbraw/zinc/27/77/54/1079277754.db2.gz DGNLZGCVLSTUSI-UHFFFAOYSA-N 1 1 420.355 2.872 20 0 HFADMO CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCCC[C@@H]2COC(=O)NC)cc1 ZINC000805825650 1079295631 /nfs/dbraw/zinc/29/56/31/1079295631.db2.gz BESMDXUMVSGOGQ-UYAOXDASSA-N 1 1 403.523 2.959 20 0 HFADMO CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCCC[C@@H]2COC(=O)NC)cc1 ZINC000805825650 1079295634 /nfs/dbraw/zinc/29/56/34/1079295634.db2.gz BESMDXUMVSGOGQ-UYAOXDASSA-N 1 1 403.523 2.959 20 0 HFADMO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000805820562 1079292133 /nfs/dbraw/zinc/29/21/33/1079292133.db2.gz QOSBBUXLWXMXFZ-IRXDYDNUSA-N 1 1 407.580 2.531 20 0 HFADMO NS(=O)(=O)c1ccc(CC[N@H+]2CCCC[C@H]2COC(=O)NC2CCCCC2)cc1 ZINC000805827405 1079297702 /nfs/dbraw/zinc/29/77/02/1079297702.db2.gz QZVDQHPWKHIWTJ-IBGZPJMESA-N 1 1 423.579 2.790 20 0 HFADMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)OCCNC(=O)c1ccncc1 ZINC000805862453 1079309274 /nfs/dbraw/zinc/30/92/74/1079309274.db2.gz XGYYXNLYRROERS-GOSISDBHSA-N 1 1 411.502 2.922 20 0 HFADMO O=C1OCCN1CC[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001170491807 1079332966 /nfs/dbraw/zinc/33/29/66/1079332966.db2.gz ZBEPEIBFNUOXJF-AWEZNQCLSA-N 1 1 400.260 2.608 20 0 HFADMO C[C@H]1C[NH+](Cc2ccc(C(=O)OCCOc3ccccc3C(N)=O)cc2)C[C@H](C)O1 ZINC000805881438 1079334712 /nfs/dbraw/zinc/33/47/12/1079334712.db2.gz XNYMTVVBDBIQHC-IRXDYDNUSA-N 1 1 412.486 2.631 20 0 HFADMO COC(=O)N1CCC(COC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000805939268 1079342707 /nfs/dbraw/zinc/34/27/07/1079342707.db2.gz DOXUUVPOZKFOIO-IRXDYDNUSA-N 1 1 404.507 2.931 20 0 HFADMO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)CCC2 ZINC000805940544 1079343663 /nfs/dbraw/zinc/34/36/63/1079343663.db2.gz STGMLMGMVQUMJH-XLIONFOSSA-N 1 1 411.550 2.594 20 0 HFADMO COC(=O)c1ccc(F)c(S(=O)(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000747284012 1079355502 /nfs/dbraw/zinc/35/55/02/1079355502.db2.gz MGZCNQYMMHDBQV-MRXNPFEDSA-N 1 1 414.886 2.847 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cc1 ZINC000747284154 1079384189 /nfs/dbraw/zinc/38/41/89/1079384189.db2.gz XHUGPYUKDRGXLB-XEDBTPMOSA-N 1 1 414.527 2.768 20 0 HFADMO C[C@H](CNC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130472214 1079398457 /nfs/dbraw/zinc/39/84/57/1079398457.db2.gz NOAKXTQXDFTKKR-FTEYMNFISA-N 1 1 419.566 2.941 20 0 HFADMO C[C@H](CNC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130472214 1079398462 /nfs/dbraw/zinc/39/84/62/1079398462.db2.gz NOAKXTQXDFTKKR-FTEYMNFISA-N 1 1 419.566 2.941 20 0 HFADMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(Br)cc1-n1cncn1 ZINC001130519840 1079451592 /nfs/dbraw/zinc/45/15/92/1079451592.db2.gz XVQUEZRQRDYINF-CVEARBPZSA-N 1 1 404.312 2.777 20 0 HFADMO CCOC(=O)CC(C)(C)CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001130529666 1079466171 /nfs/dbraw/zinc/46/61/71/1079466171.db2.gz XIVSETQPSDXLFR-WOJBJXKFSA-N 1 1 402.535 2.858 20 0 HFADMO O=C(Nc1ccc(-n2nccn2)nc1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000806212403 1079497090 /nfs/dbraw/zinc/49/70/90/1079497090.db2.gz PDVGYJPGAWJPSR-JOCHJYFZSA-N 1 1 403.490 2.792 20 0 HFADMO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000787332485 1076745179 /nfs/dbraw/zinc/74/51/79/1076745179.db2.gz LNDJXQIMLBDQKC-LNLFQRSKSA-N 1 1 424.586 2.527 20 0 HFADMO C[NH+](C)CC1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC1 ZINC000787349359 1076790820 /nfs/dbraw/zinc/79/08/20/1076790820.db2.gz JIZRXXVXKFZHNU-INIZCTEOSA-N 1 1 405.543 2.548 20 0 HFADMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787435128 1076822561 /nfs/dbraw/zinc/82/25/61/1076822561.db2.gz YUYSOBYIDSFDLD-SJORKVTESA-N 1 1 419.570 2.842 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(C)[C@@H](C)Cc2ccc(C)cc2)cn1 ZINC000787488420 1076823142 /nfs/dbraw/zinc/82/31/42/1076823142.db2.gz XDOWGVTVRZSSLY-KRWDZBQOSA-N 1 1 405.502 2.590 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(C)CCCCc2ccccc2)cn1 ZINC000787492329 1076824950 /nfs/dbraw/zinc/82/49/50/1076824950.db2.gz UZUBUKAJZXYWQN-UHFFFAOYSA-N 1 1 405.502 2.673 20 0 HFADMO C[C@H](NC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)C1=CC[N@@H+](C)CC1 ZINC000787511917 1076830878 /nfs/dbraw/zinc/83/08/78/1076830878.db2.gz ZYEGEJGAGIOXBQ-HOCLYGCPSA-N 1 1 403.527 2.514 20 0 HFADMO CCCOc1ccc(CNC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)c(C)c1 ZINC000787478437 1076838332 /nfs/dbraw/zinc/83/83/32/1076838332.db2.gz OTVXCKVKXFERGV-UHFFFAOYSA-N 1 1 421.501 2.606 20 0 HFADMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C[C@H]1C ZINC000787483242 1076840212 /nfs/dbraw/zinc/84/02/12/1076840212.db2.gz PCGCKDANSCBFOA-PMPSAXMXSA-N 1 1 405.543 2.689 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)cn1 ZINC000787481433 1076840290 /nfs/dbraw/zinc/84/02/90/1076840290.db2.gz NBVJDXAWRLTVMN-NHCUHLMSSA-N 1 1 417.513 2.720 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H](C)c2ccc3ncsc3c2)cn1 ZINC000787483971 1076841239 /nfs/dbraw/zinc/84/12/39/1076841239.db2.gz CKOXHXPPWFDAPW-CYBMUJFWSA-N 1 1 420.498 2.679 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@H]2CCc2ccccc2)cn1 ZINC000787483886 1076841834 /nfs/dbraw/zinc/84/18/34/1076841834.db2.gz AHRUEXQOAHKLND-NRFANRHFSA-N 1 1 417.513 2.816 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(Cc2ccc(F)cc2)C2CC2)cn1 ZINC000787485024 1076842829 /nfs/dbraw/zinc/84/28/29/1076842829.db2.gz HNWXVLQEPGKBRB-UHFFFAOYSA-N 1 1 407.449 2.522 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)cn1 ZINC000787485530 1076843445 /nfs/dbraw/zinc/84/34/45/1076843445.db2.gz KNCUXAOQCSIOCN-INIZCTEOSA-N 1 1 421.501 2.857 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H](Cc2ccc(F)cc2)C(C)C)cn1 ZINC000787485803 1076843460 /nfs/dbraw/zinc/84/34/60/1076843460.db2.gz QHLXIWISTVCLNU-HXUWFJFHSA-N 1 1 423.492 2.715 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NC[C@@H](c2ccccc2)C(C)C)cn1 ZINC000787485416 1076843471 /nfs/dbraw/zinc/84/34/71/1076843471.db2.gz IZWUDGPNCNRZJY-HXUWFJFHSA-N 1 1 405.502 2.748 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(C)Cc2cc3ccccc3o2)cn1 ZINC000787485392 1076843510 /nfs/dbraw/zinc/84/35/10/1076843510.db2.gz IWAWTYZPARZIJU-UHFFFAOYSA-N 1 1 403.442 2.597 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC(C)(C)[C@H]2c2ccccc2)cn1 ZINC000787485844 1076843519 /nfs/dbraw/zinc/84/35/19/1076843519.db2.gz MOQAIKBNJCZYHE-HXUWFJFHSA-N 1 1 403.486 2.802 20 0 HFADMO CCCN(Cc1ccc(C)cc1)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000787488154 1076844387 /nfs/dbraw/zinc/84/43/87/1076844387.db2.gz FAUFHSVDBVNWRB-UHFFFAOYSA-N 1 1 405.502 2.939 20 0 HFADMO COc1c(F)cc(Br)cc1S(=O)(=O)N(C)CCCn1cc[nH+]c1C ZINC000746691322 1076860357 /nfs/dbraw/zinc/86/03/57/1076860357.db2.gz WCKYHSKWUFKWTK-UHFFFAOYSA-N 1 1 420.304 2.813 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000787573535 1076868848 /nfs/dbraw/zinc/86/88/48/1076868848.db2.gz RKBAQFSZJCRUQM-UHFFFAOYSA-N 1 1 403.567 2.673 20 0 HFADMO COC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)c1Cl ZINC001170075543 1076876942 /nfs/dbraw/zinc/87/69/42/1076876942.db2.gz SCHBMWPJUARCCI-HZPDHXFCSA-N 1 1 410.898 2.996 20 0 HFADMO COC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)c1Cl ZINC001170075543 1076876944 /nfs/dbraw/zinc/87/69/44/1076876944.db2.gz SCHBMWPJUARCCI-HZPDHXFCSA-N 1 1 410.898 2.996 20 0 HFADMO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000787629020 1076883499 /nfs/dbraw/zinc/88/34/99/1076883499.db2.gz WMRTYVXLQMOGEH-UHFFFAOYSA-N 1 1 414.937 2.647 20 0 HFADMO COc1cc(/C=C/C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccc1OCc1c(C)noc1C ZINC000787631541 1076884946 /nfs/dbraw/zinc/88/49/46/1076884946.db2.gz UKWWCDUCMKKKFF-ATMNSAGYSA-N 1 1 411.502 2.912 20 0 HFADMO CN(c1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1F)C1CCCCC1 ZINC000787598417 1076887405 /nfs/dbraw/zinc/88/74/05/1076887405.db2.gz MKOQCAFLBGHODQ-IYBDPMFKSA-N 1 1 402.514 2.553 20 0 HFADMO Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)cc2)c1 ZINC000787636995 1076891045 /nfs/dbraw/zinc/89/10/45/1076891045.db2.gz CRDJJKSTAPHRIR-KDURUIRLSA-N 1 1 414.527 2.705 20 0 HFADMO C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1)c1ccsc1 ZINC000787636916 1076891219 /nfs/dbraw/zinc/89/12/19/1076891219.db2.gz JFPHGZBGPKJPFE-UXHICEINSA-N 1 1 415.559 2.751 20 0 HFADMO C[C@@H](CNC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)N(C)c1ccccc1 ZINC000787638462 1076892151 /nfs/dbraw/zinc/89/21/51/1076892151.db2.gz MOUZHQBOBVYXIR-NBGIEHNGSA-N 1 1 422.573 2.656 20 0 HFADMO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H](O)c3cc(F)cc(Cl)c3)c2C1 ZINC000787659122 1076901464 /nfs/dbraw/zinc/90/14/64/1076901464.db2.gz XGGDEYDGMVHNBB-LJQANCHMSA-N 1 1 419.884 2.993 20 0 HFADMO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H](O)c3cc(F)cc(Cl)c3)c2C1 ZINC000787659122 1076901466 /nfs/dbraw/zinc/90/14/66/1076901466.db2.gz XGGDEYDGMVHNBB-LJQANCHMSA-N 1 1 419.884 2.993 20 0 HFADMO COCCN(CCOC)C1CC[NH+](CC[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC001170076046 1076903995 /nfs/dbraw/zinc/90/39/95/1076903995.db2.gz XZNDIXAYFCYNSN-FQEVSTJZSA-N 1 1 407.580 2.549 20 0 HFADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccoc1COc1ccc(C=O)cc1 ZINC000787667328 1076904392 /nfs/dbraw/zinc/90/43/92/1076904392.db2.gz BTCLQQBKEKQQCG-KRWDZBQOSA-N 1 1 412.486 2.996 20 0 HFADMO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000787672464 1076906330 /nfs/dbraw/zinc/90/63/30/1076906330.db2.gz SMFIAOOYACXHSG-NVXWUHKLSA-N 1 1 411.468 2.869 20 0 HFADMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000787708169 1076920799 /nfs/dbraw/zinc/92/07/99/1076920799.db2.gz SFSHLXGZNCSDTH-HTAPYJJXSA-N 1 1 405.539 2.934 20 0 HFADMO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000787708169 1076920803 /nfs/dbraw/zinc/92/08/03/1076920803.db2.gz SFSHLXGZNCSDTH-HTAPYJJXSA-N 1 1 405.539 2.934 20 0 HFADMO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000787739948 1076937465 /nfs/dbraw/zinc/93/74/65/1076937465.db2.gz VPHPFCIRQASILL-OAQYLSRUSA-N 1 1 414.594 2.709 20 0 HFADMO C[N@@H+](CC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1)[C@H]1CCSC1 ZINC000787783224 1076944749 /nfs/dbraw/zinc/94/47/49/1076944749.db2.gz PMZYNBGVCOIFMZ-IBGZPJMESA-N 1 1 405.564 2.589 20 0 HFADMO O=C(NC[C@H](O)c1cc(F)cc(Cl)c1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000787816783 1076952664 /nfs/dbraw/zinc/95/26/64/1076952664.db2.gz GBOUCIVBQOKNSV-PMACEKPBSA-N 1 1 406.885 2.827 20 0 HFADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000787904491 1076988569 /nfs/dbraw/zinc/98/85/69/1076988569.db2.gz SZGLKUWUKHXTDX-KNQAVFIVSA-N 1 1 415.578 2.729 20 0 HFADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)C1 ZINC000787909632 1076990976 /nfs/dbraw/zinc/99/09/76/1076990976.db2.gz MICFLVSENSVHAX-UGKGYDQZSA-N 1 1 415.578 2.587 20 0 HFADMO C[C@H](CONC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)NC(=O)OC(C)(C)C ZINC000787910111 1076991829 /nfs/dbraw/zinc/99/18/29/1076991829.db2.gz IZBQZOGDPAYNSF-LLVKDONJSA-N 1 1 411.409 2.780 20 0 HFADMO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)CCC2 ZINC000787913042 1076992928 /nfs/dbraw/zinc/99/29/28/1076992928.db2.gz UXJAHEKSAZRINT-PKOBYXMFSA-N 1 1 403.571 2.586 20 0 HFADMO CN(C(=O)Nc1cc(-n2cnnn2)ccc1F)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000746723487 1077010935 /nfs/dbraw/zinc/01/09/35/1077010935.db2.gz UUJYDXZJGZLHIO-GOSISDBHSA-N 1 1 409.469 2.930 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)OCC(=O)N(C)c3nccs3)cc2)C[C@H](C)O1 ZINC000787988943 1077020159 /nfs/dbraw/zinc/02/01/59/1077020159.db2.gz SKCWNYPUWDZQAM-GASCZTMLSA-N 1 1 403.504 2.572 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)OCC(=O)N(C)c3nccs3)cc2)C[C@H](C)O1 ZINC000787988943 1077020166 /nfs/dbraw/zinc/02/01/66/1077020166.db2.gz SKCWNYPUWDZQAM-GASCZTMLSA-N 1 1 403.504 2.572 20 0 HFADMO C[C@@H]1CCCC[C@H]1OCCNC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000787993799 1077021978 /nfs/dbraw/zinc/02/19/78/1077021978.db2.gz XVMWAYUZAZXOSX-ZYKOEDHHSA-N 1 1 415.578 2.726 20 0 HFADMO CCC[N@@H+](CC)CCNC(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC ZINC000746722913 1077022352 /nfs/dbraw/zinc/02/23/52/1077022352.db2.gz OLBIAGGPLQXVJK-UHFFFAOYSA-N 1 1 411.446 2.842 20 0 HFADMO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788004561 1077025981 /nfs/dbraw/zinc/02/59/81/1077025981.db2.gz WDIYIPDPZUVMTH-TVFCKZIOSA-N 1 1 411.587 2.667 20 0 HFADMO C[C@H](NC(=O)CC1CCC2(CC1)OCCO2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000788096473 1077057424 /nfs/dbraw/zinc/05/74/24/1077057424.db2.gz UXQFPJOFTUWTHU-GHTZIAJQSA-N 1 1 402.535 2.716 20 0 HFADMO C[C@H](NC(=O)CC1CCC2(CC1)OCCO2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000788096473 1077057430 /nfs/dbraw/zinc/05/74/30/1077057430.db2.gz UXQFPJOFTUWTHU-GHTZIAJQSA-N 1 1 402.535 2.716 20 0 HFADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)CC3CCC4(CC3)OCCO4)C2)cc(OC)c1 ZINC000788227874 1077083338 /nfs/dbraw/zinc/08/33/38/1077083338.db2.gz PBRSMNBNPPAIIF-IBGZPJMESA-N 1 1 418.534 2.718 20 0 HFADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)CC3CCC4(CC3)OCCO4)C2)cc(OC)c1 ZINC000788227874 1077083344 /nfs/dbraw/zinc/08/33/44/1077083344.db2.gz PBRSMNBNPPAIIF-IBGZPJMESA-N 1 1 418.534 2.718 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000788307875 1077093068 /nfs/dbraw/zinc/09/30/68/1077093068.db2.gz PBYDZJAERTYXAH-UHFFFAOYSA-N 1 1 419.894 2.954 20 0 HFADMO C[N@H+]1CC[C@H](NC(=O)Nc2cccc(OCCS(C)(=O)=O)c2)[C@@H]1c1ccccc1 ZINC000788288189 1077098941 /nfs/dbraw/zinc/09/89/41/1077098941.db2.gz ZDXVQFGXXWZZJN-PMACEKPBSA-N 1 1 417.531 2.677 20 0 HFADMO 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ZINC000791590017 1077493516 /nfs/dbraw/zinc/49/35/16/1077493516.db2.gz SZQGUQAJZBMIDZ-AOMKIAJQSA-N 1 1 411.502 2.834 20 0 HFADMO CCOC(=O)Nc1ccc2c(C[N@@H+]3CCO[C@@]4(CCO[C@@H]4C)C3)cc(=O)oc2c1 ZINC000791591255 1077494426 /nfs/dbraw/zinc/49/44/26/1077494426.db2.gz WXRZADDSYMMPSQ-SZNDQCEHSA-N 1 1 402.447 2.741 20 0 HFADMO CCOC(=O)Nc1ccc2c(C[N@H+]3CCO[C@@]4(CCO[C@@H]4C)C3)cc(=O)oc2c1 ZINC000791591255 1077494431 /nfs/dbraw/zinc/49/44/31/1077494431.db2.gz WXRZADDSYMMPSQ-SZNDQCEHSA-N 1 1 402.447 2.741 20 0 HFADMO CCOC(=O)Nc1ccc2c(C[N@@H+]3CCO[C@]4(CCO[C@@H]4C)C3)cc(=O)oc2c1 ZINC000791591252 1077494453 /nfs/dbraw/zinc/49/44/53/1077494453.db2.gz WXRZADDSYMMPSQ-SPLOXXLWSA-N 1 1 402.447 2.741 20 0 HFADMO CCOC(=O)Nc1ccc2c(C[N@H+]3CCO[C@]4(CCO[C@@H]4C)C3)cc(=O)oc2c1 ZINC000791591252 1077494457 /nfs/dbraw/zinc/49/44/57/1077494457.db2.gz WXRZADDSYMMPSQ-SPLOXXLWSA-N 1 1 402.447 2.741 20 0 HFADMO Cc1cc(N2CC[C@H]([NH+]3CCC(COc4ccc(Cl)nc4)CC3)C2=O)n(C)n1 ZINC000789309821 1077509176 /nfs/dbraw/zinc/50/91/76/1077509176.db2.gz HNRUTLAJTIRFEK-KRWDZBQOSA-N 1 1 403.914 2.673 20 0 HFADMO CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+](C[C@H](O)C3CCCCC3)C2)CC1 ZINC000789310838 1077509240 /nfs/dbraw/zinc/50/92/40/1077509240.db2.gz WDEPJZDUNSHTMB-UXHICEINSA-N 1 1 423.598 2.719 20 0 HFADMO Cc1cc(C)c(N2CC[C@@H](N3CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)C2=O)c(C)c1 ZINC000789353608 1077513825 /nfs/dbraw/zinc/51/38/25/1077513825.db2.gz ZTPFZQNSAAVCIQ-HNTVYWHESA-N 1 1 410.606 2.960 20 0 HFADMO CN1C(=O)C[C@H](C(=O)OCCC[NH+]2CCOCC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000791656544 1077514542 /nfs/dbraw/zinc/51/45/42/1077514542.db2.gz HSHMKWQEQCISCV-KBXCAEBGSA-N 1 1 415.317 2.778 20 0 HFADMO CC[C@H](C)n1ncc(C(=O)OCC(=O)N2CC[NH+](Cc3ccccc3C)CC2)c1C ZINC000791664336 1077517355 /nfs/dbraw/zinc/51/73/55/1077517355.db2.gz NRWXARKRCXSOIL-SFHVURJKSA-N 1 1 412.534 2.972 20 0 HFADMO CCCc1ccc(N2C[C@@H](C(=O)OCCC[NH+]3CCN(C(C)C)CC3)CC2=O)cc1 ZINC000791686397 1077527689 /nfs/dbraw/zinc/52/76/89/1077527689.db2.gz DUWKNDWOCDSDDT-NRFANRHFSA-N 1 1 415.578 2.951 20 0 HFADMO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@@H+](C)[C@@H](C)CN2CCOCC2)c1 ZINC000789340205 1077527979 /nfs/dbraw/zinc/52/79/79/1077527979.db2.gz LDOZMBYCDIBZOV-IBGZPJMESA-N 1 1 424.545 2.838 20 0 HFADMO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@H+](C)[C@@H](C)CN2CCOCC2)c1 ZINC000789340205 1077527981 /nfs/dbraw/zinc/52/79/81/1077527981.db2.gz LDOZMBYCDIBZOV-IBGZPJMESA-N 1 1 424.545 2.838 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)Nc1nc2c(s1)CCCCC2 ZINC000789386760 1077532656 /nfs/dbraw/zinc/53/26/56/1077532656.db2.gz FGLPCWXGGHEYSC-UHFFFAOYSA-N 1 1 410.503 2.556 20 0 HFADMO CCC[C@@H]1CN(C(=O)Nc2ccc(Br)nc2OC)CC[N@H+]1CCOC ZINC000789394014 1077535919 /nfs/dbraw/zinc/53/59/19/1077535919.db2.gz SDDLRQWYPZGUCC-CYBMUJFWSA-N 1 1 415.332 2.817 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000789364111 1077538494 /nfs/dbraw/zinc/53/84/94/1077538494.db2.gz MNFFCOAHKSPKLL-QRWLVFNGSA-N 1 1 418.515 2.773 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000789364111 1077538498 /nfs/dbraw/zinc/53/84/98/1077538498.db2.gz MNFFCOAHKSPKLL-QRWLVFNGSA-N 1 1 418.515 2.773 20 0 HFADMO CC(C)N(C)c1ccc(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1F ZINC000746803047 1077542237 /nfs/dbraw/zinc/54/22/37/1077542237.db2.gz KTGXRBFWOASJGT-QGZVFWFLSA-N 1 1 404.530 2.799 20 0 HFADMO CC(C)(C)OC(=O)N1CC(C)(OCC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000791826411 1077575036 /nfs/dbraw/zinc/57/50/36/1077575036.db2.gz WAFKLJBZJJASCR-LJQANCHMSA-N 1 1 417.550 2.651 20 0 HFADMO CC(=O)[C@@H]1CC(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)=NN1c1ccccc1 ZINC000791828719 1077576876 /nfs/dbraw/zinc/57/68/76/1077576876.db2.gz OVAKAEZJDAJISY-REWPJTCUSA-N 1 1 404.514 2.849 20 0 HFADMO COC(=O)Nc1ccc(NC(=O)C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000746813775 1077578537 /nfs/dbraw/zinc/57/85/37/1077578537.db2.gz ZIBOWJNMDNGCFR-MRXNPFEDSA-N 1 1 412.490 2.830 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)c2ccc(CSc3nc[nH]n3)cc2)CC1 ZINC000791884915 1077586005 /nfs/dbraw/zinc/58/60/05/1077586005.db2.gz FTDFOTZIVWVGST-UHFFFAOYSA-N 1 1 403.552 2.670 20 0 HFADMO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791940590 1077600511 /nfs/dbraw/zinc/60/05/11/1077600511.db2.gz VVRGUSGANYACIK-QHRROTSZSA-N 1 1 413.587 2.835 20 0 HFADMO CCOC(=O)C1C(C[N@H+]2CCC[C@]2(CO)CC(C)C)=NC(=O)N[C@H]1c1ccccc1 ZINC000789507606 1077601405 /nfs/dbraw/zinc/60/14/05/1077601405.db2.gz SRBUINVXDTWIQA-NZQKXSOJSA-N 1 1 415.534 2.731 20 0 HFADMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@]2(CO)CC(C)C)NC(=O)N[C@H]1c1ccccc1 ZINC000789507606 1077601407 /nfs/dbraw/zinc/60/14/07/1077601407.db2.gz SRBUINVXDTWIQA-NZQKXSOJSA-N 1 1 415.534 2.731 20 0 HFADMO CCOC(=O)C1=C(C[N@H+]2CCC[C@]2(CO)CC(C)C)NC(=O)N[C@H]1c1ccccc1 ZINC000789507606 1077601409 /nfs/dbraw/zinc/60/14/09/1077601409.db2.gz SRBUINVXDTWIQA-NZQKXSOJSA-N 1 1 415.534 2.731 20 0 HFADMO O=C(CCC(=O)N1CCOc2ccccc21)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791946981 1077605316 /nfs/dbraw/zinc/60/53/16/1077605316.db2.gz PWPBOYJWHALOMJ-OYRHEFFESA-N 1 1 419.525 2.783 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@]2(C)CCCN2C(=O)c2ccccc2)CC1 ZINC000791912256 1077607619 /nfs/dbraw/zinc/60/76/19/1077607619.db2.gz NUKFHEDSPQHTPT-QHCPKHFHSA-N 1 1 401.551 2.641 20 0 HFADMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000791973612 1077615979 /nfs/dbraw/zinc/61/59/79/1077615979.db2.gz ABVAEBGPQKIDHC-UGKGYDQZSA-N 1 1 400.482 2.989 20 0 HFADMO Cc1cc2ncn(C[C@@H](O)C[N@H+](C)[C@H]3CCN(Cc4ccccc4)C3=O)c2cc1C ZINC000789523405 1077619698 /nfs/dbraw/zinc/61/96/98/1077619698.db2.gz YTWCGOWUOKKKFM-UNMCSNQZSA-N 1 1 406.530 2.747 20 0 HFADMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC000791980697 1077620789 /nfs/dbraw/zinc/62/07/89/1077620789.db2.gz MWPNVVLQNHDLFE-LRYGAUQLSA-N 1 1 424.545 2.630 20 0 HFADMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000746826941 1077624007 /nfs/dbraw/zinc/62/40/07/1077624007.db2.gz BQMLSQSPNWLPCU-RTBURBONSA-N 1 1 418.582 2.816 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@@]2(C)CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000791952498 1077627247 /nfs/dbraw/zinc/62/72/47/1077627247.db2.gz VXJJPMBARTZHLH-DEOSSOPVSA-N 1 1 415.578 2.888 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@]2(C)CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000791952502 1077627756 /nfs/dbraw/zinc/62/77/56/1077627756.db2.gz VXJJPMBARTZHLH-XMMPIXPASA-N 1 1 415.578 2.888 20 0 HFADMO C[C@@]1(c2ccc(Br)cc2)NC(=O)N(C[N@@H+]2CC[C@]3(C2)CCCOC3)C1=O ZINC000789546633 1077638273 /nfs/dbraw/zinc/63/82/73/1077638273.db2.gz RKHAUMSUTCQDKD-OALUTQOASA-N 1 1 422.323 2.676 20 0 HFADMO C[C@@]1(c2ccc(Br)cc2)NC(=O)N(C[N@H+]2CC[C@]3(C2)CCCOC3)C1=O ZINC000789546633 1077638274 /nfs/dbraw/zinc/63/82/74/1077638274.db2.gz RKHAUMSUTCQDKD-OALUTQOASA-N 1 1 422.323 2.676 20 0 HFADMO CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1)n2C ZINC000791965817 1077638432 /nfs/dbraw/zinc/63/84/32/1077638432.db2.gz KDLNXLUJEHIDBA-SFHVURJKSA-N 1 1 421.501 2.772 20 0 HFADMO COc1ccc(OC)c([C@H](C)NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792029084 1077658064 /nfs/dbraw/zinc/65/80/64/1077658064.db2.gz IKKAJAXBVBANMF-INIZCTEOSA-N 1 1 421.538 2.824 20 0 HFADMO CCCCC[C@H]([NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C(=O)OC ZINC000789574711 1077657946 /nfs/dbraw/zinc/65/79/46/1077657946.db2.gz GCIHIRCCLXQQPP-IBGZPJMESA-N 1 1 412.552 2.560 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2ccc(Cn3cccn3)cc2)CC1 ZINC000792070484 1077678059 /nfs/dbraw/zinc/67/80/59/1077678059.db2.gz YIAKMYAITGYRFY-UHFFFAOYSA-N 1 1 413.522 2.813 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@H]2COc3ccc(Br)cc32)CC1 ZINC000792072745 1077679408 /nfs/dbraw/zinc/67/94/08/1077679408.db2.gz XUXDJMSLQWDQTI-KRWDZBQOSA-N 1 1 411.340 2.884 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2nccn2Cc2ccccc2)CC1 ZINC000792076655 1077682775 /nfs/dbraw/zinc/68/27/75/1077682775.db2.gz OYDKYDFRWPSELL-UHFFFAOYSA-N 1 1 413.522 2.813 20 0 HFADMO CC(C)NC(=O)c1ccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000792076305 1077683206 /nfs/dbraw/zinc/68/32/06/1077683206.db2.gz POLWNDIHXKRNPH-UHFFFAOYSA-N 1 1 418.538 2.706 20 0 HFADMO C[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC000792077586 1077683466 /nfs/dbraw/zinc/68/34/66/1077683466.db2.gz WNGPDBWNZDOLFB-MJGOQNOKSA-N 1 1 404.555 2.763 20 0 HFADMO C[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C[C@H](c2ccccc2)O1 ZINC000792086955 1077710631 /nfs/dbraw/zinc/71/06/31/1077710631.db2.gz XDKVLHDDCRFFLV-AZUAARDMSA-N 1 1 417.550 2.918 20 0 HFADMO COc1ccc(CN(C)C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000792138353 1077719309 /nfs/dbraw/zinc/71/93/09/1077719309.db2.gz OVZVSLIANAPLMO-UHFFFAOYSA-N 1 1 405.539 2.905 20 0 HFADMO COc1cccc(C[C@@H](C)NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792164916 1077731452 /nfs/dbraw/zinc/73/14/52/1077731452.db2.gz VUZFGYNAKNXPHC-QGZVFWFLSA-N 1 1 405.539 2.685 20 0 HFADMO CN(C)C(=O)[C@H]([NH2+]Cc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)c1ccccc1 ZINC000789695711 1077732557 /nfs/dbraw/zinc/73/25/57/1077732557.db2.gz DKUASZGVVJLRTI-HYBUGGRVSA-N 1 1 420.513 2.831 20 0 HFADMO O=C(N[C@H]1Cc2ccc(Cl)cc2C1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000789669150 1077734460 /nfs/dbraw/zinc/73/44/60/1077734460.db2.gz STWJOBMZYQBRCK-RTWAWAEBSA-N 1 1 411.933 2.704 20 0 HFADMO Cc1nnc(-c2ccc(NC(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)cc2)o1 ZINC000792189584 1077739013 /nfs/dbraw/zinc/73/90/13/1077739013.db2.gz HCROBGKZNIACTD-UHFFFAOYSA-N 1 1 415.494 2.926 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N(C[C@@H]2CCCO2)C2CCCC2)CC1 ZINC000792201105 1077743960 /nfs/dbraw/zinc/74/39/60/1077743960.db2.gz SSBNFWZJOHWMCT-IBGZPJMESA-N 1 1 409.571 2.879 20 0 HFADMO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792202507 1077744306 /nfs/dbraw/zinc/74/43/06/1077744306.db2.gz LJKVHMJXGNOYOD-RDJZCZTQSA-N 1 1 403.475 2.652 20 0 HFADMO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792202507 1077744310 /nfs/dbraw/zinc/74/43/10/1077744310.db2.gz LJKVHMJXGNOYOD-RDJZCZTQSA-N 1 1 403.475 2.652 20 0 HFADMO C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@H](c2ccccc2)CO1 ZINC000792206288 1077745902 /nfs/dbraw/zinc/74/59/02/1077745902.db2.gz FROJZVZOPPLIQU-QUCCMNQESA-N 1 1 417.550 2.918 20 0 HFADMO C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C[C@H](c2ccsc2)O1 ZINC000792223672 1077749923 /nfs/dbraw/zinc/74/99/23/1077749923.db2.gz DZYINTHMQQQTNY-SJLPKXTDSA-N 1 1 423.579 2.979 20 0 HFADMO C[C@@](O)(CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000792224110 1077750599 /nfs/dbraw/zinc/75/05/99/1077750599.db2.gz CRAMKAKNHMQWGX-HTAPYJJXSA-N 1 1 403.473 2.994 20 0 HFADMO COc1cccc2c1CC[C@H]2NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792225413 1077750912 /nfs/dbraw/zinc/75/09/12/1077750912.db2.gz ITIYRVDNBVGAET-GOSISDBHSA-N 1 1 403.523 2.742 20 0 HFADMO COCCN(Cc1ccc(C)o1)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792226122 1077751836 /nfs/dbraw/zinc/75/18/36/1077751836.db2.gz PDWLYJJAVWVZMT-UHFFFAOYSA-N 1 1 409.527 2.506 20 0 HFADMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)c1nc(Br)ccc1F ZINC000792238255 1077759752 /nfs/dbraw/zinc/75/97/52/1077759752.db2.gz MVOYDFORYWMTRO-GOEBONIOSA-N 1 1 422.298 2.596 20 0 HFADMO COC(=O)[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792239325 1077760013 /nfs/dbraw/zinc/76/00/13/1077760013.db2.gz FSQGYXLFRJADIN-ROUUACIJSA-N 1 1 406.910 2.658 20 0 HFADMO C[C@H](CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)NC(=O)OC(C)(C)C ZINC000792265152 1077787043 /nfs/dbraw/zinc/78/70/43/1077787043.db2.gz WNVCLYKBIUJBIT-QRQLOZEOSA-N 1 1 402.539 2.673 20 0 HFADMO CO[C@H](c1ccccc1F)[C@H](C)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792303432 1077796880 /nfs/dbraw/zinc/79/68/80/1077796880.db2.gz GFJAPMCQGVCGSL-JXFKEZNVSA-N 1 1 423.529 2.961 20 0 HFADMO Cc1nc2c(s1)[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)CCC2 ZINC000792305527 1077798210 /nfs/dbraw/zinc/79/82/10/1077798210.db2.gz CPZLIRFMGSALRW-MRXNPFEDSA-N 1 1 408.568 2.888 20 0 HFADMO C[C@H](NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000792308805 1077799517 /nfs/dbraw/zinc/79/95/17/1077799517.db2.gz HNGVXMMNNDHLME-OALUTQOASA-N 1 1 422.614 2.698 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N(Cc2c(F)cccc2F)C2CC2)cn1 ZINC000792323880 1077806755 /nfs/dbraw/zinc/80/67/55/1077806755.db2.gz BROGCGWWLAFWHE-UHFFFAOYSA-N 1 1 411.412 2.984 20 0 HFADMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000792367362 1077818289 /nfs/dbraw/zinc/81/82/89/1077818289.db2.gz UBJDSLWUZQVWSA-HNNXBMFYSA-N 1 1 406.408 2.677 20 0 HFADMO CCn1cc([C@@H](O)C[N@@H+](CCc2nnnn2-c2ccccc2)Cc2ccccc2)cn1 ZINC000792376236 1077843348 /nfs/dbraw/zinc/84/33/48/1077843348.db2.gz LABXCARMYVDBDJ-QFIPXVFZSA-N 1 1 417.517 2.657 20 0 HFADMO COC(=O)c1cc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)nc2ccccc21 ZINC001170166522 1077850385 /nfs/dbraw/zinc/85/03/85/1077850385.db2.gz NKEILBOWKGYBPA-UHFFFAOYSA-N 1 1 405.458 2.890 20 0 HFADMO CCc1cc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)nc(-c2ccncc2)n1 ZINC001170166298 1077857800 /nfs/dbraw/zinc/85/78/00/1077857800.db2.gz MCOROJSPBUDNOZ-UHFFFAOYSA-N 1 1 403.490 2.969 20 0 HFADMO C[NH+](C)[C@@H](CNC(=O)c1csc(CCNC(=O)OC(C)(C)C)n1)c1ccco1 ZINC000789939360 1077859980 /nfs/dbraw/zinc/85/99/80/1077859980.db2.gz LNUJYKNRKJCFIQ-AWEZNQCLSA-N 1 1 408.524 2.836 20 0 HFADMO CCc1c(NC(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)cnn1-c1ccccc1C ZINC000792489438 1077864567 /nfs/dbraw/zinc/86/45/67/1077864567.db2.gz XBNRYQXEPJNCEJ-QGZVFWFLSA-N 1 1 413.522 2.844 20 0 HFADMO O=C(CCn1c(=O)c2ccccc2[nH]c1=S)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792497564 1077868096 /nfs/dbraw/zinc/86/80/96/1077868096.db2.gz KVYKCHXYZHHQGQ-SFHVURJKSA-N 1 1 422.554 2.714 20 0 HFADMO O=C(CCn1c(=O)c2ccccc2[nH]c1=S)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792497564 1077868100 /nfs/dbraw/zinc/86/81/00/1077868100.db2.gz KVYKCHXYZHHQGQ-SFHVURJKSA-N 1 1 422.554 2.714 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(N3C[C@H](C)O[C@@H](C)C3)ccn2)cn1 ZINC000789958491 1077869105 /nfs/dbraw/zinc/86/91/05/1077869105.db2.gz WFLOMFUQNUOVJW-HOTGVXAUSA-N 1 1 406.490 2.514 20 0 HFADMO COC[C@H](Cc1ccccc1)N(C)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792478174 1077874960 /nfs/dbraw/zinc/87/49/60/1077874960.db2.gz IKIUIECFNBXWMF-FQEVSTJZSA-N 1 1 419.566 2.645 20 0 HFADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)c3ccn(CC(F)F)n3)CC2)c1C ZINC000789932585 1077877376 /nfs/dbraw/zinc/87/73/76/1077877376.db2.gz VTLFRILCSMTSSZ-UHFFFAOYSA-N 1 1 421.492 2.905 20 0 HFADMO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000746868327 1077887195 /nfs/dbraw/zinc/88/71/95/1077887195.db2.gz WQBFEMZIUSNHTL-HSZRJFAPSA-N 1 1 410.518 2.644 20 0 HFADMO FC(F)(F)c1ccc(-n2cc(NC(=S)NCCC[NH+]3CCOCC3)cn2)cc1 ZINC000772801335 1077905820 /nfs/dbraw/zinc/90/58/20/1077905820.db2.gz NWRRVVRZKUBZIV-UHFFFAOYSA-N 1 1 413.469 2.900 20 0 HFADMO Cc1ccc(NC(=O)NC(=O)C[N@H+](Cc2ccccc2)[C@]2(CO)CCOC2)cc1C ZINC001170216592 1077909534 /nfs/dbraw/zinc/90/95/34/1077909534.db2.gz NIHSYWQDFZAXDP-QHCPKHFHSA-N 1 1 411.502 2.605 20 0 HFADMO Cc1ccc(NC(=O)NC(=O)C[N@@H+](Cc2ccccc2)[C@]2(CO)CCOC2)cc1C ZINC001170216592 1077909535 /nfs/dbraw/zinc/90/95/35/1077909535.db2.gz NIHSYWQDFZAXDP-QHCPKHFHSA-N 1 1 411.502 2.605 20 0 HFADMO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)N(C)CCCOc1ccc(F)cc1 ZINC001170218065 1077910025 /nfs/dbraw/zinc/91/00/25/1077910025.db2.gz SSHMVBWIBXMJRE-SFHVURJKSA-N 1 1 409.502 2.654 20 0 HFADMO CCNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)N(C)CCCOc1ccc(F)cc1 ZINC001170218065 1077910026 /nfs/dbraw/zinc/91/00/26/1077910026.db2.gz SSHMVBWIBXMJRE-SFHVURJKSA-N 1 1 409.502 2.654 20 0 HFADMO COc1ccc(CCS(=O)(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000790012305 1077912421 /nfs/dbraw/zinc/91/24/21/1077912421.db2.gz UJNPLJFHCYAZNP-GOSISDBHSA-N 1 1 418.559 2.578 20 0 HFADMO COc1ccc(CCS(=O)(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000790012305 1077912424 /nfs/dbraw/zinc/91/24/24/1077912424.db2.gz UJNPLJFHCYAZNP-GOSISDBHSA-N 1 1 418.559 2.578 20 0 HFADMO CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000792577337 1077914280 /nfs/dbraw/zinc/91/42/80/1077914280.db2.gz FPOVVHJUEYNYEU-HSALFYBXSA-N 1 1 411.546 2.834 20 0 HFADMO O=C(CC[NH+]1CCOCC1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000790069917 1077921404 /nfs/dbraw/zinc/92/14/04/1077921404.db2.gz ZQZGOTDNRUVXLF-UHFFFAOYSA-N 1 1 423.922 2.802 20 0 HFADMO C[C@@H](Cc1ccccc1Cl)[N@@H+]1CCCn2c(=O)cc(CNC(=O)N(C)C)nc2C1 ZINC001170271388 1077924651 /nfs/dbraw/zinc/92/46/51/1077924651.db2.gz BVQMIUMODYUZBD-HNNXBMFYSA-N 1 1 417.941 2.505 20 0 HFADMO C[C@@H](Cc1ccccc1Cl)[N@H+]1CCCn2c(=O)cc(CNC(=O)N(C)C)nc2C1 ZINC001170271388 1077924655 /nfs/dbraw/zinc/92/46/55/1077924655.db2.gz BVQMIUMODYUZBD-HNNXBMFYSA-N 1 1 417.941 2.505 20 0 HFADMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)[C@@H](C)C1 ZINC000790051347 1077931185 /nfs/dbraw/zinc/93/11/85/1077931185.db2.gz FKLAQVUWZMYPMN-UGKGYDQZSA-N 1 1 414.594 2.524 20 0 HFADMO C[C@@H](Cc1ccccc1Cl)[N@H+]1C[C@H](NC(=O)c2cnn(C)c2)[C@H]2OCCC[C@H]21 ZINC001170283498 1077937306 /nfs/dbraw/zinc/93/73/06/1077937306.db2.gz MDKVIPHMGFKWBT-VVHHDAOASA-N 1 1 402.926 2.666 20 0 HFADMO C[C@@H](Cc1ccccc1Cl)[N@@H+]1CCCn2c(=O)cc(CNC(=O)C3CC3)nc2C1 ZINC001170285258 1077937668 /nfs/dbraw/zinc/93/76/68/1077937668.db2.gz RYSPDGFSNGYECT-HNNXBMFYSA-N 1 1 414.937 2.760 20 0 HFADMO C[C@@H](Cc1ccccc1Cl)[N@H+]1CCCn2c(=O)cc(CNC(=O)C3CC3)nc2C1 ZINC001170285258 1077937670 /nfs/dbraw/zinc/93/76/70/1077937670.db2.gz RYSPDGFSNGYECT-HNNXBMFYSA-N 1 1 414.937 2.760 20 0 HFADMO C[C@]1(c2cccnc2N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)NC(=O)NC1=O ZINC001170330659 1077944981 /nfs/dbraw/zinc/94/49/81/1077944981.db2.gz FLCWSVJABPXCKW-PRHHBONVSA-N 1 1 405.502 2.744 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[C@@H](n2nncc2C[N@H+]2CC[C@H](O)C23CCCC3)C1 ZINC001206047595 1077948491 /nfs/dbraw/zinc/94/84/91/1077948491.db2.gz JSLMHLVYOMDSOB-AEFFLSMTSA-N 1 1 405.543 2.730 20 0 HFADMO COc1ccc([C@@H]2CCCCCN2C(=O)CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1 ZINC001170352199 1077948508 /nfs/dbraw/zinc/94/85/08/1077948508.db2.gz USKIBZGRSNFQLV-JQVVWYNYSA-N 1 1 403.567 2.526 20 0 HFADMO C[NH+]1CCN(C(=O)c2cccc(NCC3CCN(C(=O)C(C)(C)C)CC3)c2)CC1 ZINC001170353254 1077948547 /nfs/dbraw/zinc/94/85/47/1077948547.db2.gz AWYJDEZCEAEXGK-UHFFFAOYSA-N 1 1 400.567 2.771 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC000790123943 1077959091 /nfs/dbraw/zinc/95/90/91/1077959091.db2.gz GUWMQXZGZYDBTD-CAPFRKAQSA-N 1 1 411.502 2.620 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC000790123943 1077959093 /nfs/dbraw/zinc/95/90/93/1077959093.db2.gz GUWMQXZGZYDBTD-CAPFRKAQSA-N 1 1 411.502 2.620 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000790127361 1077960056 /nfs/dbraw/zinc/96/00/56/1077960056.db2.gz MCYNQKRVWIKFFV-UHFFFAOYSA-N 1 1 417.550 2.604 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000790127361 1077960057 /nfs/dbraw/zinc/96/00/57/1077960057.db2.gz MCYNQKRVWIKFFV-UHFFFAOYSA-N 1 1 417.550 2.604 20 0 HFADMO Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)[C@@H]3CCC(=O)c4ccccc43)CC2)c1 ZINC000792657720 1077960832 /nfs/dbraw/zinc/96/08/32/1077960832.db2.gz JPYJNPBCBQZZBM-JOCHJYFZSA-N 1 1 420.509 2.943 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2cccc(OCC(F)F)n2)CC1 ZINC000792657563 1077960850 /nfs/dbraw/zinc/96/08/50/1077960850.db2.gz HPAUKLXJSNDASU-UHFFFAOYSA-N 1 1 414.453 2.607 20 0 HFADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C[C@@H]3OC(=O)c4ccccc43)n2)c1C ZINC000790160708 1077962482 /nfs/dbraw/zinc/96/24/82/1077962482.db2.gz ILNLZFSUIXIAML-KRWDZBQOSA-N 1 1 407.430 2.587 20 0 HFADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)[C@@H]3CC(c4cccc(F)c4)=NO3)n2)c1C ZINC000790160447 1077962697 /nfs/dbraw/zinc/96/26/97/1077962697.db2.gz FUNZLCDXNNPWJL-SFHVURJKSA-N 1 1 424.436 2.618 20 0 HFADMO CC(C)N(C)c1ccc(NC(=O)CC[NH+]2CCN(c3ncns3)CC2)cc1F ZINC001170400679 1077965049 /nfs/dbraw/zinc/96/50/49/1077965049.db2.gz WMFDUHIEKMTXSW-UHFFFAOYSA-N 1 1 406.531 2.673 20 0 HFADMO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000790189482 1077966777 /nfs/dbraw/zinc/96/67/77/1077966777.db2.gz JOYRKKUXXFABQV-BHIFYINESA-N 1 1 411.550 2.775 20 0 HFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=S)Nc2cc(Cl)ccc2OC)CC1 ZINC000792678132 1077971409 /nfs/dbraw/zinc/97/14/09/1077971409.db2.gz WICVMTHSJZEEHL-UHFFFAOYSA-N 1 1 412.987 2.922 20 0 HFADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=S)Nc2cc(Cl)ccc2OC)CC1 ZINC000792678132 1077971412 /nfs/dbraw/zinc/97/14/12/1077971412.db2.gz WICVMTHSJZEEHL-UHFFFAOYSA-N 1 1 412.987 2.922 20 0 HFADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)COC(=O)Cc2ccc(Cl)cn2)CC1 ZINC000792719934 1077974040 /nfs/dbraw/zinc/97/40/40/1077974040.db2.gz YPXNPTWJMXTJRA-UHFFFAOYSA-N 1 1 415.921 2.864 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCO[C@H](COc3ccccc3)C2)cn1 ZINC000790233856 1077981910 /nfs/dbraw/zinc/98/19/10/1077981910.db2.gz FKCLMTZQWYMOBQ-FQEVSTJZSA-N 1 1 407.474 2.565 20 0 HFADMO Cc1cc(N2CCC(NS(=O)(=O)C3=Cc4ccccc4OCC3)CC2)nc(C)[nH+]1 ZINC000772819643 1077988816 /nfs/dbraw/zinc/98/88/16/1077988816.db2.gz STJRNLAJMAVCKY-UHFFFAOYSA-N 1 1 414.531 2.805 20 0 HFADMO C[N@H+]1CCCN(c2ccc(NC(=O)[C@@H]3CCS(=O)(=O)c4ccccc43)cc2)CC1 ZINC000790272349 1077992643 /nfs/dbraw/zinc/99/26/43/1077992643.db2.gz DCGWSGHWYCILIL-HXUWFJFHSA-N 1 1 413.543 2.728 20 0 HFADMO Cc1ccc(CCC[N@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cn1 ZINC000792796787 1077994596 /nfs/dbraw/zinc/99/45/96/1077994596.db2.gz CVPSOWNJMNCEBY-IBGZPJMESA-N 1 1 404.555 2.676 20 0 HFADMO Cc1nc(-c2ccc(I)cc2)nn1C[N@H+]1CCCOC[C@@H]1C ZINC000772822600 1078009458 /nfs/dbraw/zinc/00/94/58/1078009458.db2.gz QFDRQAUJYMCZOZ-LBPRGKRZSA-N 1 1 412.275 2.926 20 0 HFADMO Cc1nc(-c2ccc(I)cc2)nn1C[N@@H+]1CCCOC[C@@H]1C ZINC000772822600 1078009463 /nfs/dbraw/zinc/00/94/63/1078009463.db2.gz QFDRQAUJYMCZOZ-LBPRGKRZSA-N 1 1 412.275 2.926 20 0 HFADMO C[C@]1(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000792857380 1078009554 /nfs/dbraw/zinc/00/95/54/1078009554.db2.gz YYTNHVMVVZAEIQ-DXIQSLLYSA-N 1 1 400.523 2.714 20 0 HFADMO COc1ncc(C(=O)O[C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000792862041 1078010628 /nfs/dbraw/zinc/01/06/28/1078010628.db2.gz PSUXQOYYVQKXSO-YOEHRIQHSA-N 1 1 417.893 2.680 20 0 HFADMO C[C@@H]1C[N@@H+](Cn2ccc(=O)c3cccc(Br)c32)CC2(CCOCC2)O1 ZINC000790391968 1078013162 /nfs/dbraw/zinc/01/31/62/1078013162.db2.gz HAOSSMDVXBUNOL-CQSZACIVSA-N 1 1 407.308 2.991 20 0 HFADMO C[C@@H](Cn1ncc2ccccc21)C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000792847169 1078013713 /nfs/dbraw/zinc/01/37/13/1078013713.db2.gz AWAXIWYLIORAAY-IBGZPJMESA-N 1 1 420.513 2.560 20 0 HFADMO O=C(c1ccc(F)cc1)[C@@H]1CCCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790369657 1078016535 /nfs/dbraw/zinc/01/65/35/1078016535.db2.gz QNSXZTKWOJCBTR-VGSWGCGISA-N 1 1 401.482 2.595 20 0 HFADMO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 ZINC000792901992 1078019746 /nfs/dbraw/zinc/01/97/46/1078019746.db2.gz KMVLSXINYJOWCX-MAUKXSAKSA-N 1 1 404.382 2.608 20 0 HFADMO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 ZINC000792901992 1078019749 /nfs/dbraw/zinc/01/97/49/1078019749.db2.gz KMVLSXINYJOWCX-MAUKXSAKSA-N 1 1 404.382 2.608 20 0 HFADMO COc1cc(C)[nH+]c(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2nccn2C)c1 ZINC000792910117 1078019854 /nfs/dbraw/zinc/01/98/54/1078019854.db2.gz DKVACJOBABAZDK-SFHVURJKSA-N 1 1 401.511 2.926 20 0 HFADMO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000792908546 1078020870 /nfs/dbraw/zinc/02/08/70/1078020870.db2.gz PIDBUKISVJPYBP-UGKGYDQZSA-N 1 1 402.539 2.819 20 0 HFADMO C[C@]12CC[N@H+](CC(=O)NCc3ccc(N4CCCC4=O)cc3)C[C@H]1C2(Cl)Cl ZINC000792914658 1078024425 /nfs/dbraw/zinc/02/44/25/1078024425.db2.gz XHNNKBBBCDSRKN-APWZRJJASA-N 1 1 410.345 2.945 20 0 HFADMO C[C@]12CC[N@@H+](CC(=O)NCc3ccc(N4CCCC4=O)cc3)C[C@H]1C2(Cl)Cl ZINC000792914658 1078024428 /nfs/dbraw/zinc/02/44/28/1078024428.db2.gz XHNNKBBBCDSRKN-APWZRJJASA-N 1 1 410.345 2.945 20 0 HFADMO CNS(=O)(=O)c1cccc2c1CC[N@@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC000792923193 1078026796 /nfs/dbraw/zinc/02/67/96/1078026796.db2.gz UTQXXRNDGGMCKP-UHFFFAOYSA-N 1 1 423.579 2.600 20 0 HFADMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 ZINC000790438853 1078031332 /nfs/dbraw/zinc/03/13/32/1078031332.db2.gz NUHOZYPZXNTOEQ-MSOLQXFVSA-N 1 1 413.518 2.798 20 0 HFADMO C[C@H](O)C[C@@H]1CCCC[N@H+]1CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 ZINC000790438861 1078031348 /nfs/dbraw/zinc/03/13/48/1078031348.db2.gz NUHOZYPZXNTOEQ-ROUUACIJSA-N 1 1 413.518 2.798 20 0 HFADMO COC(=O)c1c2cnn(C[N@H+]3CCC[C@H](CCC(N)=O)C3)c2ccc1Br ZINC000790438318 1078031616 /nfs/dbraw/zinc/03/16/16/1078031616.db2.gz ILGQYCQUFKKXKC-GFCCVEGCSA-N 1 1 423.311 2.520 20 0 HFADMO O=C(Nc1cccc(Br)n1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000792966369 1078037665 /nfs/dbraw/zinc/03/76/65/1078037665.db2.gz YYVYCHAXMHNXNS-UHFFFAOYSA-N 1 1 423.355 2.897 20 0 HFADMO O=C(Nc1cccc(F)n1)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000792969367 1078038838 /nfs/dbraw/zinc/03/88/38/1078038838.db2.gz OJLFWESSZZSRKH-UHFFFAOYSA-N 1 1 424.398 2.959 20 0 HFADMO COCC[N@H+](CN1C(=O)N[C@](C)(Cc2ccc(OC)cc2)C1=O)[C@H]1CC[C@@H](C)C1 ZINC000790477063 1078040096 /nfs/dbraw/zinc/04/00/96/1078040096.db2.gz FGNYKKFEHVALAP-TVTNDZMWSA-N 1 1 403.523 2.643 20 0 HFADMO COCC[N@@H+](CN1C(=O)N[C@](C)(Cc2ccc(OC)cc2)C1=O)[C@H]1CC[C@@H](C)C1 ZINC000790477063 1078040101 /nfs/dbraw/zinc/04/01/01/1078040101.db2.gz FGNYKKFEHVALAP-TVTNDZMWSA-N 1 1 403.523 2.643 20 0 HFADMO C[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1 ZINC000792986686 1078040881 /nfs/dbraw/zinc/04/08/81/1078040881.db2.gz BSDNIIQQOUCVJL-PMACEKPBSA-N 1 1 402.539 2.676 20 0 HFADMO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)CC[N@H+]1C ZINC000792985040 1078041017 /nfs/dbraw/zinc/04/10/17/1078041017.db2.gz JBIDLOTVEHBOES-YZGWKJHDSA-N 1 1 402.539 2.817 20 0 HFADMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)Nc1cccc(Br)n1 ZINC000792987775 1078041291 /nfs/dbraw/zinc/04/12/91/1078041291.db2.gz XKVXVSGXPLMJPC-HNNXBMFYSA-N 1 1 417.307 2.563 20 0 HFADMO C[C@H]1CC[C@@H]([N@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)Nc3ccccc3)CC2)C1 ZINC001170137240 1078041484 /nfs/dbraw/zinc/04/14/84/1078041484.db2.gz NIMQLMWMEVVTQC-RYTRXMBJSA-N 1 1 419.591 2.930 20 0 HFADMO Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc1Br ZINC000793019830 1078042407 /nfs/dbraw/zinc/04/24/07/1078042407.db2.gz VRFDTTJEBNFRAQ-UONOGXRCSA-N 1 1 423.355 2.860 20 0 HFADMO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000806224452 1079508204 /nfs/dbraw/zinc/50/82/04/1079508204.db2.gz ISJRHZUCWJSBIM-FQEVSTJZSA-N 1 1 418.538 2.646 20 0 HFADMO C[C@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC001170501954 1079509948 /nfs/dbraw/zinc/50/99/48/1079509948.db2.gz VLDWHZMULXKONI-HNNXBMFYSA-N 1 1 400.910 2.978 20 0 HFADMO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC001170501956 1079509991 /nfs/dbraw/zinc/50/99/91/1079509991.db2.gz VLDWHZMULXKONI-OAHLLOKOSA-N 1 1 400.910 2.978 20 0 HFADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000806254094 1079521991 /nfs/dbraw/zinc/52/19/91/1079521991.db2.gz QYRUCZSTROFSBX-FGTMMUONSA-N 1 1 407.580 2.543 20 0 HFADMO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc3ccccc3)C1)CCC2 ZINC000806299381 1079551794 /nfs/dbraw/zinc/55/17/94/1079551794.db2.gz XZDASHJSVGLVKL-LEWJYISDSA-N 1 1 423.561 2.691 20 0 HFADMO C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)[C@@H](C)C[N@H+]1C ZINC001130589763 1079570516 /nfs/dbraw/zinc/57/05/16/1079570516.db2.gz RCHRFWSRYKNPCP-VVLHAWIVSA-N 1 1 407.942 2.507 20 0 HFADMO C[C@H]1[C@@H](NC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000806293268 1079579572 /nfs/dbraw/zinc/57/95/72/1079579572.db2.gz ZKUKEUACFBWZJP-LIRRHRJNSA-N 1 1 402.445 2.866 20 0 HFADMO O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000747325465 1079598260 /nfs/dbraw/zinc/59/82/60/1079598260.db2.gz KMMDDIYCEOKLBP-WMZOPIPTSA-N 1 1 421.950 2.897 20 0 HFADMO Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)no1 ZINC001130610897 1079630475 /nfs/dbraw/zinc/63/04/75/1079630475.db2.gz WSUCSERJOFBDLF-KKSFZXQISA-N 1 1 416.547 2.824 20 0 HFADMO Cc1ccc(NC(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c(N(C)C)n1 ZINC000806362570 1079650097 /nfs/dbraw/zinc/65/00/97/1079650097.db2.gz VYPNYHKSEJAPPB-NRFANRHFSA-N 1 1 422.577 2.880 20 0 HFADMO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)CCC2 ZINC000806426186 1079671143 /nfs/dbraw/zinc/67/11/43/1079671143.db2.gz YSKLBZICOMLMFC-IEBWSBKVSA-N 1 1 412.559 2.726 20 0 HFADMO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000806436046 1079683331 /nfs/dbraw/zinc/68/33/31/1079683331.db2.gz BCTSBWGYZRRYNE-WBVHZDCISA-N 1 1 408.568 2.805 20 0 HFADMO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000806436046 1079683333 /nfs/dbraw/zinc/68/33/33/1079683333.db2.gz BCTSBWGYZRRYNE-WBVHZDCISA-N 1 1 408.568 2.805 20 0 HFADMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccon2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000806397209 1079685262 /nfs/dbraw/zinc/68/52/62/1079685262.db2.gz WRZPSJOJXXEICX-IRXDYDNUSA-N 1 1 422.888 2.814 20 0 HFADMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ccon2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000806397209 1079685269 /nfs/dbraw/zinc/68/52/69/1079685269.db2.gz WRZPSJOJXXEICX-IRXDYDNUSA-N 1 1 422.888 2.814 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CCCC[C@@H]1COC(=O)NC(C)C ZINC000806506293 1079755798 /nfs/dbraw/zinc/75/57/98/1079755798.db2.gz OWJLWDGSABYOCE-GOSISDBHSA-N 1 1 414.510 2.774 20 0 HFADMO CCN(C(=O)C(=O)NC[C@@H]1CSCCS1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000806474688 1079761381 /nfs/dbraw/zinc/76/13/81/1079761381.db2.gz DBUCQHBGWWENFG-QXAKKESOSA-N 1 1 421.632 2.635 20 0 HFADMO Cc1noc(C)c1CCCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000806480293 1079765014 /nfs/dbraw/zinc/76/50/14/1079765014.db2.gz HDPBLOOHXDDPOW-LPHOPBHVSA-N 1 1 418.563 2.601 20 0 HFADMO CNC(=O)OC[C@@H]1CCCCN1C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000806537986 1079775005 /nfs/dbraw/zinc/77/50/05/1079775005.db2.gz QYKMYRWTEBQIAD-INIZCTEOSA-N 1 1 403.458 2.740 20 0 HFADMO COC1CCC(CCNC(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000806541417 1079778019 /nfs/dbraw/zinc/77/80/19/1079778019.db2.gz SERKIXNNGRLWJO-NFDBJIOVSA-N 1 1 415.578 2.726 20 0 HFADMO COC(=O)[C@@]1(NC(=O)[C@@H](OC)c2ccc(F)cc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001130661478 1079808772 /nfs/dbraw/zinc/80/87/72/1079808772.db2.gz YZOXISQOPZTFOS-NZQKXSOJSA-N 1 1 414.477 2.837 20 0 HFADMO COC(=O)[C@@]1(NC(=O)[C@H](OC)c2ccc(F)cc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001130661475 1079808849 /nfs/dbraw/zinc/80/88/49/1079808849.db2.gz YZOXISQOPZTFOS-NFBKMPQASA-N 1 1 414.477 2.837 20 0 HFADMO Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)c12 ZINC000747344139 1079907418 /nfs/dbraw/zinc/90/74/18/1079907418.db2.gz UYKDSDBGTRLMFQ-SJORKVTESA-N 1 1 411.550 2.965 20 0 HFADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)C1 ZINC000806728190 1079952497 /nfs/dbraw/zinc/95/24/97/1079952497.db2.gz LHBRVACTWVBHHW-QUCCMNQESA-N 1 1 415.578 2.643 20 0 HFADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000806729333 1079952998 /nfs/dbraw/zinc/95/29/98/1079952998.db2.gz MHCKTXVUISFBDZ-PGRDOPGGSA-N 1 1 423.557 2.557 20 0 HFADMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000806729077 1079953549 /nfs/dbraw/zinc/95/35/49/1079953549.db2.gz JAPGORNEBCHPDM-IBGZPJMESA-N 1 1 423.557 2.653 20 0 HFADMO COC(=O)c1cc(C(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)ccc1C ZINC001130733347 1079972059 /nfs/dbraw/zinc/97/20/59/1079972059.db2.gz OTVJRJZMOSQVPI-YADHBBJMSA-N 1 1 408.498 2.897 20 0 HFADMO Cc1cccnc1C(F)(F)C(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001130733392 1079972100 /nfs/dbraw/zinc/97/21/00/1079972100.db2.gz PNGHUGZYGNOKDJ-OALUTQOASA-N 1 1 401.457 2.984 20 0 HFADMO C[C@H](NC(=O)NCc1c[nH+]c2n1CCCC2)c1cc(F)ccc1N1CCC(O)CC1 ZINC000806756081 1079974175 /nfs/dbraw/zinc/97/41/75/1079974175.db2.gz SPZMIHYXFZEJIF-HNNXBMFYSA-N 1 1 415.513 2.880 20 0 HFADMO COC(=O)[C@H]1CCC[C@H](C(=O)Nc2ccc(OCCC[NH+]3CCN(C)CC3)cc2)C1 ZINC001130742355 1080006056 /nfs/dbraw/zinc/00/60/56/1080006056.db2.gz TULNEVXBVBSCSL-OALUTQOASA-N 1 1 417.550 2.621 20 0 HFADMO COC(=O)c1ccc(C(=O)Nc2ccc(OCCC[NH+]3CCN(C)CC3)cc2)cc1 ZINC001130742244 1080006133 /nfs/dbraw/zinc/00/61/33/1080006133.db2.gz OXBNWYHFNMLVPL-UHFFFAOYSA-N 1 1 411.502 2.742 20 0 HFADMO C[C@H](O)C[NH+]1CCN(C(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000806804823 1080021960 /nfs/dbraw/zinc/02/19/60/1080021960.db2.gz PMBPWENLKVPOQO-PKOBYXMFSA-N 1 1 419.566 2.804 20 0 HFADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc(Br)ncc2Cl)CC1 ZINC000806814816 1080028298 /nfs/dbraw/zinc/02/82/98/1080028298.db2.gz IDBRHBQFMOSAKM-CYBMUJFWSA-N 1 1 415.763 2.740 20 0 HFADMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3nc(Br)sc3C3CC3)C2)CC1 ZINC000806843144 1080029250 /nfs/dbraw/zinc/02/92/50/1080029250.db2.gz DQPRHYFWCXYELZ-GFCCVEGCSA-N 1 1 413.385 2.681 20 0 HFADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)c3nc(Br)sc3C3CC3)C2)CC1 ZINC000806843144 1080029261 /nfs/dbraw/zinc/02/92/61/1080029261.db2.gz DQPRHYFWCXYELZ-GFCCVEGCSA-N 1 1 413.385 2.681 20 0 HFADMO COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCC[S@@](=O)Cc2ccccc2)cc1 ZINC000806828475 1080042691 /nfs/dbraw/zinc/04/26/91/1080042691.db2.gz MVJQQVYIWBZFOS-PIIWDFAUSA-N 1 1 403.548 2.546 20 0 HFADMO O=C(Nc1ccc(N2CCNC(=O)C2)cc1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000747360261 1080055570 /nfs/dbraw/zinc/05/55/70/1080055570.db2.gz RZSUVLMEWBZKKE-NRFANRHFSA-N 1 1 410.493 2.755 20 0 HFADMO O=C(Nc1ccc(N2CCNC(=O)C2)cc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000747360261 1080055575 /nfs/dbraw/zinc/05/55/75/1080055575.db2.gz RZSUVLMEWBZKKE-NRFANRHFSA-N 1 1 410.493 2.755 20 0 HFADMO CC(C)(O)c1cccc(NC(=O)C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000806856992 1080061838 /nfs/dbraw/zinc/06/18/38/1080061838.db2.gz LXNDYAAJLZCNQG-UHFFFAOYSA-N 1 1 401.551 2.967 20 0 HFADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C(C)(C)O)c2)C1 ZINC000806897395 1080104468 /nfs/dbraw/zinc/10/44/68/1080104468.db2.gz JNQXBXRLTYJBNS-QZTJIDSGSA-N 1 1 401.551 2.966 20 0 HFADMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)[C@@H](C)C1 ZINC000806945000 1080155193 /nfs/dbraw/zinc/15/51/93/1080155193.db2.gz GRKPVRGBZRGFLQ-DLBZAZTESA-N 1 1 420.554 2.673 20 0 HFADMO C[C@H](c1ccc(NC(=O)C(=O)Nc2cccc(C(C)(C)O)c2)cc1)[NH+]1CCOCC1 ZINC000807007212 1080206910 /nfs/dbraw/zinc/20/69/10/1080206910.db2.gz CWUHCDMIHLCOKV-MRXNPFEDSA-N 1 1 411.502 2.884 20 0 HFADMO C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000807010759 1080208947 /nfs/dbraw/zinc/20/89/47/1080208947.db2.gz NLAXQERONVBYIP-IEBWSBKVSA-N 1 1 404.555 2.716 20 0 HFADMO C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000807010759 1080208955 /nfs/dbraw/zinc/20/89/55/1080208955.db2.gz NLAXQERONVBYIP-IEBWSBKVSA-N 1 1 404.555 2.716 20 0 HFADMO COc1ccc2cc(NC(=O)C(=O)N(C)CC(C)(C)C[NH+]3CCOCC3)ccc2c1 ZINC000807020378 1080215629 /nfs/dbraw/zinc/21/56/29/1080215629.db2.gz WCEMHRYPHVOYBV-UHFFFAOYSA-N 1 1 413.518 2.604 20 0 HFADMO COc1ccc(C[NH+]2CCC(CNC(=O)CSc3n[nH]c(=S)s3)CC2)cc1 ZINC000747370972 1080246536 /nfs/dbraw/zinc/24/65/36/1080246536.db2.gz VHWPOEVZGHFFAC-UHFFFAOYSA-N 1 1 424.617 2.956 20 0 HFADMO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000807084139 1080261646 /nfs/dbraw/zinc/26/16/46/1080261646.db2.gz MQUHNHFUOXLTCJ-IHPCNDPISA-N 1 1 402.539 2.817 20 0 HFADMO CS(=O)(=O)CCOc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000747373876 1080264420 /nfs/dbraw/zinc/26/44/20/1080264420.db2.gz BFOUHSMMAULJKU-FQEVSTJZSA-N 1 1 420.506 2.852 20 0 HFADMO CS(=O)(=O)CCOc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000747373876 1080264426 /nfs/dbraw/zinc/26/44/26/1080264426.db2.gz BFOUHSMMAULJKU-FQEVSTJZSA-N 1 1 420.506 2.852 20 0 HFADMO C[C@H](CNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000807088374 1080266735 /nfs/dbraw/zinc/26/67/35/1080266735.db2.gz AFTGEOKISSSQRK-DBXWQHBBSA-N 1 1 401.551 2.507 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)N1CC[C@@H](c2ccccn2)C1 ZINC000807113538 1080291173 /nfs/dbraw/zinc/29/11/73/1080291173.db2.gz FTNRBXJQUAPLGN-XZYOPWHXSA-N 1 1 420.557 2.670 20 0 HFADMO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)C1 ZINC000805276510 1080294723 /nfs/dbraw/zinc/29/47/23/1080294723.db2.gz GTXXSZKYENPHNN-GOSISDBHSA-N 1 1 414.428 2.627 20 0 HFADMO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000807189470 1080338635 /nfs/dbraw/zinc/33/86/35/1080338635.db2.gz VVWWQSQYHCMRQP-UXHICEINSA-N 1 1 402.539 2.819 20 0 HFADMO CNC(=O)CC[C@@H]1CCCCN1C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000807204117 1080350193 /nfs/dbraw/zinc/35/01/93/1080350193.db2.gz VSMOBODFIWLVMX-REWPJTCUSA-N 1 1 400.567 2.989 20 0 HFADMO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)CCCO1 ZINC000807180695 1080373540 /nfs/dbraw/zinc/37/35/40/1080373540.db2.gz LGORAJAEAURDSD-UYAOXDASSA-N 1 1 424.586 2.720 20 0 HFADMO C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)CCCO1 ZINC000807181095 1080373675 /nfs/dbraw/zinc/37/36/75/1080373675.db2.gz NVSPEQATKOPFOI-PBHICJAKSA-N 1 1 403.445 2.539 20 0 HFADMO NC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1Cl ZINC000807225134 1080384529 /nfs/dbraw/zinc/38/45/29/1080384529.db2.gz CAPFAOVJLCSVNL-KBAYOESNSA-N 1 1 412.921 2.864 20 0 HFADMO C[C@H]1CN(C(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC[N@@H+]1CCO ZINC000807288204 1080451549 /nfs/dbraw/zinc/45/15/49/1080451549.db2.gz RQQQMHGYBYLUSU-HKUYNNGSSA-N 1 1 419.566 2.804 20 0 HFADMO C[C@H]1CN(C(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC[N@H+]1CCO ZINC000807288204 1080451551 /nfs/dbraw/zinc/45/15/51/1080451551.db2.gz RQQQMHGYBYLUSU-HKUYNNGSSA-N 1 1 419.566 2.804 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000807264567 1080470779 /nfs/dbraw/zinc/47/07/79/1080470779.db2.gz SHQSBEVDXSLEPI-CVEARBPZSA-N 1 1 403.527 2.903 20 0 HFADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)OC(C)(C)C)c(OC)c2)[C@H](C)C1 ZINC000807318288 1080511228 /nfs/dbraw/zinc/51/12/28/1080511228.db2.gz ILNOIMQUMBMPDS-CQSZACIVSA-N 1 1 420.510 2.533 20 0 HFADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)OC(C)(C)C)c(OC)c2)[C@H](C)C1 ZINC000807318288 1080511234 /nfs/dbraw/zinc/51/12/34/1080511234.db2.gz ILNOIMQUMBMPDS-CQSZACIVSA-N 1 1 420.510 2.533 20 0 HFADMO Cc1ccc(N(C)[C@@H]2CCCN(C(=O)C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC000807363497 1080525617 /nfs/dbraw/zinc/52/56/17/1080525617.db2.gz IYYMMYXWBHTGKY-ZXJUBJKJSA-N 1 1 412.578 2.554 20 0 HFADMO CCOC(=O)C1C[N@@H+](Cc2ccccc2)CCC1=Nc1cccnc1C(=O)N(C)OC ZINC001170522311 1080539398 /nfs/dbraw/zinc/53/93/98/1080539398.db2.gz HYDXBGRCQGMVLL-UHFFFAOYSA-N 1 1 424.501 2.850 20 0 HFADMO CCOC(=O)C1=C(Nc2cccnc2C(=O)N(C)OC)CC[N@H+](Cc2ccccc2)C1 ZINC001170522311 1080539410 /nfs/dbraw/zinc/53/94/10/1080539410.db2.gz HYDXBGRCQGMVLL-UHFFFAOYSA-N 1 1 424.501 2.850 20 0 HFADMO CCOC(=O)C1=C(Nc2cccnc2C(=O)N(C)OC)CC[N@@H+](Cc2ccccc2)C1 ZINC001170522311 1080539415 /nfs/dbraw/zinc/53/94/15/1080539415.db2.gz HYDXBGRCQGMVLL-UHFFFAOYSA-N 1 1 424.501 2.850 20 0 HFADMO CCOC(=O)C1=C(Nc2cnc3c(c2)CN(C)C3=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001170522479 1080576953 /nfs/dbraw/zinc/57/69/53/1080576953.db2.gz LQSSICHTNUIAOR-UHFFFAOYSA-N 1 1 406.486 2.802 20 0 HFADMO CCOC(=O)C1C[N@H+](Cc2ccccc2)CCC1=Nc1cnc2c(c1)CN(C)C2=O ZINC001170522479 1080576963 /nfs/dbraw/zinc/57/69/63/1080576963.db2.gz LQSSICHTNUIAOR-UHFFFAOYSA-N 1 1 406.486 2.802 20 0 HFADMO CCOC(=O)C1C[N@@H+](Cc2ccccc2)CCC1=Nc1cnc2c(c1)CN(C)C2=O ZINC001170522479 1080576971 /nfs/dbraw/zinc/57/69/71/1080576971.db2.gz LQSSICHTNUIAOR-UHFFFAOYSA-N 1 1 406.486 2.802 20 0 HFADMO CCOC(=O)c1ncc(N=C2CC[N@H+](Cc3ccccc3)CC2C(=O)OCC)cn1 ZINC001170522451 1080577022 /nfs/dbraw/zinc/57/70/22/1080577022.db2.gz KLPPOXYFXZQBEE-UHFFFAOYSA-N 1 1 410.474 2.788 20 0 HFADMO CCOC(=O)c1ncc(NC2=C(C(=O)OCC)C[N@@H+](Cc3ccccc3)CC2)cn1 ZINC001170522451 1080577039 /nfs/dbraw/zinc/57/70/39/1080577039.db2.gz KLPPOXYFXZQBEE-UHFFFAOYSA-N 1 1 410.474 2.788 20 0 HFADMO CCOC(=O)c1ncc(NC2=C(C(=O)OCC)C[N@H+](Cc3ccccc3)CC2)cn1 ZINC001170522451 1080577049 /nfs/dbraw/zinc/57/70/49/1080577049.db2.gz KLPPOXYFXZQBEE-UHFFFAOYSA-N 1 1 410.474 2.788 20 0 HFADMO C[C@@]1(CNC(=O)C(=O)N[C@H](CCCO)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000807431468 1080591710 /nfs/dbraw/zinc/59/17/10/1080591710.db2.gz DBMOODHJEAMLHK-RDGATRHJSA-N 1 1 423.557 2.645 20 0 HFADMO C[C@@]1(CNC(=O)C(=O)N[C@@H](CCCO)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000807431466 1080591768 /nfs/dbraw/zinc/59/17/68/1080591768.db2.gz DBMOODHJEAMLHK-DHLKQENFSA-N 1 1 423.557 2.645 20 0 HFADMO Cc1cc(Br)ncc1NC(=O)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000807413513 1080612453 /nfs/dbraw/zinc/61/24/53/1080612453.db2.gz QMVKNNQZMCNWEY-UHFFFAOYSA-N 1 1 423.311 2.665 20 0 HFADMO C[C@H](NC(=O)C(=O)N(C)C1CCCCCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000807470545 1080651991 /nfs/dbraw/zinc/65/19/91/1080651991.db2.gz PYROKWVWILNCQX-UGKGYDQZSA-N 1 1 415.578 2.963 20 0 HFADMO C[C@H](NC(=O)C(=O)N(C)C1CCCCCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000807470545 1080651998 /nfs/dbraw/zinc/65/19/98/1080651998.db2.gz PYROKWVWILNCQX-UGKGYDQZSA-N 1 1 415.578 2.963 20 0 HFADMO Cc1c(C(=O)N2CCS[C@H]2C(F)(F)F)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC001130953093 1080661088 /nfs/dbraw/zinc/66/10/88/1080661088.db2.gz QOPDTAQSMRRPTB-KRWDZBQOSA-N 1 1 411.453 2.641 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N(C[C@H](C)c2ccccc2)[C@@H](C)CO)cn1 ZINC000807507398 1080709593 /nfs/dbraw/zinc/70/95/93/1080709593.db2.gz QVMUZSHCCAGLMT-IRXDYDNUSA-N 1 1 421.501 2.527 20 0 HFADMO O=C(c1nc(Br)sc1C1CC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000807481462 1080735192 /nfs/dbraw/zinc/73/51/92/1080735192.db2.gz FJIXSFSNQUMLER-LBPRGKRZSA-N 1 1 414.369 2.967 20 0 HFADMO C[C@H]1[C@H](NC(=O)C(=O)Nc2c(F)cccc2-n2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000807543666 1080760564 /nfs/dbraw/zinc/76/05/64/1080760564.db2.gz KBESXDLCMQSSRL-QFBILLFUSA-N 1 1 421.476 2.729 20 0 HFADMO COC(=O)N(C)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000807543547 1080761019 /nfs/dbraw/zinc/76/10/19/1080761019.db2.gz IQESSYBYVMTGMS-JXFKEZNVSA-N 1 1 424.501 2.607 20 0 HFADMO CN(CC(F)(F)Br)C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000807529490 1080781504 /nfs/dbraw/zinc/78/15/04/1080781504.db2.gz WGJIJMRZBMULBQ-UHFFFAOYSA-N 1 1 412.662 2.786 20 0 HFADMO COC[C@]1(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CCCN1C(=O)OC(C)(C)C ZINC000807552864 1080802579 /nfs/dbraw/zinc/80/25/79/1080802579.db2.gz CBZURPOPJBRJIW-KGVIQGDOSA-N 1 1 424.586 2.528 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c1 ZINC000807558136 1080808994 /nfs/dbraw/zinc/80/89/94/1080808994.db2.gz UAUUBIDOTLTJEF-UHFFFAOYSA-N 1 1 414.937 2.703 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000807561238 1080816297 /nfs/dbraw/zinc/81/62/97/1080816297.db2.gz YWWKSYNOGKAJIQ-IAGOWNOFSA-N 1 1 414.937 2.781 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000807561238 1080816303 /nfs/dbraw/zinc/81/63/03/1080816303.db2.gz YWWKSYNOGKAJIQ-IAGOWNOFSA-N 1 1 414.937 2.781 20 0 HFADMO OC[C@]1([NH2+]Cc2nc(CC(F)(F)F)no2)CCc2cc(Br)ccc2C1 ZINC001307928042 1126162080 /nfs/dbraw/zinc/16/20/80/1126162080.db2.gz INPUMSXTJCEPQQ-HNNXBMFYSA-N 1 1 420.229 2.947 20 0 HFADMO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)s1 ZINC001308038106 1126162673 /nfs/dbraw/zinc/16/26/73/1126162673.db2.gz IGIDXZWVGZEEIX-HOCLYGCPSA-N 1 1 422.494 2.623 20 0 HFADMO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nc(Cc3cccc(F)c3)no2)cc1OC ZINC001308116540 1126163126 /nfs/dbraw/zinc/16/31/26/1126163126.db2.gz GWHQLMJYZNPQRY-QFIPXVFZSA-N 1 1 415.465 2.900 20 0 HFADMO CCOC(=O)[C@]12CCO[C@@H]1CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164431988 718974927 /nfs/dbraw/zinc/97/49/27/718974927.db2.gz DOCJEUOGIKLENU-QPPBQGQZSA-N 1 1 422.529 2.583 20 0 HFADMO CCOC(=O)[C@]12CCO[C@@H]1CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164431988 718974930 /nfs/dbraw/zinc/97/49/30/718974930.db2.gz DOCJEUOGIKLENU-QPPBQGQZSA-N 1 1 422.529 2.583 20 0 HFADMO NC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164626653 719082698 /nfs/dbraw/zinc/08/26/98/719082698.db2.gz OXLCHXJACAOBJS-UONOGXRCSA-N 1 1 406.317 2.983 20 0 HFADMO CC(C)NS(=O)(=O)c1ccc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001164627921 719097525 /nfs/dbraw/zinc/09/75/25/719097525.db2.gz LEHKDDITCCAOKN-TZIWHRDSSA-N 1 1 414.575 2.869 20 0 HFADMO O=S(=O)(NC1CC1)c1ccc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC001164630930 719099290 /nfs/dbraw/zinc/09/92/90/719099290.db2.gz XRMXOGHILRJINI-NQIIRXRSSA-N 1 1 412.559 2.623 20 0 HFADMO O=S(=O)(NC1CC1)c1ccc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001164630929 719099322 /nfs/dbraw/zinc/09/93/22/719099322.db2.gz XRMXOGHILRJINI-GHTZIAJQSA-N 1 1 412.559 2.623 20 0 HFADMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cc2c(ncnc2Cl)n1S(=O)(=O)c1ccccc1 ZINC001164634853 719228235 /nfs/dbraw/zinc/22/82/35/719228235.db2.gz HTXKZJIPKJRZJC-KBPBESRZSA-N 1 1 419.938 2.851 20 0 HFADMO C[C@@H]1CN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)[C@@H](C)C[N@H+]1C ZINC001164634512 719237728 /nfs/dbraw/zinc/23/77/28/719237728.db2.gz MTIRJYKSJAWCHJ-CABCVRRESA-N 1 1 401.580 2.541 20 0 HFADMO COCCN1CC[N@H+](C)C2(CCN(c3nccc4cccc(Cl)c43)CC2)C1=O ZINC001164640818 719275297 /nfs/dbraw/zinc/27/52/97/719275297.db2.gz PTIPAXRSLSXHAH-UHFFFAOYSA-N 1 1 402.926 2.648 20 0 HFADMO COCCN1CC[N@@H+](C)C2(CCN(c3nccc4cccc(Cl)c43)CC2)C1=O ZINC001164640818 719275304 /nfs/dbraw/zinc/27/53/04/719275304.db2.gz PTIPAXRSLSXHAH-UHFFFAOYSA-N 1 1 402.926 2.648 20 0 HFADMO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)cc4cccc(F)c43)CC2)C1=O ZINC001164644534 719285579 /nfs/dbraw/zinc/28/55/79/719285579.db2.gz NLJSANMGSKTGDT-UHFFFAOYSA-N 1 1 420.916 2.787 20 0 HFADMO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)cc4cccc(F)c43)CC2)C1=O ZINC001164644534 719285581 /nfs/dbraw/zinc/28/55/81/719285581.db2.gz NLJSANMGSKTGDT-UHFFFAOYSA-N 1 1 420.916 2.787 20 0 HFADMO O=C1CCCN1[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)C[C@H]2CCCO[C@@H]21 ZINC001164649169 719303742 /nfs/dbraw/zinc/30/37/42/719303742.db2.gz HCLITESGOXKHIP-BLIXFSHQSA-N 1 1 418.969 2.937 20 0 HFADMO COC(=O)c1ccc2cnc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)nc2c1 ZINC001164647383 719308194 /nfs/dbraw/zinc/30/81/94/719308194.db2.gz LXFMAZBQPJMMOP-UHFFFAOYSA-N 1 1 408.506 2.818 20 0 HFADMO COC(=O)c1c(Cl)cnc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c1OC ZINC001164652072 719314192 /nfs/dbraw/zinc/31/41/92/719314192.db2.gz MVBOYRXOJBVRDP-UHFFFAOYSA-N 1 1 421.929 2.932 20 0 HFADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)Oc1cnc(Cl)cn1)CC2 ZINC001164654992 719318022 /nfs/dbraw/zinc/31/80/22/719318022.db2.gz UPBVQLZLWJKXEB-UHFFFAOYSA-N 1 1 400.861 2.956 20 0 HFADMO C[N@H+]1CCO[C@@H]2CN(c3nc(CN4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164673763 719443137 /nfs/dbraw/zinc/44/31/37/719443137.db2.gz UEJILIYTPFRYTG-DLBZAZTESA-N 1 1 413.591 2.685 20 0 HFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3OCCN(c4ncccn4)[C@H]3C2)nc1 ZINC001164692418 719801330 /nfs/dbraw/zinc/80/13/30/719801330.db2.gz OHKDXAITPLZRTE-HKBOAZHASA-N 1 1 408.550 2.903 20 0 HFADMO COC(=O)c1ncnc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c1OC ZINC001164704522 719817082 /nfs/dbraw/zinc/81/70/82/719817082.db2.gz ZCFAWOFFXSMUAW-UHFFFAOYSA-N 1 1 417.535 2.672 20 0 HFADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2cc(Cl)ccc21 ZINC001164705208 719849326 /nfs/dbraw/zinc/84/93/26/719849326.db2.gz SVULJJVJXQIGGV-QRWLVFNGSA-N 1 1 404.898 2.516 20 0 HFADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2ccc(C(C)C)cc21 ZINC001164705062 719869250 /nfs/dbraw/zinc/86/92/50/719869250.db2.gz NHJXUDSGTPHNGY-JPYJTQIMSA-N 1 1 412.534 2.986 20 0 HFADMO CC[C@H](C)c1nc2[nH]ccc2c(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164702193 719880470 /nfs/dbraw/zinc/88/04/70/719880470.db2.gz OUUPCDSFVGYMMG-WCJKSRRJSA-N 1 1 415.538 2.704 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@H]2C1 ZINC001164704294 719885646 /nfs/dbraw/zinc/88/56/46/719885646.db2.gz UZYLFYSMYNMVSX-KBMXLJTQSA-N 1 1 401.898 2.593 20 0 HFADMO NC(=O)c1cnc(Cl)cc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164695328 719887570 /nfs/dbraw/zinc/88/75/70/719887570.db2.gz OCDABCYKYXVJCT-UHFFFAOYSA-N 1 1 406.939 2.767 20 0 HFADMO CCOC(=O)c1ncnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1C ZINC001164697631 719893575 /nfs/dbraw/zinc/89/35/75/719893575.db2.gz MDAJANKLPYYDBF-UHFFFAOYSA-N 1 1 416.547 2.895 20 0 HFADMO O=C(NC1CC1)c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1 ZINC001164696719 719893877 /nfs/dbraw/zinc/89/38/77/719893877.db2.gz HRJTZUCBWOGFHT-UHFFFAOYSA-N 1 1 412.559 2.907 20 0 HFADMO CON(C)C(=O)c1cccnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164698967 719895976 /nfs/dbraw/zinc/89/59/76/719895976.db2.gz UWXRHOQLJSLYRN-UHFFFAOYSA-N 1 1 416.547 2.648 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(OC)c(OC)cc31)C2 ZINC001164814788 720085832 /nfs/dbraw/zinc/08/58/32/720085832.db2.gz WPZYZQBNTLWIFO-HXOBKFHXSA-N 1 1 412.534 2.832 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(OC)c(OC)cc31)C2 ZINC001164814797 720086447 /nfs/dbraw/zinc/08/64/47/720086447.db2.gz WPZYZQBNTLWIFO-UZUQRXQVSA-N 1 1 412.534 2.832 20 0 HFADMO CCOC(=O)c1cc2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COC)c2[nH]1 ZINC001164809060 720103278 /nfs/dbraw/zinc/10/32/78/720103278.db2.gz GNPGGEZWSISTAF-WZONZLPQSA-N 1 1 412.534 2.924 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(C(=O)NC(C)(C)C)cn1)C2 ZINC001164810046 720118133 /nfs/dbraw/zinc/11/81/33/720118133.db2.gz JIHCVVRZMUAMKH-CVDCTZTESA-N 1 1 400.567 2.795 20 0 HFADMO COCOc1ccc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164716165 720120858 /nfs/dbraw/zinc/12/08/58/720120858.db2.gz JIBMZZXWUJEWHU-HXUWFJFHSA-N 1 1 412.534 2.967 20 0 HFADMO CCOC(=O)c1cnc2cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COC)[nH]cc1-2 ZINC001164817990 720158996 /nfs/dbraw/zinc/15/89/96/720158996.db2.gz QUXITNFNJYFGHX-UZUQRXQVSA-N 1 1 412.534 2.924 20 0 HFADMO CCOC(=O)c1cnc2cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COC)[nH]cc1-2 ZINC001164817990 720159003 /nfs/dbraw/zinc/15/90/03/720159003.db2.gz QUXITNFNJYFGHX-UZUQRXQVSA-N 1 1 412.534 2.924 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)COc1cncc(Cl)n1)C2 ZINC001164816252 720174011 /nfs/dbraw/zinc/17/40/11/720174011.db2.gz KLQXVICYJXCRMN-YJBOKZPZSA-N 1 1 416.900 2.782 20 0 HFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN([C@H](F)Oc1cccc(Cl)n1)CCC2 ZINC001164813433 720224438 /nfs/dbraw/zinc/22/44/38/720224438.db2.gz MBVUMTCNTZVFOM-IBGZPJMESA-N 1 1 409.893 2.670 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc4cc(Cl)ccc43)C2)C1 ZINC001164718386 720236472 /nfs/dbraw/zinc/23/64/72/720236472.db2.gz FXGSLCXFIHNKNG-NRFANRHFSA-N 1 1 402.926 2.553 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccc4cc(Cl)ccc43)C2)C1 ZINC001164718386 720236474 /nfs/dbraw/zinc/23/64/74/720236474.db2.gz FXGSLCXFIHNKNG-NRFANRHFSA-N 1 1 402.926 2.553 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4ccc(Cl)cc4n3)C2)C1 ZINC001164720174 720265713 /nfs/dbraw/zinc/26/57/13/720265713.db2.gz RTIQBTROXIMYKK-NRFANRHFSA-N 1 1 402.926 2.553 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4ccc(Cl)cc4n3)C2)C1 ZINC001164720174 720265716 /nfs/dbraw/zinc/26/57/16/720265716.db2.gz RTIQBTROXIMYKK-NRFANRHFSA-N 1 1 402.926 2.553 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc4ccc(C)cc43)C2)C1 ZINC001164723742 720267384 /nfs/dbraw/zinc/26/73/84/720267384.db2.gz XUKFZQCEVBYOOK-QFIPXVFZSA-N 1 1 416.953 2.861 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc4ccc(C)cc43)C2)C1 ZINC001164723742 720267399 /nfs/dbraw/zinc/26/73/99/720267399.db2.gz XUKFZQCEVBYOOK-QFIPXVFZSA-N 1 1 416.953 2.861 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCn3nnc(Cn4ccnc4)c3C2)nc1 ZINC001164830555 720399647 /nfs/dbraw/zinc/39/96/47/720399647.db2.gz SCQHUWQMVCTFRN-HXUWFJFHSA-N 1 1 406.538 2.875 20 0 HFADMO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164735128 720415095 /nfs/dbraw/zinc/41/50/95/720415095.db2.gz WGISKLJWYAHQCB-WOJBJXKFSA-N 1 1 409.534 2.807 20 0 HFADMO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164725818 720418713 /nfs/dbraw/zinc/41/87/13/720418713.db2.gz BAKIIIFFDWWEPG-UNQUKWGNSA-N 1 1 403.486 2.997 20 0 HFADMO CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]21 ZINC001164828566 720420217 /nfs/dbraw/zinc/42/02/17/720420217.db2.gz XMOIKAFBXQJBEA-CEXWTWQISA-N 1 1 420.985 2.944 20 0 HFADMO CCCNC(=O)c1cc(Cl)nc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164728321 720487401 /nfs/dbraw/zinc/48/74/01/720487401.db2.gz PEMZCQSWGRRSAO-DLBZAZTESA-N 1 1 400.914 2.518 20 0 HFADMO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1N1CCCC1 ZINC001164836553 720505022 /nfs/dbraw/zinc/50/50/22/720505022.db2.gz NESCFYGSAYGFBB-PWRODBHTSA-N 1 1 409.582 2.960 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4nc[nH]c43)CC[C@@H]21 ZINC001164835298 720509408 /nfs/dbraw/zinc/50/94/08/720509408.db2.gz JTSKAXXQZPGAJL-KKUMJFAQSA-N 1 1 400.918 2.581 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3COC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835238 720524951 /nfs/dbraw/zinc/52/49/51/720524951.db2.gz JFCNAZYOJYJQJL-RLFYNMQTSA-N 1 1 402.930 2.735 20 0 HFADMO CCOC(=O)c1cnc(C)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164839981 720524988 /nfs/dbraw/zinc/52/49/88/720524988.db2.gz VCHYUDMTEUQJRB-WSTZPKSXSA-N 1 1 412.538 2.536 20 0 HFADMO CCOC(=O)Cc1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164834708 720546849 /nfs/dbraw/zinc/54/68/49/720546849.db2.gz FXHCJKAZCIVHBH-NJDAHSKKSA-N 1 1 411.550 2.762 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3[nH]c4cc(=O)[nH]c-4cc3Cl)CC[C@@H]21 ZINC001164834193 720550926 /nfs/dbraw/zinc/55/09/26/720550926.db2.gz CONKQMWFIJJUJO-VCBZYWHSSA-N 1 1 414.941 2.804 20 0 HFADMO Cc1cn(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)cn1 ZINC001164837416 720572794 /nfs/dbraw/zinc/57/27/94/720572794.db2.gz MMGWBQPUGSGXSV-SLFFLAALSA-N 1 1 406.538 2.545 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc4ncnc(Cl)c4n3)CC[C@@H]21 ZINC001164840174 720572912 /nfs/dbraw/zinc/57/29/12/720572912.db2.gz SAOMQOBXHHGGLS-VYDXJSESSA-N 1 1 412.929 2.648 20 0 HFADMO CSc1nc2sccc2c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740846 720630063 /nfs/dbraw/zinc/63/00/63/720630063.db2.gz JLBZXRNZNMAZCP-QWHCGFSZSA-N 1 1 400.533 2.545 20 0 HFADMO Clc1cc(-c2ccnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2)ccn1 ZINC001164743105 720654011 /nfs/dbraw/zinc/65/40/11/720654011.db2.gz OYNFMRNPNBNQPS-ROUUACIJSA-N 1 1 408.893 2.929 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccnc(N3CCOCC3)n1)CC2 ZINC001164844493 720699496 /nfs/dbraw/zinc/69/94/96/720699496.db2.gz SLZJWLVKRXCCDP-NRFANRHFSA-N 1 1 423.561 2.573 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(-n3ccnc3)nn1)CC2 ZINC001164841186 720702033 /nfs/dbraw/zinc/70/20/33/720702033.db2.gz ICAMYEROKZIMKZ-FQEVSTJZSA-N 1 1 404.518 2.922 20 0 HFADMO Clc1cccc(-c2cc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)ncn2)c1 ZINC001164738944 720770765 /nfs/dbraw/zinc/77/07/65/720770765.db2.gz HAKRQQGVNUXFFK-MSOLQXFVSA-N 1 1 408.893 2.929 20 0 HFADMO Cc1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164747531 720800322 /nfs/dbraw/zinc/80/03/22/720800322.db2.gz OOTNTYYLUVPAJJ-DLBZAZTESA-N 1 1 423.908 2.632 20 0 HFADMO FC(F)(N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164740889 720804866 /nfs/dbraw/zinc/80/48/66/720804866.db2.gz AQNPXEBPPQJNHW-JKSUJKDBSA-N 1 1 421.879 2.987 20 0 HFADMO Clc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C2CC2)n1 ZINC001164744879 720814881 /nfs/dbraw/zinc/81/48/81/720814881.db2.gz JEDONFGVZSBGFM-RCCFBDPRSA-N 1 1 413.957 2.978 20 0 HFADMO Fc1ccc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164752083 720814945 /nfs/dbraw/zinc/81/49/45/720814945.db2.gz YOBWCKPYXBVGNM-YRISNDGFSA-N 1 1 407.497 2.740 20 0 HFADMO Cc1cccc2c1ncnc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739203 720819186 /nfs/dbraw/zinc/81/91/86/720819186.db2.gz HRYJOIGHKGTBQF-QKNQBKEWSA-N 1 1 403.534 2.909 20 0 HFADMO F[C@H](Oc1ccnc(Cl)c1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743287 720820095 /nfs/dbraw/zinc/82/00/95/720820095.db2.gz RXDBXICLPVFXLK-HNAWSFBYSA-N 1 1 420.920 2.833 20 0 HFADMO COc1cc(Cl)ncc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738799 720821995 /nfs/dbraw/zinc/82/19/95/720821995.db2.gz GTXVKHIPTPGRDQ-GVDBMIGSSA-N 1 1 402.930 2.715 20 0 HFADMO Clc1nnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2ncccc12 ZINC001164740137 720829527 /nfs/dbraw/zinc/82/95/27/720829527.db2.gz JCLFYHCVSHXCEP-XYJFISCASA-N 1 1 424.940 2.649 20 0 HFADMO CCOC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1C ZINC001164739532 720831956 /nfs/dbraw/zinc/83/19/56/720831956.db2.gz AZFAVATVKOILMC-SFHLNBCPSA-N 1 1 424.549 2.538 20 0 HFADMO COc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2ccccc21 ZINC001164747798 720834289 /nfs/dbraw/zinc/83/42/89/720834289.db2.gz RRDOJNSFXAHDBA-WAOWUJCRSA-N 1 1 419.533 2.609 20 0 HFADMO Clc1nnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2occc21 ZINC001164742955 720838167 /nfs/dbraw/zinc/83/81/67/720838167.db2.gz HOURRFZODSEZNF-HLLBOEOZSA-N 1 1 413.913 2.847 20 0 HFADMO CCOC(=O)c1c(C)ccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748377 720840219 /nfs/dbraw/zinc/84/02/19/720840219.db2.gz UNOTVBRXVDZXGZ-XUVXKRRUSA-N 1 1 424.549 2.538 20 0 HFADMO Cc1csc2cnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc12 ZINC001164741691 720842954 /nfs/dbraw/zinc/84/29/54/720842954.db2.gz FNLHQICGCZNXAL-OKZBNKHCSA-N 1 1 409.563 2.971 20 0 HFADMO COc1nnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2ccccc21 ZINC001164748017 720846321 /nfs/dbraw/zinc/84/63/21/720846321.db2.gz SETUTENOHPLPPY-LVCYWYKZSA-N 1 1 419.533 2.609 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nc4cc(F)c(F)cc4nc3Cl)CC[C@H]2C1 ZINC001164850954 720849677 /nfs/dbraw/zinc/84/96/77/720849677.db2.gz FWIJHAKSUFHGHY-SJCJKPOMSA-N 1 1 412.868 2.735 20 0 HFADMO CCOC(=O)c1cc(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@H]3C2)nc2ccccc21 ZINC001164854963 720853292 /nfs/dbraw/zinc/85/32/92/720853292.db2.gz LWBVMJSCCSZHCN-UWJYYQICSA-N 1 1 413.518 2.585 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc(-c4ccccc4Cl)nn3)CC[C@@H]2C1 ZINC001164858318 720864962 /nfs/dbraw/zinc/86/49/62/720864962.db2.gz RWOHIABNFUDQIK-OXQOHEQNSA-N 1 1 402.926 2.971 20 0 HFADMO COc1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755744 720871970 /nfs/dbraw/zinc/87/19/70/720871970.db2.gz YOYZWJXIUDCECM-REWPJTCUSA-N 1 1 409.534 2.635 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3cc(-c4cccc(Cl)c4)ncn3)CC[C@@H]2C1 ZINC001164863833 720879045 /nfs/dbraw/zinc/87/90/45/720879045.db2.gz UUPAQJHLLIMHGY-XLIONFOSSA-N 1 1 402.926 2.971 20 0 HFADMO CCOc1ccc(-c2ccc(N3CC[C@@H]4C[N@@H+](CCOC)CCO[C@H]4C3)nn2)cc1 ZINC001164862101 720881977 /nfs/dbraw/zinc/88/19/77/720881977.db2.gz QPDNZBMFMYJDSY-KNQAVFIVSA-N 1 1 412.534 2.716 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(C)cc(OCc4ccccc4)n3)CC[C@H]2C1 ZINC001164858581 720885293 /nfs/dbraw/zinc/88/52/93/720885293.db2.gz LFJCKYKCQWBVMH-SFTDATJTSA-N 1 1 412.534 2.538 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3cc(C)nc(-c4ccc(Cl)nc4)n3)CC[C@H]2C1 ZINC001164865244 720886026 /nfs/dbraw/zinc/88/60/26/720886026.db2.gz ZCQSGXVTWNXMCQ-ROUUACIJSA-N 1 1 417.941 2.674 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCC4)CC[C@H]2C1 ZINC001164856915 720893272 /nfs/dbraw/zinc/89/32/72/720893272.db2.gz HYCCGMIYTUZOHP-KSSFIOAISA-N 1 1 415.912 2.942 20 0 HFADMO COCc1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164746511 720933014 /nfs/dbraw/zinc/93/30/14/720933014.db2.gz BFAGEHGYUOAXQM-ZJSXRUAMSA-N 1 1 423.561 2.773 20 0 HFADMO CCOC(=O)c1cc(Cl)nnc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164856201 720941891 /nfs/dbraw/zinc/94/18/91/720941891.db2.gz CQHCFUMUYFRUIQ-ZDUSSCGKSA-N 1 1 406.918 2.925 20 0 HFADMO CCOC(=O)c1nnc(Cl)cc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164859976 720954526 /nfs/dbraw/zinc/95/45/26/720954526.db2.gz OSYDYKIBQDYJJD-CYBMUJFWSA-N 1 1 406.918 2.925 20 0 HFADMO CCOC(=O)Cc1c(Cl)ncnc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164861273 720964427 /nfs/dbraw/zinc/96/44/27/720964427.db2.gz SGBKUSRJMIQGHZ-CQSZACIVSA-N 1 1 420.945 2.854 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3CO[C@@H](CNC(=O)N(C)C)[C@H]3C2)nc1 ZINC001164758293 721000176 /nfs/dbraw/zinc/00/01/76/721000176.db2.gz UWIPCZPGIMVKPH-MHTWAQMVSA-N 1 1 415.582 2.741 20 0 HFADMO CCOC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164870444 721041970 /nfs/dbraw/zinc/04/19/70/721041970.db2.gz VWHWPGPHYOVDGM-ZWKOTPCHSA-N 1 1 416.909 2.786 20 0 HFADMO Fc1c[nH]c2nc(Cl)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164866094 721045222 /nfs/dbraw/zinc/04/52/22/721045222.db2.gz CSFLFLVQTSOXFC-KGLIPLIRSA-N 1 1 402.861 2.625 20 0 HFADMO Cc1cc(Cl)nc(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164870890 721049028 /nfs/dbraw/zinc/04/90/28/721049028.db2.gz XEBDEMGDDNXALH-CVEARBPZSA-N 1 1 409.868 2.858 20 0 HFADMO O=C(c1cccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1)N1CCCCC1 ZINC001164869512 721050472 /nfs/dbraw/zinc/05/04/72/721050472.db2.gz TZZALWXPSYPRFP-SFTDATJTSA-N 1 1 421.545 2.582 20 0 HFADMO CC1(C)OCc2c1nc(Cl)nc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869988 721070239 /nfs/dbraw/zinc/07/02/39/721070239.db2.gz VBMQSTVLWWXUJI-JKSUJKDBSA-N 1 1 415.925 2.770 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(NC(=O)OC(C)(C)C)ncn4)C[C@H]3C2)cn1 ZINC001164762105 721091932 /nfs/dbraw/zinc/09/19/32/721091932.db2.gz CNDSYSFWCSRHSH-IAGOWNOFSA-N 1 1 413.526 2.515 20 0 HFADMO CCOC(=O)c1c(C)nc(Cl)cc1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164771393 721107371 /nfs/dbraw/zinc/10/73/71/721107371.db2.gz SNEAYXHVNJRNER-SJORKVTESA-N 1 1 417.941 2.912 20 0 HFADMO COc1cc2c(cc1F)ncnc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865466 721112130 /nfs/dbraw/zinc/11/21/30/721112130.db2.gz LNNABGDIHMSZLI-DLBZAZTESA-N 1 1 409.465 2.652 20 0 HFADMO COC(=O)c1cc2ccccc2nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164863459 721112691 /nfs/dbraw/zinc/11/26/91/721112691.db2.gz CIKRKHNFOAHZLN-PMACEKPBSA-N 1 1 418.497 2.896 20 0 HFADMO CCCN(CCC)c1cncc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865152 721116695 /nfs/dbraw/zinc/11/66/95/721116695.db2.gz IUAANEQOIUDHFB-RTWAWAEBSA-N 1 1 410.566 2.978 20 0 HFADMO CCCN(CCC)c1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ncn1 ZINC001164862803 721116964 /nfs/dbraw/zinc/11/69/64/721116964.db2.gz AOODYIRWYNSRKB-LEWJYISDSA-N 1 1 410.566 2.978 20 0 HFADMO C=Cc1nc(Cl)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1OC ZINC001164873659 721134463 /nfs/dbraw/zinc/13/44/63/721134463.db2.gz JWHKUJQEBRRSNQ-CVEARBPZSA-N 1 1 401.898 2.656 20 0 HFADMO COc1cc2c(cc1Cl)ncnc2N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164768983 721138361 /nfs/dbraw/zinc/13/83/61/721138361.db2.gz OOTFLMHHBBHPPL-JKSUJKDBSA-N 1 1 412.925 2.984 20 0 HFADMO CCOC(=O)c1cnc(Cl)c(C)c1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164762075 721149360 /nfs/dbraw/zinc/14/93/60/721149360.db2.gz BUIVBDYFNYJIQY-IAGOWNOFSA-N 1 1 417.941 2.912 20 0 HFADMO Cc1cc(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)nn1 ZINC001164880282 721150602 /nfs/dbraw/zinc/15/06/02/721150602.db2.gz VSDTVZOGXWQUOF-CVEARBPZSA-N 1 1 409.868 2.858 20 0 HFADMO COc1cccc(-c2ccc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nn2)c1 ZINC001164770858 721202631 /nfs/dbraw/zinc/20/26/31/721202631.db2.gz OXKNBECRBASROB-WOJBJXKFSA-N 1 1 404.518 2.844 20 0 HFADMO Cc1nc(-c2ccncc2)nc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1C ZINC001164768437 721219522 /nfs/dbraw/zinc/21/95/22/721219522.db2.gz KZSKSDTVVNTGNB-RTWAWAEBSA-N 1 1 403.534 2.847 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)C[C@@H]3C2)cn1 ZINC001164766217 721231498 /nfs/dbraw/zinc/23/14/98/721231498.db2.gz SZDKMCBRVXITPL-MOPGFXCFSA-N 1 1 405.506 2.701 20 0 HFADMO COC(=O)c1cc(Cl)c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1C ZINC001164760512 721236358 /nfs/dbraw/zinc/23/63/58/721236358.db2.gz FIRCPDFGEVWTQT-JKSUJKDBSA-N 1 1 403.914 2.522 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)cc(-c5ccncc5)n4)C[C@H]3C2)cn1 ZINC001164759521 721238027 /nfs/dbraw/zinc/23/80/27/721238027.db2.gz ARTCWASUJRNOKV-QZTJIDSGSA-N 1 1 409.925 2.884 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc(C(N)=S)c5ccsc54)C[C@@H]3C2)cn1 ZINC001164769740 721246210 /nfs/dbraw/zinc/24/62/10/721246210.db2.gz ZMABCSGZNPCXIK-GJZGRUSLSA-N 1 1 412.588 2.622 20 0 HFADMO COC(=O)c1cccc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164777415 721334265 /nfs/dbraw/zinc/33/42/65/721334265.db2.gz NBBINTIESAFVCT-JOCHJYFZSA-N 1 1 414.506 2.592 20 0 HFADMO COC(=O)c1cccc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164777415 721334268 /nfs/dbraw/zinc/33/42/68/721334268.db2.gz NBBINTIESAFVCT-JOCHJYFZSA-N 1 1 414.506 2.592 20 0 HFADMO C[N@@H+](Cc1ccc(N2C[C@H]3CN(C(=O)c4ccccc4)CCO[C@@H]3C2)nc1)C1CC1 ZINC001164890175 721351917 /nfs/dbraw/zinc/35/19/17/721351917.db2.gz ZZAOOJBWKMZRAG-IFMALSPDSA-N 1 1 406.530 2.653 20 0 HFADMO COCc1ccc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164784208 721367990 /nfs/dbraw/zinc/36/79/90/721367990.db2.gz QXIIKHZVZUUUCL-QFIPXVFZSA-N 1 1 400.523 2.952 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5ccoc54)C3)O2)CC1 ZINC001164894486 721389595 /nfs/dbraw/zinc/38/95/95/721389595.db2.gz YJMUFRRMWJRDDK-FOIQADDNSA-N 1 1 405.930 2.642 20 0 HFADMO CC(C)(C)OC(=O)Nc1nccc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164784347 721403376 /nfs/dbraw/zinc/40/33/76/721403376.db2.gz JPRWPAQMONGNGC-ZIAGYGMSSA-N 1 1 402.524 2.848 20 0 HFADMO COc1cc2nc(C)nc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c2cc1OC ZINC001164788034 721411151 /nfs/dbraw/zinc/41/11/51/721411151.db2.gz QPRHPTRQQFWYOW-GASCZTMLSA-N 1 1 411.531 2.980 20 0 HFADMO COc1cc2nc(C)nc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c2cc1OC ZINC001164788034 721411154 /nfs/dbraw/zinc/41/11/54/721411154.db2.gz QPRHPTRQQFWYOW-GASCZTMLSA-N 1 1 411.531 2.980 20 0 HFADMO Cc1cc(NC(=O)c2cccnc2N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)no1 ZINC001164780924 721424360 /nfs/dbraw/zinc/42/43/60/721424360.db2.gz BPOAWIYXFVATPE-GASCZTMLSA-N 1 1 410.503 2.655 20 0 HFADMO Cc1cc(NC(=O)c2cccnc2N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)no1 ZINC001164780924 721424361 /nfs/dbraw/zinc/42/43/61/721424361.db2.gz BPOAWIYXFVATPE-GASCZTMLSA-N 1 1 410.503 2.655 20 0 HFADMO C[C@H]1CCCN(C(=O)c2ccc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nc2)C1 ZINC001164783833 721426021 /nfs/dbraw/zinc/42/60/21/721426021.db2.gz JNJBRFJZGFAIGO-YTQUADARSA-N 1 1 411.575 2.978 20 0 HFADMO C[C@H]1CCCN(C(=O)c2ccc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nc2)C1 ZINC001164783833 721426023 /nfs/dbraw/zinc/42/60/23/721426023.db2.gz JNJBRFJZGFAIGO-YTQUADARSA-N 1 1 411.575 2.978 20 0 HFADMO CSc1cnc(Cl)c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164893644 721430280 /nfs/dbraw/zinc/43/02/80/721430280.db2.gz JSERHHUKSGDGIE-HNAYVOBHSA-N 1 1 412.003 2.617 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(C5CC5)nc5[nH]ccc54)C3)O2)CC1 ZINC001164886017 721447951 /nfs/dbraw/zinc/44/79/51/721447951.db2.gz GCSQNLUIGPFBLQ-FDDCHVKYSA-N 1 1 410.566 2.601 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3cccnc31)CC2 ZINC001164789237 721452758 /nfs/dbraw/zinc/45/27/58/721452758.db2.gz UDZIVTBRGGIVKF-IBGZPJMESA-N 1 1 411.550 2.759 20 0 HFADMO O=C(NCC1CC1)[C@@H]1C[C@H]2[C@H](CCN2c2nc(Cl)ccc2C[NH+]2CCCC2)O1 ZINC001164890831 721457772 /nfs/dbraw/zinc/45/77/72/721457772.db2.gz SRLCVLXHXIINJJ-BZSNNMDCSA-N 1 1 404.942 2.593 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3onc(C)c31)CC2 ZINC001164790613 721470161 /nfs/dbraw/zinc/47/01/61/721470161.db2.gz SGHANDQHZIZTGZ-GOSISDBHSA-N 1 1 415.538 2.660 20 0 HFADMO O=C(c1cccnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1)N1CCCC1 ZINC001164900324 721509580 /nfs/dbraw/zinc/50/95/80/721509580.db2.gz QDORNYYDWAHWKU-UYAOXDASSA-N 1 1 410.493 2.799 20 0 HFADMO COC(=O)c1ccc2ncnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1 ZINC001164899668 721518033 /nfs/dbraw/zinc/51/80/33/721518033.db2.gz LOZYZHJQHJHCRF-HKUYNNGSSA-N 1 1 422.460 2.897 20 0 HFADMO COc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1NC(C)C ZINC001164795419 721524113 /nfs/dbraw/zinc/52/41/13/721524113.db2.gz OWSAGGYISCJPPS-BJLQDIEVSA-N 1 1 412.538 2.569 20 0 HFADMO COc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1NC(C)C ZINC001164795419 721524114 /nfs/dbraw/zinc/52/41/14/721524114.db2.gz OWSAGGYISCJPPS-BJLQDIEVSA-N 1 1 412.538 2.569 20 0 HFADMO Cc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1NCC1CC1 ZINC001164796518 721524399 /nfs/dbraw/zinc/52/43/99/721524399.db2.gz ZKFXXRUJZKWJAO-QHAWAJNXSA-N 1 1 408.550 2.870 20 0 HFADMO Cc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1NCC1CC1 ZINC001164796518 721524404 /nfs/dbraw/zinc/52/44/04/721524404.db2.gz ZKFXXRUJZKWJAO-QHAWAJNXSA-N 1 1 408.550 2.870 20 0 HFADMO CCOC(=O)c1cc(F)cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164805175 721535451 /nfs/dbraw/zinc/53/54/51/721535451.db2.gz LADMBDALIPPHDL-UFYCRDLUSA-N 1 1 414.481 2.661 20 0 HFADMO CCOC(=O)c1cc(F)cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164805175 721535453 /nfs/dbraw/zinc/53/54/53/721535453.db2.gz LADMBDALIPPHDL-UFYCRDLUSA-N 1 1 414.481 2.661 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3ncccc32)[C@H]2CCCO[C@@H]12 ZINC001164802360 721535877 /nfs/dbraw/zinc/53/58/77/721535877.db2.gz GCJZMDZWEQLWED-RCCFBDPRSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3ncccc32)[C@H]2CCCO[C@@H]12 ZINC001164802360 721535880 /nfs/dbraw/zinc/53/58/80/721535880.db2.gz GCJZMDZWEQLWED-RCCFBDPRSA-N 1 1 410.909 2.941 20 0 HFADMO COC(=O)c1cc2ccncc2nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908152 721538197 /nfs/dbraw/zinc/53/81/97/721538197.db2.gz PDABEDQOTVMRKF-IEBWSBKVSA-N 1 1 422.460 2.897 20 0 HFADMO CNC(=O)c1nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1Cl ZINC001164903426 721542253 /nfs/dbraw/zinc/54/22/53/721542253.db2.gz CLTCZQUAEIVYRA-GOEBONIOSA-N 1 1 404.873 2.576 20 0 HFADMO CSc1nc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164806016 721542559 /nfs/dbraw/zinc/54/25/59/721542559.db2.gz NFNPQRVSSXEPNP-SOUVJXGZSA-N 1 1 406.943 2.510 20 0 HFADMO CSc1nc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164806016 721542562 /nfs/dbraw/zinc/54/25/62/721542562.db2.gz NFNPQRVSSXEPNP-SOUVJXGZSA-N 1 1 406.943 2.510 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ncccc3nc2Cl)[C@@H]2CCCO[C@H]21 ZINC001164804550 721552743 /nfs/dbraw/zinc/55/27/43/721552743.db2.gz KFRASMZCAUYBMK-KZNAEPCWSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ncccc3nc2Cl)[C@@H]2CCCO[C@H]21 ZINC001164804550 721552745 /nfs/dbraw/zinc/55/27/45/721552745.db2.gz KFRASMZCAUYBMK-KZNAEPCWSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)NC(C)(C)C)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164807906 721555001 /nfs/dbraw/zinc/55/50/01/721555001.db2.gz UAXKBUWLRFDRMY-KCZVDYSFSA-N 1 1 423.561 2.873 20 0 HFADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc(N5CCSCC5)ncn4)CC[N@H+]3C2)c1 ZINC001164903102 721561246 /nfs/dbraw/zinc/56/12/46/721561246.db2.gz AKRFZPWFIFPNBI-MJGOQNOKSA-N 1 1 415.538 2.511 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(=O)N3CCCC3)ccn2)[C@H]2CCCO[C@@H]12 ZINC001164802392 721568078 /nfs/dbraw/zinc/56/80/78/721568078.db2.gz IHECTZKYKXHTGK-QZNHQXDQSA-N 1 1 421.545 2.581 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCCCC3)ncn2)[C@@H]2CCCO[C@H]12 ZINC001164803943 721576125 /nfs/dbraw/zinc/57/61/25/721576125.db2.gz JWNYKBQEFPXFHD-VIZSFHNOSA-N 1 1 408.550 2.730 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccccn3)ncn2)[C@@H]2CCCO[C@@H]12 ZINC001164806143 721581037 /nfs/dbraw/zinc/58/10/37/721581037.db2.gz MBUMKELIKHPRKB-MQSCRBSSSA-N 1 1 402.502 2.802 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccccn3)ncn2)[C@@H]2CCCO[C@@H]12 ZINC001164806143 721581039 /nfs/dbraw/zinc/58/10/39/721581039.db2.gz MBUMKELIKHPRKB-MQSCRBSSSA-N 1 1 402.502 2.802 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc(-c3cccc(F)c3)n2)[C@@H]2CCCO[C@H]12 ZINC001164810779 721582431 /nfs/dbraw/zinc/58/24/31/721582431.db2.gz WDZWBYSKSQPMOW-NJYVYQBISA-N 1 1 420.492 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc(-c3cccc(F)c3)n2)[C@@H]2CCCO[C@H]12 ZINC001164810779 721582433 /nfs/dbraw/zinc/58/24/33/721582433.db2.gz WDZWBYSKSQPMOW-NJYVYQBISA-N 1 1 420.492 2.941 20 0 HFADMO NC(=O)c1cnc(Cl)cc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907511 721586476 /nfs/dbraw/zinc/58/64/76/721586476.db2.gz UZNAPEPMJUXVDH-IBGZPJMESA-N 1 1 421.879 2.967 20 0 HFADMO CN(Cc1cccnc1)[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)[C@@H]2CCCO[C@@H]12 ZINC001164811239 721589962 /nfs/dbraw/zinc/58/99/62/721589962.db2.gz WXJPDZHIWDMDBO-DNVJHFABSA-N 1 1 407.562 2.941 20 0 HFADMO COc1cc(OC)nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164903627 721693151 /nfs/dbraw/zinc/69/31/51/721693151.db2.gz AWBNOGUJCUYHRG-LJQANCHMSA-N 1 1 405.449 2.627 20 0 HFADMO FC1(F)CCN(c2ncc3c(n2)CCCN3)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906905 721704054 /nfs/dbraw/zinc/70/40/54/721704054.db2.gz PACPSYFWTKUMCB-FQEVSTJZSA-N 1 1 400.477 2.967 20 0 HFADMO CCNC(=O)c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906260 721714708 /nfs/dbraw/zinc/71/47/08/721714708.db2.gz LVWNWWAUEWYWEU-OAQYLSRUSA-N 1 1 415.488 2.964 20 0 HFADMO CNC(=O)c1cccnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907051 721714970 /nfs/dbraw/zinc/71/49/70/721714970.db2.gz PWZUPMPGGWWNKB-FQEVSTJZSA-N 1 1 401.461 2.574 20 0 HFADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3c(n1)OCC(=O)N3)C2 ZINC001164909595 721754857 /nfs/dbraw/zinc/75/48/57/721754857.db2.gz JIWGVYOQLDNYFR-UHFFFAOYSA-N 1 1 405.458 2.595 20 0 HFADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3c(n1)OCC(=O)N3)C2 ZINC001164909595 721754861 /nfs/dbraw/zinc/75/48/61/721754861.db2.gz JIWGVYOQLDNYFR-UHFFFAOYSA-N 1 1 405.458 2.595 20 0 HFADMO COc1cccc2c1ccnc2N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915669 721796729 /nfs/dbraw/zinc/79/67/29/721796729.db2.gz XKPZGWNKSQIASE-XMMPIXPASA-N 1 1 420.513 2.746 20 0 HFADMO COc1cccc2c1ccnc2N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915669 721796732 /nfs/dbraw/zinc/79/67/32/721796732.db2.gz XKPZGWNKSQIASE-XMMPIXPASA-N 1 1 420.513 2.746 20 0 HFADMO CN(C)c1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc2nc[nH]c21 ZINC001165026805 721816102 /nfs/dbraw/zinc/81/61/02/721816102.db2.gz RGGPCTAJBWQXQK-JQHSSLGASA-N 1 1 406.538 2.551 20 0 HFADMO CN1CCN(c2cccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)n2)CC1 ZINC001165025896 721817584 /nfs/dbraw/zinc/81/75/84/721817584.db2.gz ODNWZCDBFWMQMM-MDNUFGMLSA-N 1 1 420.605 2.965 20 0 HFADMO CN1CCN(c2cccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)n2)CC1 ZINC001165025896 721817585 /nfs/dbraw/zinc/81/75/85/721817585.db2.gz ODNWZCDBFWMQMM-MDNUFGMLSA-N 1 1 420.605 2.965 20 0 HFADMO CNC(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165025048 721831435 /nfs/dbraw/zinc/83/14/35/721831435.db2.gz LAFHSVFAIXSSCM-ZVZYQTTQSA-N 1 1 414.941 2.622 20 0 HFADMO CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCCN(c1ccc(C[N@@H+](C)C3CC3)cn1)C2 ZINC001164920695 721836924 /nfs/dbraw/zinc/83/69/24/721836924.db2.gz APEFEWFASFTRRY-NZQKXSOJSA-N 1 1 408.550 2.730 20 0 HFADMO COc1cc2nc(Cl)nc(N3CC[C@@H]4[C@H]3CC[N@H+]4CCN(C)C)c2cc1OC ZINC001164925758 721858623 /nfs/dbraw/zinc/85/86/23/721858623.db2.gz FXLVXZFDSDZYMU-HZPDHXFCSA-N 1 1 405.930 2.515 20 0 HFADMO COc1cc2nc(Cl)nc(N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)c2cc1OC ZINC001164925758 721858624 /nfs/dbraw/zinc/85/86/24/721858624.db2.gz FXLVXZFDSDZYMU-HZPDHXFCSA-N 1 1 405.930 2.515 20 0 HFADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ncc(NC(=O)OC(C)(C)C)c2nc[nH]c21 ZINC001164926009 721876550 /nfs/dbraw/zinc/87/65/50/721876550.db2.gz PUQFOLFHQUHXJN-HZPDHXFCSA-N 1 1 415.542 2.520 20 0 HFADMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ncc(NC(=O)OC(C)(C)C)c2nc[nH]c21 ZINC001164926009 721876552 /nfs/dbraw/zinc/87/65/52/721876552.db2.gz PUQFOLFHQUHXJN-HZPDHXFCSA-N 1 1 415.542 2.520 20 0 HFADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056340 722012497 /nfs/dbraw/zinc/01/24/97/722012497.db2.gz TULUBQUPMNJLTA-UHFFFAOYSA-N 1 1 421.954 2.788 20 0 HFADMO COC(=O)c1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)ncc1F ZINC001164962185 722054310 /nfs/dbraw/zinc/05/43/10/722054310.db2.gz AVROTJIUBLUCIY-UHFFFAOYSA-N 1 1 414.481 2.521 20 0 HFADMO CCOC(=O)Cc1ccnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001164966306 722062303 /nfs/dbraw/zinc/06/23/03/722062303.db2.gz QNXVAGBZGXIIAL-UHFFFAOYSA-N 1 1 424.545 2.701 20 0 HFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@H]4[C@@H]3CCN4C(=O)c3cscn3)c2)CC1 ZINC001164966322 722065618 /nfs/dbraw/zinc/06/56/18/722065618.db2.gz QVAGEIWKLWZGCR-OALUTQOASA-N 1 1 413.547 2.505 20 0 HFADMO Fc1ccc(Oc2nc(Cl)nc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)n2)cc1 ZINC001164966666 722073534 /nfs/dbraw/zinc/07/35/34/722073534.db2.gz FWFRSKORSGYQQH-IYBDPMFKSA-N 1 1 405.861 2.756 20 0 HFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CN(c4cnn(C)c4)C(=O)[C@@H]3C2)nc1 ZINC001164982932 722095989 /nfs/dbraw/zinc/09/59/89/722095989.db2.gz SHCGLOWWMNYQMP-CEWLAPEOSA-N 1 1 408.550 2.851 20 0 HFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(c4cnn(C)c4)C(=O)[C@H]3C2)nc1 ZINC001164982934 722096078 /nfs/dbraw/zinc/09/60/78/722096078.db2.gz SHCGLOWWMNYQMP-HLAWJBBLSA-N 1 1 408.550 2.851 20 0 HFADMO Cc1cc(N2CCCC2)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981586 722098885 /nfs/dbraw/zinc/09/88/85/722098885.db2.gz LTHSWMALDKLMKV-SFTDATJTSA-N 1 1 408.550 2.508 20 0 HFADMO Cc1cc(N2CCCC2)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981586 722098886 /nfs/dbraw/zinc/09/88/86/722098886.db2.gz LTHSWMALDKLMKV-SFTDATJTSA-N 1 1 408.550 2.508 20 0 HFADMO Cc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1N1CCCC1 ZINC001164978207 722099007 /nfs/dbraw/zinc/09/90/07/722099007.db2.gz GESKSEBFPUUXLC-NHCUHLMSSA-N 1 1 408.550 2.508 20 0 HFADMO CCOC(=O)c1ccc(C)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977254 722099126 /nfs/dbraw/zinc/09/91/26/722099126.db2.gz FKGVRFONTDBLIA-FPOVZHCZSA-N 1 1 410.518 2.689 20 0 HFADMO CCOC(=O)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1C ZINC001164986194 722099795 /nfs/dbraw/zinc/09/97/95/722099795.db2.gz YIPGDWLPYBODGF-PZJWPPBQSA-N 1 1 410.518 2.689 20 0 HFADMO FC(F)(c1ccc(Cl)nn1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980077 722105643 /nfs/dbraw/zinc/10/56/43/722105643.db2.gz JFAYCLFYZAIYGA-CVEARBPZSA-N 1 1 409.868 2.797 20 0 HFADMO Nc1cc(Cl)nc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164970930 722125855 /nfs/dbraw/zinc/12/58/55/722125855.db2.gz ASUUAMZAYUOZBO-RDJZCZTQSA-N 1 1 423.895 2.984 20 0 HFADMO CCOCc1cnc(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973371 722135736 /nfs/dbraw/zinc/13/57/36/722135736.db2.gz BZEVKRZKEWKBKA-HKUYNNGSSA-N 1 1 417.941 2.789 20 0 HFADMO COc1cccc2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164981703 722142901 /nfs/dbraw/zinc/14/29/01/722142901.db2.gz PZXITJWJEXQBAR-NQIIRXRSSA-N 1 1 405.502 2.761 20 0 HFADMO Cc1noc(-c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2)n1 ZINC001164979575 722144478 /nfs/dbraw/zinc/14/44/78/722144478.db2.gz LGECFDPDBKHJKS-VQTJNVASSA-N 1 1 406.490 2.562 20 0 HFADMO c1csc(-c2nccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)n1 ZINC001164972171 722157202 /nfs/dbraw/zinc/15/72/02/722157202.db2.gz GIWOWWJPKHJKLN-ZWKOTPCHSA-N 1 1 408.531 2.722 20 0 HFADMO NS(=O)(=O)c1cnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(Cl)c1 ZINC001164993157 722197711 /nfs/dbraw/zinc/19/77/11/722197711.db2.gz CCEGGBCMIDSVBV-LJQANCHMSA-N 1 1 424.929 2.766 20 0 HFADMO NS(=O)(=O)c1cnc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(Cl)c1 ZINC001164993157 722197713 /nfs/dbraw/zinc/19/77/13/722197713.db2.gz CCEGGBCMIDSVBV-LJQANCHMSA-N 1 1 424.929 2.766 20 0 HFADMO Cc1cccc(-c2ccc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nn2)c1 ZINC001165002265 722237511 /nfs/dbraw/zinc/23/75/11/722237511.db2.gz SJHXVNGLRCTMKN-UHFFFAOYSA-N 1 1 415.545 2.599 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000790541164 1078047451 /nfs/dbraw/zinc/04/74/51/1078047451.db2.gz ZWOVODXLFVSBKR-RDJZCZTQSA-N 1 1 411.930 2.564 20 0 HFADMO C[C@@H](CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)[N@H+]1CCCC[C@H]1C ZINC000793049997 1078056796 /nfs/dbraw/zinc/05/67/96/1078056796.db2.gz CIDXBOUMSDVWAB-OVQGTLEDSA-N 1 1 424.545 2.957 20 0 HFADMO CC(C)[N@H+]1CCCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)CC1 ZINC000790582234 1078061033 /nfs/dbraw/zinc/06/10/33/1078061033.db2.gz FGBDTDZJWKNWJG-UHFFFAOYSA-N 1 1 407.316 2.978 20 0 HFADMO O=C(COC(=O)c1cccc(Br)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000793077019 1078063375 /nfs/dbraw/zinc/06/33/75/1078063375.db2.gz ZISSROVNKLOHMU-UHFFFAOYSA-N 1 1 417.303 2.950 20 0 HFADMO CCOC(=O)N1CC[C@@H]([NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000793085516 1078064426 /nfs/dbraw/zinc/06/44/26/1078064426.db2.gz NPCMTTTWFGETII-SECBINFHSA-N 1 1 410.202 2.890 20 0 HFADMO Cc1ccc(CCC[N@H+]2CCC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)cn1 ZINC000793089541 1078066104 /nfs/dbraw/zinc/06/61/04/1078066104.db2.gz VONYXTHOTUNDOJ-FQEVSTJZSA-N 1 1 416.566 2.866 20 0 HFADMO Cn1ccnc1CN1CCC[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1=O ZINC000790573381 1078066616 /nfs/dbraw/zinc/06/66/16/1078066616.db2.gz LBBASLSQDVOJCX-GOSISDBHSA-N 1 1 412.925 2.599 20 0 HFADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@]1(C)CCN(C(=O)OCc2ccccc2)C1 ZINC000793091120 1078066918 /nfs/dbraw/zinc/06/69/18/1078066918.db2.gz HYXGUXBTAGNBGV-GTCCEBARSA-N 1 1 400.523 2.570 20 0 HFADMO CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)ccc1F ZINC000790575474 1078067041 /nfs/dbraw/zinc/06/70/41/1078067041.db2.gz HDSUPOLHHMZFNN-GOSISDBHSA-N 1 1 413.559 2.706 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000790577158 1078067077 /nfs/dbraw/zinc/06/70/77/1078067077.db2.gz RTGVTJGLXGKEQF-KRWDZBQOSA-N 1 1 413.971 2.730 20 0 HFADMO CC1(C)C[N@H+](C2(CNC(=O)[C@@H]3CC(c4cccnc4)=NO3)CCCCC2)CCO1 ZINC000790607563 1078074033 /nfs/dbraw/zinc/07/40/33/1078074033.db2.gz WZWRMPJVABOPIM-IBGZPJMESA-N 1 1 400.523 2.505 20 0 HFADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793121256 1078070355 /nfs/dbraw/zinc/07/03/55/1078070355.db2.gz RUOPVYLYYZSZHE-XPGWFJOJSA-N 1 1 421.501 2.536 20 0 HFADMO O=C(COC(=O)c1cnc(Cl)c(Cl)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000793109164 1078081371 /nfs/dbraw/zinc/08/13/71/1078081371.db2.gz STFAEYSYEJLLHX-UHFFFAOYSA-N 1 1 408.285 2.890 20 0 HFADMO COCC1(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793167654 1078089694 /nfs/dbraw/zinc/08/96/94/1078089694.db2.gz HALBZZKMIIFZBK-ZWKOTPCHSA-N 1 1 411.587 2.887 20 0 HFADMO O=C1C(=O)N(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C(=O)N1CCC1=CCCCC1 ZINC000772828643 1078093887 /nfs/dbraw/zinc/09/38/87/1078093887.db2.gz NZWIDKPKCTVIGN-UYAOXDASSA-N 1 1 414.550 2.574 20 0 HFADMO C[C@H](NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1nnnn1C1CC1 ZINC000790721312 1078108373 /nfs/dbraw/zinc/10/83/73/1078108373.db2.gz IFYQMRGZKVRMDS-JTSKRJEESA-N 1 1 409.538 2.767 20 0 HFADMO C[C@H]1C[C@@H](C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)CCN1C(=O)OC(C)(C)C ZINC000793255662 1078111763 /nfs/dbraw/zinc/11/17/63/1078111763.db2.gz RFGVJWMRBTWXAC-GBESFXJTSA-N 1 1 409.571 2.735 20 0 HFADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC000793292106 1078120170 /nfs/dbraw/zinc/12/01/70/1078120170.db2.gz YNUOGYCGTKCWAY-HOTGVXAUSA-N 1 1 400.425 2.789 20 0 HFADMO C[C@]1([NH2+]Cc2cn(Cc3cccnc3)nn2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793343456 1078131204 /nfs/dbraw/zinc/13/12/04/1078131204.db2.gz MELZVUGDXBKFHW-QFIPXVFZSA-N 1 1 406.490 2.612 20 0 HFADMO CC(C)OCC[NH+]1CCN(C(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000793407873 1078157656 /nfs/dbraw/zinc/15/76/56/1078157656.db2.gz DNITUCVQQWREJL-UHFFFAOYSA-N 1 1 424.586 2.696 20 0 HFADMO O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790884018 1078170272 /nfs/dbraw/zinc/17/02/72/1078170272.db2.gz QJDNVUARFYAXNN-SRUXOGRHSA-N 1 1 404.514 2.992 20 0 HFADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N(CCc3ccccc3)C3CC3)cc2)CC1 ZINC000746946876 1078170296 /nfs/dbraw/zinc/17/02/96/1078170296.db2.gz CKBSRIPESXAKSR-UHFFFAOYSA-N 1 1 420.557 2.991 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000793434271 1078171836 /nfs/dbraw/zinc/17/18/36/1078171836.db2.gz IURIUZSAHWZDEZ-INIZCTEOSA-N 1 1 416.526 2.552 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000793515593 1078197369 /nfs/dbraw/zinc/19/73/69/1078197369.db2.gz PERRSBZBJUUGJF-OAHLLOKOSA-N 1 1 404.515 2.502 20 0 HFADMO Cc1nc(SC(F)F)sc1CC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000793492516 1078201166 /nfs/dbraw/zinc/20/11/66/1078201166.db2.gz VBKSYAPTFFMAPC-GFCCVEGCSA-N 1 1 404.552 2.593 20 0 HFADMO Cc1nc(SC(F)F)sc1CC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000793492516 1078201170 /nfs/dbraw/zinc/20/11/70/1078201170.db2.gz VBKSYAPTFFMAPC-GFCCVEGCSA-N 1 1 404.552 2.593 20 0 HFADMO CC(C)COC(=O)N1CCC(C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000793504338 1078205306 /nfs/dbraw/zinc/20/53/06/1078205306.db2.gz ISRCERIUADEAII-OAQYLSRUSA-N 1 1 401.551 2.876 20 0 HFADMO CC(C)COC(=O)N1CCC(C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000793504338 1078205310 /nfs/dbraw/zinc/20/53/10/1078205310.db2.gz ISRCERIUADEAII-OAQYLSRUSA-N 1 1 401.551 2.876 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@H](NC(=O)c2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001170434865 1078210473 /nfs/dbraw/zinc/21/04/73/1078210473.db2.gz ANHDWUKFASBZDX-MXBUBSDBSA-N 1 1 423.513 2.793 20 0 HFADMO C[N@@H+](Cc1cccc(I)c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000793577864 1078213232 /nfs/dbraw/zinc/21/32/32/1078213232.db2.gz BODZIFVMRLBZDA-LBPRGKRZSA-N 1 1 412.193 2.886 20 0 HFADMO COC(=O)c1ccccc1CC1CC[NH+](CN2C(=O)N[C@@](C)(C(C)C)C2=O)CC1 ZINC000793604362 1078221509 /nfs/dbraw/zinc/22/15/09/1078221509.db2.gz ACLOIKLLNLKVGO-QFIPXVFZSA-N 1 1 401.507 2.652 20 0 HFADMO C[N@@H+]1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604147 1078221914 /nfs/dbraw/zinc/22/19/14/1078221914.db2.gz OOVNIUMXXBGQSR-TZIWHRDSSA-N 1 1 419.566 2.885 20 0 HFADMO C[N@H+]1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604147 1078221916 /nfs/dbraw/zinc/22/19/16/1078221916.db2.gz OOVNIUMXXBGQSR-TZIWHRDSSA-N 1 1 419.566 2.885 20 0 HFADMO CC(C)(C)OC(=O)N1CCC2(CC[N@H+](Cc3cn(Cc4cccnc4)nn3)C2)CC1 ZINC000793605301 1078222311 /nfs/dbraw/zinc/22/23/11/1078222311.db2.gz PJBLFJXUVXFZCN-UHFFFAOYSA-N 1 1 412.538 2.944 20 0 HFADMO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+](Cc3cn(Cc4cccnc4)nn3)C2)CC1 ZINC000793605301 1078222313 /nfs/dbraw/zinc/22/23/13/1078222313.db2.gz PJBLFJXUVXFZCN-UHFFFAOYSA-N 1 1 412.538 2.944 20 0 HFADMO CCOCc1cc(CN2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)ccc1OC ZINC000793604924 1078222502 /nfs/dbraw/zinc/22/25/02/1078222502.db2.gz SIYPZTXCGYSWMX-IBGZPJMESA-N 1 1 407.555 2.872 20 0 HFADMO CCOCc1cc(CN2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)ccc1OC ZINC000793604924 1078222504 /nfs/dbraw/zinc/22/25/04/1078222504.db2.gz SIYPZTXCGYSWMX-IBGZPJMESA-N 1 1 407.555 2.872 20 0 HFADMO COC(=O)c1ccccc1CC1CC[NH+](CN2C(=O)C[C@@]3(CCSC3)C2=O)CC1 ZINC000793607923 1078223969 /nfs/dbraw/zinc/22/39/69/1078223969.db2.gz SUOMEWIFDOXASC-JOCHJYFZSA-N 1 1 416.543 2.567 20 0 HFADMO Fc1ccc(-n2c(C[NH+]3CCCCC3)nn(CN3CCO[C@H]4C[C@H]43)c2=S)cc1 ZINC000793612890 1078228189 /nfs/dbraw/zinc/22/81/89/1078228189.db2.gz JDRATDJDMOXBQZ-MSOLQXFVSA-N 1 1 403.527 2.959 20 0 HFADMO C[C@H](O)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000793648277 1078241060 /nfs/dbraw/zinc/24/10/60/1078241060.db2.gz FYPUZFOJBCTAIZ-NPPFBWRTSA-N 1 1 409.530 2.525 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H](O)c1ccccc1C(F)(F)F ZINC000793666756 1078245512 /nfs/dbraw/zinc/24/55/12/1078245512.db2.gz XFUXVPXDEJZBGL-HNNXBMFYSA-N 1 1 407.396 2.705 20 0 HFADMO O=C(NCc1ccn(-c2ccccc2)n1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000793654715 1078258316 /nfs/dbraw/zinc/25/83/16/1078258316.db2.gz LGNCXGWXCJQEOO-UHFFFAOYSA-N 1 1 423.561 2.603 20 0 HFADMO C[C@H](O)c1ccc(CNC(=O)C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793658070 1078259639 /nfs/dbraw/zinc/25/96/39/1078259639.db2.gz ZVANOMUSLKCLOG-IPJJNNNSSA-N 1 1 423.557 2.773 20 0 HFADMO COCc1nn(CN2CC[N@@H+](CCCc3ccccc3)C[C@H]2CC(C)C)c(=O)o1 ZINC000793726698 1078268125 /nfs/dbraw/zinc/26/81/25/1078268125.db2.gz YJGSACHARNLQAR-HXUWFJFHSA-N 1 1 402.539 2.605 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000793697862 1078272542 /nfs/dbraw/zinc/27/25/42/1078272542.db2.gz RZKUVOLWBJYARJ-DYXWJJEUSA-N 1 1 409.530 2.739 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H](C)COc2ccccc2)cc1F ZINC000793706187 1078276360 /nfs/dbraw/zinc/27/63/60/1078276360.db2.gz YKFLFIFKVCTWDQ-OAHLLOKOSA-N 1 1 410.449 2.520 20 0 HFADMO C[N@H+]1CCCC12CCN(C(=O)c1cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c1)CC2 ZINC000793762408 1078280514 /nfs/dbraw/zinc/28/05/14/1078280514.db2.gz LJVAYGNDTRXKSE-BGYRXZFFSA-N 1 1 422.529 2.665 20 0 HFADMO C[NH+]1CCN([C@H](CNC(=O)C(=O)NCC2CCCCCCC2)c2cccs2)CC1 ZINC000793749919 1078290855 /nfs/dbraw/zinc/29/08/55/1078290855.db2.gz NMJMHMRJENPNEU-LJQANCHMSA-N 1 1 420.623 2.630 20 0 HFADMO CCN(Cc1ccccc1Cl)C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000793799576 1078301570 /nfs/dbraw/zinc/30/15/70/1078301570.db2.gz AEDYJRWVWMPNJS-UHFFFAOYSA-N 1 1 411.893 2.894 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000793805484 1078304123 /nfs/dbraw/zinc/30/41/23/1078304123.db2.gz OOSAWPPWXMTAQU-CYBMUJFWSA-N 1 1 413.428 2.690 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000793804856 1078304743 /nfs/dbraw/zinc/30/47/43/1078304743.db2.gz ZXHKOBYGNWPXTD-DYESRHJHSA-N 1 1 417.513 2.844 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(Cc1ccccc1)CC(C)C ZINC000793807343 1078305529 /nfs/dbraw/zinc/30/55/29/1078305529.db2.gz YYQKZGJVYCCMLN-UHFFFAOYSA-N 1 1 405.502 2.877 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000793792515 1078298368 /nfs/dbraw/zinc/29/83/68/1078298368.db2.gz PIYUFKCKGXFTIJ-IPJJNNNSSA-N 1 1 409.530 2.515 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793796163 1078300432 /nfs/dbraw/zinc/30/04/32/1078300432.db2.gz XHJVTZUETQELLQ-PZJWPPBQSA-N 1 1 409.530 2.517 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000793780908 1078310271 /nfs/dbraw/zinc/31/02/71/1078310271.db2.gz PCFHMALELYYTHV-JTAQYXEDSA-N 1 1 423.557 2.905 20 0 HFADMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCc2ccccc2OC1 ZINC000793839375 1078311112 /nfs/dbraw/zinc/31/11/12/1078311112.db2.gz CVPNVWCIJLLFLK-IRLDBZIGSA-N 1 1 421.541 2.525 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000793812046 1078314817 /nfs/dbraw/zinc/31/48/17/1078314817.db2.gz ZLFXNPMFNJORBR-GMGKOPGTSA-N 1 1 415.497 2.896 20 0 HFADMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc3c2CCCN3C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000793876459 1078331840 /nfs/dbraw/zinc/33/18/40/1078331840.db2.gz WVLYWQZSMMXGIL-DLBZAZTESA-N 1 1 417.550 2.901 20 0 HFADMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc3c2CCCN3C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000793876459 1078331844 /nfs/dbraw/zinc/33/18/44/1078331844.db2.gz WVLYWQZSMMXGIL-DLBZAZTESA-N 1 1 417.550 2.901 20 0 HFADMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H](C)c1nc2ccccc2s1 ZINC000793913272 1078336477 /nfs/dbraw/zinc/33/64/77/1078336477.db2.gz QQFAFNLOTXTJLR-FZKCQIBNSA-N 1 1 402.564 2.956 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H](NC(=O)c2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001170439929 1078342029 /nfs/dbraw/zinc/34/20/29/1078342029.db2.gz ANHDWUKFASBZDX-UGTOYMOASA-N 1 1 423.513 2.793 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000793886145 1078342761 /nfs/dbraw/zinc/34/27/61/1078342761.db2.gz IABLKVNUNCSWPW-CJNGLKHVSA-N 1 1 416.526 2.598 20 0 HFADMO Cc1cc([C@H]2CCCN2C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)no1 ZINC000793899411 1078343778 /nfs/dbraw/zinc/34/37/78/1078343778.db2.gz IZQIRJOVEQBMBF-LJQANCHMSA-N 1 1 411.437 2.596 20 0 HFADMO Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]2CCCC[C@@]2(C)NC(=O)OC(C)(C)C)CC1 ZINC000793952571 1078345735 /nfs/dbraw/zinc/34/57/35/1078345735.db2.gz PTQKGONKZJTGEB-HTAPYJJXSA-N 1 1 419.570 2.979 20 0 HFADMO COCC1(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793982842 1078356043 /nfs/dbraw/zinc/35/60/43/1078356043.db2.gz QUGAXSNJFQHBGC-QGZVFWFLSA-N 1 1 411.587 2.887 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCOC[C@]2(CC[C@@H](Cn3cccn3)O2)C1 ZINC001170441705 1078356667 /nfs/dbraw/zinc/35/66/67/1078356667.db2.gz JTHDDWKLXRANKV-JTAQYXEDSA-N 1 1 413.518 2.883 20 0 HFADMO O=C(COC(=O)c1cc2c(s1)CCCC2)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000793986544 1078356771 /nfs/dbraw/zinc/35/67/71/1078356771.db2.gz TVPNFGIYADRPMV-UHFFFAOYSA-N 1 1 420.575 2.935 20 0 HFADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H](C)N3CCc4ccccc43)cc2)CC1 ZINC000747165323 1078358843 /nfs/dbraw/zinc/35/88/43/1078358843.db2.gz UHZFKKVSFQKXMC-SFHVURJKSA-N 1 1 406.530 2.854 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCC[C@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001170443290 1078375715 /nfs/dbraw/zinc/37/57/15/1078375715.db2.gz OYXNCFZIGSCMTR-MBSDFSHPSA-N 1 1 410.518 2.989 20 0 HFADMO C[NH+]1CCN([C@@H](C(=O)Nc2ccc(F)c(N3CCOC3=O)c2)c2ccccc2)CC1 ZINC000794109090 1078373427 /nfs/dbraw/zinc/37/34/27/1078373427.db2.gz RWVOMNSCCOFXQJ-HXUWFJFHSA-N 1 1 412.465 2.710 20 0 HFADMO CON(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cc1 ZINC000794220556 1078385818 /nfs/dbraw/zinc/38/58/18/1078385818.db2.gz GLTRPYHMEYHOER-UHFFFAOYSA-N 1 1 411.911 2.836 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1c(C)noc1C ZINC001170444685 1078391184 /nfs/dbraw/zinc/39/11/84/1078391184.db2.gz UGHVDAKQEQOOFE-NOXFTYBFSA-N 1 1 413.518 2.926 20 0 HFADMO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)Nc3ccc(CC[NH+]4CCOCC4)cc3)[C@H]2C1 ZINC000794244816 1078391324 /nfs/dbraw/zinc/39/13/24/1078391324.db2.gz PSZMAIRDDVVLGO-PMOLBWCYSA-N 1 1 415.534 2.613 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001170443959 1078391939 /nfs/dbraw/zinc/39/19/39/1078391939.db2.gz SATLEKJWJASPPC-CVDCTZTESA-N 1 1 410.518 2.898 20 0 HFADMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000794256554 1078392898 /nfs/dbraw/zinc/39/28/98/1078392898.db2.gz HNJCGWHUGKAFNP-INIZCTEOSA-N 1 1 413.559 2.851 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@H]2[C@@H](CC(=O)NCC3CC3)OC[C@H]2C1 ZINC001170445120 1078401834 /nfs/dbraw/zinc/40/18/34/1078401834.db2.gz VSRHJYBANSXYLU-XAPVIXHLSA-N 1 1 414.546 2.990 20 0 HFADMO CCCc1nc(C)c(C[N@H+]2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)o1 ZINC000794319442 1078412706 /nfs/dbraw/zinc/41/27/06/1078412706.db2.gz HHRNWQLWZPSEGN-MRXNPFEDSA-N 1 1 408.543 2.788 20 0 HFADMO CC[NH+]1CCN(c2ccc(C(=O)N(CCO)Cc3cccnc3Cl)cc2F)CC1 ZINC000794333283 1078417340 /nfs/dbraw/zinc/41/73/40/1078417340.db2.gz ZFJFSGJASUTWSV-UHFFFAOYSA-N 1 1 420.916 2.651 20 0 HFADMO CC(C)[N@H+]1CCCN([C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1 ZINC000794348904 1078421859 /nfs/dbraw/zinc/42/18/59/1078421859.db2.gz YSVKPOQFGYFVEH-GOSISDBHSA-N 1 1 412.534 2.953 20 0 HFADMO CC(C)C[N@H+]1CCO[C@H](COC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)C1 ZINC000794387188 1078433348 /nfs/dbraw/zinc/43/33/48/1078433348.db2.gz WOLQMHQQSKWWGL-MSOLQXFVSA-N 1 1 408.926 2.589 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH+]1CCN(Cc2nc3ccccc3s2)CC1 ZINC000794402108 1078435994 /nfs/dbraw/zinc/43/59/94/1078435994.db2.gz WFRQJXZMMDWNSM-MRXNPFEDSA-N 1 1 420.579 2.690 20 0 HFADMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000804420306 1078469349 /nfs/dbraw/zinc/46/93/49/1078469349.db2.gz GSBDNXGQVNXNSK-ZFWWWQNUSA-N 1 1 401.429 2.753 20 0 HFADMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc1 ZINC001170460647 1078475739 /nfs/dbraw/zinc/47/57/39/1078475739.db2.gz QYIPGWAODUFKPM-CDXJDZJCSA-N 1 1 422.529 2.910 20 0 HFADMO CCOc1ccc(-c2noc(CCC(=O)N(C)C(C)(C)C[NH+]3CCOCC3)n2)cc1 ZINC001129773541 1078484195 /nfs/dbraw/zinc/48/41/95/1078484195.db2.gz PSWFZAPFCHIOFP-UHFFFAOYSA-N 1 1 416.522 2.637 20 0 HFADMO CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(OC)c(C(=O)OC)cc1Br)C(C)C ZINC001170460863 1078488318 /nfs/dbraw/zinc/48/83/18/1078488318.db2.gz VDXGFMGALAUYHO-INIZCTEOSA-N 1 1 415.328 2.837 20 0 HFADMO CCCN(CC[NH+]1CCCC1)C(=O)c1cccc(I)c1O ZINC000804442985 1078508850 /nfs/dbraw/zinc/50/88/50/1078508850.db2.gz SWHCZNUXFIQZSS-UHFFFAOYSA-N 1 1 402.276 2.945 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CCN1C(=O)OC(C)(C)C ZINC001129813802 1078511780 /nfs/dbraw/zinc/51/17/80/1078511780.db2.gz VBFMLSLRSUFOFB-VAMGGRTRSA-N 1 1 417.550 2.649 20 0 HFADMO CCc1nn(C)c(Cl)c1C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804446613 1078513180 /nfs/dbraw/zinc/51/31/80/1078513180.db2.gz LSIJIIWYQGXEQX-GOSISDBHSA-N 1 1 415.969 2.668 20 0 HFADMO C[C@H]1Oc2ccccc2N(CCC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC001129828191 1078522264 /nfs/dbraw/zinc/52/22/64/1078522264.db2.gz GTYBPYRSXHYGIU-RBUKOAKNSA-N 1 1 407.514 2.924 20 0 HFADMO C[C@H]1Oc2ccccc2N(CCC(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC001129828191 1078522270 /nfs/dbraw/zinc/52/22/70/1078522270.db2.gz GTYBPYRSXHYGIU-RBUKOAKNSA-N 1 1 407.514 2.924 20 0 HFADMO C[N@@H+](CCCCNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)C1CC1 ZINC001129515314 1078527863 /nfs/dbraw/zinc/52/78/63/1078527863.db2.gz IHYOAMPQRDRYQJ-UHFFFAOYSA-N 1 1 407.580 2.856 20 0 HFADMO C[N@@H+](CCCCNC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)C1CC1 ZINC001129516182 1078528721 /nfs/dbraw/zinc/52/87/21/1078528721.db2.gz DCWDOYXQSPWXSS-XMMPIXPASA-N 1 1 422.529 2.597 20 0 HFADMO Cc1ccccc1[C@H](O)C1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804509700 1078544932 /nfs/dbraw/zinc/54/49/32/1078544932.db2.gz BZWJRWFQOPRJAV-NOZRDPDXSA-N 1 1 408.542 2.904 20 0 HFADMO C[NH+](C)Cc1cc(C(=O)N(CC2CCOCC2)c2ccc(Br)cn2)no1 ZINC001129534706 1078547776 /nfs/dbraw/zinc/54/77/76/1078547776.db2.gz YRXTZMLXWZCQLW-UHFFFAOYSA-N 1 1 423.311 2.967 20 0 HFADMO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000804524017 1078563367 /nfs/dbraw/zinc/56/33/67/1078563367.db2.gz HJRCYPAADCRIRB-BRWVUGGUSA-N 1 1 417.554 2.833 20 0 HFADMO C[C@]1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CCNC(=O)C1 ZINC001129564791 1078558490 /nfs/dbraw/zinc/55/84/90/1078558490.db2.gz ZKGOUKVUXRTVBK-IMSXRSKXSA-N 1 1 409.505 2.826 20 0 HFADMO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC001129571262 1078563807 /nfs/dbraw/zinc/56/38/07/1078563807.db2.gz CKQFHNLCORNPBR-MRXNPFEDSA-N 1 1 404.536 2.667 20 0 HFADMO CN(C)S(=O)(=O)c1cc(C(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)ccc1Cl ZINC000804530211 1078567496 /nfs/dbraw/zinc/56/74/96/1078567496.db2.gz AQQVDVRBOPSRJS-UHFFFAOYSA-N 1 1 421.950 2.547 20 0 HFADMO CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804533993 1078571388 /nfs/dbraw/zinc/57/13/88/1078571388.db2.gz LGMHKXRJQRWYGR-HSZRJFAPSA-N 1 1 417.550 2.652 20 0 HFADMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@]1(c2ccccc2)CNC(=O)C1 ZINC001129599593 1078573734 /nfs/dbraw/zinc/57/37/34/1078573734.db2.gz NRFKBWHOCQIWLU-OFVILXPXSA-N 1 1 405.542 2.863 20 0 HFADMO O=C(COC(=O)c1ccc2c(c1)CCCC2)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000804744406 1078579261 /nfs/dbraw/zinc/57/92/61/1078579261.db2.gz MTKFVEUQZMYKCZ-UHFFFAOYSA-N 1 1 414.546 2.874 20 0 HFADMO CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000804536701 1078584472 /nfs/dbraw/zinc/58/44/72/1078584472.db2.gz ZOJSUKKGWIXXQQ-PXNSSMCTSA-N 1 1 411.468 2.814 20 0 HFADMO CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804536701 1078584476 /nfs/dbraw/zinc/58/44/76/1078584476.db2.gz ZOJSUKKGWIXXQQ-PXNSSMCTSA-N 1 1 411.468 2.814 20 0 HFADMO CN(C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000804563347 1078597115 /nfs/dbraw/zinc/59/71/15/1078597115.db2.gz NXQOSKQERMDVNS-XYPWUTKMSA-N 1 1 405.955 2.971 20 0 HFADMO O=C(N1CCC[C@@H](n2ccnn2)C1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001129933250 1078598415 /nfs/dbraw/zinc/59/84/15/1078598415.db2.gz QZLJJUZQCZGYOH-IEBWSBKVSA-N 1 1 407.440 2.896 20 0 HFADMO CC(C)(C)n1ncc2c1ncnc2N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804807093 1078636887 /nfs/dbraw/zinc/63/68/87/1078636887.db2.gz ATRWXGGYBWPXBF-HXUWFJFHSA-N 1 1 419.577 2.978 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000804828794 1078667685 /nfs/dbraw/zinc/66/76/85/1078667685.db2.gz ANCDTOSPDUIQBK-UGKGYDQZSA-N 1 1 422.573 2.786 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000804832769 1078672245 /nfs/dbraw/zinc/67/22/45/1078672245.db2.gz VDMAXVZPLRTYRD-NRFANRHFSA-N 1 1 408.546 2.540 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(c3ccnc4cc(F)cnc43)C2)CC1 ZINC000804833979 1078676571 /nfs/dbraw/zinc/67/65/71/1078676571.db2.gz RKFADZBLMIERHV-MRXNPFEDSA-N 1 1 401.486 2.900 20 0 HFADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2n[nH]nc2C(=O)NC2CC2)c1 ZINC001129738246 1078686449 /nfs/dbraw/zinc/68/64/49/1078686449.db2.gz BNWSTFKGNONPHM-UHFFFAOYSA-N 1 1 404.474 2.581 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N(C)CCC[N@@H+](C)Cc3ccco3)C2)c1 ZINC000804868108 1078692342 /nfs/dbraw/zinc/69/23/42/1078692342.db2.gz VVUQBRNFHUTESN-NRFANRHFSA-N 1 1 415.490 2.770 20 0 HFADMO Cc1noc(C)c1CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000804642918 1078695420 /nfs/dbraw/zinc/69/54/20/1078695420.db2.gz AAFXOGQGVOZKFZ-OXQOHEQNSA-N 1 1 412.534 2.510 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)C1 ZINC000804906501 1078728908 /nfs/dbraw/zinc/72/89/08/1078728908.db2.gz KQICKLPBSONRFT-PXAZEXFGSA-N 1 1 419.469 2.632 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)C1 ZINC000804906501 1078728915 /nfs/dbraw/zinc/72/89/15/1078728915.db2.gz KQICKLPBSONRFT-PXAZEXFGSA-N 1 1 419.469 2.632 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000804896628 1078752785 /nfs/dbraw/zinc/75/27/85/1078752785.db2.gz SHOQYGYIIYDHDV-LIRRHRJNSA-N 1 1 413.440 2.570 20 0 HFADMO Cc1ccccc1[C@@H](O)C1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000804902261 1078757938 /nfs/dbraw/zinc/75/79/38/1078757938.db2.gz ZKPPYNXFHNNODB-VXKWHMMOSA-N 1 1 403.567 2.807 20 0 HFADMO Cc1nc(S(=O)(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c(Br)n1C ZINC000804963399 1078801444 /nfs/dbraw/zinc/80/14/44/1078801444.db2.gz UTMKUXWLSXRZDE-SCRDCRAPSA-N 1 1 419.389 2.517 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804970710 1078806084 /nfs/dbraw/zinc/80/60/84/1078806084.db2.gz SXNRMOFJQDQJIT-APWZRJJASA-N 1 1 413.440 2.788 20 0 HFADMO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000805119039 1078902318 /nfs/dbraw/zinc/90/23/18/1078902318.db2.gz HFJPTVCRRBZNRD-QFBILLFUSA-N 1 1 413.440 2.788 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000805121362 1078912557 /nfs/dbraw/zinc/91/25/57/1078912557.db2.gz OTZPIZZLNMDAQV-HBYKMFCXSA-N 1 1 406.479 2.593 20 0 HFADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000747231057 1078944313 /nfs/dbraw/zinc/94/43/13/1078944313.db2.gz DXXSMHIEONZCBX-FPOVZHCZSA-N 1 1 406.486 2.506 20 0 HFADMO CCc1ccc([C@H](O)CNC(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000805149301 1078946166 /nfs/dbraw/zinc/94/61/66/1078946166.db2.gz BKJRRXNJBVFBES-AUSIDOKSSA-N 1 1 410.562 2.792 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@H]32)ccc1F ZINC000747228765 1078951769 /nfs/dbraw/zinc/95/17/69/1078951769.db2.gz LAQOOUKDNFZDAK-YLJYHZDGSA-N 1 1 418.490 2.917 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@H]32)ccc1F ZINC000747228753 1078951831 /nfs/dbraw/zinc/95/18/31/1078951831.db2.gz LAQOOUKDNFZDAK-FXAWDEMLSA-N 1 1 418.490 2.917 20 0 HFADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805199272 1078952694 /nfs/dbraw/zinc/95/26/94/1078952694.db2.gz QEWXWWUQJYRPRX-TVTNDZMWSA-N 1 1 406.571 2.902 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000747232076 1078956577 /nfs/dbraw/zinc/95/65/77/1078956577.db2.gz QZQAAUHDJBMNHZ-KCZVDYSFSA-N 1 1 406.482 2.734 20 0 HFADMO COC(=O)N1CCC(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000805170544 1078957212 /nfs/dbraw/zinc/95/72/12/1078957212.db2.gz HOPGRBNJOFKOPE-FXAWDEMLSA-N 1 1 402.539 2.675 20 0 HFADMO COC(=O)N1CCC(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000805170548 1078957623 /nfs/dbraw/zinc/95/76/23/1078957623.db2.gz HOPGRBNJOFKOPE-XLIONFOSSA-N 1 1 402.539 2.675 20 0 HFADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCC([C@H](O)c3ccccc3C)CC2)CC1 ZINC000805180534 1078964912 /nfs/dbraw/zinc/96/49/12/1078964912.db2.gz KUIRLNKUINSJTO-XXBNENTESA-N 1 1 416.610 2.724 20 0 HFADMO C[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)C1 ZINC000805184227 1078966071 /nfs/dbraw/zinc/96/60/71/1078966071.db2.gz LDPSLZRXUFWETQ-IEBWSBKVSA-N 1 1 402.539 2.914 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1OCc1cn2ccccc2n1 ZINC000747236412 1078994076 /nfs/dbraw/zinc/99/40/76/1078994076.db2.gz MJOWJKAVDVWMLB-RTBURBONSA-N 1 1 406.486 2.506 20 0 HFADMO COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000747236217 1078994357 /nfs/dbraw/zinc/99/43/57/1078994357.db2.gz BPLCXPIEWYSPSL-IBWPDUFMSA-N 1 1 404.488 2.581 20 0 HFADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000747236681 1079011792 /nfs/dbraw/zinc/01/17/92/1079011792.db2.gz NUJSXPFXUKUCJT-OLZOCXBDSA-N 1 1 412.387 2.623 20 0 HFADMO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000805397744 1079039470 /nfs/dbraw/zinc/03/94/70/1079039470.db2.gz UORDOPSJLMHLKT-VQIMIIECSA-N 1 1 413.440 2.646 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000805434772 1079062897 /nfs/dbraw/zinc/06/28/97/1079062897.db2.gz ZLLDIVZIZRLULO-YJBOKZPZSA-N 1 1 405.461 2.921 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000805434771 1079062942 /nfs/dbraw/zinc/06/29/42/1079062942.db2.gz ZLLDIVZIZRLULO-QAPCUYQASA-N 1 1 405.461 2.921 20 0 HFADMO CC(C)(C(=O)OCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)[NH+]1CCCC1 ZINC000805610077 1079174109 /nfs/dbraw/zinc/17/41/09/1079174109.db2.gz GHMPACLRYDFHSW-SFHVURJKSA-N 1 1 416.518 2.929 20 0 HFADMO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC000805615221 1079175687 /nfs/dbraw/zinc/17/56/87/1079175687.db2.gz ZTEGYIHHYJFZSZ-MRXNPFEDSA-N 1 1 403.523 2.913 20 0 HFADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)C1 ZINC000805636086 1079189572 /nfs/dbraw/zinc/18/95/72/1079189572.db2.gz KNXMKYJTOAQBAP-QRVBRYPASA-N 1 1 419.566 2.711 20 0 HFADMO COc1ccc(-n2c(C)nnc2SCC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC001130301076 1079192130 /nfs/dbraw/zinc/19/21/30/1079192130.db2.gz GRKVOPXWNNUGBA-RTBURBONSA-N 1 1 415.563 2.810 20 0 HFADMO COc1ccc(-n2cnnc2SCC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC001130301635 1079193872 /nfs/dbraw/zinc/19/38/72/1079193872.db2.gz SKNUCRRZLJQKTR-QZTJIDSGSA-N 1 1 401.536 2.501 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)cc1 ZINC000747263031 1079200986 /nfs/dbraw/zinc/20/09/86/1079200986.db2.gz JMRCTBUFZHDPOL-YRVHBARZSA-N 1 1 418.515 2.890 20 0 HFADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)COC(=O)C[C@@H](O)CC(C)(C)C)CC1 ZINC000805728887 1079238050 /nfs/dbraw/zinc/23/80/50/1079238050.db2.gz VTUOWQIQZXTUGN-HXUWFJFHSA-N 1 1 404.551 2.760 20 0 HFADMO C[C@@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CC(=O)N1CCC2(CC1)OCCO2 ZINC000805772249 1079246254 /nfs/dbraw/zinc/24/62/54/1079246254.db2.gz HSJHZTPLDKGEOG-HNNXBMFYSA-N 1 1 400.441 2.934 20 0 HFADMO C[C@H]1CC[N@H+](CCC(=O)N2CCc3ccccc3C2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805788429 1079254933 /nfs/dbraw/zinc/25/49/33/1079254933.db2.gz FWXYALNHENGNSC-DOXZYTNZSA-N 1 1 411.468 2.739 20 0 HFADMO C[C@H]1CC[N@@H+](CCC(=O)N2CCc3ccccc3C2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805788429 1079254938 /nfs/dbraw/zinc/25/49/38/1079254938.db2.gz FWXYALNHENGNSC-DOXZYTNZSA-N 1 1 411.468 2.739 20 0 HFADMO COC(=O)/C=C\c1ccc(S(=O)(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)cc1 ZINC000747268337 1079256396 /nfs/dbraw/zinc/25/63/96/1079256396.db2.gz IHGYHVXSEIPSJE-GFBZKKKVSA-N 1 1 400.500 2.554 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC(=O)N1CCO[C@H]3CCCC[C@H]31)C2 ZINC000805792398 1079257552 /nfs/dbraw/zinc/25/75/52/1079257552.db2.gz BLKBOVHVUKWQFF-MSYCTHLASA-N 1 1 421.582 2.879 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+](CCNS(=O)(=O)c1ccccc1)C2 ZINC000805793600 1079258341 /nfs/dbraw/zinc/25/83/41/1079258341.db2.gz IFXNADSLGYVZFU-OAQYLSRUSA-N 1 1 423.579 2.688 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCNS(=O)(=O)c1ccccc1)C2 ZINC000805793600 1079258345 /nfs/dbraw/zinc/25/83/45/1079258345.db2.gz IFXNADSLGYVZFU-OAQYLSRUSA-N 1 1 423.579 2.688 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cc(=O)n3ccsc3n1)C2 ZINC000805794353 1079259101 /nfs/dbraw/zinc/25/91/01/1079259101.db2.gz SLMJGFRPTCTTCV-FQEVSTJZSA-N 1 1 404.536 2.979 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cc(=O)n3ccsc3n1)C2 ZINC000805794353 1079259107 /nfs/dbraw/zinc/25/91/07/1079259107.db2.gz SLMJGFRPTCTTCV-FQEVSTJZSA-N 1 1 404.536 2.979 20 0 HFADMO COc1cc(CC(=O)OCC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)ccc1C ZINC000805767860 1079270496 /nfs/dbraw/zinc/27/04/96/1079270496.db2.gz IAVWZDDVHHFZEN-LJQANCHMSA-N 1 1 410.514 2.995 20 0 HFADMO COC(=O)N1CCC(CNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000805832175 1079272320 /nfs/dbraw/zinc/27/23/20/1079272320.db2.gz AAUHHKVQNMRRNX-HXUWFJFHSA-N 1 1 402.539 2.628 20 0 HFADMO CC[C@@H]1C[C@@H]([N@H+]2C[C@H]3CN(CCOC)C(=O)[C@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170488392 1079266458 /nfs/dbraw/zinc/26/64/58/1079266458.db2.gz GHKGMZPOLUQVLG-OBKDMQGPSA-N 1 1 423.598 2.980 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccccc1 ZINC000805765886 1079268298 /nfs/dbraw/zinc/26/82/98/1079268298.db2.gz RINKGELQINOHBD-KRWDZBQOSA-N 1 1 411.568 2.734 20 0 HFADMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000805803733 1079280963 /nfs/dbraw/zinc/28/09/63/1079280963.db2.gz ZGLUHRQRFARNDQ-QGTPRVQTSA-N 1 1 422.522 2.625 20 0 HFADMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000805803733 1079280967 /nfs/dbraw/zinc/28/09/67/1079280967.db2.gz ZGLUHRQRFARNDQ-QGTPRVQTSA-N 1 1 422.522 2.625 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c(Cl)cc1Cl ZINC000747273348 1079303755 /nfs/dbraw/zinc/30/37/55/1079303755.db2.gz MEPNUBIRHVGWRD-LLVKDONJSA-N 1 1 409.335 2.742 20 0 HFADMO COCC[N@H+]1CCN(C(=O)[C@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)C(C)(C)C1 ZINC001130421267 1079340785 /nfs/dbraw/zinc/34/07/85/1079340785.db2.gz NCZVLXPYKSFEJO-VGSWGCGISA-N 1 1 409.571 2.593 20 0 HFADMO COCC[N@@H+]1CCN(C(=O)c2ccc(CNC(=O)C3CCCC3)cc2)C(C)(C)C1 ZINC001130421308 1079341234 /nfs/dbraw/zinc/34/12/34/1079341234.db2.gz OLKMEUYBKKMRDM-UHFFFAOYSA-N 1 1 401.551 2.676 20 0 HFADMO COCC[N@H+]1CCN(C(=O)c2ccc(CNC(=O)C3CCCC3)cc2)C(C)(C)C1 ZINC001130421308 1079341237 /nfs/dbraw/zinc/34/12/37/1079341237.db2.gz OLKMEUYBKKMRDM-UHFFFAOYSA-N 1 1 401.551 2.676 20 0 HFADMO C[C@H](CNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000805941897 1079344361 /nfs/dbraw/zinc/34/43/61/1079344361.db2.gz CFGJAUNFBAORJY-XXBNENTESA-N 1 1 423.557 2.907 20 0 HFADMO Cc1ccc(N2CCCN(C(=O)C(=O)NC[C@@H](C)[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000805940946 1079344370 /nfs/dbraw/zinc/34/43/70/1079344370.db2.gz IMWXCSGCUYAYHO-OAQYLSRUSA-N 1 1 422.573 2.670 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)ccc1F ZINC000747284074 1079355915 /nfs/dbraw/zinc/35/59/15/1079355915.db2.gz OOBMZEKPANVXJN-KRWDZBQOSA-N 1 1 414.886 2.847 20 0 HFADMO C[C@@H]1CN(C(=O)[C@@]2(c3ccccc3)CNC(=O)C2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001130458888 1079382638 /nfs/dbraw/zinc/38/26/38/1079382638.db2.gz WTKQYZBBRJZIND-XZWCOCNFSA-N 1 1 405.542 2.954 20 0 HFADMO COC(=O)CC[C@@H]1CC[C@H](C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@H]2C)O1 ZINC001130459007 1079383081 /nfs/dbraw/zinc/38/30/81/1079383081.db2.gz YJEUXMVRAQZUPE-CPDPWVEUSA-N 1 1 402.535 2.997 20 0 HFADMO COC(=O)/C=C\c1ccc(S(=O)(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cc1 ZINC000747284152 1079384283 /nfs/dbraw/zinc/38/42/83/1079384283.db2.gz XHUGPYUKDRGXLB-IMTHGLKYSA-N 1 1 414.527 2.768 20 0 HFADMO O=C(NC[C@@H](O)COc1cccc(F)c1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000747297224 1079404354 /nfs/dbraw/zinc/40/43/54/1079404354.db2.gz RCVVEXJFDFDVLL-GOSISDBHSA-N 1 1 419.522 2.936 20 0 HFADMO O=C(CCNC(=O)c1ccc(Br)cc1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001130517976 1079448768 /nfs/dbraw/zinc/44/87/68/1079448768.db2.gz BRXYKRGKABDIFT-SJORKVTESA-N 1 1 408.340 2.702 20 0 HFADMO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[N@H+](C)CC(C)C)C2)s1 ZINC001130523648 1079459144 /nfs/dbraw/zinc/45/91/44/1079459144.db2.gz HSMAOYXSBOZANF-QGZVFWFLSA-N 1 1 415.625 2.551 20 0 HFADMO COc1ccc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1S(=O)(=O)NC(C)(C)C ZINC001130519866 1079451568 /nfs/dbraw/zinc/45/15/68/1079451568.db2.gz YLAMMFPOTUSLGT-DLBZAZTESA-N 1 1 423.579 2.519 20 0 HFADMO Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccc(OCCC[NH+]2CCN(C)CC2)cc1 ZINC001130542295 1079462837 /nfs/dbraw/zinc/46/28/37/1079462837.db2.gz SJDYZUGSKYOGGK-UHFFFAOYSA-N 1 1 413.566 2.986 20 0 HFADMO Cn1nc(C(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)cc1C(F)(F)F ZINC001130527854 1079464442 /nfs/dbraw/zinc/46/44/42/1079464442.db2.gz IZTLZSLYGSRCGQ-DLBZAZTESA-N 1 1 408.424 2.554 20 0 HFADMO C[C@@]1(CNC(=O)C(=O)N[C@H]2CSc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000806151829 1079468061 /nfs/dbraw/zinc/46/80/61/1079468061.db2.gz QZAWPNKGUGBNLG-CVDCTZTESA-N 1 1 409.555 2.978 20 0 HFADMO Cc1cc2nc(C)c(CCC(=O)N3CC[N@@H+](C)C[C@@H]3Cc3ccccc3)c(C)n2n1 ZINC001130551163 1079488221 /nfs/dbraw/zinc/48/82/21/1079488221.db2.gz WGSUINVAEIDAAT-NRFANRHFSA-N 1 1 405.546 2.972 20 0 HFADMO Cc1cc2nc(C)c(CCC(=O)N3CC[N@H+](C)C[C@@H]3Cc3ccccc3)c(C)n2n1 ZINC001130551163 1079488226 /nfs/dbraw/zinc/48/82/26/1079488226.db2.gz WGSUINVAEIDAAT-NRFANRHFSA-N 1 1 405.546 2.972 20 0 HFADMO C[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CCN1C(=O)OC(C)(C)C ZINC000787335853 1076746646 /nfs/dbraw/zinc/74/66/46/1076746646.db2.gz VWOARKMIXJMFFG-KZNAEPCWSA-N 1 1 424.586 2.669 20 0 HFADMO C[N@H+](CC[C@@H]1CCCO1)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000787311840 1076757513 /nfs/dbraw/zinc/75/75/13/1076757513.db2.gz OMZCBWUAZAGVHI-HNNXBMFYSA-N 1 1 420.369 2.873 20 0 HFADMO C[N@@H+](CC[C@@H]1CCCO1)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000787311840 1076757519 /nfs/dbraw/zinc/75/75/19/1076757519.db2.gz OMZCBWUAZAGVHI-HNNXBMFYSA-N 1 1 420.369 2.873 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000787322280 1076766170 /nfs/dbraw/zinc/76/61/70/1076766170.db2.gz CZESIGJXWQVRAU-KURKYZTESA-N 1 1 424.586 2.717 20 0 HFADMO CC(C)N1C(=S)N=NC1CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000787338773 1076783551 /nfs/dbraw/zinc/78/35/51/1076783551.db2.gz JNSSHKIMELFGIV-UHFFFAOYSA-N 1 1 407.450 2.639 20 0 HFADMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787387426 1076804467 /nfs/dbraw/zinc/80/44/67/1076804467.db2.gz YSTSVQMSFNPXEC-YJBOKZPZSA-N 1 1 405.543 2.546 20 0 HFADMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787387426 1076804472 /nfs/dbraw/zinc/80/44/72/1076804472.db2.gz YSTSVQMSFNPXEC-YJBOKZPZSA-N 1 1 405.543 2.546 20 0 HFADMO O=C(c1cnn(-c2cc[nH+]cc2)c1C(F)F)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000787443376 1076813318 /nfs/dbraw/zinc/81/33/18/1076813318.db2.gz YIHBIZHZVILFCQ-ZBFHGGJFSA-N 1 1 418.400 2.763 20 0 HFADMO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000746685916 1076821830 /nfs/dbraw/zinc/82/18/30/1076821830.db2.gz AAOUZKMAXQAKMB-UHFFFAOYSA-N 1 1 410.543 2.842 20 0 HFADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000746685916 1076821836 /nfs/dbraw/zinc/82/18/36/1076821836.db2.gz AAOUZKMAXQAKMB-UHFFFAOYSA-N 1 1 410.543 2.842 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC(c3ccccc3)CC2)cn1 ZINC000787476823 1076837383 /nfs/dbraw/zinc/83/73/83/1076837383.db2.gz GDKCZUBYXJJKKK-UHFFFAOYSA-N 1 1 403.486 2.598 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)cn1 ZINC000787476939 1076837407 /nfs/dbraw/zinc/83/74/07/1076837407.db2.gz HTXACSVEJPKMNR-UTKZUKDTSA-N 1 1 417.513 2.844 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)cn1 ZINC000787477929 1076837665 /nfs/dbraw/zinc/83/76/65/1076837665.db2.gz NGWNWFKGRVMLIU-AZUAARDMSA-N 1 1 421.476 2.784 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)cn1 ZINC000787477932 1076837803 /nfs/dbraw/zinc/83/78/03/1076837803.db2.gz NGWNWFKGRVMLIU-ICSRJNTNSA-N 1 1 421.476 2.784 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(CCc2ccccc2)CC(C)C)cn1 ZINC000787478973 1076838343 /nfs/dbraw/zinc/83/83/43/1076838343.db2.gz SQXQBQQPVCMSSW-UHFFFAOYSA-N 1 1 419.529 2.919 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(Cc2ccc(F)cc2)CC2CC2)cn1 ZINC000787479659 1076838943 /nfs/dbraw/zinc/83/89/43/1076838943.db2.gz VRJUBOLXCLZNTJ-UHFFFAOYSA-N 1 1 421.476 2.770 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@H]2c2cccc(C)c2)cn1 ZINC000787480594 1076839512 /nfs/dbraw/zinc/83/95/12/1076839512.db2.gz DJZIBVKMEQOYLR-FQEVSTJZSA-N 1 1 403.486 2.864 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)cn1 ZINC000787486826 1076844129 /nfs/dbraw/zinc/84/41/29/1076844129.db2.gz SOBGLUWGUMAOLB-JXFKEZNVSA-N 1 1 403.486 2.597 20 0 HFADMO O=C(Cn1c(=O)c2ccccc2[nH]c1=S)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000746689128 1076857214 /nfs/dbraw/zinc/85/72/14/1076857214.db2.gz QXDVGMOYQAVUMY-UHFFFAOYSA-N 1 1 408.527 2.962 20 0 HFADMO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000746689645 1076859456 /nfs/dbraw/zinc/85/94/56/1076859456.db2.gz OQVRUPFUPMJQIY-SJORKVTESA-N 1 1 414.575 2.798 20 0 HFADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000746689645 1076859460 /nfs/dbraw/zinc/85/94/60/1076859460.db2.gz OQVRUPFUPMJQIY-SJORKVTESA-N 1 1 414.575 2.798 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCCCOc2cccc(C)c2C)cn1 ZINC000787619315 1076881260 /nfs/dbraw/zinc/88/12/60/1076881260.db2.gz XKJRKFVWJFRKSG-UHFFFAOYSA-N 1 1 407.474 2.716 20 0 HFADMO CC[C@H](CNC(=O)C(=O)N[C@@H](C)COc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000787631192 1076883954 /nfs/dbraw/zinc/88/39/54/1076883954.db2.gz ISHJHFDQRXPWDZ-GHTZIAJQSA-N 1 1 409.530 2.523 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000787600749 1076888043 /nfs/dbraw/zinc/88/80/43/1076888043.db2.gz XUAOTEIGSWAGHI-HXUWFJFHSA-N 1 1 416.566 2.890 20 0 HFADMO CC(C)c1ccc(N2CC[C@H](C(=O)N3CC[N@H+](C4CCOCC4)C[C@H]3C)C2=O)cc1 ZINC000787679420 1076908459 /nfs/dbraw/zinc/90/84/59/1076908459.db2.gz QLBAUVDYJNNPLY-XMSQKQJNSA-N 1 1 413.562 2.875 20 0 HFADMO Cc1ccc(N2CCCN(C(=O)C(=O)NCCC[N@H+](C)C3CCCCC3)CC2)cc1 ZINC000787686765 1076911877 /nfs/dbraw/zinc/91/18/77/1076911877.db2.gz GFVFFXPVHKELFV-UHFFFAOYSA-N 1 1 414.594 2.805 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@@](C)(O)c1cccc(C(F)(F)F)c1 ZINC000787688167 1076912216 /nfs/dbraw/zinc/91/22/16/1076912216.db2.gz ZQKOWIQVBGPDHX-KUHUBIRLSA-N 1 1 400.441 2.625 20 0 HFADMO C[N@@H+]1CC[C@@H](NCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)[C@H]1c1ccccc1 ZINC000787689539 1076913457 /nfs/dbraw/zinc/91/34/57/1076913457.db2.gz LKNOSDROOLGINY-OXQOHEQNSA-N 1 1 412.559 2.699 20 0 HFADMO C[N@H+]1CC[C@@H](NCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)[C@H]1c1ccccc1 ZINC000787689539 1076913459 /nfs/dbraw/zinc/91/34/59/1076913459.db2.gz LKNOSDROOLGINY-OXQOHEQNSA-N 1 1 412.559 2.699 20 0 HFADMO C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1nc2ccccc2s1 ZINC000787708154 1076920780 /nfs/dbraw/zinc/92/07/80/1076920780.db2.gz RZDFWEJWLCQWPC-OWCLPIDISA-N 1 1 402.564 2.958 20 0 HFADMO CC(C)(C)OC(=O)NCCOCC[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000787715224 1076923782 /nfs/dbraw/zinc/92/37/82/1076923782.db2.gz BUMCUZKQUNQTNI-UHFFFAOYSA-N 1 1 407.511 2.734 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H](C)c1ccccc1OC(C)C ZINC000787878289 1076973499 /nfs/dbraw/zinc/97/34/99/1076973499.db2.gz LCJNIHQAROPFCS-MRXNPFEDSA-N 1 1 421.501 2.857 20 0 HFADMO COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)Nc2cc(C)cnc2Cl)CC1 ZINC000787892764 1076981075 /nfs/dbraw/zinc/98/10/75/1076981075.db2.gz XKHPNYAFGYHNMR-UHFFFAOYSA-N 1 1 410.946 2.579 20 0 HFADMO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C)CCC2 ZINC000787904470 1076988645 /nfs/dbraw/zinc/98/86/45/1076988645.db2.gz SSWRCPSOZJVJPM-MJGOQNOKSA-N 1 1 403.571 2.728 20 0 HFADMO Cc1ccc(N2CCN(C(=O)C(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)CC2)cc1C ZINC000787909713 1076991825 /nfs/dbraw/zinc/99/18/25/1076991825.db2.gz MLWDOBPVRUITIX-LJQANCHMSA-N 1 1 414.594 2.580 20 0 HFADMO Cc1ccc(N2CCN(C(=O)C(=O)NCCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000787916002 1076994579 /nfs/dbraw/zinc/99/45/79/1076994579.db2.gz UVAAFTIXUOYDGG-OYRHEFFESA-N 1 1 414.594 2.518 20 0 HFADMO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)CCC2 ZINC000787916840 1076994782 /nfs/dbraw/zinc/99/47/82/1076994782.db2.gz YQJUMMQTUIHMMU-WSTZPKSXSA-N 1 1 417.598 2.832 20 0 HFADMO Cc1cnc(Cl)c(NC(=O)C(=O)Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)c1 ZINC000787902375 1077004796 /nfs/dbraw/zinc/00/47/96/1077004796.db2.gz XJSMSMADHUJSTA-UHFFFAOYSA-N 1 1 416.909 2.750 20 0 HFADMO C[C@H](Cc1ccco1)NC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000787941002 1077018027 /nfs/dbraw/zinc/01/80/27/1077018027.db2.gz ORIUCJIGCXMJGC-JHMKDJTOSA-N 1 1 409.530 2.744 20 0 HFADMO Cc1c[nH+]ccc1OC1CCN(C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000788003689 1077025275 /nfs/dbraw/zinc/02/52/75/1077025275.db2.gz FUURFTOXQAGHPF-NRFANRHFSA-N 1 1 404.532 2.544 20 0 HFADMO C[C@@H](CNC(=O)CC1CCC2(CC1)OCCO2)[NH+]1CCN(c2ccccc2)CC1 ZINC000788092721 1077056463 /nfs/dbraw/zinc/05/64/63/1077056463.db2.gz OQTLFMACFLNOBV-IBGZPJMESA-N 1 1 401.551 2.637 20 0 HFADMO C[C@H](C(=O)O[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCc2ccccc21 ZINC000788137811 1077062582 /nfs/dbraw/zinc/06/25/82/1077062582.db2.gz NQRDZEMQTAARMF-XQBPLPMBSA-N 1 1 421.541 2.760 20 0 HFADMO CC(=O)CC(C)(C)CC(=O)OCC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000788142262 1077063803 /nfs/dbraw/zinc/06/38/03/1077063803.db2.gz UWFQYFQCPAMKGQ-UHFFFAOYSA-N 1 1 402.535 2.968 20 0 HFADMO COc1cc(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cnc1Br ZINC000788198456 1077077287 /nfs/dbraw/zinc/07/72/87/1077077287.db2.gz WKWHIXGNWUFJOQ-UHFFFAOYSA-N 1 1 420.307 2.980 20 0 HFADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cnc(Br)c(OC)c2)[C@@H](C)C1 ZINC000788222035 1077082614 /nfs/dbraw/zinc/08/26/14/1077082614.db2.gz HIRKKHDGICVCMM-DZGCQCFKSA-N 1 1 414.344 2.720 20 0 HFADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000746744762 1077125911 /nfs/dbraw/zinc/12/59/11/1077125911.db2.gz WRAMMJDOOKTCMA-ROUUACIJSA-N 1 1 400.454 2.784 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)NCCSC(C)(C)C ZINC000788365116 1077127174 /nfs/dbraw/zinc/12/71/74/1077127174.db2.gz TVIXVECWSCFJTJ-DZFIZOCASA-N 1 1 405.608 2.907 20 0 HFADMO Cn1cc(-c2ccc(=O)n(CN3CC[C@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)n2)cn1 ZINC000788372874 1077131729 /nfs/dbraw/zinc/13/17/29/1077131729.db2.gz GQMALJSXMUCTDF-REWPJTCUSA-N 1 1 418.545 2.588 20 0 HFADMO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cn2nc(-c3cnn(C)c3)ccc2=O)CC1 ZINC000788374175 1077132581 /nfs/dbraw/zinc/13/25/81/1077132581.db2.gz OWKMCYAYCCQTCI-MRXNPFEDSA-N 1 1 412.925 2.634 20 0 HFADMO CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2cnccc2NC(=O)OC(C)(C)C)c1 ZINC000788429479 1077143869 /nfs/dbraw/zinc/14/38/69/1077143869.db2.gz KHEDBOJVFPCQAV-AWEZNQCLSA-N 1 1 420.535 2.609 20 0 HFADMO C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCCSC(F)(F)F)[C@@H]1c1cccs1 ZINC000788543363 1077195293 /nfs/dbraw/zinc/19/52/93/1077195293.db2.gz UTOJPGWGLIIDEY-DGCLKSJQSA-N 1 1 409.499 2.616 20 0 HFADMO C[C@H](Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000788608018 1077222155 /nfs/dbraw/zinc/22/21/55/1077222155.db2.gz HATBXBFIWXIXBK-INIZCTEOSA-N 1 1 416.566 2.978 20 0 HFADMO C[C@H](Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000788608018 1077222157 /nfs/dbraw/zinc/22/21/57/1077222157.db2.gz HATBXBFIWXIXBK-INIZCTEOSA-N 1 1 416.566 2.978 20 0 HFADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000788649377 1077224582 /nfs/dbraw/zinc/22/45/82/1077224582.db2.gz BDYSRZJWIHNMJL-DGQTTZFYSA-N 1 1 424.545 2.815 20 0 HFADMO COc1ccc(CCS(=O)(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000788617017 1077229483 /nfs/dbraw/zinc/22/94/83/1077229483.db2.gz BUKCGLRKEUHSED-NRFANRHFSA-N 1 1 402.560 2.722 20 0 HFADMO CS(=O)(=O)Nc1ccc(N2CC[NH+](Cc3ccnn3-c3ccccc3)CC2)cc1 ZINC000790906161 1077243962 /nfs/dbraw/zinc/24/39/62/1077243962.db2.gz CJZJDVQHAJHNBA-UHFFFAOYSA-N 1 1 411.531 2.566 20 0 HFADMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000788643162 1077244523 /nfs/dbraw/zinc/24/45/23/1077244523.db2.gz JLOVROOFLIYFQK-AHRSYUTCSA-N 1 1 410.518 2.569 20 0 HFADMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)C[C@@H]1C ZINC000790946886 1077251726 /nfs/dbraw/zinc/25/17/26/1077251726.db2.gz SPFMWGLJFJBLFO-LXGFNABISA-N 1 1 416.566 2.570 20 0 HFADMO CCOC(=O)[C@@H]1[C@H](N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000788690168 1077251773 /nfs/dbraw/zinc/25/17/73/1077251773.db2.gz WMCWJRNIVCSCNF-YRPNKDGESA-N 1 1 417.550 2.963 20 0 HFADMO CCOC(=O)[C@@H]1[C@H](N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000788690168 1077251776 /nfs/dbraw/zinc/25/17/76/1077251776.db2.gz WMCWJRNIVCSCNF-YRPNKDGESA-N 1 1 417.550 2.963 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc(F)c(S(C)(=O)=O)c1)C1CC1 ZINC000790968966 1077258523 /nfs/dbraw/zinc/25/85/23/1077258523.db2.gz QTAVHWRNXIKBSL-LJQANCHMSA-N 1 1 404.507 2.870 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc(F)c(S(C)(=O)=O)c1)C1CC1 ZINC000790968963 1077258568 /nfs/dbraw/zinc/25/85/68/1077258568.db2.gz QTAVHWRNXIKBSL-IBGZPJMESA-N 1 1 404.507 2.870 20 0 HFADMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000788669728 1077261889 /nfs/dbraw/zinc/26/18/89/1077261889.db2.gz YFSQLVKKHGUIQF-BGYRXZFFSA-N 1 1 421.501 2.632 20 0 HFADMO Cc1cc(C)c(N2CC[C@H](NC(=O)NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2=O)c(C)c1 ZINC000788698311 1077275598 /nfs/dbraw/zinc/27/55/98/1077275598.db2.gz ZHMHNUUDEMLHCJ-ZCNNSNEGSA-N 1 1 416.566 2.516 20 0 HFADMO C[C@]1(CNC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000791054010 1077284633 /nfs/dbraw/zinc/28/46/33/1077284633.db2.gz BGUIJWNEMCMNND-NZQKXSOJSA-N 1 1 412.555 2.976 20 0 HFADMO CCOC(=O)C1([C@@H](C)[NH2+]Cc2nnc(C)s2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788735308 1077285122 /nfs/dbraw/zinc/28/51/22/1077285122.db2.gz PHASHXBCBKKHEG-CYBMUJFWSA-N 1 1 412.556 2.905 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000791062264 1077286808 /nfs/dbraw/zinc/28/68/08/1077286808.db2.gz TVNKFSZYZLDLLH-KRWDZBQOSA-N 1 1 413.971 2.585 20 0 HFADMO C[C@H](Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)c1nc(Br)ccc1F ZINC000788795654 1077290568 /nfs/dbraw/zinc/29/05/68/1077290568.db2.gz ARCDJCLONKEEDO-NSHDSACASA-N 1 1 407.287 3.000 20 0 HFADMO C[C@H](Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)c1nc(Br)ccc1F ZINC000788795654 1077290574 /nfs/dbraw/zinc/29/05/74/1077290574.db2.gz ARCDJCLONKEEDO-NSHDSACASA-N 1 1 407.287 3.000 20 0 HFADMO Cc1cc(C)c(N2CC[C@H]([NH2+]CCS(=O)(=O)c3ccc(F)cc3)C2=O)c(C)c1 ZINC000788805663 1077293846 /nfs/dbraw/zinc/29/38/46/1077293846.db2.gz UFTROXMTMUPRLG-IBGZPJMESA-N 1 1 404.507 2.920 20 0 HFADMO O=C(NC[C@@H]1CCC[N@H+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)C1)c1ccccc1 ZINC000788772958 1077296358 /nfs/dbraw/zinc/29/63/58/1077296358.db2.gz VKTFQYULLLJKTF-RBBKRZOGSA-N 1 1 419.525 2.704 20 0 HFADMO O=C(NC[C@@H]1CCC[N@@H+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)C1)c1ccccc1 ZINC000788772958 1077296364 /nfs/dbraw/zinc/29/63/64/1077296364.db2.gz VKTFQYULLLJKTF-RBBKRZOGSA-N 1 1 419.525 2.704 20 0 HFADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788826021 1077311290 /nfs/dbraw/zinc/31/12/90/1077311290.db2.gz NPIINJHAXHEDJD-KNQAVFIVSA-N 1 1 408.546 2.949 20 0 HFADMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@@H]2CC(c3c(F)cccc3F)=NO2)C[C@H](C)O1 ZINC000791334033 1077377171 /nfs/dbraw/zinc/37/71/71/1077377171.db2.gz USFZRDNPAPHTCJ-YGTYGHESSA-N 1 1 407.461 2.558 20 0 HFADMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@@H]2CC(c3c(F)cccc3F)=NO2)C[C@H](C)O1 ZINC000791334033 1077377178 /nfs/dbraw/zinc/37/71/78/1077377178.db2.gz USFZRDNPAPHTCJ-YGTYGHESSA-N 1 1 407.461 2.558 20 0 HFADMO C[C@@H](NC(=O)[C@H]1CC(c2c(F)cccc2F)=NO1)C1([NH+]2CCOCC2)CCCC1 ZINC000791371254 1077385291 /nfs/dbraw/zinc/38/52/91/1077385291.db2.gz IXQOEXXMILGKFO-RDTXWAMCSA-N 1 1 407.461 2.608 20 0 HFADMO CC(=O)c1cc(C(=O)OCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)ccc1C ZINC000789137896 1077407296 /nfs/dbraw/zinc/40/72/96/1077407296.db2.gz MMZSTXXTZUDPMY-UHFFFAOYSA-N 1 1 416.518 2.506 20 0 HFADMO O=C([C@@H]1CC12CC[NH+](CCS(=O)(=O)Cc1ccccc1)CC2)N1CCCCC1 ZINC000791487167 1077426542 /nfs/dbraw/zinc/42/65/42/1077426542.db2.gz DQDPJLLTMXMURF-FQEVSTJZSA-N 1 1 404.576 2.716 20 0 HFADMO CCOC1CC(CC(=O)OCC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)C1 ZINC000789152180 1077436553 /nfs/dbraw/zinc/43/65/53/1077436553.db2.gz NZGUNMHMYQMZQS-UHFFFAOYSA-N 1 1 402.535 2.778 20 0 HFADMO Cc1nc(CC2CC2)oc1C(=O)O[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000789153156 1077436891 /nfs/dbraw/zinc/43/68/91/1077436891.db2.gz VVWPHTINRPCPPB-VQIMIIECSA-N 1 1 411.502 2.872 20 0 HFADMO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](C[C@H](O)Cc2ccc3ccccc3c2)CCO1 ZINC000791494535 1077439310 /nfs/dbraw/zinc/43/93/10/1077439310.db2.gz TYJIBKYJTCMXOV-NHCUHLMSSA-N 1 1 400.519 2.969 20 0 HFADMO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)CCO1 ZINC000791494535 1077439313 /nfs/dbraw/zinc/43/93/13/1077439313.db2.gz TYJIBKYJTCMXOV-NHCUHLMSSA-N 1 1 400.519 2.969 20 0 HFADMO CC(C)[C@H](NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@@H](O)c1ccccc1 ZINC000789174578 1077443931 /nfs/dbraw/zinc/44/39/31/1077443931.db2.gz HCNFDFIPKIZNAU-VABKMULXSA-N 1 1 411.546 2.811 20 0 HFADMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CCS(=O)(=O)Cc2ccccc2)C1 ZINC000791471412 1077444474 /nfs/dbraw/zinc/44/44/74/1077444474.db2.gz POLDZAWDZVLGQH-QGZVFWFLSA-N 1 1 420.497 2.724 20 0 HFADMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](CCS(=O)(=O)Cc2ccccc2)C1 ZINC000791471412 1077444478 /nfs/dbraw/zinc/44/44/78/1077444478.db2.gz POLDZAWDZVLGQH-QGZVFWFLSA-N 1 1 420.497 2.724 20 0 HFADMO O=C(NC[C@H]1CCC[N@H+](CCS(=O)(=O)Cc2ccccc2)C1)c1ccccc1 ZINC000791474689 1077446095 /nfs/dbraw/zinc/44/60/95/1077446095.db2.gz WHSMXIZWLYYFCJ-HXUWFJFHSA-N 1 1 400.544 2.743 20 0 HFADMO O=C(NC[C@H]1CCC[N@@H+](CCS(=O)(=O)Cc2ccccc2)C1)c1ccccc1 ZINC000791474689 1077446096 /nfs/dbraw/zinc/44/60/96/1077446096.db2.gz WHSMXIZWLYYFCJ-HXUWFJFHSA-N 1 1 400.544 2.743 20 0 HFADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)COC(=O)[C@@H]2CCC(=O)c3cccn32)CC1 ZINC000789221978 1077448777 /nfs/dbraw/zinc/44/87/77/1077448777.db2.gz JMLOAMDSAVTTQX-NRFANRHFSA-N 1 1 423.513 2.592 20 0 HFADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccnn1C1CCCC1 ZINC000746792368 1077456852 /nfs/dbraw/zinc/45/68/52/1077456852.db2.gz BTOZOMOMHMYKAL-IBGZPJMESA-N 1 1 409.534 2.965 20 0 HFADMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000747025353 1077505592 /nfs/dbraw/zinc/50/55/92/1077505592.db2.gz ZQROYIMJGBGILP-UHFFFAOYSA-N 1 1 410.927 2.547 20 0 HFADMO O=C(CN1CCC(COc2ccc(Cl)nc2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000789313758 1077510602 /nfs/dbraw/zinc/51/06/02/1077510602.db2.gz OHBPBDJHJUAZDK-UHFFFAOYSA-N 1 1 406.958 2.569 20 0 HFADMO CC[N@H+]1CCC[C@H]1CNC(=S)N1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000789349183 1077512509 /nfs/dbraw/zinc/51/25/09/1077512509.db2.gz OBCSZODIYYOQTG-JYJNAYRXSA-N 1 1 402.580 2.625 20 0 HFADMO CC[N@H+]1CCC[C@@H]1CNC(=S)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 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/nfs/dbraw/zinc/53/42/40/1077534240.db2.gz SXXBYGIDKKZIEJ-RTBURBONSA-N 1 1 411.587 2.813 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)c2ccc(CN3CCCCC3=O)cc2)CC1 ZINC000791720871 1077539629 /nfs/dbraw/zinc/53/96/29/1077539629.db2.gz XTPREKYTOTVTAX-UHFFFAOYSA-N 1 1 401.551 2.772 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000789365466 1077540002 /nfs/dbraw/zinc/54/00/02/1077540002.db2.gz RNXRMLIQEGUEJB-JXFKEZNVSA-N 1 1 409.486 2.756 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000789365466 1077540005 /nfs/dbraw/zinc/54/00/05/1077540005.db2.gz RNXRMLIQEGUEJB-JXFKEZNVSA-N 1 1 409.486 2.756 20 0 HFADMO COc1nc(Br)ccc1NC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000789379154 1077546429 /nfs/dbraw/zinc/54/64/29/1077546429.db2.gz SQEFIVRPSFTXGA-JSGCOSHPSA-N 1 1 413.316 2.618 20 0 HFADMO C[C@H](CCNC(=O)C(=O)Nc1ccccc1N1CCOC1=O)[N@@H+](C)Cc1ccccc1 ZINC000746811277 1077552514 /nfs/dbraw/zinc/55/25/14/1077552514.db2.gz 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HFADMO O=C(CCS(=O)(=O)c1ccc(F)cc1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000791819910 1077567187 /nfs/dbraw/zinc/56/71/87/1077567187.db2.gz MHUZXCPOEKWTPQ-SFHVURJKSA-N 1 1 404.507 2.628 20 0 HFADMO O=C(OCCN1CC[NH+](Cc2ccsc2)CC1)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000789437696 1077572505 /nfs/dbraw/zinc/57/25/05/1077572505.db2.gz IDPWSMIEWYUNFK-OAQYLSRUSA-N 1 1 416.543 2.890 20 0 HFADMO CC(C)(C)OC(=O)N1CC(OCCC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000791825558 1077574678 /nfs/dbraw/zinc/57/46/78/1077574678.db2.gz BFTZIRWDUVSQPH-LJQANCHMSA-N 1 1 417.550 2.651 20 0 HFADMO CC(=O)[C@H]1CC(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)=NN1c1ccccc1 ZINC000791828716 1077576923 /nfs/dbraw/zinc/57/69/23/1077576923.db2.gz OVAKAEZJDAJISY-NFBKMPQASA-N 1 1 404.514 2.849 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)C[C@@H](c2ccccc2)N2CCOC2=O)CC1 ZINC000791840223 1077580989 /nfs/dbraw/zinc/58/09/89/1077580989.db2.gz WCYVADPFHVHEMP-FQEVSTJZSA-N 1 1 403.523 2.529 20 0 HFADMO CCCCc1nc(NCCN2CCN(S(=O)(=O)c3ccccc3)CC2)cc(C)[nH+]1 ZINC001170107131 1077581585 /nfs/dbraw/zinc/58/15/85/1077581585.db2.gz PKGCHANXTQCSPL-UHFFFAOYSA-N 1 1 417.579 2.546 20 0 HFADMO C[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791940530 1077600932 /nfs/dbraw/zinc/60/09/32/1077600932.db2.gz UVSBWPCZDYLNLV-YUXAGFNASA-N 1 1 407.514 2.892 20 0 HFADMO CC(C)CNC(=O)C1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000746820900 1077610135 /nfs/dbraw/zinc/61/01/35/1077610135.db2.gz ICBFFYWPZKJVMS-FQEVSTJZSA-N 1 1 403.592 2.787 20 0 HFADMO C[N@@H+](C[C@H](O)COCc1ccccc1Cl)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789519192 1077613432 /nfs/dbraw/zinc/61/34/32/1077613432.db2.gz XOSQMLNUHLCPHT-PZJWPPBQSA-N 1 1 402.922 2.950 20 0 HFADMO CC(C)Cc1ncc(NC(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC000791957864 1077631766 /nfs/dbraw/zinc/63/17/66/1077631766.db2.gz XVRIRCTUKHWGRY-UHFFFAOYSA-N 1 1 420.558 2.739 20 0 HFADMO O=c1oc2cc(I)ccc2n1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000789538364 1077633461 /nfs/dbraw/zinc/63/34/61/1077633461.db2.gz AGBRTCMJUJSHBF-MRXNPFEDSA-N 1 1 414.243 2.659 20 0 HFADMO CC(C)=CC(=O)NCc1ccc(C(=O)OCCC[NH+]2CCN(C(C)C)CC2)cc1 ZINC000791967004 1077639114 /nfs/dbraw/zinc/63/91/14/1077639114.db2.gz WIEPIWQFZYWMMT-UHFFFAOYSA-N 1 1 401.551 2.842 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2cccc(Cn3cccn3)c2)CC1 ZINC000792052847 1077659464 /nfs/dbraw/zinc/65/94/64/1077659464.db2.gz NVYMWHKMPLCJMN-UHFFFAOYSA-N 1 1 413.522 2.813 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000792056593 1077661942 /nfs/dbraw/zinc/66/19/42/1077661942.db2.gz HIWRKLOAPZWGLO-LJQANCHMSA-N 1 1 416.566 2.572 20 0 HFADMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CC(c4cccc(OC)c4)=NO3)cc2)CC1 ZINC000792057182 1077664214 /nfs/dbraw/zinc/66/42/14/1077664214.db2.gz IKBAAYGEIACCEW-QHCPKHFHSA-N 1 1 422.529 2.964 20 0 HFADMO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000746828200 1077666456 /nfs/dbraw/zinc/66/64/56/1077666456.db2.gz LJCUZVMEIJUYRX-KRWDZBQOSA-N 1 1 404.555 2.876 20 0 HFADMO CC(C)(C)OC(=O)NC1(CC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CCC1 ZINC000746830352 1077673545 /nfs/dbraw/zinc/67/35/45/1077673545.db2.gz MLLMRCWHCYDUDL-UHFFFAOYSA-N 1 1 416.566 2.762 20 0 HFADMO COc1ccc(F)cc1[C@H](C)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792066367 1077674240 /nfs/dbraw/zinc/67/42/40/1077674240.db2.gz FYPVINZSWLVHTM-HNNXBMFYSA-N 1 1 409.502 2.954 20 0 HFADMO COCCOc1cccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792066508 1077674275 /nfs/dbraw/zinc/67/42/75/1077674275.db2.gz NGOGMOXGTKDACV-UHFFFAOYSA-N 1 1 407.511 2.593 20 0 HFADMO CCN(C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(OC)c(OC)c1 ZINC000792048341 1077693792 /nfs/dbraw/zinc/69/37/92/1077693792.db2.gz JNRHXQUZRNBOEB-UHFFFAOYSA-N 1 1 421.538 3.000 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCCCOc2ccc(F)cc2)CC1 ZINC000792107828 1077699733 /nfs/dbraw/zinc/69/97/33/1077699733.db2.gz RDDWAMMIQHDRLH-UHFFFAOYSA-N 1 1 409.502 2.654 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N[C@@H]2CCOc3c(F)cccc32)CC1 ZINC000792082516 1077707113 /nfs/dbraw/zinc/70/71/13/1077707113.db2.gz RLOVEXNVYWHUQB-QGZVFWFLSA-N 1 1 407.486 2.708 20 0 HFADMO COCC[N@H+]1CCCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000792082848 1077707171 /nfs/dbraw/zinc/70/71/71/1077707171.db2.gz HIHXGHPWQDPESK-IBGZPJMESA-N 1 1 423.529 2.615 20 0 HFADMO COC(=O)c1c(C)cc(Cl)nc1N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001170162739 1077708459 /nfs/dbraw/zinc/70/84/59/1077708459.db2.gz SQNYAJSKKLBGOB-UHFFFAOYSA-N 1 1 403.870 2.698 20 0 HFADMO COc1ccc2c(c1)CCCN(C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC000792136200 1077719006 /nfs/dbraw/zinc/71/90/06/1077719006.db2.gz KMXXLKUDDSNKLP-UHFFFAOYSA-N 1 1 417.550 2.913 20 0 HFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000792138388 1077719588 /nfs/dbraw/zinc/71/95/88/1077719588.db2.gz QGUIGPPMFHBYPB-FGTMMUONSA-N 1 1 412.575 2.575 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@@H]2C[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC000792150393 1077723615 /nfs/dbraw/zinc/72/36/15/1077723615.db2.gz HQYVAHMKWSPXAF-MOPGFXCFSA-N 1 1 411.587 2.981 20 0 HFADMO COc1cc(Cl)ccc1CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792151033 1077724068 /nfs/dbraw/zinc/72/40/68/1077724068.db2.gz UBAYMEPNGFXJKB-UHFFFAOYSA-N 1 1 411.930 2.908 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2C[C@@H]3CCCN3c3ccccc32)CC1 ZINC000792157070 1077725699 /nfs/dbraw/zinc/72/56/99/1077725699.db2.gz MWQIPFUUCDNQLG-SFHVURJKSA-N 1 1 414.550 2.945 20 0 HFADMO CC(C)CC[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Cl)cc1 ZINC000789692575 1077730860 /nfs/dbraw/zinc/73/08/60/1077730860.db2.gz AHSGZHTVBBSNHD-ZCNNSNEGSA-N 1 1 421.969 2.913 20 0 HFADMO COC1(C[N@H+]2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)CCCC1 ZINC000792167012 1077732705 /nfs/dbraw/zinc/73/27/05/1077732705.db2.gz JZHBBCQMPJECQH-GOSISDBHSA-N 1 1 409.571 2.737 20 0 HFADMO COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000792177659 1077735512 /nfs/dbraw/zinc/73/55/12/1077735512.db2.gz FYORQHOVKXGHTI-FYZZASKESA-N 1 1 414.550 2.627 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC000792187196 1077738560 /nfs/dbraw/zinc/73/85/60/1077738560.db2.gz CNTUCDFAJGCAEE-MJGOQNOKSA-N 1 1 411.587 2.887 20 0 HFADMO COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792197531 1077741345 /nfs/dbraw/zinc/74/13/45/1077741345.db2.gz YVXXWZZPXFOIJJ-CVDCTZTESA-N 1 1 417.550 2.784 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCOC[C@H]2c2ccccc2)CC1 ZINC000792206392 1077745927 /nfs/dbraw/zinc/74/59/27/1077745927.db2.gz JKRNVWWJXAABHC-IBGZPJMESA-N 1 1 403.523 2.529 20 0 HFADMO CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000792225214 1077751208 /nfs/dbraw/zinc/75/12/08/1077751208.db2.gz JHBYZNBCOSBLRF-RBUKOAKNSA-N 1 1 402.539 2.817 20 0 HFADMO COc1cc(OC)c(OC)cc1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792236978 1077757817 /nfs/dbraw/zinc/75/78/17/1077757817.db2.gz FFHRLJZYLBDOTR-UHFFFAOYSA-N 1 1 423.510 2.594 20 0 HFADMO C[N@H+](CC(=O)Nc1ccccc1C(=O)NCc1ccco1)[C@H](CO)c1ccccc1 ZINC000772744279 1077758362 /nfs/dbraw/zinc/75/83/62/1077758362.db2.gz ZOIOGKPLWYOASZ-OAQYLSRUSA-N 1 1 407.470 2.814 20 0 HFADMO C[N@@H+](CC(=O)Nc1ccccc1C(=O)NCc1ccco1)[C@H](CO)c1ccccc1 ZINC000772744279 1077758369 /nfs/dbraw/zinc/75/83/69/1077758369.db2.gz ZOIOGKPLWYOASZ-OAQYLSRUSA-N 1 1 407.470 2.814 20 0 HFADMO Cc1cccc([C@H]2CCCN2C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000792237529 1077758861 /nfs/dbraw/zinc/75/88/61/1077758861.db2.gz LQJFOMKFOPYTKQ-LJQANCHMSA-N 1 1 402.539 2.996 20 0 HFADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C)NC(=O)OC(C)(C)C ZINC000792250645 1077771382 /nfs/dbraw/zinc/77/13/82/1077771382.db2.gz KQCPCPJWDSLQLC-PKOBYXMFSA-N 1 1 419.570 2.991 20 0 HFADMO C[NH+](C)Cc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)c(N3CCCCC3)c2)cc1 ZINC000789740647 1077775133 /nfs/dbraw/zinc/77/51/33/1077775133.db2.gz QTQLCHRXXXOENL-UHFFFAOYSA-N 1 1 416.547 2.638 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCc2cccc(OC(C)(C)C)n2)CC1 ZINC000792289951 1077776960 /nfs/dbraw/zinc/77/69/60/1077776960.db2.gz INCXLCWAERHVAT-UHFFFAOYSA-N 1 1 420.554 2.818 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000792293749 1077778700 /nfs/dbraw/zinc/77/87/00/1077778700.db2.gz KGNOWJWKWFDXIO-CTNGQTDRSA-N 1 1 417.550 2.823 20 0 HFADMO CCC[C@@H]1CN(C[C@@H]2CC3(CCC3)C(=O)O2)CC[N@H+]1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792255293 1077781740 /nfs/dbraw/zinc/78/17/40/1077781740.db2.gz POVQECCHIRYQRF-CEXWTWQISA-N 1 1 404.551 2.744 20 0 HFADMO CCC[C@@H]1C[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)CCN1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792255293 1077781748 /nfs/dbraw/zinc/78/17/48/1077781748.db2.gz POVQECCHIRYQRF-CEXWTWQISA-N 1 1 404.551 2.744 20 0 HFADMO CCC[C@@H]1C[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)CCN1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792255293 1077781753 /nfs/dbraw/zinc/78/17/53/1077781753.db2.gz POVQECCHIRYQRF-CEXWTWQISA-N 1 1 404.551 2.744 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)C2)c1 ZINC000792256130 1077782663 /nfs/dbraw/zinc/78/26/63/1077782663.db2.gz QUDLRVLZQYBYSH-QPJICYPMSA-N 1 1 413.518 2.672 20 0 HFADMO C[C@@H](C[C@H](O)c1cccs1)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792272237 1077788638 /nfs/dbraw/zinc/78/86/38/1077788638.db2.gz CDAJTNBFTYVZQG-HOTGVXAUSA-N 1 1 411.568 2.619 20 0 HFADMO C[C@H]1COc2ccccc2CN1C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792310737 1077800935 /nfs/dbraw/zinc/80/09/35/1077800935.db2.gz MMXZBPUFTZOALR-KRWDZBQOSA-N 1 1 403.523 2.739 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCc2cc(F)c(Cl)cc2F)cn1 ZINC000789810039 1077820940 /nfs/dbraw/zinc/82/09/40/1077820940.db2.gz RJYVOWFJCHUGCZ-UHFFFAOYSA-N 1 1 405.792 2.762 20 0 HFADMO COc1ccc(CN(C)C(=O)C[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc1OC ZINC000792387137 1077829475 /nfs/dbraw/zinc/82/94/75/1077829475.db2.gz XWQNEKXIFOSQJS-UHFFFAOYSA-N 1 1 417.481 2.740 20 0 HFADMO CN(C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789883564 1077834731 /nfs/dbraw/zinc/83/47/31/1077834731.db2.gz AFXJKRIWKZIRHT-VXKWHMMOSA-N 1 1 406.530 2.553 20 0 HFADMO COc1cc(Cl)ccc1NC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792403375 1077837578 /nfs/dbraw/zinc/83/75/78/1077837578.db2.gz ASEFYNPUIZZRLT-CALCHBBNSA-N 1 1 413.905 2.878 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)Nc2ccnn2C(C)(C)C)CC1 ZINC000792379860 1077844551 /nfs/dbraw/zinc/84/45/51/1077844551.db2.gz NJSZDJVGQJLHOO-UHFFFAOYSA-N 1 1 408.547 2.702 20 0 HFADMO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1nc(Br)cs1 ZINC000792424251 1077850819 /nfs/dbraw/zinc/85/08/19/1077850819.db2.gz MXJCDHWSNXVQQC-UONOGXRCSA-N 1 1 410.337 2.518 20 0 HFADMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1nc(Br)cs1 ZINC000792465155 1077859297 /nfs/dbraw/zinc/85/92/97/1077859297.db2.gz KKWPEMNAQQNHHD-KRWDZBQOSA-N 1 1 410.337 2.615 20 0 HFADMO CC[NH+]1CCN(c2ccc(C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)cc2F)CC1 ZINC000792499526 1077868853 /nfs/dbraw/zinc/86/88/53/1077868853.db2.gz CVFBTEMYKSGJQM-OAHLLOKOSA-N 1 1 408.518 2.611 20 0 HFADMO CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000789978639 1077880146 /nfs/dbraw/zinc/88/01/46/1077880146.db2.gz TVEYINXBDNVCCS-KRWDZBQOSA-N 1 1 415.456 2.533 20 0 HFADMO O=C1c2ccc(Cl)cc2S(=O)(=O)N1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000789982400 1077882755 /nfs/dbraw/zinc/88/27/55/1077882755.db2.gz MTUCQOVWERIXOA-KRWDZBQOSA-N 1 1 420.918 2.776 20 0 HFADMO O=C1c2ccc(Cl)cc2S(=O)(=O)N1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000789982400 1077882764 /nfs/dbraw/zinc/88/27/64/1077882764.db2.gz MTUCQOVWERIXOA-KRWDZBQOSA-N 1 1 420.918 2.776 20 0 HFADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3nc(Br)cs3)cc2)CC1 ZINC000792528477 1077888054 /nfs/dbraw/zinc/88/80/54/1077888054.db2.gz VXISNOQVOKZGBN-UHFFFAOYSA-N 1 1 409.309 2.546 20 0 HFADMO CCOc1nc(C)ccc1C(=O)N[C@]1(C(=O)OC)CCC[N@H+](Cc2ccccc2)C1 ZINC000792540136 1077895128 /nfs/dbraw/zinc/89/51/28/1077895128.db2.gz YYAJFXOWFNDZQR-HSZRJFAPSA-N 1 1 411.502 2.726 20 0 HFADMO CCOc1nc(C)ccc1C(=O)N[C@]1(C(=O)OC)CCC[N@@H+](Cc2ccccc2)C1 ZINC000792540136 1077895136 /nfs/dbraw/zinc/89/51/36/1077895136.db2.gz YYAJFXOWFNDZQR-HSZRJFAPSA-N 1 1 411.502 2.726 20 0 HFADMO O=C(CSc1n[nH]c(=S)s1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792544778 1077898452 /nfs/dbraw/zinc/89/84/52/1077898452.db2.gz PYUCUUKHNKZOOB-UHFFFAOYSA-N 1 1 412.528 2.840 20 0 HFADMO C[N@@H+](CCNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1)Cc1ccccc1 ZINC000790031133 1077903562 /nfs/dbraw/zinc/90/35/62/1077903562.db2.gz DWONOLSOLDWMJV-UHFFFAOYSA-N 1 1 422.573 2.584 20 0 HFADMO COC(=O)c1cc(C(=O)C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)c(C)[nH]1 ZINC001170205733 1077905557 /nfs/dbraw/zinc/90/55/57/1077905557.db2.gz NTDFJRMDWMRUQN-SFHVURJKSA-N 1 1 409.280 2.552 20 0 HFADMO CC[C@@H]1C[C@H](NC(=[NH2+])NCCC[C@H](N)C(=O)Nc2ccc3ccccc3c2)CCO1 ZINC001170200910 1077912638 /nfs/dbraw/zinc/91/26/38/1077912638.db2.gz AJGLCEOBJYFGEA-NJYVYQBISA-N 1 1 411.550 2.957 20 0 HFADMO CC[C@@H]1C[C@H]([N@H+]2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)CCO1 ZINC001170227967 1077917811 /nfs/dbraw/zinc/91/78/11/1077917811.db2.gz RAUZTBHXOIVDEF-RTBURBONSA-N 1 1 403.548 2.889 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(NC(=O)CCCCN2C(=O)c3ccccc3C2=O)cn1 ZINC000792588157 1077923228 /nfs/dbraw/zinc/92/32/28/1077923228.db2.gz GDPFARMWMPIYSG-UHFFFAOYSA-N 1 1 403.442 2.981 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@@H+]1CCCn2c(=O)cc(CNC(=O)N(C)C)nc2C1 ZINC001170271389 1077924686 /nfs/dbraw/zinc/92/46/86/1077924686.db2.gz BVQMIUMODYUZBD-OAHLLOKOSA-N 1 1 417.941 2.505 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@H+]1CCCn2c(=O)cc(CNC(=O)N(C)C)nc2C1 ZINC001170271389 1077924689 /nfs/dbraw/zinc/92/46/89/1077924689.db2.gz BVQMIUMODYUZBD-OAHLLOKOSA-N 1 1 417.941 2.505 20 0 HFADMO O=C(N[C@@H]1CCO[C@H]1C1CC[NH+](Cc2c[nH]c(=O)c3ccccc23)CC1)C(F)(F)F ZINC001170272851 1077925797 /nfs/dbraw/zinc/92/57/97/1077925797.db2.gz JZSNQDQPWOAAGQ-MSOLQXFVSA-N 1 1 423.435 2.988 20 0 HFADMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)C[C@@H]1C ZINC000790051268 1077931160 /nfs/dbraw/zinc/93/11/60/1077931160.db2.gz DETRTSXWAFPJMC-UGKGYDQZSA-N 1 1 414.594 2.667 20 0 HFADMO O=C(N1C[C@H]2CC[N@H+](C[C@H](O)c3ccc(Br)cc3)C[C@@H]2C1)C(F)(F)F ZINC001170280409 1077936114 /nfs/dbraw/zinc/93/61/14/1077936114.db2.gz DWSKETUBKHPCGV-NFAWXSAZSA-N 1 1 421.257 2.825 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@H+]1C[C@H](NC(=O)c2nccn2C)[C@H]2OCCC[C@H]21 ZINC001170285699 1077937594 /nfs/dbraw/zinc/93/75/94/1077937594.db2.gz UMAAOSXJDMTRSW-ZWQIFLOQSA-N 1 1 402.926 2.666 20 0 HFADMO NC(=O)CC[N@H+](CC(=O)NC1(c2ccccc2)CCC1)[C@@H]1CCOc2ccccc21 ZINC001170290674 1077939181 /nfs/dbraw/zinc/93/91/81/1077939181.db2.gz PHHVDDCPOQCNED-HXUWFJFHSA-N 1 1 407.514 2.883 20 0 HFADMO NC(=O)CC[N@@H+](CC(=O)NC1(c2ccccc2)CCC1)[C@@H]1CCOc2ccccc21 ZINC001170290674 1077939184 /nfs/dbraw/zinc/93/91/84/1077939184.db2.gz PHHVDDCPOQCNED-HXUWFJFHSA-N 1 1 407.514 2.883 20 0 HFADMO CNC(=O)[C@@H](NC(=O)C[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1)c1ccccc1 ZINC001170315034 1077941186 /nfs/dbraw/zinc/94/11/86/1077941186.db2.gz JJDNAHQTXFNJSO-QFIPXVFZSA-N 1 1 415.484 2.823 20 0 HFADMO COC(=O)Nc1ccc(CNC(=O)CN2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)cc1 ZINC001170333820 1077946130 /nfs/dbraw/zinc/94/61/30/1077946130.db2.gz SLZJRLYCSHFJES-IBGZPJMESA-N 1 1 424.545 2.935 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[C@@H](n2nncc2C[N@H+]2CC[C@@H](O)C23CCCC3)C1 ZINC001206047599 1077948557 /nfs/dbraw/zinc/94/85/57/1077948557.db2.gz JSLMHLVYOMDSOB-SJLPKXTDSA-N 1 1 405.543 2.730 20 0 HFADMO O=C1C[C@H]([NH+]2CCC(Oc3ccc(F)nc3)CC2)C(=O)N1CCc1ccccc1F ZINC000790102708 1077949563 /nfs/dbraw/zinc/94/95/63/1077949563.db2.gz AQHSINRGGUZKML-IBGZPJMESA-N 1 1 415.440 2.573 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccccc2)C[C@H](C)O1 ZINC000790125042 1077959316 /nfs/dbraw/zinc/95/93/16/1077959316.db2.gz DOCSMNTWYGFRES-IEGUWTFLSA-N 1 1 419.566 2.994 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccccc2)C[C@H](C)O1 ZINC000790125042 1077959317 /nfs/dbraw/zinc/95/93/17/1077959317.db2.gz DOCSMNTWYGFRES-IEGUWTFLSA-N 1 1 419.566 2.994 20 0 HFADMO O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NCCCCCCC[NH+]1CCCC1 ZINC000746885500 1077963933 /nfs/dbraw/zinc/96/39/33/1077963933.db2.gz ZPMBKRDARMRUFK-UHFFFAOYSA-N 1 1 402.564 2.848 20 0 HFADMO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000790187451 1077966759 /nfs/dbraw/zinc/96/67/59/1077966759.db2.gz BCTCQDDGPBZFCG-KNQAVFIVSA-N 1 1 411.550 2.633 20 0 HFADMO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000792712752 1077972292 /nfs/dbraw/zinc/97/22/92/1077972292.db2.gz RDAFFVXUUPBOSJ-INIZCTEOSA-N 1 1 409.577 2.701 20 0 HFADMO C[C@H]1CSCC[N@H+](CN2C(=O)N[C@](C)(c3ccc(OC(F)(F)F)cc3)C2=O)C1 ZINC000792725964 1077978764 /nfs/dbraw/zinc/97/87/64/1077978764.db2.gz MYHPDBORFYKIQM-SJKOYZFVSA-N 1 1 417.453 2.995 20 0 HFADMO C[C@H]1CSCC[N@@H+](CN2C(=O)N[C@](C)(c3ccc(OC(F)(F)F)cc3)C2=O)C1 ZINC000792725964 1077978766 /nfs/dbraw/zinc/97/87/66/1077978766.db2.gz MYHPDBORFYKIQM-SJKOYZFVSA-N 1 1 417.453 2.995 20 0 HFADMO CC(C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CSCCS1 ZINC001691696703 1077988490 /nfs/dbraw/zinc/98/84/90/1077988490.db2.gz ZKSFUMORXCWBAK-BBWFWOEESA-N 1 1 413.657 2.796 20 0 HFADMO CC(C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CSCCS1 ZINC001691696703 1077988493 /nfs/dbraw/zinc/98/84/93/1077988493.db2.gz ZKSFUMORXCWBAK-BBWFWOEESA-N 1 1 413.657 2.796 20 0 HFADMO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790314552 1077995035 /nfs/dbraw/zinc/99/50/35/1077995035.db2.gz MTPHKTCIDLVQOA-OXQOHEQNSA-N 1 1 401.532 2.518 20 0 HFADMO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790314552 1077995038 /nfs/dbraw/zinc/99/50/38/1077995038.db2.gz MTPHKTCIDLVQOA-OXQOHEQNSA-N 1 1 401.532 2.518 20 0 HFADMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1nc(Br)ccc1Br ZINC000790318977 1077995760 /nfs/dbraw/zinc/99/57/60/1077995760.db2.gz OIEROZCTIXKPLS-GHMZBOCLSA-N 1 1 403.118 2.963 20 0 HFADMO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000790318679 1077995969 /nfs/dbraw/zinc/99/59/69/1077995969.db2.gz NZWABAKZDBMWFL-CDNPAEQRSA-N 1 1 414.594 2.702 20 0 HFADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1cc2ccccc2c(Cl)n1 ZINC000772754206 1078001469 /nfs/dbraw/zinc/00/14/69/1078001469.db2.gz BOSLBZWXBNWJBR-UHFFFAOYSA-N 1 1 410.909 2.620 20 0 HFADMO CC(C)Oc1ncccc1C(=O)O[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792831246 1078007556 /nfs/dbraw/zinc/00/75/56/1078007556.db2.gz AZVYNZIPCJWDBP-PKOBYXMFSA-N 1 1 411.502 2.805 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)NC1(C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC001170421912 1078009304 /nfs/dbraw/zinc/00/93/04/1078009304.db2.gz SPNSQJAWWGDWSX-FQEVSTJZSA-N 1 1 409.530 2.846 20 0 HFADMO O=C(NC[C@H]1CCCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1)OCc1ccccc1 ZINC000792861122 1078010352 /nfs/dbraw/zinc/01/03/52/1078010352.db2.gz XVTJWZYRJTUIIU-WOJBJXKFSA-N 1 1 414.550 2.819 20 0 HFADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000792863921 1078011105 /nfs/dbraw/zinc/01/11/05/1078011105.db2.gz VVFTXGADTQURSW-REWPJTCUSA-N 1 1 417.550 2.508 20 0 HFADMO COCC[N@H+]1CC[C@H](NC(=O)N2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC000790373667 1078017541 /nfs/dbraw/zinc/01/75/41/1078017541.db2.gz GKUYTXWTGCYBQA-SFHVURJKSA-N 1 1 424.586 2.530 20 0 HFADMO C[C@]12CC[N@H+](CC(=O)N3CCN(Cc4ccsc4)CC3)C[C@H]1C2(Cl)Cl ZINC000792911533 1078023308 /nfs/dbraw/zinc/02/33/08/1078023308.db2.gz XKICWGQBWKQMEG-WBVHZDCISA-N 1 1 402.391 2.908 20 0 HFADMO C[C@]12CC[N@@H+](CC(=O)N3CCN(Cc4ccsc4)CC3)C[C@H]1C2(Cl)Cl ZINC000792911533 1078023309 /nfs/dbraw/zinc/02/33/09/1078023309.db2.gz XKICWGQBWKQMEG-WBVHZDCISA-N 1 1 402.391 2.908 20 0 HFADMO CC[N@@H+](CCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)C1CC1 ZINC000792911044 1078023676 /nfs/dbraw/zinc/02/36/76/1078023676.db2.gz GFMMVROMNBEFFB-LJQANCHMSA-N 1 1 402.539 2.819 20 0 HFADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)COCCc2ccccc2)CC1 ZINC000746912109 1078024912 /nfs/dbraw/zinc/02/49/12/1078024912.db2.gz CBJGTGINBPERME-FQEVSTJZSA-N 1 1 410.514 2.694 20 0 HFADMO CC(C)[C@@H](CNC(=O)[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1)[NH+]1CCOCC1 ZINC000792918739 1078025740 /nfs/dbraw/zinc/02/57/40/1078025740.db2.gz XAORSYVLYFMPOU-OFNKIYASSA-N 1 1 417.550 2.508 20 0 HFADMO CCOC(=O)C1=C(C[NH+]2CCC3(CCOCC3)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000792933268 1078028466 /nfs/dbraw/zinc/02/84/66/1078028466.db2.gz JUDKSFMDIKOAKO-HXUWFJFHSA-N 1 1 413.518 2.750 20 0 HFADMO COC(=O)c1c2cnn(C[N@H+](C[C@H](C)C(=O)OC)C3CC3)c2ccc1Br ZINC000790440694 1078032262 /nfs/dbraw/zinc/03/22/62/1078032262.db2.gz VIYVJSRZGCQQNF-NSHDSACASA-N 1 1 424.295 2.816 20 0 HFADMO COC(=O)c1c2cnn(CN3CC[C@H]4[C@H](CCC[N@H+]4C)C3)c2ccc1Br ZINC000790442653 1078033129 /nfs/dbraw/zinc/03/31/29/1078033129.db2.gz OGSNOJVGLNUHAF-CJNGLKHVSA-N 1 1 421.339 2.959 20 0 HFADMO COC(=O)c1c2cnn(CN3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)c2ccc1Br ZINC000790443659 1078033378 /nfs/dbraw/zinc/03/33/78/1078033378.db2.gz ZYSKRBMLKFATML-CZUORRHYSA-N 1 1 421.339 2.959 20 0 HFADMO COC(=O)c1c2cnn(CN3CCC[C@H]4C[N@@H+](C)CC[C@H]43)c2ccc1Br ZINC000790443660 1078033525 /nfs/dbraw/zinc/03/35/25/1078033525.db2.gz ZYSKRBMLKFATML-XJKSGUPXSA-N 1 1 421.339 2.959 20 0 HFADMO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cn1 ZINC000790468688 1078038452 /nfs/dbraw/zinc/03/84/52/1078038452.db2.gz RUKQVRPMALDKRC-GCJKJVERSA-N 1 1 411.550 2.799 20 0 HFADMO O=C(NC[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1)OCc1ccccc1 ZINC000792984997 1078040892 /nfs/dbraw/zinc/04/08/92/1078040892.db2.gz MCPGOEWMJMCYQC-RBUKOAKNSA-N 1 1 400.523 2.571 20 0 HFADMO O=C1c2ccc(Br)cc2N(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000772825616 1078042417 /nfs/dbraw/zinc/04/24/17/1078042417.db2.gz CMZTYYFUBRBWBT-GUYCJALGSA-N 1 1 418.335 2.885 20 0 HFADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000806254096 1079522783 /nfs/dbraw/zinc/52/27/83/1079522783.db2.gz QYRUCZSTROFSBX-KURKYZTESA-N 1 1 407.580 2.543 20 0 HFADMO C[C@H]1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000806312825 1079565883 /nfs/dbraw/zinc/56/58/83/1079565883.db2.gz XQMULCITXGLMFA-HUBLWGQQSA-N 1 1 410.400 2.577 20 0 HFADMO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)CCC2 ZINC000806297474 1079587064 /nfs/dbraw/zinc/58/70/64/1079587064.db2.gz OCPTXHOARVWBCD-UXHICEINSA-N 1 1 415.582 2.871 20 0 HFADMO CCCNC(=O)OC[C@H]1CCCCN1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000806355194 1079588125 /nfs/dbraw/zinc/58/81/25/1079588125.db2.gz PPKLURSLLVHMOG-FGTMMUONSA-N 1 1 412.575 2.575 20 0 HFADMO CCCNC(=O)OC[C@H]1CCCCN1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000806355194 1079588129 /nfs/dbraw/zinc/58/81/29/1079588129.db2.gz PPKLURSLLVHMOG-FGTMMUONSA-N 1 1 412.575 2.575 20 0 HFADMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747324658 1079592951 /nfs/dbraw/zinc/59/29/51/1079592951.db2.gz CTNUNOQEFICEAY-RTBURBONSA-N 1 1 402.926 2.664 20 0 HFADMO CCCCC[C@@H](NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)C(C)(C)C ZINC000806322492 1079594654 /nfs/dbraw/zinc/59/46/54/1079594654.db2.gz WZXXGMASMNKWAB-WOJBJXKFSA-N 1 1 408.631 2.726 20 0 HFADMO CCCCC[N@@H+](CCNC(=O)c1cnc2c(c1)NC(=O)CN2C)Cc1ccccc1 ZINC001130595296 1079608283 /nfs/dbraw/zinc/60/82/83/1079608283.db2.gz RRYTYQURTAGZOA-UHFFFAOYSA-N 1 1 409.534 2.892 20 0 HFADMO C[C@]1(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001130609279 1079628239 /nfs/dbraw/zinc/62/82/39/1079628239.db2.gz DZGXAXCJPNVNKF-DEOSSOPVSA-N 1 1 405.498 2.730 20 0 HFADMO C[C@H](C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001130613976 1079641674 /nfs/dbraw/zinc/64/16/74/1079641674.db2.gz NZMUACPKKBASQB-JTSKRJEESA-N 1 1 400.544 2.974 20 0 HFADMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000806413103 1079660964 /nfs/dbraw/zinc/66/09/64/1079660964.db2.gz XZMJEYDWLBAHQG-UHFFFAOYSA-N 1 1 402.539 2.912 20 0 HFADMO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000806423762 1079668402 /nfs/dbraw/zinc/66/84/02/1079668402.db2.gz DHXWUXXXTLWRCJ-GOTSBHOMSA-N 1 1 423.557 2.658 20 0 HFADMO O=C(c1cc(Br)ncc1Cl)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000806434717 1079682156 /nfs/dbraw/zinc/68/21/56/1079682156.db2.gz SNICBKDEYLBNNN-LBPRGKRZSA-N 1 1 402.720 2.824 20 0 HFADMO C[C@]1(C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)CC(c2ccccc2Cl)=NO1 ZINC000806434582 1079682583 /nfs/dbraw/zinc/68/25/83/1079682583.db2.gz OXMIXIMPINRTEN-IIBYNOLFSA-N 1 1 405.926 2.936 20 0 HFADMO CC[C@H](CNC(=O)N1CCCC[C@@H]1COC(=O)NC)[N@H+]1CCc2ccccc2C1 ZINC000806397782 1079685793 /nfs/dbraw/zinc/68/57/93/1079685793.db2.gz QHVSKWUWYRTQGL-WOJBJXKFSA-N 1 1 402.539 2.743 20 0 HFADMO COc1cc(CCNC(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccc1C ZINC000806466363 1079736920 /nfs/dbraw/zinc/73/69/20/1079736920.db2.gz XTHKQHUVTYZAGM-RUZDIDTESA-N 1 1 423.557 2.691 20 0 HFADMO Cn1[nH]cc2c(=NC(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)ccnc1-2 ZINC000806491374 1079741462 /nfs/dbraw/zinc/74/14/62/1079741462.db2.gz IZFVZJAVBYTSMK-RXVVDRJESA-N 1 1 404.518 2.860 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N(CC(=O)N2CCCCCC2)C(C)C)cn1 ZINC000806494111 1079744712 /nfs/dbraw/zinc/74/47/12/1079744712.db2.gz CXBVCNKZCYCRPX-UHFFFAOYSA-N 1 1 412.538 2.898 20 0 HFADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)C1 ZINC000806512957 1079788912 /nfs/dbraw/zinc/78/89/12/1079788912.db2.gz YKIMGFHTKQCDQN-GUDVDZBRSA-N 1 1 424.586 2.576 20 0 HFADMO C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc[nH]1 ZINC000806528052 1079801397 /nfs/dbraw/zinc/80/13/97/1079801397.db2.gz VDWKKRIDECVFLK-WPKBUWHJSA-N 1 1 406.889 2.794 20 0 HFADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(=O)NCCc2ccc(Cl)nc2)cc1 ZINC000806595064 1079838074 /nfs/dbraw/zinc/83/80/74/1079838074.db2.gz MNOYXAOVLWTRSV-CQSZACIVSA-N 1 1 411.893 2.765 20 0 HFADMO O=C(N1CC[C@@H]2NC(=O)CC[C@@H]2C1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001130690244 1079851393 /nfs/dbraw/zinc/85/13/93/1079851393.db2.gz KPXRPGILOAGOSC-FUHIMQAGSA-N 1 1 409.452 2.568 20 0 HFADMO CNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000806639444 1079896098 /nfs/dbraw/zinc/89/60/98/1079896098.db2.gz OBHPLLAVLYTYES-IAGOWNOFSA-N 1 1 408.568 2.880 20 0 HFADMO Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)c12 ZINC000747344138 1079906968 /nfs/dbraw/zinc/90/69/68/1079906968.db2.gz UYKDSDBGTRLMFQ-IAGOWNOFSA-N 1 1 411.550 2.965 20 0 HFADMO O=C(N[C@@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl)N1CC[NH+](CCO)CC1 ZINC000806676452 1079908603 /nfs/dbraw/zinc/90/86/03/1079908603.db2.gz AUTVCFAUUOVHTJ-HNNXBMFYSA-N 1 1 419.740 2.899 20 0 HFADMO CC(C)C(=O)Nc1cc(C(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)ccn1 ZINC001130733711 1079973047 /nfs/dbraw/zinc/97/30/47/1079973047.db2.gz WZWXWPGNNNCMDM-SFTDATJTSA-N 1 1 422.529 2.792 20 0 HFADMO Cc1c(Cl)c(C(=O)Nc2ccc(OCCC[NH+]3CCN(C)CC3)cc2)nn1C ZINC001130741652 1080004630 /nfs/dbraw/zinc/00/46/30/1080004630.db2.gz APZPWHQXRQWWQX-UHFFFAOYSA-N 1 1 405.930 2.651 20 0 HFADMO CSc1cccc(NC(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000806782648 1080007403 /nfs/dbraw/zinc/00/74/03/1080007403.db2.gz RXWJSVNJDUJEAG-UHFFFAOYSA-N 1 1 409.556 2.868 20 0 HFADMO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)C(=O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000806790198 1080011335 /nfs/dbraw/zinc/01/13/35/1080011335.db2.gz SMRKARQKVGMSHJ-AZUAARDMSA-N 1 1 403.954 2.837 20 0 HFADMO C[NH+]1CCN(CCCCNC(=O)c2ccccc2CSC2=NCCS2)CC1 ZINC000747359900 1080030533 /nfs/dbraw/zinc/03/05/33/1080030533.db2.gz WTXYJSPZRZUSQQ-UHFFFAOYSA-N 1 1 406.621 2.780 20 0 HFADMO C[C@H](CNC(=O)N1CCCC[C@H]1COC(=O)NC1CCCCC1)C[NH+]1CCOCC1 ZINC000806841069 1080054411 /nfs/dbraw/zinc/05/44/11/1080054411.db2.gz WGKOFLXFZDDPBA-QUCCMNQESA-N 1 1 424.586 2.578 20 0 HFADMO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000806928581 1080096238 /nfs/dbraw/zinc/09/62/38/1080096238.db2.gz VHXWNDDIUSHSDU-RLLQIKCJSA-N 1 1 402.539 2.960 20 0 HFADMO CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(C)(C)O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000806971941 1080139566 /nfs/dbraw/zinc/13/95/66/1080139566.db2.gz ZLDANVLPEAAUNL-OAQYLSRUSA-N 1 1 409.530 2.976 20 0 HFADMO CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(C)(C)O)c2)CC[N@H+]1Cc1ccccc1 ZINC000806971941 1080139581 /nfs/dbraw/zinc/13/95/81/1080139581.db2.gz ZLDANVLPEAAUNL-OAQYLSRUSA-N 1 1 409.530 2.976 20 0 HFADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806935358 1080143001 /nfs/dbraw/zinc/14/30/01/1080143001.db2.gz XIJGVYRBHDFNQJ-LAUBAEHRSA-N 1 1 409.530 2.879 20 0 HFADMO CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000806977148 1080186807 /nfs/dbraw/zinc/18/68/07/1080186807.db2.gz XUCPYUYQGLEFGA-SLFFLAALSA-N 1 1 424.586 2.720 20 0 HFADMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3CCCN3C(=O)C(F)(F)F)cc2)C1 ZINC000806978906 1080187394 /nfs/dbraw/zinc/18/73/94/1080187394.db2.gz JAVCFNCAJSANQN-RHSMWYFYSA-N 1 1 413.440 2.899 20 0 HFADMO COC(=O)[C@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1)c1ccccc1Br ZINC001130811071 1080188386 /nfs/dbraw/zinc/18/83/86/1080188386.db2.gz QADSVNUZILYWJR-MRXNPFEDSA-N 1 1 415.247 2.674 20 0 HFADMO C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000807010760 1080208865 /nfs/dbraw/zinc/20/88/65/1080208865.db2.gz NLAXQERONVBYIP-MJGOQNOKSA-N 1 1 404.555 2.716 20 0 HFADMO C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000807010760 1080208872 /nfs/dbraw/zinc/20/88/72/1080208872.db2.gz NLAXQERONVBYIP-MJGOQNOKSA-N 1 1 404.555 2.716 20 0 HFADMO C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000807010761 1080208928 /nfs/dbraw/zinc/20/89/28/1080208928.db2.gz NLAXQERONVBYIP-PKOBYXMFSA-N 1 1 404.555 2.716 20 0 HFADMO C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000807010761 1080208932 /nfs/dbraw/zinc/20/89/32/1080208932.db2.gz NLAXQERONVBYIP-PKOBYXMFSA-N 1 1 404.555 2.716 20 0 HFADMO O=C(CSc1n[nH]c(=S)s1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000747370967 1080246646 /nfs/dbraw/zinc/24/66/46/1080246646.db2.gz VCTIRWXZQUKCSY-UHFFFAOYSA-N 1 1 406.602 2.968 20 0 HFADMO O=C(CSc1n[nH]c(=S)s1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000747370967 1080246651 /nfs/dbraw/zinc/24/66/51/1080246651.db2.gz VCTIRWXZQUKCSY-UHFFFAOYSA-N 1 1 406.602 2.968 20 0 HFADMO CC[C@@H](NC(=O)c1ccc(C(OC)OC)o1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000807070182 1080253305 /nfs/dbraw/zinc/25/33/05/1080253305.db2.gz RMOURFFKAZLJSD-XLIONFOSSA-N 1 1 402.491 2.980 20 0 HFADMO CC[C@@H](NC(=O)c1ccc(C(OC)OC)o1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000807070182 1080253313 /nfs/dbraw/zinc/25/33/13/1080253313.db2.gz RMOURFFKAZLJSD-XLIONFOSSA-N 1 1 402.491 2.980 20 0 HFADMO C[C@@H](CNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000807088376 1080267225 /nfs/dbraw/zinc/26/72/25/1080267225.db2.gz AFTGEOKISSSQRK-LVCYWYKZSA-N 1 1 401.551 2.507 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)N1CC[C@H](c2ccccn2)C1 ZINC000807113535 1080291128 /nfs/dbraw/zinc/29/11/28/1080291128.db2.gz FTNRBXJQUAPLGN-JROBLHLSSA-N 1 1 420.557 2.670 20 0 HFADMO COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000807139614 1080299599 /nfs/dbraw/zinc/29/95/99/1080299599.db2.gz UMNGQOAVFSFKMU-HNJRGHQBSA-N 1 1 402.539 2.816 20 0 HFADMO CCCCNC(=O)OC[C@H]1CCCCN1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000807181266 1080375335 /nfs/dbraw/zinc/37/53/35/1080375335.db2.gz PJLKLSFSYLYSAB-RTBURBONSA-N 1 1 412.575 2.578 20 0 HFADMO C[C@@H]1CN(C(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC[N@@H+]1CCO ZINC000807288205 1080451492 /nfs/dbraw/zinc/45/14/92/1080451492.db2.gz RQQQMHGYBYLUSU-IEBWSBKVSA-N 1 1 419.566 2.804 20 0 HFADMO C[C@@H]1CN(C(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC[N@H+]1CCO ZINC000807288205 1080451495 /nfs/dbraw/zinc/45/14/95/1080451495.db2.gz RQQQMHGYBYLUSU-IEBWSBKVSA-N 1 1 419.566 2.804 20 0 HFADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)[C@@H](C)C1 ZINC000807319155 1080512518 /nfs/dbraw/zinc/51/25/18/1080512518.db2.gz UGBOQQAWRYAXDA-HNNXBMFYSA-N 1 1 404.511 2.833 20 0 HFADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)[C@@H](C)C1 ZINC000807319155 1080512523 /nfs/dbraw/zinc/51/25/23/1080512523.db2.gz UGBOQQAWRYAXDA-HNNXBMFYSA-N 1 1 404.511 2.833 20 0 HFADMO CC(C)Cc1cc(NC(=O)C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n(C)n1 ZINC000807355781 1080517582 /nfs/dbraw/zinc/51/75/82/1080517582.db2.gz YMVHNNAXLRUCRT-DEOSSOPVSA-N 1 1 423.561 2.682 20 0 HFADMO Cc1ccccc1[C@H](O)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000807352839 1080559316 /nfs/dbraw/zinc/55/93/16/1080559316.db2.gz DKKZMFAZFYFAKW-JOCHJYFZSA-N 1 1 407.514 2.851 20 0 HFADMO Cc1ccccc1[C@H](O)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000807352839 1080559326 /nfs/dbraw/zinc/55/93/26/1080559326.db2.gz DKKZMFAZFYFAKW-JOCHJYFZSA-N 1 1 407.514 2.851 20 0 HFADMO CNC(=O)Oc1cccc(OC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC001130932629 1080578637 /nfs/dbraw/zinc/57/86/37/1080578637.db2.gz NMSALWBVWGYGET-RBUKOAKNSA-N 1 1 400.479 2.558 20 0 HFADMO Cn1cc[nH+]c1N1CCC(NC(=O)[C@@]2(C)CC(c3ccccc3Cl)=NO2)CC1 ZINC000807387167 1080582062 /nfs/dbraw/zinc/58/20/62/1080582062.db2.gz BFYFJNDVUPVPAW-HXUWFJFHSA-N 1 1 401.898 2.742 20 0 HFADMO CCOC(=O)C1=C(Nc2cccn(CCOC)c2=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001170522704 1080585393 /nfs/dbraw/zinc/58/53/93/1080585393.db2.gz RNZXOFIZFJVFAV-UHFFFAOYSA-N 1 1 411.502 2.630 20 0 HFADMO C[N@H+]1CCCN(C(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC000807438895 1080659774 /nfs/dbraw/zinc/65/97/74/1080659774.db2.gz FXSQEVAVVXFLGU-LJQANCHMSA-N 1 1 402.539 2.868 20 0 HFADMO Cc1c(C(=O)N2CCS[C@@H]2C(F)(F)F)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC001130953094 1080661042 /nfs/dbraw/zinc/66/10/42/1080661042.db2.gz QOPDTAQSMRRPTB-QGZVFWFLSA-N 1 1 411.453 2.641 20 0 HFADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(=O)NCC[C@@](C)(O)c2ccccc2)cc1 ZINC000807502093 1080700232 /nfs/dbraw/zinc/70/02/32/1080700232.db2.gz YUHZJRVATBXFPS-BXKMTCNYSA-N 1 1 420.513 2.772 20 0 HFADMO COc1cc(C)cc(CNC(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000807539988 1080754910 /nfs/dbraw/zinc/75/49/10/1080754910.db2.gz SNYUJIJNBWLBDK-DEOSSOPVSA-N 1 1 409.530 2.648 20 0 HFADMO CC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1C ZINC000807544562 1080761407 /nfs/dbraw/zinc/76/14/07/1080761407.db2.gz VWKLQKNYDWRFJR-HRAATJIYSA-N 1 1 408.502 2.671 20 0 HFADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3CC(F)(F)[C@@H]3C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164406914 718870059 /nfs/dbraw/zinc/87/00/59/718870059.db2.gz HTVWLGQATHEFFB-YQQAZPJKSA-N 1 1 422.520 2.972 20 0 HFADMO O=C1CCC(=O)N1Cc1ccc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC001164628067 719087837 /nfs/dbraw/zinc/08/78/37/719087837.db2.gz LXSFOKQQBXDTOT-RTWAWAEBSA-N 1 1 404.514 2.831 20 0 HFADMO COCCN1CC[N@H+](C)C2(CCN(c3cc(Cl)nc4ccc(C)cc43)CC2)C1=O ZINC001164633793 719271744 /nfs/dbraw/zinc/27/17/44/719271744.db2.gz HWHXZVJHVHTMIS-UHFFFAOYSA-N 1 1 416.953 2.956 20 0 HFADMO COCCN1CC[N@@H+](C)C2(CCN(c3cc(Cl)nc4ccc(C)cc43)CC2)C1=O ZINC001164633793 719271750 /nfs/dbraw/zinc/27/17/50/719271750.db2.gz HWHXZVJHVHTMIS-UHFFFAOYSA-N 1 1 416.953 2.956 20 0 HFADMO COCCN1CC[N@H+](C)C2(CCN(c3cc(Cl)nc4ccsc43)CC2)C1=O ZINC001164633697 719272596 /nfs/dbraw/zinc/27/25/96/719272596.db2.gz GZIXVIAJZUFAKW-UHFFFAOYSA-N 1 1 408.955 2.709 20 0 HFADMO COCCN1CC[N@@H+](C)C2(CCN(c3cc(Cl)nc4ccsc43)CC2)C1=O ZINC001164633697 719272599 /nfs/dbraw/zinc/27/25/99/719272599.db2.gz GZIXVIAJZUFAKW-UHFFFAOYSA-N 1 1 408.955 2.709 20 0 HFADMO CCOC(=O)c1cnc(C2CC2)nc1N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001164650606 719311066 /nfs/dbraw/zinc/31/10/66/719311066.db2.gz ZQDXXHLSERWZSX-UHFFFAOYSA-N 1 1 412.538 2.932 20 0 HFADMO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1C[NH2+]C3)CC2 ZINC001164663840 719348652 /nfs/dbraw/zinc/34/86/52/719348652.db2.gz NLIFXCMBGWWAFD-UHFFFAOYSA-N 1 1 415.545 2.775 20 0 HFADMO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)n1 ZINC000301667335 719467011 /nfs/dbraw/zinc/46/70/11/719467011.db2.gz OXUHVJUVNVLSKE-MSOLQXFVSA-N 1 1 409.559 2.939 20 0 HFADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](OCC(=O)NC)CO3)CC2)nc1 ZINC001164678097 719555561 /nfs/dbraw/zinc/55/55/61/719555561.db2.gz VNZRXOFPGVGDHF-PMACEKPBSA-N 1 1 416.566 2.519 20 0 HFADMO Cn1ncc2c1CN(c1ccc(C[N@@H+](C)C3CC3)cn1)C[C@@H]2COc1cccnc1 ZINC001164683043 719599055 /nfs/dbraw/zinc/59/90/55/719599055.db2.gz DKWOFXQVLRJRNG-GOSISDBHSA-N 1 1 404.518 2.987 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)CC2 ZINC001164686660 719720492 /nfs/dbraw/zinc/72/04/92/719720492.db2.gz QNUTWYHGIYRPNH-UHFFFAOYSA-N 1 1 411.884 2.942 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc3ccccc3nc1N1CCCCC1)CC2 ZINC001164690300 719736989 /nfs/dbraw/zinc/73/69/89/719736989.db2.gz YWZSDVBEDKANCM-UHFFFAOYSA-N 1 1 422.577 2.801 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(-c3ccncc3)nc3sccc31)CC2 ZINC001164689900 719751324 /nfs/dbraw/zinc/75/13/24/719751324.db2.gz OFGGAJPMIZTMKI-UHFFFAOYSA-N 1 1 422.558 2.934 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)CC2 ZINC001164689372 719756342 /nfs/dbraw/zinc/75/63/42/719756342.db2.gz DBTHIZIQNFTFMJ-UHFFFAOYSA-N 1 1 423.291 2.994 20 0 HFADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c(C)cccc21 ZINC001164704582 719849050 /nfs/dbraw/zinc/84/90/50/719849050.db2.gz RWCYMTGBYRGVGM-YCRPNKLZSA-N 1 1 418.925 2.824 20 0 HFADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nncc2cc(Cl)ccc21 ZINC001164700560 719856412 /nfs/dbraw/zinc/85/64/12/719856412.db2.gz IAKHRXSPARXOKP-JXFKEZNVSA-N 1 1 404.898 2.516 20 0 HFADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2cccc(C)c21 ZINC001164705986 719862478 /nfs/dbraw/zinc/86/24/78/719862478.db2.gz VUNQCDYBQMRCNB-QVKFZJNVSA-N 1 1 418.925 2.824 20 0 HFADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(F)cc2ncnc(Cl)c21 ZINC001164706080 719864606 /nfs/dbraw/zinc/86/46/06/719864606.db2.gz OREHEAQBPFKDBM-VLIAUNLRSA-N 1 1 422.888 2.655 20 0 HFADMO CCOC(=O)c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nn1 ZINC001164695678 719888160 /nfs/dbraw/zinc/88/81/60/719888160.db2.gz QOUALSMFLZVWIR-UHFFFAOYSA-N 1 1 402.520 2.586 20 0 HFADMO CCOC(=O)c1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cn1 ZINC001164694561 719891568 /nfs/dbraw/zinc/89/15/68/719891568.db2.gz ADKUFRNBKSFJDH-UHFFFAOYSA-N 1 1 402.520 2.586 20 0 HFADMO COCc1nc(OC)cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164707685 719907118 /nfs/dbraw/zinc/90/71/18/719907118.db2.gz UVQNLJQQECPWQR-UHFFFAOYSA-N 1 1 404.536 2.565 20 0 HFADMO Cc1noc([C@@]23COC[C@@H]2CN(c2ccc4c(n2)CC[N@H+](Cc2ccccc2)C4)C3)n1 ZINC001164807747 720056237 /nfs/dbraw/zinc/05/62/37/720056237.db2.gz WRURMDWTGFKGBY-RDPSFJRHSA-N 1 1 417.513 2.736 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc3cc(C(=O)OC)ccc3n1)C2 ZINC001164812317 720083656 /nfs/dbraw/zinc/08/36/56/720083656.db2.gz QOOJAZSQNRLYPZ-WMZHIEFXSA-N 1 1 410.518 2.601 20 0 HFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc(N)n1)CC2 ZINC001164712542 720093234 /nfs/dbraw/zinc/09/32/34/720093234.db2.gz WXFUPEZCHCZWNM-INIZCTEOSA-N 1 1 402.930 2.615 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3cnccc3cc1C(=O)OC)C2 ZINC001164816521 720125863 /nfs/dbraw/zinc/12/58/63/720125863.db2.gz ZUSMJNRBXWJVLP-FDDCHVKYSA-N 1 1 410.518 2.601 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3c(OC)cc(OC)cc31)C2 ZINC001164811522 720200725 /nfs/dbraw/zinc/20/07/25/720200725.db2.gz JGFKSKCVCJNWNK-SBUREZEXSA-N 1 1 412.534 2.832 20 0 HFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3[nH]ccc3cc1Cl)CCC2 ZINC001164811911 720227033 /nfs/dbraw/zinc/22/70/33/720227033.db2.gz AFVSCFIBXXHRKL-UHFFFAOYSA-N 1 1 400.914 2.975 20 0 HFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3c(nc1Cl)CCCC3)CCC2 ZINC001164817827 720245057 /nfs/dbraw/zinc/24/50/57/720245057.db2.gz USIDKCFSOKWTBC-UHFFFAOYSA-N 1 1 416.957 2.816 20 0 HFADMO CCCCOc1cnc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)c(Cl)c1 ZINC001164721980 720278367 /nfs/dbraw/zinc/27/83/67/720278367.db2.gz NWKSPBXLPSLWJC-OAQYLSRUSA-N 1 1 424.973 2.579 20 0 HFADMO CCCCOc1cnc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)c(Cl)c1 ZINC001164721980 720278372 /nfs/dbraw/zinc/27/83/72/720278372.db2.gz NWKSPBXLPSLWJC-OAQYLSRUSA-N 1 1 424.973 2.579 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc4cccc(C)c43)C2)C1 ZINC001164721962 720305250 /nfs/dbraw/zinc/30/52/50/720305250.db2.gz JGBDMRRGJHAXRP-QFIPXVFZSA-N 1 1 416.953 2.861 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc4cccc(C)c43)C2)C1 ZINC001164721962 720305255 /nfs/dbraw/zinc/30/52/55/720305255.db2.gz JGBDMRRGJHAXRP-QFIPXVFZSA-N 1 1 416.953 2.861 20 0 HFADMO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(Cl)nc3[nH]cnc32)CC1 ZINC001164824548 720314381 /nfs/dbraw/zinc/31/43/81/720314381.db2.gz RMASWPOCXNXHQR-GJZGRUSLSA-N 1 1 402.930 2.523 20 0 HFADMO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc3[nH]cnc3cc2Cl)CC1 ZINC001164831441 720325230 /nfs/dbraw/zinc/32/52/30/720325230.db2.gz SAYMLFUOSXRJTN-IAGOWNOFSA-N 1 1 402.930 2.523 20 0 HFADMO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164735126 720415176 /nfs/dbraw/zinc/41/51/76/720415176.db2.gz WGISKLJWYAHQCB-UXHICEINSA-N 1 1 409.534 2.807 20 0 HFADMO COc1nc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc(N2CCCCCC2)n1 ZINC001164734458 720432278 /nfs/dbraw/zinc/43/22/78/720432278.db2.gz SFKNZKBPEWOWHZ-OALUTQOASA-N 1 1 409.538 2.509 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(Cl)nc(N(C)C)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836550 720507967 /nfs/dbraw/zinc/50/79/67/720507967.db2.gz NENPPVWCGVUGHP-YESZJQIVSA-N 1 1 403.962 2.770 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(Cl)nc(N(C)C)n3)CC[C@@H]21 ZINC001164836549 720508046 /nfs/dbraw/zinc/50/80/46/720508046.db2.gz NENPPVWCGVUGHP-ULQDDVLXSA-N 1 1 403.962 2.770 20 0 HFADMO CC(C)OC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nn1 ZINC001164840064 720520423 /nfs/dbraw/zinc/52/04/23/720520423.db2.gz WFPHCMCYYNBKIR-QWFCFKBJSA-N 1 1 412.538 2.616 20 0 HFADMO CCOC(=O)Cc1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164834713 720546421 /nfs/dbraw/zinc/54/64/21/720546421.db2.gz FXHCJKAZCIVHBH-QHAWAJNXSA-N 1 1 411.550 2.762 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(C(=O)NC4CC4)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836774 720554297 /nfs/dbraw/zinc/55/42/97/720554297.db2.gz KWZTVEHPLNRMJC-SESVDKBCSA-N 1 1 408.550 2.548 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc4ncnc(Cl)c4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840176 720573407 /nfs/dbraw/zinc/57/34/07/720573407.db2.gz SAOMQOBXHHGGLS-YQQAZPJKSA-N 1 1 412.929 2.648 20 0 HFADMO Cc1cn(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)cn1 ZINC001164837417 720573744 /nfs/dbraw/zinc/57/37/44/720573744.db2.gz MMGWBQPUGSGXSV-VAMGGRTRSA-N 1 1 406.538 2.545 20 0 HFADMO Clc1cc(-c2ccnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2)ccn1 ZINC001164743106 720653282 /nfs/dbraw/zinc/65/32/82/720653282.db2.gz OYNFMRNPNBNQPS-ZWKOTPCHSA-N 1 1 408.893 2.929 20 0 HFADMO CCOC(=O)c1cncnc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164836975 720654443 /nfs/dbraw/zinc/65/44/43/720654443.db2.gz AMASVKVJVRXAEZ-IBGZPJMESA-N 1 1 410.518 2.913 20 0 HFADMO C[C@@H]1CCc2c(sc3ncnc(N4CC[N@H+]5C[C@H](Oc6cncnc6)C[C@@H]5C4)c23)C1 ZINC001164738519 720691900 /nfs/dbraw/zinc/69/19/00/720691900.db2.gz KJAOLLURKSPJHH-BZUAXINKSA-N 1 1 422.558 2.948 20 0 HFADMO c1ccc(COc2cccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164739892 720738807 /nfs/dbraw/zinc/73/88/07/720738807.db2.gz JIZBLHGHFYNIBJ-VQTJNVASSA-N 1 1 403.486 2.793 20 0 HFADMO CCc1nc2sc3c(c2c(N2CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C2)n1)CCC3 ZINC001164741131 720757835 /nfs/dbraw/zinc/75/78/35/720757835.db2.gz MIMZQBIWHCKFLQ-LSDHHAIUSA-N 1 1 422.558 2.874 20 0 HFADMO c1ccc2c(c1)cc(N1CCCC1)nc2N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745847 720773998 /nfs/dbraw/zinc/77/39/98/720773998.db2.gz WAQXGFHHKUTZCT-VQTJNVASSA-N 1 1 416.529 2.967 20 0 HFADMO Fc1ccc(Oc2ccnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164744200 720777534 /nfs/dbraw/zinc/77/75/34/720777534.db2.gz RLYWDXUQIXEWSH-SJLPKXTDSA-N 1 1 408.437 2.540 20 0 HFADMO Clc1cnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(-c2ccccc2)n1 ZINC001164738573 720778040 /nfs/dbraw/zinc/77/80/40/720778040.db2.gz GBJOXYHMUSUGKY-IAGOWNOFSA-N 1 1 408.893 2.929 20 0 HFADMO Cc1c(Cl)nc(C2CCC2)nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746063 720802264 /nfs/dbraw/zinc/80/22/64/720802264.db2.gz LROHXTKCNSELKE-CVEARBPZSA-N 1 1 400.914 2.838 20 0 HFADMO Cc1c(Cl)nc(C2CCC2)nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746069 720802282 /nfs/dbraw/zinc/80/22/82/720802282.db2.gz LROHXTKCNSELKE-HZPDHXFCSA-N 1 1 400.914 2.838 20 0 HFADMO Cc1csc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164744901 720809883 /nfs/dbraw/zinc/80/98/83/720809883.db2.gz JLIZYSPLFWUCOR-RCCFBDPRSA-N 1 1 409.563 2.971 20 0 HFADMO Clc1cnc(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748710 720812739 /nfs/dbraw/zinc/81/27/39/720812739.db2.gz RBUAZIIROLQEEL-IIAWOOMASA-N 1 1 408.337 2.754 20 0 HFADMO CCOC(=O)c1cc(C)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164746906 720817448 /nfs/dbraw/zinc/81/74/48/720817448.db2.gz ZLBNGSHHVUVNEL-SFHLNBCPSA-N 1 1 424.549 2.538 20 0 HFADMO COc1nc2ccccc2nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740296 720818600 /nfs/dbraw/zinc/81/86/00/720818600.db2.gz KBGWWJFCCMEIHB-LVCYWYKZSA-N 1 1 419.533 2.609 20 0 HFADMO Cc1cccc2c1ncnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739202 720819038 /nfs/dbraw/zinc/81/90/38/720819038.db2.gz HRYJOIGHKGTBQF-IRFCIJBXSA-N 1 1 403.534 2.909 20 0 HFADMO Clc1nc2cnccc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164739848 720821550 /nfs/dbraw/zinc/82/15/50/720821550.db2.gz JBZIHSGSQYZXGL-GPMSIDNRSA-N 1 1 424.940 2.649 20 0 HFADMO FC(F)(c1cnnc(Cl)c1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737670 720828973 /nfs/dbraw/zinc/82/89/73/720828973.db2.gz BRNKGOYZVGMZNA-BHYGNILZSA-N 1 1 423.899 2.646 20 0 HFADMO COc1cccc2cnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc21 ZINC001164739234 720830611 /nfs/dbraw/zinc/83/06/11/720830611.db2.gz HVVYTLQHMYMCDE-XUVXKRRUSA-N 1 1 419.533 2.609 20 0 HFADMO CCOC(=O)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1C ZINC001164739531 720832101 /nfs/dbraw/zinc/83/21/01/720832101.db2.gz AZFAVATVKOILMC-QKNQBKEWSA-N 1 1 424.549 2.538 20 0 HFADMO Clc1cnc2c(c1)ncnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751824 720833941 /nfs/dbraw/zinc/83/39/41/720833941.db2.gz YZYUCHNJFXZTPR-SZVBFZGTSA-N 1 1 424.940 2.649 20 0 HFADMO Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C)c1Cl ZINC001164749416 720834761 /nfs/dbraw/zinc/83/47/61/720834761.db2.gz VUSLWPLIEBUVER-KZNAEPCWSA-N 1 1 401.946 2.718 20 0 HFADMO Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C)c1Cl ZINC001164749414 720834953 /nfs/dbraw/zinc/83/49/53/720834953.db2.gz VUSLWPLIEBUVER-FGTMMUONSA-N 1 1 401.946 2.718 20 0 HFADMO Clc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH]c2n1 ZINC001164750327 720842018 /nfs/dbraw/zinc/84/20/18/720842018.db2.gz XGGMRIXAPQBMKO-ZMSDIMECSA-N 1 1 412.929 2.582 20 0 HFADMO FC(F)(c1nccnc1Cl)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743624 720842923 /nfs/dbraw/zinc/84/29/23/720842923.db2.gz JQHFXFZMCLEYEX-OWCLPIDISA-N 1 1 423.899 2.646 20 0 HFADMO c1ncn(C[C@H]2C[C@@H]3CN(c4cc(-c5ccncc5)ncn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164741914 720849908 /nfs/dbraw/zinc/84/99/08/720849908.db2.gz FWGFYEDTPGGAAL-KCZVDYSFSA-N 1 1 416.533 2.510 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4sc5c(c43)CC[C@@H](C)C5)CC[C@@H]2C1 ZINC001164852740 720853186 /nfs/dbraw/zinc/85/31/86/720853186.db2.gz FPKFRLDTBULVSM-JFIYKMOQSA-N 1 1 416.591 2.990 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)CC[C@@H]2C1 ZINC001164851563 720855296 /nfs/dbraw/zinc/85/52/96/720855296.db2.gz AYYCMPNCVVDNMV-CJNGLKHVSA-N 1 1 414.884 2.935 20 0 HFADMO CN(C)c1cncc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753319 720874504 /nfs/dbraw/zinc/87/45/04/720874504.db2.gz OZJXGRMOWVZCSI-ZJSXRUAMSA-N 1 1 422.577 2.693 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3ccnc(CSc4ccccc4)n3)CC[C@H]2C1 ZINC001164864636 720888126 /nfs/dbraw/zinc/88/81/26/720888126.db2.gz WGEAMJDGYMVMFL-ICSRJNTNSA-N 1 1 414.575 2.942 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncc(C)c(-c4ccccc4F)n3)CC[C@@H]2C1 ZINC001164857449 720888841 /nfs/dbraw/zinc/88/88/41/720888841.db2.gz JRYPARYJKZXBBN-YLJYHZDGSA-N 1 1 400.498 2.765 20 0 HFADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)c(F)c3c1C(=O)NC3)[C@@H]2C ZINC001164858868 720969296 /nfs/dbraw/zinc/96/92/96/720969296.db2.gz IRAZWKICCGIMRE-LLVKDONJSA-N 1 1 406.893 2.735 20 0 HFADMO CCOC(=O)c1cnc(CC)nc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164858840 721014978 /nfs/dbraw/zinc/01/49/78/721014978.db2.gz HWVNJQNEWZYPTM-HNNXBMFYSA-N 1 1 400.527 2.834 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H]2CCN3C(=O)c2cnn(C)c2)nc1 ZINC001164762225 721039038 /nfs/dbraw/zinc/03/90/38/721039038.db2.gz GWUSDTSVPMKZDD-NJYVYQBISA-N 1 1 408.550 2.855 20 0 HFADMO O=C(c1cccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1)N1CCCCC1 ZINC001164869508 721050670 /nfs/dbraw/zinc/05/06/70/721050670.db2.gz TZZALWXPSYPRFP-NHCUHLMSSA-N 1 1 421.545 2.582 20 0 HFADMO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3c2cc(OC3CC[NH+](C)CC3)ccn2)n1 ZINC001164771968 721055935 /nfs/dbraw/zinc/05/59/35/721055935.db2.gz NZKXYPXYYAFZTF-FCHUYYIVSA-N 1 1 421.545 2.638 20 0 HFADMO COc1cc2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2cc1OC ZINC001164865874 721060928 /nfs/dbraw/zinc/06/09/28/721060928.db2.gz BCWTZVORSFUOQS-ZWKOTPCHSA-N 1 1 421.501 2.522 20 0 HFADMO CCOC(=O)c1cc(Cl)nc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164762509 721071294 /nfs/dbraw/zinc/07/12/94/721071294.db2.gz FDHBFXMFBURIBS-NVXWUHKLSA-N 1 1 403.914 2.604 20 0 HFADMO CCOC(=O)c1cc2ccnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2[nH]1 ZINC001164865510 721076343 /nfs/dbraw/zinc/07/63/43/721076343.db2.gz MDOBNKLTTTUDLB-MOPGFXCFSA-N 1 1 421.501 2.614 20 0 HFADMO COC(=O)c1ccc2ccnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164865561 721076851 /nfs/dbraw/zinc/07/68/51/721076851.db2.gz MVQYPCXSHCAOJI-SFTDATJTSA-N 1 1 418.497 2.896 20 0 HFADMO CCOC(=O)/C=C\c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164865317 721112114 /nfs/dbraw/zinc/11/21/14/721112114.db2.gz JUWLWMSNFHZUPF-ZMEWGYROSA-N 1 1 408.502 2.533 20 0 HFADMO COC(=O)c1ccc2cc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)ncc2c1 ZINC001164871108 721135339 /nfs/dbraw/zinc/13/53/39/721135339.db2.gz DRHYUMSDOHWOBO-YADHBBJMSA-N 1 1 418.497 2.896 20 0 HFADMO COc1cc2nc(C)nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c2cc1OC ZINC001164763405 721135813 /nfs/dbraw/zinc/13/58/13/721135813.db2.gz FMNWOEPCEPDTPA-ROUUACIJSA-N 1 1 422.533 2.647 20 0 HFADMO Cc1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(-c2ccccn2)n1 ZINC001164879817 721138247 /nfs/dbraw/zinc/13/82/47/721138247.db2.gz UHOBTLXOCTTXPL-PMACEKPBSA-N 1 1 402.502 2.722 20 0 HFADMO COc1cc2ccnc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2cc1OC ZINC001164771802 721143720 /nfs/dbraw/zinc/14/37/20/721143720.db2.gz UFDXBPCRFDGVKM-MOPGFXCFSA-N 1 1 407.518 2.944 20 0 HFADMO COc1cc2ccnc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2cc1OC ZINC001164771802 721143721 /nfs/dbraw/zinc/14/37/21/721143721.db2.gz UFDXBPCRFDGVKM-MOPGFXCFSA-N 1 1 407.518 2.944 20 0 HFADMO COC(=O)c1cc2ccccc2c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164880751 721154878 /nfs/dbraw/zinc/15/48/78/721154878.db2.gz XMFXRZDRVKLWTI-UXHICEINSA-N 1 1 418.497 2.896 20 0 HFADMO COc1ccc2nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c(C)nc2c1 ZINC001164880455 721160549 /nfs/dbraw/zinc/16/05/49/721160549.db2.gz WTTDJFYPSNXOEF-ICSRJNTNSA-N 1 1 405.502 2.822 20 0 HFADMO Cc1nc(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)nc(Cl)c1C ZINC001164766515 721161117 /nfs/dbraw/zinc/16/11/17/721161117.db2.gz LVUTWZJGUHTVTB-HOTGVXAUSA-N 1 1 410.900 2.984 20 0 HFADMO COC(=O)c1cc2ccccc2nc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164765684 721166122 /nfs/dbraw/zinc/16/61/22/721166122.db2.gz IDDOUBHJSXNLCC-OALUTQOASA-N 1 1 405.502 2.713 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)nc(=S)[nH]4)C[C@H]3C2)cn1 ZINC001164766002 721179720 /nfs/dbraw/zinc/17/97/20/721179720.db2.gz IUKGPASBKWWIQU-CHWSQXEVSA-N 1 1 414.913 2.655 20 0 HFADMO COC(=O)C[C@H](c1ccnc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c1)C1CC1 ZINC001164762726 721190882 /nfs/dbraw/zinc/19/08/82/721190882.db2.gz DMZUGBLZUCURIP-FKBYEOEOSA-N 1 1 423.561 2.830 20 0 HFADMO COc1ccccc1-c1ccc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nn1 ZINC001164770790 721201038 /nfs/dbraw/zinc/20/10/38/721201038.db2.gz OKLJVQWPNYJFEH-OALUTQOASA-N 1 1 404.518 2.844 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4c5c(nnc4Cl)CCC5)C[C@H]3C2)cn1 ZINC001164764291 721204916 /nfs/dbraw/zinc/20/49/16/721204916.db2.gz GZUNHKRVABYRLR-LSDHHAIUSA-N 1 1 422.911 2.855 20 0 HFADMO Cc1nc(C)c(-c2ccc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nn2)s1 ZINC001164761882 721228799 /nfs/dbraw/zinc/22/87/99/721228799.db2.gz JSAONBFECJYINF-MSOLQXFVSA-N 1 1 409.563 2.909 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5c4ncn5-c4ccccc4)C[C@@H]3C2)cn1 ZINC001164761903 721229645 /nfs/dbraw/zinc/22/96/45/721229645.db2.gz JZWGFWJBJBENGD-OALUTQOASA-N 1 1 414.517 2.507 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5[nH]c6cc(F)ccc6c54)C[C@H]3C2)cn1 ZINC001164761518 721244589 /nfs/dbraw/zinc/24/45/89/721244589.db2.gz JHOYFEMBFDCYFP-HZPDHXFCSA-N 1 1 405.481 2.942 20 0 HFADMO Cc1cccc2c(C)cc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)nc12 ZINC001164874372 721263272 /nfs/dbraw/zinc/26/32/72/721263272.db2.gz KUJQKKUIOGMVNY-UHFFFAOYSA-N 1 1 410.562 2.859 20 0 HFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc4cc(Cl)ccc4n3)CC2)C1 ZINC001164868538 721264068 /nfs/dbraw/zinc/26/40/68/721264068.db2.gz BAEYSUANUJOWCK-UHFFFAOYSA-N 1 1 416.953 2.895 20 0 HFADMO COC(=O)c1cc(C(F)(F)N2CCC3(CC(N(C)C)=[NH+]O3)CC2)cnc1Cl ZINC001164878982 721325885 /nfs/dbraw/zinc/32/58/85/721325885.db2.gz RKGCLUXDVLXFBO-UHFFFAOYSA-N 1 1 402.829 2.701 20 0 HFADMO COc1cc(C)nc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164779118 721347945 /nfs/dbraw/zinc/34/79/45/721347945.db2.gz RGTOKMIOVZJQAU-NRFANRHFSA-N 1 1 401.511 2.517 20 0 HFADMO COc1cc(C)nc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164779118 721347947 /nfs/dbraw/zinc/34/79/47/721347947.db2.gz RGTOKMIOVZJQAU-NRFANRHFSA-N 1 1 401.511 2.517 20 0 HFADMO COCOc1ccc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164779067 721352462 /nfs/dbraw/zinc/35/24/62/721352462.db2.gz QCFMSXRUKFAIRA-QFIPXVFZSA-N 1 1 416.522 2.788 20 0 HFADMO Cc1cc2c(ncnc2N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)s1 ZINC001164885002 721380141 /nfs/dbraw/zinc/38/01/41/721380141.db2.gz BLVPXYPUWIPFJH-LAUBAEHRSA-N 1 1 401.580 2.765 20 0 HFADMO CSc1nc(Cl)cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164893609 721382762 /nfs/dbraw/zinc/38/27/62/721382762.db2.gz WBNGAZPQQHLCAQ-KXBFYZLASA-N 1 1 412.003 2.617 20 0 HFADMO CC(C)(C)OC(=O)Nc1nccc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164784330 721403368 /nfs/dbraw/zinc/40/33/68/721403368.db2.gz JPRWPAQMONGNGC-KBPBESRZSA-N 1 1 402.524 2.848 20 0 HFADMO CCOC(=O)c1cnc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)cc1OCC ZINC001164783262 721408468 /nfs/dbraw/zinc/40/84/68/721408468.db2.gz HQHWVUKVXBHILU-HUUCEWRRSA-N 1 1 402.520 2.682 20 0 HFADMO CCOC(=O)c1cnc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)cc1OCC ZINC001164783259 721408619 /nfs/dbraw/zinc/40/86/19/721408619.db2.gz HQHWVUKVXBHILU-GJZGRUSLSA-N 1 1 402.520 2.682 20 0 HFADMO CCOC(=O)c1cc2cccnc2nc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164783997 721409426 /nfs/dbraw/zinc/40/94/26/721409426.db2.gz JTHPLIVJMMPSSF-HOTGVXAUSA-N 1 1 409.515 2.831 20 0 HFADMO CSc1nc(Cl)ncc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164886343 721410968 /nfs/dbraw/zinc/41/09/68/721410968.db2.gz JCZVZOWCARBDFN-HNAYVOBHSA-N 1 1 412.003 2.617 20 0 HFADMO FC(F)(COc1ccc(Cl)nn1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164784163 721425821 /nfs/dbraw/zinc/42/58/21/721425821.db2.gz KROLAGFFKDYXEW-TXEJJXNPSA-N 1 1 401.870 2.622 20 0 HFADMO FC(F)(COc1ccc(Cl)nn1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164784163 721425824 /nfs/dbraw/zinc/42/58/24/721425824.db2.gz KROLAGFFKDYXEW-TXEJJXNPSA-N 1 1 401.870 2.622 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(-c5ccccc5)ncn4)C3)O2)CC1 ZINC001164896428 721432399 /nfs/dbraw/zinc/43/23/99/721432399.db2.gz RIHAZNBWEHNYNW-ZJSXRUAMSA-N 1 1 407.562 2.909 20 0 HFADMO CCCSc1cncc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164893687 721439686 /nfs/dbraw/zinc/43/96/86/721439686.db2.gz JYUSHUCPSNRPDL-GHTZIAJQSA-N 1 1 405.612 2.744 20 0 HFADMO Cc1nc(-c2ccncc2)cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164896704 721440488 /nfs/dbraw/zinc/44/04/88/721440488.db2.gz RUVAPWGOCJIISZ-QPPBQGQZSA-N 1 1 422.577 2.612 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccnc(Cc5ccccc5)n4)C3)O2)CC1 ZINC001164889570 721440566 /nfs/dbraw/zinc/44/05/66/721440566.db2.gz BTWLBYRHHRUGCV-RDGATRHJSA-N 1 1 421.589 2.833 20 0 HFADMO CCN(C)c1ccnc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164784520 721448290 /nfs/dbraw/zinc/44/82/90/721448290.db2.gz FZGPQELHTRAJSK-FQEVSTJZSA-N 1 1 417.598 2.667 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nc(OC)n1)CC2 ZINC001164790574 721450758 /nfs/dbraw/zinc/45/07/58/721450758.db2.gz ZPJUMEPSNPZHEI-QGZVFWFLSA-N 1 1 424.973 2.873 20 0 HFADMO O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CCN2c2nc(Cl)ccc2C[NH+]2CCCC2)O1 ZINC001164890833 721457664 /nfs/dbraw/zinc/45/76/64/721457664.db2.gz SRLCVLXHXIINJJ-KURKYZTESA-N 1 1 404.942 2.593 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cncc(SC)n1)CC2 ZINC001164787947 721469350 /nfs/dbraw/zinc/46/93/50/721469350.db2.gz GIPDRHFAQQXNOP-GOSISDBHSA-N 1 1 406.596 2.932 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cncc(SC)n1)CC2 ZINC001164787948 721469465 /nfs/dbraw/zinc/46/94/65/721469465.db2.gz GIPDRHFAQQXNOP-SFHVURJKSA-N 1 1 406.596 2.932 20 0 HFADMO COC(=O)c1ccc2nc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)ncc2c1 ZINC001164896990 721517709 /nfs/dbraw/zinc/51/77/09/721517709.db2.gz DESMKVDMIRQKIJ-UYAOXDASSA-N 1 1 422.460 2.897 20 0 HFADMO COC(=O)c1ccc2nc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)ncc2c1 ZINC001164896983 721517746 /nfs/dbraw/zinc/51/77/46/721517746.db2.gz DESMKVDMIRQKIJ-ICSRJNTNSA-N 1 1 422.460 2.897 20 0 HFADMO COC(=O)c1ccc2nc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)ncc2c1 ZINC001164896955 721517758 /nfs/dbraw/zinc/51/77/58/721517758.db2.gz DESMKVDMIRQKIJ-AZUAARDMSA-N 1 1 422.460 2.897 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)nc2)[C@H]2CCCO[C@H]12 ZINC001164803084 721536321 /nfs/dbraw/zinc/53/63/21/721536321.db2.gz HWIMNUDGMCBRME-BBWFWOEESA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)nc2)[C@H]2CCCO[C@H]12 ZINC001164803084 721536323 /nfs/dbraw/zinc/53/63/23/721536323.db2.gz HWIMNUDGMCBRME-BBWFWOEESA-N 1 1 409.868 2.938 20 0 HFADMO CCOC(=O)c1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c(C)c1 ZINC001164802299 721542371 /nfs/dbraw/zinc/54/23/71/721542371.db2.gz FXPMOUGELAETRE-ACRUOGEOSA-N 1 1 410.518 2.830 20 0 HFADMO CCOC(=O)c1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(OC)c1 ZINC001164905860 721542561 /nfs/dbraw/zinc/54/25/61/721542561.db2.gz JHSDSLQICDTWEJ-PKOBYXMFSA-N 1 1 415.465 2.748 20 0 HFADMO COC(=O)c1c[nH]c2nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)ccc12 ZINC001164810621 721543258 /nfs/dbraw/zinc/54/32/58/721543258.db2.gz XKUSSDAHVOOXDG-IRFCIJBXSA-N 1 1 421.501 2.613 20 0 HFADMO Cn1ccc2c1nc(Cl)nc2N1C[C@@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164808429 721545034 /nfs/dbraw/zinc/54/50/34/721545034.db2.gz SDRLZAMIDOPHFB-KSZLIROESA-N 1 1 412.925 2.885 20 0 HFADMO Cn1ccc2c1nc(Cl)nc2N1C[C@@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164808429 721545038 /nfs/dbraw/zinc/54/50/38/721545038.db2.gz SDRLZAMIDOPHFB-KSZLIROESA-N 1 1 412.925 2.885 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3c2C(=O)OC3(C)C)[C@H]2CCCO[C@H]12 ZINC001164809043 721548045 /nfs/dbraw/zinc/54/80/45/721548045.db2.gz UIEUUGILYLNCPQ-NSHGMRRFSA-N 1 1 408.502 2.750 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3c2C(=O)OC3(C)C)[C@H]2CCCO[C@H]12 ZINC001164809043 721548047 /nfs/dbraw/zinc/54/80/47/721548047.db2.gz UIEUUGILYLNCPQ-NSHGMRRFSA-N 1 1 408.502 2.750 20 0 HFADMO Cc1nc2c(nc(Cl)nc2N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1C ZINC001164905300 721550816 /nfs/dbraw/zinc/55/08/16/721550816.db2.gz GMVZMRGVRRJRIM-HOCLYGCPSA-N 1 1 416.888 2.806 20 0 HFADMO Cc1nc2c(nc(Cl)nc2N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1C ZINC001164905298 721551153 /nfs/dbraw/zinc/55/11/53/721551153.db2.gz GMVZMRGVRRJRIM-GDBMZVCRSA-N 1 1 416.888 2.806 20 0 HFADMO COC(=O)c1c(C)cc(C)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164807835 721551609 /nfs/dbraw/zinc/55/16/09/721551609.db2.gz RMJKCKYPEMTIDM-SVFBPWRDSA-N 1 1 410.518 2.748 20 0 HFADMO COC(=O)c1c(C)cc(C)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164807835 721551612 /nfs/dbraw/zinc/55/16/12/721551612.db2.gz RMJKCKYPEMTIDM-SVFBPWRDSA-N 1 1 410.518 2.748 20 0 HFADMO COc1c(Cl)nc(C)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164806792 721554365 /nfs/dbraw/zinc/55/43/65/721554365.db2.gz RSVDQFZVNKMOJV-ULQDDVLXSA-N 1 1 403.914 2.710 20 0 HFADMO COc1c(Cl)nc(C)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164806792 721554367 /nfs/dbraw/zinc/55/43/67/721554367.db2.gz RSVDQFZVNKMOJV-ULQDDVLXSA-N 1 1 403.914 2.710 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnnc(Cl)c2)[C@H]2CCCO[C@H]12 ZINC001164806741 721554973 /nfs/dbraw/zinc/55/49/73/721554973.db2.gz RMQALOQXHNYIAK-JZXOWHBKSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnnc(Cl)c2)[C@H]2CCCO[C@H]12 ZINC001164806741 721554980 /nfs/dbraw/zinc/55/49/80/721554980.db2.gz RMQALOQXHNYIAK-JZXOWHBKSA-N 1 1 409.868 2.938 20 0 HFADMO NC(=O)c1cc2ccccc2c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164904656 721557907 /nfs/dbraw/zinc/55/79/07/721557907.db2.gz FBIKUPNDWSYHSJ-PKOBYXMFSA-N 1 1 406.461 2.815 20 0 HFADMO CCOc1c(Cl)ncnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164804029 721559335 /nfs/dbraw/zinc/55/93/35/721559335.db2.gz KULTVFKERFJLEG-IXDOHACOSA-N 1 1 403.914 2.792 20 0 HFADMO CCOc1c(Cl)ncnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164804029 721559339 /nfs/dbraw/zinc/55/93/39/721559339.db2.gz KULTVFKERFJLEG-IXDOHACOSA-N 1 1 403.914 2.792 20 0 HFADMO COc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc2ccccc21 ZINC001164799642 721561847 /nfs/dbraw/zinc/56/18/47/721561847.db2.gz CZPMDLLDBLPKPQ-QHAWAJNXSA-N 1 1 405.502 2.902 20 0 HFADMO COc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc2ccccc21 ZINC001164799642 721561850 /nfs/dbraw/zinc/56/18/50/721561850.db2.gz CZPMDLLDBLPKPQ-QHAWAJNXSA-N 1 1 405.502 2.902 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(=O)N3CCCC3)ccn2)[C@H]2CCCO[C@H]12 ZINC001164802394 721568376 /nfs/dbraw/zinc/56/83/76/721568376.db2.gz IHECTZKYKXHTGK-XJUOHMSHSA-N 1 1 421.545 2.581 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(=O)NC(C)(C)C)ccn2)[C@H]2CCCO[C@H]12 ZINC001164801395 721569264 /nfs/dbraw/zinc/56/92/64/721569264.db2.gz GLZQBQDOKPRWCL-VWPQPMDRSA-N 1 1 423.561 2.873 20 0 HFADMO CC(C)n1cnc2cnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc21 ZINC001164800067 721578180 /nfs/dbraw/zinc/57/81/80/721578180.db2.gz BNTSUCSCNROQLE-UFYCRDLUSA-N 1 1 407.522 2.670 20 0 HFADMO CC(C)n1cnc2cnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc21 ZINC001164800067 721578185 /nfs/dbraw/zinc/57/81/85/721578185.db2.gz BNTSUCSCNROQLE-UFYCRDLUSA-N 1 1 407.522 2.670 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccncc3)ncn2)[C@H]2CCCO[C@@H]12 ZINC001164808922 721581015 /nfs/dbraw/zinc/58/10/15/721581015.db2.gz RUQYMMYFZXMHAV-QZNHQXDQSA-N 1 1 402.502 2.802 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccncc3)ncn2)[C@H]2CCCO[C@@H]12 ZINC001164808922 721581017 /nfs/dbraw/zinc/58/10/17/721581017.db2.gz RUQYMMYFZXMHAV-QZNHQXDQSA-N 1 1 402.502 2.802 20 0 HFADMO Cc1noc(-c2ccnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2)n1 ZINC001164809550 721581174 /nfs/dbraw/zinc/58/11/74/721581174.db2.gz TVFTWCMSSCKVEQ-SVFBPWRDSA-N 1 1 406.490 2.703 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C(N)=O)cc3ccccc32)[C@H]2CCCO[C@H]12 ZINC001164807637 721582149 /nfs/dbraw/zinc/58/21/49/721582149.db2.gz PBHQSNZHGYZQGL-BDTNDASRSA-N 1 1 417.513 2.597 20 0 HFADMO C[C@@H]1CCCN(c2cc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)ncn2)C1 ZINC001164800178 721584866 /nfs/dbraw/zinc/58/48/66/721584866.db2.gz CILIGHKGDJQGPA-HWXYTADMSA-N 1 1 422.577 2.976 20 0 HFADMO CC(C)OC(=O)c1cccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164809532 721588402 /nfs/dbraw/zinc/58/84/02/721588402.db2.gz SUUYMHCLSGQWAA-PCCBWWKXSA-N 1 1 410.518 2.910 20 0 HFADMO CC(C)OC(=O)c1cccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164809532 721588404 /nfs/dbraw/zinc/58/84/04/721588404.db2.gz SUUYMHCLSGQWAA-PCCBWWKXSA-N 1 1 410.518 2.910 20 0 HFADMO COc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(OC)n1 ZINC001164907052 721693645 /nfs/dbraw/zinc/69/36/45/721693645.db2.gz QNUGEJQRSHWJQL-IBGZPJMESA-N 1 1 405.449 2.627 20 0 HFADMO Cc1ccnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1C(N)=O ZINC001164907097 721700474 /nfs/dbraw/zinc/70/04/74/721700474.db2.gz RNJUVBJZYZRKCB-FQEVSTJZSA-N 1 1 401.461 2.622 20 0 HFADMO O=C1COc2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2N1 ZINC001164906527 721710091 /nfs/dbraw/zinc/71/00/91/721710091.db2.gz MMQFUVOUKSIOCH-FQEVSTJZSA-N 1 1 415.444 2.545 20 0 HFADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)COc2cccc(Cl)n2)CC1 ZINC001165011051 721740106 /nfs/dbraw/zinc/74/01/06/721740106.db2.gz TYSRRHHRLXNAAX-UHFFFAOYSA-N 1 1 416.900 2.725 20 0 HFADMO CON(C)C(=O)c1ccnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001164909503 721763130 /nfs/dbraw/zinc/76/31/30/721763130.db2.gz BNFADJIDKLROBD-UHFFFAOYSA-N 1 1 421.501 2.898 20 0 HFADMO CON(C)C(=O)c1ccnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001164909503 721763134 /nfs/dbraw/zinc/76/31/34/721763134.db2.gz BNFADJIDKLROBD-UHFFFAOYSA-N 1 1 421.501 2.898 20 0 HFADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(NC(N)=S)cn1)C2 ZINC001164910952 721763820 /nfs/dbraw/zinc/76/38/20/721763820.db2.gz MDXSFSNOEKFXNN-UHFFFAOYSA-N 1 1 408.531 2.920 20 0 HFADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(NC(N)=S)cn1)C2 ZINC001164910952 721763825 /nfs/dbraw/zinc/76/38/25/721763825.db2.gz MDXSFSNOEKFXNN-UHFFFAOYSA-N 1 1 408.531 2.920 20 0 HFADMO Fc1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c2ccccc12 ZINC001164914868 721784505 /nfs/dbraw/zinc/78/45/05/721784505.db2.gz GRTXBVAODFYHCU-HSZRJFAPSA-N 1 1 408.477 2.877 20 0 HFADMO Fc1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c2ccccc12 ZINC001164914868 721784507 /nfs/dbraw/zinc/78/45/07/721784507.db2.gz GRTXBVAODFYHCU-HSZRJFAPSA-N 1 1 408.477 2.877 20 0 HFADMO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3CNCC4)C[C@@H]21 ZINC001165021367 721799872 /nfs/dbraw/zinc/79/98/72/721799872.db2.gz GNZMRADCHFOSQD-MOXGXCLJSA-N 1 1 412.969 2.908 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3CNCC4)C[C@@H]21 ZINC001165021367 721799874 /nfs/dbraw/zinc/79/98/74/721799874.db2.gz GNZMRADCHFOSQD-MOXGXCLJSA-N 1 1 412.969 2.908 20 0 HFADMO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3CNCC4)C[C@H]21 ZINC001165021369 721800029 /nfs/dbraw/zinc/80/00/29/721800029.db2.gz GNZMRADCHFOSQD-XFQXTVEOSA-N 1 1 412.969 2.908 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3CNCC4)C[C@H]21 ZINC001165021369 721800032 /nfs/dbraw/zinc/80/00/32/721800032.db2.gz GNZMRADCHFOSQD-XFQXTVEOSA-N 1 1 412.969 2.908 20 0 HFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@]4(C[C@@H](Oc5cccnc5)CO4)C3)c2)CC1 ZINC001164916164 721807727 /nfs/dbraw/zinc/80/77/27/721807727.db2.gz OHOJSTSNLHWBMT-FYYLOGMGSA-N 1 1 410.518 2.766 20 0 HFADMO CN(C)c1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc2nc[nH]c21 ZINC001165026806 721816183 /nfs/dbraw/zinc/81/61/83/721816183.db2.gz RGGPCTAJBWQXQK-RYQLBKOJSA-N 1 1 406.538 2.551 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccnc(-n4ccccc4=O)n3)C[C@H]21 ZINC001165021303 721825921 /nfs/dbraw/zinc/82/59/21/721825921.db2.gz DUGIIXSZOZBWHI-CEWLAPEOSA-N 1 1 416.529 2.759 20 0 HFADMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1cncc(OCc2cccc(Cl)c2)n1 ZINC001164936348 721887870 /nfs/dbraw/zinc/88/78/70/721887870.db2.gz ZPSBKFLRULFQQI-OALUTQOASA-N 1 1 401.942 2.924 20 0 HFADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1cncc(OCc2cccc(Cl)c2)n1 ZINC001164936348 721887872 /nfs/dbraw/zinc/88/78/72/721887872.db2.gz ZPSBKFLRULFQQI-OALUTQOASA-N 1 1 401.942 2.924 20 0 HFADMO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165041681 721924454 /nfs/dbraw/zinc/92/44/54/721924454.db2.gz ASMAIFWFSNYBRQ-CYBMUJFWSA-N 1 1 404.845 2.673 20 0 HFADMO CCOC(=O)c1nccc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939050 721931816 /nfs/dbraw/zinc/93/18/16/721931816.db2.gz HXIQUHLNWQTKRS-UHFFFAOYSA-N 1 1 410.518 2.833 20 0 HFADMO COc1cc2cc[nH+]c(N3C[C@H]4OCCN(Cc5c(C)noc5C)[C@@H]4C3)c2cc1OC ZINC001164943054 721947695 /nfs/dbraw/zinc/94/76/95/721947695.db2.gz NFTUFZFSOJMWRW-DENIHFKCSA-N 1 1 424.501 2.946 20 0 HFADMO CCOC(Cc1c(Cl)ncnc1N1CC[NH+](CCc2ccccn2)CC1)OCC ZINC001165055056 722013265 /nfs/dbraw/zinc/01/32/65/722013265.db2.gz BDXBOUBLUYSLNO-UHFFFAOYSA-N 1 1 419.957 2.831 20 0 HFADMO CCc1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc(N2CCOCC2)n1 ZINC001164956235 722020009 /nfs/dbraw/zinc/02/00/09/722020009.db2.gz ZMWRLRHQPSUKOW-UHFFFAOYSA-N 1 1 422.577 2.763 20 0 HFADMO CCc1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc(N2CCOCC2)n1 ZINC001164956235 722020013 /nfs/dbraw/zinc/02/00/13/722020013.db2.gz ZMWRLRHQPSUKOW-UHFFFAOYSA-N 1 1 422.577 2.763 20 0 HFADMO Cc1noc(C[C@@H]2C[C@@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)C[C@@H]3O2)n1 ZINC001164964344 722041334 /nfs/dbraw/zinc/04/13/34/722041334.db2.gz UHEAGGSDIDXXBE-IKGGRYGDSA-N 1 1 403.914 2.859 20 0 HFADMO CCOC(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1 ZINC001164960484 722052231 /nfs/dbraw/zinc/05/22/31/722052231.db2.gz PHJQFRGWOVAFBX-UHFFFAOYSA-N 1 1 410.518 2.772 20 0 HFADMO COC(=O)c1cc(F)cnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164960485 722052959 /nfs/dbraw/zinc/05/29/59/722052959.db2.gz PHQJXNXHRMDXCN-UHFFFAOYSA-N 1 1 414.481 2.521 20 0 HFADMO CSc1nc(Cl)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164963250 722054332 /nfs/dbraw/zinc/05/43/32/722054332.db2.gz JUDFZDUANYXBEK-UHFFFAOYSA-N 1 1 420.970 2.761 20 0 HFADMO CCCNC(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1 ZINC001164961595 722059838 /nfs/dbraw/zinc/05/98/38/722059838.db2.gz MKGYSEUKYTXFFY-UHFFFAOYSA-N 1 1 423.561 2.735 20 0 HFADMO Cc1noc(-c2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc2)n1 ZINC001164959962 722060289 /nfs/dbraw/zinc/06/02/89/722060289.db2.gz AQWHLNCWUHCUMR-UHFFFAOYSA-N 1 1 420.517 2.954 20 0 HFADMO CC(C)(C)OC(=O)Nc1cnc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c2[nH]cnc21 ZINC001164967470 722074792 /nfs/dbraw/zinc/07/47/92/722074792.db2.gz RGNGLUULVVQZJV-GASCZTMLSA-N 1 1 414.510 2.604 20 0 HFADMO Cc1cc(N2CCCC2)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981585 722098990 /nfs/dbraw/zinc/09/89/90/722098990.db2.gz LTHSWMALDKLMKV-RTWAWAEBSA-N 1 1 408.550 2.508 20 0 HFADMO Cc1cc(N2CCCC2)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981585 722098991 /nfs/dbraw/zinc/09/89/91/722098991.db2.gz LTHSWMALDKLMKV-RTWAWAEBSA-N 1 1 408.550 2.508 20 0 HFADMO FC(F)(c1ccc(Cl)nn1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980084 722105669 /nfs/dbraw/zinc/10/56/69/722105669.db2.gz JFAYCLFYZAIYGA-JKSUJKDBSA-N 1 1 409.868 2.797 20 0 HFADMO Clc1nc2cccnc2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982295 722106469 /nfs/dbraw/zinc/10/64/69/722106469.db2.gz NDXDCTYXARBFRJ-AEFFLSMTSA-N 1 1 410.909 2.801 20 0 HFADMO COc1nc2ccccc2nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164986200 722106962 /nfs/dbraw/zinc/10/69/62/722106962.db2.gz YJCHDJKWHNHMKC-GHTZIAJQSA-N 1 1 405.502 2.761 20 0 HFADMO CCOC(=O)c1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(C)c1 ZINC001164981835 722108899 /nfs/dbraw/zinc/10/88/99/722108899.db2.gz VGFWTRAIIUSVPE-TZIWHRDSSA-N 1 1 410.518 2.689 20 0 HFADMO COc1nc(Cl)nc(C)c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975794 722118161 /nfs/dbraw/zinc/11/81/61/722118161.db2.gz KYMMBIFXFWDEII-SJORKVTESA-N 1 1 403.914 2.569 20 0 HFADMO F[C@H](Oc1cccc(Cl)n1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979799 722118550 /nfs/dbraw/zinc/11/85/50/722118550.db2.gz QENMPUJEJRLNNT-QKLQHJQFSA-N 1 1 406.889 2.985 20 0 HFADMO F[C@H](Oc1cccc(Cl)n1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979801 722118596 /nfs/dbraw/zinc/11/85/96/722118596.db2.gz QENMPUJEJRLNNT-UWVAXJGDSA-N 1 1 406.889 2.985 20 0 HFADMO Clc1nnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c2ncccc12 ZINC001164971944 722119156 /nfs/dbraw/zinc/11/91/56/722119156.db2.gz DZCHGSGLLWVXML-AEFFLSMTSA-N 1 1 410.909 2.801 20 0 HFADMO Clc1nc2ncsc2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983650 722120104 /nfs/dbraw/zinc/12/01/04/722120104.db2.gz YVJMQWOGZVFAHH-HUUCEWRRSA-N 1 1 416.938 2.862 20 0 HFADMO CCOC(=O)c1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1C ZINC001164972496 722122235 /nfs/dbraw/zinc/12/22/35/722122235.db2.gz FRYLJFQSSPPORB-TZIWHRDSSA-N 1 1 410.518 2.689 20 0 HFADMO COC(=O)c1ccc(Cl)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164974888 722123649 /nfs/dbraw/zinc/12/36/49/722123649.db2.gz ITWBOZIIDIIWSB-LPHOPBHVSA-N 1 1 416.909 2.644 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4nccc(N5CCCCC5)n4)CC[C@@H]3C2)c1 ZINC001164972702 722128907 /nfs/dbraw/zinc/12/89/07/722128907.db2.gz AIBJWLJPOQOBHQ-RTWAWAEBSA-N 1 1 408.550 2.589 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4cncc(N5CCCCC5)n4)CC[C@@H]3C2)c1 ZINC001164980925 722131758 /nfs/dbraw/zinc/13/17/58/722131758.db2.gz NTRHIARKFIAGTM-NHCUHLMSSA-N 1 1 408.550 2.589 20 0 HFADMO CSc1ncc(Cl)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976135 722137118 /nfs/dbraw/zinc/13/71/18/722137118.db2.gz HKBFOFCPPNYMOK-CVEARBPZSA-N 1 1 405.955 2.974 20 0 HFADMO COc1nnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c2ccccc21 ZINC001164985486 722139456 /nfs/dbraw/zinc/13/94/56/722139456.db2.gz ZQCJXSLUOZHTIM-NQIIRXRSSA-N 1 1 405.502 2.761 20 0 HFADMO Fc1cccc(-c2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164978916 722145776 /nfs/dbraw/zinc/14/57/76/722145776.db2.gz KXLZWMIUPAATDG-PZJWPPBQSA-N 1 1 420.492 2.800 20 0 HFADMO Cc1nc(-c2ccncc2)cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984212 722147262 /nfs/dbraw/zinc/14/72/62/722147262.db2.gz WLDCBTKMNKCRPI-GGAORHGYSA-N 1 1 416.529 2.969 20 0 HFADMO CC(C)OC(=O)c1cccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977150 722153255 /nfs/dbraw/zinc/15/32/55/722153255.db2.gz XRTGQIHJQWGCOW-PZJWPPBQSA-N 1 1 410.518 2.769 20 0 HFADMO NS(=O)(=O)c1ccc(Cl)nc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164998263 722210773 /nfs/dbraw/zinc/21/07/73/722210773.db2.gz VKOJVLPWJABLSC-IBGZPJMESA-N 1 1 424.929 2.766 20 0 HFADMO NS(=O)(=O)c1ccc(Cl)nc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164998263 722210775 /nfs/dbraw/zinc/21/07/75/722210775.db2.gz VKOJVLPWJABLSC-IBGZPJMESA-N 1 1 424.929 2.766 20 0 HFADMO Cc1c[nH]c2nc(Cl)cc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c12 ZINC001165002545 722237045 /nfs/dbraw/zinc/23/70/45/722237045.db2.gz VDNGULAYPAYZFE-UHFFFAOYSA-N 1 1 411.941 2.672 20 0 HFADMO Cn1cccc1C(=O)N1CCO[C@H]2C[N@@H+](C(C)(C)c3ccnc(Cl)c3)C[C@H]2C1 ZINC001165004447 722245001 /nfs/dbraw/zinc/24/50/01/722245001.db2.gz OXHZXQDGUHDAKD-QAPCUYQASA-N 1 1 402.926 2.782 20 0 HFADMO Cn1cccc1C(=O)N1CCO[C@H]2C[N@H+](C(C)(C)c3ccnc(Cl)c3)C[C@H]2C1 ZINC001165004447 722245002 /nfs/dbraw/zinc/24/50/02/722245002.db2.gz OXHZXQDGUHDAKD-QAPCUYQASA-N 1 1 402.926 2.782 20 0 HFADMO C[NH+]1CCN(c2nccc(N3CC[C@@H](OCC4CC4)[C@H]3Cc3ccccc3)n2)CC1 ZINC001165004552 722271917 /nfs/dbraw/zinc/27/19/17/722271917.db2.gz BLXXBSRBBHNLMX-FGZHOGPDSA-N 1 1 407.562 2.845 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000790537273 1078053334 /nfs/dbraw/zinc/05/33/34/1078053334.db2.gz CKHIPTAFUUSJDI-IBGZPJMESA-N 1 1 400.523 2.831 20 0 HFADMO O=C(CNC(=O)c1cc2ccccc2c(Cl)n1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000772758433 1078059099 /nfs/dbraw/zinc/05/90/99/1078059099.db2.gz UOQDBWUTUFJJOD-UHFFFAOYSA-N 1 1 422.916 2.962 20 0 HFADMO CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000790599054 1078063963 /nfs/dbraw/zinc/06/39/63/1078063963.db2.gz RMXUHPKRDBOWHE-ROUUACIJSA-N 1 1 403.523 2.946 20 0 HFADMO COc1ccc(-n2cnn(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2=S)cn1 ZINC000772829142 1078105990 /nfs/dbraw/zinc/10/59/90/1078105990.db2.gz RNTGYXYDCCPBAE-CRAIPNDOSA-N 1 1 400.552 2.713 20 0 HFADMO COc1ccc(-n2cnn(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2=S)cn1 ZINC000772829148 1078105999 /nfs/dbraw/zinc/10/59/99/1078105999.db2.gz RNTGYXYDCCPBAE-YJBOKZPZSA-N 1 1 400.552 2.713 20 0 HFADMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1nc(Br)ccc1Br ZINC000790768557 1078114242 /nfs/dbraw/zinc/11/42/42/1078114242.db2.gz VJVQFLURCSUTEN-GZMMTYOYSA-N 1 1 403.118 2.819 20 0 HFADMO CN(C(=O)c1ccncc1)c1ccc(CNC(=O)NCc2c[nH+]c3n2CCCC3)cc1 ZINC000790729872 1078117765 /nfs/dbraw/zinc/11/77/65/1078117765.db2.gz KJCSESPTLYJGGY-UHFFFAOYSA-N 1 1 418.501 2.890 20 0 HFADMO Cc1cc(C)c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1I ZINC000793290821 1078119519 /nfs/dbraw/zinc/11/95/19/1078119519.db2.gz IAFWZSJQCQRUDK-ZIAGYGMSSA-N 1 1 414.287 2.501 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC000793292114 1078120462 /nfs/dbraw/zinc/12/04/62/1078120462.db2.gz YNUOGYCGTKCWAY-JKSUJKDBSA-N 1 1 400.425 2.789 20 0 HFADMO NC(=O)COc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1 ZINC000793294069 1078120482 /nfs/dbraw/zinc/12/04/82/1078120482.db2.gz DPILXYZBFRBZPX-FQEVSTJZSA-N 1 1 411.502 2.689 20 0 HFADMO C[C@H]([NH2+][C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21)C(=O)N(C)C ZINC000790742112 1078121940 /nfs/dbraw/zinc/12/19/40/1078121940.db2.gz MZFGFELMTLXZAP-JIGPKXGUSA-N 1 1 403.523 2.956 20 0 HFADMO Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000793359768 1078147189 /nfs/dbraw/zinc/14/71/89/1078147189.db2.gz XEGKJTIXOTXYAO-MRXNPFEDSA-N 1 1 418.538 2.659 20 0 HFADMO COC(=O)[C@]1(NC(=O)c2cccnc2OC(C)C)CCC[N@H+](Cc2ccccc2)C1 ZINC000790848965 1078147944 /nfs/dbraw/zinc/14/79/44/1078147944.db2.gz YNFIAJTXMDJFJX-QHCPKHFHSA-N 1 1 411.502 2.806 20 0 HFADMO COC(=O)[C@]1(NC(=O)c2cccnc2OC(C)C)CCC[N@@H+](Cc2ccccc2)C1 ZINC000790848965 1078147947 /nfs/dbraw/zinc/14/79/47/1078147947.db2.gz YNFIAJTXMDJFJX-QHCPKHFHSA-N 1 1 411.502 2.806 20 0 HFADMO Cc1cc(C)c(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1C=O ZINC000793465899 1078181327 /nfs/dbraw/zinc/18/13/27/1078181327.db2.gz KFPICIWTOYBJEQ-HXUWFJFHSA-N 1 1 407.514 2.743 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000793456673 1078192366 /nfs/dbraw/zinc/19/23/66/1078192366.db2.gz AENDZOGGHFHJGU-MRXNPFEDSA-N 1 1 416.526 2.600 20 0 HFADMO C[N@@H+]1CCN(C(=O)CCC(=O)N2CCOc3ccccc32)C[C@H]1Cc1ccccc1 ZINC000793508408 1078194256 /nfs/dbraw/zinc/19/42/56/1078194256.db2.gz TYWYTOXSZVXNDG-HXUWFJFHSA-N 1 1 407.514 2.578 20 0 HFADMO C[N@H+]1CCN(C(=O)CCC(=O)N2CCOc3ccccc32)C[C@H]1Cc1ccccc1 ZINC000793508408 1078194257 /nfs/dbraw/zinc/19/42/57/1078194257.db2.gz TYWYTOXSZVXNDG-HXUWFJFHSA-N 1 1 407.514 2.578 20 0 HFADMO COc1cc(C[N@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)c(Br)cn1 ZINC001170434054 1078201518 /nfs/dbraw/zinc/20/15/18/1078201518.db2.gz DVLHDOAYTSLIOP-MRXNPFEDSA-N 1 1 421.339 2.982 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CN2C(=O)C[C@@](C)(c3ccc(C)cc3)C2=O)C1 ZINC000793594485 1078218498 /nfs/dbraw/zinc/21/84/98/1078218498.db2.gz ZPLOKSVNLYUIKN-DQEYMECFSA-N 1 1 420.509 2.786 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CN2C(=O)C[C@@](C)(c3ccc(C)cc3)C2=O)C1 ZINC000793594485 1078218500 /nfs/dbraw/zinc/21/85/00/1078218500.db2.gz ZPLOKSVNLYUIKN-DQEYMECFSA-N 1 1 420.509 2.786 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CN2C(=O)C[C@](C)(c3ccc(C)cc3)C2=O)C1 ZINC000793594492 1078218523 /nfs/dbraw/zinc/21/85/23/1078218523.db2.gz ZPLOKSVNLYUIKN-RPBOFIJWSA-N 1 1 420.509 2.786 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CN2C(=O)C[C@](C)(c3ccc(C)cc3)C2=O)C1 ZINC000793594492 1078218527 /nfs/dbraw/zinc/21/85/27/1078218527.db2.gz ZPLOKSVNLYUIKN-RPBOFIJWSA-N 1 1 420.509 2.786 20 0 HFADMO Cn1cc(-c2ccc(CN3CC[N@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)s2)cn1 ZINC000793603128 1078221350 /nfs/dbraw/zinc/22/13/50/1078221350.db2.gz DKHMRYONVDSYKT-MRXNPFEDSA-N 1 1 405.568 2.789 20 0 HFADMO Cn1cc(-c2ccc(CN3CC[N@@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)s2)cn1 ZINC000793603128 1078221352 /nfs/dbraw/zinc/22/13/52/1078221352.db2.gz DKHMRYONVDSYKT-MRXNPFEDSA-N 1 1 405.568 2.789 20 0 HFADMO C[N@@H+]1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604145 1078221988 /nfs/dbraw/zinc/22/19/88/1078221988.db2.gz OOVNIUMXXBGQSR-PZJWPPBQSA-N 1 1 419.566 2.885 20 0 HFADMO C[N@H+]1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604145 1078221990 /nfs/dbraw/zinc/22/19/90/1078221990.db2.gz OOVNIUMXXBGQSR-PZJWPPBQSA-N 1 1 419.566 2.885 20 0 HFADMO COC(=O)CCn1nc(C)c(C[N@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1C ZINC000793603603 1078222253 /nfs/dbraw/zinc/22/22/53/1078222253.db2.gz CIPWSJORAZMRCE-JOCHJYFZSA-N 1 1 420.554 2.896 20 0 HFADMO CC[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC(Cc3ccccc3C(=O)OC)CC2)C1=O ZINC000793605427 1078223477 /nfs/dbraw/zinc/22/34/77/1078223477.db2.gz CQKHXHGPEGUPHL-HSZRJFAPSA-N 1 1 413.518 2.796 20 0 HFADMO CNS(=O)(=O)c1cccc2c1CC[N@H+](C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)C2 ZINC000793609615 1078227492 /nfs/dbraw/zinc/22/74/92/1078227492.db2.gz QITQEVAGOUGROU-NRFANRHFSA-N 1 1 423.579 2.600 20 0 HFADMO CNS(=O)(=O)c1cccc2c1CC[N@@H+](C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)C2 ZINC000793609615 1078227496 /nfs/dbraw/zinc/22/74/96/1078227496.db2.gz QITQEVAGOUGROU-NRFANRHFSA-N 1 1 423.579 2.600 20 0 HFADMO C[C@H](O)c1ccc(CNC(=O)C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000793642196 1078238877 /nfs/dbraw/zinc/23/88/77/1078238877.db2.gz JAABTLKFJGTSJO-QPXQOZNCSA-N 1 1 423.557 2.629 20 0 HFADMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)C1 ZINC000793641708 1078239136 /nfs/dbraw/zinc/23/91/36/1078239136.db2.gz HRJZKSQFGPEFNR-OAHLLOKOSA-N 1 1 410.584 2.918 20 0 HFADMO C[C@H](O)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000793650513 1078242047 /nfs/dbraw/zinc/24/20/47/1078242047.db2.gz KZKQAUCYFUFYNO-PGRDOPGGSA-N 1 1 423.557 2.773 20 0 HFADMO CC(=O)N1C[C@@H](C(=O)Nc2ccccc2C[NH+]2CCSCC2)Oc2ccccc21 ZINC000747137522 1078245716 /nfs/dbraw/zinc/24/57/16/1078245716.db2.gz WTEKRPKSSDIPAR-NRFANRHFSA-N 1 1 411.527 2.988 20 0 HFADMO C[C@@H](COc1ccccc1)NC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000793684112 1078254437 /nfs/dbraw/zinc/25/44/37/1078254437.db2.gz SOQOSFGMGLDMKT-PZJWPPBQSA-N 1 1 409.530 2.599 20 0 HFADMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)C1 ZINC000793687636 1078256877 /nfs/dbraw/zinc/25/68/77/1078256877.db2.gz PIRBIPGAEURXMC-ZBFHGGJFSA-N 1 1 408.568 2.767 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C[C@H](c4cccnc4)CC3=O)CC[C@@H]21 ZINC000793711664 1078260881 /nfs/dbraw/zinc/26/08/81/1078260881.db2.gz WLRPHXXRCOPQDS-QRVBRYPASA-N 1 1 400.523 2.686 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C[C@H](c4cccnc4)CC3=O)CC[C@@H]21 ZINC000793711664 1078260884 /nfs/dbraw/zinc/26/08/84/1078260884.db2.gz WLRPHXXRCOPQDS-QRVBRYPASA-N 1 1 400.523 2.686 20 0 HFADMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(=O)NCC1CCCCCCC1 ZINC000793754357 1078277848 /nfs/dbraw/zinc/27/78/48/1078277848.db2.gz MCIJVAJPYJNASY-QFIPXVFZSA-N 1 1 415.578 2.870 20 0 HFADMO CC[N@H+]1C[C@H](C)N(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C[C@@H]1C ZINC000793754915 1078278718 /nfs/dbraw/zinc/27/87/18/1078278718.db2.gz JAMKSICUBPVOKE-CPLUKWAASA-N 1 1 410.518 2.519 20 0 HFADMO C[N@H+]1CC[C@@]2(CCN(CN3C(=O)N[C@](C)(c4ccc(Cl)c(Cl)c4)C3=O)C2)C1 ZINC000793763227 1078281366 /nfs/dbraw/zinc/28/13/66/1078281366.db2.gz DKIPNUVAGSOWTD-RTBURBONSA-N 1 1 411.333 2.746 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000793800956 1078302511 /nfs/dbraw/zinc/30/25/11/1078302511.db2.gz JBLRDRAHKPYZHF-BEFAXECRSA-N 1 1 421.476 2.736 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCCCC(=O)OCc1ccccc1 ZINC000793800698 1078302833 /nfs/dbraw/zinc/30/28/33/1078302833.db2.gz GDYILKUBLZRHIV-UHFFFAOYSA-N 1 1 409.490 2.866 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NCC1(c2ccc(F)cc2)CCC1 ZINC000793803394 1078303274 /nfs/dbraw/zinc/30/32/74/1078303274.db2.gz BYIISCHOCBRBGK-UHFFFAOYSA-N 1 1 421.476 2.569 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000793805525 1078304149 /nfs/dbraw/zinc/30/41/49/1078304149.db2.gz HRLZQDMWDGJVFA-KRWDZBQOSA-N 1 1 405.502 2.590 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000793805490 1078304159 /nfs/dbraw/zinc/30/41/59/1078304159.db2.gz OOSAWPPWXMTAQU-ZDUSSCGKSA-N 1 1 413.428 2.690 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(Cc1ccc(C)c(C)c1)C1CC1 ZINC000793805345 1078304378 /nfs/dbraw/zinc/30/43/78/1078304378.db2.gz GKNBDQHWDNXKBQ-UHFFFAOYSA-N 1 1 417.513 3.000 20 0 HFADMO Cc1oc2ccccc2c1CNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000793807520 1078305162 /nfs/dbraw/zinc/30/51/62/1078305162.db2.gz RFNIUSQUPJIKOG-UHFFFAOYSA-N 1 1 403.442 2.563 20 0 HFADMO CCCOc1ccc(CNC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2C)c(C)c1 ZINC000793807346 1078305843 /nfs/dbraw/zinc/30/58/43/1078305843.db2.gz ZASPNSMZJUSGGS-UHFFFAOYSA-N 1 1 421.501 2.606 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H]1c2ccccc2CC[C@@H]1C ZINC000793806925 1078305857 /nfs/dbraw/zinc/30/58/57/1078305857.db2.gz VZZLGTYHEFIZCA-MGPUTAFESA-N 1 1 403.486 2.632 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000793790821 1078298064 /nfs/dbraw/zinc/29/80/64/1078298064.db2.gz NYBIYSUPRAWQNE-OTWHNJEPSA-N 1 1 401.551 2.648 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793793326 1078298953 /nfs/dbraw/zinc/29/89/53/1078298953.db2.gz QDCJBNXUNHQDTP-QKNQBKEWSA-N 1 1 409.530 2.658 20 0 HFADMO CSC[C@H]1CCCN(CN2C(=O)N[C@@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000793797917 1078301271 /nfs/dbraw/zinc/30/12/71/1078301271.db2.gz RTXBNVMAPPQBCU-SIKLNZKXSA-N 1 1 416.591 2.606 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000793808870 1078306659 /nfs/dbraw/zinc/30/66/59/1078306659.db2.gz NJWWYEJQHKTRAL-FQEVSTJZSA-N 1 1 403.486 2.850 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000793780916 1078310276 /nfs/dbraw/zinc/31/02/76/1078310276.db2.gz PCFHMALELYYTHV-ZRCGQRJVSA-N 1 1 423.557 2.905 20 0 HFADMO CC(C)(O)c1ccc(CNC(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793845320 1078312788 /nfs/dbraw/zinc/31/27/88/1078312788.db2.gz YZALYCHSPYPDKA-OAQYLSRUSA-N 1 1 423.557 2.559 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)[C@@H](C)C1 ZINC000793872430 1078329350 /nfs/dbraw/zinc/32/93/50/1078329350.db2.gz ABPILVYEKOYGKA-ROUUACIJSA-N 1 1 411.587 2.765 20 0 HFADMO Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000793872930 1078330181 /nfs/dbraw/zinc/33/01/81/1078330181.db2.gz DSOKTHZUZSNSIK-IRXDYDNUSA-N 1 1 400.475 2.507 20 0 HFADMO Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000793872930 1078330183 /nfs/dbraw/zinc/33/01/83/1078330183.db2.gz DSOKTHZUZSNSIK-IRXDYDNUSA-N 1 1 400.475 2.507 20 0 HFADMO C[C@H](CC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000793873908 1078330741 /nfs/dbraw/zinc/33/07/41/1078330741.db2.gz DJEQQBLRRGXYCR-KURKYZTESA-N 1 1 411.587 2.573 20 0 HFADMO CCCCCCn1nc(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c2ccccc2c1=O ZINC000793876549 1078331812 /nfs/dbraw/zinc/33/18/12/1078331812.db2.gz XPGOYZPVKRCFFW-ROUUACIJSA-N 1 1 414.550 2.504 20 0 HFADMO CCCCCCn1nc(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c2ccccc2c1=O ZINC000793876549 1078331816 /nfs/dbraw/zinc/33/18/16/1078331816.db2.gz XPGOYZPVKRCFFW-ROUUACIJSA-N 1 1 414.550 2.504 20 0 HFADMO C[C@@H](C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000793876059 1078332055 /nfs/dbraw/zinc/33/20/55/1078332055.db2.gz VFIVPPLONUFISO-PNYFIKQUSA-N 1 1 419.566 2.802 20 0 HFADMO C[C@@H](C(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000793876059 1078332058 /nfs/dbraw/zinc/33/20/58/1078332058.db2.gz VFIVPPLONUFISO-PNYFIKQUSA-N 1 1 419.566 2.802 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000793932480 1078341452 /nfs/dbraw/zinc/34/14/52/1078341452.db2.gz UIJSOHBOXKJXNP-WBVHZDCISA-N 1 1 400.910 2.611 20 0 HFADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)C1 ZINC000793912649 1078335958 /nfs/dbraw/zinc/33/59/58/1078335958.db2.gz ZXAOPTLSSUQIGG-SQNIBIBYSA-N 1 1 421.607 2.789 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000793886150 1078342725 /nfs/dbraw/zinc/34/27/25/1078342725.db2.gz IABLKVNUNCSWPW-CZUORRHYSA-N 1 1 416.526 2.598 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1Cc2ccnn2C[C@H](C(=O)NCC2CC2)C1 ZINC001170440513 1078350318 /nfs/dbraw/zinc/35/03/18/1078350318.db2.gz DCZRISBGEWWAKB-MOPGFXCFSA-N 1 1 410.518 2.591 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1Cc2ccnn2C[C@H](C(=O)NCC2CC2)C1 ZINC001170440513 1078350323 /nfs/dbraw/zinc/35/03/23/1078350323.db2.gz DCZRISBGEWWAKB-MOPGFXCFSA-N 1 1 410.518 2.591 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001170441684 1078356367 /nfs/dbraw/zinc/35/63/67/1078356367.db2.gz JKLCSFNCHBDDJB-QTGUNEKASA-N 1 1 400.519 2.744 20 0 HFADMO C[NH+](C)Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1Cl ZINC000794233369 1078389528 /nfs/dbraw/zinc/38/95/28/1078389528.db2.gz MJDLLBQUBYWTMK-OAQYLSRUSA-N 1 1 414.893 2.807 20 0 HFADMO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000794235884 1078389709 /nfs/dbraw/zinc/38/97/09/1078389709.db2.gz XKXXRFAWENKRDW-UHFFFAOYSA-N 1 1 401.898 2.775 20 0 HFADMO Cc1cnc([C@@H](C)[N@H+]2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1 ZINC000794292964 1078402564 /nfs/dbraw/zinc/40/25/64/1078402564.db2.gz MKULXOVWVYDHJU-MSOLQXFVSA-N 1 1 417.554 2.637 20 0 HFADMO CC[N@@H+]1CCN(C(=O)c2cnn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)[C@H](C)C1 ZINC000804378850 1078455375 /nfs/dbraw/zinc/45/53/75/1078455375.db2.gz CIULSALLBSJTDC-SJLPKXTDSA-N 1 1 405.543 2.621 20 0 HFADMO CC[N@H+]1CCN(C(=O)c2cnn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)[C@H](C)C1 ZINC000804378850 1078455378 /nfs/dbraw/zinc/45/53/78/1078455378.db2.gz CIULSALLBSJTDC-SJLPKXTDSA-N 1 1 405.543 2.621 20 0 HFADMO CN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000804656335 1078488726 /nfs/dbraw/zinc/48/87/26/1078488726.db2.gz CCYADAXTGXABBK-CQSZACIVSA-N 1 1 407.421 2.898 20 0 HFADMO C[C@@H](NC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)C(=O)NCCc1ccccc1 ZINC001129503640 1078494814 /nfs/dbraw/zinc/49/48/14/1078494814.db2.gz GEVBGHRDQCLYSP-SLFFLAALSA-N 1 1 423.557 2.773 20 0 HFADMO O=C(Cn1nnnc1-c1ccsc1)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001129486347 1078506381 /nfs/dbraw/zinc/50/63/81/1078506381.db2.gz HSBRMFGMLBUXTA-SFHVURJKSA-N 1 1 410.547 2.820 20 0 HFADMO O=C1[C@H]([N@H+]2CCC[C@H](N3CCOCC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC001170451837 1078506530 /nfs/dbraw/zinc/50/65/30/1078506530.db2.gz OEXURPKDEHBKMW-PKOBYXMFSA-N 1 1 409.477 2.580 20 0 HFADMO O=C(c1cccc(C2OCCO2)c1)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804447947 1078514645 /nfs/dbraw/zinc/51/46/45/1078514645.db2.gz KBNYINAPOAEYMZ-QHCPKHFHSA-N 1 1 421.541 2.764 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CCc1nc(C(C)C)no1 ZINC001129812670 1078510437 /nfs/dbraw/zinc/51/04/37/1078510437.db2.gz CWJWYFQYNUBZFI-RTBURBONSA-N 1 1 400.523 2.779 20 0 HFADMO CC[C@H](C)CC[C@@H](O)CC(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804448998 1078515922 /nfs/dbraw/zinc/51/59/22/1078515922.db2.gz SXSSTALXIOCVKV-MDNUFGMLSA-N 1 1 401.595 2.982 20 0 HFADMO CCn1nc(C)c(C(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1Cl ZINC000804448840 1078516730 /nfs/dbraw/zinc/51/67/30/1078516730.db2.gz QXMHZIMVQITXMS-LJQANCHMSA-N 1 1 415.969 2.897 20 0 HFADMO Cc1ccc([C@@H](O)[C@H](C)NC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000804474624 1078535057 /nfs/dbraw/zinc/53/50/57/1078535057.db2.gz DFLKAUCSFXWEEB-JXFKEZNVSA-N 1 1 405.539 2.522 20 0 HFADMO COc1cccc2c1CC[C@H]2NC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000804529199 1078566916 /nfs/dbraw/zinc/56/69/16/1078566916.db2.gz SKYMBMUHWDKBNX-BWKNWUBXSA-N 1 1 421.541 2.827 20 0 HFADMO Cc1cccc(C2N=NC(=S)N2CC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000804533742 1078571483 /nfs/dbraw/zinc/57/14/83/1078571483.db2.gz HLSZJVZHUZIUHM-UHFFFAOYSA-N 1 1 407.543 2.885 20 0 HFADMO COc1ccc(Cn2ncc3cc(C(=O)N(C)C[C@@H]4CCC[N@H+]4C)cnc32)c(OC)c1 ZINC001129905218 1078577143 /nfs/dbraw/zinc/57/71/43/1078577143.db2.gz KHNNZCCEJZYYOX-IBGZPJMESA-N 1 1 423.517 2.663 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000804776017 1078601770 /nfs/dbraw/zinc/60/17/70/1078601770.db2.gz UBQYEPSXRCIPOS-SLFFLAALSA-N 1 1 410.518 2.569 20 0 HFADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000804780711 1078605264 /nfs/dbraw/zinc/60/52/64/1078605264.db2.gz FMFVGKWTTFNHMC-HNNXBMFYSA-N 1 1 405.495 2.743 20 0 HFADMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)[C@@H]3CNC(=O)C[C@H]3C(F)(F)F)sc2C1 ZINC001129951068 1078626410 /nfs/dbraw/zinc/62/64/10/1078626410.db2.gz HYKBWVGIMPCAFW-NXEZZACHSA-N 1 1 404.458 2.553 20 0 HFADMO COCC(C)(C)[NH+]1CCN(C(=O)[C@@H](CC(C)C)N2Cc3ccccc3C2=O)CC1 ZINC001129928572 1078623125 /nfs/dbraw/zinc/62/31/25/1078623125.db2.gz ZMWSIJTUUDYKRG-HXUWFJFHSA-N 1 1 401.551 2.626 20 0 HFADMO C[NH+]1CCN(CC(=O)N[C@@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)CC1 ZINC000804576909 1078632269 /nfs/dbraw/zinc/63/22/69/1078632269.db2.gz PSDXLIOASIPHSL-INIZCTEOSA-N 1 1 403.741 2.943 20 0 HFADMO COc1ccc([C@@H](CC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)NC(C)=O)cc1 ZINC001129702495 1078661031 /nfs/dbraw/zinc/66/10/31/1078661031.db2.gz VAIDKLKQJYEEKK-FDDCHVKYSA-N 1 1 409.530 2.995 20 0 HFADMO COc1ccc([C@@H](CC(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)NC(C)=O)cc1 ZINC001129702495 1078661033 /nfs/dbraw/zinc/66/10/33/1078661033.db2.gz VAIDKLKQJYEEKK-FDDCHVKYSA-N 1 1 409.530 2.995 20 0 HFADMO CCOC(=O)c1ncc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2OCC)s1 ZINC001129971071 1078664582 /nfs/dbraw/zinc/66/45/82/1078664582.db2.gz SCTDKDYEVPJNJO-IAGOWNOFSA-N 1 1 417.531 2.587 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(C(F)(F)F)nn1C ZINC001129970930 1078664605 /nfs/dbraw/zinc/66/46/05/1078664605.db2.gz LTFDTBGBBQXLCM-NVXWUHKLSA-N 1 1 410.440 2.706 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000804829414 1078669315 /nfs/dbraw/zinc/66/93/15/1078669315.db2.gz TYUMIHWWIFZHOL-HXUWFJFHSA-N 1 1 422.573 2.882 20 0 HFADMO COC(=O)c1cnc(N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC000804625837 1078678550 /nfs/dbraw/zinc/67/85/50/1078678550.db2.gz GLCBRBAPZNEVNT-HXUWFJFHSA-N 1 1 423.435 2.960 20 0 HFADMO 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/nfs/dbraw/zinc/99/59/59/1078995959.db2.gz LDHZHBYLDYMFAU-SIKLNZKXSA-N 1 1 400.523 2.525 20 0 HFADMO CCOC(=O)N1CCC([C@H](C)NC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)CC1 ZINC000805314632 1079015432 /nfs/dbraw/zinc/01/54/32/1079015432.db2.gz OHPWHAXPSNPFAI-KRWDZBQOSA-N 1 1 408.543 3.000 20 0 HFADMO CC[C@@H]1CN(C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)S1(=O)=O ZINC000805437010 1079063846 /nfs/dbraw/zinc/06/38/46/1079063846.db2.gz FTUGRGYREZRZFB-DSKINZAPSA-N 1 1 407.580 2.506 20 0 HFADMO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000805417700 1079078169 /nfs/dbraw/zinc/07/81/69/1079078169.db2.gz JSCQBZRUXZGDDP-LEWJYISDSA-N 1 1 417.550 2.795 20 0 HFADMO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000805417700 1079078172 /nfs/dbraw/zinc/07/81/72/1079078172.db2.gz JSCQBZRUXZGDDP-LEWJYISDSA-N 1 1 417.550 2.795 20 0 HFADMO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130260653 1079125985 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CCCCOC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000805811039 1079286032 /nfs/dbraw/zinc/28/60/32/1079286032.db2.gz MCFGRMWPCXKGJE-GOSISDBHSA-N 1 1 401.507 2.526 20 0 HFADMO CCCCOC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000805811039 1079286040 /nfs/dbraw/zinc/28/60/40/1079286040.db2.gz MCFGRMWPCXKGJE-GOSISDBHSA-N 1 1 401.507 2.526 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c(Cl)cc1Cl ZINC000747273349 1079303890 /nfs/dbraw/zinc/30/38/90/1079303890.db2.gz MEPNUBIRHVGWRD-NSHDSACASA-N 1 1 409.335 2.742 20 0 HFADMO COC(=O)[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[C@H](OC)C1 ZINC001130411673 1079313104 /nfs/dbraw/zinc/31/31/04/1079313104.db2.gz YZXPPJXZZCVTTR-MXEMCNAFSA-N 1 1 402.535 2.762 20 0 HFADMO COC(=O)[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[C@H](OC)C1 ZINC001130411672 1079313192 /nfs/dbraw/zinc/31/31/92/1079313192.db2.gz YZXPPJXZZCVTTR-JSXRDJHFSA-N 1 1 402.535 2.762 20 0 HFADMO 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Cc1cccc(Cn2[nH]ccc2=NC(=O)CN[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000787692844 1076914769 /nfs/dbraw/zinc/91/47/69/1076914769.db2.gz XVRDDIYQMPYTNM-ZJSXRUAMSA-N 1 1 403.530 2.635 20 0 HFADMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)C1 ZINC000787707469 1076919789 /nfs/dbraw/zinc/91/97/89/1076919789.db2.gz FVCBLDLSISYNSU-KCXPTXFHSA-N 1 1 411.587 2.764 20 0 HFADMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000787708171 1076920720 /nfs/dbraw/zinc/92/07/20/1076920720.db2.gz SFSHLXGZNCSDTH-VGOFRKELSA-N 1 1 405.539 2.934 20 0 HFADMO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000787708171 1076920723 /nfs/dbraw/zinc/92/07/23/1076920723.db2.gz SFSHLXGZNCSDTH-VGOFRKELSA-N 1 1 405.539 2.934 20 0 HFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)C1 ZINC000787710048 1076921687 /nfs/dbraw/zinc/92/16/87/1076921687.db2.gz ZPHSOUXREWXAHL-RDGPPVDQSA-N 1 1 421.607 2.647 20 0 HFADMO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000787728552 1076933254 /nfs/dbraw/zinc/93/32/54/1076933254.db2.gz KYEYNGMBNIEZCH-HLLQZAQXSA-N 1 1 400.450 2.757 20 0 HFADMO C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000787728552 1076933258 /nfs/dbraw/zinc/93/32/58/1076933258.db2.gz KYEYNGMBNIEZCH-HLLQZAQXSA-N 1 1 400.450 2.757 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000787869791 1076967652 /nfs/dbraw/zinc/96/76/52/1076967652.db2.gz DDFQPSXJPULHQT-MRXNPFEDSA-N 1 1 421.501 2.857 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NCc1c(Cl)cccc1Cl ZINC000787893996 1076974321 /nfs/dbraw/zinc/97/43/21/1076974321.db2.gz XVKSPVZMGWJDJZ-UHFFFAOYSA-N 1 1 418.284 2.815 20 0 HFADMO Cc1ccc(N2CCN(C(=O)C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)CC2)cc1C ZINC000787905665 1076989238 /nfs/dbraw/zinc/98/92/38/1076989238.db2.gz ZALUYIORVHUBAW-NRFANRHFSA-N 1 1 414.594 2.723 20 0 HFADMO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)CCC2 ZINC000787913039 1076992887 /nfs/dbraw/zinc/99/28/87/1076992887.db2.gz UXJAHEKSAZRINT-HKUYNNGSSA-N 1 1 403.571 2.586 20 0 HFADMO COc1ccc(OC)c2c1CN(C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)C[C@H]2O ZINC000788011479 1077027808 /nfs/dbraw/zinc/02/78/08/1077027808.db2.gz JSYXXIGZMYWWKM-TZIWHRDSSA-N 1 1 412.530 2.844 20 0 HFADMO CCCC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000788038962 1077037111 /nfs/dbraw/zinc/03/71/11/1077037111.db2.gz AHXPZZYUDDATJS-OAHLLOKOSA-N 1 1 417.597 2.580 20 0 HFADMO CC(C)[C@@H]1C[N@H+](C)CCN1CN1C(=O)C(=O)c2c1ccc(Br)c2Cl ZINC000788045176 1077040061 /nfs/dbraw/zinc/04/00/61/1077040061.db2.gz DHOCGNZWHKACPJ-ZDUSSCGKSA-N 1 1 414.731 2.861 20 0 HFADMO CC(C)[C@@H]1C[N@@H+](C)CCN1CN1C(=O)C(=O)c2c1ccc(Br)c2Cl ZINC000788045176 1077040068 /nfs/dbraw/zinc/04/00/68/1077040068.db2.gz DHOCGNZWHKACPJ-ZDUSSCGKSA-N 1 1 414.731 2.861 20 0 HFADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2cnn(-c3ccccc3Cl)c2)CC1 ZINC000746726860 1077050457 /nfs/dbraw/zinc/05/04/57/1077050457.db2.gz ZBCNCFRIIGFAOS-AWEZNQCLSA-N 1 1 405.886 2.627 20 0 HFADMO COc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)CC(C)(C)CC(C)=O)CC2)cc1 ZINC000788148530 1077065251 /nfs/dbraw/zinc/06/52/51/1077065251.db2.gz KIYQSPQBGMXCJR-UHFFFAOYSA-N 1 1 418.534 2.668 20 0 HFADMO Cn1cc[nH+]c1N1CCC(NC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000788174656 1077066716 /nfs/dbraw/zinc/06/67/16/1077066716.db2.gz DVRVKFHLWMKVHG-UHFFFAOYSA-N 1 1 417.513 2.602 20 0 HFADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)CC3CCC4(CC3)OCCO4)c2)CCO1 ZINC000788174050 1077066727 /nfs/dbraw/zinc/06/67/27/1077066727.db2.gz HZTGOQIXSXCXAK-SFHVURJKSA-N 1 1 402.535 2.847 20 0 HFADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)CC3CCC4(CC3)OCCO4)c2)CCO1 ZINC000788174050 1077066733 /nfs/dbraw/zinc/06/67/33/1077066733.db2.gz HZTGOQIXSXCXAK-SFHVURJKSA-N 1 1 402.535 2.847 20 0 HFADMO CCCCc1ccc(N2C[C@H](C(=O)NC3CCN(c4[nH+]ccn4C)CC3)CC2=O)cc1 ZINC000788174979 1077067003 /nfs/dbraw/zinc/06/70/03/1077067003.db2.gz FCHAIVVVPAPMMZ-LJQANCHMSA-N 1 1 423.561 2.901 20 0 HFADMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000788305249 1077093028 /nfs/dbraw/zinc/09/30/28/1077093028.db2.gz ONZXRRPLLKEDAP-UIFIKXQLSA-N 1 1 424.545 2.672 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3cc(Br)n[nH]3)cc2)C[C@H](C)O1 ZINC000788282553 1077097429 /nfs/dbraw/zinc/09/74/29/1077097429.db2.gz ZNISFZRSIYDHFG-BETUJISGSA-N 1 1 407.312 2.711 20 0 HFADMO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(OCCS(C)(=O)=O)c2)[C@@H]1c1ccccc1 ZINC000788288190 1077098897 /nfs/dbraw/zinc/09/88/97/1077098897.db2.gz ZDXVQFGXXWZZJN-UXHICEINSA-N 1 1 417.531 2.677 20 0 HFADMO Cn1ccc2cccc(NC(=O)C(=O)Nc3ccc(N4CCC[N@@H+](C)CC4)cc3)c21 ZINC000788339834 1077108715 /nfs/dbraw/zinc/10/87/15/1077108715.db2.gz AGFNHEFANSPNLI-UHFFFAOYSA-N 1 1 405.502 2.897 20 0 HFADMO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cn2nc(-c3cnn(C)c3)ccc2=O)CC1 ZINC000788362266 1077126799 /nfs/dbraw/zinc/12/67/99/1077126799.db2.gz IAWAFGOAUKOTIP-INIZCTEOSA-N 1 1 412.925 2.634 20 0 HFADMO O=C(CC1CCC2(CC1)OCCO2)OCCN1CC[NH+](Cc2ccsc2)CC1 ZINC000788366512 1077128562 /nfs/dbraw/zinc/12/85/62/1077128562.db2.gz WBMWNGFSPDXTKB-UHFFFAOYSA-N 1 1 408.564 2.732 20 0 HFADMO Cc1nc(-c2ccc(Br)cc2Cl)nn1C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000788380576 1077136007 /nfs/dbraw/zinc/13/60/07/1077136007.db2.gz CPHPMERJXPBQIW-QGZVFWFLSA-N 1 1 424.730 2.839 20 0 HFADMO O=c1c(Br)nn(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c2ccccc12 ZINC000788380324 1077136134 /nfs/dbraw/zinc/13/61/34/1077136134.db2.gz FRPZVZYBNSRZOD-CQSZACIVSA-N 1 1 401.264 2.665 20 0 HFADMO Cc1ccc(O[C@@H](C)CNC(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000788414216 1077157701 /nfs/dbraw/zinc/15/77/01/1077157701.db2.gz VMBZKCNYOCIYAH-NBGIEHNGSA-N 1 1 423.557 2.907 20 0 HFADMO C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1nc(Br)ccc1F ZINC000788565949 1077208200 /nfs/dbraw/zinc/20/82/00/1077208200.db2.gz XECXRKXCFDWHST-WDEREUQCSA-N 1 1 413.243 2.802 20 0 HFADMO Cc1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c(Cl)n1 ZINC000788596253 1077216966 /nfs/dbraw/zinc/21/69/66/1077216966.db2.gz MIYCIYDULBIQPV-UHFFFAOYSA-N 1 1 408.955 2.534 20 0 HFADMO COC(=O)c1sc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(C)c1Cl ZINC000788653186 1077227204 /nfs/dbraw/zinc/22/72/04/1077227204.db2.gz QHEGBIXOPHOVIF-RYUDHWBXSA-N 1 1 406.957 2.601 20 0 HFADMO COC(=O)c1sc(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(C)c1Cl ZINC000788622422 1077232887 /nfs/dbraw/zinc/23/28/87/1077232887.db2.gz CBMNOBGVDBGRFW-LBPRGKRZSA-N 1 1 406.957 2.745 20 0 HFADMO COC(=O)c1sc(S(=O)(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c(C)c1Cl ZINC000788677682 1077247299 /nfs/dbraw/zinc/24/72/99/1077247299.db2.gz VYUCHYFMQROOFI-QWRGUYRKSA-N 1 1 408.973 2.895 20 0 HFADMO CCC(C)(C)c1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000790960498 1077254793 /nfs/dbraw/zinc/25/47/93/1077254793.db2.gz ZQNKXNVUJVCJEC-NRFANRHFSA-N 1 1 414.594 2.940 20 0 HFADMO CCC(C)(C)c1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000790960498 1077254801 /nfs/dbraw/zinc/25/48/01/1077254801.db2.gz ZQNKXNVUJVCJEC-NRFANRHFSA-N 1 1 414.594 2.940 20 0 HFADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000788663816 1077259149 /nfs/dbraw/zinc/25/91/49/1077259149.db2.gz XLRJZTNNAROWDH-CVEARBPZSA-N 1 1 410.559 2.673 20 0 HFADMO Cc1cc(NC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)ccc1N1CCSCC1 ZINC000790975594 1077268147 /nfs/dbraw/zinc/26/81/47/1077268147.db2.gz RDZYOLAJUIXOCD-IBGZPJMESA-N 1 1 418.607 2.723 20 0 HFADMO COC[C@@H](NC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C)o1 ZINC000746759157 1077270617 /nfs/dbraw/zinc/27/06/17/1077270617.db2.gz QAIHFLRXCPCNBE-QGZVFWFLSA-N 1 1 424.542 2.518 20 0 HFADMO Cc1cc(C)c(N2CC[C@@H](NC(=O)NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2=O)c(C)c1 ZINC000788698308 1077275627 /nfs/dbraw/zinc/27/56/27/1077275627.db2.gz ZHMHNUUDEMLHCJ-HSALFYBXSA-N 1 1 416.566 2.516 20 0 HFADMO C=CC(=O)Nc1ccc(C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)cc1 ZINC000791030391 1077276588 /nfs/dbraw/zinc/27/65/88/1077276588.db2.gz UPBKWUUXHNVRFR-UHFFFAOYSA-N 1 1 406.446 2.724 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cnc(Br)c(Cl)c1 ZINC000791031696 1077276722 /nfs/dbraw/zinc/27/67/22/1077276722.db2.gz NZGWNDUVACEDJL-LLVKDONJSA-N 1 1 402.720 2.823 20 0 HFADMO C[C@@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O)[N@H+]1CCc2ccccc2C1 ZINC000788730578 1077284147 /nfs/dbraw/zinc/28/41/47/1077284147.db2.gz APAUPROPDZXRKB-WMZHIEFXSA-N 1 1 420.557 2.876 20 0 HFADMO COc1ccc(C2N=NC(=S)N2CCC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000791058292 1077285482 /nfs/dbraw/zinc/28/54/82/1077285482.db2.gz CPSIGWHIIULDAS-KRWDZBQOSA-N 1 1 417.579 2.869 20 0 HFADMO COc1cccc([C@H](C)[NH+]2CCN(CN3C(=O)C[C@H](Cc4ccccc4)C3=O)CC2)c1 ZINC000788770738 1077286680 /nfs/dbraw/zinc/28/66/80/1077286680.db2.gz JVPOGDBRCKXWGT-UGKGYDQZSA-N 1 1 421.541 2.949 20 0 HFADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000788745991 1077288344 /nfs/dbraw/zinc/28/83/44/1077288344.db2.gz BOWPXJSMRXABCD-UYAOXDASSA-N 1 1 400.567 2.939 20 0 HFADMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000788793723 1077289999 /nfs/dbraw/zinc/28/99/99/1077289999.db2.gz DBUYTMXIRLAJBV-HOCLYGCPSA-N 1 1 409.452 2.622 20 0 HFADMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000788793721 1077290048 /nfs/dbraw/zinc/29/00/48/1077290048.db2.gz DBUYTMXIRLAJBV-GDBMZVCRSA-N 1 1 409.452 2.622 20 0 HFADMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000788793722 1077290101 /nfs/dbraw/zinc/29/01/01/1077290101.db2.gz DBUYTMXIRLAJBV-GOEBONIOSA-N 1 1 409.452 2.622 20 0 HFADMO O=C(NC[C@H]1CCC[N@H+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)C1)c1ccccc1 ZINC000788772954 1077296261 /nfs/dbraw/zinc/29/62/61/1077296261.db2.gz VKTFQYULLLJKTF-IFMALSPDSA-N 1 1 419.525 2.704 20 0 HFADMO O=C(NC[C@H]1CCC[N@@H+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)C1)c1ccccc1 ZINC000788772954 1077296267 /nfs/dbraw/zinc/29/62/67/1077296267.db2.gz VKTFQYULLLJKTF-IFMALSPDSA-N 1 1 419.525 2.704 20 0 HFADMO CCN(C[C@@H]1CC[N@H+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)C1)CC(F)(F)F ZINC000788773971 1077297055 /nfs/dbraw/zinc/29/70/55/1077297055.db2.gz ZGOCUCJPCSLJFC-ZWKOTPCHSA-N 1 1 411.468 2.768 20 0 HFADMO CCN(C[C@@H]1CC[N@@H+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)C1)CC(F)(F)F ZINC000788773971 1077297062 /nfs/dbraw/zinc/29/70/62/1077297062.db2.gz ZGOCUCJPCSLJFC-ZWKOTPCHSA-N 1 1 411.468 2.768 20 0 HFADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)C1 ZINC000788777067 1077298032 /nfs/dbraw/zinc/29/80/32/1077298032.db2.gz JPHXLVYHPRVVJZ-UHOSZYNNSA-N 1 1 415.534 2.797 20 0 HFADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)C1 ZINC000788777067 1077298038 /nfs/dbraw/zinc/29/80/38/1077298038.db2.gz JPHXLVYHPRVVJZ-UHOSZYNNSA-N 1 1 415.534 2.797 20 0 HFADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000788814730 1077306638 /nfs/dbraw/zinc/30/66/38/1077306638.db2.gz UDYNBDKOSHBWPT-SFTDATJTSA-N 1 1 400.567 2.797 20 0 HFADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000788851076 1077320104 /nfs/dbraw/zinc/32/01/04/1077320104.db2.gz SKASYAWTXVXUFX-FXAWDEMLSA-N 1 1 418.538 2.702 20 0 HFADMO CC(C)[C@@H](CNC(=O)N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1)[NH+]1CCOCC1 ZINC000788853298 1077320822 /nfs/dbraw/zinc/32/08/22/1077320822.db2.gz JQCSLOFTELQYTI-FXAWDEMLSA-N 1 1 418.538 2.702 20 0 HFADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cc4ccccc4c(Cl)n3)CC2)CC1 ZINC000772772112 1077367395 /nfs/dbraw/zinc/36/73/95/1077367395.db2.gz UKGSFCNHEFGOIX-UHFFFAOYSA-N 1 1 414.937 2.905 20 0 HFADMO Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CCN(c4c(C)cc(C)cc4C)C3=O)CC2)c1 ZINC000788934357 1077368350 /nfs/dbraw/zinc/36/83/50/1077368350.db2.gz WGAONGMMJFTFRM-HXUWFJFHSA-N 1 1 421.545 2.952 20 0 HFADMO COC(=O)[C@@]1(NC(=O)C[C@H](O)c2cccc(F)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000772771933 1077372529 /nfs/dbraw/zinc/37/25/29/1077372529.db2.gz DOMYXTYTMLUSQT-NZQKXSOJSA-N 1 1 414.477 2.573 20 0 HFADMO O=C(COC(=O)c1cccnc1F)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000789008527 1077374043 /nfs/dbraw/zinc/37/40/43/1077374043.db2.gz UPMCVFKJPRDZCD-UHFFFAOYSA-N 1 1 407.445 2.875 20 0 HFADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Cc1cccnc1Br ZINC000791369369 1077384506 /nfs/dbraw/zinc/38/45/06/1077384506.db2.gz INZVRHYPGYHCIM-MRXNPFEDSA-N 1 1 417.351 2.714 20 0 HFADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)c2c[nH]nc2-c2ccoc2)CC1 ZINC000789082183 1077399539 /nfs/dbraw/zinc/39/95/39/1077399539.db2.gz LMZDECDSUFKKME-MRXNPFEDSA-N 1 1 408.458 2.732 20 0 HFADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)C[C@@H](O)c3cccc(F)c3)C2)cc(OC)c1 ZINC000772774405 1077406836 /nfs/dbraw/zinc/40/68/36/1077406836.db2.gz RCEIBWQGMGDXGJ-GHTZIAJQSA-N 1 1 402.466 2.657 20 0 HFADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)C[C@@H](O)c3cccc(F)c3)C2)cc(OC)c1 ZINC000772774405 1077406840 /nfs/dbraw/zinc/40/68/40/1077406840.db2.gz RCEIBWQGMGDXGJ-GHTZIAJQSA-N 1 1 402.466 2.657 20 0 HFADMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](CCS(=O)(=O)Cc3ccccc3)C2)nc1 ZINC000791477420 1077419085 /nfs/dbraw/zinc/41/90/85/1077419085.db2.gz NODPLLOUNXQMNJ-LJQANCHMSA-N 1 1 401.532 2.656 20 0 HFADMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CCS(=O)(=O)Cc3ccccc3)C2)nc1 ZINC000791477420 1077419090 /nfs/dbraw/zinc/41/90/90/1077419090.db2.gz NODPLLOUNXQMNJ-LJQANCHMSA-N 1 1 401.532 2.656 20 0 HFADMO Cc1nc(CC2CC2)oc1C(=O)O[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000789153154 1077436868 /nfs/dbraw/zinc/43/68/68/1077436868.db2.gz VVWPHTINRPCPPB-QFBILLFUSA-N 1 1 411.502 2.872 20 0 HFADMO COc1ccc(NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)cc1OC1CCCC1 ZINC000746789627 1077445235 /nfs/dbraw/zinc/44/52/35/1077445235.db2.gz KDAYYVZAZIQKCC-UHFFFAOYSA-N 1 1 401.507 2.509 20 0 HFADMO C[N@H+](CCS(=O)(=O)Cc1ccccc1)C1CCN(CCc2ccccn2)CC1 ZINC000791473903 1077445407 /nfs/dbraw/zinc/44/54/07/1077445407.db2.gz QAGYYWKMLQHAIQ-UHFFFAOYSA-N 1 1 401.576 2.635 20 0 HFADMO C[N@@H+](CCS(=O)(=O)Cc1ccccc1)C1CCN(CCc2ccccn2)CC1 ZINC000791473903 1077445410 /nfs/dbraw/zinc/44/54/10/1077445410.db2.gz QAGYYWKMLQHAIQ-UHFFFAOYSA-N 1 1 401.576 2.635 20 0 HFADMO CN(CCS(=O)(=O)Cc1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000791473903 1077445413 /nfs/dbraw/zinc/44/54/13/1077445413.db2.gz QAGYYWKMLQHAIQ-UHFFFAOYSA-N 1 1 401.576 2.635 20 0 HFADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)COc2ccc(Cl)c3ccccc23)CC1 ZINC000791509870 1077449206 /nfs/dbraw/zinc/44/92/06/1077449206.db2.gz YZQXFEWEQDRBBL-OAHLLOKOSA-N 1 1 404.894 2.968 20 0 HFADMO CCC1=C(C(=O)O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CCCO1 ZINC000791539348 1077458464 /nfs/dbraw/zinc/45/84/64/1077458464.db2.gz JESAIKYDCWJVFL-KRWDZBQOSA-N 1 1 416.518 2.541 20 0 HFADMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000747021805 1077472481 /nfs/dbraw/zinc/47/24/81/1077472481.db2.gz KZKASJCDLNAVKS-UHFFFAOYSA-N 1 1 424.954 2.792 20 0 HFADMO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCN(CC(F)(F)F)C3)cc2Cl)CC1 ZINC000791553287 1077475318 /nfs/dbraw/zinc/47/53/18/1077475318.db2.gz MNAFRDPQPSRYOG-ZDUSSCGKSA-N 1 1 404.864 2.915 20 0 HFADMO Cc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)[C@@H]3CCC(=O)c4cccn43)CC2)cc1 ZINC000789227828 1077483712 /nfs/dbraw/zinc/48/37/12/1077483712.db2.gz MYCDINIIZLZIEL-NRFANRHFSA-N 1 1 423.513 2.592 20 0 HFADMO Cn1nnnc1COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000789279576 1077494351 /nfs/dbraw/zinc/49/43/51/1077494351.db2.gz XKTZGOFJIHXKPR-RBUKOAKNSA-N 1 1 411.893 2.823 20 0 HFADMO CSc1ccccc1C[N@@H+](C)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000791599383 1077498034 /nfs/dbraw/zinc/49/80/34/1077498034.db2.gz QZHUZZISCNINBI-UHFFFAOYSA-N 1 1 404.536 2.516 20 0 HFADMO Cc1cccc(N2C[C@@H](C(=O)OCCC[NH+]3CCN(C(C)C)CC3)CC2=O)c1C ZINC000791602437 1077500926 /nfs/dbraw/zinc/50/09/26/1077500926.db2.gz NCCKEHDNTFTOPV-FQEVSTJZSA-N 1 1 401.551 2.616 20 0 HFADMO Cc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)C(F)(F)C3CCOCC3)CC2)cc1 ZINC000791602581 1077500979 /nfs/dbraw/zinc/50/09/79/1077500979.db2.gz HHRVYNTXYUVUBQ-UHFFFAOYSA-N 1 1 424.488 2.634 20 0 HFADMO Cc1ccc([C@@H]2CC[N@@H+](CC(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)C2)c(C)c1 ZINC000791603710 1077501702 /nfs/dbraw/zinc/50/17/02/1077501702.db2.gz HDKWZPDSFLMLGK-AWVSAENJSA-N 1 1 412.534 2.625 20 0 HFADMO Cc1ccc([C@@H]2CC[N@H+](CC(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)C2)c(C)c1 ZINC000791603710 1077501706 /nfs/dbraw/zinc/50/17/06/1077501706.db2.gz HDKWZPDSFLMLGK-AWVSAENJSA-N 1 1 412.534 2.625 20 0 HFADMO CC(C)(C)OC(=O)NCCC[N@H+](Cc1ccccc1)Cc1cc(=O)n2nccc2[nH]1 ZINC000791646402 1077509151 /nfs/dbraw/zinc/50/91/51/1077509151.db2.gz ACZRBUGDKPKDSC-UHFFFAOYSA-N 1 1 411.506 2.940 20 0 HFADMO CC[C@@H](C)[C@@H](NC(=O)C[NH+]1CCC(COc2ccc(Cl)nc2)CC1)C(=O)OC ZINC000789316018 1077511575 /nfs/dbraw/zinc/51/15/75/1077511575.db2.gz VSZKMDJBHFNPGT-AUUYWEPGSA-N 1 1 411.930 2.530 20 0 HFADMO C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)C2)O1 ZINC000789352411 1077513225 /nfs/dbraw/zinc/51/32/25/1077513225.db2.gz NGRRTFFZEMMNBP-FCGDIQPGSA-N 1 1 409.571 2.782 20 0 HFADMO C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)O1 ZINC000789352416 1077513463 /nfs/dbraw/zinc/51/34/63/1077513463.db2.gz NGRRTFFZEMMNBP-MKXGPGLRSA-N 1 1 409.571 2.782 20 0 HFADMO CSc1ccc(N2C[C@@H](C(=O)OCCC[NH+]3CCN(C(C)C)CC3)CC2=O)cc1 ZINC000791674762 1077524838 /nfs/dbraw/zinc/52/48/38/1077524838.db2.gz KJDVJFYEXXVDPQ-SFHVURJKSA-N 1 1 419.591 2.721 20 0 HFADMO COc1nc(Br)ccc1NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000789381924 1077529449 /nfs/dbraw/zinc/52/94/49/1077529449.db2.gz RHYSLUIUBYSIPV-UHFFFAOYSA-N 1 1 415.332 2.675 20 0 HFADMO Cc1ccc(C(=O)N2CCC[C@@H](C(=O)OCCC[NH+]3CCN(C(C)C)CC3)C2)cc1 ZINC000791704211 1077533422 /nfs/dbraw/zinc/53/34/22/1077533422.db2.gz UHBHHDAKXQYSDJ-JOCHJYFZSA-N 1 1 415.578 2.807 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)Nc1nc2c(s1)CCCCCC2 ZINC000789389460 1077534166 /nfs/dbraw/zinc/53/41/66/1077534166.db2.gz UUJFSMLQOYUJLX-UHFFFAOYSA-N 1 1 424.530 2.946 20 0 HFADMO COC(=O)C1(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)CCCCC1 ZINC000789364661 1077539513 /nfs/dbraw/zinc/53/95/13/1077539513.db2.gz PISGOISBMZPWTL-INIZCTEOSA-N 1 1 417.506 2.628 20 0 HFADMO COC(=O)C1(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)CCCCC1 ZINC000789364661 1077539515 /nfs/dbraw/zinc/53/95/15/1077539515.db2.gz PISGOISBMZPWTL-INIZCTEOSA-N 1 1 417.506 2.628 20 0 HFADMO CC(C)(C)OC(=O)c1ccccc1OCC[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000789370623 1077542317 /nfs/dbraw/zinc/54/23/17/1077542317.db2.gz NQEWZWISERBKQD-KRWDZBQOSA-N 1 1 424.563 2.521 20 0 HFADMO CC(C)(C)OC(=O)c1ccccc1OCC[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000789370623 1077542319 /nfs/dbraw/zinc/54/23/19/1077542319.db2.gz NQEWZWISERBKQD-KRWDZBQOSA-N 1 1 424.563 2.521 20 0 HFADMO CCCCNC(=O)[C@@H]1CCC[N@H+](CN2C(=O)N[C@](CCC(C)C)(C3CC3)C2=O)C1 ZINC000789425887 1077555454 /nfs/dbraw/zinc/55/54/54/1077555454.db2.gz RITGNESKOYKPFH-VGOFRKELSA-N 1 1 406.571 2.709 20 0 HFADMO CCCCNC(=O)[C@@H]1CCC[N@@H+](CN2C(=O)N[C@](CCC(C)C)(C3CC3)C2=O)C1 ZINC000789425887 1077555457 /nfs/dbraw/zinc/55/54/57/1077555457.db2.gz RITGNESKOYKPFH-VGOFRKELSA-N 1 1 406.571 2.709 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000791821758 1077562663 /nfs/dbraw/zinc/56/26/63/1077562663.db2.gz DHBOGDCSUWYIKE-MBSDFSHPSA-N 1 1 423.513 2.835 20 0 HFADMO CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000791828354 1077576201 /nfs/dbraw/zinc/57/62/01/1077576201.db2.gz MRBPXELHKWJRFT-QGZVFWFLSA-N 1 1 404.507 2.871 20 0 HFADMO CC(C)CC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)C1=O ZINC000789445797 1077577032 /nfs/dbraw/zinc/57/70/32/1077577032.db2.gz VXLQEJNJDTZKTE-DHIUTWEWSA-N 1 1 410.518 2.677 20 0 HFADMO CC(C)CC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)C1=O ZINC000789445797 1077577039 /nfs/dbraw/zinc/57/70/39/1077577039.db2.gz VXLQEJNJDTZKTE-DHIUTWEWSA-N 1 1 410.518 2.677 20 0 HFADMO O=C(CN1CCc2ccccc2C1=O)O[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000789461708 1077583474 /nfs/dbraw/zinc/58/34/74/1077583474.db2.gz DUKYIZNUNRUCLU-QFIPXVFZSA-N 1 1 404.510 2.991 20 0 HFADMO Cc1c(C(=O)OCCC[NH+]2CCN(C(C)C)CC2)nnn1-c1ccc(F)c(Cl)c1 ZINC000791884798 1077585982 /nfs/dbraw/zinc/58/59/82/1077585982.db2.gz QQWHDQOTMMNYMX-UHFFFAOYSA-N 1 1 423.920 2.941 20 0 HFADMO Cc1c(C(=O)OCCC[NH+]2CCN(C(C)C)CC2)nnn1-c1cccc2cnccc21 ZINC000791886333 1077586367 /nfs/dbraw/zinc/58/63/67/1077586367.db2.gz ZJFDZQASHSGCKC-UHFFFAOYSA-N 1 1 422.533 2.697 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@H](c2ccccc2)N2CCSCC2)CC1 ZINC000791930676 1077597685 /nfs/dbraw/zinc/59/76/85/1077597685.db2.gz MRZSZHHVOPQGEQ-NRFANRHFSA-N 1 1 405.608 2.736 20 0 HFADMO CCOC(=O)c1ccc(Cl)nc1N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001170161276 1077608423 /nfs/dbraw/zinc/60/84/23/1077608423.db2.gz GIAMKNGLMDYWDA-UHFFFAOYSA-N 1 1 403.870 2.780 20 0 HFADMO CCNC(=O)C[C@H]1CCCC[N@@H+]1CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000789521362 1077616817 /nfs/dbraw/zinc/61/68/17/1077616817.db2.gz TVZRMCOMESDKAB-HYBUGGRVSA-N 1 1 422.529 2.945 20 0 HFADMO CCNC(=O)C[C@H]1CCCC[N@H+]1CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000789521362 1077616821 /nfs/dbraw/zinc/61/68/21/1077616821.db2.gz TVZRMCOMESDKAB-HYBUGGRVSA-N 1 1 422.529 2.945 20 0 HFADMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000791975537 1077617280 /nfs/dbraw/zinc/61/72/80/1077617280.db2.gz ZIBOXOJKYYPODZ-VKRLORBYSA-N 1 1 409.530 2.695 20 0 HFADMO C[C@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(C[N@@H+]2CC[C@]3(C2)CCCOC3)C1=O ZINC000789547369 1077639595 /nfs/dbraw/zinc/63/95/95/1077639595.db2.gz VRBKHELIBBHEDI-MOPGFXCFSA-N 1 1 411.424 2.932 20 0 HFADMO C[C@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(C[N@H+]2CC[C@]3(C2)CCCOC3)C1=O ZINC000789547369 1077639598 /nfs/dbraw/zinc/63/95/98/1077639598.db2.gz VRBKHELIBBHEDI-MOPGFXCFSA-N 1 1 411.424 2.932 20 0 HFADMO CCOC(=O)c1cc(Cl)cc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)n1 ZINC001170161775 1077640887 /nfs/dbraw/zinc/64/08/87/1077640887.db2.gz LAYDVVNPWPEDBU-UHFFFAOYSA-N 1 1 403.870 2.780 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2cccc(N3CCCC3=O)c2)CC1 ZINC000792026468 1077656754 /nfs/dbraw/zinc/65/67/54/1077656754.db2.gz VTYZQNSMNRWMSJ-UHFFFAOYSA-N 1 1 416.522 2.695 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCCc2nc3ccccc3s2)CC1 ZINC000792029716 1077657354 /nfs/dbraw/zinc/65/73/54/1077657354.db2.gz IVOGICUWZFCIOC-UHFFFAOYSA-N 1 1 418.563 2.898 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)C2)c1 ZINC000792056677 1077662003 /nfs/dbraw/zinc/66/20/03/1077662003.db2.gz HXWMZURUJWRKGN-IIBYNOLFSA-N 1 1 403.523 2.825 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000792057236 1077663579 /nfs/dbraw/zinc/66/35/79/1077663579.db2.gz NWBPGYMDFAVQER-HRAATJIYSA-N 1 1 403.523 2.968 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCCCC[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000792057240 1077663669 /nfs/dbraw/zinc/66/36/69/1077663669.db2.gz NWBPGYMDFAVQER-IIBYNOLFSA-N 1 1 403.523 2.968 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000792057014 1077664127 /nfs/dbraw/zinc/66/41/27/1077664127.db2.gz LSUGZUSFBOGVRX-WZONZLPQSA-N 1 1 423.513 2.978 20 0 HFADMO CNC(=O)c1cc(Cl)ccc1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792060457 1077667027 /nfs/dbraw/zinc/66/70/27/1077667027.db2.gz VZKFHGXMACKZEM-UHFFFAOYSA-N 1 1 424.929 2.581 20 0 HFADMO COCCOc1cc(C)ccc1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792066723 1077673822 /nfs/dbraw/zinc/67/38/22/1077673822.db2.gz QXDNYPDHFLOZGP-UHFFFAOYSA-N 1 1 421.538 2.902 20 0 HFADMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH2+]C[C@H]1CC(C(N)=O)=NO1 ZINC000789561782 1077681542 /nfs/dbraw/zinc/68/15/42/1077681542.db2.gz UMBYBHARMXOZGI-GOSISDBHSA-N 1 1 423.448 2.832 20 0 HFADMO CCNC(=O)c1ccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000792074559 1077681650 /nfs/dbraw/zinc/68/16/50/1077681650.db2.gz JFIRUFAZRBOZIL-UHFFFAOYSA-N 1 1 418.538 2.626 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCc2ccccc2N2CCCC2)CC1 ZINC000792075957 1077683219 /nfs/dbraw/zinc/68/32/19/1077683219.db2.gz MZESBDRQIDNLHU-UHFFFAOYSA-N 1 1 416.566 2.846 20 0 HFADMO CN(C[C@H]1OCCc2ccccc21)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792116080 1077703164 /nfs/dbraw/zinc/70/31/64/1077703164.db2.gz DMCVEEDHWAUMRB-HXUWFJFHSA-N 1 1 417.550 2.702 20 0 HFADMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)CC2(NC(=O)OC(C)(C)C)CCC2)C[C@H](C)O1 ZINC000746835601 1077705342 /nfs/dbraw/zinc/70/53/42/1077705342.db2.gz BSYRZWCEVWNUJP-KSZLIROESA-N 1 1 409.571 2.924 20 0 HFADMO COc1cccc(C2=NO[C@H](C(=O)NCc3cccc(C[N@@H+]4CCO[C@@H](C)C4)c3)C2)c1 ZINC000792087140 1077710075 /nfs/dbraw/zinc/71/00/75/1077710075.db2.gz YKOFIMJXAJWNMG-SBUREZEXSA-N 1 1 423.513 2.725 20 0 HFADMO COc1cccc(C2=NO[C@H](C(=O)NCc3cccc(C[N@H+]4CCO[C@@H](C)C4)c3)C2)c1 ZINC000792087140 1077710084 /nfs/dbraw/zinc/71/00/84/1077710084.db2.gz YKOFIMJXAJWNMG-SBUREZEXSA-N 1 1 423.513 2.725 20 0 HFADMO COc1cccc(C2=NO[C@@H](C(=O)NCc3cccc(C[N@@H+]4CCO[C@H](C)C4)c3)C2)c1 ZINC000792087146 1077710226 /nfs/dbraw/zinc/71/02/26/1077710226.db2.gz YKOFIMJXAJWNMG-UZUQRXQVSA-N 1 1 423.513 2.725 20 0 HFADMO COc1cccc(C2=NO[C@@H](C(=O)NCc3cccc(C[N@H+]4CCO[C@H](C)C4)c3)C2)c1 ZINC000792087146 1077710234 /nfs/dbraw/zinc/71/02/34/1077710234.db2.gz YKOFIMJXAJWNMG-UZUQRXQVSA-N 1 1 423.513 2.725 20 0 HFADMO Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000746843480 1077718651 /nfs/dbraw/zinc/71/86/51/1077718651.db2.gz FXDIGCRTWQSEAU-DEDYPNTBSA-N 1 1 400.502 2.698 20 0 HFADMO COc1ccccc1C(C)(C)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792135514 1077718702 /nfs/dbraw/zinc/71/87/02/1077718702.db2.gz ASLJUCXYORJQRV-UHFFFAOYSA-N 1 1 405.539 2.989 20 0 HFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000792138389 1077719738 /nfs/dbraw/zinc/71/97/38/1077719738.db2.gz QGUIGPPMFHBYPB-KURKYZTESA-N 1 1 412.575 2.575 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NC[C@@H]2CCOc3ccccc32)CC1 ZINC000792155925 1077725028 /nfs/dbraw/zinc/72/50/28/1077725028.db2.gz BBYQTQGIVXODST-KRWDZBQOSA-N 1 1 403.523 2.612 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2C[C@H]3CCCN3c3ccccc32)CC1 ZINC000792157068 1077725655 /nfs/dbraw/zinc/72/56/55/1077725655.db2.gz MWQIPFUUCDNQLG-GOSISDBHSA-N 1 1 414.550 2.945 20 0 HFADMO CC(C)N(C)c1ccc(C[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)cn1 ZINC000792173474 1077734245 /nfs/dbraw/zinc/73/42/45/1077734245.db2.gz YIZOGUWJXBBCFA-UHFFFAOYSA-N 1 1 417.579 2.620 20 0 HFADMO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792176277 1077735174 /nfs/dbraw/zinc/73/51/74/1077735174.db2.gz PBBHEZPJCWPQKB-QRQLOZEOSA-N 1 1 402.539 2.673 20 0 HFADMO COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000792177664 1077735666 /nfs/dbraw/zinc/73/56/66/1077735666.db2.gz FYORQHOVKXGHTI-WLRLJWMZSA-N 1 1 414.550 2.627 20 0 HFADMO COC(=O)N1CCC([C@H](C)NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000792180901 1077736663 /nfs/dbraw/zinc/73/66/63/1077736663.db2.gz WATDXQMYVCEZSW-DZFGPLHGSA-N 1 1 414.550 2.627 20 0 HFADMO C[C@H](CNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000792195575 1077740923 /nfs/dbraw/zinc/74/09/23/1077740923.db2.gz VRVUSQPQAOZJTH-AEFFLSMTSA-N 1 1 422.595 2.816 20 0 HFADMO C[C@H](CNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000792195575 1077740930 /nfs/dbraw/zinc/74/09/30/1077740930.db2.gz VRVUSQPQAOZJTH-AEFFLSMTSA-N 1 1 422.595 2.816 20 0 HFADMO Cc1ccnc(C[N@H+]2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000792207618 1077746230 /nfs/dbraw/zinc/74/62/30/1077746230.db2.gz DDSOGDYIYMKLIR-GOSISDBHSA-N 1 1 402.539 2.681 20 0 HFADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000746850002 1077747478 /nfs/dbraw/zinc/74/74/78/1077747478.db2.gz YKWKTCLVHOGCOC-NHTFAYPBSA-N 1 1 405.564 2.935 20 0 HFADMO COc1cccc2c1CC[C@@H]2NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792225432 1077750888 /nfs/dbraw/zinc/75/08/88/1077750888.db2.gz ITIYRVDNBVGAET-SFHVURJKSA-N 1 1 403.523 2.742 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCO[C@](C)(c3ccccc3)C2)CC1 ZINC000792227173 1077752647 /nfs/dbraw/zinc/75/26/47/1077752647.db2.gz XITDQYHQIRWIFB-QHCPKHFHSA-N 1 1 417.550 2.703 20 0 HFADMO CN(C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000792230646 1077753975 /nfs/dbraw/zinc/75/39/75/1077753975.db2.gz NQKGUPJIQGEXDR-XZOQPEGZSA-N 1 1 420.557 2.951 20 0 HFADMO C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792236385 1077758170 /nfs/dbraw/zinc/75/81/70/1077758170.db2.gz KMXILDGHQSFMLS-QFBILLFUSA-N 1 1 423.529 2.697 20 0 HFADMO O=C(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)c1nc(Br)ccc1F ZINC000792238256 1077759690 /nfs/dbraw/zinc/75/96/90/1077759690.db2.gz MVOYDFORYWMTRO-HOCLYGCPSA-N 1 1 422.298 2.596 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N[C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000792239540 1077760038 /nfs/dbraw/zinc/76/00/38/1077760038.db2.gz IFJXZKDDJLIEFZ-SFHVURJKSA-N 1 1 409.571 2.927 20 0 HFADMO Cc1cccc(CC2CN(C(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000792213040 1077767830 /nfs/dbraw/zinc/76/78/30/1077767830.db2.gz SXBNIKREJRYDQI-UHFFFAOYSA-N 1 1 401.551 2.939 20 0 HFADMO COc1ccc(CN2CCC[N@@H+](CCC(=O)Nc3ccc(N(C)C)cc3)CC2=O)cc1 ZINC000792291552 1077777519 /nfs/dbraw/zinc/77/75/19/1077777519.db2.gz PVWWULQXUPHOGP-UHFFFAOYSA-N 1 1 424.545 2.824 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)C2)c1 ZINC000792256123 1077782648 /nfs/dbraw/zinc/78/26/48/1077782648.db2.gz QUDLRVLZQYBYSH-GNSUPJDDSA-N 1 1 413.518 2.672 20 0 HFADMO CCCCn1cc(CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c(C)n1 ZINC000792301601 1077796328 /nfs/dbraw/zinc/79/63/28/1077796328.db2.gz YJMDPEPWEOOJFE-UHFFFAOYSA-N 1 1 407.559 2.551 20 0 HFADMO Cn1nc(C(C)(C)C)cc1C(=O)OCC[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000789792312 1077797939 /nfs/dbraw/zinc/79/79/39/1077797939.db2.gz PPZVONFEMSZJMY-UHFFFAOYSA-N 1 1 408.543 2.817 20 0 HFADMO Cn1nc(C(C)(C)C)cc1C(=O)OCC[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000789792312 1077797942 /nfs/dbraw/zinc/79/79/42/1077797942.db2.gz PPZVONFEMSZJMY-UHFFFAOYSA-N 1 1 408.543 2.817 20 0 HFADMO COc1cccc(C(=O)OCC[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1OC ZINC000789792511 1077798004 /nfs/dbraw/zinc/79/80/04/1077798004.db2.gz SLXSWCBBIKKUKX-UHFFFAOYSA-N 1 1 408.495 2.803 20 0 HFADMO COc1cccc(C(=O)OCC[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1OC ZINC000789792511 1077798009 /nfs/dbraw/zinc/79/80/09/1077798009.db2.gz SLXSWCBBIKKUKX-UHFFFAOYSA-N 1 1 408.495 2.803 20 0 HFADMO Cc1ccc(N2CCN(C(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000792316072 1077803815 /nfs/dbraw/zinc/80/38/15/1077803815.db2.gz MURWERYSPRSIAC-UHFFFAOYSA-N 1 1 416.566 2.586 20 0 HFADMO CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000792366050 1077817203 /nfs/dbraw/zinc/81/72/03/1077817203.db2.gz BPYBHGGDLHTNOV-LJQANCHMSA-N 1 1 408.502 2.530 20 0 HFADMO COC(=O)c1ccc(CNC(=O)[C@H](C)[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc1 ZINC000792386860 1077829795 /nfs/dbraw/zinc/82/97/95/1077829795.db2.gz WBKJFBKNUGZFKZ-HNNXBMFYSA-N 1 1 415.465 2.555 20 0 HFADMO C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000792387956 1077830386 /nfs/dbraw/zinc/83/03/86/1077830386.db2.gz OTFKICKMTRFKLQ-WMLDXEAASA-N 1 1 412.456 2.566 20 0 HFADMO Cc1cccc(OCCNC(=O)[C@H](C)[NH+]2CCC(Oc3ccc(F)nc3)CC2)c1 ZINC000792390619 1077831660 /nfs/dbraw/zinc/83/16/60/1077831660.db2.gz RNWNCUPWNJEFNG-KRWDZBQOSA-N 1 1 401.482 2.956 20 0 HFADMO Cc1cccc(OCCNC(=O)[C@@H](C)[NH+]2CCC(Oc3ccc(F)nc3)CC2)c1 ZINC000792390621 1077831984 /nfs/dbraw/zinc/83/19/84/1077831984.db2.gz RNWNCUPWNJEFNG-QGZVFWFLSA-N 1 1 401.482 2.956 20 0 HFADMO C[C@H](OC(=O)c1nc2cccnc2s1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792382077 1077845880 /nfs/dbraw/zinc/84/58/80/1077845880.db2.gz QLIPLTGPYICHJM-HOCLYGCPSA-N 1 1 410.499 2.627 20 0 HFADMO Nn1c(SC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)nnc1[C@H]1CCCCO1 ZINC000789921551 1077848230 /nfs/dbraw/zinc/84/82/30/1077848230.db2.gz LNKRAWOAISVJDU-QZTJIDSGSA-N 1 1 403.552 2.617 20 0 HFADMO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1nc(Br)cs1 ZINC000792424248 1077850842 /nfs/dbraw/zinc/85/08/42/1077850842.db2.gz MXJCDHWSNXVQQC-KGLIPLIRSA-N 1 1 410.337 2.518 20 0 HFADMO CCc1cc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)nc(-c2ccccn2)n1 ZINC001170166565 1077851408 /nfs/dbraw/zinc/85/14/08/1077851408.db2.gz PKELJOALAMIHAW-UHFFFAOYSA-N 1 1 403.490 2.969 20 0 HFADMO COc1cc2nc(C)c(N(C(N)=[NH2+])c3ccc(N4CCOCC4)cc3)nc2cc1OC ZINC001170166297 1077857786 /nfs/dbraw/zinc/85/77/86/1077857786.db2.gz MBIPYUSCZBZIRD-UHFFFAOYSA-N 1 1 422.489 2.824 20 0 HFADMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1nc(Br)cs1 ZINC000792465156 1077859240 /nfs/dbraw/zinc/85/92/40/1077859240.db2.gz KKWPEMNAQQNHHD-QGZVFWFLSA-N 1 1 410.337 2.615 20 0 HFADMO CCOC(=O)C1=C(C[N@@H+](CCOC)[C@@H]2CC[C@H](C)C2)NC(=O)N[C@H]1c1ccco1 ZINC000792466632 1077859991 /nfs/dbraw/zinc/85/99/91/1077859991.db2.gz ZYCGSJDCPMRDDQ-KHYOSLBOSA-N 1 1 405.495 2.588 20 0 HFADMO CCOC(=O)C1=C(C[N@@H+](CCOC)[C@@H]2CC[C@H](C)C2)NC(=O)N[C@@H]1c1ccco1 ZINC000792466634 1077860090 /nfs/dbraw/zinc/86/00/90/1077860090.db2.gz ZYCGSJDCPMRDDQ-QMTMVMCOSA-N 1 1 405.495 2.588 20 0 HFADMO CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000792497192 1077867263 /nfs/dbraw/zinc/86/72/63/1077867263.db2.gz ZRRGGCDSPUJIDG-UXHICEINSA-N 1 1 417.550 2.651 20 0 HFADMO CN(C(=O)c1ccc(NC(=O)c2ccn(CC(F)F)n2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000789961986 1077871815 /nfs/dbraw/zinc/87/18/15/1077871815.db2.gz QXKISEGEJBHHCB-MRXNPFEDSA-N 1 1 405.449 2.567 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NC[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000792481019 1077876323 /nfs/dbraw/zinc/87/63/23/1077876323.db2.gz BACGMXWGRDOYNF-SFHVURJKSA-N 1 1 409.571 2.927 20 0 HFADMO CCO[C@H](CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000792484014 1077877510 /nfs/dbraw/zinc/87/75/10/1077877510.db2.gz HYQYHJSPPWBCRY-LJQANCHMSA-N 1 1 405.539 2.823 20 0 HFADMO CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000789994037 1077894493 /nfs/dbraw/zinc/89/44/93/1077894493.db2.gz VAVZSNAXKMUWND-KRWDZBQOSA-N 1 1 415.456 2.827 20 0 HFADMO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000772797989 1077900788 /nfs/dbraw/zinc/90/07/88/1077900788.db2.gz KVCXCCZSZNBHEB-SIKLNZKXSA-N 1 1 400.567 2.801 20 0 HFADMO CC[C@H]1C[C@H]([N@H+]2CC[C@@H]3CN(CCc4ccccc4)S(=O)(=O)[C@@H]3CC2)CCO1 ZINC001170214088 1077908720 /nfs/dbraw/zinc/90/87/20/1077908720.db2.gz MMWMWGFSSKMUCO-YUMYIRISSA-N 1 1 406.592 2.913 20 0 HFADMO CC(C)Oc1cccc(CNC(=O)C[N@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)c1 ZINC001170216144 1077909218 /nfs/dbraw/zinc/90/92/18/1077909218.db2.gz JVJSFOQCWVEGNX-XMMPIXPASA-N 1 1 412.530 2.744 20 0 HFADMO CC(C)Oc1cccc(CNC(=O)C[N@@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)c1 ZINC001170216144 1077909221 /nfs/dbraw/zinc/90/92/21/1077909221.db2.gz JVJSFOQCWVEGNX-XMMPIXPASA-N 1 1 412.530 2.744 20 0 HFADMO CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001626112241 1077917768 /nfs/dbraw/zinc/91/77/68/1077917768.db2.gz ZRRORUWMMGWWNH-FQEVSTJZSA-N 1 1 400.567 2.799 20 0 HFADMO Cc1c[nH+]ccc1OC1CCN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)CC1 ZINC000772805100 1077918031 /nfs/dbraw/zinc/91/80/31/1077918031.db2.gz DGYJBEWPLIJGQD-UHFFFAOYSA-N 1 1 415.877 2.839 20 0 HFADMO O=C(N[C@@H]1CCO[C@H]1C1CC[NH+](C[C@@H](O)c2c(F)cccc2F)CC1)C(F)(F)F ZINC001170274143 1077925881 /nfs/dbraw/zinc/92/58/81/1077925881.db2.gz UJBDENMELCBICL-INMHGKMJSA-N 1 1 422.394 2.546 20 0 HFADMO C[C@@H](Cc1ccccc1Cl)[N@H+]1C[C@@H](C(=O)N2CCOCC2)C2(C1)CCOCC2 ZINC001170275616 1077926470 /nfs/dbraw/zinc/92/64/70/1077926470.db2.gz HXQUEMBEQDKGBF-HKUYNNGSSA-N 1 1 406.954 2.858 20 0 HFADMO C[C@@H](C(=O)N(CCCNC(=O)OC(C)(C)C)Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000792601699 1077930826 /nfs/dbraw/zinc/93/08/26/1077930826.db2.gz OBYLCHSYQYFIOU-IBGZPJMESA-N 1 1 418.582 2.566 20 0 HFADMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)[C@@H](C)C1 ZINC000790051343 1077931129 /nfs/dbraw/zinc/93/11/29/1077931129.db2.gz FKLAQVUWZMYPMN-SIKLNZKXSA-N 1 1 414.594 2.524 20 0 HFADMO CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)CC1 ZINC000790054521 1077933134 /nfs/dbraw/zinc/93/31/34/1077933134.db2.gz SMITXEIPNZNUNS-UHFFFAOYSA-N 1 1 414.594 2.668 20 0 HFADMO COC(=O)Nc1ccc(CNC(=O)CN2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)cc1 ZINC001170333821 1077946099 /nfs/dbraw/zinc/94/60/99/1077946099.db2.gz SLZJRLYCSHFJES-LJQANCHMSA-N 1 1 424.545 2.935 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCC[N@@H+](CC(=O)NC(=O)NC3CCCC3)C2)C1 ZINC001170334226 1077946384 /nfs/dbraw/zinc/94/63/84/1077946384.db2.gz YANLIXKOSHARAZ-SJORKVTESA-N 1 1 422.570 2.724 20 0 HFADMO COc1ccc2c(C)c(CCC(=O)N(C)CC[N@@H+]3CCOC(C)(C)C3)c(=O)oc2c1 ZINC000790128564 1077951180 /nfs/dbraw/zinc/95/11/80/1077951180.db2.gz QFNKDDMAQGYBLX-UHFFFAOYSA-N 1 1 416.518 2.612 20 0 HFADMO COc1ccc2c(C)c(CCC(=O)N(C)CC[N@H+]3CCOC(C)(C)C3)c(=O)oc2c1 ZINC000790128564 1077951183 /nfs/dbraw/zinc/95/11/83/1077951183.db2.gz QFNKDDMAQGYBLX-UHFFFAOYSA-N 1 1 416.518 2.612 20 0 HFADMO O=C(C[N@H+]1CCCc2ccccc2CC1)NCc1ccccc1CN1CCCC1=O ZINC001170342285 1077953678 /nfs/dbraw/zinc/95/36/78/1077953678.db2.gz LZIHEMYPGVCELU-UHFFFAOYSA-N 1 1 405.542 2.916 20 0 HFADMO CCC(CC)[C@H](CNC(=O)N1CCC(Oc2ccc(F)nc2)CC1)[NH+]1CCOCC1 ZINC000790138722 1077954302 /nfs/dbraw/zinc/95/43/02/1077954302.db2.gz FNWHNBMYHKYLGU-FQEVSTJZSA-N 1 1 422.545 2.911 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000790127317 1077960002 /nfs/dbraw/zinc/96/00/02/1077960002.db2.gz LNDKFYJDBZHWNG-UHFFFAOYSA-N 1 1 409.530 2.653 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000790127317 1077960005 /nfs/dbraw/zinc/96/00/05/1077960005.db2.gz LNDKFYJDBZHWNG-UHFFFAOYSA-N 1 1 409.530 2.653 20 0 HFADMO CCOc1cc2c(cc1/C=C\C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)O[C@@H](C)C2 ZINC000790125996 1077960051 /nfs/dbraw/zinc/96/00/51/1077960051.db2.gz IGXWHKYJBRXGEU-FGEOIHJMSA-N 1 1 402.535 2.990 20 0 HFADMO CCOc1cc2c(cc1/C=C\C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)O[C@@H](C)C2 ZINC000790125996 1077960052 /nfs/dbraw/zinc/96/00/52/1077960052.db2.gz IGXWHKYJBRXGEU-FGEOIHJMSA-N 1 1 402.535 2.990 20 0 HFADMO Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)[C@H]2CCC(=O)c3ccccc32)CC1 ZINC000792658782 1077960975 /nfs/dbraw/zinc/96/09/75/1077960975.db2.gz CNHZFSWVVZORLZ-QFIPXVFZSA-N 1 1 420.509 2.943 20 0 HFADMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000790170338 1077964533 /nfs/dbraw/zinc/96/45/33/1077964533.db2.gz RZEUCTARCRVCLO-LPHOPBHVSA-N 1 1 402.491 2.986 20 0 HFADMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000790170338 1077964534 /nfs/dbraw/zinc/96/45/34/1077964534.db2.gz RZEUCTARCRVCLO-LPHOPBHVSA-N 1 1 402.491 2.986 20 0 HFADMO Cc1ccc(-c2cc(NC(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)[nH]n2)o1 ZINC000792668545 1077968770 /nfs/dbraw/zinc/96/87/70/1077968770.db2.gz LQUOXTIUQOUXEG-UHFFFAOYSA-N 1 1 403.483 2.859 20 0 HFADMO C[C@@H]1CSCC[N@H+](CN2C(=O)N[C@@](C)(c3ccc(OC(F)(F)F)cc3)C2=O)C1 ZINC000792725963 1077978757 /nfs/dbraw/zinc/97/87/57/1077978757.db2.gz MYHPDBORFYKIQM-SJCJKPOMSA-N 1 1 417.453 2.995 20 0 HFADMO C[C@@H]1CSCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(OC(F)(F)F)cc3)C2=O)C1 ZINC000792725963 1077978759 /nfs/dbraw/zinc/97/87/59/1077978759.db2.gz MYHPDBORFYKIQM-SJCJKPOMSA-N 1 1 417.453 2.995 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H](CO)Cc2ccc(F)c(F)c2)cn1 ZINC000790234571 1077982236 /nfs/dbraw/zinc/98/22/36/1077982236.db2.gz JCXIQGFZKBCEJI-QGZVFWFLSA-N 1 1 415.444 2.504 20 0 HFADMO O=C1O[C@@]2(CN1CNC1(c3ccc(Cl)cc3)CCOCC1)C[NH+]1CCC2CC1 ZINC000790362077 1078004422 /nfs/dbraw/zinc/00/44/22/1078004422.db2.gz JINOAFRMJAABQJ-OAQYLSRUSA-N 1 1 405.926 2.809 20 0 HFADMO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CCC[C@@H]2CC(C)(C)C)C1=O ZINC000747087327 1078005324 /nfs/dbraw/zinc/00/53/24/1078005324.db2.gz RNMOZUJUSQKKRE-VGOFRKELSA-N 1 1 400.523 2.776 20 0 HFADMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1nc(Br)ccc1Br ZINC000790382270 1078010033 /nfs/dbraw/zinc/01/00/33/1078010033.db2.gz RNVQMALKRIHGSF-SECBINFHSA-N 1 1 403.118 2.821 20 0 HFADMO C[C@]1(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCN(C(=O)OCc2ccccc2)C1 ZINC000792873569 1078014969 /nfs/dbraw/zinc/01/49/69/1078014969.db2.gz SZSCMLAVEZVXSD-IPJJNNNSSA-N 1 1 400.523 2.714 20 0 HFADMO C[C@]1(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCN(C(=O)OCc2ccccc2)C1 ZINC000792873575 1078014994 /nfs/dbraw/zinc/01/49/94/1078014994.db2.gz SZSCMLAVEZVXSD-KNKQGSTJSA-N 1 1 400.523 2.714 20 0 HFADMO CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000792880772 1078016546 /nfs/dbraw/zinc/01/65/46/1078016546.db2.gz VAXSYZZMXJHAKA-RTWAWAEBSA-N 1 1 419.566 2.503 20 0 HFADMO C[C@@]12CC[N@H+](CC(=O)N3CCN(c4ccccc4F)CC3)C[C@@H]1C2(Cl)Cl ZINC000792908547 1078020772 /nfs/dbraw/zinc/02/07/72/1078020772.db2.gz RIMGHQLNDUYHJU-FUHWJXTLSA-N 1 1 400.325 2.990 20 0 HFADMO C[C@@]12CC[N@@H+](CC(=O)N3CCN(c4ccccc4F)CC3)C[C@@H]1C2(Cl)Cl ZINC000792908547 1078020778 /nfs/dbraw/zinc/02/07/78/1078020778.db2.gz RIMGHQLNDUYHJU-FUHWJXTLSA-N 1 1 400.325 2.990 20 0 HFADMO C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3c4nc(N5CCC[C@@H](C)C5)ncc4CS(=O)(=O)[C@@H]3C2)C1 ZINC001170135115 1078021849 /nfs/dbraw/zinc/02/18/49/1078021849.db2.gz GLGGZWOAVLKXDT-VKSUQKOCSA-N 1 1 404.580 2.598 20 0 HFADMO CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1 ZINC000792913210 1078024170 /nfs/dbraw/zinc/02/41/70/1078024170.db2.gz MIRVOMKOVPFHBJ-JKSUJKDBSA-N 1 1 407.363 2.831 20 0 HFADMO C[C@H](NC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2)[C@@H]1C[N@H+](C)CCO1 ZINC000790428105 1078024245 /nfs/dbraw/zinc/02/42/45/1078024245.db2.gz CJMIYLSIZZXGQU-ROUUACIJSA-N 1 1 424.586 2.528 20 0 HFADMO C[C@H](NC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2)[C@@H]1C[N@@H+](C)CCO1 ZINC000790428105 1078024252 /nfs/dbraw/zinc/02/42/52/1078024252.db2.gz CJMIYLSIZZXGQU-ROUUACIJSA-N 1 1 424.586 2.528 20 0 HFADMO C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000747092948 1078027138 /nfs/dbraw/zinc/02/71/38/1078027138.db2.gz GTAABBDFQGUIRX-QRVBRYPASA-N 1 1 411.587 2.935 20 0 HFADMO CCNC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000792929195 1078027632 /nfs/dbraw/zinc/02/76/32/1078027632.db2.gz XIUIHPKMMMUOGD-GOSISDBHSA-N 1 1 414.550 2.678 20 0 HFADMO CCNC(=O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000792929195 1078027636 /nfs/dbraw/zinc/02/76/36/1078027636.db2.gz XIUIHPKMMMUOGD-GOSISDBHSA-N 1 1 414.550 2.678 20 0 HFADMO CC(C)(C)OC(=O)NCC[N@@H+](CCc1ccccc1)Cc1cc(=O)n2nccc2[nH]1 ZINC000792930836 1078028133 /nfs/dbraw/zinc/02/81/33/1078028133.db2.gz KXZAFTNQINQDQA-UHFFFAOYSA-N 1 1 411.506 2.592 20 0 HFADMO CCOC(=O)C1=C(C[NH+]2CCC3(CCOCC3)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000792933267 1078028533 /nfs/dbraw/zinc/02/85/33/1078028533.db2.gz JUDKSFMDIKOAKO-FQEVSTJZSA-N 1 1 413.518 2.750 20 0 HFADMO Fc1ccc(I)c(F)c1CNC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000792967716 1078037774 /nfs/dbraw/zinc/03/77/74/1078037774.db2.gz AOQCFDVOGURYKU-QWRGUYRKSA-N 1 1 408.230 2.522 20 0 HFADMO O=C(OCc1ccccc1)N1CCC([NH2+]C2CCN(C[C@H]3CCOC3)CC2)CC1 ZINC000790472462 1078039501 /nfs/dbraw/zinc/03/95/01/1078039501.db2.gz HDTLNEWANMPSRD-HXUWFJFHSA-N 1 1 401.551 2.878 20 0 HFADMO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000792988555 1078041627 /nfs/dbraw/zinc/04/16/27/1078041627.db2.gz FCIDNFLJCSEHFM-YZGWKJHDSA-N 1 1 414.550 2.960 20 0 HFADMO C[C@H](CNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000792990241 1078042314 /nfs/dbraw/zinc/04/23/14/1078042314.db2.gz SINGTOFAVZOKLW-MJGOQNOKSA-N 1 1 402.539 2.817 20 0 HFADMO CCNC(=O)OC[C@H]1CCCCN1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000806224274 1079508145 /nfs/dbraw/zinc/50/81/45/1079508145.db2.gz CCJMQXPZUJATNV-HXUWFJFHSA-N 1 1 418.538 2.694 20 0 HFADMO CCc1ccc([C@H](O)CNC(=O)Nc2ccc(C(=O)N3CC[NH+](CC)CC3)cc2)cc1 ZINC000806238393 1079515407 /nfs/dbraw/zinc/51/54/07/1079515407.db2.gz BVHAWPKXUYIMTD-JOCHJYFZSA-N 1 1 424.545 2.882 20 0 HFADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCc1ccc(Br)cc1F ZINC000806254294 1079523857 /nfs/dbraw/zinc/52/38/57/1079523857.db2.gz UGPWKBULNMZLQJ-OAHLLOKOSA-N 1 1 414.319 2.585 20 0 HFADMO CNC(=O)OC[C@@H]1CCCCN1C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000806265554 1079529756 /nfs/dbraw/zinc/52/97/56/1079529756.db2.gz OFVHBRSDVNDREX-LPHOPBHVSA-N 1 1 404.511 2.822 20 0 HFADMO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C3CCC3)C1)CCC2 ZINC000806298762 1079549618 /nfs/dbraw/zinc/54/96/18/1079549618.db2.gz OIJGHWCGGDQQID-ZWOKBUDYSA-N 1 1 415.582 2.727 20 0 HFADMO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000806301772 1079554169 /nfs/dbraw/zinc/55/41/69/1079554169.db2.gz WLPUFMZQYKPKBU-JRGCBEDISA-N 1 1 423.561 2.737 20 0 HFADMO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc[nH]1 ZINC000806310690 1079564781 /nfs/dbraw/zinc/56/47/81/1079564781.db2.gz BOBJVUALOQXSNV-BBRMVZONSA-N 1 1 408.424 2.601 20 0 HFADMO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc[nH]1 ZINC000806310690 1079564785 /nfs/dbraw/zinc/56/47/85/1079564785.db2.gz BOBJVUALOQXSNV-BBRMVZONSA-N 1 1 408.424 2.601 20 0 HFADMO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000806355195 1079588083 /nfs/dbraw/zinc/58/80/83/1079588083.db2.gz PPKLURSLLVHMOG-KSZLIROESA-N 1 1 412.575 2.575 20 0 HFADMO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000806355195 1079588085 /nfs/dbraw/zinc/58/80/85/1079588085.db2.gz PPKLURSLLVHMOG-KSZLIROESA-N 1 1 412.575 2.575 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000806354692 1079589346 /nfs/dbraw/zinc/58/93/46/1079589346.db2.gz HNPPIUBELQNORW-KSZLIROESA-N 1 1 412.575 2.527 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000806354692 1079589353 /nfs/dbraw/zinc/58/93/53/1079589353.db2.gz HNPPIUBELQNORW-KSZLIROESA-N 1 1 412.575 2.527 20 0 HFADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)C1 ZINC000806321838 1079592878 /nfs/dbraw/zinc/59/28/78/1079592878.db2.gz AVIHDTQBZUIZMW-WOJBJXKFSA-N 1 1 424.586 2.576 20 0 HFADMO Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)c12 ZINC000747325400 1079601236 /nfs/dbraw/zinc/60/12/36/1079601236.db2.gz IRELCGOMKNDRIR-ZWKOTPCHSA-N 1 1 405.502 2.537 20 0 HFADMO C[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001130613978 1079641638 /nfs/dbraw/zinc/64/16/38/1079641638.db2.gz NZMUACPKKBASQB-VGSWGCGISA-N 1 1 400.544 2.974 20 0 HFADMO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000806423766 1079668454 /nfs/dbraw/zinc/66/84/54/1079668454.db2.gz DHXWUXXXTLWRCJ-PKTZIBPZSA-N 1 1 423.557 2.658 20 0 HFADMO COCC1(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000806427682 1079673132 /nfs/dbraw/zinc/67/31/32/1079673132.db2.gz NDQJJVSGITZJGL-QZTJIDSGSA-N 1 1 424.586 2.576 20 0 HFADMO C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000806429230 1079674056 /nfs/dbraw/zinc/67/40/56/1079674056.db2.gz RNAPLFZNZYZCET-WSTZPKSXSA-N 1 1 406.571 2.903 20 0 HFADMO C[N@@H+]1CCN(C(=O)NCc2cccc(N3CCOC3=O)c2)C[C@@H]1Cc1ccccc1 ZINC000806504850 1079755134 /nfs/dbraw/zinc/75/51/34/1079755134.db2.gz DOMYBBMSEDXWRK-NRFANRHFSA-N 1 1 408.502 2.712 20 0 HFADMO C[N@H+]1CCN(C(=O)NCc2cccc(N3CCOC3=O)c2)C[C@@H]1Cc1ccccc1 ZINC000806504850 1079755145 /nfs/dbraw/zinc/75/51/45/1079755145.db2.gz DOMYBBMSEDXWRK-NRFANRHFSA-N 1 1 408.502 2.712 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCc1nnc(CCc2ccccc2)o1 ZINC000806505908 1079756917 /nfs/dbraw/zinc/75/69/17/1079756917.db2.gz CDRIACMTNNIZBM-UHFFFAOYSA-N 1 1 417.473 2.743 20 0 HFADMO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000806509417 1079758781 /nfs/dbraw/zinc/75/87/81/1079758781.db2.gz PCYVNIHKCMSLRA-KRWDZBQOSA-N 1 1 408.568 2.807 20 0 HFADMO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000806509417 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INNACQQYFUUEQX-SJORKVTESA-N 1 1 406.889 2.625 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000806738411 1079930169 /nfs/dbraw/zinc/93/01/69/1079930169.db2.gz CZDCRETXIUQSBA-VBQJREDUSA-N 1 1 402.322 2.579 20 0 HFADMO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000806727004 1079951406 /nfs/dbraw/zinc/95/14/06/1079951406.db2.gz LBYWZLADWHNMDB-SFTDATJTSA-N 1 1 416.566 2.861 20 0 HFADMO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000806778805 1080004498 /nfs/dbraw/zinc/00/44/98/1080004498.db2.gz AAVXJJHXGZHGBI-PMACEKPBSA-N 1 1 424.586 2.720 20 0 HFADMO C[C@@H](NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1)[C@H]1C[N@H+](C)CCO1 ZINC000806802806 1080019850 /nfs/dbraw/zinc/01/98/50/1080019850.db2.gz XVXCXDXRLQAZMV-PSASIEDQSA-N 1 1 411.222 2.704 20 0 HFADMO C[C@@H](NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1)[C@H]1C[N@@H+](C)CCO1 ZINC000806802806 1080019858 /nfs/dbraw/zinc/01/98/58/1080019858.db2.gz XVXCXDXRLQAZMV-PSASIEDQSA-N 1 1 411.222 2.704 20 0 HFADMO CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC001130750995 1080020237 /nfs/dbraw/zinc/02/02/37/1080020237.db2.gz ANLIWRORRRURML-LADGPHEKSA-N 1 1 405.542 2.908 20 0 HFADMO CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC001130750995 1080020247 /nfs/dbraw/zinc/02/02/47/1080020247.db2.gz ANLIWRORRRURML-LADGPHEKSA-N 1 1 405.542 2.908 20 0 HFADMO C[N@@H+]1CCN(C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)[C@@H](Cc2ccccc2)C1 ZINC001130751068 1080020308 /nfs/dbraw/zinc/02/03/08/1080020308.db2.gz CKXXTEIHWMARFS-NRFANRHFSA-N 1 1 404.514 2.550 20 0 HFADMO C[N@H+]1CCN(C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)[C@@H](Cc2ccccc2)C1 ZINC001130751068 1080020318 /nfs/dbraw/zinc/02/03/18/1080020318.db2.gz CKXXTEIHWMARFS-NRFANRHFSA-N 1 1 404.514 2.550 20 0 HFADMO C[N@@H+]1CCN(C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)[C@H](Cc2ccccc2)C1 ZINC001130751464 1080020956 /nfs/dbraw/zinc/02/09/56/1080020956.db2.gz JLFYYXVSCFSMGF-JOCHJYFZSA-N 1 1 418.541 2.789 20 0 HFADMO C[N@H+]1CCN(C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)[C@H](Cc2ccccc2)C1 ZINC001130751464 1080020964 /nfs/dbraw/zinc/02/09/64/1080020964.db2.gz JLFYYXVSCFSMGF-JOCHJYFZSA-N 1 1 418.541 2.789 20 0 HFADMO C[C@H](CNC(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000806865121 1080066721 /nfs/dbraw/zinc/06/67/21/1080066721.db2.gz PRGUFJSAOCQJCE-QPPBQGQZSA-N 1 1 424.589 2.815 20 0 HFADMO COc1cccc(C[NH+]2CCC(NC(=O)CSc3n[nH]c(=S)s3)CC2)c1 ZINC000747364054 1080114426 /nfs/dbraw/zinc/11/44/26/1080114426.db2.gz LTXFMMKPAAWFOT-UHFFFAOYSA-N 1 1 410.590 2.708 20 0 HFADMO C[C@H](NC(=O)C(=O)Nc1cccc(C(C)(C)O)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000806964927 1080131602 /nfs/dbraw/zinc/13/16/02/1080131602.db2.gz HNGGZFMHVSEXHV-HKUYNNGSSA-N 1 1 409.530 2.879 20 0 HFADMO Cc1ccc(CC(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)c(Cl)n1 ZINC000806963985 1080133140 /nfs/dbraw/zinc/13/31/40/1080133140.db2.gz UJFUEDXWIJKSSD-UHFFFAOYSA-N 1 1 402.926 2.851 20 0 HFADMO CO[C@@](C)(CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)COCc1ccccc1 ZINC001130802055 1080190306 /nfs/dbraw/zinc/19/03/06/1080190306.db2.gz ZVPVQXIAERGYOA-UPVQGACJSA-N 1 1 412.530 2.626 20 0 HFADMO CO[C@@](C)(CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)COCc1ccccc1 ZINC001130802055 1080190311 /nfs/dbraw/zinc/19/03/11/1080190311.db2.gz ZVPVQXIAERGYOA-UPVQGACJSA-N 1 1 412.530 2.626 20 0 HFADMO C[C@H]1[C@@H](NC(=O)NCC2CN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000807038475 1080229059 /nfs/dbraw/zinc/22/90/59/1080229059.db2.gz HRKKUAQUVHTDHP-LPHOPBHVSA-N 1 1 402.539 2.816 20 0 HFADMO CC[C@H](NC(=O)c1ccc(C(OC)OC)o1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000807070167 1080253084 /nfs/dbraw/zinc/25/30/84/1080253084.db2.gz RMOURFFKAZLJSD-FXAWDEMLSA-N 1 1 402.491 2.980 20 0 HFADMO CC[C@H](NC(=O)c1ccc(C(OC)OC)o1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000807070167 1080253095 /nfs/dbraw/zinc/25/30/95/1080253095.db2.gz RMOURFFKAZLJSD-FXAWDEMLSA-N 1 1 402.491 2.980 20 0 HFADMO CC(C)(O)c1cccc(NC(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000807072444 1080255747 /nfs/dbraw/zinc/25/57/47/1080255747.db2.gz PONNANXFPBMHAL-DEOSSOPVSA-N 1 1 409.530 2.881 20 0 HFADMO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000807088330 1080266801 /nfs/dbraw/zinc/26/68/01/1080266801.db2.gz OKFBSLCTIIOYSQ-JOCHJYFZSA-N 1 1 415.578 2.849 20 0 HFADMO C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)[C@@H]1c1ccccc1 ZINC000807088254 1080266878 /nfs/dbraw/zinc/26/68/78/1080266878.db2.gz NERQWHNUAFJPPB-ZRBLBEILSA-N 1 1 421.541 2.832 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)N(C)OCc1ccccc1 ZINC000807115070 1080291575 /nfs/dbraw/zinc/29/15/75/1080291575.db2.gz VAVGZPBNHKODGL-NGRWLJPCSA-N 1 1 409.530 2.849 20 0 HFADMO C[C@]1(CNC(=O)C(=O)NC[C@@H]2CCc3ccccc3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000807116924 1080292485 /nfs/dbraw/zinc/29/24/85/1080292485.db2.gz RALNIWRUOJIVOI-QFQXNSOFSA-N 1 1 419.569 2.936 20 0 HFADMO CCOc1ccc([C@@H](O)C2CC[NH+](CC(=O)N3C[C@@H](C)OC(C)(C)C3)CC2)cc1 ZINC001170518728 1080309023 /nfs/dbraw/zinc/30/90/23/1080309023.db2.gz JIGPEKFNYXRTHD-VGOFRKELSA-N 1 1 404.551 2.857 20 0 HFADMO CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000807181261 1080375320 /nfs/dbraw/zinc/37/53/20/1080375320.db2.gz PJLKLSFSYLYSAB-OALUTQOASA-N 1 1 412.575 2.578 20 0 HFADMO CC[NH+]1CCN(c2ccc(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)cc2F)CC1 ZINC000807233746 1080391872 /nfs/dbraw/zinc/39/18/72/1080391872.db2.gz ZJNUWGAFXNWOLD-SREVYHEPSA-N 1 1 420.529 2.778 20 0 HFADMO COCC1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000807265556 1080417462 /nfs/dbraw/zinc/41/74/62/1080417462.db2.gz GAXOEZJMMBWLPB-MSOLQXFVSA-N 1 1 424.586 2.528 20 0 HFADMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001130895655 1080432500 /nfs/dbraw/zinc/43/25/00/1080432500.db2.gz UADJQUNRIVEBRJ-STQMWFEESA-N 1 1 420.000 2.544 20 0 HFADMO CCOC(=O)C1C[N@@H+](Cc2ccccc2)CCC1=Nc1nc(C)cc(C(=O)OC)n1 ZINC001170521972 1080491115 /nfs/dbraw/zinc/49/11/15/1080491115.db2.gz RUDFXJNLIFOURL-UHFFFAOYSA-N 1 1 410.474 2.707 20 0 HFADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)[C@H](C)C1 ZINC000807318082 1080511583 /nfs/dbraw/zinc/51/15/83/1080511583.db2.gz FMGKYDDXFQKNIE-MRXNPFEDSA-N 1 1 418.538 2.545 20 0 HFADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)[C@H](C)C1 ZINC000807318082 1080511590 /nfs/dbraw/zinc/51/15/90/1080511590.db2.gz FMGKYDDXFQKNIE-MRXNPFEDSA-N 1 1 418.538 2.545 20 0 HFADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)[C@@H](C)C1 ZINC000807318857 1080512382 /nfs/dbraw/zinc/51/23/82/1080512382.db2.gz LJKVQXFXZSFVLH-ZDUSSCGKSA-N 1 1 408.474 2.664 20 0 HFADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)[C@@H](C)C1 ZINC000807318857 1080512388 /nfs/dbraw/zinc/51/23/88/1080512388.db2.gz LJKVQXFXZSFVLH-ZDUSSCGKSA-N 1 1 408.474 2.664 20 0 HFADMO Cc1ccc(NC(=O)C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)nc1Br ZINC000807413197 1080608894 /nfs/dbraw/zinc/60/88/94/1080608894.db2.gz FVIRXNAENOYNSF-UHFFFAOYSA-N 1 1 423.311 2.665 20 0 HFADMO C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC(O)(c2scnc2Br)CC1 ZINC000807459331 1080635989 /nfs/dbraw/zinc/63/59/89/1080635989.db2.gz ZAAHIWABEBAEQK-ZDUSSCGKSA-N 1 1 416.385 2.980 20 0 HFADMO C[C@H](NC(=O)C(=O)N(C)C1CCCCCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000807470544 1080652125 /nfs/dbraw/zinc/65/21/25/1080652125.db2.gz PYROKWVWILNCQX-SIKLNZKXSA-N 1 1 415.578 2.963 20 0 HFADMO C[C@H](NC(=O)C(=O)N(C)C1CCCCCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000807470544 1080652131 /nfs/dbraw/zinc/65/21/31/1080652131.db2.gz PYROKWVWILNCQX-SIKLNZKXSA-N 1 1 415.578 2.963 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)Nc2cc(C3CCCCC3)nn2C)cn1 ZINC000807478279 1080729887 /nfs/dbraw/zinc/72/98/87/1080729887.db2.gz FTIKXPBATLKODJ-UHFFFAOYSA-N 1 1 407.478 2.934 20 0 HFADMO CO[C@@H]1Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C)cc2C1 ZINC000807543634 1080760499 /nfs/dbraw/zinc/76/04/99/1080760499.db2.gz JWYCSGXZPOGWTB-NPFVIJTESA-N 1 1 407.514 2.518 20 0 HFADMO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000807547005 1080762963 /nfs/dbraw/zinc/76/29/63/1080762963.db2.gz VKSRMJXREMJHMG-OIBXWCBGSA-N 1 1 423.557 2.514 20 0 HFADMO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc3[nH]ccc32)C[C@H]1c1ccc(O)cc1 ZINC001170527963 1080783539 /nfs/dbraw/zinc/78/35/39/1080783539.db2.gz SHFFVIORBPTUHI-YZGWKJHDSA-N 1 1 410.470 2.502 20 0 HFADMO CCN(CCc1ccccn1)C(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000807582898 1080794978 /nfs/dbraw/zinc/79/49/78/1080794978.db2.gz WIACLPMSTQSCRV-YLJYHZDGSA-N 1 1 414.575 2.733 20 0 HFADMO CCN(CCc1ccccn1)C(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000807582897 1080795011 /nfs/dbraw/zinc/79/50/11/1080795011.db2.gz WIACLPMSTQSCRV-XLIONFOSSA-N 1 1 414.575 2.733 20 0 HFADMO COC[C@]1(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CCCN1C(=O)OC(C)(C)C ZINC000807554379 1080803171 /nfs/dbraw/zinc/80/31/71/1080803171.db2.gz TWRHDXLVJYLNTC-NJNPRVFISA-N 1 1 424.586 2.528 20 0 HFADMO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)s1 ZINC001308038105 1126162408 /nfs/dbraw/zinc/16/24/08/1126162408.db2.gz IGIDXZWVGZEEIX-GOEBONIOSA-N 1 1 422.494 2.623 20 0 HFADMO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)s1 ZINC001308038107 1126162697 /nfs/dbraw/zinc/16/26/97/1126162697.db2.gz IGIDXZWVGZEEIX-ZBFHGGJFSA-N 1 1 422.494 2.623 20 0 HFADMO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC001460854984 1126192148 /nfs/dbraw/zinc/19/21/48/1126192148.db2.gz AXUTVWAHTUHXBS-SFHVURJKSA-N 1 1 409.387 2.904 20 0 HFADMO COC(=O)c1nc2cnccc2c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164629782 719083522 /nfs/dbraw/zinc/08/35/22/719083522.db2.gz ZATPHLDRJJGNBM-PXNSSMCTSA-N 1 1 403.486 2.912 20 0 HFADMO COC(=O)c1nc2cnccc2c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164629783 719083965 /nfs/dbraw/zinc/08/39/65/719083965.db2.gz ZATPHLDRJJGNBM-XLIONFOSSA-N 1 1 403.486 2.912 20 0 HFADMO C[C@@H]1C[N@H+](C)[C@H](C)CN1[C@@]1(F)CN(C2CCCC2)c2nc(Cl)ncc2N(C)C1=O ZINC001164642547 719230246 /nfs/dbraw/zinc/23/02/46/719230246.db2.gz WMPWERBEDPODFH-JZKQVHKSSA-N 1 1 424.952 2.546 20 0 HFADMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1[C@@]1(F)CN(C2CCCC2)c2nc(Cl)ncc2N(C)C1=O ZINC001164642547 719230250 /nfs/dbraw/zinc/23/02/50/719230250.db2.gz WMPWERBEDPODFH-JZKQVHKSSA-N 1 1 424.952 2.546 20 0 HFADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4C[C@H](c5nc(C6CC6)cs5)O[C@@H]4C3)n2)CC1 ZINC001164645589 719290546 /nfs/dbraw/zinc/29/05/46/719290546.db2.gz KZVVHSIVPGIEAP-CGTJXYLNSA-N 1 1 412.563 2.529 20 0 HFADMO C[NH+]1CCC(Oc2ccnc(N3CCO[C@H]4[C@H]3CC[C@@H]4OCc3ccncc3)c2)CC1 ZINC001164655115 719295506 /nfs/dbraw/zinc/29/55/06/719295506.db2.gz SGZWEKXWFRAMJG-GPXNEJASSA-N 1 1 424.545 2.903 20 0 HFADMO CCOC(=O)c1cnc(SC)nc1N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001164647465 719306978 /nfs/dbraw/zinc/30/69/78/719306978.db2.gz MICJLQNSXVHYSW-UHFFFAOYSA-N 1 1 418.567 2.777 20 0 HFADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](OCC(=O)NC)CO3)CC2)nc1 ZINC001164678099 719555389 /nfs/dbraw/zinc/55/53/89/719555389.db2.gz VNZRXOFPGVGDHF-UXHICEINSA-N 1 1 416.566 2.519 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncnc3sc4c(c31)CC[C@@H](C)C4)CC2 ZINC001164685970 719717961 /nfs/dbraw/zinc/71/79/61/719717961.db2.gz OAANYIIYWHMPBG-OAHLLOKOSA-N 1 1 413.591 2.997 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)ccc1CN1CCCC1)CC2 ZINC001164686787 719726179 /nfs/dbraw/zinc/72/61/79/719726179.db2.gz SOJOWQCACMKHQK-UHFFFAOYSA-N 1 1 405.974 2.512 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)cc(Cc3ccccc3)n1)CC2 ZINC001164687371 719731580 /nfs/dbraw/zinc/73/15/80/719731580.db2.gz WLUUUOCKHXGSTH-UHFFFAOYSA-N 1 1 413.953 2.902 20 0 HFADMO COC(=O)c1cc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)ncc1N ZINC001164693914 719806581 /nfs/dbraw/zinc/80/65/81/719806581.db2.gz SEYBFCVQQMMDDY-UHFFFAOYSA-N 1 1 401.536 2.850 20 0 HFADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc2ncccc21 ZINC001164706910 719851701 /nfs/dbraw/zinc/85/17/01/719851701.db2.gz ZNYSENGZOJRGBC-VBKZILBWSA-N 1 1 404.898 2.516 20 0 HFADMO COC(=O)c1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)ncc1F ZINC001164694681 719889920 /nfs/dbraw/zinc/88/99/20/719889920.db2.gz CCPJPQPPNAGFDS-UHFFFAOYSA-N 1 1 405.495 2.940 20 0 HFADMO NC(=O)c1ccc(Cl)nc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696916 719893003 /nfs/dbraw/zinc/89/30/03/719893003.db2.gz IHWBZPNVHQNLMR-UHFFFAOYSA-N 1 1 406.939 2.767 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H]2CCCO[C@H]2[C@@H](NC(=O)c2cnccn2)C1 ZINC001164710190 720056731 /nfs/dbraw/zinc/05/67/31/720056731.db2.gz CVVGIYZUKHJBDM-UCLAIMLFSA-N 1 1 415.925 2.670 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@@H]2CCCO[C@H]2[C@@H](NC(=O)c2cnccn2)C1 ZINC001164710190 720056741 /nfs/dbraw/zinc/05/67/41/720056741.db2.gz CVVGIYZUKHJBDM-UCLAIMLFSA-N 1 1 415.925 2.670 20 0 HFADMO CCN(C)c1ccnc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164712020 720092911 /nfs/dbraw/zinc/09/29/11/720092911.db2.gz UDHDZQLLNYWHSR-HXUWFJFHSA-N 1 1 410.566 2.835 20 0 HFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cccnc31)CC2 ZINC001164712038 720101415 /nfs/dbraw/zinc/10/14/15/720101415.db2.gz ULNCQFNMCVWOLD-LJQANCHMSA-N 1 1 404.518 2.927 20 0 HFADMO CCOC(=O)c1cc2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)c2[nH]1 ZINC001164809057 720102019 /nfs/dbraw/zinc/10/20/19/720102019.db2.gz GNPGGEZWSISTAF-FDDCHVKYSA-N 1 1 412.534 2.924 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc(Cl)c1[C@H](C)C(=O)OC)C2 ZINC001164811834 720201584 /nfs/dbraw/zinc/20/15/84/720201584.db2.gz KFSJRZDRSVHJKZ-WDUKFBBWSA-N 1 1 422.957 2.591 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4cc(Cl)ccc4n3)C2)C1 ZINC001164716426 720220537 /nfs/dbraw/zinc/22/05/37/720220537.db2.gz COWYRALEUHXTNO-NRFANRHFSA-N 1 1 402.926 2.553 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4cc(Cl)ccc4n3)C2)C1 ZINC001164716426 720220554 /nfs/dbraw/zinc/22/05/54/720220554.db2.gz COWYRALEUHXTNO-NRFANRHFSA-N 1 1 402.926 2.553 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4ccsc43)C2)C1 ZINC001164719754 720237673 /nfs/dbraw/zinc/23/76/73/720237673.db2.gz OOTROMOBMMFNMG-LJQANCHMSA-N 1 1 408.955 2.615 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4ccsc43)C2)C1 ZINC001164719754 720237675 /nfs/dbraw/zinc/23/76/75/720237675.db2.gz OOTROMOBMMFNMG-LJQANCHMSA-N 1 1 408.955 2.615 20 0 HFADMO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc3[nH]cnc3cc2Cl)CC1 ZINC001164831439 720325117 /nfs/dbraw/zinc/32/51/17/720325117.db2.gz SAYMLFUOSXRJTN-DLBZAZTESA-N 1 1 402.930 2.523 20 0 HFADMO c1cc2nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc(N3CCOCC3)c2s1 ZINC001164729889 720348186 /nfs/dbraw/zinc/34/81/86/720348186.db2.gz YTUBGJSIXNZSMY-RTBURBONSA-N 1 1 422.558 2.776 20 0 HFADMO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164735125 720414769 /nfs/dbraw/zinc/41/47/69/720414769.db2.gz WGISKLJWYAHQCB-PMACEKPBSA-N 1 1 409.534 2.807 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCn3c(CN(C)C(C)=O)nnc3C2)nc1 ZINC001164828546 720415299 /nfs/dbraw/zinc/41/52/99/720415299.db2.gz XDGVIQNKJWMXMB-LJQANCHMSA-N 1 1 411.554 2.609 20 0 HFADMO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164735749 720426508 /nfs/dbraw/zinc/42/65/08/720426508.db2.gz YNCUDKGPQUCRMM-HZPDHXFCSA-N 1 1 407.852 2.627 20 0 HFADMO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164735749 720426512 /nfs/dbraw/zinc/42/65/12/720426512.db2.gz YNCUDKGPQUCRMM-HZPDHXFCSA-N 1 1 407.852 2.627 20 0 HFADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c12 ZINC001164730257 720428406 /nfs/dbraw/zinc/42/84/06/720428406.db2.gz IXZSLOMQHJWTHF-LSDHHAIUSA-N 1 1 412.881 2.646 20 0 HFADMO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731556 720482201 /nfs/dbraw/zinc/48/22/01/720482201.db2.gz WKTIRMRBEWZHIK-VNQPRFMTSA-N 1 1 401.898 2.655 20 0 HFADMO Cc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1N1CCCC1 ZINC001164836551 720504549 /nfs/dbraw/zinc/50/45/49/720504549.db2.gz NESCFYGSAYGFBB-NJDAHSKKSA-N 1 1 409.582 2.960 20 0 HFADMO Cc1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C(N)=O ZINC001164839404 720510968 /nfs/dbraw/zinc/51/09/68/720510968.db2.gz UAYJFAYQDWFLSK-IXDOHACOSA-N 1 1 416.957 2.717 20 0 HFADMO Clc1ccc(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1 ZINC001164740190 720637282 /nfs/dbraw/zinc/63/72/82/720637282.db2.gz HQGDOPTVWMOYAA-MSOLQXFVSA-N 1 1 408.893 2.929 20 0 HFADMO Clc1cc(-c2ccnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2)ccn1 ZINC001164743103 720655586 /nfs/dbraw/zinc/65/55/86/720655586.db2.gz OYNFMRNPNBNQPS-MSOLQXFVSA-N 1 1 408.893 2.929 20 0 HFADMO Fc1cccc(Oc2ccnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)c1 ZINC001164743390 720743636 /nfs/dbraw/zinc/74/36/36/720743636.db2.gz PUVJDUXGSVDJIL-AEFFLSMTSA-N 1 1 408.437 2.540 20 0 HFADMO CC(C)n1ccc2c1nc(Cl)nc2N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741489 720749618 /nfs/dbraw/zinc/74/96/18/720749618.db2.gz MRVWXMIDTUCESH-HUUCEWRRSA-N 1 1 413.913 2.798 20 0 HFADMO c1ccc(COc2cccnc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC001164746933 720755311 /nfs/dbraw/zinc/75/53/11/720755311.db2.gz YYPSTFKIQMCJKA-WOJBJXKFSA-N 1 1 403.486 2.793 20 0 HFADMO CCc1nc2sc3c(c2c(N2CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C2)n1)CCC3 ZINC001164741129 720758996 /nfs/dbraw/zinc/75/89/96/720758996.db2.gz MIMZQBIWHCKFLQ-HUUCEWRRSA-N 1 1 422.558 2.874 20 0 HFADMO Cc1ccc(C)c(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)c1 ZINC001164741145 720772600 /nfs/dbraw/zinc/77/26/00/720772600.db2.gz MJSXQVCMJXQPGQ-RBUKOAKNSA-N 1 1 402.502 2.892 20 0 HFADMO CCOc1ccc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1 ZINC001164738633 720780154 /nfs/dbraw/zinc/78/01/54/720780154.db2.gz GMPPSIQQIJOTSH-UYAOXDASSA-N 1 1 418.501 2.674 20 0 HFADMO CCc1ccc(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1 ZINC001164738037 720781745 /nfs/dbraw/zinc/78/17/45/720781745.db2.gz DOLQXZACYIMAPQ-UXHICEINSA-N 1 1 402.502 2.838 20 0 HFADMO Cc1c(Cl)nc(CC(C)C)nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164751211 720800983 /nfs/dbraw/zinc/80/09/83/720800983.db2.gz XLOBUQXKEAQENY-HZPDHXFCSA-N 1 1 402.930 2.769 20 0 HFADMO FC(F)(c1ccnc(Cl)n1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744191 720808040 /nfs/dbraw/zinc/80/80/40/720808040.db2.gz HWQYJONMCWHPGC-OWCLPIDISA-N 1 1 423.899 2.646 20 0 HFADMO Clc1nc2[nH]ccc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164742359 720809463 /nfs/dbraw/zinc/80/94/63/720809463.db2.gz CYALROXLJJMMGK-BFYDXBDKSA-N 1 1 412.929 2.582 20 0 HFADMO Clc1cc(Cl)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1 ZINC001164747756 720813166 /nfs/dbraw/zinc/81/31/66/720813166.db2.gz PHHKMSUZXOPRMH-IJEWVQPXSA-N 1 1 408.337 2.754 20 0 HFADMO FC(F)(c1nccc(Cl)n1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164752075 720814679 /nfs/dbraw/zinc/81/46/79/720814679.db2.gz YNZLTLHWRPDLSC-BZUAXINKSA-N 1 1 423.899 2.646 20 0 HFADMO CSc1ncc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164743852 720816318 /nfs/dbraw/zinc/81/63/18/720816318.db2.gz SVYMPGCXZKKVCI-YQQAZPJKSA-N 1 1 419.986 2.823 20 0 HFADMO Cc1ccc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164741445 720819280 /nfs/dbraw/zinc/81/92/80/720819280.db2.gz NVPJCHBXBYKRRT-WOIUINJBSA-N 1 1 403.534 2.909 20 0 HFADMO Fc1ccc2ncc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1 ZINC001164738793 720824480 /nfs/dbraw/zinc/82/44/80/720824480.db2.gz GRLUQMSHCAVTGO-YRISNDGFSA-N 1 1 407.497 2.740 20 0 HFADMO FC(F)(c1cnnc(Cl)c1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737672 720829008 /nfs/dbraw/zinc/82/90/08/720829008.db2.gz BRNKGOYZVGMZNA-HYVNUMGLSA-N 1 1 423.899 2.646 20 0 HFADMO Cc1nc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1C ZINC001164737433 720829501 /nfs/dbraw/zinc/82/95/01/720829501.db2.gz BCCCVJVGIVHEMB-RCCFBDPRSA-N 1 1 401.946 2.718 20 0 HFADMO COc1ccc(Cl)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164746748 720829630 /nfs/dbraw/zinc/82/96/30/720829630.db2.gz YTZZNGVYZJXHDE-SOLBZPMBSA-N 1 1 402.930 2.715 20 0 HFADMO Cc1[nH]c2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1C ZINC001164737385 720831007 /nfs/dbraw/zinc/83/10/07/720831007.db2.gz AQDANPSLYDOKDO-IPMKNSEASA-N 1 1 406.538 2.546 20 0 HFADMO COc1ccc(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739341 720832666 /nfs/dbraw/zinc/83/26/66/720832666.db2.gz AAVBSKWGVRNVOJ-IXDOHACOSA-N 1 1 402.930 2.715 20 0 HFADMO FC(F)(c1nccnc1Cl)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743620 720842999 /nfs/dbraw/zinc/84/29/99/720842999.db2.gz JQHFXFZMCLEYEX-ARFHVFGLSA-N 1 1 423.899 2.646 20 0 HFADMO CCc1c(Cl)ncnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747294 720850311 /nfs/dbraw/zinc/85/03/11/720850311.db2.gz QCQZTGYIOPADEL-SOLBZPMBSA-N 1 1 401.946 2.663 20 0 HFADMO CCCSc1cncc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164741928 720850845 /nfs/dbraw/zinc/85/08/45/720850845.db2.gz FYHQKDDLORPSKP-GUDVDZBRSA-N 1 1 413.595 2.950 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nccc(-c4c[nH]c5ccccc54)n3)CC[C@@H]2C1 ZINC001164857487 720852778 /nfs/dbraw/zinc/85/27/78/720852778.db2.gz QYYAEBQWGJMJOF-VGSWGCGISA-N 1 1 407.518 2.798 20 0 HFADMO CC(C)Sc1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1 ZINC001164748801 720853087 /nfs/dbraw/zinc/85/30/87/720853087.db2.gz MDZRHMUADWFLFB-GBESFXJTSA-N 1 1 413.595 2.948 20 0 HFADMO CCc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)nc1C ZINC001164748132 720859684 /nfs/dbraw/zinc/85/96/84/720859684.db2.gz KJMZNHBVGAUBCX-ZHALLVOQSA-N 1 1 415.973 2.972 20 0 HFADMO COc1nccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747988 720869163 /nfs/dbraw/zinc/86/91/63/720869163.db2.gz DBRMCJXILQBGEK-NFBKMPQASA-N 1 1 409.534 2.635 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)CC[C@@H]2C1 ZINC001164859495 720869885 /nfs/dbraw/zinc/86/98/85/720869885.db2.gz UDRGOAXXCBEGIJ-CABCVRRESA-N 1 1 414.884 2.935 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(C)nc4sc5c(c43)CCC5)CC[C@H]2C1 ZINC001164864970 720874247 /nfs/dbraw/zinc/87/42/47/720874247.db2.gz XOEDGYDCHAJDFL-RDJZCZTQSA-N 1 1 402.564 2.662 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(C)nc4sc5c(c43)CCC5)CC[C@@H]2C1 ZINC001164864967 720874578 /nfs/dbraw/zinc/87/45/78/720874578.db2.gz XOEDGYDCHAJDFL-NVXWUHKLSA-N 1 1 402.564 2.662 20 0 HFADMO CCN(c1ccccc1)c1cc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)ncn1 ZINC001164853397 720884114 /nfs/dbraw/zinc/88/41/14/720884114.db2.gz CMOZIVZPXCREJS-TZIWHRDSSA-N 1 1 411.550 2.808 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(C(F)F)nc4ccc(F)cc43)CC[C@H]2C1 ZINC001164858465 720886128 /nfs/dbraw/zinc/88/61/28/720886128.db2.gz KXSBZDAZNIRSQF-GUYCJALGSA-N 1 1 410.440 2.880 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3c(Cl)nc(Cl)nc3C3CC3)CC[C@@H]2C1 ZINC001164865220 720889564 /nfs/dbraw/zinc/88/95/64/720889564.db2.gz YWBHMBGFISHKGC-ZIAGYGMSSA-N 1 1 401.338 2.834 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3c(Cl)nc(Cl)nc3C3CC3)CC[C@@H]2C1 ZINC001164865216 720889675 /nfs/dbraw/zinc/88/96/75/720889675.db2.gz YWBHMBGFISHKGC-KGLIPLIRSA-N 1 1 401.338 2.834 20 0 HFADMO COc1ccc(C(F)(F)N2CCc3[nH+]cc(Cn4cccn4)n3CC2)c(Cl)n1 ZINC001164861128 721032006 /nfs/dbraw/zinc/03/20/06/721032006.db2.gz CODJSCUSGLQCIF-UHFFFAOYSA-N 1 1 408.840 2.793 20 0 HFADMO CCOC(=O)c1cnc(Cl)cc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868739 721043894 /nfs/dbraw/zinc/04/38/94/721043894.db2.gz QENZHPQFCUYFDJ-IAGOWNOFSA-N 1 1 416.909 2.786 20 0 HFADMO Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3c2cc(OC3CC[NH+](C)CC3)ccn2)n1 ZINC001164771973 721056296 /nfs/dbraw/zinc/05/62/96/721056296.db2.gz NZKXYPXYYAFZTF-FGZHOGPDSA-N 1 1 421.545 2.638 20 0 HFADMO CC(C)(C)OC(=O)c1ccnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164867689 721057760 /nfs/dbraw/zinc/05/77/60/721057760.db2.gz JRMWYWQPXGLQJV-UXHICEINSA-N 1 1 410.518 2.912 20 0 HFADMO COC(=O)c1ccc2c(ccnc2N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164866370 721076978 /nfs/dbraw/zinc/07/69/78/721076978.db2.gz SVVKXAPECARKES-LEWJYISDSA-N 1 1 418.497 2.896 20 0 HFADMO CCOc1ccc2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164865436 721096042 /nfs/dbraw/zinc/09/60/42/721096042.db2.gz LHUXLQRJCJMPRD-QUCCMNQESA-N 1 1 405.502 2.903 20 0 HFADMO CCOC(=O)c1c(C)nc(Cl)cc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164771392 721106591 /nfs/dbraw/zinc/10/65/91/721106591.db2.gz SNEAYXHVNJRNER-IRXDYDNUSA-N 1 1 417.941 2.912 20 0 HFADMO CCOC(=O)c1c(C)cc(Cl)nc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164769946 721106760 /nfs/dbraw/zinc/10/67/60/721106760.db2.gz QMJPJSQVVIODQU-IRXDYDNUSA-N 1 1 417.941 2.912 20 0 HFADMO COC(=O)c1ccc2nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)ccc2c1 ZINC001164768168 721115805 /nfs/dbraw/zinc/11/58/05/721115805.db2.gz NNCGWTXZYCUQNC-VQTJNVASSA-N 1 1 405.502 2.713 20 0 HFADMO COc1ccc(C(F)(F)N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(Cl)n1 ZINC001164772728 721125951 /nfs/dbraw/zinc/12/59/51/721125951.db2.gz VRUOFYDNASSNPM-HUUCEWRRSA-N 1 1 411.884 2.980 20 0 HFADMO C=Cc1nc(Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1OC ZINC001164873662 721134140 /nfs/dbraw/zinc/13/41/40/721134140.db2.gz JWHKUJQEBRRSNQ-JKSUJKDBSA-N 1 1 401.898 2.656 20 0 HFADMO COc1cccc(-c2ccnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)c1 ZINC001164773828 721167781 /nfs/dbraw/zinc/16/77/81/721167781.db2.gz XIVVKWLFHOQMST-VQTJNVASSA-N 1 1 404.518 2.844 20 0 HFADMO COC(=O)c1cc2ccccc2c(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164770914 721209830 /nfs/dbraw/zinc/20/98/30/721209830.db2.gz PFMXOMYEDDAFDJ-MOPGFXCFSA-N 1 1 405.502 2.713 20 0 HFADMO CC(C)c1noc(-c2ccnc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2)n1 ZINC001164773822 721223849 /nfs/dbraw/zinc/22/38/49/721223849.db2.gz XFGKEVMIBUPZMX-MOPGFXCFSA-N 1 1 407.522 2.947 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5[nH]c6cc(F)ccc6c54)C[C@@H]3C2)cn1 ZINC001164761515 721244858 /nfs/dbraw/zinc/24/48/58/721244858.db2.gz JHOYFEMBFDCYFP-HOTGVXAUSA-N 1 1 405.481 2.942 20 0 HFADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001164874621 721326092 /nfs/dbraw/zinc/32/60/92/721326092.db2.gz CRQXHMLCWDPDFE-UHFFFAOYSA-N 1 1 402.829 2.701 20 0 HFADMO CSc1cc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)ncn1 ZINC001164777986 721338423 /nfs/dbraw/zinc/33/84/23/721338423.db2.gz RSXVMOYQHALURT-FQEVSTJZSA-N 1 1 403.552 2.922 20 0 HFADMO CSc1cc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)ncn1 ZINC001164777986 721338428 /nfs/dbraw/zinc/33/84/28/721338428.db2.gz RSXVMOYQHALURT-FQEVSTJZSA-N 1 1 403.552 2.922 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cccc(Cl)[n+]3[O-])C2)C1 ZINC001164778195 721345308 /nfs/dbraw/zinc/34/53/08/721345308.db2.gz KNHQNWHKQNXEEJ-HXUWFJFHSA-N 1 1 406.914 2.697 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cccc(Cl)[n+]3[O-])C2)C1 ZINC001164778195 721345311 /nfs/dbraw/zinc/34/53/11/721345311.db2.gz KNHQNWHKQNXEEJ-HXUWFJFHSA-N 1 1 406.914 2.697 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4onc(C)c43)C2)C1 ZINC001164786152 721370544 /nfs/dbraw/zinc/37/05/44/721370544.db2.gz WOZARGJQUZRVPK-NRFANRHFSA-N 1 1 412.494 2.650 20 0 HFADMO Cc1csc2ncnc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c12 ZINC001164886261 721380951 /nfs/dbraw/zinc/38/09/51/721380951.db2.gz DVOIBPGTONCCBM-DYESRHJHSA-N 1 1 401.580 2.765 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)nc(C5CC5)n4)C3)O2)CC1 ZINC001164888603 721388659 /nfs/dbraw/zinc/38/86/59/721388659.db2.gz KIYCZTOLXZUJHF-UTKZUKDTSA-N 1 1 405.974 2.773 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc5[nH]ccc5cc4Cl)C3)O2)CC1 ZINC001164885805 721420582 /nfs/dbraw/zinc/42/05/82/721420582.db2.gz HMVSCWMSCDJIGV-UTKZUKDTSA-N 1 1 403.958 2.933 20 0 HFADMO COC(=O)/C=C\c1cc2cc[nH]c2c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164785524 721420922 /nfs/dbraw/zinc/42/09/22/721420922.db2.gz NDHQGSWPMYZVBH-SUSYHVFKSA-N 1 1 409.515 2.774 20 0 HFADMO FC(F)(COc1ccc(Cl)nn1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164784169 721425830 /nfs/dbraw/zinc/42/58/30/721425830.db2.gz KROLAGFFKDYXEW-VXGBXAGGSA-N 1 1 401.870 2.622 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(-c5ccccc5)ncn4)C3)O2)CC1 ZINC001164896423 721432526 /nfs/dbraw/zinc/43/25/26/721432526.db2.gz RIHAZNBWEHNYNW-URXFXBBRSA-N 1 1 407.562 2.909 20 0 HFADMO Clc1nc2c(Cl)ncnc2c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164785531 721433218 /nfs/dbraw/zinc/43/32/18/721433218.db2.gz NNPQPKNHOBFBPF-AOOOYVTPSA-N 1 1 408.318 2.751 20 0 HFADMO Clc1nc2c(Cl)ncnc2c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164785531 721433222 /nfs/dbraw/zinc/43/32/22/721433222.db2.gz NNPQPKNHOBFBPF-AOOOYVTPSA-N 1 1 408.318 2.751 20 0 HFADMO Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(C(C)(C)C)n1 ZINC001164898414 721438641 /nfs/dbraw/zinc/43/86/41/721438641.db2.gz VYOAQPOURFOFJD-WMZHIEFXSA-N 1 1 401.599 2.848 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccsc5)nn4)C3)O2)CC1 ZINC001164898515 721445175 /nfs/dbraw/zinc/44/51/75/721445175.db2.gz WCYNYURJCZHSHQ-UGKGYDQZSA-N 1 1 413.591 2.971 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(Cl)nncc1OC)CC2 ZINC001164788685 721459362 /nfs/dbraw/zinc/45/93/62/721459362.db2.gz VNLGRNUHPJKLET-KRWDZBQOSA-N 1 1 424.973 2.873 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(SC)cn1)CC2 ZINC001164790068 721461951 /nfs/dbraw/zinc/46/19/51/721461951.db2.gz ZKSBEEKDZOGZOR-GOSISDBHSA-N 1 1 406.596 2.932 20 0 HFADMO Cc1nc(-n2cncn2)cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164795506 721502936 /nfs/dbraw/zinc/50/29/36/721502936.db2.gz KMAKJAODTNSTFG-UHFFFAOYSA-N 1 1 404.522 2.642 20 0 HFADMO COC(=O)c1ncnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1OC ZINC001164795280 721504412 /nfs/dbraw/zinc/50/44/12/721504412.db2.gz JHOVEXZPGAZLSE-UHFFFAOYSA-N 1 1 411.506 2.548 20 0 HFADMO COC(=O)c1ccc2c(c1)ncnc2N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164896358 721517171 /nfs/dbraw/zinc/51/71/71/721517171.db2.gz BDWIYPYTXSBEOX-HKUYNNGSSA-N 1 1 422.460 2.897 20 0 HFADMO CCOC(=O)c1cc(Cl)nnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164899708 721522260 /nfs/dbraw/zinc/52/22/60/721522260.db2.gz LULYQBWSCBERQA-ZBFHGGJFSA-N 1 1 420.872 2.788 20 0 HFADMO Cc1cc(N2CCCC2)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164796192 721523889 /nfs/dbraw/zinc/52/38/89/721523889.db2.gz XQCVKAJWXNEDMU-URVUXULASA-N 1 1 408.550 2.648 20 0 HFADMO Cc1cc(N2CCCC2)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164796192 721523894 /nfs/dbraw/zinc/52/38/94/721523894.db2.gz XQCVKAJWXNEDMU-URVUXULASA-N 1 1 408.550 2.648 20 0 HFADMO CCOC(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1C ZINC001164795625 721526017 /nfs/dbraw/zinc/52/60/17/721526017.db2.gz PKEHRJRFLLQEDI-RZUBCFFCSA-N 1 1 410.518 2.830 20 0 HFADMO CCOC(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1C ZINC001164795625 721526018 /nfs/dbraw/zinc/52/60/18/721526018.db2.gz PKEHRJRFLLQEDI-RZUBCFFCSA-N 1 1 410.518 2.830 20 0 HFADMO COC(=O)c1c(Cl)ccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164805993 721531167 /nfs/dbraw/zinc/53/11/67/721531167.db2.gz NESAZYHPXRMCQB-ZIFCJYIRSA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1c(Cl)ccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164805993 721531172 /nfs/dbraw/zinc/53/11/72/721531172.db2.gz NESAZYHPXRMCQB-ZIFCJYIRSA-N 1 1 416.909 2.785 20 0 HFADMO COCc1cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(SC)n1 ZINC001164909230 721532050 /nfs/dbraw/zinc/53/20/50/721532050.db2.gz QZJSVSQBJQJFHV-AEFFLSMTSA-N 1 1 404.511 2.826 20 0 HFADMO COC(=O)c1cc(F)c(C)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909730 721534099 /nfs/dbraw/zinc/53/40/99/721534099.db2.gz RRZAGRBUQHEWNI-DOTOQJQBSA-N 1 1 403.429 2.797 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)nc2)[C@@H]2CCCO[C@@H]12 ZINC001164803089 721536282 /nfs/dbraw/zinc/53/62/82/721536282.db2.gz HWIMNUDGMCBRME-BRWVUGGUSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)nc2)[C@@H]2CCCO[C@@H]12 ZINC001164803089 721536288 /nfs/dbraw/zinc/53/62/88/721536288.db2.gz HWIMNUDGMCBRME-BRWVUGGUSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nn2)[C@H]2CCCO[C@H]12 ZINC001164802440 721537343 /nfs/dbraw/zinc/53/73/43/721537343.db2.gz GJCQXZUGHVWSTC-DAYGRLMNSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nn2)[C@H]2CCCO[C@H]12 ZINC001164802440 721537345 /nfs/dbraw/zinc/53/73/45/721537345.db2.gz GJCQXZUGHVWSTC-DAYGRLMNSA-N 1 1 409.868 2.938 20 0 HFADMO COC(=O)c1c(C)cc(C)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164807834 721551927 /nfs/dbraw/zinc/55/19/27/721551927.db2.gz RMJKCKYPEMTIDM-IRFCIJBXSA-N 1 1 410.518 2.748 20 0 HFADMO COC(=O)c1c(C)cc(C)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164807834 721551931 /nfs/dbraw/zinc/55/19/31/721551931.db2.gz RMJKCKYPEMTIDM-IRFCIJBXSA-N 1 1 410.518 2.748 20 0 HFADMO O=c1ccccn1Cc1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164911293 721556215 /nfs/dbraw/zinc/55/62/15/721556215.db2.gz YSSCFUNVBRUZTM-IFMALSPDSA-N 1 1 420.488 2.773 20 0 HFADMO COC(=O)c1ccc(Cl)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164800854 721559353 /nfs/dbraw/zinc/55/93/53/721559353.db2.gz FQVOBVMCFHGYMT-QYZOEREBSA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1ccc(Cl)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164800854 721559356 /nfs/dbraw/zinc/55/93/56/721559356.db2.gz FQVOBVMCFHGYMT-QYZOEREBSA-N 1 1 416.909 2.785 20 0 HFADMO CCOC(=O)c1c(C)ccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164809853 721568932 /nfs/dbraw/zinc/56/89/32/721568932.db2.gz XONQGZANYRFMGF-DYXWJJEUSA-N 1 1 410.518 2.830 20 0 HFADMO CCOC(=O)c1c(C)ccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164809853 721568936 /nfs/dbraw/zinc/56/89/36/721568936.db2.gz XONQGZANYRFMGF-DYXWJJEUSA-N 1 1 410.518 2.830 20 0 HFADMO CCOCc1cnc(Cl)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164809354 721572461 /nfs/dbraw/zinc/57/24/61/721572461.db2.gz WNAMEVSBJNQCCC-CEXWTWQISA-N 1 1 417.941 2.930 20 0 HFADMO CCOCc1cnc(Cl)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164809354 721572464 /nfs/dbraw/zinc/57/24/64/721572464.db2.gz WNAMEVSBJNQCCC-CEXWTWQISA-N 1 1 417.941 2.930 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nccnc2Cl)[C@H]2CCCO[C@H]12 ZINC001164805440 721572931 /nfs/dbraw/zinc/57/29/31/721572931.db2.gz NXNFRDZBDOGZPG-XHSDSOJGSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nccnc2Cl)[C@H]2CCCO[C@H]12 ZINC001164805440 721572934 /nfs/dbraw/zinc/57/29/34/721572934.db2.gz NXNFRDZBDOGZPG-XHSDSOJGSA-N 1 1 409.868 2.938 20 0 HFADMO COc1nnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c2ccccc21 ZINC001164805808 721576892 /nfs/dbraw/zinc/57/68/92/721576892.db2.gz OXWCSXGMOKJACE-HKBOAZHASA-N 1 1 405.502 2.902 20 0 HFADMO COc1nnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c2ccccc21 ZINC001164805808 721576893 /nfs/dbraw/zinc/57/68/93/721576893.db2.gz OXWCSXGMOKJACE-HKBOAZHASA-N 1 1 405.502 2.902 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C(N)=O)cc3ccccc32)[C@@H]2CCCO[C@H]12 ZINC001164807640 721582159 /nfs/dbraw/zinc/58/21/59/721582159.db2.gz PBHQSNZHGYZQGL-VSKRKVRLSA-N 1 1 417.513 2.597 20 0 HFADMO C[C@@H]1CCCN(c2cc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)ncn2)C1 ZINC001164800181 721585105 /nfs/dbraw/zinc/58/51/05/721585105.db2.gz CILIGHKGDJQGPA-ZGDJDIHISA-N 1 1 422.577 2.976 20 0 HFADMO C[C@@H]1C(=O)Nc2ncnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c21 ZINC001164905689 721709171 /nfs/dbraw/zinc/70/91/71/721709171.db2.gz IJXWJGHLAAVYNG-XOBRGWDASA-N 1 1 414.460 2.665 20 0 HFADMO CCOC(=O)c1nccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912605 721728556 /nfs/dbraw/zinc/72/85/56/721728556.db2.gz OMXYQINAKQNRLH-HXUWFJFHSA-N 1 1 417.460 2.786 20 0 HFADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cc(Cl)nc(Cl)n2)CC1 ZINC001165007360 721730855 /nfs/dbraw/zinc/73/08/55/721730855.db2.gz BREGIWWZCDZMNO-UHFFFAOYSA-N 1 1 422.307 2.851 20 0 HFADMO CCOC(=O)Cc1ccc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nn1 ZINC001164909553 721758101 /nfs/dbraw/zinc/75/81/01/721758101.db2.gz HQXHLULMBQZNRO-UHFFFAOYSA-N 1 1 421.501 2.765 20 0 HFADMO CCOC(=O)Cc1ccc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nn1 ZINC001164909553 721758105 /nfs/dbraw/zinc/75/81/05/721758105.db2.gz HQXHLULMBQZNRO-UHFFFAOYSA-N 1 1 421.501 2.765 20 0 HFADMO C[N@@H+](Cc1ccc(N2CCO[C@H]3[C@H]2CC[C@@H]3OCCCn2cccn2)nc1)C1CC1 ZINC001165022494 721782137 /nfs/dbraw/zinc/78/21/37/721782137.db2.gz RQCJSAUWLKHLTE-GIWBLDEGSA-N 1 1 411.550 2.715 20 0 HFADMO CCc1cc2c(ccnc2N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)o1 ZINC001164913258 721800543 /nfs/dbraw/zinc/80/05/43/721800543.db2.gz CHAVAVQHSFBXRN-HSZRJFAPSA-N 1 1 408.502 2.893 20 0 HFADMO CCc1cc2c(ccnc2N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)o1 ZINC001164913258 721800544 /nfs/dbraw/zinc/80/05/44/721800544.db2.gz CHAVAVQHSFBXRN-HSZRJFAPSA-N 1 1 408.502 2.893 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914215 721801362 /nfs/dbraw/zinc/80/13/62/721801362.db2.gz KUGNPMJFDMUUOO-JOCHJYFZSA-N 1 1 416.953 2.969 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914215 721801363 /nfs/dbraw/zinc/80/13/63/721801363.db2.gz KUGNPMJFDMUUOO-JOCHJYFZSA-N 1 1 416.953 2.969 20 0 HFADMO CON(C)C(=O)c1cccnc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025315 721819384 /nfs/dbraw/zinc/81/93/84/721819384.db2.gz MHZIMMXQYSBJRN-DZFGPLHGSA-N 1 1 409.534 2.847 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3NC(=O)CS4)C[C@@H]21 ZINC001165023127 721831272 /nfs/dbraw/zinc/83/12/72/721831272.db2.gz HUEYGHXEVXYRLV-BHYGNILZSA-N 1 1 410.547 2.653 20 0 HFADMO COc1cccc(OC)c1CN1CCC(N(C)c2ncc(C)c(C3C[NH2+]C3)n2)CC1 ZINC001165031156 721845370 /nfs/dbraw/zinc/84/53/70/721845370.db2.gz VMYNBNZDRCTAAK-UHFFFAOYSA-N 1 1 411.550 2.590 20 0 HFADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1cc(C(=O)N2CCCCC2)cc(Cl)n1 ZINC001164923602 721853761 /nfs/dbraw/zinc/85/37/61/721853761.db2.gz AXLJZKGWQBLEHG-ZWKOTPCHSA-N 1 1 405.974 2.576 20 0 HFADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1cc(C(=O)N2CCCCC2)cc(Cl)n1 ZINC001164923602 721853763 /nfs/dbraw/zinc/85/37/63/721853763.db2.gz AXLJZKGWQBLEHG-ZWKOTPCHSA-N 1 1 405.974 2.576 20 0 HFADMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc2c(Cl)nc(Cl)nc21 ZINC001164925711 721855696 /nfs/dbraw/zinc/85/56/96/721855696.db2.gz FQKWBKYAHLJGHN-ZJUUUORDSA-N 1 1 416.744 2.595 20 0 HFADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc2c(Cl)nc(Cl)nc21 ZINC001164925711 721855697 /nfs/dbraw/zinc/85/56/97/721855697.db2.gz FQKWBKYAHLJGHN-ZJUUUORDSA-N 1 1 416.744 2.595 20 0 HFADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cncc(-n5ccnc5)n4)CC3)C2)cc1 ZINC001164938721 721928827 /nfs/dbraw/zinc/92/88/27/721928827.db2.gz FPDSETKMTHOXPB-UHFFFAOYSA-N 1 1 404.518 2.842 20 0 HFADMO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165044007 721958462 /nfs/dbraw/zinc/95/84/62/721958462.db2.gz BVQAZRDRKSVURT-UHFFFAOYSA-N 1 1 412.534 2.760 20 0 HFADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nnc(Cl)c3ccoc31)CC2 ZINC001164945776 721976374 /nfs/dbraw/zinc/97/63/74/721976374.db2.gz FVIOGSNXMFFKBC-UHFFFAOYSA-N 1 1 411.893 2.847 20 0 HFADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nnc(Cl)c3ccoc31)CC2 ZINC001164945776 721976379 /nfs/dbraw/zinc/97/63/79/721976379.db2.gz FVIOGSNXMFFKBC-UHFFFAOYSA-N 1 1 411.893 2.847 20 0 HFADMO CCOC(=O)c1ccnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001164959537 722053135 /nfs/dbraw/zinc/05/31/35/722053135.db2.gz MLYKYSSVDHQQNV-UHFFFAOYSA-N 1 1 410.518 2.772 20 0 HFADMO c1c[nH]c(-c2ccnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2)n1 ZINC001164960706 722058112 /nfs/dbraw/zinc/05/81/12/722058112.db2.gz IMWYNDBODMTSNA-UHFFFAOYSA-N 1 1 404.518 2.986 20 0 HFADMO O=C(c1cc(Cl)nc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c1)N1CCCCC1 ZINC001164966221 722068877 /nfs/dbraw/zinc/06/88/77/722068877.db2.gz ZDCOGTHOUHSBRD-HDICACEKSA-N 1 1 404.942 2.661 20 0 HFADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967108 722070902 /nfs/dbraw/zinc/07/09/02/722070902.db2.gz ILGIKRBDURHTOZ-IYBDPMFKSA-N 1 1 414.531 2.681 20 0 HFADMO Cc1cc(N2CCCC2)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981583 722099150 /nfs/dbraw/zinc/09/91/50/722099150.db2.gz LTHSWMALDKLMKV-NHCUHLMSSA-N 1 1 408.550 2.508 20 0 HFADMO Cc1cc(N2CCCC2)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981583 722099152 /nfs/dbraw/zinc/09/91/52/722099152.db2.gz LTHSWMALDKLMKV-NHCUHLMSSA-N 1 1 408.550 2.508 20 0 HFADMO COC(=O)c1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1Cl ZINC001164983996 722103177 /nfs/dbraw/zinc/10/31/77/722103177.db2.gz RLEWALPZTFCVOP-VQIMIIECSA-N 1 1 416.909 2.644 20 0 HFADMO Clc1nnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c2cnccc12 ZINC001164984363 722104219 /nfs/dbraw/zinc/10/42/19/722104219.db2.gz SUPKHEPUYFXPMQ-APWZRJJASA-N 1 1 410.909 2.801 20 0 HFADMO CC1(C)OC(=O)c2c1ccnc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981156 722111684 /nfs/dbraw/zinc/11/16/84/722111684.db2.gz TXIJHIOKGMIJKR-PKOBYXMFSA-N 1 1 408.502 2.609 20 0 HFADMO CC(C)(C)NC(=O)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164983118 722119182 /nfs/dbraw/zinc/11/91/82/722119182.db2.gz YIDFMNLLMZFBOS-LEWJYISDSA-N 1 1 423.561 2.732 20 0 HFADMO CCOc1c(Cl)ncnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981778 722123498 /nfs/dbraw/zinc/12/34/98/722123498.db2.gz VEHGVNZPKHSSCY-IAGOWNOFSA-N 1 1 403.914 2.651 20 0 HFADMO COC(=O)c1ccc(Cl)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164974886 722123678 /nfs/dbraw/zinc/12/36/78/722123678.db2.gz ITWBOZIIDIIWSB-APWZRJJASA-N 1 1 416.909 2.644 20 0 HFADMO CCOC(=O)c1c(C)cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1C ZINC001164971462 722125516 /nfs/dbraw/zinc/12/55/16/722125516.db2.gz COLHISKXBJMJKG-NHCUHLMSSA-N 1 1 424.545 2.997 20 0 HFADMO CC(C)(C)NC(=O)c1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164980280 722132070 /nfs/dbraw/zinc/13/20/70/722132070.db2.gz MKSSRESKEJDJQH-LEWJYISDSA-N 1 1 423.561 2.732 20 0 HFADMO CC(C)(C)NC(=O)c1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164980281 722132543 /nfs/dbraw/zinc/13/25/43/722132543.db2.gz MKSSRESKEJDJQH-NHCUHLMSSA-N 1 1 423.561 2.732 20 0 HFADMO COC(OC)c1cc(C)cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980938 722134235 /nfs/dbraw/zinc/13/42/35/722134235.db2.gz NXSMBARUSYGQNQ-CTNGQTDRSA-N 1 1 412.534 2.804 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4cncc(N5CCCCCC5)n4)CC[C@@H]3C2)c1 ZINC001164977088 722149488 /nfs/dbraw/zinc/14/94/88/722149488.db2.gz IRLHXPLUGVWHGZ-FGZHOGPDSA-N 1 1 422.577 2.979 20 0 HFADMO CC(C)OC(=O)c1cccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977151 722153388 /nfs/dbraw/zinc/15/33/88/722153388.db2.gz XRTGQIHJQWGCOW-TZIWHRDSSA-N 1 1 410.518 2.769 20 0 HFADMO [O-][n+]1ccc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cc1Cl ZINC001164976213 722156883 /nfs/dbraw/zinc/15/68/83/722156883.db2.gz UZTNZMUTTUAHGS-AEFFLSMTSA-N 1 1 424.879 2.641 20 0 HFADMO C[NH+]1CCN(c2nccc(N3CCC[C@]4(C[C@@H](OCC5CCCC5)CO4)C3)n2)CC1 ZINC001164979105 722166005 /nfs/dbraw/zinc/16/60/05/722166005.db2.gz UHAFISBBOILDMU-OFNKIYASSA-N 1 1 415.582 2.563 20 0 HFADMO Cc1nc(CN2CCO[C@@H]3CCN(c4nc(N5CCCC5)cc[nH+]4)CC[C@H]32)cs1 ZINC001164985634 722173396 /nfs/dbraw/zinc/17/33/96/722173396.db2.gz IEDVEGIDCCOHCX-RTBURBONSA-N 1 1 414.579 2.712 20 0 HFADMO CN1CCN(c2ccc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nn2)CC1 ZINC001164995028 722193213 /nfs/dbraw/zinc/19/32/13/722193213.db2.gz RLEGEVBLKDKBQN-QHCPKHFHSA-N 1 1 410.541 2.612 20 0 HFADMO CN1CCN(c2ccc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nn2)CC1 ZINC001164995028 722193215 /nfs/dbraw/zinc/19/32/15/722193215.db2.gz RLEGEVBLKDKBQN-QHCPKHFHSA-N 1 1 410.541 2.612 20 0 HFADMO Cn1cccc1C(=O)N1CCO[C@@H]2C[N@@H+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]2C1 ZINC001165004446 722245035 /nfs/dbraw/zinc/24/50/35/722245035.db2.gz OXHZXQDGUHDAKD-MAUKXSAKSA-N 1 1 402.926 2.782 20 0 HFADMO Cn1cccc1C(=O)N1CCO[C@@H]2C[N@H+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]2C1 ZINC001165004446 722245037 /nfs/dbraw/zinc/24/50/37/722245037.db2.gz OXHZXQDGUHDAKD-MAUKXSAKSA-N 1 1 402.926 2.782 20 0 HFADMO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1Br ZINC000793012526 1078048363 /nfs/dbraw/zinc/04/83/63/1078048363.db2.gz YLAWLCMFEJNEBT-UKRRQHHQSA-N 1 1 421.339 2.566 20 0 HFADMO Cc1ccc(NC(=O)[C@@H]2CC(c3cccnc3)=NO2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000790521480 1078050175 /nfs/dbraw/zinc/05/01/75/1078050175.db2.gz ZQYYYOCMVDSWIJ-NRFANRHFSA-N 1 1 421.501 2.946 20 0 HFADMO C[C@@]1(c2ccc(C[NH2+]Cc3cnn(Cc4ccccc4)c3Cl)cc2)NC(=O)NC1=O ZINC000790533469 1078052754 /nfs/dbraw/zinc/05/27/54/1078052754.db2.gz OGVXPJLXBYPNJI-QFIPXVFZSA-N 1 1 423.904 2.929 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1[nH]nc2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000790574042 1078058399 /nfs/dbraw/zinc/05/83/99/1078058399.db2.gz ANJMCJNALHEZMK-MRXNPFEDSA-N 1 1 405.543 2.553 20 0 HFADMO Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3c[nH+]c4n3CCCC4)cc2)nc1 ZINC000793107743 1078079818 /nfs/dbraw/zinc/07/98/18/1078079818.db2.gz ABXLFKQDGQCXFX-UHFFFAOYSA-N 1 1 405.458 2.970 20 0 HFADMO C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(N3CCCC3)c(F)c2)C[C@H]1Cc1ccccc1 ZINC000793109669 1078081419 /nfs/dbraw/zinc/08/14/19/1078081419.db2.gz XHSDGTRNLBNZHJ-HXUWFJFHSA-N 1 1 424.520 2.750 20 0 HFADMO C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(N3CCCC3)c(F)c2)C[C@H]1Cc1ccccc1 ZINC000793109669 1078081425 /nfs/dbraw/zinc/08/14/25/1078081425.db2.gz XHSDGTRNLBNZHJ-HXUWFJFHSA-N 1 1 424.520 2.750 20 0 HFADMO CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)NCC[N@@H+]3CC=CCC3)cc2C1 ZINC000793166572 1078086556 /nfs/dbraw/zinc/08/65/56/1078086556.db2.gz CQIXORUKTVSXQY-UHFFFAOYSA-N 1 1 400.523 2.998 20 0 HFADMO O=C(NCC[NH+]1Cc2ccccc2C1)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000747103497 1078087092 /nfs/dbraw/zinc/08/70/92/1078087092.db2.gz HTQVIPBYJLRVJB-SFHVURJKSA-N 1 1 409.408 2.934 20 0 HFADMO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)c2ccc(-c3nnc[nH]3)cc2)cc1 ZINC000793157174 1078092632 /nfs/dbraw/zinc/09/26/32/1078092632.db2.gz OSFDUNOKVWICHH-UHFFFAOYSA-N 1 1 407.474 2.763 20 0 HFADMO COCC1(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCN(C(=O)OC(C)(C)C)CC1 ZINC000790710749 1078103753 /nfs/dbraw/zinc/10/37/53/1078103753.db2.gz XVCKEVUSHGAJLV-MSOLQXFVSA-N 1 1 424.586 2.576 20 0 HFADMO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cc(Br)ncc1F ZINC000790756186 1078111718 /nfs/dbraw/zinc/11/17/18/1078111718.db2.gz DPUJSTVLFONKNL-NSHDSACASA-N 1 1 417.300 2.600 20 0 HFADMO CN1c2ccc(C[NH2+][C@H](C(N)=O)c3cccc(Br)c3)cc2CCC1=O ZINC000793264561 1078113357 /nfs/dbraw/zinc/11/33/57/1078113357.db2.gz BDISTEFUJBSGID-SFHVURJKSA-N 1 1 402.292 2.674 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[N@H+](CCOC(=O)c2ccc(-c3nc[nH]n3)cc2)CC1 ZINC000793279373 1078126686 /nfs/dbraw/zinc/12/66/86/1078126686.db2.gz WHXBAOZYAILMOC-UHFFFAOYSA-N 1 1 415.494 2.571 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[N@@H+](CCOC(=O)c2ccc(-c3nc[nH]n3)cc2)CC1 ZINC000793279373 1078126690 /nfs/dbraw/zinc/12/66/90/1078126690.db2.gz WHXBAOZYAILMOC-UHFFFAOYSA-N 1 1 415.494 2.571 20 0 HFADMO CCOC(=O)c1nn(C)cc1C[N@@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000793300603 1078122181 /nfs/dbraw/zinc/12/21/81/1078122181.db2.gz YWHAKTFFKKXKPO-GOSISDBHSA-N 1 1 414.506 2.735 20 0 HFADMO CCOC(=O)c1nn(C)cc1C[N@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000793300603 1078122188 /nfs/dbraw/zinc/12/21/88/1078122188.db2.gz YWHAKTFFKKXKPO-GOSISDBHSA-N 1 1 414.506 2.735 20 0 HFADMO COCC1(CNC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000790814306 1078127752 /nfs/dbraw/zinc/12/77/52/1078127752.db2.gz PYARHHUHIHYHSX-QGZVFWFLSA-N 1 1 424.586 2.600 20 0 HFADMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)C1 ZINC000790782560 1078132973 /nfs/dbraw/zinc/13/29/73/1078132973.db2.gz ZSOWRUMOQIBODS-BZSNNMDCSA-N 1 1 414.566 2.953 20 0 HFADMO Brc1nc(Br)n(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000772831220 1078137646 /nfs/dbraw/zinc/13/76/46/1078137646.db2.gz ZLQUCENMIAALLC-CMPLNLGQSA-N 1 1 419.165 2.709 20 0 HFADMO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cnc(Br)c(Cl)c1 ZINC000790850362 1078148280 /nfs/dbraw/zinc/14/82/80/1078148280.db2.gz JXGIHZJYVZHOOJ-ZIAGYGMSSA-N 1 1 402.720 2.871 20 0 HFADMO CN(C(=O)C(F)(F)C1CCOCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000790819324 1078154483 /nfs/dbraw/zinc/15/44/83/1078154483.db2.gz XCYRKVGPOUJMMW-MOPGFXCFSA-N 1 1 401.542 2.844 20 0 HFADMO CN(C(=O)C(F)(F)C1CCOCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000790819327 1078154506 /nfs/dbraw/zinc/15/45/06/1078154506.db2.gz XCYRKVGPOUJMMW-RBUKOAKNSA-N 1 1 401.542 2.844 20 0 HFADMO COc1ccc([C@@H]2C[C@H]2NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000793383806 1078161513 /nfs/dbraw/zinc/16/15/13/1078161513.db2.gz JXIBMAKYEHRULL-CWKRKGSWSA-N 1 1 409.530 2.733 20 0 HFADMO COc1ccc([C@@H]2C[C@H]2NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000793383808 1078161719 /nfs/dbraw/zinc/16/17/19/1078161719.db2.gz JXIBMAKYEHRULL-PNJWGLBASA-N 1 1 409.530 2.733 20 0 HFADMO C[C@H]1C[C@@H](C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CCN1C(=O)OC(C)(C)C ZINC000793461497 1078179698 /nfs/dbraw/zinc/17/96/98/1078179698.db2.gz MSANYENRZRTWBS-SLFFLAALSA-N 1 1 422.614 2.651 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000793456670 1078192408 /nfs/dbraw/zinc/19/24/08/1078192408.db2.gz AENDZOGGHFHJGU-INIZCTEOSA-N 1 1 416.526 2.600 20 0 HFADMO O=C1[C@H](CCc2ccccc2)CCN1C[N@@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000793510348 1078194833 /nfs/dbraw/zinc/19/48/33/1078194833.db2.gz AOYWEZIPWZVIJA-NHCUHLMSSA-N 1 1 418.541 2.958 20 0 HFADMO O=C1[C@H](CCc2ccccc2)CCN1C[N@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000793510348 1078194837 /nfs/dbraw/zinc/19/48/37/1078194837.db2.gz AOYWEZIPWZVIJA-NHCUHLMSSA-N 1 1 418.541 2.958 20 0 HFADMO C[C@@H](NC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C)C1([NH+]2CCOCC2)CCCC1 ZINC000793575982 1078212939 /nfs/dbraw/zinc/21/29/39/1078212939.db2.gz WXNBLPNMOUOMCB-IAGOWNOFSA-N 1 1 409.571 2.782 20 0 HFADMO COC(=O)c1ccc(C[NH2+]Cc2ccc(-n3cncn3)nc2)c(Br)c1 ZINC000793584793 1078215216 /nfs/dbraw/zinc/21/52/16/1078215216.db2.gz RVEIQCYAXYNVTF-UHFFFAOYSA-N 1 1 402.252 2.501 20 0 HFADMO COC(=O)c1ccc(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)c(Br)c1 ZINC000793586293 1078215294 /nfs/dbraw/zinc/21/52/94/1078215294.db2.gz HUTYETHCKMXVBU-INIZCTEOSA-N 1 1 408.296 2.904 20 0 HFADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C2(COC)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000793587142 1078215666 /nfs/dbraw/zinc/21/56/66/1078215666.db2.gz WOQQTZNPLPKKQA-GOSISDBHSA-N 1 1 411.587 2.840 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cn2c3cc(C)nn3c3ccccc3c2=O)C1 ZINC000793589523 1078217074 /nfs/dbraw/zinc/21/70/74/1078217074.db2.gz HPKQYSHHOSTEOA-DEOSSOPVSA-N 1 1 416.481 2.732 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cn2c3cc(C)nn3c3ccccc3c2=O)C1 ZINC000793589523 1078217077 /nfs/dbraw/zinc/21/70/77/1078217077.db2.gz HPKQYSHHOSTEOA-DEOSSOPVSA-N 1 1 416.481 2.732 20 0 HFADMO C[N@@H+]1CCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604142 1078221575 /nfs/dbraw/zinc/22/15/75/1078221575.db2.gz OOVNIUMXXBGQSR-CTNGQTDRSA-N 1 1 419.566 2.885 20 0 HFADMO C[N@H+]1CCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604142 1078221578 /nfs/dbraw/zinc/22/15/78/1078221578.db2.gz OOVNIUMXXBGQSR-CTNGQTDRSA-N 1 1 419.566 2.885 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](Cc3cnc(N4CCOCC4)s3)C2)C1 ZINC000793604701 1078222594 /nfs/dbraw/zinc/22/25/94/1078222594.db2.gz MBWNIIJQKLTLPD-FQEVSTJZSA-N 1 1 408.568 2.813 20 0 HFADMO COc1cc2c(c(CN3CC[N@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)c1)O[C@@H](C)C2 ZINC000793604557 1078222825 /nfs/dbraw/zinc/22/28/25/1078222825.db2.gz RHMAZCKYRXMEEL-MAUKXSAKSA-N 1 1 405.539 2.659 20 0 HFADMO COc1cc2c(c(CN3CC[N@@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)c1)O[C@@H](C)C2 ZINC000793604557 1078222831 /nfs/dbraw/zinc/22/28/31/1078222831.db2.gz RHMAZCKYRXMEEL-MAUKXSAKSA-N 1 1 405.539 2.659 20 0 HFADMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)NCc1ccc([C@@H](C)O)cc1 ZINC000793629674 1078233237 /nfs/dbraw/zinc/23/32/37/1078233237.db2.gz JOXXPOARPDUSQU-XMSQKQJNSA-N 1 1 411.546 2.629 20 0 HFADMO C[C@@H](O)c1ccc(CNC(=O)C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000793630322 1078233252 /nfs/dbraw/zinc/23/32/52/1078233252.db2.gz KPTSCQHJSCIJTB-RTBURBONSA-N 1 1 415.578 2.859 20 0 HFADMO C[C@H](O)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000793648280 1078241052 /nfs/dbraw/zinc/24/10/52/1078241052.db2.gz FYPUZFOJBCTAIZ-SPEDKVCISA-N 1 1 409.530 2.525 20 0 HFADMO COC(=O)[C@@]1(NC(=O)c2ccc3nc(C)n(C)c3c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000793634906 1078235747 /nfs/dbraw/zinc/23/57/47/1078235747.db2.gz LOFWCLIPLQMNTB-XMMPIXPASA-N 1 1 420.513 2.819 20 0 HFADMO COCC1(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793642919 1078239348 /nfs/dbraw/zinc/23/93/48/1078239348.db2.gz KQZNGJGBMOFDLA-GOSISDBHSA-N 1 1 411.587 2.744 20 0 HFADMO Cn1cc([C@@H]2N(C[N@@H+]3CC[C@@H]4[C@@H](CCN4C(=O)OC(C)(C)C)C3)C(=O)C2(C)C)cn1 ZINC000793720348 1078264578 /nfs/dbraw/zinc/26/45/78/1078264578.db2.gz HPTIVERCUYGZAW-JQHSSLGASA-N 1 1 417.554 2.618 20 0 HFADMO Cn1cc([C@@H]2N(C[N@H+]3CC[C@@H]4[C@@H](CCN4C(=O)OC(C)(C)C)C3)C(=O)C2(C)C)cn1 ZINC000793720348 1078264581 /nfs/dbraw/zinc/26/45/81/1078264581.db2.gz HPTIVERCUYGZAW-JQHSSLGASA-N 1 1 417.554 2.618 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793692777 1078270011 /nfs/dbraw/zinc/27/00/11/1078270011.db2.gz DTKSTBUAOKSVMI-SFHLNBCPSA-N 1 1 409.530 2.597 20 0 HFADMO C[C@@H](COc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000793694513 1078271549 /nfs/dbraw/zinc/27/15/49/1078271549.db2.gz MDZDQAJCXMQZKJ-SIKLNZKXSA-N 1 1 423.557 2.987 20 0 HFADMO Cc1ccc(CCNC(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000793759809 1078280228 /nfs/dbraw/zinc/28/02/28/1078280228.db2.gz DIVJYGYOAJSHBP-VWLOTQADSA-N 1 1 407.558 2.991 20 0 HFADMO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@@H+]2CCOC[C@H](C3CCC3)C2)C1=O ZINC000793739892 1078286841 /nfs/dbraw/zinc/28/68/41/1078286841.db2.gz AKAGZFJAPUKPCS-VGOFRKELSA-N 1 1 401.507 2.558 20 0 HFADMO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@H+]2CCOC[C@H](C3CCC3)C2)C1=O ZINC000793739892 1078286842 /nfs/dbraw/zinc/28/68/42/1078286842.db2.gz AKAGZFJAPUKPCS-VGOFRKELSA-N 1 1 401.507 2.558 20 0 HFADMO C[N@H+]1CC[C@]2(CCN(Cn3nc(N4CCCCC4)n(C[C@H]4CCCO4)c3=S)C2)C1 ZINC000793747404 1078289326 /nfs/dbraw/zinc/28/93/26/1078289326.db2.gz QXIOVMWBTDZOSG-NQIIRXRSSA-N 1 1 420.627 2.568 20 0 HFADMO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000793799997 1078302503 /nfs/dbraw/zinc/30/25/03/1078302503.db2.gz AQBHYYHSVXFWSD-RBUKOAKNSA-N 1 1 417.550 2.515 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000793804551 1078303889 /nfs/dbraw/zinc/30/38/89/1078303889.db2.gz DPZZHLKRHYGNAV-LJQANCHMSA-N 1 1 403.486 2.731 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NCC(C)(C)c1ccccc1C ZINC000793804800 1078304732 /nfs/dbraw/zinc/30/47/32/1078304732.db2.gz FKECDWCOKARWFZ-UHFFFAOYSA-N 1 1 405.502 2.594 20 0 HFADMO C[N@H+]1CC[C@@]2(CCN(CN3C(=O)N[C@@](Cc4ccccc4)(c4ccccc4)C3=O)C2)C1 ZINC000793771043 1078307101 /nfs/dbraw/zinc/30/71/01/1078307101.db2.gz ZVCWELJOFMXTGY-RPBOFIJWSA-N 1 1 418.541 2.662 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000793776570 1078308942 /nfs/dbraw/zinc/30/89/42/1078308942.db2.gz CIEIZGXTLLEXMF-HBMCJLEFSA-N 1 1 415.578 2.992 20 0 HFADMO CC(C)C[N@H+]1CCO[C@H](COC(=O)c2ccccc2SCC(=O)N2CCCC2)C1 ZINC000793840915 1078311916 /nfs/dbraw/zinc/31/19/16/1078311916.db2.gz JWBLRAAFEATJBL-SFHVURJKSA-N 1 1 420.575 2.915 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000793845345 1078312743 /nfs/dbraw/zinc/31/27/43/1078312743.db2.gz ZGBROVXHMKNLQV-GOSISDBHSA-N 1 1 414.937 2.688 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000793845303 1078312959 /nfs/dbraw/zinc/31/29/59/1078312959.db2.gz YSKXIOOVBKUGKI-NRFANRHFSA-N 1 1 422.573 2.787 20 0 HFADMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000793832377 1078320620 /nfs/dbraw/zinc/32/06/20/1078320620.db2.gz ZHUWLRWVKIYDIO-SLFFLAALSA-N 1 1 410.518 2.567 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000793878691 1078322100 /nfs/dbraw/zinc/32/21/00/1078322100.db2.gz JDUFTRNCKGNFCZ-UHFFFAOYSA-N 1 1 415.444 2.625 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000793882492 1078322531 /nfs/dbraw/zinc/32/25/31/1078322531.db2.gz BRUUKXVSKVQQSZ-MRXNPFEDSA-N 1 1 416.526 2.742 20 0 HFADMO CC[N@H+]1CCCN(C(=O)C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000793872164 1078329812 /nfs/dbraw/zinc/32/98/12/1078329812.db2.gz RNHYDEOYHMYBBW-UHFFFAOYSA-N 1 1 414.594 2.623 20 0 HFADMO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)CCC2 ZINC000793910386 1078335464 /nfs/dbraw/zinc/33/54/64/1078335464.db2.gz JRGJJQAPHXAYKP-WMZOPIPTSA-N 1 1 403.571 2.584 20 0 HFADMO COCN1C(=O)CCc2cc(NC(=O)[C@H](c3ccccc3)[NH+]3CCC(O)CC3)ccc21 ZINC000793910390 1078335534 /nfs/dbraw/zinc/33/55/34/1078335534.db2.gz NGLACJNZYFQIGC-QHCPKHFHSA-N 1 1 423.513 2.706 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@H]2C[C@@H](C(=O)NCc3ccco3)[C@@H](C1)O2 ZINC001170439874 1078340609 /nfs/dbraw/zinc/34/06/09/1078340609.db2.gz BKXLQRHSFPIMQY-WGQQHEPDSA-N 1 1 412.486 2.735 20 0 HFADMO CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000793899626 1078343567 /nfs/dbraw/zinc/34/35/67/1078343567.db2.gz BGYCTIQLMWZGDP-LQWHRVPQSA-N 1 1 421.557 2.580 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000793968078 1078349100 /nfs/dbraw/zinc/34/91/00/1078349100.db2.gz HWBHJSGMSTVJDI-UHFFFAOYSA-N 1 1 413.909 3.000 20 0 HFADMO Cn1cc[nH+]c1N1CCC(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000793946634 1078354442 /nfs/dbraw/zinc/35/44/42/1078354442.db2.gz KSCFISLTARBQLV-GOSISDBHSA-N 1 1 413.522 2.771 20 0 HFADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C ZINC000793945082 1078354497 /nfs/dbraw/zinc/35/44/97/1078354497.db2.gz BVNKTITWSBZFDQ-NLWGTHIKSA-N 1 1 407.599 2.667 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H](NC(=O)c2ccsc2)[C@H]2COC[C@H]21 ZINC001170441404 1078360535 /nfs/dbraw/zinc/36/05/35/1078360535.db2.gz HJKQVAIWUQYRCB-NCXUSEDFSA-N 1 1 414.527 2.927 20 0 HFADMO O=C(NC[C@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1)OCc1ccccc1 ZINC000794036846 1078363501 /nfs/dbraw/zinc/36/35/01/1078363501.db2.gz GENBTPFOJDHLIZ-OAQYLSRUSA-N 1 1 417.550 2.654 20 0 HFADMO C[N@@H+](CC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)[C@@H]1CCSC1 ZINC000794047644 1078365584 /nfs/dbraw/zinc/36/55/84/1078365584.db2.gz KSCCIMUAQBYYSA-RTBURBONSA-N 1 1 405.564 2.589 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC001170442403 1078367820 /nfs/dbraw/zinc/36/78/20/1078367820.db2.gz MFVUBTQVYYMUAH-FDDCHVKYSA-N 1 1 424.497 2.721 20 0 HFADMO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000794117933 1078374489 /nfs/dbraw/zinc/37/44/89/1078374489.db2.gz FWXIRCHHPMZIKA-FQEVSTJZSA-N 1 1 412.534 2.982 20 0 HFADMO Cc1ccccc1CN1CCCN(C(=O)C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)CC1 ZINC001170443794 1078380984 /nfs/dbraw/zinc/38/09/84/1078380984.db2.gz TWEWKGKIFWXJKB-ISKFKSNPSA-N 1 1 403.611 2.908 20 0 HFADMO C[C@H](C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000794276028 1078398520 /nfs/dbraw/zinc/39/85/20/1078398520.db2.gz SPMWVEPKZWQTCL-QUCCMNQESA-N 1 1 418.582 2.785 20 0 HFADMO CCc1nc(C)c(C[N@H+]2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)o1 ZINC000794292881 1078402518 /nfs/dbraw/zinc/40/25/18/1078402518.db2.gz KOFXUKXJSPBTAE-KRWDZBQOSA-N 1 1 420.554 2.837 20 0 HFADMO CCCc1nc(C)c(C[N@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)o1 ZINC000794319440 1078412787 /nfs/dbraw/zinc/41/27/87/1078412787.db2.gz HHRNWQLWZPSEGN-INIZCTEOSA-N 1 1 408.543 2.788 20 0 HFADMO CCN1CCN(C(=O)CCCCCCCC(=O)N2CC[N@H+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC000804380465 1078440545 /nfs/dbraw/zinc/44/05/45/1078440545.db2.gz VVAFATHTHAVCSN-SFTDATJTSA-N 1 1 408.631 2.822 20 0 HFADMO CCN1CCN(C(=O)CCCCCCCC(=O)N2CC[N@@H+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC000804380465 1078440547 /nfs/dbraw/zinc/44/05/47/1078440547.db2.gz VVAFATHTHAVCSN-SFTDATJTSA-N 1 1 408.631 2.822 20 0 HFADMO CC[N@@H+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)[C@H](C)C1 ZINC000804379393 1078439516 /nfs/dbraw/zinc/43/95/16/1078439516.db2.gz LPQRRPKCEKAVIV-OAHLLOKOSA-N 1 1 413.971 2.681 20 0 HFADMO CC[N@H+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)[C@H](C)C1 ZINC000804379393 1078439519 /nfs/dbraw/zinc/43/95/19/1078439519.db2.gz LPQRRPKCEKAVIV-OAHLLOKOSA-N 1 1 413.971 2.681 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000804418908 1078468923 /nfs/dbraw/zinc/46/89/23/1078468923.db2.gz ZGTPOBJKUNAYOX-UXHICEINSA-N 1 1 421.969 2.603 20 0 HFADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)C1 ZINC001129800545 1078476966 /nfs/dbraw/zinc/47/69/66/1078476966.db2.gz PLDOIIWLFVOUMN-WAOWUJCRSA-N 1 1 405.539 2.657 20 0 HFADMO NC(=O)c1ccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(OCC(F)F)c1 ZINC001129481760 1078482039 /nfs/dbraw/zinc/48/20/39/1078482039.db2.gz VIQQVWWBMBKKEM-INIZCTEOSA-N 1 1 403.429 2.890 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCCC[C@@H]3COC(=O)N(C)C)cc2)C[C@H](C)O1 ZINC000804658005 1078492278 /nfs/dbraw/zinc/49/22/78/1078492278.db2.gz MGQOEQGDLZYPKJ-LVCYWYKZSA-N 1 1 417.550 2.989 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCCC[C@@H]3COC(=O)N(C)C)cc2)C[C@H](C)O1 ZINC000804658005 1078492280 /nfs/dbraw/zinc/49/22/80/1078492280.db2.gz MGQOEQGDLZYPKJ-LVCYWYKZSA-N 1 1 417.550 2.989 20 0 HFADMO C[C@@H](NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(=O)NCCc1ccccc1 ZINC001129503639 1078494860 /nfs/dbraw/zinc/49/48/60/1078494860.db2.gz GEVBGHRDQCLYSP-HSALFYBXSA-N 1 1 423.557 2.773 20 0 HFADMO C[C@@H](NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(=O)NCCc1ccccc1 ZINC001129503639 1078494864 /nfs/dbraw/zinc/49/48/64/1078494864.db2.gz GEVBGHRDQCLYSP-HSALFYBXSA-N 1 1 423.557 2.773 20 0 HFADMO C[N@H+]1CCC[C@H](N2CCN(c3cc(Br)cnc3Br)CC2)C1 ZINC000804461968 1078503397 /nfs/dbraw/zinc/50/33/97/1078503397.db2.gz ZTHLJCKTGZVAHK-ZDUSSCGKSA-N 1 1 418.177 2.823 20 0 HFADMO C[N@H+]1CCC[C@@H](N2CCN(c3cc(Br)cnc3Br)CC2)C1 ZINC000804461967 1078503501 /nfs/dbraw/zinc/50/35/01/1078503501.db2.gz ZTHLJCKTGZVAHK-CYBMUJFWSA-N 1 1 418.177 2.823 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)Cn1cnc(-c2ccccc2)n1 ZINC001129812251 1078510110 /nfs/dbraw/zinc/51/01/10/1078510110.db2.gz ALRGPNJQEYSOFZ-FGZHOGPDSA-N 1 1 419.529 2.598 20 0 HFADMO C[C@@H](Oc1ccc(C=O)cc1)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804447546 1078515200 /nfs/dbraw/zinc/51/52/00/1078515200.db2.gz GCUUHMREMDVYSR-NFBKMPQASA-N 1 1 421.541 2.685 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001129828054 1078522238 /nfs/dbraw/zinc/52/22/38/1078522238.db2.gz FNYITAPDWQUNIR-GAJHUEQPSA-N 1 1 423.513 2.930 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001129828054 1078522246 /nfs/dbraw/zinc/52/22/46/1078522246.db2.gz FNYITAPDWQUNIR-GAJHUEQPSA-N 1 1 423.513 2.930 20 0 HFADMO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(I)c1O ZINC000804525380 1078563349 /nfs/dbraw/zinc/56/33/49/1078563349.db2.gz ARKGGZUFDAZQCC-NEPJUHHUSA-N 1 1 400.260 2.696 20 0 HFADMO Cc1ccc2c(c1)CN(C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)CCO2 ZINC000804528599 1078567432 /nfs/dbraw/zinc/56/74/32/1078567432.db2.gz JGQAZVIXGTXEOO-UHFFFAOYSA-N 1 1 403.523 2.659 20 0 HFADMO COc1ccc(C2N=NC(=S)N2CC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)cc1 ZINC000804531222 1078568801 /nfs/dbraw/zinc/56/88/01/1078568801.db2.gz UJUYRSIRPVRWES-UHFFFAOYSA-N 1 1 423.542 2.585 20 0 HFADMO O=C([C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1)N1CCOCC(F)(F)C1 ZINC001129594334 1078589206 /nfs/dbraw/zinc/58/92/06/1078589206.db2.gz OOLDOOYAZTUSHG-IAGOWNOFSA-N 1 1 407.486 2.853 20 0 HFADMO O=C(N1CCC[C@@H](n2ccnn2)C1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001129933251 1078598488 /nfs/dbraw/zinc/59/84/88/1078598488.db2.gz QZLJJUZQCZGYOH-MJGOQNOKSA-N 1 1 407.440 2.896 20 0 HFADMO CCCCCC[N@@H+](C)CC(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804761516 1078611039 /nfs/dbraw/zinc/61/10/39/1078611039.db2.gz HLCKNHJVHBYKHG-IBGZPJMESA-N 1 1 410.603 2.652 20 0 HFADMO C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H]1C(=O)OC(C)(C)C ZINC001129951286 1078626951 /nfs/dbraw/zinc/62/69/51/1078626951.db2.gz MCULSEIOLHJOEK-RLLQIKCJSA-N 1 1 402.535 2.856 20 0 HFADMO C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H]1C(=O)OC(C)(C)C ZINC001129951286 1078626955 /nfs/dbraw/zinc/62/69/55/1078626955.db2.gz MCULSEIOLHJOEK-RLLQIKCJSA-N 1 1 402.535 2.856 20 0 HFADMO COc1cc(C(C)=O)ccc1OCCCC(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC001129658748 1078619980 /nfs/dbraw/zinc/61/99/80/1078619980.db2.gz MWDTVIJXYLKKAH-UHFFFAOYSA-N 1 1 406.523 2.626 20 0 HFADMO CCc1nnsc1C(=O)OCC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000804795525 1078628935 /nfs/dbraw/zinc/62/89/35/1078628935.db2.gz UDWIEHPWIDXGGU-UHFFFAOYSA-N 1 1 424.526 2.755 20 0 HFADMO Cc1noc(-c2ccc(N3CCN([C@H]4CC[N@@H+](Cc5ccccc5)C4)CC3)nc2)n1 ZINC000804808771 1078636942 /nfs/dbraw/zinc/63/69/42/1078636942.db2.gz YOKCNQOLLLDNIS-NRFANRHFSA-N 1 1 404.518 2.837 20 0 HFADMO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1S(=O)(=O)N1CCCCC1 ZINC001129680130 1078644240 /nfs/dbraw/zinc/64/42/40/1078644240.db2.gz VSMKTOMUEMBAKH-LJQANCHMSA-N 1 1 407.580 2.724 20 0 HFADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC[C@H](N4CCCC4=O)CC3)cc2)C[C@@H](C)O1 ZINC001129705823 1078653353 /nfs/dbraw/zinc/65/33/53/1078653353.db2.gz QODMSAOUIVNKBJ-KNKQGSTJSA-N 1 1 413.562 2.913 20 0 HFADMO C[C@H]1CN(C(=O)C[C@H]2COCCN2C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001129703159 1078661596 /nfs/dbraw/zinc/66/15/96/1078661596.db2.gz BSNLCRXDMDJAAA-ICSRJNTNSA-N 1 1 417.550 2.745 20 0 HFADMO C[C@H]1CN(C(=O)C[C@H]2COCCN2C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001129703159 1078661599 /nfs/dbraw/zinc/66/15/99/1078661599.db2.gz BSNLCRXDMDJAAA-ICSRJNTNSA-N 1 1 417.550 2.745 20 0 HFADMO C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001129704659 1078663032 /nfs/dbraw/zinc/66/30/32/1078663032.db2.gz XYFONLCEGAOACC-DOTOQJQBSA-N 1 1 413.440 2.883 20 0 HFADMO C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001129704659 1078663035 /nfs/dbraw/zinc/66/30/35/1078663035.db2.gz XYFONLCEGAOACC-DOTOQJQBSA-N 1 1 413.440 2.883 20 0 HFADMO C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001129704661 1078663044 /nfs/dbraw/zinc/66/30/44/1078663044.db2.gz XYFONLCEGAOACC-RDJZCZTQSA-N 1 1 413.440 2.883 20 0 HFADMO C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001129704661 1078663046 /nfs/dbraw/zinc/66/30/46/1078663046.db2.gz XYFONLCEGAOACC-RDJZCZTQSA-N 1 1 413.440 2.883 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000804830057 1078670708 /nfs/dbraw/zinc/67/07/08/1078670708.db2.gz OHGRPYJIAIPBLR-HKUYNNGSSA-N 1 1 400.567 2.528 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cnc2cc(OC)ccn21 ZINC001129970993 1078664549 /nfs/dbraw/zinc/66/45/49/1078664549.db2.gz OVFWDWUSENINEZ-WIYYLYMNSA-N 1 1 408.502 2.610 20 0 HFADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)C1 ZINC001129678552 1078666099 /nfs/dbraw/zinc/66/60/99/1078666099.db2.gz BWDQPJQMWDJVOW-OFBHVFLISA-N 1 1 406.490 2.872 20 0 HFADMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)C1 ZINC001129678553 1078666530 /nfs/dbraw/zinc/66/65/30/1078666530.db2.gz BWDQPJQMWDJVOW-SQVRNEIYSA-N 1 1 406.490 2.872 20 0 HFADMO Cc1noc(-c2cccnc2N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000804834080 1078675993 /nfs/dbraw/zinc/67/59/93/1078675993.db2.gz WKXHSIGKBKLLAV-MRXNPFEDSA-N 1 1 414.510 2.571 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000804643672 1078699410 /nfs/dbraw/zinc/69/94/10/1078699410.db2.gz NVPNGVOTYRBRJE-WMZOPIPTSA-N 1 1 414.937 2.829 20 0 HFADMO Cc1cccc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1S(C)(=O)=O ZINC001129759303 1078703476 /nfs/dbraw/zinc/70/34/76/1078703476.db2.gz IXKNUFAMJOUPEG-ZWKOTPCHSA-N 1 1 418.563 2.585 20 0 HFADMO Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC000804647653 1078704539 /nfs/dbraw/zinc/70/45/39/1078704539.db2.gz ZASNVPAIKJUUGI-SFHVURJKSA-N 1 1 424.383 2.873 20 0 HFADMO CC(C)[C@@H](C(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000747218858 1078726246 /nfs/dbraw/zinc/72/62/46/1078726246.db2.gz RHPKJDVPZKFIHW-KNCCTNLNSA-N 1 1 418.456 2.869 20 0 HFADMO C[C@H](Cc1ccccc1Cl)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000804970463 1078806065 /nfs/dbraw/zinc/80/60/65/1078806065.db2.gz MXVVNHPVZUXLEV-CCNLRDMRSA-N 1 1 406.958 2.654 20 0 HFADMO COC(=O)N1CCC(NC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000805050982 1078863741 /nfs/dbraw/zinc/86/37/41/1078863741.db2.gz HHEPFTQQDHCNKZ-JOCHJYFZSA-N 1 1 400.523 2.525 20 0 HFADMO CC(C)(C)S(=O)(=O)CCNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000805111317 1078896898 /nfs/dbraw/zinc/89/68/98/1078896898.db2.gz UIXFBYOHCVNNGZ-NRFANRHFSA-N 1 1 407.580 2.507 20 0 HFADMO CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747230363 1078949125 /nfs/dbraw/zinc/94/91/25/1078949125.db2.gz QCAYQHYXOWSQJP-GPXNEJASSA-N 1 1 423.557 2.503 20 0 HFADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805199271 1078952724 /nfs/dbraw/zinc/95/27/24/1078952724.db2.gz QEWXWWUQJYRPRX-RADWXHQJSA-N 1 1 406.571 2.902 20 0 HFADMO Cc1cccc(CCCNC(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000805181532 1078965372 /nfs/dbraw/zinc/96/53/72/1078965372.db2.gz VWYGBVDAKFNWLJ-UHFFFAOYSA-N 1 1 419.570 2.565 20 0 HFADMO COC(=O)N1CCC(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000805240687 1078980204 /nfs/dbraw/zinc/98/02/04/1078980204.db2.gz ZLJBYTRXEXMFQO-ZWKOTPCHSA-N 1 1 408.930 2.863 20 0 HFADMO COC(=O)N1CCC(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000805240687 1078980209 /nfs/dbraw/zinc/98/02/09/1078980209.db2.gz ZLJBYTRXEXMFQO-ZWKOTPCHSA-N 1 1 408.930 2.863 20 0 HFADMO Cc1ncc(CCNC(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC000805220704 1078991486 /nfs/dbraw/zinc/99/14/86/1078991486.db2.gz AWWJCMWYOJHJPD-FQEVSTJZSA-N 1 1 413.591 2.596 20 0 HFADMO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000805282438 1079008667 /nfs/dbraw/zinc/00/86/67/1079008667.db2.gz NZMSAUBQUSQKJT-VQTJNVASSA-N 1 1 402.539 2.763 20 0 HFADMO CN(C)C(=O)O[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC001170479430 1079031153 /nfs/dbraw/zinc/03/11/53/1079031153.db2.gz JCUZABZPIDSLPK-LBPRGKRZSA-N 1 1 402.264 2.689 20 0 HFADMO CN(C)C(=O)O[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC001170479429 1079031195 /nfs/dbraw/zinc/03/11/95/1079031195.db2.gz JCUZABZPIDSLPK-GFCCVEGCSA-N 1 1 402.264 2.689 20 0 HFADMO CCc1ccc([C@H](CNS(=O)(=O)c2ccc(F)c(C(=O)OC)c2)[NH+](C)C)cc1 ZINC000747237404 1079031566 /nfs/dbraw/zinc/03/15/66/1079031566.db2.gz JOOLMILSMYKOKR-IBGZPJMESA-N 1 1 408.495 2.756 20 0 HFADMO CCc1ccc([C@H](O)CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000805359001 1079045462 /nfs/dbraw/zinc/04/54/62/1079045462.db2.gz WDZVHJBRKFGMEK-DHIUTWEWSA-N 1 1 411.546 2.873 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000747241552 1079058850 /nfs/dbraw/zinc/05/88/50/1079058850.db2.gz AIBPTRWKCOPJPW-MRXNPFEDSA-N 1 1 406.479 2.555 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000747241552 1079058857 /nfs/dbraw/zinc/05/88/57/1079058857.db2.gz AIBPTRWKCOPJPW-MRXNPFEDSA-N 1 1 406.479 2.555 20 0 HFADMO C[C@H](C(=O)N(CCCNC(=O)OC(C)(C)C)CC1CCCC1)N1CC[NH+](C)CC1 ZINC000805473864 1079090890 /nfs/dbraw/zinc/09/08/90/1079090890.db2.gz JGIXZSAMDNMEIB-GOSISDBHSA-N 1 1 410.603 2.556 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2C)c(Cl)cc1Cl ZINC000747246197 1079102418 /nfs/dbraw/zinc/10/24/18/1079102418.db2.gz BYQJITGYLLSZEG-LLVKDONJSA-N 1 1 409.335 2.933 20 0 HFADMO O=C(NC[C@H]1CCC=CO1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000805510336 1079110637 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CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787393289 1076806294 /nfs/dbraw/zinc/80/62/94/1076806294.db2.gz IDJQRZQVHQRHCJ-IRXDYDNUSA-N 1 1 419.570 2.938 20 0 HFADMO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787393289 1076806301 /nfs/dbraw/zinc/80/63/01/1076806301.db2.gz IDJQRZQVHQRHCJ-IRXDYDNUSA-N 1 1 419.570 2.938 20 0 HFADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787393289 1076806309 /nfs/dbraw/zinc/80/63/09/1076806309.db2.gz IDJQRZQVHQRHCJ-IRXDYDNUSA-N 1 1 419.570 2.938 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(C)[C@H]2CCCc3ccccc32)cn1 ZINC000787464377 1076821577 /nfs/dbraw/zinc/82/15/77/1076821577.db2.gz YJWBUWRNGRFBLY-FQEVSTJZSA-N 1 1 403.486 2.728 20 0 HFADMO C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000787508384 1076830010 /nfs/dbraw/zinc/83/00/10/1076830010.db2.gz JVGWCVPUZWTQBH-CYBMUJFWSA-N 1 1 404.417 2.691 20 0 HFADMO O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000746687878 1076836934 /nfs/dbraw/zinc/83/69/34/1076836934.db2.gz MKPVDBOLVPDQLI-GOSISDBHSA-N 1 1 422.554 2.714 20 0 HFADMO O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000746687878 1076836940 /nfs/dbraw/zinc/83/69/40/1076836940.db2.gz MKPVDBOLVPDQLI-GOSISDBHSA-N 1 1 422.554 2.714 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(Cc2ccccc2F)C(C)C)cn1 ZINC000787479001 1076838076 /nfs/dbraw/zinc/83/80/76/1076838076.db2.gz SWFXQEAFCZRBAZ-UHFFFAOYSA-N 1 1 409.465 2.768 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCCCC[C@H]2c2ccncc2)cn1 ZINC000787480039 1076838559 /nfs/dbraw/zinc/83/85/59/1076838559.db2.gz BAFTVCXFRQXTMS-FQEVSTJZSA-N 1 1 418.501 2.731 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)cn1 ZINC000787481435 1076840355 /nfs/dbraw/zinc/84/03/55/1076840355.db2.gz NBVJDXAWRLTVMN-RTWAWAEBSA-N 1 1 417.513 2.720 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)cn1 ZINC000787481431 1076840365 /nfs/dbraw/zinc/84/03/65/1076840365.db2.gz NBVJDXAWRLTVMN-LEWJYISDSA-N 1 1 417.513 2.720 20 0 HFADMO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000787481422 1076840395 /nfs/dbraw/zinc/84/03/95/1076840395.db2.gz MVKDDVCNZVFPHS-SFHVURJKSA-N 1 1 421.501 2.923 20 0 HFADMO COc1ccc([C@@H]2CCCN2C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000787484014 1076841576 /nfs/dbraw/zinc/84/15/76/1076841576.db2.gz IPCCILKDBCKALG-FQEVSTJZSA-N 1 1 419.485 2.564 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)cn1 ZINC000787483912 1076841818 /nfs/dbraw/zinc/84/18/18/1076841818.db2.gz BCTJLBLAUJUPTR-GOEBONIOSA-N 1 1 423.439 2.677 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)cn1 ZINC000787483518 1076842150 /nfs/dbraw/zinc/84/21/50/1076842150.db2.gz FTBVGUYPKOLIGC-QRWLVFNGSA-N 1 1 421.476 2.941 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H]2c3ccccc3CC[C@H]2C)cn1 ZINC000787484693 1076842910 /nfs/dbraw/zinc/84/29/10/1076842910.db2.gz FTIRZUKRVBOAKS-QVKFZJNVSA-N 1 1 403.486 2.632 20 0 HFADMO C[C@@H]1CCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)CC[N@@H+]1Cc1ccccc1 ZINC000746692326 1076847918 /nfs/dbraw/zinc/84/79/18/1076847918.db2.gz RVINKLHEJVQRID-QGZVFWFLSA-N 1 1 422.554 2.808 20 0 HFADMO C[C@@H]1CCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)CC[N@H+]1Cc1ccccc1 ZINC000746692326 1076847926 /nfs/dbraw/zinc/84/79/26/1076847926.db2.gz RVINKLHEJVQRID-QGZVFWFLSA-N 1 1 422.554 2.808 20 0 HFADMO Cc1ccc(C(=O)N[C@H](C(=O)OCCC[NH+]2CCN(C(C)C)CC2)C(C)C)cc1 ZINC000787563558 1076866017 /nfs/dbraw/zinc/86/60/17/1076866017.db2.gz XCBMHPNOPLZJHF-NRFANRHFSA-N 1 1 403.567 2.709 20 0 HFADMO C[C@H](CCNC(=O)c1cc(S(N)(=O)=O)ccc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000746693644 1076873031 /nfs/dbraw/zinc/87/30/31/1076873031.db2.gz GOPSCJRTFUWWDL-CQSZACIVSA-N 1 1 409.939 2.628 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)NCC[N@H+]3CCCC(C)(C)C3)[nH]n2)C1 ZINC000787585329 1076873497 /nfs/dbraw/zinc/87/34/97/1076873497.db2.gz FIZLTWFHSJIQKG-MRXNPFEDSA-N 1 1 419.570 2.986 20 0 HFADMO COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](SC)C1)[NH+]1CCCCC1 ZINC000787584302 1076873514 /nfs/dbraw/zinc/87/35/14/1076873514.db2.gz IAPODQSRNVMLIW-LNLFQRSKSA-N 1 1 419.591 2.739 20 0 HFADMO CN(CCc1ccccc1F)C(=O)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000787627384 1076882956 /nfs/dbraw/zinc/88/29/56/1076882956.db2.gz QCJRXORGHUPENB-UHFFFAOYSA-N 1 1 411.521 2.780 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000787629398 1076883265 /nfs/dbraw/zinc/88/32/65/1076883265.db2.gz ZYIVJFDRLXPOPA-GOSISDBHSA-N 1 1 409.530 2.523 20 0 HFADMO C[N@@H+]1C[C@H]2CN(C(=O)c3cnn(-c4ncccc4Cl)c3C(F)(F)Cl)C[C@H]2C1 ZINC000787638823 1076892240 /nfs/dbraw/zinc/89/22/40/1076892240.db2.gz QQOCFFKPUHVYEK-PHIMTYICSA-N 1 1 416.259 2.842 20 0 HFADMO Cc1ccc(N2CCNC2=O)cc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000787695848 1076916082 /nfs/dbraw/zinc/91/60/82/1076916082.db2.gz YHYOOLPOIYGHRU-OAQYLSRUSA-N 1 1 408.502 2.661 20 0 HFADMO Cc1ccc(N2CCNC2=O)cc1NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000787699590 1076917906 /nfs/dbraw/zinc/91/79/06/1076917906.db2.gz PGQBGQCUHQWXQY-UHFFFAOYSA-N 1 1 407.518 2.524 20 0 HFADMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)C1 ZINC000787707467 1076919825 /nfs/dbraw/zinc/91/98/25/1076919825.db2.gz FVCBLDLSISYNSU-FBAVSBLXSA-N 1 1 411.587 2.764 20 0 HFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)C1 ZINC000787710045 1076921340 /nfs/dbraw/zinc/92/13/40/1076921340.db2.gz ZPHSOUXREWXAHL-HCXYKTFWSA-N 1 1 421.607 2.647 20 0 HFADMO CC[C@@H](CNC(=O)C(=O)Nc1cc(C)cnc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000787877218 1076972496 /nfs/dbraw/zinc/97/24/96/1076972496.db2.gz OQQFQOWWNUTHIM-KRWDZBQOSA-N 1 1 400.910 2.935 20 0 HFADMO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)CCC2 ZINC000787904471 1076988625 /nfs/dbraw/zinc/98/86/25/1076988625.db2.gz SSWRCPSOZJVJPM-PKOBYXMFSA-N 1 1 403.571 2.728 20 0 HFADMO COc1ccccc1C[C@H]1CCC[N@@H+]1CN1C(=O)C(=O)N(Cc2cccs2)C1=O ZINC000746714245 1077001538 /nfs/dbraw/zinc/00/15/38/1077001538.db2.gz FIZGTDKVCHQLRS-MRXNPFEDSA-N 1 1 413.499 2.712 20 0 HFADMO COc1ccccc1C[C@H]1CCC[N@H+]1CN1C(=O)C(=O)N(Cc2cccs2)C1=O ZINC000746714245 1077001544 /nfs/dbraw/zinc/00/15/44/1077001544.db2.gz FIZGTDKVCHQLRS-MRXNPFEDSA-N 1 1 413.499 2.712 20 0 HFADMO C[C@H](Cc1ccco1)NC(=O)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000787960320 1077009385 /nfs/dbraw/zinc/00/93/85/1077009385.db2.gz HTTQJIGQQYNSBQ-LJQANCHMSA-N 1 1 409.530 2.842 20 0 HFADMO CC(C)Oc1ncccc1CNC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000787992346 1077020676 /nfs/dbraw/zinc/02/06/76/1077020676.db2.gz ZZZHIBXZKHJLPJ-XMMPIXPASA-N 1 1 424.545 2.513 20 0 HFADMO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788004132 1077026170 /nfs/dbraw/zinc/02/61/70/1077026170.db2.gz UDRAXARJKUNMSA-JKSUJKDBSA-N 1 1 423.529 2.743 20 0 HFADMO C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788005065 1077026825 /nfs/dbraw/zinc/02/68/25/1077026825.db2.gz ZGRYFDGEPAODKM-QGZVFWFLSA-N 1 1 409.571 2.733 20 0 HFADMO C[C@H](CNC(=O)[C@H](C)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000788005271 1077026835 /nfs/dbraw/zinc/02/68/35/1077026835.db2.gz VQUYDPXLDGWBIS-MSOLQXFVSA-N 1 1 419.566 2.646 20 0 HFADMO C[C@@H](CNC(=O)C(=O)N(C)C1CCCCCCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000788009745 1077027474 /nfs/dbraw/zinc/02/74/74/1077027474.db2.gz FKYQAEFOJPFKIO-FQEVSTJZSA-N 1 1 414.594 2.885 20 0 HFADMO COc1ccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cc1NC(=O)OC(C)(C)C ZINC000788036552 1077036027 /nfs/dbraw/zinc/03/60/27/1077036027.db2.gz JWUXEVHLKIUTGN-LSDHHAIUSA-N 1 1 422.526 2.961 20 0 HFADMO Cn1cc[nH+]c1N1CCC(NC(=O)C2(CNC(=O)OC(C)(C)C)CCCC2)CC1 ZINC000788175065 1077067171 /nfs/dbraw/zinc/06/71/71/1077067171.db2.gz FZTQICNHICBGJV-UHFFFAOYSA-N 1 1 405.543 2.590 20 0 HFADMO C[N@H+]1CC[C@H](NC(=O)Nc2cccc(OCCS(C)(=O)=O)c2)[C@H]1c1ccccc1 ZINC000788288191 1077098961 /nfs/dbraw/zinc/09/89/61/1077098961.db2.gz ZDXVQFGXXWZZJN-VQTJNVASSA-N 1 1 417.531 2.677 20 0 HFADMO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cn2nc(-c3cnn(C)c3)ccc2=O)CC1 ZINC000788362267 1077126745 /nfs/dbraw/zinc/12/67/45/1077126745.db2.gz IAWAFGOAUKOTIP-MRXNPFEDSA-N 1 1 412.925 2.634 20 0 HFADMO C[C@H](C[NH+]1CCOCC1)N(C)Cn1nc(N2CCC(C)CC2)n(C2CC2)c1=S ZINC000788378547 1077135023 /nfs/dbraw/zinc/13/50/23/1077135023.db2.gz SCRKYXKKYFHZDW-QGZVFWFLSA-N 1 1 408.616 2.595 20 0 HFADMO COc1cc2c(c(OC)c1)C(=O)C(=O)N2CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788383462 1077137908 /nfs/dbraw/zinc/13/79/08/1077137908.db2.gz YVVSLVWIPUMHIX-UHFFFAOYSA-N 1 1 424.501 2.603 20 0 HFADMO CC(C)(C)OC(=O)N1CCN(CC[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)CC1 ZINC000788486309 1077177575 /nfs/dbraw/zinc/17/75/75/1077177575.db2.gz SJORLXOTKCVCPA-QHCPKHFHSA-N 1 1 401.551 2.713 20 0 HFADMO CC(C)(C)OC(=O)N1CCN(CC[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)CC1 ZINC000788486309 1077177577 /nfs/dbraw/zinc/17/75/77/1077177577.db2.gz SJORLXOTKCVCPA-QHCPKHFHSA-N 1 1 401.551 2.713 20 0 HFADMO C[C@@H]1C[C@H](CCNC(=O)C(=O)NCCSC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000788546851 1077195903 /nfs/dbraw/zinc/19/59/03/1077195903.db2.gz MBUYENWLLWNKMY-ZBFHGGJFSA-N 1 1 417.497 2.773 20 0 HFADMO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000788612272 1077207863 /nfs/dbraw/zinc/20/78/63/1077207863.db2.gz NRPXYMVAJARIQO-HNAYVOBHSA-N 1 1 402.539 2.587 20 0 HFADMO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000788612272 1077207864 /nfs/dbraw/zinc/20/78/64/1077207864.db2.gz NRPXYMVAJARIQO-HNAYVOBHSA-N 1 1 402.539 2.587 20 0 HFADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000788649378 1077224709 /nfs/dbraw/zinc/22/47/09/1077224709.db2.gz BDYSRZJWIHNMJL-HRQSHJORSA-N 1 1 424.545 2.815 20 0 HFADMO COC(=O)c1sc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(C)c1Cl ZINC000788653176 1077226846 /nfs/dbraw/zinc/22/68/46/1077226846.db2.gz QHEGBIXOPHOVIF-NEPJUHHUSA-N 1 1 406.957 2.601 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)C[C@H](C)O1 ZINC000788627993 1077235391 /nfs/dbraw/zinc/23/53/91/1077235391.db2.gz VAJJWPIRPXZFBB-MAOKOLTRSA-N 1 1 407.458 2.887 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)C[C@H](C)O1 ZINC000788627993 1077235395 /nfs/dbraw/zinc/23/53/95/1077235395.db2.gz VAJJWPIRPXZFBB-MAOKOLTRSA-N 1 1 407.458 2.887 20 0 HFADMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)[C@@H](C)C1 ZINC000788634457 1077239960 /nfs/dbraw/zinc/23/99/60/1077239960.db2.gz JYRVIDDYPJQETN-CMPLNLGQSA-N 1 1 408.973 2.847 20 0 HFADMO COC(=O)c1sc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c(C)c1Cl ZINC000788636595 1077241534 /nfs/dbraw/zinc/24/15/34/1077241534.db2.gz SAJCWJDGCUBZGZ-LBPRGKRZSA-N 1 1 408.973 2.991 20 0 HFADMO C[C@H](CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000788640059 1077242840 /nfs/dbraw/zinc/24/28/40/1077242840.db2.gz BDIURZLCNAUCBE-DEPWHIHDSA-N 1 1 424.545 2.815 20 0 HFADMO CCC(C)(C)c1ccc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cc1 ZINC000790959453 1077254551 /nfs/dbraw/zinc/25/45/51/1077254551.db2.gz ZQWALTLVJJPANK-UHFFFAOYSA-N 1 1 402.583 2.797 20 0 HFADMO CCC(C)(C)c1ccc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000790959453 1077254555 /nfs/dbraw/zinc/25/45/55/1077254555.db2.gz ZQWALTLVJJPANK-UHFFFAOYSA-N 1 1 402.583 2.797 20 0 HFADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000788663778 1077258836 /nfs/dbraw/zinc/25/88/36/1077258836.db2.gz WQFHOQGYNNPKAW-PCCBWWKXSA-N 1 1 424.545 2.959 20 0 HFADMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788751395 1077276509 /nfs/dbraw/zinc/27/65/09/1077276509.db2.gz YBKJHMDOVIMGLU-RCLSDMTESA-N 1 1 400.567 2.795 20 0 HFADMO O=C1C[C@H](Cc2ccccc2)C(=O)N1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000788768946 1077282738 /nfs/dbraw/zinc/28/27/38/1077282738.db2.gz HOGIBBKOUTVYCG-PZJWPPBQSA-N 1 1 400.519 2.612 20 0 HFADMO COc1cccc([C@@H](C)[NH+]2CCN(CN3C(=O)C[C@H](Cc4ccccc4)C3=O)CC2)c1 ZINC000788770734 1077286594 /nfs/dbraw/zinc/28/65/94/1077286594.db2.gz JVPOGDBRCKXWGT-KNQAVFIVSA-N 1 1 421.541 2.949 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000791063827 1077286876 /nfs/dbraw/zinc/28/68/76/1077286876.db2.gz YKBFRWAOEQAAAV-GOSISDBHSA-N 1 1 422.533 2.690 20 0 HFADMO CN(C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788805580 1077293293 /nfs/dbraw/zinc/29/32/93/1077293293.db2.gz SCGKDWQIARTAJO-NRFANRHFSA-N 1 1 412.509 2.700 20 0 HFADMO COc1cccc(-c2nc(C)c(C(=O)O[C@@H]3CCCN(c4cc[nH+]c(N)n4)C3)[nH]2)c1 ZINC000791105865 1077300246 /nfs/dbraw/zinc/30/02/46/1077300246.db2.gz FDOFYDDWPPXNPL-MRXNPFEDSA-N 1 1 408.462 2.592 20 0 HFADMO CN(C(=O)OC(C)(C)C)[C@H](C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1cnn(C)c1 ZINC000791148098 1077308579 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CS(=O)(=O)c1ccc([C@@H](O)C[NH+]2CCC(COc3ccc(Cl)nc3)CC2)cc1 ZINC000789310859 1077509536 /nfs/dbraw/zinc/50/95/36/1077509536.db2.gz JEVOOVGGKRRAAV-IBGZPJMESA-N 1 1 424.950 2.963 20 0 HFADMO CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)nc1 ZINC000791647365 1077509906 /nfs/dbraw/zinc/50/99/06/1077509906.db2.gz PDIWSJUPIIAFMI-RBUKOAKNSA-N 1 1 418.538 2.731 20 0 HFADMO C[C@@H](CN1CCOCC1)[N@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000789333748 1077525463 /nfs/dbraw/zinc/52/54/63/1077525463.db2.gz CTSMZQGTUVDEBQ-SFHVURJKSA-N 1 1 410.518 2.530 20 0 HFADMO C[C@@H](CN1CCOCC1)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000789333748 1077525465 /nfs/dbraw/zinc/52/54/65/1077525465.db2.gz CTSMZQGTUVDEBQ-SFHVURJKSA-N 1 1 410.518 2.530 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc3ccccc3)C2)c1 ZINC000791690440 1077529208 /nfs/dbraw/zinc/52/92/08/1077529208.db2.gz OBPLPPWWJGACSN-ZHRRBRCNSA-N 1 1 411.502 2.834 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2nc3c(s2)CCCCCC3)cn1 ZINC000789381311 1077529658 /nfs/dbraw/zinc/52/96/58/1077529658.db2.gz BOIKHLVASVMILZ-UHFFFAOYSA-N 1 1 424.530 2.946 20 0 HFADMO Cc1cc(C)c(N2C[C@H](C(=O)OCCC[NH+]3CCN(C(C)C)CC3)CC2=O)c(C)c1 ZINC000791695808 1077531394 /nfs/dbraw/zinc/53/13/94/1077531394.db2.gz RWTSJEBBRUBOFZ-OAQYLSRUSA-N 1 1 415.578 2.924 20 0 HFADMO CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCC[N@H+]1C[C@H](O)C1CCCCC1 ZINC000789389521 1077534148 /nfs/dbraw/zinc/53/41/48/1077534148.db2.gz SXXBYGIDKKZIEJ-MOPGFXCFSA-N 1 1 411.587 2.813 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC(=O)NC(=O)NC1CCCCC1 ZINC000789363382 1077539168 /nfs/dbraw/zinc/53/91/68/1077539168.db2.gz KHJPLMMPTPAKQD-OAHLLOKOSA-N 1 1 402.495 2.795 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC(=O)NC(=O)NC1CCCCC1 ZINC000789363382 1077539170 /nfs/dbraw/zinc/53/91/70/1077539170.db2.gz KHJPLMMPTPAKQD-OAHLLOKOSA-N 1 1 402.495 2.795 20 0 HFADMO Cc1cc(C)cc(N2CC[C@H](C(=O)OCCC[NH+]3CCN(C(C)C)CC3)C2=O)c1 ZINC000791777065 1077548980 /nfs/dbraw/zinc/54/89/80/1077548980.db2.gz HJAVEBCRPYPEMG-NRFANRHFSA-N 1 1 401.551 2.616 20 0 HFADMO Cc1sc2nc(CCC(=O)OCCC[NH+]3CCN(C(C)C)CC3)[nH]c(=O)c2c1C ZINC000791778552 1077549336 /nfs/dbraw/zinc/54/93/36/1077549336.db2.gz PHWMEDQDZDUTQY-UHFFFAOYSA-N 1 1 420.579 2.906 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)c2cc3c(c(Br)c2)OCO3)CC1 ZINC000791778410 1077549340 /nfs/dbraw/zinc/54/93/40/1077549340.db2.gz WXZASMJJRWRZIG-UHFFFAOYSA-N 1 1 413.312 2.751 20 0 HFADMO COc1cccc(C2=NO[C@H](C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)c1 ZINC000791753034 1077552759 /nfs/dbraw/zinc/55/27/59/1077552759.db2.gz XZUXDLPQSWLEKZ-GMAHTHKFSA-N 1 1 423.513 2.596 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N(C)Cc2nc(C(F)(F)F)cs2)cn1 ZINC000746807167 1077564432 /nfs/dbraw/zinc/56/44/32/1077564432.db2.gz MOILOSCIQCXLBD-UHFFFAOYSA-N 1 1 424.408 2.648 20 0 HFADMO COc1ccc([C@H]2[C@@H](COC(=O)CN3CCc4ccccc4C3=O)CC[N@H+]2C)cc1 ZINC000789432712 1077570216 /nfs/dbraw/zinc/57/02/16/1077570216.db2.gz MGUPLLOJBDHBQT-XXBNENTESA-N 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C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000746826938 1077624066 /nfs/dbraw/zinc/62/40/66/1077624066.db2.gz BQMLSQSPNWLPCU-MOPGFXCFSA-N 1 1 418.582 2.816 20 0 HFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000791988369 1077624668 /nfs/dbraw/zinc/62/46/68/1077624668.db2.gz HGWRLZRIVDPDLS-IEBWSBKVSA-N 1 1 405.539 2.649 20 0 HFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000791988369 1077624672 /nfs/dbraw/zinc/62/46/72/1077624672.db2.gz HGWRLZRIVDPDLS-IEBWSBKVSA-N 1 1 405.539 2.649 20 0 HFADMO CC(C)n1ncc2cc(NC(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)cnc21 ZINC000792033749 1077639634 /nfs/dbraw/zinc/63/96/34/1077639634.db2.gz VDGOFEWDUOVIIC-UHFFFAOYSA-N 1 1 416.526 2.894 20 0 HFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000791999106 1077642230 /nfs/dbraw/zinc/64/22/30/1077642230.db2.gz ZQDPPVZWHUKWCD-QUCCMNQESA-N 1 1 418.582 2.737 20 0 HFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000791999109 1077642277 /nfs/dbraw/zinc/64/22/77/1077642277.db2.gz ZQDPPVZWHUKWCD-UYAOXDASSA-N 1 1 418.582 2.737 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)C2)c1 ZINC000792056676 1077661906 /nfs/dbraw/zinc/66/19/06/1077661906.db2.gz HXWMZURUJWRKGN-IERDGZPVSA-N 1 1 403.523 2.825 20 0 HFADMO COc1ccc(F)cc1[C@@H](C)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792066368 1077674370 /nfs/dbraw/zinc/67/43/70/1077674370.db2.gz FYPVINZSWLVHTM-OAHLLOKOSA-N 1 1 409.502 2.954 20 0 HFADMO CCOC(=O)N[C@H](CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)CC(C)C ZINC000792032950 1077685606 /nfs/dbraw/zinc/68/56/06/1077685606.db2.gz MNTZPZFOOPFTGQ-HBMCJLEFSA-N 1 1 416.566 2.921 20 0 HFADMO C[C@@H](O)COC(=O)CCC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000792037133 1077687883 /nfs/dbraw/zinc/68/78/83/1077687883.db2.gz YPRXPRHOHMBUNI-QGZVFWFLSA-N 1 1 408.498 2.605 20 0 HFADMO COc1ccc2c(c1)CCCN2C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792041333 1077690200 /nfs/dbraw/zinc/69/02/00/1077690200.db2.gz TVNOYVGUDAZRMP-UHFFFAOYSA-N 1 1 403.523 2.917 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)Nc2cc(-n3cccn3)ccc2C)cn1 ZINC000789625072 1077695980 /nfs/dbraw/zinc/69/59/80/1077695980.db2.gz BMDIVCSFKUSFAZ-UHFFFAOYSA-N 1 1 401.430 2.647 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCCc2c[nH]c3cc(F)ccc23)CC1 ZINC000792113043 1077702085 /nfs/dbraw/zinc/70/20/85/1077702085.db2.gz BJMRFWUNOCDPMV-UHFFFAOYSA-N 1 1 418.513 2.909 20 0 HFADMO Cc1nc(C2(NC(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)CCCCC2)no1 ZINC000792079254 1077704491 /nfs/dbraw/zinc/70/44/91/1077704491.db2.gz HYVIYFIKRLGGRN-UHFFFAOYSA-N 1 1 421.542 2.596 20 0 HFADMO C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)C1 ZINC000789603280 1077705214 /nfs/dbraw/zinc/70/52/14/1077705214.db2.gz DPYQWXFJGPNNCX-OWCLPIDISA-N 1 1 406.958 2.923 20 0 HFADMO C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)C1 ZINC000789603278 1077705389 /nfs/dbraw/zinc/70/53/89/1077705389.db2.gz DPYQWXFJGPNNCX-BZUAXINKSA-N 1 1 406.958 2.923 20 0 HFADMO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000746842273 1077715387 /nfs/dbraw/zinc/71/53/87/1077715387.db2.gz MCOKQKQWMFKBIJ-GBESFXJTSA-N 1 1 410.603 2.506 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2c2ncccn2)CC1 ZINC000792128510 1077715829 /nfs/dbraw/zinc/71/58/29/1077715829.db2.gz DOYKMOJYFJNYRF-HKBOAZHASA-N 1 1 415.582 2.573 20 0 HFADMO CC(C)[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1nc(C2CC2)no1 ZINC000792129336 1077716428 /nfs/dbraw/zinc/71/64/28/1077716428.db2.gz UPWGEBAWVNOWLB-QGZVFWFLSA-N 1 1 421.542 2.703 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCO[C@@H](c3ccccc3F)C2)CC1 ZINC000792130157 1077716988 /nfs/dbraw/zinc/71/69/88/1077716988.db2.gz SOLUWZGDMBGCJZ-LJQANCHMSA-N 1 1 421.513 2.668 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2ccc3c(c2)CCCC(=O)N3)CC1 ZINC000792135927 1077718964 /nfs/dbraw/zinc/71/89/64/1077718964.db2.gz GVLYLGXOTMYRHF-UHFFFAOYSA-N 1 1 416.522 2.843 20 0 HFADMO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000789651324 1077719589 /nfs/dbraw/zinc/71/95/89/1077719589.db2.gz FWKCBOPCPUQJRC-MJGOQNOKSA-N 1 1 412.559 2.726 20 0 HFADMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000792150408 1077723548 /nfs/dbraw/zinc/72/35/48/1077723548.db2.gz QEUDZOCHBSZPMM-PKTZIBPZSA-N 1 1 420.557 2.999 20 0 HFADMO O=C(NCc1ccc(N2CCOC2=O)cc1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792162754 1077727645 /nfs/dbraw/zinc/72/76/45/1077727645.db2.gz FOLUSQYPSVNIGK-HXUWFJFHSA-N 1 1 408.502 2.965 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCC(OC3CCCC3)CC2)CC1 ZINC000792121989 1077728981 /nfs/dbraw/zinc/72/89/81/1077728981.db2.gz WOHUQQYWOBZFLW-UHFFFAOYSA-N 1 1 409.571 2.879 20 0 HFADMO Cc1cc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)ccc1C(=O)N(C)C ZINC000792196738 1077741062 /nfs/dbraw/zinc/74/10/62/1077741062.db2.gz YPAMLTIDMZUFEC-UHFFFAOYSA-N 1 1 418.538 2.578 20 0 HFADMO Cc1ccccc1[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CCO1 ZINC000792197333 1077741663 /nfs/dbraw/zinc/74/16/63/1077741663.db2.gz TXYWPQKMKVZCEK-HXUWFJFHSA-N 1 1 417.550 2.838 20 0 HFADMO C[C@H](CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)Oc1cccc(F)c1 ZINC000792198579 1077742031 /nfs/dbraw/zinc/74/20/31/1077742031.db2.gz DVDVWASXMLPKIV-MRXNPFEDSA-N 1 1 409.502 2.652 20 0 HFADMO Cc1cnc([C@@H](NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C2CC2)s1 ZINC000792201798 1077743912 /nfs/dbraw/zinc/74/39/12/1077743912.db2.gz WBOFBBIYZDNVGF-KRWDZBQOSA-N 1 1 408.568 2.962 20 0 HFADMO C[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@H](c2ccccc2)CO1 ZINC000792206107 1077745824 /nfs/dbraw/zinc/74/58/24/1077745824.db2.gz FROJZVZOPPLIQU-ICSRJNTNSA-N 1 1 417.550 2.918 20 0 HFADMO CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000792225218 1077751155 /nfs/dbraw/zinc/75/11/55/1077751155.db2.gz JHBYZNBCOSBLRF-RTBURBONSA-N 1 1 402.539 2.817 20 0 HFADMO CC(C)COC(=O)N1CCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000792225360 1077751231 /nfs/dbraw/zinc/75/12/31/1077751231.db2.gz LGQDHBWDRJNZFV-FQEVSTJZSA-N 1 1 402.539 2.628 20 0 HFADMO CC(C)CNC(=O)C1CCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000792227486 1077752340 /nfs/dbraw/zinc/75/23/40/1077752340.db2.gz XATPOOZCNNNVOG-FQEVSTJZSA-N 1 1 400.567 2.702 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N[C@@H](CCCO)c2ccccc2)CC1 ZINC000792233855 1077756098 /nfs/dbraw/zinc/75/60/98/1077756098.db2.gz UQZRPXXDOTWONI-IBGZPJMESA-N 1 1 405.539 2.559 20 0 HFADMO COC(=O)[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792239322 1077760050 /nfs/dbraw/zinc/76/00/50/1077760050.db2.gz FSQGYXLFRJADIN-QZTJIDSGSA-N 1 1 406.910 2.658 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000789725630 1077761413 /nfs/dbraw/zinc/76/14/13/1077761413.db2.gz UEBKUZOWCCGOEC-IRXDYDNUSA-N 1 1 415.559 2.503 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000789725630 1077761417 /nfs/dbraw/zinc/76/14/17/1077761417.db2.gz UEBKUZOWCCGOEC-IRXDYDNUSA-N 1 1 415.559 2.503 20 0 HFADMO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000792244301 1077762807 /nfs/dbraw/zinc/76/28/07/1077762807.db2.gz WWWPPSIXAMNTMZ-DZGCQCFKSA-N 1 1 422.323 2.980 20 0 HFADMO C=CC(=O)Nc1cc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)ccc1F ZINC000792214727 1077768168 /nfs/dbraw/zinc/76/81/68/1077768168.db2.gz LLNGDYRYNOYAMB-UHFFFAOYSA-N 1 1 420.485 2.832 20 0 HFADMO CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792292834 1077777945 /nfs/dbraw/zinc/77/79/45/1077777945.db2.gz DNBANRPMYBYAFJ-JXFKEZNVSA-N 1 1 423.529 2.961 20 0 HFADMO C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)NC(=O)OC(C)(C)C ZINC000792254654 1077781192 /nfs/dbraw/zinc/78/11/92/1077781192.db2.gz CYZLBTDSZHVLDL-MRXNPFEDSA-N 1 1 408.518 2.956 20 0 HFADMO C[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)NC(=O)OC(C)(C)C ZINC000792254654 1077781197 /nfs/dbraw/zinc/78/11/97/1077781197.db2.gz CYZLBTDSZHVLDL-MRXNPFEDSA-N 1 1 408.518 2.956 20 0 HFADMO COc1ccc(OC)c(C(=O)OCC[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000789792349 1077797965 /nfs/dbraw/zinc/79/79/65/1077797965.db2.gz QJGYMNQXGCIJPE-UHFFFAOYSA-N 1 1 408.495 2.803 20 0 HFADMO COc1ccc(OC)c(C(=O)OCC[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000789792349 1077797970 /nfs/dbraw/zinc/79/79/70/1077797970.db2.gz QJGYMNQXGCIJPE-UHFFFAOYSA-N 1 1 408.495 2.803 20 0 HFADMO Cc1nn(C)c(C)c1C[C@@H](C)C(=O)OCC[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000789792263 1077798137 /nfs/dbraw/zinc/79/81/37/1077798137.db2.gz OVNKHBXGGBPWSA-MRXNPFEDSA-N 1 1 422.570 2.702 20 0 HFADMO Cc1nn(C)c(C)c1C[C@@H](C)C(=O)OCC[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000789792263 1077798141 /nfs/dbraw/zinc/79/81/41/1077798141.db2.gz OVNKHBXGGBPWSA-MRXNPFEDSA-N 1 1 422.570 2.702 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[N@H+](CCOC(=O)[C@@H]2CCCN2c2nccs2)CC1 ZINC000789791894 1077798424 /nfs/dbraw/zinc/79/84/24/1077798424.db2.gz KAAIPEJELWTZOD-INIZCTEOSA-N 1 1 424.567 2.598 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[N@@H+](CCOC(=O)[C@@H]2CCCN2c2nccs2)CC1 ZINC000789791894 1077798428 /nfs/dbraw/zinc/79/84/28/1077798428.db2.gz KAAIPEJELWTZOD-INIZCTEOSA-N 1 1 424.567 2.598 20 0 HFADMO CC(C)n1cc2c(n1)[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)CCC2 ZINC000792307895 1077798683 /nfs/dbraw/zinc/79/86/83/1077798683.db2.gz RJLFFOYXMDIKHU-GOSISDBHSA-N 1 1 419.570 2.900 20 0 HFADMO C[C@H](NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000792308806 1077799576 /nfs/dbraw/zinc/79/95/76/1077799576.db2.gz HNGVXMMNNDHLME-RBUKOAKNSA-N 1 1 422.614 2.698 20 0 HFADMO CO[C@H]1Cc2ccc(NC(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)cc2C1 ZINC000792313484 1077803204 /nfs/dbraw/zinc/80/32/04/1077803204.db2.gz GXGLVGBMMPPCRQ-IBGZPJMESA-N 1 1 403.523 2.682 20 0 HFADMO C[N@@H+](CCN1CCN(C(=O)c2nc(Br)cs2)CC1)Cc1ccccc1 ZINC000792321067 1077805496 /nfs/dbraw/zinc/80/54/96/1077805496.db2.gz NBCLUPRAFSARAV-UHFFFAOYSA-N 1 1 423.380 2.795 20 0 HFADMO Cc1nc(Cl)ccc1NC(=O)C(=O)Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000789775429 1077808682 /nfs/dbraw/zinc/80/86/82/1077808682.db2.gz UIPDCPRHWGBXCR-UHFFFAOYSA-N 1 1 416.909 2.750 20 0 HFADMO CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000792369813 1077818580 /nfs/dbraw/zinc/81/85/80/1077818580.db2.gz VGLONIPPZDOYAF-SFHVURJKSA-N 1 1 424.501 2.832 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NC[C@H]2CCCN(c3ccccc3)C2)cn1 ZINC000789810735 1077821474 /nfs/dbraw/zinc/82/14/74/1077821474.db2.gz ZDFVQPBKKQRGFX-GOSISDBHSA-N 1 1 418.501 2.547 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)Nc1cc(-c2ccccc2)ccc1Cl ZINC000792339467 1077825836 /nfs/dbraw/zinc/82/58/36/1077825836.db2.gz ABQATRJWFUXQRW-ZWKOTPCHSA-N 1 1 413.905 2.925 20 0 HFADMO O=C(C[NH+]1CCC(Oc2ccc(F)nc2)CC1)NCCCOc1ccccc1F ZINC000792387128 1077829605 /nfs/dbraw/zinc/82/96/05/1077829605.db2.gz XUKAZFJPFVGWAU-UHFFFAOYSA-N 1 1 405.445 2.788 20 0 HFADMO C[N@H+]1CCC[C@H](CCNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)C1 ZINC001626112178 1077830496 /nfs/dbraw/zinc/83/04/96/1077830496.db2.gz XKJJULULSZYBHE-LJQANCHMSA-N 1 1 404.514 2.907 20 0 HFADMO COC(=O)Nc1ccc(CNC(=O)C[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc1 ZINC000792390101 1077831426 /nfs/dbraw/zinc/83/14/26/1077831426.db2.gz UQHIBXLLKWPGMX-UHFFFAOYSA-N 1 1 416.453 2.559 20 0 HFADMO C[N@@H+](CCOc1cccc(CNC(=O)c2ccn(CC(F)F)n2)c1)C1CCOCC1 ZINC000789929658 1077850886 /nfs/dbraw/zinc/85/08/86/1077850886.db2.gz VGHBSTKNSCWVAW-UHFFFAOYSA-N 1 1 422.476 2.568 20 0 HFADMO CCOC(=O)C1C(C[NH2+][C@@]2(CC)CCOC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000792430205 1077851487 /nfs/dbraw/zinc/85/14/87/1077851487.db2.gz HLMWWVPOJIRXDG-PXNSSMCTSA-N 1 1 407.898 2.670 20 0 HFADMO CCNC(=O)CN(C)Cn1nc([C@H](C)[NH+]2CCCCC2)n(-c2ccccc2)c1=S ZINC000747073974 1077854329 /nfs/dbraw/zinc/85/43/29/1077854329.db2.gz KVELBDJADGHXFS-KRWDZBQOSA-N 1 1 416.595 2.976 20 0 HFADMO Cc1c[nH+]ccc1OC1CCN(C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)CC1 ZINC000772796133 1077856608 /nfs/dbraw/zinc/85/66/08/1077856608.db2.gz GFJOFYDKLJHVFE-UHFFFAOYSA-N 1 1 406.486 2.938 20 0 HFADMO CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000792497193 1077867413 /nfs/dbraw/zinc/86/74/13/1077867413.db2.gz ZRRGGCDSPUJIDG-VQTJNVASSA-N 1 1 417.550 2.651 20 0 HFADMO O=C(C=CC(=O)Nc1ccc2n[nH]cc2c1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792499096 1077868450 /nfs/dbraw/zinc/86/84/50/1077868450.db2.gz UQRUHNVHAPOFSG-BLGFXRMMSA-N 1 1 403.486 2.696 20 0 HFADMO O=C(C=CC(=O)Nc1ccc2n[nH]cc2c1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792499099 1077868496 /nfs/dbraw/zinc/86/84/96/1077868496.db2.gz UQRUHNVHAPOFSG-GIFJBRJJSA-N 1 1 403.486 2.696 20 0 HFADMO CCOC(=O)c1cc2ccncc2c(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)n1 ZINC001170167095 1077869929 /nfs/dbraw/zinc/86/99/29/1077869929.db2.gz VRZQFSXEFOUKFO-UHFFFAOYSA-N 1 1 420.473 2.675 20 0 HFADMO C[N@@H+](CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)C1CCCC1 ZINC000789976573 1077878834 /nfs/dbraw/zinc/87/88/34/1077878834.db2.gz SGGIZXCHILJDQO-BGYRXZFFSA-N 1 1 410.518 2.569 20 0 HFADMO O=C1c2cccc(Cl)c2S(=O)(=O)N1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000789983014 1077883801 /nfs/dbraw/zinc/88/38/01/1077883801.db2.gz QOTQIUXFBKSNKO-INIZCTEOSA-N 1 1 420.918 2.776 20 0 HFADMO O=C1c2cccc(Cl)c2S(=O)(=O)N1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000789983014 1077883808 /nfs/dbraw/zinc/88/38/08/1077883808.db2.gz QOTQIUXFBKSNKO-INIZCTEOSA-N 1 1 420.918 2.776 20 0 HFADMO CCc1c(C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)cnn1-c1ccccc1Cl ZINC000792545123 1077898637 /nfs/dbraw/zinc/89/86/37/1077898637.db2.gz DHOTXHDDCIFORD-OAHLLOKOSA-N 1 1 418.925 2.798 20 0 HFADMO CCc1c(C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)cnn1-c1ccccc1Cl ZINC000792545123 1077898645 /nfs/dbraw/zinc/89/86/45/1077898645.db2.gz DHOTXHDDCIFORD-OAHLLOKOSA-N 1 1 418.925 2.798 20 0 HFADMO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCC(=O)Nc1sc3c(c1C(N)=O)CCCC3)C2 ZINC001170204933 1077905247 /nfs/dbraw/zinc/90/52/47/1077905247.db2.gz GEEVOANFPJWDDK-YIONKMFJSA-N 1 1 404.580 2.611 20 0 HFADMO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCC(=O)Nc1sc3c(c1C(N)=O)CCCC3)C2 ZINC001170204933 1077905249 /nfs/dbraw/zinc/90/52/49/1077905249.db2.gz GEEVOANFPJWDDK-YIONKMFJSA-N 1 1 404.580 2.611 20 0 HFADMO CCCCNC(=O)OC[C@H]1CCCC[N@H+]1C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001170218966 1077910290 /nfs/dbraw/zinc/91/02/90/1077910290.db2.gz XLDSGSSXUCYXHR-IAGOWNOFSA-N 1 1 401.548 2.595 20 0 HFADMO O=C(c1cccnc1)N1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000792578553 1077915530 /nfs/dbraw/zinc/91/55/30/1077915530.db2.gz OAWYDISDENLPBB-ZRZAMGCNSA-N 1 1 418.541 2.524 20 0 HFADMO CC[C@H]1C[C@H]([N@H+]2CC[C@H]3C(=O)N(Cc4ccc(OC)cc4)CCO[C@H]3C2)CCO1 ZINC001170224200 1077916889 /nfs/dbraw/zinc/91/68/89/1077916889.db2.gz UITSCTRZWRPBLP-KIZRIRGWSA-N 1 1 402.535 2.702 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccnnc3)[C@H]2C1 ZINC001170272113 1077925323 /nfs/dbraw/zinc/92/53/23/1077925323.db2.gz GMLWIYWVHXFSJC-PXDUREFJSA-N 1 1 414.937 2.828 20 0 HFADMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)C[C@@H]1C ZINC000790051267 1077931107 /nfs/dbraw/zinc/93/11/07/1077931107.db2.gz DETRTSXWAFPJMC-SIKLNZKXSA-N 1 1 414.594 2.667 20 0 HFADMO O=C(N1C[C@@H]2CC[N@@H+](Cc3ccn(-c4c(F)cccc4F)n3)C[C@H]2C1)C(F)(F)F ZINC001170280141 1077936239 /nfs/dbraw/zinc/93/62/39/1077936239.db2.gz BAXMUDNWAQOQCC-STQMWFEESA-N 1 1 414.378 2.993 20 0 HFADMO O=C(N1C[C@@H]2CC[N@H+](Cc3ccn(-c4c(F)cccc4F)n3)C[C@H]2C1)C(F)(F)F ZINC001170280141 1077936243 /nfs/dbraw/zinc/93/62/43/1077936243.db2.gz BAXMUDNWAQOQCC-STQMWFEESA-N 1 1 414.378 2.993 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@H+]1C[C@@H](NC(=O)c2nccn2C)[C@H]2OCCC[C@H]21 ZINC001170285694 1077937602 /nfs/dbraw/zinc/93/76/02/1077937602.db2.gz UMAAOSXJDMTRSW-UTRMSSBJSA-N 1 1 402.926 2.666 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@H+]1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001170284475 1077937676 /nfs/dbraw/zinc/93/76/76/1077937676.db2.gz OBJALBYOHBVKMY-IAGOWNOFSA-N 1 1 424.936 2.820 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@@H+]1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001170284475 1077937678 /nfs/dbraw/zinc/93/76/78/1077937678.db2.gz OBJALBYOHBVKMY-IAGOWNOFSA-N 1 1 424.936 2.820 20 0 HFADMO NC(=O)CC[N@@H+](C[C@@H](O)COc1cccc2[nH]ccc21)[C@@H]1CCOc2ccccc21 ZINC001170290296 1077938724 /nfs/dbraw/zinc/93/87/24/1077938724.db2.gz JPYCOUWGVICQJS-OXQOHEQNSA-N 1 1 409.486 2.609 20 0 HFADMO Cc1cc(NC(=O)C[N@H+](CCC(N)=O)[C@H]2CCOc3ccccc32)n(C(C)(C)C)n1 ZINC001170290645 1077938746 /nfs/dbraw/zinc/93/87/46/1077938746.db2.gz OMVQQIWMAFAILK-KRWDZBQOSA-N 1 1 413.522 2.586 20 0 HFADMO Cc1cc(NC(=O)C[N@@H+](CCC(N)=O)[C@H]2CCOc3ccccc32)n(C(C)(C)C)n1 ZINC001170290645 1077938750 /nfs/dbraw/zinc/93/87/50/1077938750.db2.gz OMVQQIWMAFAILK-KRWDZBQOSA-N 1 1 413.522 2.586 20 0 HFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000792619440 1077944560 /nfs/dbraw/zinc/94/45/60/1077944560.db2.gz ZIFPKVSESGDPGS-GOSISDBHSA-N 1 1 418.582 2.809 20 0 HFADMO CCc1nsc(N2CCC[N@@H+](CCC(=O)Nc3ccc(N(C)C)cc3)CC2)n1 ZINC000790129540 1077951375 /nfs/dbraw/zinc/95/13/75/1077951375.db2.gz WSCIIMJJHGYSHE-UHFFFAOYSA-N 1 1 402.568 2.707 20 0 HFADMO CC(C)[NH+]1CCC(N2CCN(CCC(=O)Nc3ccc(N(C)C)cc3)CC2)CC1 ZINC000790133018 1077953125 /nfs/dbraw/zinc/95/31/25/1077953125.db2.gz LNISLTNMTJYBPO-UHFFFAOYSA-N 1 1 401.599 2.572 20 0 HFADMO CCOC(=O)Cn1ccc2c1nc[nH+]c2NCC1CCN(C(=O)C(C)(C)C)CC1 ZINC001170348833 1077955374 /nfs/dbraw/zinc/95/53/74/1077955374.db2.gz BXYPFFAVMNFBMT-UHFFFAOYSA-N 1 1 401.511 2.691 20 0 HFADMO CCOc1cc2c(cc1/C=C/C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)O[C@H](C)C2 ZINC000790126000 1077960034 /nfs/dbraw/zinc/96/00/34/1077960034.db2.gz IGXWHKYJBRXGEU-WFJGZTCRSA-N 1 1 402.535 2.990 20 0 HFADMO CCOc1cc2c(cc1/C=C/C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)O[C@H](C)C2 ZINC000790126000 1077960035 /nfs/dbraw/zinc/96/00/35/1077960035.db2.gz IGXWHKYJBRXGEU-WFJGZTCRSA-N 1 1 402.535 2.990 20 0 HFADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)c3cc(=O)c4ccccc4o3)n2)c1C ZINC000790162798 1077963203 /nfs/dbraw/zinc/96/32/03/1077963203.db2.gz UTEISYBIHUXVEL-UHFFFAOYSA-N 1 1 405.414 2.706 20 0 HFADMO CCOC(=O)C1=C(C[N@@H+]2CC[C@H](OC)[C@H](C)C2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001170399801 1077964862 /nfs/dbraw/zinc/96/48/62/1077964862.db2.gz NILXWEGUBXVIJU-XVGQJIODSA-N 1 1 421.925 2.868 20 0 HFADMO CCOC(=O)C1=C(C[N@H+]2CC[C@H](OC)[C@H](C)C2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001170399801 1077964864 /nfs/dbraw/zinc/96/48/64/1077964864.db2.gz NILXWEGUBXVIJU-XVGQJIODSA-N 1 1 421.925 2.868 20 0 HFADMO CCOC(=O)C1C(C[N@@H+]2CC[C@H](OC)[C@H](C)C2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001170399801 1077964868 /nfs/dbraw/zinc/96/48/68/1077964868.db2.gz NILXWEGUBXVIJU-XVGQJIODSA-N 1 1 421.925 2.868 20 0 HFADMO CCOC(=O)C1C(C[N@H+]2CC[C@H](OC)[C@H](C)C2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001170399801 1077964871 /nfs/dbraw/zinc/96/48/71/1077964871.db2.gz NILXWEGUBXVIJU-XVGQJIODSA-N 1 1 421.925 2.868 20 0 HFADMO CC(C)c1nnc(N(C)CCOc2ccccc2Cl)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001691696232 1077966335 /nfs/dbraw/zinc/96/63/35/1077966335.db2.gz RMQGNEJZVGFPTE-HXUWFJFHSA-N 1 1 407.946 2.637 20 0 HFADMO COc1cc(C)c([C@H](C)NC(=O)C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1OC ZINC001170410925 1077966367 /nfs/dbraw/zinc/96/63/67/1077966367.db2.gz IOEOJKXGMOYQAG-IRXDYDNUSA-N 1 1 419.566 2.803 20 0 HFADMO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000790187453 1077966867 /nfs/dbraw/zinc/96/68/67/1077966867.db2.gz BCTCQDDGPBZFCG-SIKLNZKXSA-N 1 1 411.550 2.633 20 0 HFADMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2ccc(-n3cc[nH]c3=S)cc2)C[C@H](C)O1 ZINC000746888527 1077981176 /nfs/dbraw/zinc/98/11/76/1077981176.db2.gz ZNQVKUQZMWTZLM-JTDSTZFVSA-N 1 1 400.548 2.875 20 0 HFADMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2ccc(-n3cc[nH]c3=S)cc2)C[C@H](C)O1 ZINC000746888527 1077981179 /nfs/dbraw/zinc/98/11/79/1077981179.db2.gz ZNQVKUQZMWTZLM-JTDSTZFVSA-N 1 1 400.548 2.875 20 0 HFADMO COc1csc(C(=O)OCC(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)c1 ZINC000747085732 1077989876 /nfs/dbraw/zinc/98/98/76/1077989876.db2.gz UMXRDJVZUPJKFG-UHFFFAOYSA-N 1 1 418.515 2.657 20 0 HFADMO CCOC1(C(=O)OCC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)CCCC1 ZINC000792823012 1078006057 /nfs/dbraw/zinc/00/60/57/1078006057.db2.gz GQRKGZDIWMSUFD-UHFFFAOYSA-N 1 1 402.535 2.922 20 0 HFADMO CC(C)Oc1ncccc1C(=O)O[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792831241 1078007523 /nfs/dbraw/zinc/00/75/23/1078007523.db2.gz AZVYNZIPCJWDBP-IEBWSBKVSA-N 1 1 411.502 2.805 20 0 HFADMO COc1ncc(C(=O)OCC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cc1Cl ZINC000792859378 1078010107 /nfs/dbraw/zinc/01/01/07/1078010107.db2.gz CCKSNTJEUCLKMM-UHFFFAOYSA-N 1 1 417.893 2.553 20 0 HFADMO O=C(c1ccc(F)cc1)[C@H]1CCCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790369644 1078016523 /nfs/dbraw/zinc/01/65/23/1078016523.db2.gz QNSXZTKWOJCBTR-JTSKRJEESA-N 1 1 401.482 2.595 20 0 HFADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCC(Oc3ccc(F)nc3)CC2)[C@H](C)C1 ZINC000790377160 1078018492 /nfs/dbraw/zinc/01/84/92/1078018492.db2.gz WPZICWPRDRWGLF-YLJYHZDGSA-N 1 1 422.545 2.911 20 0 HFADMO CNS(=O)(=O)c1cccc2c1CC[N@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C2 ZINC000792922124 1078026559 /nfs/dbraw/zinc/02/65/59/1078026559.db2.gz PAFJCSFFIXVUIJ-KRWDZBQOSA-N 1 1 414.449 2.705 20 0 HFADMO CNS(=O)(=O)c1cccc2c1CC[N@@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C2 ZINC000792922124 1078026564 /nfs/dbraw/zinc/02/65/64/1078026564.db2.gz PAFJCSFFIXVUIJ-KRWDZBQOSA-N 1 1 414.449 2.705 20 0 HFADMO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)nc1Br ZINC000792980282 1078031804 /nfs/dbraw/zinc/03/18/04/1078031804.db2.gz NURIPYYNDUFJII-AWEZNQCLSA-N 1 1 419.323 2.728 20 0 HFADMO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)nc1Br ZINC000792980284 1078031872 /nfs/dbraw/zinc/03/18/72/1078031872.db2.gz NURIPYYNDUFJII-CQSZACIVSA-N 1 1 419.323 2.728 20 0 HFADMO Cc1ccc(NC(=O)C(=O)NCCC[N@H+](C)Cc2ccccc2)nc1Br ZINC000792947829 1078032414 /nfs/dbraw/zinc/03/24/14/1078032414.db2.gz DOJDUPARHIXVFU-UHFFFAOYSA-N 1 1 419.323 2.729 20 0 HFADMO COC(=O)c1c2cnn(CN3CCC(C[NH+](C)C)CC3)c2ccc1Br ZINC000790444675 1078033895 /nfs/dbraw/zinc/03/38/95/1078033895.db2.gz CZDSKLFUHABOIM-UHFFFAOYSA-N 1 1 409.328 2.817 20 0 HFADMO COC(=O)c1c2cnn(CN(C)[C@H]3CC[N@H+](C4CC4)C3)c2ccc1Br ZINC000790446092 1078034085 /nfs/dbraw/zinc/03/40/85/1078034085.db2.gz LIXKUTKHPFQMQV-ZDUSSCGKSA-N 1 1 407.312 2.711 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@H](O)C[NH+]1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000792961398 1078036281 /nfs/dbraw/zinc/03/62/81/1078036281.db2.gz XJKGIJIWMZAGHP-IBGZPJMESA-N 1 1 411.587 2.767 20 0 HFADMO Fc1ccc(I)c(F)c1CNC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000792967715 1078037811 /nfs/dbraw/zinc/03/78/11/1078037811.db2.gz AOQCFDVOGURYKU-MNOVXSKESA-N 1 1 408.230 2.522 20 0 HFADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792982685 1078039971 /nfs/dbraw/zinc/03/99/71/1078039971.db2.gz FZWXEHVSRHWNSE-GJZGRUSLSA-N 1 1 423.355 2.896 20 0 HFADMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N(CCO)Cc1cccnc1Cl ZINC000792981790 1078040272 /nfs/dbraw/zinc/04/02/72/1078040272.db2.gz ZAFGTSROFWZERB-IBGZPJMESA-N 1 1 416.953 2.804 20 0 HFADMO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)CC[N@H+]1C ZINC000792985032 1078040855 /nfs/dbraw/zinc/04/08/55/1078040855.db2.gz JBIDLOTVEHBOES-MISYRCLQSA-N 1 1 402.539 2.817 20 0 HFADMO O=C(NC[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1)OCc1ccccc1 ZINC000792985001 1078040983 /nfs/dbraw/zinc/04/09/83/1078040983.db2.gz MCPGOEWMJMCYQC-RTBURBONSA-N 1 1 400.523 2.571 20 0 HFADMO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)CC[N@H+]1C ZINC000792985029 1078041037 /nfs/dbraw/zinc/04/10/37/1078041037.db2.gz JBIDLOTVEHBOES-HOJAQTOUSA-N 1 1 402.539 2.817 20 0 HFADMO C[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1 ZINC000792986688 1078041078 /nfs/dbraw/zinc/04/10/78/1078041078.db2.gz BSDNIIQQOUCVJL-VQTJNVASSA-N 1 1 402.539 2.676 20 0 HFADMO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000792988554 1078041736 /nfs/dbraw/zinc/04/17/36/1078041736.db2.gz FCIDNFLJCSEHFM-RLLQIKCJSA-N 1 1 414.550 2.960 20 0 HFADMO COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)c2c(Cl)nc3sccn32)cc1 ZINC000790484442 1078042155 /nfs/dbraw/zinc/04/21/55/1078042155.db2.gz UGNWMTGRDJTNMH-ZDUSSCGKSA-N 1 1 414.940 2.639 20 0 HFADMO COc1ccc(CN(CCc2ccccn2)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000792990176 1078042244 /nfs/dbraw/zinc/04/22/44/1078042244.db2.gz QEAPOAOHVHUYGV-GMAHTHKFSA-N 1 1 424.545 2.708 20 0 HFADMO COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)c2c(Cl)nc3ccccn32)cc1 ZINC000790485966 1078042238 /nfs/dbraw/zinc/04/22/38/1078042238.db2.gz ZQOFQHQJRNJEEI-OAHLLOKOSA-N 1 1 408.911 2.578 20 0 HFADMO Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000806239081 1079514880 /nfs/dbraw/zinc/51/48/80/1079514880.db2.gz MXHIAQNNRYBHSY-VXKWHMMOSA-N 1 1 423.561 2.551 20 0 HFADMO CNC(=O)OC[C@H]1CCCCN1C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000806265555 1079529716 /nfs/dbraw/zinc/52/97/16/1079529716.db2.gz OFVHBRSDVNDREX-QFBILLFUSA-N 1 1 404.511 2.822 20 0 HFADMO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]1C ZINC001130586733 1079561316 /nfs/dbraw/zinc/56/13/16/1079561316.db2.gz STBOERPVYBUBEP-SQNIBIBYSA-N 1 1 407.580 2.723 20 0 HFADMO COC(=O)C1(NC(=O)CN2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)CCCCC1 ZINC001170506327 1079573239 /nfs/dbraw/zinc/57/32/39/1079573239.db2.gz CYQGXSKEIAYMFG-UHFFFAOYSA-N 1 1 415.578 2.920 20 0 HFADMO O=C(CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)NCc1ccccc1 ZINC000747324980 1079591933 /nfs/dbraw/zinc/59/19/33/1079591933.db2.gz VCPWRTQJCLQVIL-NRFANRHFSA-N 1 1 419.447 2.874 20 0 HFADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1c2c(sc1-n1cccc1)CSCC2 ZINC000747325256 1079594489 /nfs/dbraw/zinc/59/44/89/1079594489.db2.gz GHHNHEVDWDHBID-CABCVRRESA-N 1 1 403.573 2.921 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1c2c(sc1-n1cccc1)CSCC2 ZINC000747325262 1079594624 /nfs/dbraw/zinc/59/46/24/1079594624.db2.gz GHHNHEVDWDHBID-HUUCEWRRSA-N 1 1 403.573 2.921 20 0 HFADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)CC1 ZINC000806333290 1079603904 /nfs/dbraw/zinc/60/39/04/1079603904.db2.gz NZEKBMJCOXYDCQ-IEGUWTFLSA-N 1 1 424.497 2.664 20 0 HFADMO O=C(NN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)[C@H]1CCCC12OCCO2 ZINC000806345088 1079616925 /nfs/dbraw/zinc/61/69/25/1079616925.db2.gz QSKCTKOIPWCPNJ-JOCHJYFZSA-N 1 1 421.541 2.968 20 0 HFADMO CCCCNC(=O)OC[C@H]1CCCCN1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000806359516 1079647786 /nfs/dbraw/zinc/64/77/86/1079647786.db2.gz BMQLSZHIMNPYDX-CEXWTWQISA-N 1 1 412.575 2.576 20 0 HFADMO C[C@@H](CNC(=O)N1CCCC[C@H]1COC(=O)N(C)C)[N@@H+]1CCc2sccc2C1 ZINC000806436073 1079682532 /nfs/dbraw/zinc/68/25/32/1079682532.db2.gz BILIBAHWGTTYCY-RDJZCZTQSA-N 1 1 408.568 2.757 20 0 HFADMO C[C@@H](CNC(=O)N1CCCC[C@H]1COC(=O)N(C)C)[N@H+]1CCc2sccc2C1 ZINC000806436073 1079682537 /nfs/dbraw/zinc/68/25/37/1079682537.db2.gz BILIBAHWGTTYCY-RDJZCZTQSA-N 1 1 408.568 2.757 20 0 HFADMO C[N@@H+](CCCNC(=O)N1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1)C1CCCCC1 ZINC000806399495 1079687877 /nfs/dbraw/zinc/68/78/77/1079687877.db2.gz PWDALNQMARBAGL-QUCCMNQESA-N 1 1 424.586 2.720 20 0 HFADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000806407043 1079694163 /nfs/dbraw/zinc/69/41/63/1079694163.db2.gz YMRIAMVHAUHZOW-VAMGGRTRSA-N 1 1 424.586 2.720 20 0 HFADMO CCOC(=O)C1CCC(O)(C[C@H](O)C[N@@H+](C)[C@H](CO)c2ccc(Cl)cc2)CC1 ZINC001170508925 1079722505 /nfs/dbraw/zinc/72/25/05/1079722505.db2.gz YHDUSGQOWOJDMQ-CXHBIVLNSA-N 1 1 413.942 2.541 20 0 HFADMO COCC[N@@H+]1CCN(C(=O)c2ccc(C)c(I)c2)C(C)(C)C1 ZINC001130635460 1079724173 /nfs/dbraw/zinc/72/41/73/1079724173.db2.gz AVVKOYJNIMOHLO-UHFFFAOYSA-N 1 1 416.303 2.782 20 0 HFADMO COCC[N@H+]1CCN(C(=O)c2ccc(C)c(I)c2)C(C)(C)C1 ZINC001130635460 1079724183 /nfs/dbraw/zinc/72/41/83/1079724183.db2.gz AVVKOYJNIMOHLO-UHFFFAOYSA-N 1 1 416.303 2.782 20 0 HFADMO CC[N@@H+](CCC1CCN(C(=O)C(=O)NC[C@@H]2CSCCS2)CC1)CC(C)C ZINC000806475709 1079762640 /nfs/dbraw/zinc/76/26/40/1079762640.db2.gz XBXORIOHULKFEK-GOSISDBHSA-N 1 1 415.669 2.558 20 0 HFADMO Cn1[nH]cc2c(=NC(=O)NC[C@H]3CC[N@@H+](C)[C@H]3c3ccc(Cl)c(F)c3)ccnc1-2 ZINC000806483921 1079770613 /nfs/dbraw/zinc/77/06/13/1079770613.db2.gz VQAWNMDPMFWXJG-ACJLOTCBSA-N 1 1 416.888 2.949 20 0 HFADMO COC(=O)[C@@]1(NC(=O)c2cc(C)cc(Cl)n2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001130660745 1079808003 /nfs/dbraw/zinc/80/80/03/1079808003.db2.gz NHFZFNGJYOFACN-OAQYLSRUSA-N 1 1 401.894 2.981 20 0 HFADMO CCC1(CC)NC(=O)N(CC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)C1=O ZINC001130668172 1079818697 /nfs/dbraw/zinc/81/86/97/1079818697.db2.gz DVEZVUIOAAYSDJ-BZSNNMDCSA-N 1 1 414.550 2.607 20 0 HFADMO C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCCc2ccc(Cl)nc2)[C@H]1c1cccs1 ZINC000806596510 1079837980 /nfs/dbraw/zinc/83/79/80/1079837980.db2.gz YHZUNNGFJISILQ-QAPCUYQASA-N 1 1 420.966 2.655 20 0 HFADMO O=C(N1CC[C@H]2NC(=O)CC[C@@H]2C1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001130690245 1079851652 /nfs/dbraw/zinc/85/16/52/1079851652.db2.gz KPXRPGILOAGOSC-HLIPFELVSA-N 1 1 409.452 2.568 20 0 HFADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)cc1 ZINC000806728311 1079951856 /nfs/dbraw/zinc/95/18/56/1079951856.db2.gz KEGWFDZXISISON-INIZCTEOSA-N 1 1 420.513 2.902 20 0 HFADMO CC(C)(O)c1ccc(CNC(=O)C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000806729520 1079952507 /nfs/dbraw/zinc/95/25/07/1079952507.db2.gz PALHCWVBKIAHDA-UHFFFAOYSA-N 1 1 415.578 2.645 20 0 HFADMO Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001130732683 1079969769 /nfs/dbraw/zinc/96/97/69/1079969769.db2.gz AVLQKTPYDYVSPR-IMRHEYAYSA-N 1 1 410.562 2.717 20 0 HFADMO C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ccc(OCCC[NH+]2CCN(C)CC2)cc1 ZINC001130742252 1080006085 /nfs/dbraw/zinc/00/60/85/1080006085.db2.gz PCUNWGUPKDQNHH-SIKLNZKXSA-N 1 1 419.566 2.616 20 0 HFADMO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)CCC2 ZINC000806788332 1080009569 /nfs/dbraw/zinc/00/95/69/1080009569.db2.gz UBQMENLTZZYYSC-FUHWJXTLSA-N 1 1 404.580 2.858 20 0 HFADMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000806789110 1080010682 /nfs/dbraw/zinc/01/06/82/1080010682.db2.gz MMSQUPIKXMHGIX-UFYCRDLUSA-N 1 1 417.550 2.607 20 0 HFADMO O=C(NC1CCCCC1)OC[C@H]1CCCCN1C(=O)NCC[NH+]1CCSCC1 ZINC000806795226 1080015130 /nfs/dbraw/zinc/01/51/30/1080015130.db2.gz SBIPYROWKVGIMC-GOSISDBHSA-N 1 1 412.600 2.658 20 0 HFADMO C[C@H](O)C[NH+]1CCN(C(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000806804819 1080022251 /nfs/dbraw/zinc/02/22/51/1080022251.db2.gz PMBPWENLKVPOQO-HKUYNNGSSA-N 1 1 419.566 2.804 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)Nc1cccc(C(C)(C)O)c1)C1CC1 ZINC000806985147 1080197328 /nfs/dbraw/zinc/19/73/28/1080197328.db2.gz BUGNRAPOOJPZOM-OAQYLSRUSA-N 1 1 409.530 2.879 20 0 HFADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000807037833 1080227550 /nfs/dbraw/zinc/22/75/50/1080227550.db2.gz DDFZWQSZDYGGRL-OAQYLSRUSA-N 1 1 412.534 2.934 20 0 HFADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)c3c(C)nc(C(C)C)[nH]c3=O)cc2)CC1 ZINC000747370971 1080246492 /nfs/dbraw/zinc/24/64/92/1080246492.db2.gz VGQSMOWJDSJSGM-UHFFFAOYSA-N 1 1 411.506 2.644 20 0 HFADMO CN(C(=O)c1cc(Br)ncc1Cl)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000807071469 1080254614 /nfs/dbraw/zinc/25/46/14/1080254614.db2.gz KQMQPAQEHOQHTA-ZDUSSCGKSA-N 1 1 415.763 2.738 20 0 HFADMO CN(C(=O)c1cc(Br)ncc1Cl)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000807071469 1080254620 /nfs/dbraw/zinc/25/46/20/1080254620.db2.gz KQMQPAQEHOQHTA-ZDUSSCGKSA-N 1 1 415.763 2.738 20 0 HFADMO NC(=O)c1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc1Cl ZINC000807086011 1080262110 /nfs/dbraw/zinc/26/21/10/1080262110.db2.gz PAQJZLNRWDSWNL-QFBILLFUSA-N 1 1 412.921 2.961 20 0 HFADMO NC(=O)c1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc1Cl ZINC000807086010 1080262173 /nfs/dbraw/zinc/26/21/73/1080262173.db2.gz PAQJZLNRWDSWNL-LPHOPBHVSA-N 1 1 412.921 2.961 20 0 HFADMO CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000807092872 1080271874 /nfs/dbraw/zinc/27/18/74/1080271874.db2.gz XTQYEMJCNKKKJV-FQEVSTJZSA-N 1 1 401.551 2.603 20 0 HFADMO C[C@@H]1C[C@@H](CCNC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000807150952 1080308388 /nfs/dbraw/zinc/30/83/88/1080308388.db2.gz VLHMNBLNNQAUNZ-KBAYOESNSA-N 1 1 411.468 2.957 20 0 HFADMO CNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000807151672 1080310261 /nfs/dbraw/zinc/31/02/61/1080310261.db2.gz GDOFZGZLTGLBER-DENIHFKCSA-N 1 1 402.539 2.961 20 0 HFADMO C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)[C@@H]3CCCC34OCCO4)cc2)C[C@H]1C ZINC000807193433 1080343113 /nfs/dbraw/zinc/34/31/13/1080343113.db2.gz QYXARTVRPKIIPZ-JQVVWYNYSA-N 1 1 416.562 2.855 20 0 HFADMO CNC(=O)CC[C@H]1CCCCN1C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000807204116 1080350361 /nfs/dbraw/zinc/35/03/61/1080350361.db2.gz VSMOBODFIWLVMX-OFNKIYASSA-N 1 1 400.567 2.989 20 0 HFADMO COc1ccc(C2=NO[C@H](CNC(=O)N3CC[N@H+](C)[C@H](Cc4ccccc4)C3)C2)cc1 ZINC000807214248 1080367064 /nfs/dbraw/zinc/36/70/64/1080367064.db2.gz LSLCRVDIPFWQSG-IRLDBZIGSA-N 1 1 422.529 2.757 20 0 HFADMO COc1ccc(C2=NO[C@H](CNC(=O)N3CC[N@@H+](C)[C@H](Cc4ccccc4)C3)C2)cc1 ZINC000807214248 1080367087 /nfs/dbraw/zinc/36/70/87/1080367087.db2.gz LSLCRVDIPFWQSG-IRLDBZIGSA-N 1 1 422.529 2.757 20 0 HFADMO NC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1Cl ZINC000807225137 1080384645 /nfs/dbraw/zinc/38/46/45/1080384645.db2.gz CAPFAOVJLCSVNL-RYQLBKOJSA-N 1 1 412.921 2.864 20 0 HFADMO COCC1(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000807268164 1080419885 /nfs/dbraw/zinc/41/98/85/1080419885.db2.gz MUSIOPDNUQXIRG-GOSISDBHSA-N 1 1 424.586 2.528 20 0 HFADMO C[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCc4c3cccc4F)cc2Cl)CC1 ZINC000807278609 1080436197 /nfs/dbraw/zinc/43/61/97/1080436197.db2.gz VZMYTKTWJGOMQO-UHFFFAOYSA-N 1 1 416.884 2.759 20 0 HFADMO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CSc1n[nH]c(=S)s1 ZINC000747387169 1080459846 /nfs/dbraw/zinc/45/98/46/1080459846.db2.gz YHAGZCUSALKBCR-CQSZACIVSA-N 1 1 409.606 2.827 20 0 HFADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CSc1n[nH]c(=S)s1 ZINC000747387169 1080459849 /nfs/dbraw/zinc/45/98/49/1080459849.db2.gz YHAGZCUSALKBCR-CQSZACIVSA-N 1 1 409.606 2.827 20 0 HFADMO O=C(NCCC1N=NC(=S)N1C1CC1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000747386789 1080460373 /nfs/dbraw/zinc/46/03/73/1080460373.db2.gz QMOQDGJGNYYLLC-KRWDZBQOSA-N 1 1 403.527 2.754 20 0 HFADMO O=C(NCCC1N=NC(=S)N1C1CC1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000747386789 1080460380 /nfs/dbraw/zinc/46/03/80/1080460380.db2.gz QMOQDGJGNYYLLC-KRWDZBQOSA-N 1 1 403.527 2.754 20 0 HFADMO COc1ccc(Cl)cc1C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000807313155 1080506151 /nfs/dbraw/zinc/50/61/51/1080506151.db2.gz XTJIHHSFDPXDDQ-UHFFFAOYSA-N 1 1 402.878 2.850 20 0 HFADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)[C@H](C)C1 ZINC000807319156 1080512570 /nfs/dbraw/zinc/51/25/70/1080512570.db2.gz UGBOQQAWRYAXDA-OAHLLOKOSA-N 1 1 404.511 2.833 20 0 HFADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)[C@H](C)C1 ZINC000807319156 1080512575 /nfs/dbraw/zinc/51/25/75/1080512575.db2.gz UGBOQQAWRYAXDA-OAHLLOKOSA-N 1 1 404.511 2.833 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000807394334 1080560700 /nfs/dbraw/zinc/56/07/00/1080560700.db2.gz JJOUNEVVVALIFU-INIZCTEOSA-N 1 1 424.998 2.822 20 0 HFADMO Cc1ccc(NC(=O)C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)c(Br)n1 ZINC000807413303 1080608818 /nfs/dbraw/zinc/60/88/18/1080608818.db2.gz JPCOCQKBRDQYHT-UHFFFAOYSA-N 1 1 423.311 2.665 20 0 HFADMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC[C@](C)(O)c1ccccc1 ZINC000807500292 1080696914 /nfs/dbraw/zinc/69/69/14/1080696914.db2.gz VHNXYCPRLLSENK-CPJSRVTESA-N 1 1 423.557 2.523 20 0 HFADMO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1 ZINC000807513471 1080720294 /nfs/dbraw/zinc/72/02/94/1080720294.db2.gz CHZAJJJDCAYGSF-FDDCHVKYSA-N 1 1 412.534 2.792 20 0 HFADMO COC(=O)CCc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000807543081 1080758772 /nfs/dbraw/zinc/75/87/72/1080758772.db2.gz IQNWHOLAQNIUCW-LAUBAEHRSA-N 1 1 423.513 2.510 20 0 HFADMO CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000807543694 1080760228 /nfs/dbraw/zinc/76/02/28/1080760228.db2.gz RGHQNAZGGRWRSO-OXJNMPFZSA-N 1 1 424.501 2.973 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000807547091 1080763422 /nfs/dbraw/zinc/76/34/22/1080763422.db2.gz XBNNWQBTNHFTAA-GQWLDOHISA-N 1 1 411.933 2.560 20 0 HFADMO CN(C)c1[nH+]cnc2c1cc(C(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1)n2C ZINC000747401775 1080764349 /nfs/dbraw/zinc/76/43/49/1080764349.db2.gz DDKALFYXSKDJKX-UHFFFAOYSA-N 1 1 416.526 2.600 20 0 HFADMO COC(=O)N1CCC(CNC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000807525835 1080778696 /nfs/dbraw/zinc/77/86/96/1080778696.db2.gz UZCHEGDOWWOBND-UHFFFAOYSA-N 1 1 402.539 2.771 20 0 HFADMO CCc1cc(NC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(-c3ccc(F)cc3)c2)nc(C)[nH+]1 ZINC000328606050 571309753 /nfs/dbraw/zinc/30/97/53/571309753.db2.gz QEEPSFRQJMGEGK-OYHNWAKOSA-N 1 1 408.481 3.304 20 0 HFADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3CC(F)(F)[C@H]3C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164406910 718869947 /nfs/dbraw/zinc/86/99/47/718869947.db2.gz HTVWLGQATHEFFB-VYDXJSESSA-N 1 1 422.520 2.972 20 0 HFADMO CCc1cc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc(N2CCOCC2)n1 ZINC001164627349 719087975 /nfs/dbraw/zinc/08/79/75/719087975.db2.gz JWMYVLMFORBUAT-IFMALSPDSA-N 1 1 407.562 2.976 20 0 HFADMO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001164654555 719317970 /nfs/dbraw/zinc/31/79/70/719317970.db2.gz RSWJBLOKJIVIHM-ZDUSSCGKSA-N 1 1 420.945 2.808 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(-c3cccnc3)nc3ccccc31)CC2 ZINC001164689367 719739602 /nfs/dbraw/zinc/73/96/02/719739602.db2.gz CXWPSWSTDWCNII-UHFFFAOYSA-N 1 1 416.529 2.873 20 0 HFADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2ccc(Cl)cc21 ZINC001164704682 719844723 /nfs/dbraw/zinc/84/47/23/719844723.db2.gz SIKGYQNPWWCJRD-QRWLVFNGSA-N 1 1 404.898 2.516 20 0 HFADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2cc(C)ccc21 ZINC001164706726 719855398 /nfs/dbraw/zinc/85/53/98/719855398.db2.gz YPYXPLGWTNIBHL-VFNWGFHPSA-N 1 1 418.925 2.824 20 0 HFADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(F)cc2ncnc(Cl)c21 ZINC001164706081 719864438 /nfs/dbraw/zinc/86/44/38/719864438.db2.gz OREHEAQBPFKDBM-XOBRGWDASA-N 1 1 422.888 2.655 20 0 HFADMO NC(=O)c1cc(Cl)cnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164694741 719887395 /nfs/dbraw/zinc/88/73/95/719887395.db2.gz DUBBNZJYADZZEJ-UHFFFAOYSA-N 1 1 406.939 2.767 20 0 HFADMO CCNC(=O)c1cccnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164697614 719895126 /nfs/dbraw/zinc/89/51/26/719895126.db2.gz LYSNUMCPYVXPRW-UHFFFAOYSA-N 1 1 400.548 2.764 20 0 HFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc(N)n1)CC2 ZINC001164712544 720092576 /nfs/dbraw/zinc/09/25/76/720092576.db2.gz WXFUPEZCHCZWNM-MRXNPFEDSA-N 1 1 402.930 2.615 20 0 HFADMO COCc1cc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc(C)n1 ZINC001164718005 720114539 /nfs/dbraw/zinc/11/45/39/720114539.db2.gz PXWPYATZELQUNH-OAQYLSRUSA-N 1 1 411.550 2.834 20 0 HFADMO CCn1cnc2c1ncnc2N1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164710453 720142855 /nfs/dbraw/zinc/14/28/55/720142855.db2.gz BQBIOQIRXQKFAS-IBGZPJMESA-N 1 1 421.549 2.749 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c(Cl)ncnc31)C2 ZINC001164817166 720188339 /nfs/dbraw/zinc/18/83/39/720188339.db2.gz OJIOFZOVWAQHFR-DJJJIMSYSA-N 1 1 423.348 2.911 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc4cc(F)ccc43)C2)C1 ZINC001164717857 720212033 /nfs/dbraw/zinc/21/20/33/720212033.db2.gz JSHLYOVCXDYRKX-OAQYLSRUSA-N 1 1 420.916 2.692 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc4cc(F)ccc43)C2)C1 ZINC001164717857 720212039 /nfs/dbraw/zinc/21/20/39/720212039.db2.gz JSHLYOVCXDYRKX-OAQYLSRUSA-N 1 1 420.916 2.692 20 0 HFADMO Cc1nc2ccc(F)cc2c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164814773 720217527 /nfs/dbraw/zinc/21/75/27/720217527.db2.gz YYGOUKYOUCAAAF-UHFFFAOYSA-N 1 1 410.497 2.885 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc4ccc(F)cc43)C2)C1 ZINC001164717217 720230891 /nfs/dbraw/zinc/23/08/91/720230891.db2.gz GPYXPUNIUDPISP-OAQYLSRUSA-N 1 1 420.916 2.692 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc4ccc(F)cc43)C2)C1 ZINC001164717217 720230899 /nfs/dbraw/zinc/23/08/99/720230899.db2.gz GPYXPUNIUDPISP-OAQYLSRUSA-N 1 1 420.916 2.692 20 0 HFADMO CCc1nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c(Cl)nc1C ZINC001164816362 720245037 /nfs/dbraw/zinc/24/50/37/720245037.db2.gz IINXEAZHBWNQAU-UHFFFAOYSA-N 1 1 404.946 2.808 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C(C)C)nc(C(C)(C)C)n3)C2)C1 ZINC001164720776 720296047 /nfs/dbraw/zinc/29/60/47/720296047.db2.gz DREBVDXFHHOHFB-HSZRJFAPSA-N 1 1 417.598 2.562 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(C(C)C)nc(C(C)(C)C)n3)C2)C1 ZINC001164720776 720296061 /nfs/dbraw/zinc/29/60/61/720296061.db2.gz DREBVDXFHHOHFB-HSZRJFAPSA-N 1 1 417.598 2.562 20 0 HFADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)n1 ZINC001164721945 720303459 /nfs/dbraw/zinc/30/34/59/720303459.db2.gz JCVHRQMMQCYHKR-BTYIYWSLSA-N 1 1 423.989 2.617 20 0 HFADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)n1 ZINC001164721945 720303465 /nfs/dbraw/zinc/30/34/65/720303465.db2.gz JCVHRQMMQCYHKR-BTYIYWSLSA-N 1 1 423.989 2.617 20 0 HFADMO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164735127 720414682 /nfs/dbraw/zinc/41/46/82/720414682.db2.gz WGISKLJWYAHQCB-VQTJNVASSA-N 1 1 409.534 2.807 20 0 HFADMO Cc1cccc2cc[nH+]c(N3Cc4ncn(C)c4[C@H](COCCN4CCOCC4)C3)c12 ZINC001164832581 720476112 /nfs/dbraw/zinc/47/61/12/720476112.db2.gz JTZQQGIGSZYROG-FQEVSTJZSA-N 1 1 421.545 2.729 20 0 HFADMO C[N@@H+](Cc1ccc(N2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCCCC3)C2)nc1)C1CC1 ZINC001164836103 720502297 /nfs/dbraw/zinc/50/22/97/720502297.db2.gz MOPAABMQBZAFMU-FCEUIQTBSA-N 1 1 412.578 2.920 20 0 HFADMO Cc1cc(N2CCCC2)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164840659 720505008 /nfs/dbraw/zinc/50/50/08/720505008.db2.gz XESCOAQDZAFRQD-NJDAHSKKSA-N 1 1 409.582 2.960 20 0 HFADMO Cc1cc(N2CCCC2)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164840659 720505010 /nfs/dbraw/zinc/50/50/10/720505010.db2.gz XESCOAQDZAFRQD-NJDAHSKKSA-N 1 1 409.582 2.960 20 0 HFADMO Cc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1N1CCCC1 ZINC001164836554 720505234 /nfs/dbraw/zinc/50/52/34/720505234.db2.gz NESCFYGSAYGFBB-QHAWAJNXSA-N 1 1 409.582 2.960 20 0 HFADMO CSc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164832795 720523711 /nfs/dbraw/zinc/52/37/11/720523711.db2.gz BKNVRJMFMVCRLV-QLFBSQMISA-N 1 1 407.975 2.821 20 0 HFADMO CCOC(=O)c1cncc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164839784 720687932 /nfs/dbraw/zinc/68/79/32/720687932.db2.gz BRQDXRISPXYBDD-LJQANCHMSA-N 1 1 410.518 2.913 20 0 HFADMO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742038 720698220 /nfs/dbraw/zinc/69/82/20/720698220.db2.gz VMOJGFPXNXVFEB-CHWSQXEVSA-N 1 1 420.851 2.893 20 0 HFADMO CON(C)C(=O)c1ccnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164838294 720718650 /nfs/dbraw/zinc/71/86/50/720718650.db2.gz HUBNLCQCALVUFI-OAQYLSRUSA-N 1 1 424.545 2.975 20 0 HFADMO c1ccc(COc2cccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164739891 720738587 /nfs/dbraw/zinc/73/85/87/720738587.db2.gz JIZBLHGHFYNIBJ-UXHICEINSA-N 1 1 403.486 2.793 20 0 HFADMO Fc1cccc(Oc2ccnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)c1 ZINC001164743394 720744127 /nfs/dbraw/zinc/74/41/27/720744127.db2.gz PUVJDUXGSVDJIL-SJLPKXTDSA-N 1 1 408.437 2.540 20 0 HFADMO Clc1ccc2[nH]c3ncnc(N4CC[N@H+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)c3c2c1 ZINC001164741597 720749780 /nfs/dbraw/zinc/74/97/80/720749780.db2.gz MTTDGQYHUYGZES-GJZGRUSLSA-N 1 1 421.892 2.896 20 0 HFADMO CC(C)(C)OC(=O)Nc1ccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164746969 720752287 /nfs/dbraw/zinc/75/22/87/720752287.db2.gz ZKGSCFLIRWKEEU-IRXDYDNUSA-N 1 1 412.494 2.561 20 0 HFADMO Fc1ccc(Oc2ccnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164744196 720778620 /nfs/dbraw/zinc/77/86/20/720778620.db2.gz RLYWDXUQIXEWSH-AEFFLSMTSA-N 1 1 408.437 2.540 20 0 HFADMO Fc1ccc(COc2cccnc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164740419 720779046 /nfs/dbraw/zinc/77/90/46/720779046.db2.gz LAVYIEBHFDFSSJ-PMACEKPBSA-N 1 1 421.476 2.932 20 0 HFADMO Clc1nc2c(c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n1)CCC2 ZINC001164740760 720815145 /nfs/dbraw/zinc/81/51/45/720815145.db2.gz AJANACRMBIHCEP-FRQCXROJSA-N 1 1 413.957 2.590 20 0 HFADMO Fc1ccc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164752081 720815193 /nfs/dbraw/zinc/81/51/93/720815193.db2.gz YOBWCKPYXBVGNM-PLMTUMEDSA-N 1 1 407.497 2.740 20 0 HFADMO Clc1ccc2c(ncnc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164742098 720816187 /nfs/dbraw/zinc/81/61/87/720816187.db2.gz PUBJANSCYPEJBY-JFIYKMOQSA-N 1 1 424.940 2.649 20 0 HFADMO F[C@H](Oc1ccnc(Cl)c1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743286 720820288 /nfs/dbraw/zinc/82/02/88/720820288.db2.gz RXDBXICLPVFXLK-CIWUYKSXSA-N 1 1 420.920 2.833 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@@H](C(=O)N4CCCO4)CC[C@@H]32)nc1 ZINC001164847288 720822937 /nfs/dbraw/zinc/82/29/37/720822937.db2.gz IRMUWUIIWCKSDT-IVAOSVALSA-N 1 1 414.550 2.919 20 0 HFADMO c1coc(-c2cnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cn2)c1 ZINC001164745564 720824564 /nfs/dbraw/zinc/82/45/64/720824564.db2.gz WTZCKCQNAOOEDA-QWFCFKBJSA-N 1 1 405.506 2.708 20 0 HFADMO Clc1nnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2ncccc12 ZINC001164740130 720829636 /nfs/dbraw/zinc/82/96/36/720829636.db2.gz JCLFYHCVSHXCEP-JFIYKMOQSA-N 1 1 424.940 2.649 20 0 HFADMO Cc1ccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ncc2c1 ZINC001164742133 720831507 /nfs/dbraw/zinc/83/15/07/720831507.db2.gz PYSHHNPGUMOCCQ-RZUBCFFCSA-N 1 1 403.534 2.909 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(Cl)cc4)nn3)CC[C@H]2C1 ZINC001164854232 720839007 /nfs/dbraw/zinc/83/90/07/720839007.db2.gz QFWWWDQWCYFNSN-FXAWDEMLSA-N 1 1 402.926 2.971 20 0 HFADMO Fc1cnc2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1 ZINC001164745242 720842495 /nfs/dbraw/zinc/84/24/95/720842495.db2.gz NBFFSRRYOVTPLG-PLMTUMEDSA-N 1 1 407.497 2.740 20 0 HFADMO FC(F)(c1nccnc1Cl)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743621 720843313 /nfs/dbraw/zinc/84/33/13/720843313.db2.gz JQHFXFZMCLEYEX-BZUAXINKSA-N 1 1 423.899 2.646 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3cc(Cl)nc(Cc4ccccc4)n3)CC[C@H]2C1 ZINC001164849294 720849747 /nfs/dbraw/zinc/84/97/47/720849747.db2.gz BYGQOCCNFUFBRU-OALUTQOASA-N 1 1 416.953 2.894 20 0 HFADMO c1ncn(C[C@H]2C[C@@H]3CN(c4ccc(-c5ccccn5)nn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746119 720852277 /nfs/dbraw/zinc/85/22/77/720852277.db2.gz FSIBXMAHTSYCMV-WOIUINJBSA-N 1 1 416.533 2.510 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3cccc(-c4cccc(Cl)n4)n3)CC[C@H]2C1 ZINC001164854995 720855932 /nfs/dbraw/zinc/85/59/32/720855932.db2.gz LYKHEWWKABUVQL-QFBILLFUSA-N 1 1 402.926 2.971 20 0 HFADMO c1csc(-c2nccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)n1 ZINC001164750208 720859630 /nfs/dbraw/zinc/85/96/30/720859630.db2.gz ORJVDCWPOHKZAB-FGTMMUONSA-N 1 1 422.562 2.571 20 0 HFADMO COc1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755742 720871686 /nfs/dbraw/zinc/87/16/86/720871686.db2.gz YOYZWJXIUDCECM-NZQKXSOJSA-N 1 1 409.534 2.635 20 0 HFADMO CN(C)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164748033 720872392 /nfs/dbraw/zinc/87/23/92/720872392.db2.gz DMUQVXCOEWWDEW-URXFXBBRSA-N 1 1 422.577 2.693 20 0 HFADMO COc1cncc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747250 720877430 /nfs/dbraw/zinc/87/74/30/720877430.db2.gz AXYMUADAKMDMTL-NFBKMPQASA-N 1 1 409.534 2.635 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(-c4cccc(Cl)c4)ncn3)CC[C@@H]2C1 ZINC001164863836 720879224 /nfs/dbraw/zinc/87/92/24/720879224.db2.gz UUPAQJHLLIMHGY-YLJYHZDGSA-N 1 1 402.926 2.971 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3ncc(Cl)nc3-c3ccccc3)CC[C@H]2C1 ZINC001164860448 720881361 /nfs/dbraw/zinc/88/13/61/720881361.db2.gz ONSXUNMIEFICFJ-ROUUACIJSA-N 1 1 402.926 2.971 20 0 HFADMO COCc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164746508 720932955 /nfs/dbraw/zinc/93/29/55/720932955.db2.gz BFAGEHGYUOAXQM-QPPBQGQZSA-N 1 1 423.561 2.773 20 0 HFADMO Clc1nc2c(c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n1)CSCC2 ZINC001164866312 721057559 /nfs/dbraw/zinc/05/75/59/721057559.db2.gz DVIBEAZVDBTLFF-JKSUJKDBSA-N 1 1 417.966 2.794 20 0 HFADMO CC1(C)OCc2c1nc(Cl)nc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869986 721070059 /nfs/dbraw/zinc/07/00/59/721070059.db2.gz VBMQSTVLWWXUJI-HZPDHXFCSA-N 1 1 415.925 2.770 20 0 HFADMO Clc1nc2c(c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n1)SCC2 ZINC001164870611 721074316 /nfs/dbraw/zinc/07/43/16/721074316.db2.gz WKXGQVMXGXSYNW-CABCVRRESA-N 1 1 403.939 2.653 20 0 HFADMO CCOC(=O)c1c(C)nc(Cl)cc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164771390 721107733 /nfs/dbraw/zinc/10/77/33/721107733.db2.gz SNEAYXHVNJRNER-DLBZAZTESA-N 1 1 417.941 2.912 20 0 HFADMO CCCN(CCC)c1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ncn1 ZINC001164862805 721115676 /nfs/dbraw/zinc/11/56/76/721115676.db2.gz AOODYIRWYNSRKB-RTWAWAEBSA-N 1 1 410.566 2.978 20 0 HFADMO CSc1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(SC)n1 ZINC001164869310 721189037 /nfs/dbraw/zinc/18/90/37/721189037.db2.gz QFSBUMNRRDXWGD-JKSUJKDBSA-N 1 1 403.577 2.795 20 0 HFADMO CC1CCN(C(=O)c2cccnc2N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)CC1 ZINC001164762016 721197036 /nfs/dbraw/zinc/19/70/36/721197036.db2.gz BWGUPPDVXOLJRH-RTWAWAEBSA-N 1 1 422.577 2.646 20 0 HFADMO C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)nc2)C1 ZINC001164769383 721197064 /nfs/dbraw/zinc/19/70/64/721197064.db2.gz MFFUUSJVAPAYIA-COPCDDAFSA-N 1 1 422.577 2.646 20 0 HFADMO COc1cccc(-c2ccc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nn2)c1 ZINC001164770857 721201168 /nfs/dbraw/zinc/20/11/68/721201168.db2.gz OXKNBECRBASROB-VQTJNVASSA-N 1 1 404.518 2.844 20 0 HFADMO COc1cc2cnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)cc2cc1OC ZINC001164768274 721211450 /nfs/dbraw/zinc/21/14/50/721211450.db2.gz KTLMBUKOWLTPOF-PXNSSMCTSA-N 1 1 407.518 2.944 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@@]2(C1)C[C@H](NC(=O)c1cnccn1)CCO2 ZINC001164870751 721216786 /nfs/dbraw/zinc/21/67/86/721216786.db2.gz HNSJMAIKESICEZ-IERDGZPVSA-N 1 1 415.925 2.814 20 0 HFADMO Cc1nc(-c2ccncc2)nc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1C ZINC001164768432 721220013 /nfs/dbraw/zinc/22/00/13/721220013.db2.gz KZSKSDTVVNTGNB-NHCUHLMSSA-N 1 1 403.534 2.847 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)C[C@H]3C2)cn1 ZINC001164766911 721223117 /nfs/dbraw/zinc/22/31/17/721223117.db2.gz JOMPDWPEWUYJMY-VQTJNVASSA-N 1 1 415.545 2.719 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)C[C@H]3C2)cn1 ZINC001164766219 721231543 /nfs/dbraw/zinc/23/15/43/721231543.db2.gz SZDKMCBRVXITPL-RBUKOAKNSA-N 1 1 405.506 2.701 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc(C(N)=S)c5ccsc54)C[C@H]3C2)cn1 ZINC001164769743 721245758 /nfs/dbraw/zinc/24/57/58/721245758.db2.gz ZMABCSGZNPCXIK-LSDHHAIUSA-N 1 1 412.588 2.622 20 0 HFADMO C[N@@H+](Cc1ccc(N2Cc3cncn3C[C@@H](COc3cccnc3)C2)nc1)C1CC1 ZINC001164768140 721275197 /nfs/dbraw/zinc/27/51/97/721275197.db2.gz KMXWTDVZCLVRON-IBGZPJMESA-N 1 1 404.518 2.983 20 0 HFADMO Cc1cc2c(ncnc2N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)[nH]1 ZINC001164776675 721344069 /nfs/dbraw/zinc/34/40/69/721344069.db2.gz CBKJLFXMULDSOD-JOCHJYFZSA-N 1 1 410.522 2.990 20 0 HFADMO CCOc1cnc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164779376 721344285 /nfs/dbraw/zinc/34/42/85/721344285.db2.gz SVCHUNBCQMRHMN-NRFANRHFSA-N 1 1 401.511 2.599 20 0 HFADMO CCOc1cnc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164779376 721344289 /nfs/dbraw/zinc/34/42/89/721344289.db2.gz SVCHUNBCQMRHMN-NRFANRHFSA-N 1 1 401.511 2.599 20 0 HFADMO COc1nc(C)cc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164780014 721350362 /nfs/dbraw/zinc/35/03/62/721350362.db2.gz YHIKWCHNHWEWGC-OAQYLSRUSA-N 1 1 401.511 2.517 20 0 HFADMO COCOc1ccc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164779066 721352650 /nfs/dbraw/zinc/35/26/50/721352650.db2.gz QCFMSXRUKFAIRA-JOCHJYFZSA-N 1 1 416.522 2.788 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(Cl)c[n+]3[O-])C2)C1 ZINC001164780266 721364220 /nfs/dbraw/zinc/36/42/20/721364220.db2.gz FGIXBELCNAGDKX-HXUWFJFHSA-N 1 1 406.914 2.697 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(Cl)c[n+]3[O-])C2)C1 ZINC001164780266 721364226 /nfs/dbraw/zinc/36/42/26/721364226.db2.gz FGIXBELCNAGDKX-HXUWFJFHSA-N 1 1 406.914 2.697 20 0 HFADMO CSc1cncc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164786131 721370087 /nfs/dbraw/zinc/37/00/87/721370087.db2.gz WLRDLRYOGUYMKF-FQEVSTJZSA-N 1 1 403.552 2.922 20 0 HFADMO CSc1cncc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164786131 721370091 /nfs/dbraw/zinc/37/00/91/721370091.db2.gz WLRDLRYOGUYMKF-FQEVSTJZSA-N 1 1 403.552 2.922 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5ccccc5)nn4)C3)O2)CC1 ZINC001164889206 721391742 /nfs/dbraw/zinc/39/17/42/721391742.db2.gz KXLOLHOPNWCCHS-XUZZJYLKSA-N 1 1 407.562 2.909 20 0 HFADMO Cc1nc2ccc(F)cc2c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164892895 721397724 /nfs/dbraw/zinc/39/77/24/721397724.db2.gz UIHRAMXPORDVIZ-AUSIDOKSSA-N 1 1 413.541 2.843 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(C5CC5)n4)C3)O2)CC1 ZINC001164883489 721414349 /nfs/dbraw/zinc/41/43/49/721414349.db2.gz ACSPWRQXUHEJSN-UTKZUKDTSA-N 1 1 405.974 2.773 20 0 HFADMO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164785499 721420377 /nfs/dbraw/zinc/42/03/77/721420377.db2.gz MVBMNWFESUFWPH-HUUCEWRRSA-N 1 1 415.563 2.583 20 0 HFADMO C=Cc1nc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1OC ZINC001164897730 721430850 /nfs/dbraw/zinc/43/08/50/721430850.db2.gz UPNCNGZYRQYHPK-HRAATJIYSA-N 1 1 421.973 2.547 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3c(n1)CCCN3)CC2 ZINC001164784502 721459645 /nfs/dbraw/zinc/45/96/45/721459645.db2.gz INICLVBSCACTNC-IBGZPJMESA-N 1 1 415.582 2.569 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)nc(OC)n1)CC2 ZINC001164788490 721460055 /nfs/dbraw/zinc/46/00/55/721460055.db2.gz SXESHUREOZMYCW-IBGZPJMESA-N 1 1 404.555 2.528 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(OCOC)cn1)CC2 ZINC001164787794 721460373 /nfs/dbraw/zinc/46/03/73/721460373.db2.gz SJHCLPSLDXMNTB-HXUWFJFHSA-N 1 1 419.566 2.798 20 0 HFADMO COC(=O)c1ccc2cnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc2c1 ZINC001164900733 721517200 /nfs/dbraw/zinc/51/72/00/721517200.db2.gz UNAWGNXOIBQQFE-AZUAARDMSA-N 1 1 422.460 2.897 20 0 HFADMO COC(=O)c1ccc2cnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2c1 ZINC001164900740 721517273 /nfs/dbraw/zinc/51/72/73/721517273.db2.gz UNAWGNXOIBQQFE-QUCCMNQESA-N 1 1 422.460 2.897 20 0 HFADMO CCOC(=O)c1ccc(C)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164794474 721523933 /nfs/dbraw/zinc/52/39/33/721523933.db2.gz DTMYILJUYIAZBM-HKBOAZHASA-N 1 1 410.518 2.830 20 0 HFADMO COC(=O)c1cccc2nc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)ncc21 ZINC001164900684 721524469 /nfs/dbraw/zinc/52/44/69/721524469.db2.gz SYOQONIEYZQGEO-WMZOPIPTSA-N 1 1 422.460 2.897 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)N2CCCC2)[C@H]2CCCO[C@@H]12 ZINC001164795642 721525080 /nfs/dbraw/zinc/52/50/80/721525080.db2.gz PZYWEDJQTWMPEE-BHDDXSALSA-N 1 1 421.545 2.581 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)N2CCCC2)[C@H]2CCCO[C@@H]12 ZINC001164795642 721525083 /nfs/dbraw/zinc/52/50/83/721525083.db2.gz PZYWEDJQTWMPEE-BHDDXSALSA-N 1 1 421.545 2.581 20 0 HFADMO Cc1nc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2[nH]1 ZINC001164900307 721525336 /nfs/dbraw/zinc/52/53/36/721525336.db2.gz PZPADVBJMMMMPU-ZFWWWQNUSA-N 1 1 402.861 2.796 20 0 HFADMO Cc1nc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2[nH]1 ZINC001164900305 721525379 /nfs/dbraw/zinc/52/53/79/721525379.db2.gz PZPADVBJMMMMPU-HIFRSBDPSA-N 1 1 402.861 2.796 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nccc(Cl)n2)[C@@H]2CCCO[C@H]12 ZINC001164804573 721533364 /nfs/dbraw/zinc/53/33/64/721533364.db2.gz KLIOOCSOGBGAIJ-INMHGKMJSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nccc(Cl)n2)[C@@H]2CCCO[C@H]12 ZINC001164804573 721533365 /nfs/dbraw/zinc/53/33/65/721533365.db2.gz KLIOOCSOGBGAIJ-INMHGKMJSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nn2)[C@@H]2CCCO[C@H]12 ZINC001164802447 721537373 /nfs/dbraw/zinc/53/73/73/721537373.db2.gz GJCQXZUGHVWSTC-RKVPGOIHSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nn2)[C@@H]2CCCO[C@H]12 ZINC001164802447 721537378 /nfs/dbraw/zinc/53/73/78/721537378.db2.gz GJCQXZUGHVWSTC-RKVPGOIHSA-N 1 1 409.868 2.938 20 0 HFADMO COc1ccc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2c1 ZINC001164804595 721538849 /nfs/dbraw/zinc/53/88/49/721538849.db2.gz KQADMQPHTUAHJX-FSSWDIPSSA-N 1 1 405.502 2.902 20 0 HFADMO COc1ccc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2c1 ZINC001164804594 721539180 /nfs/dbraw/zinc/53/91/80/721539180.db2.gz KQADMQPHTUAHJX-FKBYEOEOSA-N 1 1 405.502 2.902 20 0 HFADMO Cn1ccc2c1nc(Cl)nc2N1C[C@@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164808432 721545291 /nfs/dbraw/zinc/54/52/91/721545291.db2.gz SDRLZAMIDOPHFB-RCCFBDPRSA-N 1 1 412.925 2.885 20 0 HFADMO Cn1ccc2c1nc(Cl)nc2N1C[C@@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164808432 721545293 /nfs/dbraw/zinc/54/52/93/721545293.db2.gz SDRLZAMIDOPHFB-RCCFBDPRSA-N 1 1 412.925 2.885 20 0 HFADMO CCOC(=O)c1ncnc(Cl)c1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908162 721550089 /nfs/dbraw/zinc/55/00/89/721550089.db2.gz PICDRKCGAIBWLA-GDBMZVCRSA-N 1 1 420.872 2.788 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ncccc3nc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164804548 721552264 /nfs/dbraw/zinc/55/22/64/721552264.db2.gz KFRASMZCAUYBMK-KURKYZTESA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ncccc3nc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164804548 721552266 /nfs/dbraw/zinc/55/22/66/721552266.db2.gz KFRASMZCAUYBMK-KURKYZTESA-N 1 1 410.909 2.941 20 0 HFADMO CCOC(=O)c1cc(C)cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164808665 721554797 /nfs/dbraw/zinc/55/47/97/721554797.db2.gz VHGDODJGKQLYSU-PCCBWWKXSA-N 1 1 410.518 2.830 20 0 HFADMO CCOC(=O)c1cc(C)cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164808665 721554804 /nfs/dbraw/zinc/55/48/04/721554804.db2.gz VHGDODJGKQLYSU-PCCBWWKXSA-N 1 1 410.518 2.830 20 0 HFADMO COc1ccc2ncc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc2c1 ZINC001164805819 721555364 /nfs/dbraw/zinc/55/53/64/721555364.db2.gz OYBJGXKSPCDCKQ-GIWBLDEGSA-N 1 1 405.502 2.902 20 0 HFADMO COc1ccc2ncc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc2c1 ZINC001164805819 721555368 /nfs/dbraw/zinc/55/53/68/721555368.db2.gz OYBJGXKSPCDCKQ-GIWBLDEGSA-N 1 1 405.502 2.902 20 0 HFADMO COc1cccc2cnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc21 ZINC001164807442 721557383 /nfs/dbraw/zinc/55/73/83/721557383.db2.gz TUTQRYVQOOOOOE-XQBPLPMBSA-N 1 1 405.502 2.902 20 0 HFADMO COc1cccc2cnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc21 ZINC001164807442 721557386 /nfs/dbraw/zinc/55/73/86/721557386.db2.gz TUTQRYVQOOOOOE-XQBPLPMBSA-N 1 1 405.502 2.902 20 0 HFADMO COC(=O)c1ccc(Cl)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164800837 721559277 /nfs/dbraw/zinc/55/92/77/721559277.db2.gz FQVOBVMCFHGYMT-CEXWTWQISA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1ccc(Cl)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164800837 721559280 /nfs/dbraw/zinc/55/92/80/721559280.db2.gz FQVOBVMCFHGYMT-CEXWTWQISA-N 1 1 416.909 2.785 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(=O)NC(C)(C)C)ccn2)[C@@H]2CCCO[C@@H]12 ZINC001164801387 721568801 /nfs/dbraw/zinc/56/88/01/721568801.db2.gz GLZQBQDOKPRWCL-KCZVDYSFSA-N 1 1 423.561 2.873 20 0 HFADMO Cc1noc(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc2)n1 ZINC001164808882 721580739 /nfs/dbraw/zinc/58/07/39/721580739.db2.gz RDGIALOLOAQKJD-IRFCIJBXSA-N 1 1 406.490 2.703 20 0 HFADMO Cc1noc(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc2)n1 ZINC001164808882 721580742 /nfs/dbraw/zinc/58/07/42/721580742.db2.gz RDGIALOLOAQKJD-IRFCIJBXSA-N 1 1 406.490 2.703 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccncc3)ncn2)[C@@H]2CCCO[C@H]12 ZINC001164808926 721581143 /nfs/dbraw/zinc/58/11/43/721581143.db2.gz RUQYMMYFZXMHAV-XPNTWCBSSA-N 1 1 402.502 2.802 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccncc3)ncn2)[C@@H]2CCCO[C@H]12 ZINC001164808926 721581147 /nfs/dbraw/zinc/58/11/47/721581147.db2.gz RUQYMMYFZXMHAV-XPNTWCBSSA-N 1 1 402.502 2.802 20 0 HFADMO CNC(=O)c1ccnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907304 721716381 /nfs/dbraw/zinc/71/63/81/721716381.db2.gz QOJBWVKLKAEAAN-FQEVSTJZSA-N 1 1 401.461 2.574 20 0 HFADMO CN(C)C(=O)c1ccc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164908495 721752438 /nfs/dbraw/zinc/75/24/38/721752438.db2.gz KNYNWPUNRWQGNH-UHFFFAOYSA-N 1 1 405.502 2.966 20 0 HFADMO CN(C)C(=O)c1ccc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164908495 721752443 /nfs/dbraw/zinc/75/24/43/721752443.db2.gz KNYNWPUNRWQGNH-UHFFFAOYSA-N 1 1 405.502 2.966 20 0 HFADMO Cc1nc2ccsc2c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912832 721767214 /nfs/dbraw/zinc/76/72/14/721767214.db2.gz QPWLBSAUINDNIN-NRFANRHFSA-N 1 1 411.531 2.503 20 0 HFADMO Cc1nc2ccsc2c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912832 721767216 /nfs/dbraw/zinc/76/72/16/721767216.db2.gz QPWLBSAUINDNIN-NRFANRHFSA-N 1 1 411.531 2.503 20 0 HFADMO Clc1cc2[nH]ccc2c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913615 721774098 /nfs/dbraw/zinc/77/40/98/721774098.db2.gz YMXCBALNWIFADR-OAQYLSRUSA-N 1 1 413.909 2.719 20 0 HFADMO Clc1cc2[nH]ccc2c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913615 721774101 /nfs/dbraw/zinc/77/41/01/721774101.db2.gz YMXCBALNWIFADR-OAQYLSRUSA-N 1 1 413.909 2.719 20 0 HFADMO Cc1nc2ccc(F)cc2c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912648 721776306 /nfs/dbraw/zinc/77/63/06/721776306.db2.gz NUGOJTLMCJPVQS-QHCPKHFHSA-N 1 1 423.492 2.580 20 0 HFADMO Cc1nc2ccc(F)cc2c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912648 721776311 /nfs/dbraw/zinc/77/63/11/721776311.db2.gz NUGOJTLMCJPVQS-QHCPKHFHSA-N 1 1 423.492 2.580 20 0 HFADMO C[N@@H+](Cc1ccc(N2CCO[C@@H]3[C@@H](OCCCn4cccn4)CC[C@@H]32)nc1)C1CC1 ZINC001165022491 721782349 /nfs/dbraw/zinc/78/23/49/721782349.db2.gz RQCJSAUWLKHLTE-FUDKSRODSA-N 1 1 411.550 2.715 20 0 HFADMO COc1cc(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)[nH+]c2ccccc21 ZINC001164917626 721790288 /nfs/dbraw/zinc/79/02/88/721790288.db2.gz YOUVNWDMEZFWQL-DEOSSOPVSA-N 1 1 420.513 2.746 20 0 HFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@]4(C[C@H](Oc5cccnc5)CO4)C3)c2)CC1 ZINC001164916167 721807793 /nfs/dbraw/zinc/80/77/93/721807793.db2.gz OHOJSTSNLHWBMT-GMAHTHKFSA-N 1 1 410.518 2.766 20 0 HFADMO COC(=O)c1c[n-]c2nc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165022618 721816355 /nfs/dbraw/zinc/81/63/55/721816355.db2.gz GDRUXGCTHCELCX-ZYSHUDEJSA-N 1 1 420.517 2.876 20 0 HFADMO COC(=O)c1c[nH]c2ncnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165022618 721816363 /nfs/dbraw/zinc/81/63/63/721816363.db2.gz GDRUXGCTHCELCX-ZYSHUDEJSA-N 1 1 420.517 2.876 20 0 HFADMO COC(=O)c1c[nH]c2ncnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165022618 721816366 /nfs/dbraw/zinc/81/63/66/721816366.db2.gz GDRUXGCTHCELCX-ZYSHUDEJSA-N 1 1 420.517 2.876 20 0 HFADMO Cc1nc(CN2CCOC[C@]3(CN(c4ccc5c([nH+]4)CCCC5)CCO3)C2)cs1 ZINC001164923390 721826824 /nfs/dbraw/zinc/82/68/24/721826824.db2.gz IGWVSQDMNITBRL-JOCHJYFZSA-N 1 1 414.575 2.833 20 0 HFADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4CCN(C)C)c2c1 ZINC001164921920 721876676 /nfs/dbraw/zinc/87/66/76/721876676.db2.gz DUFCNIDZVGXXHB-QZTJIDSGSA-N 1 1 417.941 2.675 20 0 HFADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@H]3CC[N@H+]4CCN(C)C)c2c1 ZINC001164921920 721876678 /nfs/dbraw/zinc/87/66/78/721876678.db2.gz DUFCNIDZVGXXHB-QZTJIDSGSA-N 1 1 417.941 2.675 20 0 HFADMO NC(=O)N1CCN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC001165042681 721941290 /nfs/dbraw/zinc/94/12/90/721941290.db2.gz PHMAILWJKUPFTE-UHFFFAOYSA-N 1 1 414.579 2.757 20 0 HFADMO CC(C)N1Cc2c(nc(Cl)nc2N2CC[NH+](CCOc3ccccc3)CC2)C1=O ZINC001165045471 721958939 /nfs/dbraw/zinc/95/89/39/721958939.db2.gz VDNZYSSQUQZARU-UHFFFAOYSA-N 1 1 415.925 2.695 20 0 HFADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncnc3cc(Cl)cnc31)CC2 ZINC001164947713 721975683 /nfs/dbraw/zinc/97/56/83/721975683.db2.gz RADZOZWIWFMSGG-UHFFFAOYSA-N 1 1 422.920 2.649 20 0 HFADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncnc3cc(Cl)cnc31)CC2 ZINC001164947713 721975689 /nfs/dbraw/zinc/97/56/89/721975689.db2.gz RADZOZWIWFMSGG-UHFFFAOYSA-N 1 1 422.920 2.649 20 0 HFADMO c1ccc(CN2CCc3ncnc(N4CC[NH+](CCc5ccccn5)CC4)c3C2)cc1 ZINC001165053838 722009290 /nfs/dbraw/zinc/00/92/90/722009290.db2.gz MGHCUIWTZJXCCI-UHFFFAOYSA-N 1 1 414.557 2.795 20 0 HFADMO COC(=O)c1nc(Cl)cnc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164951589 722018457 /nfs/dbraw/zinc/01/84/57/722018457.db2.gz BHBDFKLJDTVRAL-UHFFFAOYSA-N 1 1 401.898 2.804 20 0 HFADMO Fc1cc2c(cn1)ncnc2N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164964229 722054282 /nfs/dbraw/zinc/05/42/82/722054282.db2.gz TVEHNHOMSXZRMN-UHFFFAOYSA-N 1 1 408.481 2.678 20 0 HFADMO COC(=O)c1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)ncc1C ZINC001164963843 722057316 /nfs/dbraw/zinc/05/73/16/722057316.db2.gz NMWMKDFSQMRYNN-UHFFFAOYSA-N 1 1 410.518 2.691 20 0 HFADMO Nc1cc(F)c(Cl)nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164960030 722058492 /nfs/dbraw/zinc/05/84/92/722058492.db2.gz DJAUZIXIGRUSBE-UHFFFAOYSA-N 1 1 405.905 2.970 20 0 HFADMO CCOC(=O)c1ccc2nc(Cl)nc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c2c1 ZINC001164966999 722074936 /nfs/dbraw/zinc/07/49/36/722074936.db2.gz IUPJXOWVBASEHU-IYBDPMFKSA-N 1 1 416.909 2.759 20 0 HFADMO FC(F)(c1ccnc(Cl)n1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983369 722098757 /nfs/dbraw/zinc/09/87/57/722098757.db2.gz PQSRZOJAVWISHN-CVEARBPZSA-N 1 1 409.868 2.797 20 0 HFADMO Cc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1NCC1CC1 ZINC001164986226 722098970 /nfs/dbraw/zinc/09/89/70/722098970.db2.gz YLZKCBYQBJTRAY-NHCUHLMSSA-N 1 1 408.550 2.729 20 0 HFADMO Cn1ccc2c1nc(Cl)nc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983174 722109610 /nfs/dbraw/zinc/10/96/10/722109610.db2.gz YKNXANYCPDLHQO-AEFFLSMTSA-N 1 1 412.925 2.744 20 0 HFADMO CCOc1nc(Cl)cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981875 722109676 /nfs/dbraw/zinc/10/96/76/722109676.db2.gz VJYVAMXMZDSFPJ-DLBZAZTESA-N 1 1 403.914 2.651 20 0 HFADMO COC(=O)c1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1Cl ZINC001164983135 722115735 /nfs/dbraw/zinc/11/57/35/722115735.db2.gz YJNIHHSTUOJBCB-FUHWJXTLSA-N 1 1 416.909 2.644 20 0 HFADMO CSc1nc(Cl)ncc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973308 722117025 /nfs/dbraw/zinc/11/70/25/722117025.db2.gz GZOIQFXOOPRKLX-NVXWUHKLSA-N 1 1 405.955 2.974 20 0 HFADMO CCOC(=O)c1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1C ZINC001164972490 722122630 /nfs/dbraw/zinc/12/26/30/722122630.db2.gz FRYLJFQSSPPORB-FPOVZHCZSA-N 1 1 410.518 2.689 20 0 HFADMO COC(=O)c1ccc(Cl)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164974892 722123824 /nfs/dbraw/zinc/12/38/24/722123824.db2.gz ITWBOZIIDIIWSB-VQIMIIECSA-N 1 1 416.909 2.644 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ccnc(N5CCCCC5)n4)CC[C@@H]3C2)c1 ZINC001164973279 722138286 /nfs/dbraw/zinc/13/82/86/722138286.db2.gz BQRYRLJOACXHCS-NHCUHLMSSA-N 1 1 408.550 2.589 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4ccnc(N5CCCCC5)n4)CC[C@@H]3C2)c1 ZINC001164973283 722138327 /nfs/dbraw/zinc/13/83/27/722138327.db2.gz BQRYRLJOACXHCS-RTWAWAEBSA-N 1 1 408.550 2.589 20 0 HFADMO CC(C)n1cnc2cnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164984581 722142140 /nfs/dbraw/zinc/14/21/40/722142140.db2.gz XEXKNKJOAVYVLG-QUCCMNQESA-N 1 1 407.522 2.530 20 0 HFADMO COc1cccc2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164981707 722143086 /nfs/dbraw/zinc/14/30/86/722143086.db2.gz PZXITJWJEXQBAR-WIYYLYMNSA-N 1 1 405.502 2.761 20 0 HFADMO Cc1noc(-c2ccnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2)n1 ZINC001164982671 722144879 /nfs/dbraw/zinc/14/48/79/722144879.db2.gz RYCDOIQDYDIRNZ-PMACEKPBSA-N 1 1 406.490 2.562 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4ccc(-c5ccncc5)nn4)CC[C@@H]3C2)c1 ZINC001164972538 722148175 /nfs/dbraw/zinc/14/81/75/722148175.db2.gz ABIUBDYOBKOPAU-IRLDBZIGSA-N 1 1 402.502 2.661 20 0 HFADMO CC(C)c1cc2c(ncnc2N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)s1 ZINC001164996539 722228962 /nfs/dbraw/zinc/22/89/62/722228962.db2.gz JLXNQYKTQKVDEF-UHFFFAOYSA-N 1 1 423.590 2.962 20 0 HFADMO COc1ccc2nc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c(C)cc2c1 ZINC001164998159 722228964 /nfs/dbraw/zinc/22/89/64/722228964.db2.gz YWKMFFFGDYQOLK-UHFFFAOYSA-N 1 1 418.545 2.699 20 0 HFADMO Cc1cccc2c(Cl)nnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c12 ZINC001164996709 722232531 /nfs/dbraw/zinc/23/25/31/722232531.db2.gz IBYPEICIYMTCNP-UHFFFAOYSA-N 1 1 423.952 2.739 20 0 HFADMO CCc1nc(N2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc(C)[nH+]1 ZINC000804370823 1078044087 /nfs/dbraw/zinc/04/40/87/1078044087.db2.gz WIIWIMVAYJCHII-KRWDZBQOSA-N 1 1 417.554 2.643 20 0 HFADMO O=C(Cn1ccc2ccccc2c1=O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000790500009 1078044127 /nfs/dbraw/zinc/04/41/27/1078044127.db2.gz AZDJWKDRYDBEKB-UHFFFAOYSA-N 1 1 412.493 2.894 20 0 HFADMO CN1CCN(c2ncccc2C[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000790468930 1078045270 /nfs/dbraw/zinc/04/52/70/1078045270.db2.gz DWDIJHYIUQQCRH-UHFFFAOYSA-N 1 1 423.561 2.724 20 0 HFADMO C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(F)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000793014290 1078048987 /nfs/dbraw/zinc/04/89/87/1078048987.db2.gz MKTXJXQWXPFQOU-SJKOYZFVSA-N 1 1 408.836 2.761 20 0 HFADMO C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(F)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000793014293 1078049027 /nfs/dbraw/zinc/04/90/27/1078049027.db2.gz MKTXJXQWXPFQOU-YVEFUNNKSA-N 1 1 408.836 2.761 20 0 HFADMO C[C@H](NC(=O)C(=O)Nc1cccc(Br)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000793018373 1078050726 /nfs/dbraw/zinc/05/07/26/1078050726.db2.gz DGHHLYNYQXPCTO-STQMWFEESA-N 1 1 409.328 2.552 20 0 HFADMO C[C@H](NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)C1=CC[N@@H+](C)CC1 ZINC000793045172 1078055207 /nfs/dbraw/zinc/05/52/07/1078055207.db2.gz WPRSHEKTUULJQA-ICSRJNTNSA-N 1 1 414.550 2.985 20 0 HFADMO O=C1CN([C@H]2CC[N@H+](Cc3ccc(Cl)cc3-n3cncn3)C2)c2ccccc2N1 ZINC000793074752 1078062999 /nfs/dbraw/zinc/06/29/99/1078062999.db2.gz LFSDFTJIVDQGHI-KRWDZBQOSA-N 1 1 408.893 2.954 20 0 HFADMO COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000790584515 1078062089 /nfs/dbraw/zinc/06/20/89/1078062089.db2.gz SLIQIWVRWKTBNA-OALUTQOASA-N 1 1 405.539 2.555 20 0 HFADMO COCC1(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793059796 1078068879 /nfs/dbraw/zinc/06/88/79/1078068879.db2.gz QGJZERLRBVEDDE-ZWKOTPCHSA-N 1 1 411.587 2.887 20 0 HFADMO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000772827112 1078084563 /nfs/dbraw/zinc/08/45/63/1078084563.db2.gz HBZRSNWXUCULGY-OPJGWUQDSA-N 1 1 422.573 2.849 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(CCO)Cc1cccnc1Cl ZINC000793153498 1078091737 /nfs/dbraw/zinc/09/17/37/1078091737.db2.gz KDFWXEPFFODHNU-APWZRJJASA-N 1 1 402.926 2.759 20 0 HFADMO O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CC(c2cccnc2)=NO1 ZINC000790641712 1078090195 /nfs/dbraw/zinc/09/01/95/1078090195.db2.gz ADNOHFSTNGYDPP-PKOBYXMFSA-N 1 1 418.419 2.984 20 0 HFADMO O=C1C(=O)N(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C(=O)N1CCC1=CCCCC1 ZINC000772828642 1078093922 /nfs/dbraw/zinc/09/39/22/1078093922.db2.gz NZWIDKPKCTVIGN-QUCCMNQESA-N 1 1 414.550 2.574 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000793219743 1078099718 /nfs/dbraw/zinc/09/97/18/1078099718.db2.gz NRSTZMPCVCNMGG-INIZCTEOSA-N 1 1 416.526 2.742 20 0 HFADMO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NC(=O)CC1OCCO1)CC2 ZINC000793245619 1078109082 /nfs/dbraw/zinc/10/90/82/1078109082.db2.gz YNKPPTGVPFWRLE-UHFFFAOYSA-N 1 1 412.486 2.964 20 0 HFADMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NC(=O)CC1OCCO1)CC2 ZINC000793245619 1078109086 /nfs/dbraw/zinc/10/90/86/1078109086.db2.gz YNKPPTGVPFWRLE-UHFFFAOYSA-N 1 1 412.486 2.964 20 0 HFADMO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1nnnn1C1CC1 ZINC000790718072 1078107177 /nfs/dbraw/zinc/10/71/77/1078107177.db2.gz MXHAIPOGGQATOJ-ILZDJORESA-N 1 1 409.538 2.765 20 0 HFADMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(CCO)Cc1cccnc1Cl ZINC000793212025 1078107782 /nfs/dbraw/zinc/10/77/82/1078107782.db2.gz DFDZCJCPQHVPME-SFHVURJKSA-N 1 1 402.926 2.761 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000793267083 1078114287 /nfs/dbraw/zinc/11/42/87/1078114287.db2.gz SIBQKYIMVSYOSB-GJZGRUSLSA-N 1 1 412.328 2.965 20 0 HFADMO COCC1(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793273707 1078116010 /nfs/dbraw/zinc/11/60/10/1078116010.db2.gz QGFBMUXUTOXQIW-GOSISDBHSA-N 1 1 411.587 2.887 20 0 HFADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC000793292104 1078120086 /nfs/dbraw/zinc/12/00/86/1078120086.db2.gz YNUOGYCGTKCWAY-CVEARBPZSA-N 1 1 400.425 2.789 20 0 HFADMO CC1=CC[N@@H+](CCNC(=O)c2nc(Br)ccc2Br)CC1 ZINC000790894332 1078174449 /nfs/dbraw/zinc/17/44/49/1078174449.db2.gz XUZOHIHRRVGMGH-UHFFFAOYSA-N 1 1 403.118 2.988 20 0 HFADMO COc1ccc(NC(=O)[C@H]2CCCN2C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000790896545 1078175500 /nfs/dbraw/zinc/17/55/00/1078175500.db2.gz QJTXRCNLIPPJCM-RTBURBONSA-N 1 1 402.539 2.928 20 0 HFADMO O=C(Nc1nncs1)C1CC[NH+](CN2CC[C@H](CCc3ccccc3)C2=O)CC1 ZINC000793487312 1078190936 /nfs/dbraw/zinc/19/09/36/1078190936.db2.gz SZLWCBMDHIFNNA-SFHVURJKSA-N 1 1 413.547 2.627 20 0 HFADMO C[N@@H+]1CCN(C(=O)C[C@H](c2ccccc2)N2CCOC2=O)C[C@H]1Cc1ccccc1 ZINC000793507143 1078193591 /nfs/dbraw/zinc/19/35/91/1078193591.db2.gz XQFWCSBPIXGGAZ-FGZHOGPDSA-N 1 1 407.514 2.955 20 0 HFADMO C[N@H+]1CCN(C(=O)C[C@H](c2ccccc2)N2CCOC2=O)C[C@H]1Cc1ccccc1 ZINC000793507143 1078193592 /nfs/dbraw/zinc/19/35/92/1078193592.db2.gz XQFWCSBPIXGGAZ-FGZHOGPDSA-N 1 1 407.514 2.955 20 0 HFADMO CCOC(=O)[C@]1(COC)CCC[N@H+](CN2CC[C@@H](CCc3ccccc3)C2=O)C1 ZINC000793515493 1078197091 /nfs/dbraw/zinc/19/70/91/1078197091.db2.gz KAYSFHTZOZSIQR-NFBKMPQASA-N 1 1 402.535 2.717 20 0 HFADMO CCOC(=O)[C@]1(COC)CCC[N@@H+](CN2CC[C@@H](CCc3ccccc3)C2=O)C1 ZINC000793515493 1078197093 /nfs/dbraw/zinc/19/70/93/1078197093.db2.gz KAYSFHTZOZSIQR-NFBKMPQASA-N 1 1 402.535 2.717 20 0 HFADMO CCO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NCc2c[nH+]c3n2CCCC3)C1(C)C ZINC000793501952 1078204100 /nfs/dbraw/zinc/20/41/00/1078204100.db2.gz YDRUIJAQKGVRIM-AOMKIAJQSA-N 1 1 420.554 2.934 20 0 HFADMO CC(C)COC(=O)N1CCC(C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000793504336 1078205330 /nfs/dbraw/zinc/20/53/30/1078205330.db2.gz ISRCERIUADEAII-NRFANRHFSA-N 1 1 401.551 2.876 20 0 HFADMO CC(C)COC(=O)N1CCC(C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000793504336 1078205334 /nfs/dbraw/zinc/20/53/34/1078205334.db2.gz ISRCERIUADEAII-NRFANRHFSA-N 1 1 401.551 2.876 20 0 HFADMO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@@H+](Cc2cnc(C(C)(C)C)nc2)C1 ZINC000793583565 1078214914 /nfs/dbraw/zinc/21/49/14/1078214914.db2.gz GCJSXPFLYSOLHL-KRWDZBQOSA-N 1 1 419.570 2.627 20 0 HFADMO Cn1cc(-c2ccc(CN3CC[N@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)s2)cn1 ZINC000793603127 1078221286 /nfs/dbraw/zinc/22/12/86/1078221286.db2.gz DKHMRYONVDSYKT-INIZCTEOSA-N 1 1 405.568 2.789 20 0 HFADMO Cn1cc(-c2ccc(CN3CC[N@@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)s2)cn1 ZINC000793603127 1078221287 /nfs/dbraw/zinc/22/12/87/1078221287.db2.gz DKHMRYONVDSYKT-INIZCTEOSA-N 1 1 405.568 2.789 20 0 HFADMO CN(C)C(=O)COc1ccccc1C[N@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000793603592 1078222128 /nfs/dbraw/zinc/22/21/28/1078222128.db2.gz CEQDRWAVURFOTE-HSZRJFAPSA-N 1 1 417.550 2.987 20 0 HFADMO COc1cc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc(OC)c1OCC(N)=O ZINC000793616401 1078228612 /nfs/dbraw/zinc/22/86/12/1078228612.db2.gz VBQALMHOHHELDD-PBHICJAKSA-N 1 1 403.306 2.584 20 0 HFADMO COc1cc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc(OC)c1OCC(N)=O ZINC000793616401 1078228615 /nfs/dbraw/zinc/22/86/15/1078228615.db2.gz VBQALMHOHHELDD-PBHICJAKSA-N 1 1 403.306 2.584 20 0 HFADMO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CCN1C(=O)OC(C)(C)C ZINC000793665543 1078245272 /nfs/dbraw/zinc/24/52/72/1078245272.db2.gz TZRHKBKTPFBEQI-INDMIFKZSA-N 1 1 409.571 2.782 20 0 HFADMO CCN(C(=O)C(=O)N[C@H](C)COc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793684927 1078255444 /nfs/dbraw/zinc/25/54/44/1078255444.db2.gz FPOPVRLBPLNPGJ-CTNGQTDRSA-N 1 1 409.530 2.693 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](CN3C(=O)CC4(CCCCC4)C3=O)CC[C@H]21 ZINC000793712794 1078261520 /nfs/dbraw/zinc/26/15/20/1078261520.db2.gz ZBDGCIYBPGVMRQ-DLBZAZTESA-N 1 1 405.539 2.985 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](CN3C(=O)CC4(CCCCC4)C3=O)CC[C@H]21 ZINC000793712794 1078261523 /nfs/dbraw/zinc/26/15/23/1078261523.db2.gz ZBDGCIYBPGVMRQ-DLBZAZTESA-N 1 1 405.539 2.985 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000793714577 1078262738 /nfs/dbraw/zinc/26/27/38/1078262738.db2.gz PRPKCAUTHJUTQX-DVECYGJZSA-N 1 1 409.530 2.599 20 0 HFADMO C[C@@H](COc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000793694649 1078271245 /nfs/dbraw/zinc/27/12/45/1078271245.db2.gz MJFSSGJVWOESJO-FPOVZHCZSA-N 1 1 409.530 2.693 20 0 HFADMO Cc1ccc(CCNC(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000793759806 1078280311 /nfs/dbraw/zinc/28/03/11/1078280311.db2.gz DIVJYGYOAJSHBP-RUZDIDTESA-N 1 1 407.558 2.991 20 0 HFADMO COCC1(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793735236 1078284881 /nfs/dbraw/zinc/28/48/81/1078284881.db2.gz FWOLJMFKWXIRFX-LJQANCHMSA-N 1 1 417.550 2.953 20 0 HFADMO COCC1(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793735236 1078284884 /nfs/dbraw/zinc/28/48/84/1078284884.db2.gz FWOLJMFKWXIRFX-LJQANCHMSA-N 1 1 417.550 2.953 20 0 HFADMO Cc1cccc(OC[C@H](C)NC(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000793798001 1078301476 /nfs/dbraw/zinc/30/14/76/1078301476.db2.gz HVUOENQAZIAPDE-NBGIEHNGSA-N 1 1 423.557 2.907 20 0 HFADMO Cc1ccc(CN(C(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2C)C(C)C)s1 ZINC000793809325 1078306509 /nfs/dbraw/zinc/30/65/09/1078306509.db2.gz YYPNXHWQHOROFY-UHFFFAOYSA-N 1 1 411.531 2.999 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC[C@H](Cc2ccccc2)C1 ZINC000793808017 1078306309 /nfs/dbraw/zinc/30/63/09/1078306309.db2.gz BQKJLBMBUGIGFP-HXUWFJFHSA-N 1 1 417.513 2.673 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000793807755 1078306317 /nfs/dbraw/zinc/30/63/17/1078306317.db2.gz SOWXYWSVLRHCOA-MGPUTAFESA-N 1 1 421.476 2.941 20 0 HFADMO CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000793801594 1078302772 /nfs/dbraw/zinc/30/27/72/1078302772.db2.gz JUBAKYHFYVMDCO-UHFFFAOYSA-N 1 1 411.893 2.894 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(Cc1ccco1)Cc1ccco1 ZINC000793803366 1078303262 /nfs/dbraw/zinc/30/32/62/1078303262.db2.gz BSNLHRUGGGPFAX-UHFFFAOYSA-N 1 1 419.441 2.607 20 0 HFADMO Cc1[nH]c2ccc(CNC(=O)C(=O)NCc3cccnc3-n3cc[nH+]c3C)cc2c1C ZINC000793805193 1078304395 /nfs/dbraw/zinc/30/43/95/1078304395.db2.gz MVIKAUAEYDTGOV-UHFFFAOYSA-N 1 1 416.485 2.606 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000793804942 1078304710 /nfs/dbraw/zinc/30/47/10/1078304710.db2.gz LAFHUFAENPBRQV-XLIONFOSSA-N 1 1 421.476 2.784 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000793806011 1078304943 /nfs/dbraw/zinc/30/49/43/1078304943.db2.gz COGZQMFVEQHWOQ-OXQOHEQNSA-N 1 1 403.486 2.597 20 0 HFADMO CC[C@@H](NC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C)c1ccc(F)cc1F ZINC000793809114 1078306516 /nfs/dbraw/zinc/30/65/16/1078306516.db2.gz XLSPQJPYFFHMRC-GOSISDBHSA-N 1 1 413.428 2.738 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H](C)CSc1ccc(C)cc1 ZINC000793807530 1078305230 /nfs/dbraw/zinc/30/52/30/1078305230.db2.gz ZNWQFEKMDNQMED-MRXNPFEDSA-N 1 1 423.542 2.797 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000793806947 1078305771 /nfs/dbraw/zinc/30/57/71/1078305771.db2.gz WARRDCNCEGNTBM-HXUWFJFHSA-N 1 1 421.476 2.907 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000793808785 1078299298 /nfs/dbraw/zinc/29/92/98/1078299298.db2.gz FEACSTUJFTUJEX-TZIWHRDSSA-N 1 1 417.513 2.720 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000793808428 1078306001 /nfs/dbraw/zinc/30/60/01/1078306001.db2.gz VAXXTDMZPOOHCU-UHFFFAOYSA-N 1 1 423.904 2.693 20 0 HFADMO Cc1nc(SC(F)F)sc1CC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000793840058 1078311535 /nfs/dbraw/zinc/31/15/35/1078311535.db2.gz XOQOIWPPPAAJKB-UHFFFAOYSA-N 1 1 406.568 2.841 20 0 HFADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1CCc2c(F)cccc2C1 ZINC000793844139 1078312766 /nfs/dbraw/zinc/31/27/66/1078312766.db2.gz WJBQMHJALBHTIN-IBGZPJMESA-N 1 1 409.505 2.739 20 0 HFADMO CN(CCc1ccccc1F)C(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000793845391 1078313018 /nfs/dbraw/zinc/31/30/18/1078313018.db2.gz ZRIBTYGSADWMEM-HXUWFJFHSA-N 1 1 411.521 2.855 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H](C)Cc1ccc(C)cc1C ZINC000793811720 1078315244 /nfs/dbraw/zinc/31/52/44/1078315244.db2.gz YVTWDDZYNJBGCL-QGZVFWFLSA-N 1 1 405.502 2.556 20 0 HFADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NOCc2ccc(C(F)(F)F)cc2)CC1=O ZINC000747149011 1078318348 /nfs/dbraw/zinc/31/83/48/1078318348.db2.gz FBVMRUFDRLMZBZ-WBVHZDCISA-N 1 1 413.440 2.586 20 0 HFADMO C[C@H](CC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000793873909 1078330846 /nfs/dbraw/zinc/33/08/46/1078330846.db2.gz DJEQQBLRRGXYCR-SQNIBIBYSA-N 1 1 411.587 2.573 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@H](C)C1 ZINC000793874880 1078331295 /nfs/dbraw/zinc/33/12/95/1078331295.db2.gz OUDWQOJGQKXFHX-ZIFCJYIRSA-N 1 1 405.539 2.556 20 0 HFADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC2CCC(O)(c3ccccc3)CC2)C1 ZINC000793909258 1078335067 /nfs/dbraw/zinc/33/50/67/1078335067.db2.gz MTEYWEAXRRMGHP-NWKXHEKXSA-N 1 1 415.578 2.560 20 0 HFADMO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)CCC2 ZINC000793910383 1078335545 /nfs/dbraw/zinc/33/55/45/1078335545.db2.gz JRGJJQAPHXAYKP-SJLPKXTDSA-N 1 1 403.571 2.584 20 0 HFADMO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000793932439 1078341830 /nfs/dbraw/zinc/34/18/30/1078341830.db2.gz UANZSGKKTGMLAK-PTUXOGIPSA-N 1 1 423.557 2.829 20 0 HFADMO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NC2CCN(c3[nH+]ccn3C)CC2)C1 ZINC000793950700 1078344835 /nfs/dbraw/zinc/34/48/35/1078344835.db2.gz BJMKYRWRXPMYSY-NVXWUHKLSA-N 1 1 405.543 2.541 20 0 HFADMO CCCc1ccc(N2C[C@@H](C(=O)NC3CCN(c4[nH+]ccn4C)CC3)CC2=O)cc1 ZINC000793951650 1078345226 /nfs/dbraw/zinc/34/52/26/1078345226.db2.gz KEBOQKOYMDOQIA-SFHVURJKSA-N 1 1 409.534 2.511 20 0 HFADMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000793960926 1078348162 /nfs/dbraw/zinc/34/81/62/1078348162.db2.gz WJGIBBVUJREZJQ-OALUTQOASA-N 1 1 409.615 2.772 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1Cc2ccnn2C[C@@H](C(=O)N2CCCC2)C1 ZINC001170440481 1078350107 /nfs/dbraw/zinc/35/01/07/1078350107.db2.gz CSEWYDQQLHUEGA-RBUKOAKNSA-N 1 1 410.518 2.687 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1Cc2ccnn2C[C@@H](C(=O)N2CCCC2)C1 ZINC001170440481 1078350112 /nfs/dbraw/zinc/35/01/12/1078350112.db2.gz CSEWYDQQLHUEGA-RBUKOAKNSA-N 1 1 410.518 2.687 20 0 HFADMO C[C@H]1C[C@@H](C(=O)NC2CCN(c3[nH+]ccn3C)CC2)CCN1C(=O)OC(C)(C)C ZINC000793946201 1078354816 /nfs/dbraw/zinc/35/48/16/1078354816.db2.gz GHTFEXZJZCFWHV-HOTGVXAUSA-N 1 1 405.543 2.541 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@H]2OCC[C@@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001170441664 1078356176 /nfs/dbraw/zinc/35/61/76/1078356176.db2.gz IUXGZPKLNQDAIC-ZGXWSNOMSA-N 1 1 416.518 2.627 20 0 HFADMO Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)COc2cccc(Cl)c2)CC1 ZINC000794020939 1078362489 /nfs/dbraw/zinc/36/24/89/1078362489.db2.gz ZACSOYDTXIAGKP-UHFFFAOYSA-N 1 1 416.905 2.915 20 0 HFADMO C[C@@H](C(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)[NH+]1CCSCC1 ZINC000794047687 1078365480 /nfs/dbraw/zinc/36/54/80/1078365480.db2.gz LQDWVFNKCSEITP-HKUYNNGSSA-N 1 1 405.564 2.589 20 0 HFADMO O=C(NCC[N@@H+]1CC=CCC1)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 ZINC000794116190 1078374284 /nfs/dbraw/zinc/37/42/84/1078374284.db2.gz RWJMXMSIFHDUIM-MNDPQUGUSA-N 1 1 406.515 2.778 20 0 HFADMO CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000794146921 1078377995 /nfs/dbraw/zinc/37/79/95/1078377995.db2.gz KHFPBVFEQYVERK-ICSRJNTNSA-N 1 1 415.534 2.892 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001170445726 1078417289 /nfs/dbraw/zinc/41/72/89/1078417289.db2.gz YEOPNXYCEWISBS-IBGZPJMESA-N 1 1 414.550 2.917 20 0 HFADMO C[C@@H](NC(=O)CN1c2ccccc2OC(F)(F)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000794411866 1078433428 /nfs/dbraw/zinc/43/34/28/1078433428.db2.gz OLCJBXRSSYZUSB-HUUCEWRRSA-N 1 1 407.461 2.774 20 0 HFADMO O[C@@H](CNc1cc(NC[C@H](O)C(F)(F)F)[nH+]c(-c2ccccc2)n1)C(F)(F)F ZINC000804387467 1078446852 /nfs/dbraw/zinc/44/68/52/1078446852.db2.gz BDWRDGCHUBWGQA-QWRGUYRKSA-N 1 1 410.318 2.814 20 0 HFADMO CC[N@@H+]1CCN(C(=O)c2cnn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)[C@@H](C)C1 ZINC000804378849 1078455356 /nfs/dbraw/zinc/45/53/56/1078455356.db2.gz CIULSALLBSJTDC-FUHWJXTLSA-N 1 1 405.543 2.621 20 0 HFADMO CC[N@H+]1CCN(C(=O)c2cnn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)[C@@H](C)C1 ZINC000804378849 1078455360 /nfs/dbraw/zinc/45/53/60/1078455360.db2.gz CIULSALLBSJTDC-FUHWJXTLSA-N 1 1 405.543 2.621 20 0 HFADMO CC(C)Cc1ncnc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1I ZINC000804396542 1078461634 /nfs/dbraw/zinc/46/16/34/1078461634.db2.gz JOIJKYYDCLHADK-OLZOCXBDSA-N 1 1 416.307 2.555 20 0 HFADMO Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC000804429723 1078475255 /nfs/dbraw/zinc/47/52/55/1078475255.db2.gz NQJZXBRTKZLYLG-XXBNENTESA-N 1 1 423.557 2.656 20 0 HFADMO CCN1CC[NH+](CC(C)(C)NC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)CC1 ZINC001129807422 1078504727 /nfs/dbraw/zinc/50/47/27/1078504727.db2.gz BCEUGANCTZWQGO-CEXWTWQISA-N 1 1 420.395 2.867 20 0 HFADMO O=C(N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)C(F)(F)c1nccs1 ZINC000804448135 1078514203 /nfs/dbraw/zinc/51/42/03/1078514203.db2.gz LTCMLBDPGUCGMV-KRWDZBQOSA-N 1 1 406.502 2.654 20 0 HFADMO C[C@](O)(CC(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000804447532 1078515156 /nfs/dbraw/zinc/51/51/56/1078515156.db2.gz FMIUSTNKJPPLMU-NOZRDPDXSA-N 1 1 407.558 2.703 20 0 HFADMO COC(=O)Nc1ccccc1C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804449358 1078515188 /nfs/dbraw/zinc/51/51/88/1078515188.db2.gz WRLBUKAOODQGPY-FQEVSTJZSA-N 1 1 422.529 2.897 20 0 HFADMO O=C(c1ccnc(Cl)c1F)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804446880 1078512739 /nfs/dbraw/zinc/51/27/39/1078512739.db2.gz QAVYZDTXQGXVOQ-KRWDZBQOSA-N 1 1 402.901 2.906 20 0 HFADMO CNC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC001129512828 1078526611 /nfs/dbraw/zinc/52/66/11/1078526611.db2.gz KTBGROBGHMZAGE-AQNXPRMDSA-N 1 1 405.608 2.765 20 0 HFADMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CCNC(=O)C1 ZINC001129564792 1078558558 /nfs/dbraw/zinc/55/85/58/1078558558.db2.gz ZKGOUKVUXRTVBK-YZUZCNPQSA-N 1 1 409.505 2.826 20 0 HFADMO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000804524612 1078564836 /nfs/dbraw/zinc/56/48/36/1078564836.db2.gz CUJQUCIQAISITE-QWHCGFSZSA-N 1 1 415.353 2.551 20 0 HFADMO CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804533996 1078571503 /nfs/dbraw/zinc/57/15/03/1078571503.db2.gz LGMHKXRJQRWYGR-QHCPKHFHSA-N 1 1 417.550 2.652 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2ncc(I)n2c1 ZINC000804778814 1078604178 /nfs/dbraw/zinc/60/41/78/1078604178.db2.gz GNPCOBIEZAHYJI-ZDUSSCGKSA-N 1 1 412.275 2.543 20 0 HFADMO COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)CC1 ZINC001129926016 1078618449 /nfs/dbraw/zinc/61/84/49/1078618449.db2.gz NERWDWXENIPBFT-LJQANCHMSA-N 1 1 401.551 2.534 20 0 HFADMO COCC(C)(C)[NH+]1CCN(C(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 ZINC001129926385 1078619493 /nfs/dbraw/zinc/61/94/93/1078619493.db2.gz UFXYGEGEDMVMKD-FQEVSTJZSA-N 1 1 423.966 2.838 20 0 HFADMO COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC001129949693 1078624974 /nfs/dbraw/zinc/62/49/74/1078624974.db2.gz AKDQJCRVHVZTNN-ZDUSSCGKSA-N 1 1 412.556 2.778 20 0 HFADMO CN(CC[NH+]1CCN(Cc2ccccc2)CC1)c1ncnc2c1cnn2C(C)(C)C ZINC000804787908 1078644320 /nfs/dbraw/zinc/64/43/20/1078644320.db2.gz SVPRXCTTWBIQTI-UHFFFAOYSA-N 1 1 407.566 2.835 20 0 HFADMO COC[C@]1(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CCCN1C(=O)OC(C)(C)C ZINC000804788813 1078644911 /nfs/dbraw/zinc/64/49/11/1078644911.db2.gz VGAUDZQYCMJWRB-PGRDOPGGSA-N 1 1 405.539 2.822 20 0 HFADMO O=S(=O)(NCCNc1nc(N2CCCC2)cc[nH+]1)c1cccc(Cl)c1Cl ZINC000804789742 1078645690 /nfs/dbraw/zinc/64/56/90/1078645690.db2.gz PISKZEFKOSFUJC-UHFFFAOYSA-N 1 1 416.334 2.774 20 0 HFADMO C[C@@H]1CN(C(=O)C[C@@H]2COCCN2C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001129703161 1078661572 /nfs/dbraw/zinc/66/15/72/1078661572.db2.gz BSNLCRXDMDJAAA-UYAOXDASSA-N 1 1 417.550 2.745 20 0 HFADMO C[C@@H]1CN(C(=O)C[C@@H]2COCCN2C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001129703161 1078661575 /nfs/dbraw/zinc/66/15/75/1078661575.db2.gz BSNLCRXDMDJAAA-UYAOXDASSA-N 1 1 417.550 2.745 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CN(C)C(=O)OC(C)(C)C ZINC001129971191 1078665266 /nfs/dbraw/zinc/66/52/66/1078665266.db2.gz XNWGWNLYJIAJHD-RTBURBONSA-N 1 1 405.539 2.507 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000804828182 1078668231 /nfs/dbraw/zinc/66/82/31/1078668231.db2.gz KKDVVDWSXUCYGP-VWLOTQADSA-N 1 1 422.573 2.787 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000804829193 1078669751 /nfs/dbraw/zinc/66/97/51/1078669751.db2.gz NGISLRQPZBQORI-HXUWFJFHSA-N 1 1 400.567 2.672 20 0 HFADMO OC1(c2ccccc2)CN(c2cc(C3CC3)[nH+]c(N3CC(O)(c4ccccc4)C3)n2)C1 ZINC000804837433 1078679081 /nfs/dbraw/zinc/67/90/81/1078679081.db2.gz JPSFUTBDNWFSSX-UHFFFAOYSA-N 1 1 414.509 2.770 20 0 HFADMO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2CCC[N@@H+](CC)CC2)cc1 ZINC000747222618 1078748974 /nfs/dbraw/zinc/74/89/74/1078748974.db2.gz GNUVEFAZAQCGQC-UHFFFAOYSA-N 1 1 403.552 2.577 20 0 HFADMO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000804893416 1078751374 /nfs/dbraw/zinc/75/13/74/1078751374.db2.gz CCKRCGOTFHODGR-GOSISDBHSA-N 1 1 401.429 2.646 20 0 HFADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000804894956 1078752315 /nfs/dbraw/zinc/75/23/15/1078752315.db2.gz VAWRZJCZOXYPFV-HNNXBMFYSA-N 1 1 405.495 2.743 20 0 HFADMO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000804926681 1078782662 /nfs/dbraw/zinc/78/26/62/1078782662.db2.gz NKSMDZFWIYYMFT-WOJBJXKFSA-N 1 1 402.539 2.809 20 0 HFADMO CC(=O)OCCCS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000804991669 1078795105 /nfs/dbraw/zinc/79/51/05/1078795105.db2.gz HRUCRLZTXRTCTO-GOSISDBHSA-N 1 1 402.944 2.567 20 0 HFADMO CC(=O)OCCCS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000804991669 1078795108 /nfs/dbraw/zinc/79/51/08/1078795108.db2.gz HRUCRLZTXRTCTO-GOSISDBHSA-N 1 1 402.944 2.567 20 0 HFADMO Cc1nc(Cl)ccc1S(=O)(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000804968145 1078804940 /nfs/dbraw/zinc/80/49/40/1078804940.db2.gz SWFYJGOETKULNO-CQSZACIVSA-N 1 1 409.939 2.743 20 0 HFADMO Cc1nc(Cl)ccc1S(=O)(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000804968145 1078804947 /nfs/dbraw/zinc/80/49/47/1078804947.db2.gz SWFYJGOETKULNO-CQSZACIVSA-N 1 1 409.939 2.743 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@]1(COC)CCCN1C(=O)OC(C)(C)C ZINC000805100043 1078885958 /nfs/dbraw/zinc/88/59/58/1078885958.db2.gz RCFTZVRQLXOJMK-DYESRHJHSA-N 1 1 412.575 2.576 20 0 HFADMO CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000805074725 1078906613 /nfs/dbraw/zinc/90/66/13/1078906613.db2.gz OIEOUVMXCSMGSF-RDJZCZTQSA-N 1 1 401.429 2.632 20 0 HFADMO O=C(NC[C@H](OCC1CC1)c1ccc(Cl)cc1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000805075254 1078907408 /nfs/dbraw/zinc/90/74/08/1078907408.db2.gz VNCJEXQFSHMMLS-AQNXPRMDSA-N 1 1 407.942 2.970 20 0 HFADMO COC(=O)/C=C\c1ccc(S(=O)(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000805121363 1078912497 /nfs/dbraw/zinc/91/24/97/1078912497.db2.gz OTZPIZZLNMDAQV-JCKYIPBCSA-N 1 1 406.479 2.593 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(C(=O)N[C@@H]1CC[N@@H+](CC3CC3)C1)C2 ZINC000805136786 1078934129 /nfs/dbraw/zinc/93/41/29/1078934129.db2.gz JCOCNIDXRVUJIA-XMSQKQJNSA-N 1 1 406.571 2.903 20 0 HFADMO CCc1ccc([C@H](O)CNC(=O)N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000805148064 1078945104 /nfs/dbraw/zinc/94/51/04/1078945104.db2.gz RNFZTYQKSFLTTH-YSZBQJHXSA-N 1 1 411.546 2.871 20 0 HFADMO CCc1ccc([C@H](O)CNC(=O)N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000805148064 1078945105 /nfs/dbraw/zinc/94/51/05/1078945105.db2.gz RNFZTYQKSFLTTH-YSZBQJHXSA-N 1 1 411.546 2.871 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(C(=O)NC[C@@H]1CC[N@H+](C3CC3)C1)C2 ZINC000805182229 1078965672 /nfs/dbraw/zinc/96/56/72/1078965672.db2.gz WBLGAAWSPXEDLW-HTAPYJJXSA-N 1 1 406.571 2.903 20 0 HFADMO COCC(C)(C)[NH+]1CCN(C(=O)c2ccccc2SCC(=O)N2CCCC2)CC1 ZINC001130117714 1078987776 /nfs/dbraw/zinc/98/77/76/1078987776.db2.gz WUNFVNDMFPVFSX-UHFFFAOYSA-N 1 1 419.591 2.584 20 0 HFADMO Cc1cccc(F)c1CNC(=O)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000805300829 1078995588 /nfs/dbraw/zinc/99/55/88/1078995588.db2.gz GJGNWGZZKDUQIK-UHFFFAOYSA-N 1 1 419.541 2.680 20 0 HFADMO C[C@H](C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001130138896 1079007348 /nfs/dbraw/zinc/00/73/48/1079007348.db2.gz INRNPDVNJIBWBW-MCIONIFRSA-N 1 1 418.563 2.802 20 0 HFADMO Cn1ncc(Br)c1CC(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC001130140298 1079009135 /nfs/dbraw/zinc/00/91/35/1079009135.db2.gz YMVRRMXIUWBTFQ-UHFFFAOYSA-N 1 1 412.357 2.977 20 0 HFADMO C[C@@]1(CNC(=O)NCCn2cc(Br)cn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000805437049 1079063779 /nfs/dbraw/zinc/06/37/79/1079063779.db2.gz HGCISXHCOFAGDQ-IBGZPJMESA-N 1 1 420.355 2.857 20 0 HFADMO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000805417703 1079078117 /nfs/dbraw/zinc/07/81/17/1079078117.db2.gz JSCQBZRUXZGDDP-SFTDATJTSA-N 1 1 417.550 2.795 20 0 HFADMO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000805417703 1079078124 /nfs/dbraw/zinc/07/81/24/1079078124.db2.gz JSCQBZRUXZGDDP-SFTDATJTSA-N 1 1 417.550 2.795 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c(Cl)cc1Cl ZINC000747243930 1079085198 /nfs/dbraw/zinc/08/51/98/1079085198.db2.gz VWXYSZOLQJQAPR-SNVBAGLBSA-N 1 1 407.319 2.543 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)ccc1F ZINC000747253486 1079154077 /nfs/dbraw/zinc/15/40/77/1079154077.db2.gz LBXJDTDPIBOXFM-GOEBONIOSA-N 1 1 406.479 2.726 20 0 HFADMO C[C@H](OC(=O)C(C)(C)[NH+]1CCCC1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000805611175 1079174602 /nfs/dbraw/zinc/17/46/02/1079174602.db2.gz NWTUEURCBMYLQL-HIGJEIRPSA-N 1 1 405.539 2.587 20 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ZINC000805774492 1079247087 /nfs/dbraw/zinc/24/70/87/1079247087.db2.gz LRKFPVFWNRPFBS-MRXNPFEDSA-N 1 1 418.563 2.946 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCNS(=O)(=O)c1ccccc1)C2 ZINC000805793598 1079258326 /nfs/dbraw/zinc/25/83/26/1079258326.db2.gz IFXNADSLGYVZFU-NRFANRHFSA-N 1 1 423.579 2.688 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCNS(=O)(=O)c1ccccc1)C2 ZINC000805793598 1079258331 /nfs/dbraw/zinc/25/83/31/1079258331.db2.gz IFXNADSLGYVZFU-NRFANRHFSA-N 1 1 423.579 2.688 20 0 HFADMO CCOC(=O)N1CCC(NC(=O)C[N@@H+](C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000805793407 1079258377 /nfs/dbraw/zinc/25/83/77/1079258377.db2.gz YSUBZTKGJFNZLP-PMACEKPBSA-N 1 1 417.550 2.901 20 0 HFADMO Cn1cc(N2CCC[C@H]([N@@H+]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2=O)cn1 ZINC000805794122 1079259343 /nfs/dbraw/zinc/25/93/43/1079259343.db2.gz QPYHOQHUTTXAOO-PGRDOPGGSA-N 1 1 417.554 2.639 20 0 HFADMO Cn1cc(N2CCC[C@H]([N@H+]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2=O)cn1 ZINC000805794122 1079259346 /nfs/dbraw/zinc/25/93/46/1079259346.db2.gz QPYHOQHUTTXAOO-PGRDOPGGSA-N 1 1 417.554 2.639 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+](CC(=O)NCCOc1ccccc1)C2 ZINC000805795161 1079259662 /nfs/dbraw/zinc/25/96/62/1079259662.db2.gz HOMLTQNTIBSHNS-HSZRJFAPSA-N 1 1 417.550 2.905 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC(=O)NCCOc1ccccc1)C2 ZINC000805795161 1079259666 /nfs/dbraw/zinc/25/96/66/1079259666.db2.gz HOMLTQNTIBSHNS-HSZRJFAPSA-N 1 1 417.550 2.905 20 0 HFADMO Cc1cc(=O)n2nc(C[N@H+]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)sc2n1 ZINC000805793842 1079259862 /nfs/dbraw/zinc/25/98/62/1079259862.db2.gz KRTLGPOUDUHCSD-FQEVSTJZSA-N 1 1 419.551 2.682 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000805762791 1079265062 /nfs/dbraw/zinc/26/50/62/1079265062.db2.gz FKGVJZJGKGDYBX-OAHLLOKOSA-N 1 1 417.510 2.976 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000805762791 1079265066 /nfs/dbraw/zinc/26/50/66/1079265066.db2.gz FKGVJZJGKGDYBX-OAHLLOKOSA-N 1 1 417.510 2.976 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000805762213 1079264185 /nfs/dbraw/zinc/26/41/85/1079264185.db2.gz FOPGYKCRWWPVLJ-OALUTQOASA-N 1 1 402.539 2.957 20 0 HFADMO COC(=O)N1CCC(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000805832363 1079271936 /nfs/dbraw/zinc/27/19/36/1079271936.db2.gz WACBOKHVOPSNOO-SJLPKXTDSA-N 1 1 408.568 2.909 20 0 HFADMO COC[C@]1(C)CC[N@@H+](C[C@@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)C1 ZINC001170488897 1079274306 /nfs/dbraw/zinc/27/43/06/1079274306.db2.gz BJNSJFXPHFWOKB-IEBWSBKVSA-N 1 1 400.441 2.525 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000805765450 1079266079 /nfs/dbraw/zinc/26/60/79/1079266079.db2.gz LSDWBXUPUQIQDO-MRXNPFEDSA-N 1 1 408.543 2.620 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000805765964 1079268175 /nfs/dbraw/zinc/26/81/75/1079268175.db2.gz UJGJJJZOSKEWCB-CYBMUJFWSA-N 1 1 424.464 2.534 20 0 HFADMO CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]1C)C2=O ZINC001130369732 1079268184 /nfs/dbraw/zinc/26/81/84/1079268184.db2.gz IJUJVJMSUSZRRK-YMUULXQMSA-N 1 1 420.598 2.843 20 0 HFADMO COC(=O)c1cc(C)c(C)c(S(=O)(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)c1 ZINC000747267552 1079269552 /nfs/dbraw/zinc/26/95/52/1079269552.db2.gz GHHNFSWAADIARL-GOSISDBHSA-N 1 1 402.516 2.772 20 0 HFADMO COC(=O)c1cc(C)c(C)c(S(=O)(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)c1 ZINC000747267555 1079270032 /nfs/dbraw/zinc/27/00/32/1079270032.db2.gz GHHNFSWAADIARL-SFHVURJKSA-N 1 1 402.516 2.772 20 0 HFADMO CNC(=O)c1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)nn1 ZINC001130386060 1079288728 /nfs/dbraw/zinc/28/87/28/1079288728.db2.gz ZSDANEMTLGGWHE-RBUKOAKNSA-N 1 1 407.518 2.713 20 0 HFADMO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000805820563 1079291954 /nfs/dbraw/zinc/29/19/54/1079291954.db2.gz QOSBBUXLWXMXFZ-SJORKVTESA-N 1 1 407.580 2.531 20 0 HFADMO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000805826404 1079296568 /nfs/dbraw/zinc/29/65/68/1079296568.db2.gz YSGKMPPKPKUZJB-SFHVURJKSA-N 1 1 410.518 2.994 20 0 HFADMO CNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000805826404 1079296571 /nfs/dbraw/zinc/29/65/71/1079296571.db2.gz YSGKMPPKPKUZJB-SFHVURJKSA-N 1 1 410.518 2.994 20 0 HFADMO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000805826913 1079297050 /nfs/dbraw/zinc/29/70/50/1079297050.db2.gz CEZSQAGFFXAYHM-ROUUACIJSA-N 1 1 419.522 2.578 20 0 HFADMO CNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000805826913 1079297059 /nfs/dbraw/zinc/29/70/59/1079297059.db2.gz CEZSQAGFFXAYHM-ROUUACIJSA-N 1 1 419.522 2.578 20 0 HFADMO CNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000805828842 1079299038 /nfs/dbraw/zinc/29/90/38/1079299038.db2.gz RSJRLVKRDAQKSI-DZGCQCFKSA-N 1 1 417.428 2.973 20 0 HFADMO CNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000805828842 1079299040 /nfs/dbraw/zinc/29/90/40/1079299040.db2.gz RSJRLVKRDAQKSI-DZGCQCFKSA-N 1 1 417.428 2.973 20 0 HFADMO CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2COC(=O)NC2CCCCC2)C1 ZINC000805830053 1079300178 /nfs/dbraw/zinc/30/01/78/1079300178.db2.gz WMWOFDCBQWFGMG-HKUYNNGSSA-N 1 1 415.600 2.571 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(Cl)cc1Cl ZINC000747276185 1079340105 /nfs/dbraw/zinc/34/01/05/1079340105.db2.gz DIRVGTBQEUQRGC-MNOVXSKESA-N 1 1 409.335 2.883 20 0 HFADMO COC(=O)N1CCC(COC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000805939266 1079342730 /nfs/dbraw/zinc/34/27/30/1079342730.db2.gz DOXUUVPOZKFOIO-CALCHBBNSA-N 1 1 404.507 2.931 20 0 HFADMO COC(=O)N1CCC(COC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000805939266 1079342735 /nfs/dbraw/zinc/34/27/35/1079342735.db2.gz DOXUUVPOZKFOIO-CALCHBBNSA-N 1 1 404.507 2.931 20 0 HFADMO CC[C@@H]1CC([NH+]2CCN(S(=O)(=O)CC)CC2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170493870 1079361478 /nfs/dbraw/zinc/36/14/78/1079361478.db2.gz SUFOPDFQGICMAD-IAGOWNOFSA-N 1 1 417.616 2.910 20 0 HFADMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cn(Cc2ccccn2)nn1 ZINC001130458986 1079382952 /nfs/dbraw/zinc/38/29/52/1079382952.db2.gz YBQNLIPEXSQRDP-IPMKNSEASA-N 1 1 404.518 2.845 20 0 HFADMO CCNC(=O)Oc1cccc(OC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC001130489318 1079413095 /nfs/dbraw/zinc/41/30/95/1079413095.db2.gz CLVQBIVUANMDNK-WOJBJXKFSA-N 1 1 414.506 2.948 20 0 HFADMO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)C1 ZINC001130527384 1079436540 /nfs/dbraw/zinc/43/65/40/1079436540.db2.gz DYSZWYZEGJHTBL-SXWKCWPCSA-N 1 1 403.542 2.701 20 0 HFADMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)C1 ZINC001130527384 1079436543 /nfs/dbraw/zinc/43/65/43/1079436543.db2.gz DYSZWYZEGJHTBL-SXWKCWPCSA-N 1 1 403.542 2.701 20 0 HFADMO CCc1nc([C@@H](C)NC(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000806110580 1079440500 /nfs/dbraw/zinc/44/05/00/1079440500.db2.gz ICABEXBQJNJCCC-OPAMFIHVSA-N 1 1 414.575 2.911 20 0 HFADMO O=C(CCNC(=O)c1ccc(Br)cc1)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001130517973 1079448816 /nfs/dbraw/zinc/44/88/16/1079448816.db2.gz BRXYKRGKABDIFT-DLBZAZTESA-N 1 1 408.340 2.702 20 0 HFADMO C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CCOCC1 ZINC001130518916 1079450222 /nfs/dbraw/zinc/45/02/22/1079450222.db2.gz QUXKGSZDGKDRNA-KSZLIROESA-N 1 1 409.571 2.830 20 0 HFADMO CC(C)C[N@@H+](C)CCCNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001130523917 1079459591 /nfs/dbraw/zinc/45/95/91/1079459591.db2.gz PRLVNFIAOJRPDZ-HNNXBMFYSA-N 1 1 410.356 2.896 20 0 HFADMO COc1ccc(C(=O)Nc2ccc(OCCC[NH+]3CCN(C)CC3)cc2)cc1OC ZINC001130541321 1079461821 /nfs/dbraw/zinc/46/18/21/1079461821.db2.gz AJDGTUXEERQWCB-UHFFFAOYSA-N 1 1 413.518 2.972 20 0 HFADMO Cn1nc2ccccc2c1C(=O)Nc1ccc(OCCC[NH+]2CCN(C)CC2)cc1 ZINC001130542498 1079463286 /nfs/dbraw/zinc/46/32/86/1079463286.db2.gz WWLPEAXUKGGOQF-UHFFFAOYSA-N 1 1 407.518 2.842 20 0 HFADMO CCOC(=O)CC(C)(C)CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001130529665 1079465842 /nfs/dbraw/zinc/46/58/42/1079465842.db2.gz XIVSETQPSDXLFR-VQTJNVASSA-N 1 1 402.535 2.858 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)[nH]n2)C1 ZINC000787333758 1076745647 /nfs/dbraw/zinc/74/56/47/1076745647.db2.gz BEGAIKSKRNBEEU-DLBZAZTESA-N 1 1 417.554 2.835 20 0 HFADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCSCc1ccnc(Cl)c1 ZINC000787315002 1076759377 /nfs/dbraw/zinc/75/93/77/1076759377.db2.gz VOXJYJOXXHLYGM-HNNXBMFYSA-N 1 1 412.987 2.863 20 0 HFADMO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000787323195 1076766906 /nfs/dbraw/zinc/76/69/06/1076766906.db2.gz ARYNJTNROFFFOW-SCTDSRPQSA-N 1 1 424.586 2.527 20 0 HFADMO CC(C)CN(CC[NH+](C)C)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787323734 1076767018 /nfs/dbraw/zinc/76/70/18/1076767018.db2.gz QEFVPMUKAFMYLR-MRXNPFEDSA-N 1 1 407.559 2.794 20 0 HFADMO C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001170072351 1076772961 /nfs/dbraw/zinc/77/29/61/1076772961.db2.gz KDNAIAPDZVIXEA-SJORKVTESA-N 1 1 405.502 2.587 20 0 HFADMO CC[NH+](CC)[C@@H](CNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)Cc1ccccc1 ZINC000746680431 1076776620 /nfs/dbraw/zinc/77/66/20/1076776620.db2.gz BBMQLTVAASAOFZ-GOSISDBHSA-N 1 1 424.570 2.755 20 0 HFADMO COC(=O)[C@]1(NC(=O)c2ccc(NC(C)C)nc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000787428481 1076802040 /nfs/dbraw/zinc/80/20/40/1076802040.db2.gz WXXDUGGLAGUTST-QHCPKHFHSA-N 1 1 410.518 2.840 20 0 HFADMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787387423 1076804541 /nfs/dbraw/zinc/80/45/41/1076804541.db2.gz YSTSVQMSFNPXEC-QAPCUYQASA-N 1 1 405.543 2.546 20 0 HFADMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787387423 1076804546 /nfs/dbraw/zinc/80/45/46/1076804546.db2.gz YSTSVQMSFNPXEC-QAPCUYQASA-N 1 1 405.543 2.546 20 0 HFADMO Cc1cc(C(=O)C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c(C)n1NC(=O)c1ccccc1 ZINC000746681198 1076812919 /nfs/dbraw/zinc/81/29/19/1076812919.db2.gz WKBBJLFNJCEKMT-IBGZPJMESA-N 1 1 419.529 2.970 20 0 HFADMO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c(C)n1NC(=O)c1ccccc1 ZINC000746681198 1076812929 /nfs/dbraw/zinc/81/29/29/1076812929.db2.gz WKBBJLFNJCEKMT-IBGZPJMESA-N 1 1 419.529 2.970 20 0 HFADMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787448196 1076814818 /nfs/dbraw/zinc/81/48/18/1076814818.db2.gz BQFOBAQHKRBWEL-GPMSIDNRSA-N 1 1 417.554 2.690 20 0 HFADMO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787448196 1076814823 /nfs/dbraw/zinc/81/48/23/1076814823.db2.gz BQFOBAQHKRBWEL-GPMSIDNRSA-N 1 1 417.554 2.690 20 0 HFADMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787448196 1076814828 /nfs/dbraw/zinc/81/48/28/1076814828.db2.gz BQFOBAQHKRBWEL-GPMSIDNRSA-N 1 1 417.554 2.690 20 0 HFADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)Nc3cc(C)cnc3Cl)CC2)CC1 ZINC000787447496 1076815090 /nfs/dbraw/zinc/81/50/90/1076815090.db2.gz SJOBTGLBFIJBEC-UHFFFAOYSA-N 1 1 407.946 2.842 20 0 HFADMO CCN(C(=O)c1cc(NC(=O)C(=O)NCC[N@H+]2CCC[C@H]2C)ccc1Cl)C(C)C ZINC000787507478 1076829719 /nfs/dbraw/zinc/82/97/19/1076829719.db2.gz DGIQXASKJYXKRD-OAHLLOKOSA-N 1 1 422.957 2.750 20 0 HFADMO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000746687566 1076832832 /nfs/dbraw/zinc/83/28/32/1076832832.db2.gz HUYKJLFOGMSZFN-HUUCEWRRSA-N 1 1 402.564 2.558 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H](c2ccccc2C)C2CC2)cn1 ZINC000787477824 1076837646 /nfs/dbraw/zinc/83/76/46/1076837646.db2.gz MQCCUGAJBZYJLR-NRFANRHFSA-N 1 1 403.486 2.768 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCCCC[C@@H]2c2ccncc2)cn1 ZINC000787480043 1076838621 /nfs/dbraw/zinc/83/86/21/1076838621.db2.gz BAFTVCXFRQXTMS-HXUWFJFHSA-N 1 1 418.501 2.731 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)cn1 ZINC000787478503 1076838689 /nfs/dbraw/zinc/83/86/89/1076838689.db2.gz QAQYFDRTBMEHFG-YCRPNKLZSA-N 1 1 421.476 2.941 20 0 HFADMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C[C@@H]1C ZINC000787483235 1076840168 /nfs/dbraw/zinc/84/01/68/1076840168.db2.gz PCGCKDANSCBFOA-HRCADAONSA-N 1 1 405.543 2.689 20 0 HFADMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C[C@@H]1C ZINC000787483238 1076840307 /nfs/dbraw/zinc/84/03/07/1076840307.db2.gz PCGCKDANSCBFOA-JYJNAYRXSA-N 1 1 405.543 2.689 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)cn1 ZINC000787484027 1076841671 /nfs/dbraw/zinc/84/16/71/1076841671.db2.gz IVYWYTZMMJSRKT-PZJWPPBQSA-N 1 1 417.513 2.720 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)cn1 ZINC000787483913 1076841942 /nfs/dbraw/zinc/84/19/42/1076841942.db2.gz BCTJLBLAUJUPTR-HOCLYGCPSA-N 1 1 423.439 2.677 20 0 HFADMO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787483798 1076842021 /nfs/dbraw/zinc/84/20/21/1076842021.db2.gz TZKUUIKRKVCSQN-NVXWUHKLSA-N 1 1 419.570 2.936 20 0 HFADMO CC[C@H](CSc1ccccc1)NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000787487507 1076844301 /nfs/dbraw/zinc/84/43/01/1076844301.db2.gz DIRRMTGKCCMOKN-GOSISDBHSA-N 1 1 423.542 2.879 20 0 HFADMO CC(=O)N[C@H](CC(=O)OCCC[NH+]1CCN(C(C)C)CC1)c1ccc(Cl)cc1 ZINC000787590827 1076862073 /nfs/dbraw/zinc/86/20/73/1076862073.db2.gz IVVDDIZSDOSDMH-HXUWFJFHSA-N 1 1 409.958 2.867 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)[nH]n2)C1 ZINC000787582067 1076871936 /nfs/dbraw/zinc/87/19/36/1076871936.db2.gz ROEMKBGTMCETRS-DOTOQJQBSA-N 1 1 417.554 2.881 20 0 HFADMO Cc1ncc(CCNC(=O)C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)s1 ZINC000787607772 1076876305 /nfs/dbraw/zinc/87/63/05/1076876305.db2.gz DJSDUGFKIPFGQW-GOSISDBHSA-N 1 1 420.966 2.717 20 0 HFADMO CC[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1c1cc(C)on1)[N@H+]1CCc2ccccc2C1 ZINC000787632928 1076885134 /nfs/dbraw/zinc/88/51/34/1076885134.db2.gz UNVUSPDMUAETGJ-PZJWPPBQSA-N 1 1 410.518 2.600 20 0 HFADMO COc1ccccc1N1CC[NH+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000787688096 1076911899 /nfs/dbraw/zinc/91/18/99/1076911899.db2.gz NKJHDBBSTMKDQS-SIKLNZKXSA-N 1 1 405.539 2.578 20 0 HFADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)C1 ZINC000787707333 1076919784 /nfs/dbraw/zinc/91/97/84/1076919784.db2.gz DFKCMZWSOCFYKB-MRUHUIDDSA-N 1 1 413.559 2.593 20 0 HFADMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)C1 ZINC000787707470 1076919796 /nfs/dbraw/zinc/91/97/96/1076919796.db2.gz FVCBLDLSISYNSU-RQXXJAGISA-N 1 1 411.587 2.764 20 0 HFADMO Cc1cc(N2CC[NH+](CCOCCNC(=O)OC(C)(C)C)CC2)nc(C(C)C)n1 ZINC000787708958 1076921094 /nfs/dbraw/zinc/92/10/94/1076921094.db2.gz VMHZEVOYIUCRPI-UHFFFAOYSA-N 1 1 407.559 2.572 20 0 HFADMO C[N@@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000787731905 1076934397 /nfs/dbraw/zinc/93/43/97/1076934397.db2.gz UCNZCDRSXWDXGS-UHFFFAOYSA-N 1 1 417.959 2.819 20 0 HFADMO COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)Nc3cc(C)cnc3Cl)CC2)cc1 ZINC000787873321 1076969951 /nfs/dbraw/zinc/96/99/51/1076969951.db2.gz FLRVOODGIWSUAT-UHFFFAOYSA-N 1 1 416.909 2.725 20 0 HFADMO COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)Nc3cc(C)cnc3Cl)CC2)cc1 ZINC000787873321 1076969953 /nfs/dbraw/zinc/96/99/53/1076969953.db2.gz FLRVOODGIWSUAT-UHFFFAOYSA-N 1 1 416.909 2.725 20 0 HFADMO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000787885595 1076977223 /nfs/dbraw/zinc/97/72/23/1076977223.db2.gz KNUQPFVANNZDKN-UHFFFAOYSA-N 1 1 406.490 2.568 20 0 HFADMO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000787885595 1076977226 /nfs/dbraw/zinc/97/72/26/1076977226.db2.gz KNUQPFVANNZDKN-UHFFFAOYSA-N 1 1 406.490 2.568 20 0 HFADMO Cc1ccc(N2CCCN(C(=O)C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000787903438 1076987984 /nfs/dbraw/zinc/98/79/84/1076987984.db2.gz LHUWIWUXTRYDJT-NRFANRHFSA-N 1 1 414.594 2.805 20 0 HFADMO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000787904270 1076988604 /nfs/dbraw/zinc/98/86/04/1076988604.db2.gz QVPRXMXDSQZFTG-RTWAWAEBSA-N 1 1 414.594 2.851 20 0 HFADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC2CCC(O)(c3ccccc3)CC2)C1 ZINC000787907065 1076990116 /nfs/dbraw/zinc/99/01/16/1076990116.db2.gz BOLGEPHORYBVEQ-JVIIGWRGSA-N 1 1 415.578 2.561 20 0 HFADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCC([C@H](O)c3ccccc3)CC2)C1 ZINC000787909287 1076990927 /nfs/dbraw/zinc/99/09/27/1076990927.db2.gz MICFLVSENSVHAX-DENIHFKCSA-N 1 1 415.578 2.587 20 0 HFADMO C[C@H](Cc1ccco1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000787972970 1077013904 /nfs/dbraw/zinc/01/39/04/1077013904.db2.gz FZXNZUPUMKHADX-FRIZHTMISA-N 1 1 421.900 2.929 20 0 HFADMO C[C@H](Cc1ccco1)NC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000787941000 1077018148 /nfs/dbraw/zinc/01/81/48/1077018148.db2.gz ORIUCJIGCXMJGC-CMCXCUNFSA-N 1 1 409.530 2.744 20 0 HFADMO Cc1nn(C)c(Cl)c1C[N@H+](C)CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000788008117 1077027357 /nfs/dbraw/zinc/02/73/57/1077027357.db2.gz JAMATEJSFYFLSS-UHFFFAOYSA-N 1 1 407.921 2.692 20 0 HFADMO Cc1nn(C)c(Cl)c1C[N@@H+](C)CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000788008117 1077027361 /nfs/dbraw/zinc/02/73/61/1077027361.db2.gz JAMATEJSFYFLSS-UHFFFAOYSA-N 1 1 407.921 2.692 20 0 HFADMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)[C@@H](C)C1 ZINC000788038229 1077036433 /nfs/dbraw/zinc/03/64/33/1077036433.db2.gz YXRUOKHHJDYDIH-LSDHHAIUSA-N 1 1 412.987 2.812 20 0 HFADMO CC(C)[N@H+]1CCO[C@H](COC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)C1 ZINC000788040977 1077037925 /nfs/dbraw/zinc/03/79/25/1077037925.db2.gz KMFFYZXGKSYCSZ-IBGZPJMESA-N 1 1 421.497 2.711 20 0 HFADMO O=C(NOC[C@@H]1CCOC1)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000788089514 1077055607 /nfs/dbraw/zinc/05/56/07/1077055607.db2.gz DACGEPRNCVHZPX-OAHLLOKOSA-N 1 1 401.429 2.937 20 0 HFADMO CCCCc1ccc(N2C[C@@H](C(=O)NC3CCN(c4[nH+]ccn4C)CC3)CC2=O)cc1 ZINC000788174977 1077066977 /nfs/dbraw/zinc/06/69/77/1077066977.db2.gz FCHAIVVVPAPMMZ-IBGZPJMESA-N 1 1 423.561 2.901 20 0 HFADMO COc1cc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cnc1Br ZINC000788157413 1077071243 /nfs/dbraw/zinc/07/12/43/1077071243.db2.gz SRWDPPIXNMZWEH-UHFFFAOYSA-N 1 1 420.307 2.615 20 0 HFADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cnc(Br)c(OC)c2)[C@@H](C)C1 ZINC000788222044 1077082685 /nfs/dbraw/zinc/08/26/85/1077082685.db2.gz HIRKKHDGICVCMM-ZFWWWQNUSA-N 1 1 414.344 2.720 20 0 HFADMO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(OCCS(C)(=O)=O)c2)[C@H]1c1ccccc1 ZINC000788288192 1077099006 /nfs/dbraw/zinc/09/90/06/1077099006.db2.gz ZDXVQFGXXWZZJN-WOJBJXKFSA-N 1 1 417.531 2.677 20 0 HFADMO CC(C)(C)SCCNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000788347925 1077113238 /nfs/dbraw/zinc/11/32/38/1077113238.db2.gz ZQASNUYOFMWNDL-UHFFFAOYSA-N 1 1 413.534 2.693 20 0 HFADMO CCCN(Cn1nc(-c2cnn(C)c2)ccc1=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000788367964 1077128837 /nfs/dbraw/zinc/12/88/37/1077128837.db2.gz LQEIHLTYMBETEJ-QFIPXVFZSA-N 1 1 420.561 2.978 20 0 HFADMO CC1(C)CCN(CN2C(=O)N[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)CCS1 ZINC000788377018 1077133602 /nfs/dbraw/zinc/13/36/02/1077133602.db2.gz DFRFGEQVRYVFSX-QFIPXVFZSA-N 1 1 416.591 2.748 20 0 HFADMO COc1cccc([C@@H]2[C@H](NC(=O)C(=O)NCCSC(C)(C)C)CC[N@@H+]2C2CC2)c1 ZINC000788378430 1077135037 /nfs/dbraw/zinc/13/50/37/1077135037.db2.gz FQXCQIXWEWXGJV-RTBURBONSA-N 1 1 419.591 2.737 20 0 HFADMO COc1cccc([C@@H]2[C@H](NC(=O)C(=O)NCCSC(C)(C)C)CC[N@H+]2C2CC2)c1 ZINC000788378430 1077135039 /nfs/dbraw/zinc/13/50/39/1077135039.db2.gz FQXCQIXWEWXGJV-RTBURBONSA-N 1 1 419.591 2.737 20 0 HFADMO Cc1nc(-c2ccc(Br)cc2)nn1C[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000788379635 1077135313 /nfs/dbraw/zinc/13/53/13/1077135313.db2.gz WQDCAZRDINVUPL-AWEZNQCLSA-N 1 1 408.344 2.626 20 0 HFADMO Cc1nc(-c2ccc(Br)cc2)nn1C[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000788379635 1077135315 /nfs/dbraw/zinc/13/53/15/1077135315.db2.gz WQDCAZRDINVUPL-AWEZNQCLSA-N 1 1 408.344 2.626 20 0 HFADMO COc1cc2c(cc1OC)N(CN1CCC(c3[nH+]cc4n3CCCC4)CC1)C(=O)C2=O ZINC000788382993 1077137542 /nfs/dbraw/zinc/13/75/42/1077137542.db2.gz RRQLCIPWYYRSSY-UHFFFAOYSA-N 1 1 424.501 2.603 20 0 HFADMO C[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1cnccc1NC(=O)OC(C)(C)C ZINC000788428731 1077143536 /nfs/dbraw/zinc/14/35/36/1077143536.db2.gz GCGLQCWWIAXUJI-MRXNPFEDSA-N 1 1 413.522 2.933 20 0 HFADMO Cc1ccc(O[C@H](C)CNC(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000788414218 1077157729 /nfs/dbraw/zinc/15/77/29/1077157729.db2.gz VMBZKCNYOCIYAH-NLFFAJNJSA-N 1 1 423.557 2.907 20 0 HFADMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000788476654 1077172543 /nfs/dbraw/zinc/17/25/43/1077172543.db2.gz SEDSHPBPJOEMHE-RTBURBONSA-N 1 1 410.603 2.556 20 0 HFADMO C[C@H]([NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1nc(Br)ccc1F ZINC000788585864 1077213277 /nfs/dbraw/zinc/21/32/77/1077213277.db2.gz XAWZZHIXLXGDMF-YPMLDQLKSA-N 1 1 421.270 2.889 20 0 HFADMO COc1cc(C[NH2+][C@H](C)c2nc(Br)ccc2F)ccc1OCC(N)=O ZINC000788642371 1077243890 /nfs/dbraw/zinc/24/38/90/1077243890.db2.gz MHTBMBXKSIIRSA-SNVBAGLBSA-N 1 1 412.259 2.707 20 0 HFADMO Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(Cl)n1 ZINC000788682309 1077249010 /nfs/dbraw/zinc/24/90/10/1077249010.db2.gz LEMBTMRXVOWGGG-KRWDZBQOSA-N 1 1 409.939 2.613 20 0 HFADMO Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(Cl)n1 ZINC000788682309 1077249015 /nfs/dbraw/zinc/24/90/15/1077249015.db2.gz LEMBTMRXVOWGGG-KRWDZBQOSA-N 1 1 409.939 2.613 20 0 HFADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000788663774 1077258918 /nfs/dbraw/zinc/25/89/18/1077258918.db2.gz WQFHOQGYNNPKAW-NJDAHSKKSA-N 1 1 424.545 2.959 20 0 HFADMO C[C@H](Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788721244 1077271631 /nfs/dbraw/zinc/27/16/31/1077271631.db2.gz YQWWOSXWVLRRFG-SFHVURJKSA-N 1 1 418.582 2.980 20 0 HFADMO CN(C(=O)NCC[N@@H+]1CCc2sccc2C1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788749691 1077275892 /nfs/dbraw/zinc/27/58/92/1077275892.db2.gz YVUONORNGVRRMH-LJQANCHMSA-N 1 1 412.559 2.549 20 0 HFADMO CN(C(=O)NCC[N@H+]1CCc2sccc2C1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788749691 1077275894 /nfs/dbraw/zinc/27/58/94/1077275894.db2.gz YVUONORNGVRRMH-LJQANCHMSA-N 1 1 412.559 2.549 20 0 HFADMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](C[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)C1 ZINC001170147617 1077276221 /nfs/dbraw/zinc/27/62/21/1077276221.db2.gz ADGKQLZZUHWRIC-SCLBCKFNSA-N 1 1 422.444 2.582 20 0 HFADMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788751396 1077276535 /nfs/dbraw/zinc/27/65/35/1077276535.db2.gz YBKJHMDOVIMGLU-YOUFYPILSA-N 1 1 400.567 2.795 20 0 HFADMO CCOC(=O)[C@H]1[C@@H]([NH2+]C2(C(=O)Nc3ccccc3)CC2)CCN1C(=O)OC(C)(C)C ZINC000788765295 1077281136 /nfs/dbraw/zinc/28/11/36/1077281136.db2.gz MSMGNBUHRBMMMX-DLBZAZTESA-N 1 1 417.506 2.688 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)cn1 ZINC000788746999 1077288751 /nfs/dbraw/zinc/28/87/51/1077288751.db2.gz SHJMUYSFMWVAIW-FQEVSTJZSA-N 1 1 418.501 2.518 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(C(N)=O)c(OC(C)C)c2)cn1 ZINC000788771780 1077295721 /nfs/dbraw/zinc/29/57/21/1077295721.db2.gz AXJAJOUXFBTWRS-UHFFFAOYSA-N 1 1 408.462 2.784 20 0 HFADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)C1 ZINC000788777065 1077298016 /nfs/dbraw/zinc/29/80/16/1077298016.db2.gz JPHXLVYHPRVVJZ-QXAKKESOSA-N 1 1 415.534 2.797 20 0 HFADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)C1 ZINC000788777065 1077298021 /nfs/dbraw/zinc/29/80/21/1077298021.db2.gz JPHXLVYHPRVVJZ-QXAKKESOSA-N 1 1 415.534 2.797 20 0 HFADMO O=C([C@H]1CC12CC[NH+](CN1C(=O)C[C@@H](Cc3ccccc3)C1=O)CC2)N1CCCCC1 ZINC000788777003 1077298047 /nfs/dbraw/zinc/29/80/47/1077298047.db2.gz JEGAIIDHBRBGBS-NHCUHLMSSA-N 1 1 423.557 2.676 20 0 HFADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000788814720 1077306594 /nfs/dbraw/zinc/30/65/94/1077306594.db2.gz UDYNBDKOSHBWPT-NHCUHLMSSA-N 1 1 400.567 2.797 20 0 HFADMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000788914641 1077351578 /nfs/dbraw/zinc/35/15/78/1077351578.db2.gz ZJAGNXWZUDIGLO-QWRGUYRKSA-N 1 1 410.765 2.896 20 0 HFADMO COCC[N@@H+](C)CCCC1CCN(C(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000788946119 1077356638 /nfs/dbraw/zinc/35/66/38/1077356638.db2.gz GQMCQIOBMGSIKB-IBGZPJMESA-N 1 1 423.598 2.840 20 0 HFADMO CCN(Cc1ccc(OC)cc1OC)C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000746998615 1077368516 /nfs/dbraw/zinc/36/85/16/1077368516.db2.gz FSBNNXTZFZMEEJ-UHFFFAOYSA-N 1 1 423.473 2.580 20 0 HFADMO C[C@H](CNC(=O)Cc1cccnc1Br)[NH+]1CCN(c2ccccc2)CC1 ZINC000791320615 1077372745 /nfs/dbraw/zinc/37/27/45/1077372745.db2.gz CFXDFLDPKOQJRU-MRXNPFEDSA-N 1 1 417.351 2.714 20 0 HFADMO COC(=O)[C@H](C)C[N@@H+](CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)C1CC1 ZINC000772728680 1077380415 /nfs/dbraw/zinc/38/04/15/1077380415.db2.gz IHPBRHPUDWVRRI-ZACQAIPSSA-N 1 1 403.523 2.512 20 0 HFADMO CC[N@@H+]1CCc2nc(NC(=O)[C@@H]3CC(c4cc(OC)ccc4OC)=NO3)sc2C1 ZINC000791445687 1077410067 /nfs/dbraw/zinc/41/00/67/1077410067.db2.gz RBDNLGPLYJMHCI-KRWDZBQOSA-N 1 1 416.503 2.670 20 0 HFADMO CC[N@H+]1CCc2nc(NC(=O)[C@@H]3CC(c4cc(OC)ccc4OC)=NO3)sc2C1 ZINC000791445687 1077410070 /nfs/dbraw/zinc/41/00/70/1077410070.db2.gz RBDNLGPLYJMHCI-KRWDZBQOSA-N 1 1 416.503 2.670 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)C2)c1 ZINC000791478137 1077419791 /nfs/dbraw/zinc/41/97/91/1077419791.db2.gz JSNKQCKNCWIYJW-RBBKRZOGSA-N 1 1 409.486 2.712 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)C2)c1 ZINC000791478137 1077419795 /nfs/dbraw/zinc/41/97/95/1077419795.db2.gz JSNKQCKNCWIYJW-RBBKRZOGSA-N 1 1 409.486 2.712 20 0 HFADMO Nc1c(Br)cc(C(=O)OCCC[NH+]2CCOCC2)cc1Br ZINC000791482229 1077422074 /nfs/dbraw/zinc/42/20/74/1077422074.db2.gz IONPUGLSERKXSM-UHFFFAOYSA-N 1 1 422.117 2.673 20 0 HFADMO CCC1=C(C(=O)OCC(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)CCCO1 ZINC000791537962 1077458157 /nfs/dbraw/zinc/45/81/57/1077458157.db2.gz BPEMEHJFGCVXBL-UHFFFAOYSA-N 1 1 416.518 2.747 20 0 HFADMO O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000746790713 1077465754 /nfs/dbraw/zinc/46/57/54/1077465754.db2.gz RZOREHUTQKEQTH-UHFFFAOYSA-N 1 1 404.942 2.823 20 0 HFADMO CC(=O)c1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@H](C(F)(F)F)[C@H]3C)CC2)c(F)c1 ZINC000791582428 1077471608 /nfs/dbraw/zinc/47/16/08/1077471608.db2.gz AZXHJPIDSLORHM-CZUORRHYSA-N 1 1 415.431 2.950 20 0 HFADMO CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C(F)(F)F)[C@H]3C)CC2)c(F)c1 ZINC000791582428 1077471611 /nfs/dbraw/zinc/47/16/11/1077471611.db2.gz AZXHJPIDSLORHM-CZUORRHYSA-N 1 1 415.431 2.950 20 0 HFADMO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCN(CC(F)(F)F)C3)cc2Cl)CC1 ZINC000791553283 1077475268 /nfs/dbraw/zinc/47/52/68/1077475268.db2.gz MNAFRDPQPSRYOG-CYBMUJFWSA-N 1 1 404.864 2.915 20 0 HFADMO O=C(COC(=O)C12CC(c3ccccc3)(C1)C2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000791567264 1077483185 /nfs/dbraw/zinc/48/31/85/1077483185.db2.gz QQGGYCZCYFCHSV-UHFFFAOYSA-N 1 1 404.510 2.996 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc3ccccc3)C2)c1 ZINC000791590037 1077494157 /nfs/dbraw/zinc/49/41/57/1077494157.db2.gz SZQGUQAJZBMIDZ-ZHRRBRCNSA-N 1 1 411.502 2.834 20 0 HFADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)[C@H]2CC(=O)c3ccccc32)CC1 ZINC000789299909 1077505469 /nfs/dbraw/zinc/50/54/69/1077505469.db2.gz CUQNJGIJMBXLLP-UWJYYQICSA-N 1 1 406.482 2.805 20 0 HFADMO Cc1nc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cs1 ZINC001086600498 1077506953 /nfs/dbraw/zinc/50/69/53/1077506953.db2.gz WZHSXDIAUSHGMS-CSGHFTSRSA-N 1 1 409.555 2.959 20 0 HFADMO Cc1nc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cs1 ZINC001086600498 1077506955 /nfs/dbraw/zinc/50/69/55/1077506955.db2.gz WZHSXDIAUSHGMS-CSGHFTSRSA-N 1 1 409.555 2.959 20 0 HFADMO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789310299 1077509437 /nfs/dbraw/zinc/50/94/37/1077509437.db2.gz AKFPAIMFNMSREC-AWEZNQCLSA-N 1 1 416.909 2.952 20 0 HFADMO COC(=O)C1(NC(=O)C[NH+]2CCC(COc3ccc(Cl)nc3)CC2)CCCCC1 ZINC000789311456 1077509866 /nfs/dbraw/zinc/50/98/66/1077509866.db2.gz KLSVUYSOBOYJES-UHFFFAOYSA-N 1 1 423.941 2.818 20 0 HFADMO CCOc1nc(C)ccc1C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000791654399 1077513012 /nfs/dbraw/zinc/51/30/12/1077513012.db2.gz XZMNPUDVKDBZPB-UHFFFAOYSA-N 1 1 411.502 2.598 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC(=O)NCCOc1ccc(F)cc1 ZINC000789356064 1077514751 /nfs/dbraw/zinc/51/47/51/1077514751.db2.gz DCJGNKGFXOBCOB-MRXNPFEDSA-N 1 1 415.465 2.970 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC(=O)NCCOc1ccc(F)cc1 ZINC000789356064 1077514753 /nfs/dbraw/zinc/51/47/53/1077514753.db2.gz DCJGNKGFXOBCOB-MRXNPFEDSA-N 1 1 415.465 2.970 20 0 HFADMO O=C(CN1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC000789357868 1077515745 /nfs/dbraw/zinc/51/57/45/1077515745.db2.gz PTLJZFWVXNUEDU-UHFFFAOYSA-N 1 1 421.545 2.930 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3c[nH+]ccc3-n3cc(C)cn3)C2)c1 ZINC000791665349 1077518195 /nfs/dbraw/zinc/51/81/95/1077518195.db2.gz MHRYQIBIQXRWAM-FQEVSTJZSA-N 1 1 407.430 2.725 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)C2)c1 ZINC000791707675 1077521796 /nfs/dbraw/zinc/52/17/96/1077521796.db2.gz YCMPTOQLKWLDHB-YROCYRMSSA-N 1 1 423.513 2.834 20 0 HFADMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)c(N2CCOC2=O)c1 ZINC000746802344 1077528235 /nfs/dbraw/zinc/52/82/35/1077528235.db2.gz ZJFFWUXOBPYKPG-SFHVURJKSA-N 1 1 416.522 2.661 20 0 HFADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccnn1C1CCCC1 ZINC000746800569 1077529196 /nfs/dbraw/zinc/52/91/96/1077529196.db2.gz ANXKMIFFZNNFMK-LJQANCHMSA-N 1 1 409.534 2.917 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)cn1 ZINC000789383435 1077530957 /nfs/dbraw/zinc/53/09/57/1077530957.db2.gz XLHCHGQEKBHICH-UHFFFAOYSA-N 1 1 408.462 2.650 20 0 HFADMO CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H](O)C1CCCCC1 ZINC000789389523 1077534223 /nfs/dbraw/zinc/53/42/23/1077534223.db2.gz SXXBYGIDKKZIEJ-RBUKOAKNSA-N 1 1 411.587 2.813 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000789362671 1077538568 /nfs/dbraw/zinc/53/85/68/1077538568.db2.gz JCXPEQLXPCEBEV-OAHLLOKOSA-N 1 1 410.474 2.764 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000789363515 1077539099 /nfs/dbraw/zinc/53/90/99/1077539099.db2.gz FMFBGRWISGDSGH-CQSZACIVSA-N 1 1 407.492 2.680 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000789363515 1077539104 /nfs/dbraw/zinc/53/91/04/1077539104.db2.gz FMFBGRWISGDSGH-CQSZACIVSA-N 1 1 407.492 2.680 20 0 HFADMO C[C@@H](NC(=O)c1cccnc1S(=O)(=O)C(F)(F)F)[C@H](c1ccccc1)[NH+](C)C ZINC000791719608 1077539322 /nfs/dbraw/zinc/53/93/22/1077539322.db2.gz NRXHQWHHDQWADJ-IUODEOHRSA-N 1 1 415.437 2.796 20 0 HFADMO C[C@@H](CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)NC(=O)OC(C)(C)C ZINC000791790742 1077559141 /nfs/dbraw/zinc/55/91/41/1077559141.db2.gz NGOBSJQLVNNWET-INIZCTEOSA-N 1 1 406.527 2.596 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000791795185 1077559925 /nfs/dbraw/zinc/55/99/25/1077559925.db2.gz OUSRPYFNMKKBOF-UHFFFAOYSA-N 1 1 411.587 2.983 20 0 HFADMO O=C(OCCN1CC[NH+](Cc2ccsc2)CC1)c1ccc(O[C@H]2CCOC2)cc1 ZINC000789437695 1077572472 /nfs/dbraw/zinc/57/24/72/1077572472.db2.gz IDPWSMIEWYUNFK-NRFANRHFSA-N 1 1 416.543 2.890 20 0 HFADMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000791823242 1077574079 /nfs/dbraw/zinc/57/40/79/1077574079.db2.gz KWPJUGPXPYPQGL-HXUWFJFHSA-N 1 1 422.504 2.942 20 0 HFADMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nccn2c(Br)cnc12 ZINC000791828934 1077576838 /nfs/dbraw/zinc/57/68/38/1077576838.db2.gz RNXDZJZGHSGJGF-HNNXBMFYSA-N 1 1 414.307 2.744 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@H]2CCCN2c2ncnc3sccc32)CC1 ZINC000791840981 1077581330 /nfs/dbraw/zinc/58/13/30/1077581330.db2.gz COHGRHGIGYIUTJ-GOSISDBHSA-N 1 1 417.579 2.619 20 0 HFADMO CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791940579 1077600526 /nfs/dbraw/zinc/60/05/26/1077600526.db2.gz VVRGUSGANYACIK-AUCUJOAUSA-N 1 1 413.587 2.835 20 0 HFADMO C[C@]1(c2ccc(Br)cc2)NC(=O)N(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)C1=O ZINC000789507801 1077601268 /nfs/dbraw/zinc/60/12/68/1077601268.db2.gz PIMHGXKUOAFYPP-FRQCXROJSA-N 1 1 422.323 2.817 20 0 HFADMO C[C@]1(c2ccc(Br)cc2)NC(=O)N(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)C1=O ZINC000789507801 1077601272 /nfs/dbraw/zinc/60/12/72/1077601272.db2.gz PIMHGXKUOAFYPP-FRQCXROJSA-N 1 1 422.323 2.817 20 0 HFADMO O=C(CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccc(F)c(F)c1 ZINC000791974000 1077616399 /nfs/dbraw/zinc/61/63/99/1077616399.db2.gz LAVRQAKJOAQQEB-CALCHBBNSA-N 1 1 414.456 2.677 20 0 HFADMO CCNC(=O)C[C@H]1CCCC[N@@H+]1CN1C(=O)N[C@@](C)(c2ccc(F)cc2Cl)C1=O ZINC000789522817 1077617803 /nfs/dbraw/zinc/61/78/03/1077617803.db2.gz YKLHGGJEYQPGLT-VLIAUNLRSA-N 1 1 424.904 2.584 20 0 HFADMO CCNC(=O)C[C@H]1CCCC[N@H+]1CN1C(=O)N[C@@](C)(c2ccc(F)cc2Cl)C1=O ZINC000789522817 1077617810 /nfs/dbraw/zinc/61/78/10/1077617810.db2.gz YKLHGGJEYQPGLT-VLIAUNLRSA-N 1 1 424.904 2.584 20 0 HFADMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000791982051 1077622031 /nfs/dbraw/zinc/62/20/31/1077622031.db2.gz ODUKSQXADHDSHX-AGHHOFFYSA-N 1 1 404.514 2.573 20 0 HFADMO C[C@@]1(c2ccccc2Br)NC(=O)N(C[N@@H+]2CC[C@@]3(C2)CCCOC3)C1=O ZINC000789538496 1077633368 /nfs/dbraw/zinc/63/33/68/1077633368.db2.gz CBLYZBZGRMBHQG-RBUKOAKNSA-N 1 1 422.323 2.676 20 0 HFADMO C[C@@]1(c2ccccc2Br)NC(=O)N(C[N@H+]2CC[C@@]3(C2)CCCOC3)C1=O ZINC000789538496 1077633370 /nfs/dbraw/zinc/63/33/70/1077633370.db2.gz CBLYZBZGRMBHQG-RBUKOAKNSA-N 1 1 422.323 2.676 20 0 HFADMO CC[NH+]1CCN(c2ccc(C(=O)Oc3cccc(-c4ncn(C)n4)c3)cc2F)CC1 ZINC000789540625 1077634364 /nfs/dbraw/zinc/63/43/64/1077634364.db2.gz QYORUUKBOZYAHV-UHFFFAOYSA-N 1 1 409.465 2.982 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000792056591 1077661924 /nfs/dbraw/zinc/66/19/24/1077661924.db2.gz HIWRKLOAPZWGLO-IBGZPJMESA-N 1 1 416.566 2.572 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)c2ccnn2-c2ccccc2)CC1 ZINC000792063489 1077671147 /nfs/dbraw/zinc/67/11/47/1077671147.db2.gz YENFMSBXNDIVKD-UHFFFAOYSA-N 1 1 413.522 2.545 20 0 HFADMO Cn1ccnc1-c1cccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792066332 1077674301 /nfs/dbraw/zinc/67/43/01/1077674301.db2.gz KWVFROHOYRATNJ-UHFFFAOYSA-N 1 1 413.522 2.968 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2ccc(-n3cccn3)c(F)c2)CC1 ZINC000792066448 1077674394 /nfs/dbraw/zinc/67/43/94/1077674394.db2.gz LHMHIUDMZBPTAL-UHFFFAOYSA-N 1 1 417.485 2.893 20 0 HFADMO O=C([C@@H]1CCN(CC(F)(F)F)C1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000792038022 1077688921 /nfs/dbraw/zinc/68/89/21/1077688921.db2.gz HNQSDNVJSJQZRF-GOSISDBHSA-N 1 1 406.452 2.763 20 0 HFADMO CC(C)c1[nH]nc(C(=O)OCCC[NH+]2CCN(C(C)C)CC2)c1Br ZINC000792039295 1077689349 /nfs/dbraw/zinc/68/93/49/1077689349.db2.gz MLRKEJRFTXRNBW-UHFFFAOYSA-N 1 1 401.349 2.869 20 0 HFADMO CCN(Cc1ccc2c(c1)OCO2)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792040769 1077689799 /nfs/dbraw/zinc/68/97/99/1077689799.db2.gz QOGFHGFDSCMTJI-UHFFFAOYSA-N 1 1 419.522 2.707 20 0 HFADMO Cc1nc(C[NH+]2CCC(CNC(=O)NC[C@H](C)NC(=O)OC(C)(C)C)CC2)oc1C ZINC000792084755 1077708233 /nfs/dbraw/zinc/70/82/33/1077708233.db2.gz NSPMUENVXYYXSR-AWEZNQCLSA-N 1 1 423.558 2.716 20 0 HFADMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000746842277 1077715325 /nfs/dbraw/zinc/71/53/25/1077715325.db2.gz MCOKQKQWMFKBIJ-QRVBRYPASA-N 1 1 410.603 2.506 20 0 HFADMO C[C@H](O[NH+]=C(N)CCNC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000789645509 1077717697 /nfs/dbraw/zinc/71/76/97/1077717697.db2.gz PBRKUBPMDXGPCU-ZDUSSCGKSA-N 1 1 422.482 2.588 20 0 HFADMO COCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)C1 ZINC000792145475 1077721970 /nfs/dbraw/zinc/72/19/70/1077721970.db2.gz OCCNNBDQWUBCMF-MOPGFXCFSA-N 1 1 423.529 2.661 20 0 HFADMO COc1cccc2c1OCC[C@H]2NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792123021 1077729512 /nfs/dbraw/zinc/72/95/12/1077729512.db2.gz KKWJIKOWOYIQNV-QGZVFWFLSA-N 1 1 419.522 2.578 20 0 HFADMO CC(C)CC[C@H](NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000789692569 1077730621 /nfs/dbraw/zinc/73/06/21/1077730621.db2.gz AHSGZHTVBBSNHD-AABGKKOBSA-N 1 1 421.969 2.913 20 0 HFADMO O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000789669149 1077734438 /nfs/dbraw/zinc/73/44/38/1077734438.db2.gz STWJOBMZYQBRCK-NHCUHLMSSA-N 1 1 411.933 2.704 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC000792187184 1077738691 /nfs/dbraw/zinc/73/86/91/1077738691.db2.gz CNTUCDFAJGCAEE-HKUYNNGSSA-N 1 1 411.587 2.887 20 0 HFADMO CCOC(=O)Cc1cccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792193894 1077739995 /nfs/dbraw/zinc/73/99/95/1077739995.db2.gz LKSACWNDHIPRHQ-UHFFFAOYSA-N 1 1 419.522 2.674 20 0 HFADMO O=C1O[C@@H](C[NH+]2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)CC12CCC2 ZINC000792197870 1077741429 /nfs/dbraw/zinc/74/14/29/1077741429.db2.gz BDYRPDGAADPAQR-QGZVFWFLSA-N 1 1 416.909 2.993 20 0 HFADMO COc1ccccc1[C@]1(C)C[C@H]1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792197533 1077741749 /nfs/dbraw/zinc/74/17/49/1077741749.db2.gz YVXXWZZPXFOIJJ-XXBNENTESA-N 1 1 417.550 2.784 20 0 HFADMO COc1ccc(O[C@H](C)CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000792199759 1077742445 /nfs/dbraw/zinc/74/24/45/1077742445.db2.gz UFFWIFDFWGYZGX-QGZVFWFLSA-N 1 1 421.538 2.522 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N(C[C@H]2CCCO2)C2CCCC2)CC1 ZINC000792201107 1077743930 /nfs/dbraw/zinc/74/39/30/1077743930.db2.gz SSBNFWZJOHWMCT-LJQANCHMSA-N 1 1 409.571 2.879 20 0 HFADMO CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000792225507 1077750902 /nfs/dbraw/zinc/75/09/02/1077750902.db2.gz JHBYZNBCOSBLRF-MOPGFXCFSA-N 1 1 402.539 2.817 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000789725627 1077761357 /nfs/dbraw/zinc/76/13/57/1077761357.db2.gz UEBKUZOWCCGOEC-DLBZAZTESA-N 1 1 415.559 2.503 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000789725627 1077761362 /nfs/dbraw/zinc/76/13/62/1077761362.db2.gz UEBKUZOWCCGOEC-DLBZAZTESA-N 1 1 415.559 2.503 20 0 HFADMO Cc1ccccc1CC1CN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792211485 1077766479 /nfs/dbraw/zinc/76/64/79/1077766479.db2.gz HBXREPGSFPJLJI-UHFFFAOYSA-N 1 1 401.551 2.939 20 0 HFADMO CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC000789768674 1077770475 /nfs/dbraw/zinc/77/04/75/1077770475.db2.gz HRRXMODBPIFRMP-SFHVURJKSA-N 1 1 415.600 2.524 20 0 HFADMO CC(C)N1CC[NH+](C2CCN(C(=O)c3nc(Br)ccc3F)CC2)CC1 ZINC000792280704 1077773409 /nfs/dbraw/zinc/77/34/09/1077773409.db2.gz HACSSNFXYFVKQQ-UHFFFAOYSA-N 1 1 413.335 2.614 20 0 HFADMO CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792292836 1077777952 /nfs/dbraw/zinc/77/79/52/1077777952.db2.gz DNBANRPMYBYAFJ-OXQOHEQNSA-N 1 1 423.529 2.961 20 0 HFADMO CC[C@H](C)[C@@H]1CN(C[C@H]2CC3(CCC3)C(=O)O2)CC[N@H+]1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792260164 1077784625 /nfs/dbraw/zinc/78/46/25/1077784625.db2.gz NDDURUQEAGEJCY-YRPNKDGESA-N 1 1 418.578 2.990 20 0 HFADMO CC[C@H](C)[C@@H]1C[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)CCN1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792260164 1077784627 /nfs/dbraw/zinc/78/46/27/1077784627.db2.gz NDDURUQEAGEJCY-YRPNKDGESA-N 1 1 418.578 2.990 20 0 HFADMO CC[C@H](C)[C@@H]1C[N@@H+](C[C@H]2CC3(CCC3)C(=O)O2)CCN1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792260164 1077784629 /nfs/dbraw/zinc/78/46/29/1077784629.db2.gz NDDURUQEAGEJCY-YRPNKDGESA-N 1 1 418.578 2.990 20 0 HFADMO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000746853372 1077786138 /nfs/dbraw/zinc/78/61/38/1077786138.db2.gz UTMIGKAEPOORJK-IRXDYDNUSA-N 1 1 424.611 2.656 20 0 HFADMO C[C@H](C[C@H](O)c1cccs1)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792272235 1077788422 /nfs/dbraw/zinc/78/84/22/1077788422.db2.gz CDAJTNBFTYVZQG-CVEARBPZSA-N 1 1 411.568 2.619 20 0 HFADMO CN(C)c1ccc(NC(=O)CC[NH+]2CCC(CCCN3CCOCC3)CC2)cc1 ZINC000792276702 1077791234 /nfs/dbraw/zinc/79/12/34/1077791234.db2.gz BLJWVBSNFDGJKQ-UHFFFAOYSA-N 1 1 402.583 2.906 20 0 HFADMO 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20 0 HFADMO COCCOc1ccc(CNC(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1 ZINC000792911392 1078023528 /nfs/dbraw/zinc/02/35/28/1078023528.db2.gz XEGQQQXEISEEFS-FUHWJXTLSA-N 1 1 401.334 2.844 20 0 HFADMO O=C([C@@H]1COCCN1C1CCCC1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000792917427 1078025486 /nfs/dbraw/zinc/02/54/86/1078025486.db2.gz GRPVINHXYLRXEX-QFIPXVFZSA-N 1 1 408.546 2.522 20 0 HFADMO COC(=O)c1c2cnn(C[N@H+]3CCC[C@H](C4OCCO4)C3)c2ccc1Br ZINC000790445409 1078034334 /nfs/dbraw/zinc/03/43/34/1078034334.db2.gz ITVCYKJYZAJBPL-LBPRGKRZSA-N 1 1 424.295 2.628 20 0 HFADMO CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2nnnn2C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000790458243 1078037364 /nfs/dbraw/zinc/03/73/64/1078037364.db2.gz HBHPZMMOLRRIQW-UYHISHBKSA-N 1 1 419.480 2.870 20 0 HFADMO CC(C)[N@H+]1CC[C@H](NC(=O)N[C@@H](C)c2nnnn2C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000790458243 1078037370 /nfs/dbraw/zinc/03/73/70/1078037370.db2.gz HBHPZMMOLRRIQW-UYHISHBKSA-N 1 1 419.480 2.870 20 0 HFADMO 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CC[N@@H+](CCC1CCN(C(=O)C(=O)NCCc2ccc(Cl)nc2)CC1)CC1CC1 ZINC000806604332 1079845434 /nfs/dbraw/zinc/84/54/34/1079845434.db2.gz SKEZRNUHWHXDNJ-UHFFFAOYSA-N 1 1 420.985 2.754 20 0 HFADMO CCN(C(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000806727945 1079952375 /nfs/dbraw/zinc/95/23/75/1079952375.db2.gz GCVUTIQMCIITTM-JOCHJYFZSA-N 1 1 423.557 2.653 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000806735635 1079960899 /nfs/dbraw/zinc/96/08/99/1079960899.db2.gz ATKVMCMMGFRPAS-ZLNRFVROSA-N 1 1 409.530 2.795 20 0 HFADMO Cc1ccc(CC(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)c(Cl)n1 ZINC000806734914 1079961459 /nfs/dbraw/zinc/96/14/59/1079961459.db2.gz PUEIMLFVEIWIBV-KRWDZBQOSA-N 1 1 400.910 2.922 20 0 HFADMO COc1ccc([C@@H](CNC(=O)CSc2n[nH]c(=S)s2)[NH+]2CCCC2)cc1 ZINC000747348070 1079970984 /nfs/dbraw/zinc/97/09/84/1079970984.db2.gz JSLKVXQGRXZQNV-CQSZACIVSA-N 1 1 410.590 2.881 20 0 HFADMO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)CCC2 ZINC000806788333 1080009665 /nfs/dbraw/zinc/00/96/65/1080009665.db2.gz UBQMENLTZZYYSC-SJLPKXTDSA-N 1 1 404.580 2.858 20 0 HFADMO C[N@@H+]1CCN(C(=O)c2ccc(I)cn2)[C@@H](Cc2ccccc2)C1 ZINC001130751488 1080021358 /nfs/dbraw/zinc/02/13/58/1080021358.db2.gz JXHWMSXCFPDPPF-INIZCTEOSA-N 1 1 421.282 2.685 20 0 HFADMO C[N@H+]1CCN(C(=O)c2ccc(I)cn2)[C@@H](Cc2ccccc2)C1 ZINC001130751488 1080021369 /nfs/dbraw/zinc/02/13/69/1080021369.db2.gz JXHWMSXCFPDPPF-INIZCTEOSA-N 1 1 421.282 2.685 20 0 HFADMO C[N@@H+]1CCN(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1 ZINC000806891593 1080056891 /nfs/dbraw/zinc/05/68/91/1080056891.db2.gz QJNKQVZRFNVZGQ-GOSISDBHSA-N 1 1 404.555 2.858 20 0 HFADMO C[N@H+]1CCN(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1 ZINC000806891593 1080056901 /nfs/dbraw/zinc/05/69/01/1080056901.db2.gz QJNKQVZRFNVZGQ-GOSISDBHSA-N 1 1 404.555 2.858 20 0 HFADMO C[C@@H](CNC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000806865123 1080067116 /nfs/dbraw/zinc/06/71/16/1080067116.db2.gz PRGUFJSAOCQJCE-XUZZJYLKSA-N 1 1 424.589 2.815 20 0 HFADMO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000806917379 1080087391 /nfs/dbraw/zinc/08/73/91/1080087391.db2.gz RMOBYBUDFQQNEV-YSIASYRMSA-N 1 1 402.539 2.817 20 0 HFADMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)[C@H]1c1cccs1 ZINC000806923284 1080091398 /nfs/dbraw/zinc/09/13/98/1080091398.db2.gz GQTBPSXYHRMEST-IPYPFGDCSA-N 1 1 403.470 2.801 20 0 HFADMO C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C(C)(C)O)c2)CC[N@H+]1Cc1ccccc1 ZINC000806924153 1080093207 /nfs/dbraw/zinc/09/32/07/1080093207.db2.gz RDTBBGNJDOVUNY-SFHVURJKSA-N 1 1 409.530 2.976 20 0 HFADMO CCOC(=O)C1C[NH2+]CCC1=Nc1cc(-c2nnc(-c3ccno3)o2)cc(Cl)n1 ZINC001170514240 1080151665 /nfs/dbraw/zinc/15/16/65/1080151665.db2.gz XMEALBDKCOYPRR-UHFFFAOYSA-N 1 1 416.825 2.662 20 0 HFADMO CC(C)C1(O)CN(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000806974088 1080186127 /nfs/dbraw/zinc/18/61/27/1080186127.db2.gz TWSIFHZBIYFFBB-UHFFFAOYSA-N 1 1 410.356 2.826 20 0 HFADMO C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000807081339 1080230163 /nfs/dbraw/zinc/23/01/63/1080230163.db2.gz UQXOYWNTLMCZMU-PKOBYXMFSA-N 1 1 404.555 2.858 20 0 HFADMO C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000807081339 1080230182 /nfs/dbraw/zinc/23/01/82/1080230182.db2.gz UQXOYWNTLMCZMU-PKOBYXMFSA-N 1 1 404.555 2.858 20 0 HFADMO C[C@@H](CNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000807088375 1080267169 /nfs/dbraw/zinc/26/71/69/1080267169.db2.gz AFTGEOKISSSQRK-LQWHRVPQSA-N 1 1 401.551 2.507 20 0 HFADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000807089567 1080267687 /nfs/dbraw/zinc/26/76/87/1080267687.db2.gz HSYVEITZNQVFFE-KNQAVFIVSA-N 1 1 415.578 2.755 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000807092159 1080272372 /nfs/dbraw/zinc/27/23/72/1080272372.db2.gz SVKZDPGOXXLNPU-PMACEKPBSA-N 1 1 401.551 2.507 20 0 HFADMO C[N@@H+]1CCN(C(=O)NCc2ccc(N3CCOC3=O)cc2)C[C@H]1Cc1ccccc1 ZINC000807098067 1080275248 /nfs/dbraw/zinc/27/52/48/1080275248.db2.gz VNKCOJXBQSZITJ-OAQYLSRUSA-N 1 1 408.502 2.712 20 0 HFADMO C[N@H+]1CCN(C(=O)NCc2ccc(N3CCOC3=O)cc2)C[C@H]1Cc1ccccc1 ZINC000807098067 1080275253 /nfs/dbraw/zinc/27/52/53/1080275253.db2.gz VNKCOJXBQSZITJ-OAQYLSRUSA-N 1 1 408.502 2.712 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N(C)Cc1ccc(Cl)nc1 ZINC000807112661 1080289842 /nfs/dbraw/zinc/28/98/42/1080289842.db2.gz ACVAVLQGFCNZBG-VQIMIIECSA-N 1 1 414.937 2.720 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(Cl)nc1 ZINC000807112658 1080290020 /nfs/dbraw/zinc/29/00/20/1080290020.db2.gz ACVAVLQGFCNZBG-APWZRJJASA-N 1 1 414.937 2.720 20 0 HFADMO C[C@@]1(CNC(=O)C(=O)NC[C@H]2CCc3ccccc3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000807116922 1080292612 /nfs/dbraw/zinc/29/26/12/1080292612.db2.gz RALNIWRUOJIVOI-LVXARBLLSA-N 1 1 419.569 2.936 20 0 HFADMO CCOC(=O)N1CCC([C@H](C)NC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000807149581 1080306931 /nfs/dbraw/zinc/30/69/31/1080306931.db2.gz FCTWXWOAMIFMPA-GHTZIAJQSA-N 1 1 416.566 2.812 20 0 HFADMO CCOC(=O)N1CCC([C@H](C)NC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000807149581 1080306936 /nfs/dbraw/zinc/30/69/36/1080306936.db2.gz FCTWXWOAMIFMPA-GHTZIAJQSA-N 1 1 416.566 2.812 20 0 HFADMO CCOC(=O)N1CCC([C@@H](C)NC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000807150495 1080309120 /nfs/dbraw/zinc/30/91/20/1080309120.db2.gz SKYFRFOGNSZVEO-QGZVFWFLSA-N 1 1 402.539 2.769 20 0 HFADMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H]1CCCC12OCCO2 ZINC000807131536 1080331817 /nfs/dbraw/zinc/33/18/17/1080331817.db2.gz VEQVUOOZKBWXKF-IOMROCGXSA-N 1 1 401.551 2.992 20 0 HFADMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H]1CCCC12OCCO2 ZINC000807131536 1080331827 /nfs/dbraw/zinc/33/18/27/1080331827.db2.gz VEQVUOOZKBWXKF-IOMROCGXSA-N 1 1 401.551 2.992 20 0 HFADMO CCOC(=O)C1=C(Nc2ccc3c(n2)OCC[NH2+]C3)CCN(Cc2ccccc2)C1 ZINC001170522090 1080497174 /nfs/dbraw/zinc/49/71/74/1080497174.db2.gz XDGDPBJRSMQSDT-UHFFFAOYSA-N 1 1 408.502 2.699 20 0 HFADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)[C@@H](C)C1 ZINC000807318238 1080511038 /nfs/dbraw/zinc/51/10/38/1080511038.db2.gz HZOGJMVKSASCLY-KRWDZBQOSA-N 1 1 409.486 2.535 20 0 HFADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)[C@@H](C)C1 ZINC000807318238 1080511044 /nfs/dbraw/zinc/51/10/44/1080511044.db2.gz HZOGJMVKSASCLY-KRWDZBQOSA-N 1 1 409.486 2.535 20 0 HFADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)[C@@H](C)C1 ZINC000807318081 1080511615 /nfs/dbraw/zinc/51/16/15/1080511615.db2.gz FMGKYDDXFQKNIE-INIZCTEOSA-N 1 1 418.538 2.545 20 0 HFADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)[C@@H](C)C1 ZINC000807318081 1080511621 /nfs/dbraw/zinc/51/16/21/1080511621.db2.gz FMGKYDDXFQKNIE-INIZCTEOSA-N 1 1 418.538 2.545 20 0 HFADMO Cc1nc(-c2ccccc2NC(=O)C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)no1 ZINC000807413073 1080609754 /nfs/dbraw/zinc/60/97/54/1080609754.db2.gz BBKUUIDCAMRCEO-UHFFFAOYSA-N 1 1 411.462 2.557 20 0 HFADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)Nc1ccc(SC(F)F)nc1 ZINC000807413878 1080611877 /nfs/dbraw/zinc/61/18/77/1080611877.db2.gz YFBCMVOTYZUCBG-UHFFFAOYSA-N 1 1 412.462 2.908 20 0 HFADMO Cc1c(CNC(=O)OC(C)(C)C)c(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)nn1C ZINC001130970572 1080697169 /nfs/dbraw/zinc/69/71/69/1080697169.db2.gz BTRSRVPVPIVBDI-UHFFFAOYSA-N 1 1 411.466 2.586 20 0 HFADMO Cc1ccc(C2=CCN(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC(=O)N(C)C)CC2)cc1 ZINC000807513427 1080719611 /nfs/dbraw/zinc/71/96/11/1080719611.db2.gz BIJSPHUMPFCERI-FRIKZZABSA-N 1 1 410.562 2.877 20 0 HFADMO Cc1nc(-c2ccccc2NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)no1 ZINC000807542890 1080759361 /nfs/dbraw/zinc/75/93/61/1080759361.db2.gz GJTFUEMRPZABPH-KXBFYZLASA-N 1 1 419.485 2.763 20 0 HFADMO CCCOC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000807543972 1080759935 /nfs/dbraw/zinc/75/99/35/1080759935.db2.gz PEMTXFOYQOQRSZ-DYESRHJHSA-N 1 1 423.513 2.971 20 0 HFADMO COC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000807544743 1080761385 /nfs/dbraw/zinc/76/13/85/1080761385.db2.gz ZWCDEJFDHURVDB-KXBFYZLASA-N 1 1 410.474 2.583 20 0 HFADMO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000747404898 1080786830 /nfs/dbraw/zinc/78/68/30/1080786830.db2.gz JANKKHFUVRVAOO-CRAIPNDOSA-N 1 1 417.579 2.821 20 0 HFADMO COC[C@]1(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CCCN1C(=O)OC(C)(C)C ZINC000807554377 1080803253 /nfs/dbraw/zinc/80/32/53/1080803253.db2.gz TWRHDXLVJYLNTC-JBYIUTFZSA-N 1 1 424.586 2.528 20 0 HFADMO COC[C@]1(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCN1C(=O)OC(C)(C)C ZINC000807554638 1080805580 /nfs/dbraw/zinc/80/55/80/1080805580.db2.gz YPKNCUMKKXEXIJ-XSHPBHPISA-N 1 1 424.586 2.669 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000807557446 1080807663 /nfs/dbraw/zinc/80/76/63/1080807663.db2.gz BHFREHBRDDKTLG-KSSFIOAISA-N 1 1 420.966 2.920 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000807557448 1080807694 /nfs/dbraw/zinc/80/76/94/1080807694.db2.gz BHFREHBRDDKTLG-RDTXWAMCSA-N 1 1 420.966 2.920 20 0 HFADMO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1nnnn1-c1ccccc1Br ZINC001176589233 1126149828 /nfs/dbraw/zinc/14/98/28/1126149828.db2.gz VTLKBTXKARNQFC-SFHVURJKSA-N 1 1 420.286 2.647 20 0 HFADMO COc1cccc(-c2nnc(C[NH2+][C@](C)(CO)Cc3ccc(OC)c(OC)c3)o2)c1 ZINC001198230461 1126155833 /nfs/dbraw/zinc/15/58/33/1126155833.db2.gz QSZGCOKHOYNWEI-QFIPXVFZSA-N 1 1 413.474 2.846 20 0 HFADMO O=C(c1ccc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1)N1CCOCC1 ZINC001164619601 719056887 /nfs/dbraw/zinc/05/68/87/719056887.db2.gz CXHYGIYDMLDUFI-FCHUYYIVSA-N 1 1 406.530 2.655 20 0 HFADMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC001164643610 719217736 /nfs/dbraw/zinc/21/77/36/719217736.db2.gz ZPIKZRRSUGIPLL-WOJBJXKFSA-N 1 1 407.562 2.568 20 0 HFADMO COCCN1CC[N@H+](C)C2(CCN(c3ncnc4ccc(C(C)C)cc43)CC2)C1=O ZINC001164644664 719280364 /nfs/dbraw/zinc/28/03/64/719280364.db2.gz PDLDFLRWWKMESD-UHFFFAOYSA-N 1 1 411.550 2.513 20 0 HFADMO COCCN1CC[N@@H+](C)C2(CCN(c3ncnc4ccc(C(C)C)cc43)CC2)C1=O ZINC001164644664 719280367 /nfs/dbraw/zinc/28/03/67/719280367.db2.gz PDLDFLRWWKMESD-UHFFFAOYSA-N 1 1 411.550 2.513 20 0 HFADMO O=C1CCCN1[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)C[C@@H]2CCCO[C@H]12 ZINC001164649171 719303934 /nfs/dbraw/zinc/30/39/34/719303934.db2.gz HCLITESGOXKHIP-CDXJDZJCSA-N 1 1 418.969 2.937 20 0 HFADMO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001164654554 719317764 /nfs/dbraw/zinc/31/77/64/719317764.db2.gz RSWJBLOKJIVIHM-CYBMUJFWSA-N 1 1 420.945 2.808 20 0 HFADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)CC2 ZINC001164652673 719317909 /nfs/dbraw/zinc/31/79/09/719317909.db2.gz KRZWCGFCCAVYQX-AWEZNQCLSA-N 1 1 420.945 2.699 20 0 HFADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N(C)C[C@H](O)CO)c23)C1 ZINC001164667932 719366225 /nfs/dbraw/zinc/36/62/25/719366225.db2.gz LTLXDYLZJPGQOL-CABCVRRESA-N 1 1 404.580 2.591 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncnc3c(-c4ccccc4)nsc31)CC2 ZINC001164689817 719742528 /nfs/dbraw/zinc/74/25/28/719742528.db2.gz KDMXZGYIALVYHB-UHFFFAOYSA-N 1 1 422.558 2.934 20 0 HFADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc(Cl)nc2C(N)=O)CC3)cs1 ZINC001164692993 719810386 /nfs/dbraw/zinc/81/03/86/719810386.db2.gz OPVKPFVYTUAGAI-UHFFFAOYSA-N 1 1 406.943 2.629 20 0 HFADMO COC[C@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)Cc2cn(C)nc21 ZINC001164694943 719831493 /nfs/dbraw/zinc/83/14/93/719831493.db2.gz JNJKIGSQCIMBNM-LJQANCHMSA-N 1 1 404.518 2.519 20 0 HFADMO COC[C@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)Cc2cn(C)nc21 ZINC001164694943 719831495 /nfs/dbraw/zinc/83/14/95/719831495.db2.gz JNJKIGSQCIMBNM-LJQANCHMSA-N 1 1 404.518 2.519 20 0 HFADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(SC)nc2ccccc21 ZINC001164701861 719857268 /nfs/dbraw/zinc/85/72/68/719857268.db2.gz LGJDOERHQUSRAU-VFNWGFHPSA-N 1 1 416.547 2.584 20 0 HFADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)nc2scc(C)c21 ZINC001164703789 719872733 /nfs/dbraw/zinc/87/27/33/719872733.db2.gz KNOPSDGRSBGZPV-QRWLVFNGSA-N 1 1 404.536 2.541 20 0 HFADMO Cn1cnc2c1nc(Cl)nc2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164694911 719890803 /nfs/dbraw/zinc/89/08/03/719890803.db2.gz GYRNJKLKUTXVQD-UHFFFAOYSA-N 1 1 418.954 2.950 20 0 HFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(C(=O)OC)n1)CC2 ZINC001164710073 720096458 /nfs/dbraw/zinc/09/64/58/720096458.db2.gz GQOWDVGINLKEJF-LJQANCHMSA-N 1 1 410.518 2.771 20 0 HFADMO CCOC(=O)c1cc2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COC)c2[nH]1 ZINC001164809058 720103099 /nfs/dbraw/zinc/10/30/99/720103099.db2.gz GNPGGEZWSISTAF-JPYJTQIMSA-N 1 1 412.534 2.924 20 0 HFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)N(C)C)cn1)CC2 ZINC001164714293 720112509 /nfs/dbraw/zinc/11/25/09/720112509.db2.gz BOWCDUYQHKAJOD-NRFANRHFSA-N 1 1 423.561 2.686 20 0 HFADMO COCc1cc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc(C)n1 ZINC001164718004 720113765 /nfs/dbraw/zinc/11/37/65/720113765.db2.gz PXWPYATZELQUNH-NRFANRHFSA-N 1 1 411.550 2.834 20 0 HFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3cccnc3n1)CC2 ZINC001164717454 720121709 /nfs/dbraw/zinc/12/17/09/720121709.db2.gz PCQNXTMXYAWHPP-FQEVSTJZSA-N 1 1 404.518 2.927 20 0 HFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3[nH]c(C)nc3n1)CC2 ZINC001164713103 720130253 /nfs/dbraw/zinc/13/02/53/720130253.db2.gz QYOHZPYJFIXKQF-GOSISDBHSA-N 1 1 407.522 2.515 20 0 HFADMO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3nc(C)[nH]c3n1)CC2 ZINC001164713103 720130257 /nfs/dbraw/zinc/13/02/57/720130257.db2.gz QYOHZPYJFIXKQF-GOSISDBHSA-N 1 1 407.522 2.515 20 0 HFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3nc(C)[nH]c3n1)CC2 ZINC001164713103 720130264 /nfs/dbraw/zinc/13/02/64/720130264.db2.gz QYOHZPYJFIXKQF-GOSISDBHSA-N 1 1 407.522 2.515 20 0 HFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3onc(C)c31)CC2 ZINC001164711729 720150727 /nfs/dbraw/zinc/15/07/27/720150727.db2.gz INHFQZNFFDRULD-SFHVURJKSA-N 1 1 408.506 2.829 20 0 HFADMO CCOC(=O)c1cnc2cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COC)[nH]cc1-2 ZINC001164817983 720158889 /nfs/dbraw/zinc/15/88/89/720158889.db2.gz QUXITNFNJYFGHX-GAJHUEQPSA-N 1 1 412.534 2.924 20 0 HFADMO CCOC(=O)c1cnc2cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)[nH]cc1-2 ZINC001164817983 720158893 /nfs/dbraw/zinc/15/88/93/720158893.db2.gz QUXITNFNJYFGHX-GAJHUEQPSA-N 1 1 412.534 2.924 20 0 HFADMO Cc1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc(-c2ccccn2)n1 ZINC001164813222 720234598 /nfs/dbraw/zinc/23/45/98/720234598.db2.gz LMQCPRBWUBNSBI-UHFFFAOYSA-N 1 1 419.533 2.654 20 0 HFADMO Cc1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc(-c2ccncc2)n1 ZINC001164813393 720234910 /nfs/dbraw/zinc/23/49/10/720234910.db2.gz NUCVONPTCFXAPQ-UHFFFAOYSA-N 1 1 419.533 2.654 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc4c(Cl)cccc43)C2)C1 ZINC001164718268 720244086 /nfs/dbraw/zinc/24/40/86/720244086.db2.gz DDUUAMASKYBYIH-OAQYLSRUSA-N 1 1 402.926 2.553 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc4c(Cl)cccc43)C2)C1 ZINC001164718268 720244089 /nfs/dbraw/zinc/24/40/89/720244089.db2.gz DDUUAMASKYBYIH-OAQYLSRUSA-N 1 1 402.926 2.553 20 0 HFADMO COc1nc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc(N2CCCCCC2)n1 ZINC001164734461 720431333 /nfs/dbraw/zinc/43/13/33/720431333.db2.gz SFKNZKBPEWOWHZ-RBUKOAKNSA-N 1 1 409.538 2.509 20 0 HFADMO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1C(=O)OCC ZINC001164722471 720484113 /nfs/dbraw/zinc/48/41/13/720484113.db2.gz AUGNSJSYWYUDOC-RTBURBONSA-N 1 1 424.501 2.683 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)c(F)cc3C(N)=O)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834748 720522953 /nfs/dbraw/zinc/52/29/53/720522953.db2.gz HLIABADHFZVABA-JKIFEVAISA-N 1 1 420.920 2.547 20 0 HFADMO Cc1nc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2[nH]1 ZINC001164841313 720526591 /nfs/dbraw/zinc/52/65/91/720526591.db2.gz YFVSIGMMFYQHDQ-OWCLPIDISA-N 1 1 414.945 2.889 20 0 HFADMO Cc1nc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH]1 ZINC001164841313 720526600 /nfs/dbraw/zinc/52/66/00/720526600.db2.gz YFVSIGMMFYQHDQ-OWCLPIDISA-N 1 1 414.945 2.889 20 0 HFADMO Cc1nc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH]1 ZINC001164841313 720526611 /nfs/dbraw/zinc/52/66/11/720526611.db2.gz YFVSIGMMFYQHDQ-OWCLPIDISA-N 1 1 414.945 2.889 20 0 HFADMO CC(C)c1nc(N(C)C)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164836820 720562083 /nfs/dbraw/zinc/56/20/83/720562083.db2.gz LGBTWRIVXALKGH-IPMKNSEASA-N 1 1 412.586 2.635 20 0 HFADMO CCCNC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164837157 720610268 /nfs/dbraw/zinc/61/02/68/720610268.db2.gz HHOJFJLNCBUQPB-QHAWAJNXSA-N 1 1 410.566 2.796 20 0 HFADMO Fc1cccc2nc(Cl)nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164738991 720667922 /nfs/dbraw/zinc/66/79/22/720667922.db2.gz LWMCPIZPCJNOPM-CHWSQXEVSA-N 1 1 400.845 2.554 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3c(n1)OCC(=O)N3)CC2 ZINC001164843378 720691016 /nfs/dbraw/zinc/69/10/16/720691016.db2.gz OXTBCXSPEDLYCC-GOSISDBHSA-N 1 1 408.502 2.672 20 0 HFADMO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742040 720697062 /nfs/dbraw/zinc/69/70/62/720697062.db2.gz VMOJGFPXNXVFEB-QWHCGFSZSA-N 1 1 420.851 2.893 20 0 HFADMO Clc1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(-c2ccccc2)nn1 ZINC001164741491 720698848 /nfs/dbraw/zinc/69/88/48/720698848.db2.gz TZHGERYYYDETRI-IRXDYDNUSA-N 1 1 408.893 2.929 20 0 HFADMO CON(C)C(=O)c1cccnc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164836452 720702515 /nfs/dbraw/zinc/70/25/15/720702515.db2.gz ATXVARBDFAIGEN-HXUWFJFHSA-N 1 1 424.545 2.975 20 0 HFADMO c1cn(C2CCCC2)c2ncnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164737799 720709226 /nfs/dbraw/zinc/70/92/26/720709226.db2.gz GYFPNEIXKFYXQV-QZTJIDSGSA-N 1 1 405.506 2.678 20 0 HFADMO Cc1cc2c(c(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)n1)C(=O)NC2=O ZINC001164842317 720710366 /nfs/dbraw/zinc/71/03/66/720710366.db2.gz YFISIWMOEXNVTM-SFHVURJKSA-N 1 1 420.513 2.534 20 0 HFADMO CCOC(=O)c1cc2ccccc2nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737170 720727033 /nfs/dbraw/zinc/72/70/33/720727033.db2.gz AJBREFAWMFIZCD-MSOLQXFVSA-N 1 1 419.485 2.543 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(C(N)=O)nc(C3CC3)n1)CC2 ZINC001164838704 720729446 /nfs/dbraw/zinc/72/94/46/720729446.db2.gz YASHSRWXIWTPHP-IBGZPJMESA-N 1 1 421.545 2.713 20 0 HFADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744089 720757352 /nfs/dbraw/zinc/75/73/52/720757352.db2.gz RDSNKIVVDWITIX-LSDHHAIUSA-N 1 1 402.930 2.868 20 0 HFADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744083 720757393 /nfs/dbraw/zinc/75/73/93/720757393.db2.gz RDSNKIVVDWITIX-HUUCEWRRSA-N 1 1 402.930 2.868 20 0 HFADMO Fc1ccc2nc(C(F)F)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164744223 720800258 /nfs/dbraw/zinc/80/02/58/720800258.db2.gz IBYDIQUZSRVCIW-KGLIPLIRSA-N 1 1 416.407 2.838 20 0 HFADMO FC(F)(N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164740883 720804855 /nfs/dbraw/zinc/80/48/55/720804855.db2.gz AQNPXEBPPQJNHW-CVEARBPZSA-N 1 1 421.879 2.987 20 0 HFADMO FC(F)(c1ccnc(Cl)n1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744189 720808350 /nfs/dbraw/zinc/80/83/50/720808350.db2.gz HWQYJONMCWHPGC-HRCADAONSA-N 1 1 423.899 2.646 20 0 HFADMO Clc1nc2cc[nH]c2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164744140 720808938 /nfs/dbraw/zinc/80/89/38/720808938.db2.gz HLCDQDTUKSZGQO-YQQAZPJKSA-N 1 1 412.929 2.582 20 0 HFADMO Fc1ccc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743346 720814444 /nfs/dbraw/zinc/81/44/44/720814444.db2.gz FGDPWKDWMXXHDP-DJPFJPOOSA-N 1 1 407.497 2.740 20 0 HFADMO CSc1cnc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744492 720831312 /nfs/dbraw/zinc/83/13/12/720831312.db2.gz URGGQPSQXJQYKJ-HRCADAONSA-N 1 1 419.986 2.823 20 0 HFADMO Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C)c1Cl ZINC001164749420 720834614 /nfs/dbraw/zinc/83/46/14/720834614.db2.gz VUSLWPLIEBUVER-OKZBNKHCSA-N 1 1 401.946 2.718 20 0 HFADMO COc1cccc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c21 ZINC001164744748 720849214 /nfs/dbraw/zinc/84/92/14/720849214.db2.gz LPBXQASSUNIXSI-NLWGTHIKSA-N 1 1 419.533 2.609 20 0 HFADMO COc1ccnc(Cl)c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751162 720854751 /nfs/dbraw/zinc/85/47/51/720854751.db2.gz QMPGCVNHMSLMSU-IXDOHACOSA-N 1 1 402.930 2.715 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)CC[C@H]2C1 ZINC001164851562 720855549 /nfs/dbraw/zinc/85/55/49/720855549.db2.gz AYYCMPNCVVDNMV-BBRMVZONSA-N 1 1 414.884 2.935 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(C)nc4sc5c(c43)CCC5)CC[C@H]2C1 ZINC001164864958 720874452 /nfs/dbraw/zinc/87/44/52/720874452.db2.gz XOEDGYDCHAJDFL-DOTOQJQBSA-N 1 1 402.564 2.662 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3ncnc4oc(-c5ccc(C)cc5)nc43)CC[C@@H]2C1 ZINC001164864704 720877709 /nfs/dbraw/zinc/87/77/09/720877709.db2.gz WOUPVBHLSWPDCS-MOPGFXCFSA-N 1 1 423.517 2.767 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(C4CC4)nnc3Cl)CC[C@H]2C1 ZINC001164853372 720877990 /nfs/dbraw/zinc/87/79/90/720877990.db2.gz CCTHBWZFDQPFAS-WMLDXEAASA-N 1 1 416.900 2.726 20 0 HFADMO COc1cncnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749953 720880917 /nfs/dbraw/zinc/88/09/17/720880917.db2.gz IEHWEPJXVULDCA-OFNKIYASSA-N 1 1 409.534 2.635 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nccc(SCc4ccccc4)n3)CC[C@@H]2C1 ZINC001164857412 720885500 /nfs/dbraw/zinc/88/55/00/720885500.db2.gz JNAJPLJGENMEIV-WOJBJXKFSA-N 1 1 414.575 2.942 20 0 HFADMO COCc1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755947 720886988 /nfs/dbraw/zinc/88/69/88/720886988.db2.gz NQIJYVMVALEGNW-QPPBQGQZSA-N 1 1 423.561 2.773 20 0 HFADMO C[NH+]1CCC(Oc2ccnc(N3Cc4cncn4C[C@H](COCC4CC4)C3)c2)CC1 ZINC001164759282 720981834 /nfs/dbraw/zinc/98/18/34/720981834.db2.gz ZOHCHFNBNLOQMP-LJQANCHMSA-N 1 1 411.550 2.814 20 0 HFADMO Cc1cc(Cl)nc(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164870892 721049137 /nfs/dbraw/zinc/04/91/37/721049137.db2.gz XEBDEMGDDNXALH-HOTGVXAUSA-N 1 1 409.868 2.858 20 0 HFADMO O=C(c1cccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1)N1CCCCC1 ZINC001164869510 721050230 /nfs/dbraw/zinc/05/02/30/721050230.db2.gz TZZALWXPSYPRFP-RTWAWAEBSA-N 1 1 421.545 2.582 20 0 HFADMO Clc1nc2c(c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n1)CSC2 ZINC001164866242 721069913 /nfs/dbraw/zinc/06/99/13/721069913.db2.gz DALFYFWIGOTQKY-GJZGRUSLSA-N 1 1 403.939 2.752 20 0 HFADMO CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164762505 721070593 /nfs/dbraw/zinc/07/05/93/721070593.db2.gz FDHBFXMFBURIBS-DOTOQJQBSA-N 1 1 403.914 2.604 20 0 HFADMO CCOC(=O)c1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164863807 721093849 /nfs/dbraw/zinc/09/38/49/721093849.db2.gz DHRILTNJKYUJMJ-QZTJIDSGSA-N 1 1 416.909 2.786 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc(-c5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164765656 721108706 /nfs/dbraw/zinc/10/87/06/721108706.db2.gz JYNIDVQMRGTITF-ROUUACIJSA-N 1 1 409.925 2.884 20 0 HFADMO CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c1C ZINC001164771348 721126762 /nfs/dbraw/zinc/12/67/62/721126762.db2.gz SGQVHTKMCLSLEA-IRXDYDNUSA-N 1 1 417.941 2.912 20 0 HFADMO COc1cc2c(cc1Cl)ncnc2N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164768982 721137692 /nfs/dbraw/zinc/13/76/92/721137692.db2.gz OOTFLMHHBBHPPL-HZPDHXFCSA-N 1 1 412.925 2.984 20 0 HFADMO COc1cc2ccnc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2cc1OC ZINC001164771808 721143725 /nfs/dbraw/zinc/14/37/25/721143725.db2.gz UFDXBPCRFDGVKM-RTBURBONSA-N 1 1 407.518 2.944 20 0 HFADMO COc1cc2ccnc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2cc1OC ZINC001164771808 721143726 /nfs/dbraw/zinc/14/37/26/721143726.db2.gz UFDXBPCRFDGVKM-RTBURBONSA-N 1 1 407.518 2.944 20 0 HFADMO COc1cccc(Oc2cncc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)n2)c1 ZINC001164765083 721169595 /nfs/dbraw/zinc/16/95/95/721169595.db2.gz HRIWUMAQJDNHTM-OALUTQOASA-N 1 1 420.517 2.969 20 0 HFADMO CSc1nc2ncnc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2s1 ZINC001164765015 721169946 /nfs/dbraw/zinc/16/99/46/721169946.db2.gz HLGFGRDFHACLJZ-KGLIPLIRSA-N 1 1 401.565 2.500 20 0 HFADMO c1cncc(CO[C@@H]2C[C@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CC[N@H+]3C2)c1 ZINC001164877023 721176251 /nfs/dbraw/zinc/17/62/51/721176251.db2.gz NYRYRBCZNHKSTJ-VQTJNVASSA-N 1 1 418.501 2.884 20 0 HFADMO COC(=O)c1cc(Cl)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1C ZINC001164873671 721182732 /nfs/dbraw/zinc/18/27/32/721182732.db2.gz JWRAIRQWAPNGLO-SJORKVTESA-N 1 1 416.909 2.705 20 0 HFADMO COc1cc(OC)c2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164868749 721188641 /nfs/dbraw/zinc/18/86/41/721188641.db2.gz NOWDVFSZWSROHH-PKOBYXMFSA-N 1 1 421.501 2.522 20 0 HFADMO CC1CCN(C(=O)c2ccc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2)CC1 ZINC001164766990 721198041 /nfs/dbraw/zinc/19/80/41/721198041.db2.gz JVEMCBCTVWTSQQ-FCHUYYIVSA-N 1 1 422.577 2.646 20 0 HFADMO CC(C)c1noc(-c2ccnc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2)n1 ZINC001164773825 721223953 /nfs/dbraw/zinc/22/39/53/721223953.db2.gz XFGKEVMIBUPZMX-RTBURBONSA-N 1 1 407.522 2.947 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5[nH]c6cc(F)ccc6c54)C[C@H]3C2)cn1 ZINC001164761521 721245730 /nfs/dbraw/zinc/24/57/30/721245730.db2.gz JHOYFEMBFDCYFP-JKSUJKDBSA-N 1 1 405.481 2.942 20 0 HFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nccc4ccc(Cl)cc43)CC2)C1 ZINC001164869330 721269953 /nfs/dbraw/zinc/26/99/53/721269953.db2.gz KIBWJKZHKDVCAB-UHFFFAOYSA-N 1 1 416.953 2.895 20 0 HFADMO CCOc1ccc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nn1 ZINC001164777797 721335864 /nfs/dbraw/zinc/33/58/64/721335864.db2.gz QRFFATKUEBWYAQ-OAQYLSRUSA-N 1 1 401.511 2.599 20 0 HFADMO CCOc1ccc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nn1 ZINC001164777797 721335870 /nfs/dbraw/zinc/33/58/70/721335870.db2.gz QRFFATKUEBWYAQ-OAQYLSRUSA-N 1 1 401.511 2.599 20 0 HFADMO C[N@@H+](Cc1ccc(N2C[C@@H]3OCCN(C(=O)c4ccccc4)C[C@@H]3C2)nc1)C1CC1 ZINC001164890177 721351940 /nfs/dbraw/zinc/35/19/40/721351940.db2.gz ZZAOOJBWKMZRAG-IRLDBZIGSA-N 1 1 406.530 2.653 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc4cccnc4n3)C2)C1 ZINC001164779302 721352534 /nfs/dbraw/zinc/35/25/34/721352534.db2.gz SCDMBJBANKEYND-JOCHJYFZSA-N 1 1 408.506 2.749 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc4cccnc4n3)C2)C1 ZINC001164779302 721352537 /nfs/dbraw/zinc/35/25/37/721352537.db2.gz SCDMBJBANKEYND-JOCHJYFZSA-N 1 1 408.506 2.749 20 0 HFADMO CCOc1cc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)ncn1 ZINC001164784284 721366794 /nfs/dbraw/zinc/36/67/94/721366794.db2.gz RFZAXWXFKBVJRJ-NRFANRHFSA-N 1 1 401.511 2.599 20 0 HFADMO CCOc1cc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)ncn1 ZINC001164784284 721366795 /nfs/dbraw/zinc/36/67/95/721366795.db2.gz RFZAXWXFKBVJRJ-NRFANRHFSA-N 1 1 401.511 2.599 20 0 HFADMO COCc1ccc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164784202 721367975 /nfs/dbraw/zinc/36/79/75/721367975.db2.gz QXIIKHZVZUUUCL-JOCHJYFZSA-N 1 1 400.523 2.952 20 0 HFADMO Cc1csc2ncnc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c12 ZINC001164886272 721380967 /nfs/dbraw/zinc/38/09/67/721380967.db2.gz DVOIBPGTONCCBM-UTKZUKDTSA-N 1 1 401.580 2.765 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4CCCC5)C3)O2)CC1 ZINC001164894527 721393405 /nfs/dbraw/zinc/39/34/05/721393405.db2.gz YUSGRXPVDWJKCA-JTSKRJEESA-N 1 1 420.001 2.774 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN([C@H](F)Oc4ccnc(Cl)c4)C3)O2)CC1 ZINC001164886305 721398001 /nfs/dbraw/zinc/39/80/01/721398001.db2.gz DZKCLVAJQNWCGL-YSIASYRMSA-N 1 1 412.937 2.628 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4CSC5)C3)O2)CC1 ZINC001164886340 721399251 /nfs/dbraw/zinc/39/92/51/721399251.db2.gz FGTQHXVPARTDOM-YWZLYKJASA-N 1 1 424.014 2.642 20 0 HFADMO CCOC(=O)c1ccc2ncnc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164790349 721410479 /nfs/dbraw/zinc/41/04/79/721410479.db2.gz XDVSEUFMSMMSID-HZPDHXFCSA-N 1 1 409.515 2.831 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nnc(Cl)c5ccoc54)C3)O2)CC1 ZINC001164890517 721423215 /nfs/dbraw/zinc/42/32/15/721423215.db2.gz SYZGYTBWPBXIQJ-FOIQADDNSA-N 1 1 405.930 2.642 20 0 HFADMO C=Cc1nc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1OC ZINC001164897736 721431064 /nfs/dbraw/zinc/43/10/64/721431064.db2.gz UPNCNGZYRQYHPK-IIBYNOLFSA-N 1 1 421.973 2.547 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccncc5)cn4)C3)O2)CC1 ZINC001164893664 721431456 /nfs/dbraw/zinc/43/14/56/721431456.db2.gz JWPHVIMOPXHNDS-ISKFKSNPSA-N 1 1 407.562 2.909 20 0 HFADMO c1csc(C[NH+]2C[C@@H]3CN(c4ncnc5c4ncn5-c4ccccc4)C[C@H]3C2)n1 ZINC001164783342 721434095 /nfs/dbraw/zinc/43/40/95/721434095.db2.gz IJCVBELVKNDFLI-HZPDHXFCSA-N 1 1 403.515 2.840 20 0 HFADMO NC(=S)c1cnc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c2sccc21 ZINC001164788117 721439155 /nfs/dbraw/zinc/43/91/55/721439155.db2.gz YZTGFGXBRQDUPE-VXGBXAGGSA-N 1 1 401.586 2.955 20 0 HFADMO Cc1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(-c2ccco2)n1 ZINC001164895809 721440617 /nfs/dbraw/zinc/44/06/17/721440617.db2.gz PXOMHAVFJQMFIA-CVDCTZTESA-N 1 1 411.550 2.810 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)ncc1OC)CC2 ZINC001164789451 721450835 /nfs/dbraw/zinc/45/08/35/721450835.db2.gz WISQFDPWEJXFDV-QGZVFWFLSA-N 1 1 424.973 2.873 20 0 HFADMO CCc1nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c(Cl)nc1C ZINC001164886561 721451828 /nfs/dbraw/zinc/45/18/28/721451828.db2.gz HHGYERHFAZIJAC-UTKZUKDTSA-N 1 1 407.990 2.766 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(OC)nc(C)n1)CC2 ZINC001164784715 721458873 /nfs/dbraw/zinc/45/88/73/721458873.db2.gz JVJHCZKCLBRQDS-IBGZPJMESA-N 1 1 404.555 2.528 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c(Cl)nncc1OC)CC2 ZINC001164788686 721459511 /nfs/dbraw/zinc/45/95/11/721459511.db2.gz VNLGRNUHPJKLET-QGZVFWFLSA-N 1 1 424.973 2.873 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cncc(OC(C)C)n1)CC2 ZINC001164791331 721467849 /nfs/dbraw/zinc/46/78/49/721467849.db2.gz XCIOLSFBAZKGSU-HXUWFJFHSA-N 1 1 418.582 2.998 20 0 HFADMO CCOC[C@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)Cc2cnn(C)c21 ZINC001164793061 721476657 /nfs/dbraw/zinc/47/66/57/721476657.db2.gz RGEMEAUQCULJPQ-HXUWFJFHSA-N 1 1 418.545 2.909 20 0 HFADMO CCOC[C@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)Cc2cnn(C)c21 ZINC001164793061 721476659 /nfs/dbraw/zinc/47/66/59/721476659.db2.gz RGEMEAUQCULJPQ-HXUWFJFHSA-N 1 1 418.545 2.909 20 0 HFADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)ncc1C(N)=O)CC2 ZINC001164793411 721492604 /nfs/dbraw/zinc/49/26/04/721492604.db2.gz RWKQJIPLAWEQJH-UHFFFAOYSA-N 1 1 400.914 2.505 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)ncn2)[C@H]2CCCO[C@@H]12 ZINC001164795154 721524089 /nfs/dbraw/zinc/52/40/89/721524089.db2.gz KOMGWIYASUMQDY-HDMKZQKVSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)ncn2)[C@H]2CCCO[C@@H]12 ZINC001164795154 721524092 /nfs/dbraw/zinc/52/40/92/721524092.db2.gz KOMGWIYASUMQDY-HDMKZQKVSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(N3CCCCC3)nn2)[C@@H]2CCCO[C@H]12 ZINC001164794542 721525349 /nfs/dbraw/zinc/52/53/49/721525349.db2.gz FSKWUIHZDUJNAA-VIZSFHNOSA-N 1 1 408.550 2.730 20 0 HFADMO CCOC(=O)/C=C/c1cccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164810697 721529686 /nfs/dbraw/zinc/52/96/86/721529686.db2.gz YBIXTFJXIDMEJS-DYWLUUPVSA-N 1 1 422.529 2.921 20 0 HFADMO COC(=O)c1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ncc1Cl ZINC001164803826 721530983 /nfs/dbraw/zinc/53/09/83/721530983.db2.gz JJNITTYNCMEZCJ-BJLQDIEVSA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1cc2ccncc2nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908154 721538584 /nfs/dbraw/zinc/53/85/84/721538584.db2.gz PDABEDQOTVMRKF-MJGOQNOKSA-N 1 1 422.460 2.897 20 0 HFADMO O=C(c1ccnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1)N1CCCC1 ZINC001164907336 721544845 /nfs/dbraw/zinc/54/48/45/721544845.db2.gz MYPFDAVEZILAHJ-PZJWPPBQSA-N 1 1 410.493 2.799 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)NC(C)(C)C)cn2)[C@@H]2CCCO[C@H]12 ZINC001164807908 721554685 /nfs/dbraw/zinc/55/46/85/721554685.db2.gz UAXKBUWLRFDRMY-SJBKTWHCSA-N 1 1 423.561 2.873 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(-c3cccnc3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164806240 721561768 /nfs/dbraw/zinc/56/17/68/721561768.db2.gz PKTIYDBKSBBVNX-KCZVDYSFSA-N 1 1 402.502 2.802 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(-c3cccnc3)n2)[C@H]2CCCO[C@@H]12 ZINC001164806247 721561793 /nfs/dbraw/zinc/56/17/93/721561793.db2.gz PKTIYDBKSBBVNX-TUNNFDKTSA-N 1 1 402.502 2.802 20 0 HFADMO CCOC(=O)c1c(C)ccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164809854 721568843 /nfs/dbraw/zinc/56/88/43/721568843.db2.gz XONQGZANYRFMGF-IRFCIJBXSA-N 1 1 410.518 2.830 20 0 HFADMO CCOC(=O)c1c(C)ccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164809854 721568846 /nfs/dbraw/zinc/56/88/46/721568846.db2.gz XONQGZANYRFMGF-IRFCIJBXSA-N 1 1 410.518 2.830 20 0 HFADMO CN(C)C(=O)[C@H]1CC12CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164911416 721569538 /nfs/dbraw/zinc/56/95/38/721569538.db2.gz ZCJMWTVKCRZQKO-HXUWFJFHSA-N 1 1 405.546 2.730 20 0 HFADMO CN(C)C(=O)[C@H]1CC12CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164911416 721569540 /nfs/dbraw/zinc/56/95/40/721569540.db2.gz ZCJMWTVKCRZQKO-HXUWFJFHSA-N 1 1 405.546 2.730 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccncc3)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164810819 721583586 /nfs/dbraw/zinc/58/35/86/721583586.db2.gz WGXPDZNXEPTJPN-MQSCRBSSSA-N 1 1 402.502 2.802 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccncc3)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164810819 721583589 /nfs/dbraw/zinc/58/35/89/721583589.db2.gz WGXPDZNXEPTJPN-MQSCRBSSSA-N 1 1 402.502 2.802 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccncc3)nn2)[C@H]2CCCO[C@H]12 ZINC001164810824 721583952 /nfs/dbraw/zinc/58/39/52/721583952.db2.gz WGXPDZNXEPTJPN-XJUOHMSHSA-N 1 1 402.502 2.802 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccncc3)nn2)[C@H]2CCCO[C@H]12 ZINC001164810824 721583955 /nfs/dbraw/zinc/58/39/55/721583955.db2.gz WGXPDZNXEPTJPN-XJUOHMSHSA-N 1 1 402.502 2.802 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc[n+]([O-])c(Cl)c2)[C@@H]2CCCO[C@@H]21 ZINC001164809491 721591376 /nfs/dbraw/zinc/59/13/76/721591376.db2.gz SOVYINZANJDOQO-LMMKCTJWSA-N 1 1 424.879 2.782 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc[n+]([O-])c(Cl)c2)[C@@H]2CCCO[C@@H]21 ZINC001164809491 721591379 /nfs/dbraw/zinc/59/13/79/721591379.db2.gz SOVYINZANJDOQO-LMMKCTJWSA-N 1 1 424.879 2.782 20 0 HFADMO CCOC(=O)c1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncn1 ZINC001164904266 721696451 /nfs/dbraw/zinc/69/64/51/721696451.db2.gz FANIROUXSXCVBG-HXUWFJFHSA-N 1 1 417.460 2.786 20 0 HFADMO CN(C)C(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164904186 721699308 /nfs/dbraw/zinc/69/93/08/721699308.db2.gz DQPAQKMKQNYXDA-OAQYLSRUSA-N 1 1 415.488 2.916 20 0 HFADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2nc(Cl)cc(Cl)n2)CC1 ZINC001165007210 721730891 /nfs/dbraw/zinc/73/08/91/721730891.db2.gz ABEAKAQMVVMPIX-UHFFFAOYSA-N 1 1 422.307 2.851 20 0 HFADMO Cc1nc(C(F)(F)N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc(Cl)c1C ZINC001165009277 721740502 /nfs/dbraw/zinc/74/05/02/721740502.db2.gz AXQNVJXOPKLXKU-UHFFFAOYSA-N 1 1 415.916 2.815 20 0 HFADMO COC(=O)Cc1cccc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164907782 721753244 /nfs/dbraw/zinc/75/32/44/721753244.db2.gz ANDOJRXJTVDQLJ-UHFFFAOYSA-N 1 1 406.486 2.980 20 0 HFADMO COC(=O)Cc1cccc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164907782 721753245 /nfs/dbraw/zinc/75/32/45/721753245.db2.gz ANDOJRXJTVDQLJ-UHFFFAOYSA-N 1 1 406.486 2.980 20 0 HFADMO COCc1nc(OC)cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164912244 721765498 /nfs/dbraw/zinc/76/54/98/721765498.db2.gz WCHFGESIEKXJQZ-UHFFFAOYSA-N 1 1 409.490 2.814 20 0 HFADMO COCc1nc(OC)cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164912244 721765503 /nfs/dbraw/zinc/76/55/03/721765503.db2.gz WCHFGESIEKXJQZ-UHFFFAOYSA-N 1 1 409.490 2.814 20 0 HFADMO Cc1nc2sccc2c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912528 721767354 /nfs/dbraw/zinc/76/73/54/721767354.db2.gz YRYMYWLEURCXPX-OAQYLSRUSA-N 1 1 411.531 2.503 20 0 HFADMO Cc1nc2sccc2c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912528 721767361 /nfs/dbraw/zinc/76/73/61/721767361.db2.gz YRYMYWLEURCXPX-OAQYLSRUSA-N 1 1 411.531 2.503 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccnc(-n4ccccc4=O)n3)C[C@H]21 ZINC001165021308 721825800 /nfs/dbraw/zinc/82/58/00/721825800.db2.gz DUGIIXSZOZBWHI-HMXCVIKNSA-N 1 1 416.529 2.759 20 0 HFADMO Cc1nc(CN2CCOC[C@@]3(CN(c4ccc5c([nH+]4)CCCC5)CCO3)C2)cs1 ZINC001164923393 721826752 /nfs/dbraw/zinc/82/67/52/721826752.db2.gz IGWVSQDMNITBRL-QFIPXVFZSA-N 1 1 414.575 2.833 20 0 HFADMO C[NH+]1CCC(Oc2ccnc(N3C[C@@H]4COC[C@@]4(COCc4ccccn4)C3)c2)CC1 ZINC001164923233 721840668 /nfs/dbraw/zinc/84/06/68/721840668.db2.gz UGIUVURHFUYCBA-NTKDMRAZSA-N 1 1 424.545 2.619 20 0 HFADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165040049 721907395 /nfs/dbraw/zinc/90/73/95/721907395.db2.gz WNQPLDSOFCXQOD-OAHLLOKOSA-N 1 1 402.520 2.683 20 0 HFADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC001165038160 721914331 /nfs/dbraw/zinc/91/43/31/721914331.db2.gz KHOYPWOGBPALHH-MRXNPFEDSA-N 1 1 420.554 2.659 20 0 HFADMO COC(=O)c1cc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)ncc1N ZINC001164939753 721924395 /nfs/dbraw/zinc/92/43/95/721924395.db2.gz MONSDQJJKQXSAK-UHFFFAOYSA-N 1 1 410.518 2.630 20 0 HFADMO COCCOc1ccc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nn1 ZINC001164940628 721931300 /nfs/dbraw/zinc/93/13/00/721931300.db2.gz UWTQQJIHXYPBCI-UHFFFAOYSA-N 1 1 412.534 2.682 20 0 HFADMO COC(=O)c1cc(Cl)nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164952785 722012563 /nfs/dbraw/zinc/01/25/63/722012563.db2.gz BNOWHKBRWONTTF-UHFFFAOYSA-N 1 1 401.898 2.804 20 0 HFADMO Clc1nc2nc[nH]c2c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164961961 722052224 /nfs/dbraw/zinc/05/22/24/722052224.db2.gz ZYHALNAUNOGYLZ-UHFFFAOYSA-N 1 1 413.913 2.520 20 0 HFADMO c1cc(C[N@H+]2CCOCC3(CCN(c4nccc(N5CCCCC5)n4)CC3)C2)ccn1 ZINC001164963285 722057556 /nfs/dbraw/zinc/05/75/56/722057556.db2.gz VNNPNDDSWCOMHF-UHFFFAOYSA-N 1 1 422.577 2.981 20 0 HFADMO c1cc(C[N@H+]2CCOCC3(CCN(c4cncc(N5CCCC5)n4)CC3)C2)ccn1 ZINC001164959990 722058162 /nfs/dbraw/zinc/05/81/62/722058162.db2.gz BQEYLHKARLABDT-UHFFFAOYSA-N 1 1 408.550 2.591 20 0 HFADMO Cc1noc(-c2cccnc2N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164959995 722060128 /nfs/dbraw/zinc/06/01/28/722060128.db2.gz CAMBSIUNKLANRU-UHFFFAOYSA-N 1 1 420.517 2.954 20 0 HFADMO Fc1cccc(Cn2ccc3c2ncnc3N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001164967255 722072614 /nfs/dbraw/zinc/07/26/14/722072614.db2.gz LDVQHPQUQFTQFT-BGYRXZFFSA-N 1 1 407.493 2.918 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4ccc(N5CCCCC5)nn4)CC[C@H]3C2)c1 ZINC001164984066 722099695 /nfs/dbraw/zinc/09/96/95/722099695.db2.gz ROUQWTURJZFLBU-SFTDATJTSA-N 1 1 408.550 2.589 20 0 HFADMO COC(=O)c1cc(Cl)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164985889 722102759 /nfs/dbraw/zinc/10/27/59/722102759.db2.gz XLAHKDARRWYHCX-WMZOPIPTSA-N 1 1 416.909 2.644 20 0 HFADMO Clc1nc2ncsc2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983647 722120076 /nfs/dbraw/zinc/12/00/76/722120076.db2.gz YVJMQWOGZVFAHH-CABCVRRESA-N 1 1 416.938 2.862 20 0 HFADMO CCOC(=O)c1c(C)ccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984654 722132342 /nfs/dbraw/zinc/13/23/42/722132342.db2.gz YFWOFKIYGAJMTI-WOJBJXKFSA-N 1 1 410.518 2.689 20 0 HFADMO COC(=O)/C=C\c1cc(C)cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979651 722134537 /nfs/dbraw/zinc/13/45/37/722134537.db2.gz LRGBNHCYEVLNSO-PIDMMKLOSA-N 1 1 422.529 2.699 20 0 HFADMO CSc1cnc(Cl)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982685 722136232 /nfs/dbraw/zinc/13/62/32/722136232.db2.gz SCYYXKXEXODUOE-CVEARBPZSA-N 1 1 405.955 2.974 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4cc(-c5ccncc5)ncn4)CC[C@@H]3C2)c1 ZINC001164978895 722145266 /nfs/dbraw/zinc/14/52/66/722145266.db2.gz KLWYSJOTILGKRO-IRLDBZIGSA-N 1 1 402.502 2.661 20 0 HFADMO Fc1cccc(-c2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164978914 722145683 /nfs/dbraw/zinc/14/56/83/722145683.db2.gz KXLZWMIUPAATDG-CTNGQTDRSA-N 1 1 420.492 2.800 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ccc(-c5ccncc5)nn4)CC[C@@H]3C2)c1 ZINC001164972535 722148239 /nfs/dbraw/zinc/14/82/39/722148239.db2.gz ABIUBDYOBKOPAU-IFMALSPDSA-N 1 1 402.502 2.661 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4cncc(N5CCCCCC5)n4)CC[C@H]3C2)c1 ZINC001164977087 722149651 /nfs/dbraw/zinc/14/96/51/722149651.db2.gz IRLHXPLUGVWHGZ-FCHUYYIVSA-N 1 1 422.577 2.979 20 0 HFADMO CCN(C)c1cc[nH+]c(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)n1 ZINC001164987556 722173800 /nfs/dbraw/zinc/17/38/00/722173800.db2.gz OEYUJMMMRXMVFC-MSOLQXFVSA-N 1 1 402.568 2.567 20 0 HFADMO O=C(c1cccnc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1)N1CCNCC1 ZINC001164994096 722204193 /nfs/dbraw/zinc/20/41/93/722204193.db2.gz FSRIQLSXSYBFTR-XMMPIXPASA-N 1 1 423.536 2.511 20 0 HFADMO O=C(c1cccnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1)N1CCNCC1 ZINC001164994096 722204199 /nfs/dbraw/zinc/20/41/99/722204199.db2.gz FSRIQLSXSYBFTR-XMMPIXPASA-N 1 1 423.536 2.511 20 0 HFADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000792995938 1078044168 /nfs/dbraw/zinc/04/41/68/1078044168.db2.gz CTFKKUPSJNXVBE-YFVAEKQCSA-N 1 1 414.550 2.817 20 0 HFADMO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1Br ZINC000793012524 1078048315 /nfs/dbraw/zinc/04/83/15/1078048315.db2.gz YLAWLCMFEJNEBT-DZGCQCFKSA-N 1 1 421.339 2.566 20 0 HFADMO C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(F)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000793014288 1078048906 /nfs/dbraw/zinc/04/89/06/1078048906.db2.gz MKTXJXQWXPFQOU-SJCJKPOMSA-N 1 1 408.836 2.761 20 0 HFADMO Cc1ccc(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)nc1Br ZINC000793016463 1078049887 /nfs/dbraw/zinc/04/98/87/1078049887.db2.gz TVSYKPNXSSUAPN-CQSZACIVSA-N 1 1 419.323 2.728 20 0 HFADMO C[C@H]1CC[C@H]([N@H+]2C[C@H]3C[C@H]4[C@@](CN(Cc5ccc(Cl)cc5)S4(=O)=O)(C2)O3)C1 ZINC001170139445 1078051681 /nfs/dbraw/zinc/05/16/81/1078051681.db2.gz VAMRXPFWHMENFW-ZQOVORKSSA-N 1 1 410.967 2.886 20 0 HFADMO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000790530735 1078051958 /nfs/dbraw/zinc/05/19/58/1078051958.db2.gz MGIHALSDRWLEHF-UHFFFAOYSA-N 1 1 406.401 2.934 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000790583657 1078061693 /nfs/dbraw/zinc/06/16/93/1078061693.db2.gz OAAFFFSMPQSEME-INIZCTEOSA-N 1 1 406.328 2.880 20 0 HFADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793121257 1078070449 /nfs/dbraw/zinc/07/04/49/1078070449.db2.gz RUOPVYLYYZSZHE-YSGRDPCXSA-N 1 1 421.501 2.536 20 0 HFADMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1nc(Br)ccc1Br ZINC000790607829 1078074098 /nfs/dbraw/zinc/07/40/98/1078074098.db2.gz FYVRJTWPXJPIMT-SNVBAGLBSA-N 1 1 403.118 2.821 20 0 HFADMO CCCOC(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)cc1 ZINC000793109209 1078081704 /nfs/dbraw/zinc/08/17/04/1078081704.db2.gz TYYNJJPMQSSJBU-OAQYLSRUSA-N 1 1 423.513 2.577 20 0 HFADMO CCCOC(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)cc1 ZINC000793109209 1078081708 /nfs/dbraw/zinc/08/17/08/1078081708.db2.gz TYYNJJPMQSSJBU-OAQYLSRUSA-N 1 1 423.513 2.577 20 0 HFADMO C[C@H](NC(=O)N[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1)C1=CC[N@@H+](C)CC1 ZINC000793146816 1078089750 /nfs/dbraw/zinc/08/97/50/1078089750.db2.gz BXYIMPCLEMMZBH-JTSKRJEESA-N 1 1 400.523 2.737 20 0 HFADMO C[C@@H](NC(=O)N[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1)C1=CC[N@@H+](C)CC1 ZINC000793146822 1078090035 /nfs/dbraw/zinc/09/00/35/1078090035.db2.gz BXYIMPCLEMMZBH-VGSWGCGISA-N 1 1 400.523 2.737 20 0 HFADMO Cc1ccc(CNC(=O)N(CCO)Cc2cccnc2Cl)c(N2CCCC2)[nH+]1 ZINC000793150192 1078091068 /nfs/dbraw/zinc/09/10/68/1078091068.db2.gz WZHHMXSNMFKFIX-UHFFFAOYSA-N 1 1 403.914 2.743 20 0 HFADMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)CCN(C)C(=O)OCc2ccccc2)C[C@H](C)O1 ZINC000793183481 1078096102 /nfs/dbraw/zinc/09/61/02/1078096102.db2.gz DVIMNHFJYCLCCI-SVFBPWRDSA-N 1 1 417.550 2.745 20 0 HFADMO O[C@H](c1ncc[nH]1)C1CC[NH+](Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000793191936 1078097215 /nfs/dbraw/zinc/09/72/15/1078097215.db2.gz NBBPPDPGLRQIRI-INIZCTEOSA-N 1 1 408.296 2.889 20 0 HFADMO C[C@@H]1C[N@@H+](CCCNC(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)CCCO1 ZINC000793194111 1078098033 /nfs/dbraw/zinc/09/80/33/1078098033.db2.gz YOTRJFURXWQXRI-GOSISDBHSA-N 1 1 424.586 2.744 20 0 HFADMO COCC1(CNC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000790770396 1078110988 /nfs/dbraw/zinc/11/09/88/1078110988.db2.gz QSTUMVVYLCPWJC-SJORKVTESA-N 1 1 424.586 2.575 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000793267085 1078114363 /nfs/dbraw/zinc/11/43/63/1078114363.db2.gz SIBQKYIMVSYOSB-HUUCEWRRSA-N 1 1 412.328 2.965 20 0 HFADMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1 ZINC000793273369 1078115929 /nfs/dbraw/zinc/11/59/29/1078115929.db2.gz GWYUFEARPOLHLF-WOJBJXKFSA-N 1 1 424.545 2.911 20 0 HFADMO Cc1cc(C)c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1I ZINC000793290819 1078119510 /nfs/dbraw/zinc/11/95/10/1078119510.db2.gz IAFWZSJQCQRUDK-UONOGXRCSA-N 1 1 414.287 2.501 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC000790738954 1078120624 /nfs/dbraw/zinc/12/06/24/1078120624.db2.gz MLLAPAHMQJASSF-QZTJIDSGSA-N 1 1 413.522 2.691 20 0 HFADMO C[C@H](COC(=O)c1ccc2cncn2c1)O[C@@H](C)COC(=O)c1ccc2c[nH+]cn2c1 ZINC000793280940 1078126660 /nfs/dbraw/zinc/12/66/60/1078126660.db2.gz YQAAIQWWOQJHRE-IYBDPMFKSA-N 1 1 422.441 2.789 20 0 HFADMO C[C@H](COC(=O)c1ccc2c[nH+]cn2c1)O[C@@H](C)COC(=O)c1ccc2cncn2c1 ZINC000793280940 1078126668 /nfs/dbraw/zinc/12/66/68/1078126668.db2.gz YQAAIQWWOQJHRE-IYBDPMFKSA-N 1 1 422.441 2.789 20 0 HFADMO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)C1 ZINC000790782561 1078132860 /nfs/dbraw/zinc/13/28/60/1078132860.db2.gz ZSOWRUMOQIBODS-SQNIBIBYSA-N 1 1 414.566 2.953 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000793337591 1078144431 /nfs/dbraw/zinc/14/44/31/1078144431.db2.gz ROXFZHIMJWFQNR-INIZCTEOSA-N 1 1 416.526 2.694 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000793337594 1078144474 /nfs/dbraw/zinc/14/44/74/1078144474.db2.gz ROXFZHIMJWFQNR-MRXNPFEDSA-N 1 1 416.526 2.694 20 0 HFADMO COC(=O)CC[C@@]1(C)NC(=O)N(C[NH+]2CCC(Cc3ccc(C)c(C)c3)CC2)C1=O ZINC000793520141 1078197926 /nfs/dbraw/zinc/19/79/26/1078197926.db2.gz KWVUCUBJHQSXBD-HSZRJFAPSA-N 1 1 415.534 2.779 20 0 HFADMO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)sc1C ZINC001170434010 1078201244 /nfs/dbraw/zinc/20/12/44/1078201244.db2.gz DBJWGWXNFLWBRR-RHSMWYFYSA-N 1 1 403.552 2.717 20 0 HFADMO Cc1nc(NC(=O)[C@@H](C)[N@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)sc1C ZINC001170434010 1078201247 /nfs/dbraw/zinc/20/12/47/1078201247.db2.gz DBJWGWXNFLWBRR-RHSMWYFYSA-N 1 1 403.552 2.717 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000793496373 1078202786 /nfs/dbraw/zinc/20/27/86/1078202786.db2.gz DPRUHOUSDAEWJH-KBPBESRZSA-N 1 1 416.526 2.693 20 0 HFADMO Cc1cccc(NCCNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)[nH+]1 ZINC000793574759 1078212968 /nfs/dbraw/zinc/21/29/68/1078212968.db2.gz FBGAMFQQVDYBLY-KDURUIRLSA-N 1 1 419.485 2.510 20 0 HFADMO C[C@H](NC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C)C1([NH+]2CCOCC2)CCCC1 ZINC000793575977 1078212975 /nfs/dbraw/zinc/21/29/75/1078212975.db2.gz WXNBLPNMOUOMCB-DLBZAZTESA-N 1 1 409.571 2.782 20 0 HFADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC000793593165 1078217961 /nfs/dbraw/zinc/21/79/61/1078217961.db2.gz CUDFIOSCUDZJQR-KRWDZBQOSA-N 1 1 404.511 2.771 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CN2C(=O)N[C@@](C)(C3CCCCC3)C2=O)C1 ZINC000793596778 1078219280 /nfs/dbraw/zinc/21/92/80/1078219280.db2.gz ITAWBGSNGGTOTL-XZOQPEGZSA-N 1 1 413.518 2.651 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CN2C(=O)N[C@@](C)(C3CCCCC3)C2=O)C1 ZINC000793596778 1078219282 /nfs/dbraw/zinc/21/92/82/1078219282.db2.gz ITAWBGSNGGTOTL-XZOQPEGZSA-N 1 1 413.518 2.651 20 0 HFADMO Cc1nn(C)c2nc(Cl)c(CN3CC[N@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)cc12 ZINC000793603360 1078221317 /nfs/dbraw/zinc/22/13/17/1078221317.db2.gz HPANYRVFCFNVPX-OAHLLOKOSA-N 1 1 422.961 2.571 20 0 HFADMO Cc1nn(C)c2nc(Cl)c(CN3CC[N@@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)cc12 ZINC000793603360 1078221319 /nfs/dbraw/zinc/22/13/19/1078221319.db2.gz HPANYRVFCFNVPX-OAHLLOKOSA-N 1 1 422.961 2.571 20 0 HFADMO CN(C)C(=O)COc1ccccc1C[N@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000793603593 1078222242 /nfs/dbraw/zinc/22/22/42/1078222242.db2.gz CEQDRWAVURFOTE-QHCPKHFHSA-N 1 1 417.550 2.987 20 0 HFADMO C[C@H](O)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000793654210 1078226653 /nfs/dbraw/zinc/22/66/53/1078226653.db2.gz SSNKNECWDYPSAN-QSFXBCCZSA-N 1 1 415.559 2.617 20 0 HFADMO Cc1cc(N2CCC(NC(=O)[C@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)nc(C)[nH+]1 ZINC000793620780 1078229849 /nfs/dbraw/zinc/22/98/49/1078229849.db2.gz AMSSDJMMISCPMP-GOSISDBHSA-N 1 1 417.554 2.824 20 0 HFADMO O=C1C(=O)N(c2ccc(Br)cc2)C(=O)N1C[NH+]1CCC(C2CC2)CC1 ZINC000793630924 1078234295 /nfs/dbraw/zinc/23/42/95/1078234295.db2.gz LJUXKYWSSQDGMJ-UHFFFAOYSA-N 1 1 406.280 2.824 20 0 HFADMO C[C@@H](O)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000793650515 1078242004 /nfs/dbraw/zinc/24/20/04/1078242004.db2.gz KZKQAUCYFUFYNO-XMSQKQJNSA-N 1 1 423.557 2.773 20 0 HFADMO CC1(C)CC(=O)N(C[NH+]2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)C1=O ZINC000793670475 1078247418 /nfs/dbraw/zinc/24/74/18/1078247418.db2.gz XUHPDUJDUPMJFK-RTBURBONSA-N 1 1 413.518 2.756 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000793681950 1078252846 /nfs/dbraw/zinc/25/28/46/1078252846.db2.gz NWOXPSNSHPGKRX-UXHICEINSA-N 1 1 409.530 2.693 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000793695268 1078270904 /nfs/dbraw/zinc/27/09/04/1078270904.db2.gz NDZXVAAAEOVURD-SJBKTWHCSA-N 1 1 423.557 2.987 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000793695190 1078271325 /nfs/dbraw/zinc/27/13/25/1078271325.db2.gz MKRMLKCFJQPCNF-OAQYLSRUSA-N 1 1 423.557 2.737 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C(=O)C(C)(C)[C@@H]3[C@@H]3CCCO3)CC[C@@H]21 ZINC000793706051 1078276326 /nfs/dbraw/zinc/27/63/26/1078276326.db2.gz MHLKWFHYOFAGGH-OWSLCNJRSA-N 1 1 407.555 2.691 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C(=O)C(C)(C)[C@@H]3[C@@H]3CCCO3)CC[C@@H]21 ZINC000793706051 1078276330 /nfs/dbraw/zinc/27/63/30/1078276330.db2.gz MHLKWFHYOFAGGH-OWSLCNJRSA-N 1 1 407.555 2.691 20 0 HFADMO C[N@H+]1CCCC12CCN(C(=O)c1cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c1)CC2 ZINC000793762409 1078280534 /nfs/dbraw/zinc/28/05/34/1078280534.db2.gz LJVAYGNDTRXKSE-PMACEKPBSA-N 1 1 422.529 2.665 20 0 HFADMO C[N@H+]1CC[C@]2(CCN(CN3C(=O)C(=O)c4c3ccc(Br)c4Cl)C2)C1 ZINC000793763160 1078281091 /nfs/dbraw/zinc/28/10/91/1078281091.db2.gz DAKJGVKHQFJCLS-KRWDZBQOSA-N 1 1 412.715 2.617 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793767242 1078282812 /nfs/dbraw/zinc/28/28/12/1078282812.db2.gz FHTMOGRGFMZNBC-RBBKRZOGSA-N 1 1 423.557 2.859 20 0 HFADMO CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(C[N@@H+]2CCOC[C@H](C3CCC3)C2)C1=O ZINC000793739893 1078286774 /nfs/dbraw/zinc/28/67/74/1078286774.db2.gz AKAGZFJAPUKPCS-VGSWGCGISA-N 1 1 401.507 2.558 20 0 HFADMO CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(C[N@H+]2CCOC[C@H](C3CCC3)C2)C1=O ZINC000793739893 1078286778 /nfs/dbraw/zinc/28/67/78/1078286778.db2.gz AKAGZFJAPUKPCS-VGSWGCGISA-N 1 1 401.507 2.558 20 0 HFADMO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000793799995 1078302585 /nfs/dbraw/zinc/30/25/85/1078302585.db2.gz AQBHYYHSVXFWSD-OALUTQOASA-N 1 1 417.550 2.515 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000793802820 1078303605 /nfs/dbraw/zinc/30/36/05/1078303605.db2.gz OHVALIZFFWGHKY-HXUWFJFHSA-N 1 1 403.486 2.728 20 0 HFADMO COC(=O)c1ncn(CN2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]2CC(C)C)n1 ZINC000793807157 1078305732 /nfs/dbraw/zinc/30/57/32/1078305732.db2.gz WFESRDYLUYATNC-GOSISDBHSA-N 1 1 405.930 2.908 20 0 HFADMO COC(=O)c1ncn(CN2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]2CC(C)C)n1 ZINC000793807157 1078305738 /nfs/dbraw/zinc/30/57/38/1078305738.db2.gz WFESRDYLUYATNC-GOSISDBHSA-N 1 1 405.930 2.908 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000793806933 1078305818 /nfs/dbraw/zinc/30/58/18/1078305818.db2.gz WARRDCNCEGNTBM-FQEVSTJZSA-N 1 1 421.476 2.907 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000793808783 1078299263 /nfs/dbraw/zinc/29/92/63/1078299263.db2.gz FEACSTUJFTUJEX-FPOVZHCZSA-N 1 1 417.513 2.720 20 0 HFADMO C[N@H+]1CC[C@]2(CCN(CN3C(=O)N[C@@](Cc4ccccc4)(c4ccccc4)C3=O)C2)C1 ZINC000793771019 1078307046 /nfs/dbraw/zinc/30/70/46/1078307046.db2.gz ZVCWELJOFMXTGY-DQEYMECFSA-N 1 1 418.541 2.662 20 0 HFADMO Cc1ccc([C@@H](CNC(=O)C(=O)N[C@@H](C)COc2ccc(C)cc2)[NH+]2CCCC2)o1 ZINC000793774818 1078308253 /nfs/dbraw/zinc/30/82/53/1078308253.db2.gz WFJTYPRJJLPXAG-FXAWDEMLSA-N 1 1 413.518 2.733 20 0 HFADMO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000793845335 1078312705 /nfs/dbraw/zinc/31/27/05/1078312705.db2.gz ZDVSZBJASMGDJS-GOSISDBHSA-N 1 1 414.937 2.722 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC000793809610 1078314054 /nfs/dbraw/zinc/31/40/54/1078314054.db2.gz ZPKZQDZSLGPTSE-FQEVSTJZSA-N 1 1 403.486 2.850 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(CCc1ccc(F)cc1)C1CC1 ZINC000793811617 1078315030 /nfs/dbraw/zinc/31/50/30/1078315030.db2.gz WWWICBQXEISMPK-UHFFFAOYSA-N 1 1 421.476 2.565 20 0 HFADMO Cc1csc([C@](O)(CC(=O)N2CCC(n3c[nH+]cc3C)CC2)C(F)(F)F)n1 ZINC000793847903 1078315606 /nfs/dbraw/zinc/31/56/06/1078315606.db2.gz LPBXOUYCYSLSEB-MRXNPFEDSA-N 1 1 402.442 2.960 20 0 HFADMO C[C@@H](O)C[N@H+]1CCN(C(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)[C@@H](C)C1 ZINC000793872431 1078329419 /nfs/dbraw/zinc/32/94/19/1078329419.db2.gz ABPILVYEKOYGKA-ZWKOTPCHSA-N 1 1 411.587 2.765 20 0 HFADMO Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000793872924 1078330166 /nfs/dbraw/zinc/33/01/66/1078330166.db2.gz DSOKTHZUZSNSIK-DLBZAZTESA-N 1 1 400.475 2.507 20 0 HFADMO Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000793872924 1078330170 /nfs/dbraw/zinc/33/01/70/1078330170.db2.gz DSOKTHZUZSNSIK-DLBZAZTESA-N 1 1 400.475 2.507 20 0 HFADMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000793874047 1078330544 /nfs/dbraw/zinc/33/05/44/1078330544.db2.gz KORMLIOHJPUUIQ-IAGOWNOFSA-N 1 1 417.550 2.901 20 0 HFADMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000793874047 1078330546 /nfs/dbraw/zinc/33/05/46/1078330546.db2.gz KORMLIOHJPUUIQ-IAGOWNOFSA-N 1 1 417.550 2.901 20 0 HFADMO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000793931357 1078341237 /nfs/dbraw/zinc/34/12/37/1078341237.db2.gz MUYIUOSVEQWSMQ-CVDCTZTESA-N 1 1 422.573 2.658 20 0 HFADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(Cl)nc2)C1 ZINC000793931371 1078341245 /nfs/dbraw/zinc/34/12/45/1078341245.db2.gz NIAREJMYPBZDGD-MAUKXSAKSA-N 1 1 400.910 2.645 20 0 HFADMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000793877053 1078332646 /nfs/dbraw/zinc/33/26/46/1078332646.db2.gz SRAKDWRUMKQUDW-SFHVURJKSA-N 1 1 416.610 2.916 20 0 HFADMO COCN1C(=O)CCc2cc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)ccc21 ZINC000793909311 1078335134 /nfs/dbraw/zinc/33/51/34/1078335134.db2.gz AZNBSDRHMNQUTL-LJQANCHMSA-N 1 1 408.502 2.815 20 0 HFADMO COCN1C(=O)CCc2cc(NC(=O)[C@@H](c3ccccc3)[NH+]3CCC(O)CC3)ccc21 ZINC000793910384 1078335507 /nfs/dbraw/zinc/33/55/07/1078335507.db2.gz NGLACJNZYFQIGC-HSZRJFAPSA-N 1 1 423.513 2.706 20 0 HFADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)C1 ZINC000793912646 1078335869 /nfs/dbraw/zinc/33/58/69/1078335869.db2.gz ZXAOPTLSSUQIGG-FGTMMUONSA-N 1 1 421.607 2.789 20 0 HFADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)C1 ZINC000793912648 1078335890 /nfs/dbraw/zinc/33/58/90/1078335890.db2.gz ZXAOPTLSSUQIGG-KZNAEPCWSA-N 1 1 421.607 2.789 20 0 HFADMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000793915540 1078336898 /nfs/dbraw/zinc/33/68/98/1078336898.db2.gz YMQUOVRPMUXKMY-RXVVDRJESA-N 1 1 415.578 2.897 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000793930209 1078340982 /nfs/dbraw/zinc/34/09/82/1078340982.db2.gz JQHLGZKFRANIFO-WIYYLYMNSA-N 1 1 408.546 2.711 20 0 HFADMO Cn1cc[nH+]c1N1CCC(NC(=O)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000793954409 1078346572 /nfs/dbraw/zinc/34/65/72/1078346572.db2.gz ZLPVSPIPAYTUPY-INIZCTEOSA-N 1 1 405.543 2.542 20 0 HFADMO C[C@@H]1C[N@@H+](CCCNC(=O)[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)CCCO1 ZINC000793965867 1078348946 /nfs/dbraw/zinc/34/89/46/1078348946.db2.gz ISKIAEZLQGDNTN-AUSIDOKSSA-N 1 1 417.550 2.652 20 0 HFADMO CC(C)(C)OC(=O)NCCc1nc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cs1 ZINC000793971555 1078349545 /nfs/dbraw/zinc/34/95/45/1078349545.db2.gz UAFTXFCYNLVWPJ-OAHLLOKOSA-N 1 1 408.568 2.957 20 0 HFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000793988314 1078357648 /nfs/dbraw/zinc/35/76/48/1078357648.db2.gz FVWOFJFFAYSJOG-CYBMUJFWSA-N 1 1 404.515 2.598 20 0 HFADMO O=C(NC[C@@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1)OCc1ccccc1 ZINC000794036844 1078363510 /nfs/dbraw/zinc/36/35/10/1078363510.db2.gz GENBTPFOJDHLIZ-NRFANRHFSA-N 1 1 417.550 2.654 20 0 HFADMO O=C(NC[C@@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1)OCc1ccccc1 ZINC000794034177 1078370653 /nfs/dbraw/zinc/37/06/53/1078370653.db2.gz RNNPEMCHKOVGCR-IBGZPJMESA-N 1 1 410.518 2.927 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCc2nnc(CN3CCCCC3)n2CC1 ZINC001170442903 1078372559 /nfs/dbraw/zinc/37/25/59/1078372559.db2.gz MTLYOOXFDSGERV-LJQANCHMSA-N 1 1 411.550 2.872 20 0 HFADMO C[NH+]1CCN([C@H](C(=O)Nc2ccc(F)c(N3CCOC3=O)c2)c2ccccc2)CC1 ZINC000794109089 1078373422 /nfs/dbraw/zinc/37/34/22/1078373422.db2.gz RWVOMNSCCOFXQJ-FQEVSTJZSA-N 1 1 412.465 2.710 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)N2C(C)=O)C1 ZINC001170445606 1078415356 /nfs/dbraw/zinc/41/53/56/1078415356.db2.gz XMBFZEOVIMXTJJ-MLNNCEHLSA-N 1 1 424.545 2.944 20 0 HFADMO Nc1[nH+]c(NC2CCN(CC(F)(F)F)CC2)ccc1I ZINC001170446124 1078422489 /nfs/dbraw/zinc/42/24/89/1078422489.db2.gz RUZWKXICTQIWHC-UHFFFAOYSA-N 1 1 400.186 2.707 20 0 HFADMO C[N@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000794375075 1078430036 /nfs/dbraw/zinc/43/00/36/1078430036.db2.gz HWJRVKKTIDBRJF-PBHICJAKSA-N 1 1 411.930 2.653 20 0 HFADMO C[N@@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000794375075 1078430039 /nfs/dbraw/zinc/43/00/39/1078430039.db2.gz HWJRVKKTIDBRJF-PBHICJAKSA-N 1 1 411.930 2.653 20 0 HFADMO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001129472632 1078474054 /nfs/dbraw/zinc/47/40/54/1078474054.db2.gz SQVHNSRYDGLBFQ-UHFFFAOYSA-N 1 1 404.879 2.515 20 0 HFADMO C[C@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)CCCC[NH+]2CCOCC2)C1 ZINC000804664812 1078474624 /nfs/dbraw/zinc/47/46/24/1078474624.db2.gz PBLNMZWZFBEYKM-PMACEKPBSA-N 1 1 409.571 2.739 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC001170449906 1078487362 /nfs/dbraw/zinc/48/73/62/1078487362.db2.gz PNJKOYCLJKROIJ-AQNXPRMDSA-N 1 1 406.482 2.853 20 0 HFADMO CN(Cc1cc(Br)cs1)C(=O)CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001170451456 1078492672 /nfs/dbraw/zinc/49/26/72/1078492672.db2.gz KDBCNEMGRNENKD-KRWDZBQOSA-N 1 1 400.386 2.887 20 0 HFADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001129505267 1078498959 /nfs/dbraw/zinc/49/89/59/1078498959.db2.gz CNVNNYSBJYGYPF-WBVHZDCISA-N 1 1 401.457 2.954 20 0 HFADMO Cc1ccc(NC(=O)Cc2nc(CN3CCC[C@H]([NH+]4CCOCC4)C3)cs2)cc1 ZINC001170451663 1078501759 /nfs/dbraw/zinc/50/17/59/1078501759.db2.gz MJADPROCEICITK-FQEVSTJZSA-N 1 1 414.575 2.929 20 0 HFADMO O=C(c1cccc(C2OCCO2)c1)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804447946 1078514685 /nfs/dbraw/zinc/51/46/85/1078514685.db2.gz KBNYINAPOAEYMZ-HSZRJFAPSA-N 1 1 421.541 2.764 20 0 HFADMO C[C@H](Oc1ccc(C=O)cc1)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804447547 1078515086 /nfs/dbraw/zinc/51/50/86/1078515086.db2.gz GCUUHMREMDVYSR-NZQKXSOJSA-N 1 1 421.541 2.685 20 0 HFADMO CC[C@H](C)CC[C@@H](O)CC(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804448995 1078515967 /nfs/dbraw/zinc/51/59/67/1078515967.db2.gz SXSSTALXIOCVKV-ACIOBRDBSA-N 1 1 401.595 2.982 20 0 HFADMO C[C@H]1Oc2ccccc2N(CCC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC001129828192 1078522173 /nfs/dbraw/zinc/52/21/73/1078522173.db2.gz GTYBPYRSXHYGIU-RTBURBONSA-N 1 1 407.514 2.924 20 0 HFADMO C[C@H]1Oc2ccccc2N(CCC(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC001129828192 1078522180 /nfs/dbraw/zinc/52/21/80/1078522180.db2.gz GTYBPYRSXHYGIU-RTBURBONSA-N 1 1 407.514 2.924 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCC2(c3ccccn3)CCC2)CC1 ZINC000804696756 1078539025 /nfs/dbraw/zinc/53/90/25/1078539025.db2.gz COKUKVKXMUCQBV-UHFFFAOYSA-N 1 1 402.539 2.562 20 0 HFADMO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC001129571259 1078563849 /nfs/dbraw/zinc/56/38/49/1078563849.db2.gz CKQFHNLCORNPBR-INIZCTEOSA-N 1 1 404.536 2.667 20 0 HFADMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)C1 ZINC000804533647 1078571282 /nfs/dbraw/zinc/57/12/82/1078571282.db2.gz FILQIZZRDWCMQM-UHFFFAOYSA-N 1 1 408.470 2.780 20 0 HFADMO 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1078682920 /nfs/dbraw/zinc/68/29/20/1078682920.db2.gz YJYSUZSGIONOIO-RBUKOAKNSA-N 1 1 411.554 2.653 20 0 HFADMO Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000804868829 1078692385 /nfs/dbraw/zinc/69/23/85/1078692385.db2.gz FMSORQSHCORJBC-XSFVSMFZSA-N 1 1 412.469 2.692 20 0 HFADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000804870242 1078693432 /nfs/dbraw/zinc/69/34/32/1078693432.db2.gz VDYXUJCDIOQFGE-HNNXBMFYSA-N 1 1 405.417 2.723 20 0 HFADMO CCCOc1ccc(CNC(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000804857385 1078727247 /nfs/dbraw/zinc/72/72/47/1078727247.db2.gz CTKWWGCCQNCDIX-DEOSSOPVSA-N 1 1 424.545 2.515 20 0 HFADMO COC(=O)Nc1cccc(CNC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000804946372 1078775689 /nfs/dbraw/zinc/77/56/89/1078775689.db2.gz JZCIAIKCCOJOFR-UHFFFAOYSA-N 1 1 412.490 2.697 20 0 HFADMO CCN1CC[NH+](Cc2ccc(CNS(=O)(=O)c3ccc(Cl)nc3C)cc2)CC1 ZINC000804950596 1078778505 /nfs/dbraw/zinc/77/85/05/1078778505.db2.gz GEZAAZUUSDHSKZ-UHFFFAOYSA-N 1 1 422.982 2.659 20 0 HFADMO CC[NH+]1CCN(CCCCNC(=O)N2CCC([C@@H](O)c3ccccc3C)CC2)CC1 ZINC000804955358 1078796979 /nfs/dbraw/zinc/79/69/79/1078796979.db2.gz MSNGQUDLVWJDDV-HSZRJFAPSA-N 1 1 416.610 2.868 20 0 HFADMO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000804975818 1078810743 /nfs/dbraw/zinc/81/07/43/1078810743.db2.gz BAEBUUGOBAEUEI-QWQRMKEZSA-N 1 1 407.477 2.880 20 0 HFADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)C1 ZINC000804975310 1078811079 /nfs/dbraw/zinc/81/10/79/1078811079.db2.gz JQXBGXVIJUGHFW-UGUYLWEFSA-N 1 1 420.520 2.984 20 0 HFADMO O=C(NCCn1cc(Br)cn1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000805013767 1078824393 /nfs/dbraw/zinc/82/43/93/1078824393.db2.gz GAYJEYINJSHNSI-QGZVFWFLSA-N 1 1 420.355 2.857 20 0 HFADMO COCC[N@@H+](C)CCCC1CCN(S(=O)(=O)c2ccc(Cl)nc2C)CC1 ZINC000805051377 1078865193 /nfs/dbraw/zinc/86/51/93/1078865193.db2.gz KPORJRJZVQQEDG-UHFFFAOYSA-N 1 1 403.976 2.803 20 0 HFADMO CC[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccccc1OC ZINC000805098789 1078886071 /nfs/dbraw/zinc/88/60/71/1078886071.db2.gz MOPQTEMBBPYQRZ-RGPMPMONSA-N 1 1 402.539 2.529 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)ccc1Cl ZINC000805120409 1078904090 /nfs/dbraw/zinc/90/40/90/1078904090.db2.gz RZTNYINBKBYYDV-KRWDZBQOSA-N 1 1 414.886 2.847 20 0 HFADMO Cc1ccccc1[C@H](O)C1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000805139351 1078936550 /nfs/dbraw/zinc/93/65/50/1078936550.db2.gz REGHGKLGRLFQLE-NFBKMPQASA-N 1 1 414.594 2.619 20 0 HFADMO Cc1ccccc1[C@H](O)C1CCN(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000805139351 1078936552 /nfs/dbraw/zinc/93/65/52/1078936552.db2.gz REGHGKLGRLFQLE-NFBKMPQASA-N 1 1 414.594 2.619 20 0 HFADMO CC(C)Oc1ccc([C@@H](CNS(=O)(=O)c2cnn(CC3CC3)c2)[NH+](C)C)cc1 ZINC000805134708 1078931456 /nfs/dbraw/zinc/93/14/56/1078931456.db2.gz GUFCOMFOPKYBLV-HXUWFJFHSA-N 1 1 406.552 2.662 20 0 HFADMO CC(C)Oc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)C(=O)OC3)[NH+](C)C)cc1 ZINC000805134798 1078931489 /nfs/dbraw/zinc/93/14/89/1078931489.db2.gz JOVVDQFFUFWVLR-HXUWFJFHSA-N 1 1 418.515 2.725 20 0 HFADMO O=C(COc1ccc(C2SCCCS2)cc1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000747230935 1078945579 /nfs/dbraw/zinc/94/55/79/1078945579.db2.gz DBQUIUUHDRWMIG-WMZOPIPTSA-N 1 1 408.589 2.914 20 0 HFADMO O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000747232020 1078949981 /nfs/dbraw/zinc/94/99/81/1078949981.db2.gz PTXRFFLQUYTDRD-FKBYEOEOSA-N 1 1 407.514 2.527 20 0 HFADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805199269 1078952682 /nfs/dbraw/zinc/95/26/82/1078952682.db2.gz QEWXWWUQJYRPRX-CDMIOBSGSA-N 1 1 406.571 2.902 20 0 HFADMO COC(=O)N1CCC(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000805176746 1078962124 /nfs/dbraw/zinc/96/21/24/1078962124.db2.gz NQIJCEXIWYRWOD-XLIONFOSSA-N 1 1 402.539 2.817 20 0 HFADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCC([C@@H](O)c3ccccc3C)CC2)CC1 ZINC000805180533 1078964899 /nfs/dbraw/zinc/96/48/99/1078964899.db2.gz KUIRLNKUINSJTO-WMZHIEFXSA-N 1 1 416.610 2.724 20 0 HFADMO C[C@@]1(CNC(=O)C(=O)NCCc2ccc(Cl)nc2)CCC[N@H+]1Cc1ccccc1 ZINC000805197970 1078971027 /nfs/dbraw/zinc/97/10/27/1078971027.db2.gz JYHPRIVTYGJXPJ-QFIPXVFZSA-N 1 1 414.937 2.565 20 0 HFADMO COC(=O)/C=C\c1ccc(S(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000747238018 1078996360 /nfs/dbraw/zinc/99/63/60/1078996360.db2.gz BYFYVQMKRZZFDG-XFXZXTDPSA-N 1 1 414.527 2.600 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000805282436 1079008647 /nfs/dbraw/zinc/00/86/47/1079008647.db2.gz NZMSAUBQUSQKJT-PMACEKPBSA-N 1 1 402.539 2.763 20 0 HFADMO COC(=O)N1CCC(CNC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000805274954 1079004649 /nfs/dbraw/zinc/00/46/49/1079004649.db2.gz XMXTYDWIQCKRJB-PXNSSMCTSA-N 1 1 402.539 2.675 20 0 HFADMO C[C@H](C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001130138899 1079007695 /nfs/dbraw/zinc/00/76/95/1079007695.db2.gz INRNPDVNJIBWBW-RDBSUJKOSA-N 1 1 418.563 2.802 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000747238918 1079021718 /nfs/dbraw/zinc/02/17/18/1079021718.db2.gz VMNCCNCTNRYLAV-JLHYYAGUSA-N 1 1 414.527 2.769 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000747238918 1079021723 /nfs/dbraw/zinc/02/17/23/1079021723.db2.gz VMNCCNCTNRYLAV-JLHYYAGUSA-N 1 1 414.527 2.769 20 0 HFADMO COC[C@]1(CNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CCCN1C(=O)OC(C)(C)C ZINC000805365826 1079048964 /nfs/dbraw/zinc/04/89/64/1079048964.db2.gz YRVGDLPVIJJARB-XMSQKQJNSA-N 1 1 424.586 2.719 20 0 HFADMO O=S(=O)(/C=C\c1ccc(F)cc1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000747242235 1079066532 /nfs/dbraw/zinc/06/65/32/1079066532.db2.gz HAHLLNUJUUJKSC-WQRHYEAKSA-N 1 1 403.523 2.928 20 0 HFADMO COc1ccccc1CONC(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000805444870 1079068596 /nfs/dbraw/zinc/06/85/96/1079068596.db2.gz VJCNAIVMNWEUQC-JOCHJYFZSA-N 1 1 424.545 2.729 20 0 HFADMO CN1C(=O)N[C@](C)(c2ccc(NC(=O)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)C1=O ZINC001130225585 1079108703 /nfs/dbraw/zinc/10/87/03/1079108703.db2.gz BMCHQWGRULJLCA-GAJHUEQPSA-N 1 1 406.486 2.544 20 0 HFADMO O=C(CC1([NH+]2CCOCC2)CCCC1)OCC(=O)c1ccc(C(F)(F)F)cn1 ZINC000805541676 1079131530 /nfs/dbraw/zinc/13/15/30/1079131530.db2.gz PVABMXVTWHRRLG-UHFFFAOYSA-N 1 1 400.397 2.861 20 0 HFADMO COC(=O)C(C)(C)C(=O)[C@H](C)OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000805572046 1079143571 /nfs/dbraw/zinc/14/35/71/1079143571.db2.gz VXTYITFWNCWZAD-HOCLYGCPSA-N 1 1 411.445 2.844 20 0 HFADMO COC(=O)C(C)(C)C(=O)[C@H](C)OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000805572046 1079143582 /nfs/dbraw/zinc/14/35/82/1079143582.db2.gz VXTYITFWNCWZAD-HOCLYGCPSA-N 1 1 411.445 2.844 20 0 HFADMO C[C@@H](CNC(=O)c1ccccc1I)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130256255 1079145063 /nfs/dbraw/zinc/14/50/63/1079145063.db2.gz GKUBQXIDYOOGDG-RWMBFGLXSA-N 1 1 402.276 2.519 20 0 HFADMO C[C@@H](CNC(=O)c1ccccc1I)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130256255 1079145068 /nfs/dbraw/zinc/14/50/68/1079145068.db2.gz GKUBQXIDYOOGDG-RWMBFGLXSA-N 1 1 402.276 2.519 20 0 HFADMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(/C=C/C(=O)OC)cc1)c1ccco1 ZINC000747253782 1079151893 /nfs/dbraw/zinc/15/18/93/1079151893.db2.gz NJQICKSHPRTMIZ-LVMGUKCRSA-N 1 1 406.504 2.827 20 0 HFADMO COC(=O)/C=C\c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000747254177 1079168181 /nfs/dbraw/zinc/16/81/81/1079168181.db2.gz NWCRYJISRHJCRZ-ZRELGDGPSA-N 1 1 414.527 2.987 20 0 HFADMO COc1ccc(OC)c([C@H]2CCCN2C(=O)COC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC000805614130 1079175616 /nfs/dbraw/zinc/17/56/16/1079175616.db2.gz AXJREFDSIYABIV-GOSISDBHSA-N 1 1 404.507 2.785 20 0 HFADMO COc1ccc(OC)c([C@@H]2CCCN2C(=O)COC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC000805614131 1079175679 /nfs/dbraw/zinc/17/56/79/1079175679.db2.gz AXJREFDSIYABIV-SFHVURJKSA-N 1 1 404.507 2.785 20 0 HFADMO CCOC(=O)c1sc2nc(COC(=O)C(C)(C)[NH+]3CCCC3)nc(N)c2c1C ZINC000805615888 1079176147 /nfs/dbraw/zinc/17/61/47/1079176147.db2.gz KOKFXBADVNGHFK-UHFFFAOYSA-N 1 1 406.508 2.676 20 0 HFADMO C[C@H]1CN(c2ccc(NC(=O)C[N@@H+]3CC[C@@H](Oc4ccncc4)C3)cc2)C[C@H](C)O1 ZINC000805753402 1079231591 /nfs/dbraw/zinc/23/15/91/1079231591.db2.gz BSSYVMJCQXINTQ-NPPFBWRTSA-N 1 1 410.518 2.787 20 0 HFADMO C[C@H]1CN(c2ccc(NC(=O)C[N@H+]3CC[C@@H](Oc4ccncc4)C3)cc2)C[C@H](C)O1 ZINC000805753402 1079231601 /nfs/dbraw/zinc/23/16/01/1079231601.db2.gz BSSYVMJCQXINTQ-NPPFBWRTSA-N 1 1 410.518 2.787 20 0 HFADMO CCC[N@H+](C)[C@H](CNC(=O)N(CC)CCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000805753946 1079232057 /nfs/dbraw/zinc/23/20/57/1079232057.db2.gz UNZVISOCMFMSDY-QGZVFWFLSA-N 1 1 403.976 2.799 20 0 HFADMO CCC[N@@H+](C)[C@H](CNC(=O)N(CC)CCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000805753946 1079232065 /nfs/dbraw/zinc/23/20/65/1079232065.db2.gz UNZVISOCMFMSDY-QGZVFWFLSA-N 1 1 403.976 2.799 20 0 HFADMO C[C@H]1CC[N@H+](CCC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805788635 1079255113 /nfs/dbraw/zinc/25/51/13/1079255113.db2.gz QWDSLWQALBQDLQ-PRXAMGSTSA-N 1 1 415.412 2.521 20 0 HFADMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805788635 1079255115 /nfs/dbraw/zinc/25/51/15/1079255115.db2.gz QWDSLWQALBQDLQ-PRXAMGSTSA-N 1 1 415.412 2.521 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(OCC(N)=O)cc1)C2 ZINC000805794610 1079258831 /nfs/dbraw/zinc/25/88/31/1079258831.db2.gz XONAMYJYUOUAEV-JOCHJYFZSA-N 1 1 403.523 2.774 20 0 HFADMO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000805762728 1079263711 /nfs/dbraw/zinc/26/37/11/1079263711.db2.gz SQPJPHBUHYBKFB-JKSUJKDBSA-N 1 1 411.493 2.955 20 0 HFADMO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000805762728 1079263718 /nfs/dbraw/zinc/26/37/18/1079263718.db2.gz SQPJPHBUHYBKFB-JKSUJKDBSA-N 1 1 411.493 2.955 20 0 HFADMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC001130368841 1079266480 /nfs/dbraw/zinc/26/64/80/1079266480.db2.gz BJFUWNQLUJMYOF-KZNAEPCWSA-N 1 1 407.580 2.804 20 0 HFADMO CC[C@@H]1CC([N@H+]2C[C@H]3CN(CCOC)C(=O)[C@H]3C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170488391 1079266495 /nfs/dbraw/zinc/26/64/95/1079266495.db2.gz GHKGMZPOLUQVLG-MLYOOKFZSA-N 1 1 423.598 2.980 20 0 HFADMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000805803756 1079280815 /nfs/dbraw/zinc/28/08/15/1079280815.db2.gz ZSXGXWXQPIBOBX-BBRMVZONSA-N 1 1 413.465 2.892 20 0 HFADMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000805803756 1079280822 /nfs/dbraw/zinc/28/08/22/1079280822.db2.gz ZSXGXWXQPIBOBX-BBRMVZONSA-N 1 1 413.465 2.892 20 0 HFADMO Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C)CC2)c1 ZINC000805802089 1079280981 /nfs/dbraw/zinc/28/09/81/1079280981.db2.gz SNNRGACIEXLVEA-ICSRJNTNSA-N 1 1 416.566 2.631 20 0 HFADMO Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C)CC2)c1 ZINC000805802089 1079280985 /nfs/dbraw/zinc/28/09/85/1079280985.db2.gz SNNRGACIEXLVEA-ICSRJNTNSA-N 1 1 416.566 2.631 20 0 HFADMO O=C(NC1CCCCC1)OC[C@H]1CCCC[N@@H+]1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000805826670 1079295706 /nfs/dbraw/zinc/29/57/06/1079295706.db2.gz GOUQPYIJFPRLOW-WOJBJXKFSA-N 1 1 407.555 2.680 20 0 HFADMO O=C(NC1CCCCC1)OC[C@H]1CCCC[N@H+]1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000805826670 1079295709 /nfs/dbraw/zinc/29/57/09/1079295709.db2.gz GOUQPYIJFPRLOW-WOJBJXKFSA-N 1 1 407.555 2.680 20 0 HFADMO O=C(NC1CCCCC1)OC[C@@H]1CCCC[N@@H+]1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000805826669 1079295727 /nfs/dbraw/zinc/29/57/27/1079295727.db2.gz GOUQPYIJFPRLOW-VQTJNVASSA-N 1 1 407.555 2.680 20 0 HFADMO O=C(NC1CCCCC1)OC[C@@H]1CCCC[N@H+]1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000805826669 1079295730 /nfs/dbraw/zinc/29/57/30/1079295730.db2.gz GOUQPYIJFPRLOW-VQTJNVASSA-N 1 1 407.555 2.680 20 0 HFADMO COCc1nc2sc(C(=O)OC[C@@H]3C[N@@H+](CC(C)C)CCO3)c(C)c2c(OC)n1 ZINC000805820087 1079292608 /nfs/dbraw/zinc/29/26/08/1079292608.db2.gz DOPLYXYSKLEDOA-AWEZNQCLSA-N 1 1 423.535 2.668 20 0 HFADMO CC(C)c1nc2ncnc(-n3ccc(=NC(=O)C4CCC([C@@H](C)[NH3+])CC4)cc3)c2[nH]1 ZINC001170491036 1079303571 /nfs/dbraw/zinc/30/35/71/1079303571.db2.gz ZPKZVEICLFFXGH-QQFBHYJXSA-N 1 1 407.522 2.848 20 0 HFADMO C[C@H](CNC(=O)c1cccnc1)OC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000805896665 1079325095 /nfs/dbraw/zinc/32/50/95/1079325095.db2.gz BWKGJGLIBDYNTE-SQNIBIBYSA-N 1 1 411.502 2.666 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)OCCCc3nc4ncccn4n3)cc2)C[C@H](C)O1 ZINC000805897326 1079325556 /nfs/dbraw/zinc/32/55/56/1079325556.db2.gz PSTZLPWYJMZLJT-CALCHBBNSA-N 1 1 409.490 2.523 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)OCCCc3nc4ncccn4n3)cc2)C[C@H](C)O1 ZINC000805897326 1079325559 /nfs/dbraw/zinc/32/55/59/1079325559.db2.gz PSTZLPWYJMZLJT-CALCHBBNSA-N 1 1 409.490 2.523 20 0 HFADMO CC[C@H](C(=O)OC[C@H]1C[N@@H+](CC(C)C)CCO1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000805915610 1079330752 /nfs/dbraw/zinc/33/07/52/1079330752.db2.gz IQMQRPGUSKLSIJ-QZTJIDSGSA-N 1 1 421.929 2.845 20 0 HFADMO C[C@@H](CNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000805941895 1079344230 /nfs/dbraw/zinc/34/42/30/1079344230.db2.gz CFGJAUNFBAORJY-CVDCTZTESA-N 1 1 423.557 2.907 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000747281526 1079353061 /nfs/dbraw/zinc/35/30/61/1079353061.db2.gz KRCOMQOPCOOTJU-KRWDZBQOSA-N 1 1 420.506 2.755 20 0 HFADMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cn1c2ccccc2n(C)c1=O ZINC001130455002 1079379017 /nfs/dbraw/zinc/37/90/17/1079379017.db2.gz RYHXUFJTEIWLKB-GBESFXJTSA-N 1 1 406.530 2.850 20 0 HFADMO CCNC(=O)Oc1cccc(OC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC001130489317 1079413067 /nfs/dbraw/zinc/41/30/67/1079413067.db2.gz CLVQBIVUANMDNK-VQTJNVASSA-N 1 1 414.506 2.948 20 0 HFADMO C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000747302477 1079419527 /nfs/dbraw/zinc/41/95/27/1079419527.db2.gz PBDIKKJRLUHLRT-SFHVURJKSA-N 1 1 411.502 2.815 20 0 HFADMO CN1CC[NH+](CCCOc2ccc(NC(=O)c3cccc4nccnc43)cc2)CC1 ZINC001130542231 1079462780 /nfs/dbraw/zinc/46/27/80/1079462780.db2.gz RFZDBCZEJCFWGN-UHFFFAOYSA-N 1 1 405.502 2.898 20 0 HFADMO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000787332483 1076744809 /nfs/dbraw/zinc/74/48/09/1076744809.db2.gz LNDJXQIMLBDQKC-LMMKCTJWSA-N 1 1 424.586 2.527 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)[nH]n2)C1 ZINC000787333764 1076745600 /nfs/dbraw/zinc/74/56/00/1076745600.db2.gz BEGAIKSKRNBEEU-SJORKVTESA-N 1 1 417.554 2.835 20 0 HFADMO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000787300969 1076748824 /nfs/dbraw/zinc/74/88/24/1076748824.db2.gz ZYODKCHGPKNUDT-HMFYCAOWSA-N 1 1 416.587 2.870 20 0 HFADMO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000787300969 1076748830 /nfs/dbraw/zinc/74/88/30/1076748830.db2.gz ZYODKCHGPKNUDT-HMFYCAOWSA-N 1 1 416.587 2.870 20 0 HFADMO COC(=O)CC[N@H+](CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C1CCOCC1 ZINC000746676054 1076749649 /nfs/dbraw/zinc/74/96/49/1076749649.db2.gz ZASSRSMMSVIJDV-UHFFFAOYSA-N 1 1 411.564 2.802 20 0 HFADMO COC(=O)CC[N@@H+](CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C1CCOCC1 ZINC000746676054 1076749654 /nfs/dbraw/zinc/74/96/54/1076749654.db2.gz ZASSRSMMSVIJDV-UHFFFAOYSA-N 1 1 411.564 2.802 20 0 HFADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787322286 1076766325 /nfs/dbraw/zinc/76/63/25/1076766325.db2.gz CZESIGJXWQVRAU-RCCFBDPRSA-N 1 1 424.586 2.717 20 0 HFADMO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)CCc1ccc(S(N)(=O)=O)cc1 ZINC000787340174 1076785323 /nfs/dbraw/zinc/78/53/23/1076785323.db2.gz BPIINYCRCAJFAK-UHFFFAOYSA-N 1 1 402.438 2.906 20 0 HFADMO C[C@H](C(=O)Nc1sccc1C(N)=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000746677671 1076792101 /nfs/dbraw/zinc/79/21/01/1076792101.db2.gz SDGIANYKBAKLEH-JKSUJKDBSA-N 1 1 400.548 2.770 20 0 HFADMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC[N@H+]1C ZINC000787388318 1076805144 /nfs/dbraw/zinc/80/51/44/1076805144.db2.gz UKUHXUIFBXKFML-OAGGEKHMSA-N 1 1 405.543 2.689 20 0 HFADMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC[N@@H+]1C ZINC000787388318 1076805149 /nfs/dbraw/zinc/80/51/49/1076805149.db2.gz UKUHXUIFBXKFML-OAGGEKHMSA-N 1 1 405.543 2.689 20 0 HFADMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC[N@H+]1C ZINC000787388318 1076805153 /nfs/dbraw/zinc/80/51/53/1076805153.db2.gz UKUHXUIFBXKFML-OAGGEKHMSA-N 1 1 405.543 2.689 20 0 HFADMO O=C(c1cnn(-c2cc[nH+]cc2)c1C(F)F)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000787443369 1076813269 /nfs/dbraw/zinc/81/32/69/1076813269.db2.gz YIHBIZHZVILFCQ-GOEBONIOSA-N 1 1 418.400 2.763 20 0 HFADMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787448193 1076814859 /nfs/dbraw/zinc/81/48/59/1076814859.db2.gz BQFOBAQHKRBWEL-FRQCXROJSA-N 1 1 417.554 2.690 20 0 HFADMO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787448193 1076814864 /nfs/dbraw/zinc/81/48/64/1076814864.db2.gz BQFOBAQHKRBWEL-FRQCXROJSA-N 1 1 417.554 2.690 20 0 HFADMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787448193 1076814870 /nfs/dbraw/zinc/81/48/70/1076814870.db2.gz BQFOBAQHKRBWEL-FRQCXROJSA-N 1 1 417.554 2.690 20 0 HFADMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787435124 1076822607 /nfs/dbraw/zinc/82/26/07/1076822607.db2.gz YUYSOBYIDSFDLD-DLBZAZTESA-N 1 1 419.570 2.842 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)cn1 ZINC000787476943 1076836916 /nfs/dbraw/zinc/83/69/16/1076836916.db2.gz HTXACSVEJPKMNR-UWJYYQICSA-N 1 1 417.513 2.844 20 0 HFADMO O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000746687880 1076837110 /nfs/dbraw/zinc/83/71/10/1076837110.db2.gz MKPVDBOLVPDQLI-SFHVURJKSA-N 1 1 422.554 2.714 20 0 HFADMO O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000746687880 1076837115 /nfs/dbraw/zinc/83/71/15/1076837115.db2.gz MKPVDBOLVPDQLI-SFHVURJKSA-N 1 1 422.554 2.714 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@H]2c2ccccc2C)cn1 ZINC000787477974 1076837302 /nfs/dbraw/zinc/83/73/02/1076837302.db2.gz NOPQXAWNLPACBP-FQEVSTJZSA-N 1 1 403.486 2.864 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(Cc2cccc(F)c2)C2CC2)cn1 ZINC000787481240 1076839028 /nfs/dbraw/zinc/83/90/28/1076839028.db2.gz LGIHFKSXSPYPMM-UHFFFAOYSA-N 1 1 407.449 2.522 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[C@@H](c3cccc(C)c3)C2)cn1 ZINC000787484001 1076841699 /nfs/dbraw/zinc/84/16/99/1076841699.db2.gz HYQQLXOCNUWYID-HXUWFJFHSA-N 1 1 403.486 2.516 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H](c2ccccc2)C2CCC2)cn1 ZINC000787485958 1076843123 /nfs/dbraw/zinc/84/31/23/1076843123.db2.gz OFWIPSOFXUVFJC-NRFANRHFSA-N 1 1 403.486 2.850 20 0 HFADMO CC[C@@H]1c2ccsc2CCN1C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000787485548 1076843494 /nfs/dbraw/zinc/84/34/94/1076843494.db2.gz LEGMGQHCEFFJBU-QGZVFWFLSA-N 1 1 409.515 2.789 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC(c3ccc(F)cc3)CC2)cn1 ZINC000787486969 1076843693 /nfs/dbraw/zinc/84/36/93/1076843693.db2.gz TUZURZMLHKRICV-UHFFFAOYSA-N 1 1 421.476 2.737 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@H](Cc3ccccc3)C2)cn1 ZINC000787487007 1076843733 /nfs/dbraw/zinc/84/37/33/1076843733.db2.gz AGASGWQATZOXQC-HXUWFJFHSA-N 1 1 417.513 2.673 20 0 HFADMO CC[C@@H](CSc1ccccc1)NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000787487523 1076844449 /nfs/dbraw/zinc/84/44/49/1076844449.db2.gz DIRRMTGKCCMOKN-SFHVURJKSA-N 1 1 423.542 2.879 20 0 HFADMO C[NH+](C)CCn1ccc2ccc(NC(=O)Cn3c(=O)c4ccccc4[nH]c3=S)cc21 ZINC000746692228 1076847833 /nfs/dbraw/zinc/84/78/33/1076847833.db2.gz PSLPFWUKEDSIEF-UHFFFAOYSA-N 1 1 421.526 2.840 20 0 HFADMO CC1CC[NH+](C[C@H]2CCCN(C(=O)Cn3c(=O)c4ccccc4[nH]c3=S)C2)CC1 ZINC000746688661 1076858224 /nfs/dbraw/zinc/85/82/24/1076858224.db2.gz JHXCURSGVKOQHJ-QGZVFWFLSA-N 1 1 414.575 2.656 20 0 HFADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000746697333 1076864403 /nfs/dbraw/zinc/86/44/03/1076864403.db2.gz SFKWVAWNHRBMPL-QGZVFWFLSA-N 1 1 422.554 2.808 20 0 HFADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000746697333 1076864411 /nfs/dbraw/zinc/86/44/11/1076864411.db2.gz SFKWVAWNHRBMPL-QGZVFWFLSA-N 1 1 422.554 2.808 20 0 HFADMO CS[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000787609929 1076877172 /nfs/dbraw/zinc/87/71/72/1076877172.db2.gz POGALMBYGOVQQF-KSZLIROESA-N 1 1 409.983 2.993 20 0 HFADMO Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000787649585 1076897573 /nfs/dbraw/zinc/89/75/73/1076897573.db2.gz BOHNXMKGZSOAQZ-INIZCTEOSA-N 1 1 408.424 2.733 20 0 HFADMO COCCN(CCOC)C1CC[NH+](CC[C@H]2Sc3ccccc3NC2=O)CC1 ZINC001170076047 1076904057 /nfs/dbraw/zinc/90/40/57/1076904057.db2.gz XZNDIXAYFCYNSN-HXUWFJFHSA-N 1 1 407.580 2.549 20 0 HFADMO Cc1nc2ccccn2c(=O)c1CC[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000787720403 1076907242 /nfs/dbraw/zinc/90/72/42/1076907242.db2.gz WZBCTLYUZZUYOS-UHFFFAOYSA-N 1 1 406.486 2.752 20 0 HFADMO CC[N@H+](CC(=O)Nc1ccccc1OC)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000787690353 1076913047 /nfs/dbraw/zinc/91/30/47/1076913047.db2.gz XSPIKPMNQGMKNK-GCJKJVERSA-N 1 1 421.538 2.716 20 0 HFADMO CC[N@@H+](CC(=O)Nc1ccccc1OC)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000787690353 1076913049 /nfs/dbraw/zinc/91/30/49/1076913049.db2.gz XSPIKPMNQGMKNK-GCJKJVERSA-N 1 1 421.538 2.716 20 0 HFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)C1 ZINC000787709553 1076921643 /nfs/dbraw/zinc/92/16/43/1076921643.db2.gz XVPSRLKMFWJTFJ-XQBPLPMBSA-N 1 1 415.578 2.755 20 0 HFADMO C[N@@H+](CC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1)[C@@H]1CCSC1 ZINC000787783229 1076944766 /nfs/dbraw/zinc/94/47/66/1076944766.db2.gz PMZYNBGVCOIFMZ-LJQANCHMSA-N 1 1 405.564 2.589 20 0 HFADMO Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)Nc3cc(C)cnc3Cl)CC2)oc1C ZINC000787884748 1076977741 /nfs/dbraw/zinc/97/77/41/1076977741.db2.gz YQQKCTRCAZGLEY-UHFFFAOYSA-N 1 1 419.913 2.615 20 0 HFADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC1CCC(O)(c2ccccc2)CC1 ZINC000787903156 1076988047 /nfs/dbraw/zinc/98/80/47/1076988047.db2.gz KEDCAGGLDDFFNI-RNQSCQIESA-N 1 1 415.578 2.704 20 0 HFADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000787904492 1076988582 /nfs/dbraw/zinc/98/85/82/1076988582.db2.gz SZGLKUWUKHXTDX-SIKLNZKXSA-N 1 1 415.578 2.729 20 0 HFADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N(C)Cc1ccn(-c2ccccc2)n1 ZINC000787903926 1076988967 /nfs/dbraw/zinc/98/89/67/1076988967.db2.gz ORYWIAHTBRMOMW-IBGZPJMESA-N 1 1 411.550 2.602 20 0 HFADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)C1 ZINC000787909289 1076990918 /nfs/dbraw/zinc/99/09/18/1076990918.db2.gz MICFLVSENSVHAX-KNQAVFIVSA-N 1 1 415.578 2.587 20 0 HFADMO CCc1ccc(N2CCN(C(=O)C(=O)NCCCC[N@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000787913596 1076992722 /nfs/dbraw/zinc/99/27/22/1076992722.db2.gz WJTBPSKKMATLBH-FQEVSTJZSA-N 1 1 414.594 2.526 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCCOc1ncccc1C(F)(F)F ZINC000746714916 1077002096 /nfs/dbraw/zinc/00/20/96/1077002096.db2.gz PCWCCGCLJKYYMB-UHFFFAOYSA-N 1 1 420.395 2.868 20 0 HFADMO COC(=O)c1cc(NC(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)ccc1F ZINC000746721392 1077006511 /nfs/dbraw/zinc/00/65/11/1077006511.db2.gz VJYQOVDXQLXDHZ-MRXNPFEDSA-N 1 1 414.481 2.945 20 0 HFADMO C[C@H](Cc1ccco1)NC(=O)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000787960941 1077009904 /nfs/dbraw/zinc/00/99/04/1077009904.db2.gz JLHJIGPABJRZNO-GOSISDBHSA-N 1 1 405.498 2.824 20 0 HFADMO C[N@@H+](CCOc1cccc(CNC(=O)NOCc2cccnc2)c1)C1CCOCC1 ZINC000746723501 1077011024 /nfs/dbraw/zinc/01/10/24/1077011024.db2.gz YYLFQPMBNLRLBX-UHFFFAOYSA-N 1 1 414.506 2.502 20 0 HFADMO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788005272 1077026801 /nfs/dbraw/zinc/02/68/01/1077026801.db2.gz VQUYDPXLDGWBIS-QZTJIDSGSA-N 1 1 419.566 2.646 20 0 HFADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)NOCc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000746731551 1077070632 /nfs/dbraw/zinc/07/06/32/1077070632.db2.gz RTLAOTFVCDXNGS-MRXNPFEDSA-N 1 1 400.445 2.605 20 0 HFADMO C[NH+]1CCC(N2CC[C@@H](NC(=O)NOCc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000746731551 1077070636 /nfs/dbraw/zinc/07/06/36/1077070636.db2.gz RTLAOTFVCDXNGS-MRXNPFEDSA-N 1 1 400.445 2.605 20 0 HFADMO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000788195351 1077076141 /nfs/dbraw/zinc/07/61/41/1077076141.db2.gz LYPCLUIEMHQNEF-UHFFFAOYSA-N 1 1 402.861 2.718 20 0 HFADMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)C1 ZINC000788305242 1077092928 /nfs/dbraw/zinc/09/29/28/1077092928.db2.gz ONZXRRPLLKEDAP-DUXKGJEZSA-N 1 1 424.545 2.672 20 0 HFADMO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1cc(Br)n[nH]1 ZINC000788290024 1077098914 /nfs/dbraw/zinc/09/89/14/1077098914.db2.gz YXBBPQFVUVPRCZ-UHFFFAOYSA-N 1 1 404.312 2.957 20 0 HFADMO C[NH+]1CCN(C(=O)c2ccnc(NCC[C@@H]3CCc4ccc5c(c43)CCO5)c2)CC1 ZINC001170084451 1077121764 /nfs/dbraw/zinc/12/17/64/1077121764.db2.gz LQGPCWRVKWPLDS-SFHVURJKSA-N 1 1 406.530 2.936 20 0 HFADMO Cn1cc(-c2ccc(=O)n(CN3CC[C@@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)n2)cn1 ZINC000788373599 1077132367 /nfs/dbraw/zinc/13/23/67/1077132367.db2.gz MEBMXWWKWGMABK-DEOSSOPVSA-N 1 1 418.545 2.589 20 0 HFADMO Cc1ccc(-c2nn(CN(C)[C@H](C)C[NH+]3CCOCC3)c(=O)c3ccccc32)cc1 ZINC000788375675 1077133285 /nfs/dbraw/zinc/13/32/85/1077133285.db2.gz ARWFRZBARKFPQJ-LJQANCHMSA-N 1 1 406.530 2.982 20 0 HFADMO C[C@H](C[NH+]1CCOCC1)N(C)Cn1nc(C2CC2)n(Cc2ccccc2)c1=S ZINC000788377616 1077134411 /nfs/dbraw/zinc/13/44/11/1077134411.db2.gz MPUGWBANIKSRFL-QGZVFWFLSA-N 1 1 401.580 2.950 20 0 HFADMO O=C1C[C@@]2(CCc3ccccc32)C(=O)N1CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788383449 1077137896 /nfs/dbraw/zinc/13/78/96/1077137896.db2.gz YSWWNDGLBVRTON-RUZDIDTESA-N 1 1 418.541 2.999 20 0 HFADMO Cc1cccc(CN2CC[NH+](CCN3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1 ZINC000788468785 1077169616 /nfs/dbraw/zinc/16/96/16/1077169616.db2.gz BCPDCUJSWPRAER-UHFFFAOYSA-N 1 1 402.583 2.665 20 0 HFADMO C[C@H]1C[C@@H](CCNC(=O)C(=O)NCCSC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000788546845 1077196463 /nfs/dbraw/zinc/19/64/63/1077196463.db2.gz MBUYENWLLWNKMY-GOEBONIOSA-N 1 1 417.497 2.773 20 0 HFADMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000788563189 1077201780 /nfs/dbraw/zinc/20/17/80/1077201780.db2.gz OMHCMENOMBGVJR-CGTJXYLNSA-N 1 1 409.452 2.764 20 0 HFADMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000788563190 1077201798 /nfs/dbraw/zinc/20/17/98/1077201798.db2.gz OMHCMENOMBGVJR-JQHSSLGASA-N 1 1 409.452 2.764 20 0 HFADMO C[C@@H]([NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1nc(Br)ccc1F ZINC000788585861 1077213180 /nfs/dbraw/zinc/21/31/80/1077213180.db2.gz XAWZZHIXLXGDMF-MLCYQJTMSA-N 1 1 421.270 2.889 20 0 HFADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CC(=O)NCC(=O)c3cccs3)C2)s1 ZINC001170086776 1077216699 /nfs/dbraw/zinc/21/66/99/1077216699.db2.gz XDPJVFZDYXQMSJ-INIZCTEOSA-N 1 1 405.589 2.871 20 0 HFADMO CC(C)[NH+]1CC(NC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3)c2)C1 ZINC000788601557 1077219825 /nfs/dbraw/zinc/21/98/25/1077219825.db2.gz CUEFEVAKGXIWKE-UHFFFAOYSA-N 1 1 421.950 2.641 20 0 HFADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000788653299 1077226681 /nfs/dbraw/zinc/22/66/81/1077226681.db2.gz FGZPFSQGBZTWBZ-DZFGPLHGSA-N 1 1 424.545 2.815 20 0 HFADMO Cc1cc(NC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)ccc1N1CCSCC1 ZINC000790975595 1077268183 /nfs/dbraw/zinc/26/81/83/1077268183.db2.gz RDZYOLAJUIXOCD-LJQANCHMSA-N 1 1 418.607 2.723 20 0 HFADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000788716350 1077269220 /nfs/dbraw/zinc/26/92/20/1077269220.db2.gz VUUYDIKBUVHAGH-PZJWPPBQSA-N 1 1 400.567 2.941 20 0 HFADMO O=C([C@@H](Cc1ccccc1)[NH2+][C@@H]1COCc2cccc(Cl)c21)N1CCOCC1 ZINC000788753192 1077276751 /nfs/dbraw/zinc/27/67/51/1077276751.db2.gz ZFLMDOFPSNDWJE-WOJBJXKFSA-N 1 1 400.906 2.971 20 0 HFADMO CCOC(=O)[C@H]1[C@H]([NH2+]C2(C(=O)Nc3ccccc3)CC2)CCN1C(=O)OC(C)(C)C ZINC000788765296 1077281185 /nfs/dbraw/zinc/28/11/85/1077281185.db2.gz MSMGNBUHRBMMMX-IAGOWNOFSA-N 1 1 417.506 2.688 20 0 HFADMO C[C@@]1(CNC(=O)Cc2ccccc2S(C)(=O)=O)CC[N@@H+](Cc2ccccc2)C1 ZINC000791054943 1077284796 /nfs/dbraw/zinc/28/47/96/1077284796.db2.gz GNIXBNFBVLBVPX-QFIPXVFZSA-N 1 1 400.544 2.661 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000791063829 1077287007 /nfs/dbraw/zinc/28/70/07/1077287007.db2.gz YKBFRWAOEQAAAV-SFHVURJKSA-N 1 1 422.533 2.690 20 0 HFADMO C[C@H]1CCCN(C(=O)C2CC[NH+](CN3C(=O)C[C@H](Cc4ccccc4)C3=O)CC2)C1 ZINC000788773810 1077297312 /nfs/dbraw/zinc/29/73/12/1077297312.db2.gz ZGSKCKTYIFIMLO-RXVVDRJESA-N 1 1 411.546 2.532 20 0 HFADMO CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000788816928 1077307470 /nfs/dbraw/zinc/30/74/70/1077307470.db2.gz WYSXUGLVTLSGIO-PMACEKPBSA-N 1 1 413.562 2.924 20 0 HFADMO C[C@@H](CNC(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2)[N@@H+]1CCc2sccc2C1 ZINC000788823327 1077309905 /nfs/dbraw/zinc/30/99/05/1077309905.db2.gz LSIGPOLMLIXQKT-GOEBONIOSA-N 1 1 405.564 2.868 20 0 HFADMO C[C@@H](CNC(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2)[N@H+]1CCc2sccc2C1 ZINC000788823327 1077309912 /nfs/dbraw/zinc/30/99/12/1077309912.db2.gz LSIGPOLMLIXQKT-GOEBONIOSA-N 1 1 405.564 2.868 20 0 HFADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)C1 ZINC000788851328 1077319914 /nfs/dbraw/zinc/31/99/14/1077319914.db2.gz UKOBHTDIWCXJCT-IBGZPJMESA-N 1 1 424.973 2.892 20 0 HFADMO O=S(=O)(NCC[NH2+][C@H]1COCc2cccc(Cl)c21)c1ccc(F)cc1F ZINC000788815411 1077321819 /nfs/dbraw/zinc/32/18/19/1077321819.db2.gz NUSTWCBAGDNEBQ-HNNXBMFYSA-N 1 1 402.850 2.758 20 0 HFADMO O=S(=O)(NCC[NH2+][C@@H]1COCc2cccc(Cl)c21)c1ccc(F)cc1F ZINC000788815412 1077321854 /nfs/dbraw/zinc/32/18/54/1077321854.db2.gz NUSTWCBAGDNEBQ-OAHLLOKOSA-N 1 1 402.850 2.758 20 0 HFADMO CC(C)[C@H](NC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1)[C@H](O)c1ccccc1 ZINC000788861635 1077322578 /nfs/dbraw/zinc/32/25/78/1077322578.db2.gz VDFVQWSGBMWIRX-BJKOFHAPSA-N 1 1 424.589 2.991 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)NCc2ncc(C(C)(C)C)o2)CC1 ZINC000746773239 1077338281 /nfs/dbraw/zinc/33/82/81/1077338281.db2.gz FZDBQYYJNFTMSE-UHFFFAOYSA-N 1 1 423.558 2.714 20 0 HFADMO C[C@H](CCNC(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O)[N@@H+](C)Cc1ccccc1 ZINC000746774554 1077342401 /nfs/dbraw/zinc/34/24/01/1077342401.db2.gz QHUFSKGJWCVPOU-WBVHZDCISA-N 1 1 414.472 2.702 20 0 HFADMO COc1ccc2c(C)c(CCC(=O)N3CC[C@H]([NH+]4CCC4)[C@H](F)C3)c(=O)oc2c1 ZINC000791260303 1077350921 /nfs/dbraw/zinc/35/09/21/1077350921.db2.gz UKJHNIMIXYUGPE-MOPGFXCFSA-N 1 1 402.466 2.687 20 0 HFADMO COc1ccc2c(C)c(CCC(=O)N3CC[C@@H]([NH+]4CCC4)[C@H](F)C3)c(=O)oc2c1 ZINC000791260306 1077351069 /nfs/dbraw/zinc/35/10/69/1077351069.db2.gz UKJHNIMIXYUGPE-RTBURBONSA-N 1 1 402.466 2.687 20 0 HFADMO CC(C)(C)OC(=O)N1CCC(SCC(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000791387769 1077396030 /nfs/dbraw/zinc/39/60/30/1077396030.db2.gz DNYVQGJHRSJBLK-UHFFFAOYSA-N 1 1 408.568 2.968 20 0 HFADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000791409946 1077401982 /nfs/dbraw/zinc/40/19/82/1077401982.db2.gz XCNMDRNLPUCJKP-OAHLLOKOSA-N 1 1 415.515 2.710 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000791444797 1077409772 /nfs/dbraw/zinc/40/97/72/1077409772.db2.gz ZWZKIINJXRZRKS-OAQYLSRUSA-N 1 1 401.551 2.641 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)C2)c1 ZINC000791478135 1077419814 /nfs/dbraw/zinc/41/98/14/1077419814.db2.gz JSNKQCKNCWIYJW-IFMALSPDSA-N 1 1 409.486 2.712 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)C2)c1 ZINC000791478135 1077419817 /nfs/dbraw/zinc/41/98/17/1077419817.db2.gz JSNKQCKNCWIYJW-IFMALSPDSA-N 1 1 409.486 2.712 20 0 HFADMO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](C[C@H](O)Cc2ccc3ccccc3c2)CCO1 ZINC000791494538 1077440617 /nfs/dbraw/zinc/44/06/17/1077440617.db2.gz TYJIBKYJTCMXOV-RTWAWAEBSA-N 1 1 400.519 2.969 20 0 HFADMO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)CCO1 ZINC000791494538 1077440622 /nfs/dbraw/zinc/44/06/22/1077440622.db2.gz TYJIBKYJTCMXOV-RTWAWAEBSA-N 1 1 400.519 2.969 20 0 HFADMO CC(=O)c1ccc(N2CCN(C(=O)C[N@H+]3CC[C@H](C(F)(F)F)[C@H]3C)CC2)c(F)c1 ZINC000791582426 1077471575 /nfs/dbraw/zinc/47/15/75/1077471575.db2.gz AZXHJPIDSLORHM-CJNGLKHVSA-N 1 1 415.431 2.950 20 0 HFADMO CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H](C(F)(F)F)[C@H]3C)CC2)c(F)c1 ZINC000791582426 1077471577 /nfs/dbraw/zinc/47/15/77/1077471577.db2.gz AZXHJPIDSLORHM-CJNGLKHVSA-N 1 1 415.431 2.950 20 0 HFADMO COc1cc(OC2CC2)ccc1C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000791610586 1077486426 /nfs/dbraw/zinc/48/64/26/1077486426.db2.gz ODQJDPCKAXTWNY-UHFFFAOYSA-N 1 1 424.497 2.738 20 0 HFADMO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1N1CCOC1=O ZINC000746797955 1077488451 /nfs/dbraw/zinc/48/84/51/1077488451.db2.gz QHCUSNKIGCKPQP-QGZVFWFLSA-N 1 1 424.501 2.527 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000791594207 1077496421 /nfs/dbraw/zinc/49/64/21/1077496421.db2.gz ZBXUUFPNPFQJCJ-QGZVFWFLSA-N 1 1 407.942 2.652 20 0 HFADMO Cc1ccc([C@@H]2CC[N@@H+](CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)C2)c(C)c1 ZINC000791606566 1077502985 /nfs/dbraw/zinc/50/29/85/1077502985.db2.gz VCVOTKXZIBZXIT-GOSISDBHSA-N 1 1 412.534 2.769 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N(C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000791641815 1077506217 /nfs/dbraw/zinc/50/62/17/1077506217.db2.gz LBDZZSJZFPLPAO-FDDCHVKYSA-N 1 1 423.513 2.930 20 0 HFADMO C[C@H](OC(=O)[C@H]1CC(=O)c2ccccc21)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000789306123 1077507857 /nfs/dbraw/zinc/50/78/57/1077507857.db2.gz CAMXWZFYSWJMLA-MDKPJZGXSA-N 1 1 406.482 2.679 20 0 HFADMO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC000791644832 1077508753 /nfs/dbraw/zinc/50/87/53/1077508753.db2.gz BMYZXQXZYJXXNC-HXUWFJFHSA-N 1 1 409.486 2.712 20 0 HFADMO NC(=O)c1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC000791644832 1077508757 /nfs/dbraw/zinc/50/87/57/1077508757.db2.gz BMYZXQXZYJXXNC-HXUWFJFHSA-N 1 1 409.486 2.712 20 0 HFADMO Cc1cc(N2CC[C@@H]([NH+]3CCC(COc4ccc(Cl)nc4)CC3)C2=O)n(C)n1 ZINC000789309823 1077509193 /nfs/dbraw/zinc/50/91/93/1077509193.db2.gz HNRUTLAJTIRFEK-QGZVFWFLSA-N 1 1 403.914 2.673 20 0 HFADMO COC(=O)[C@]1(NC(=O)c2ccnn2-c2ccccc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000791634597 1077520784 /nfs/dbraw/zinc/52/07/84/1077520784.db2.gz RAEWGWREMNODMY-DEOSSOPVSA-N 1 1 418.497 2.810 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)C2)c1 ZINC000791707674 1077521731 /nfs/dbraw/zinc/52/17/31/1077521731.db2.gz YCMPTOQLKWLDHB-VZPUWSDOSA-N 1 1 423.513 2.834 20 0 HFADMO C[C@@H]1CN(CC[N@@H+](C)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H](C)O1 ZINC000789329921 1077522921 /nfs/dbraw/zinc/52/29/21/1077522921.db2.gz QLUURACRPYIOFK-KDURUIRLSA-N 1 1 401.551 2.884 20 0 HFADMO COc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)CCc3ccc(C)o3)CC2)cc1 ZINC000747036455 1077538771 /nfs/dbraw/zinc/53/87/71/1077538771.db2.gz JJJDVXDMDDWKJF-UHFFFAOYSA-N 1 1 414.502 2.807 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000791753412 1077552777 /nfs/dbraw/zinc/55/27/77/1077552777.db2.gz VQIHLIROEPJZLF-MRXNPFEDSA-N 1 1 418.538 2.683 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000791764967 1077556963 /nfs/dbraw/zinc/55/69/63/1077556963.db2.gz DSNLWAKMSZZCKS-IBGZPJMESA-N 1 1 407.942 2.652 20 0 HFADMO CC(C)Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000746806845 1077565139 /nfs/dbraw/zinc/56/51/39/1077565139.db2.gz HVKFSQCIZZZCHD-HXUWFJFHSA-N 1 1 411.550 2.680 20 0 HFADMO Cc1nccn1-c1ccc(NC(=O)C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cn1 ZINC000746808140 1077566026 /nfs/dbraw/zinc/56/60/26/1077566026.db2.gz FWHIICCZDRNCOP-KRWDZBQOSA-N 1 1 420.517 2.541 20 0 HFADMO O=C(CN1C(=O)COc2ccc(Cl)cc21)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000791822495 1077567647 /nfs/dbraw/zinc/56/76/47/1077567647.db2.gz IYYDZVFNTATUHU-QGZVFWFLSA-N 1 1 413.905 2.704 20 0 HFADMO COC(=O)c1n[nH]c2ccc(NC(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc21 ZINC000791821885 1077568018 /nfs/dbraw/zinc/56/80/18/1077568018.db2.gz GAWAZLMRAISHCB-MRXNPFEDSA-N 1 1 407.474 2.993 20 0 HFADMO O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000791827759 1077576239 /nfs/dbraw/zinc/57/62/39/1077576239.db2.gz IVPUTGNUZDTFEC-SFHVURJKSA-N 1 1 422.497 2.864 20 0 HFADMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000791828656 1077576907 /nfs/dbraw/zinc/57/69/07/1077576907.db2.gz NQIFYMKIXKRWPP-SFHVURJKSA-N 1 1 406.461 2.624 20 0 HFADMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nccn2c(Br)cnc12 ZINC000791828935 1077576936 /nfs/dbraw/zinc/57/69/36/1077576936.db2.gz RNXDZJZGHSGJGF-OAHLLOKOSA-N 1 1 414.307 2.744 20 0 HFADMO COC(=O)Nc1ccc(NC(=O)C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000746813774 1077578625 /nfs/dbraw/zinc/57/86/25/1077578625.db2.gz ZIBOWJNMDNGCFR-INIZCTEOSA-N 1 1 412.490 2.830 20 0 HFADMO Cc1c(C(=O)OCCC[NH+]2CCN(C(C)C)CC2)nnn1-c1cccc2cccnc21 ZINC000791885927 1077586348 /nfs/dbraw/zinc/58/63/48/1077586348.db2.gz XAJANEJQICVPGZ-UHFFFAOYSA-N 1 1 422.533 2.697 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@H](c2ccccc2)N2CCCCC2=O)CC1 ZINC000791876098 1077595155 /nfs/dbraw/zinc/59/51/55/1077595155.db2.gz QINCMFPSYQTCKM-QFIPXVFZSA-N 1 1 401.551 2.700 20 0 HFADMO CCS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000791938850 1077600109 /nfs/dbraw/zinc/60/01/09/1077600109.db2.gz IHOAUAZFNGBZEG-HDICACEKSA-N 1 1 416.518 2.823 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)CC1 ZINC000791913853 1077608687 /nfs/dbraw/zinc/60/86/87/1077608687.db2.gz XGWHZBUPZOKNFP-FPOVZHCZSA-N 1 1 421.969 2.819 20 0 HFADMO CC(C)CNC(=O)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000746820901 1077610089 /nfs/dbraw/zinc/61/00/89/1077610089.db2.gz ICBFFYWPZKJVMS-HXUWFJFHSA-N 1 1 403.592 2.787 20 0 HFADMO Cc1cc2ncn(C[C@H](O)C[N@H+](C)[C@@H]3CCN(Cc4ccccc4)C3=O)c2cc1C ZINC000789523402 1077619676 /nfs/dbraw/zinc/61/96/76/1077619676.db2.gz YTWCGOWUOKKKFM-IFMALSPDSA-N 1 1 406.530 2.747 20 0 HFADMO CC(=O)Nc1ccc2c(C[N@@H+](C)[C@@H]3CCN(Cc4ccccc4)C3=O)cc(=O)oc2c1 ZINC000789523399 1077619716 /nfs/dbraw/zinc/61/97/16/1077619716.db2.gz YSCXKXPYPZJBBM-OAQYLSRUSA-N 1 1 419.481 2.984 20 0 HFADMO CC(=O)Nc1ccc2c(C[N@H+](C)[C@@H]3CCN(Cc4ccccc4)C3=O)cc(=O)oc2c1 ZINC000789523399 1077619719 /nfs/dbraw/zinc/61/97/19/1077619719.db2.gz YSCXKXPYPZJBBM-OAQYLSRUSA-N 1 1 419.481 2.984 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCCCC[N@H+]3CCC[C@H](C)C3)C2)c1 ZINC000792056675 1077661285 /nfs/dbraw/zinc/66/12/85/1077661285.db2.gz HXWMZURUJWRKGN-HRAATJIYSA-N 1 1 403.523 2.825 20 0 HFADMO CC(C)CCOC1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792060208 1077667464 /nfs/dbraw/zinc/66/74/64/1077667464.db2.gz HJPFOFGBIUOCLD-UHFFFAOYSA-N 1 1 411.587 2.983 20 0 HFADMO COc1ccc(Cl)cc1CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792062258 1077670192 /nfs/dbraw/zinc/67/01/92/1077670192.db2.gz RODOAIXEXHYQJT-UHFFFAOYSA-N 1 1 411.930 2.908 20 0 HFADMO CC(C)c1cccc2c1CC[N@@H+](CCC(=O)NN1C(=O)NC3(CCCCC3)C1=O)C2 ZINC000789555093 1077673113 /nfs/dbraw/zinc/67/31/13/1077673113.db2.gz SAKJXYAGAGAAGM-UHFFFAOYSA-N 1 1 412.534 2.844 20 0 HFADMO CCOc1ccccc1CN(C)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792066727 1077673795 /nfs/dbraw/zinc/67/37/95/1077673795.db2.gz RANKUBUUDCLHTQ-UHFFFAOYSA-N 1 1 405.539 2.987 20 0 HFADMO C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1nc2ccccc2[nH]1 ZINC000792035164 1077686825 /nfs/dbraw/zinc/68/68/25/1077686825.db2.gz WQSNYCCAWMWIIX-OAHLLOKOSA-N 1 1 401.511 2.683 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000792051175 1077694958 /nfs/dbraw/zinc/69/49/58/1077694958.db2.gz MCZZQUOUFLAMRV-LJQANCHMSA-N 1 1 421.513 2.668 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000792079480 1077704177 /nfs/dbraw/zinc/70/41/77/1077704177.db2.gz NGQGZXLBOXPOBN-QGZVFWFLSA-N 1 1 413.275 2.958 20 0 HFADMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2nc(Br)ccc2F)C[C@@H](C)O1 ZINC000792087106 1077710552 /nfs/dbraw/zinc/71/05/52/1077710552.db2.gz YHWMHTPAVIMRKV-UPJWGTAASA-N 1 1 400.292 2.697 20 0 HFADMO O=C(NCC[S@@](=O)Cc1ccccc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792095586 1077713407 /nfs/dbraw/zinc/71/34/07/1077713407.db2.gz AWSBHGADLRIVOZ-UETOGOEVSA-N 1 1 411.571 2.709 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CC[C@H](Nc3ccccc3)C2)CC1 ZINC000792133015 1077718068 /nfs/dbraw/zinc/71/80/68/1077718068.db2.gz IMRAQFBCOICYBJ-IBGZPJMESA-N 1 1 402.539 2.642 20 0 HFADMO COC(=O)c1ccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000792135547 1077718627 /nfs/dbraw/zinc/71/86/27/1077718627.db2.gz BIRYMUFEUAINBA-UHFFFAOYSA-N 1 1 405.495 2.663 20 0 HFADMO COc1cccc(C2=NO[C@@H](C(=O)NC[C@@H]3CC[N@@H+](CCc4ccccc4)C3)C2)c1 ZINC000792137443 1077719031 /nfs/dbraw/zinc/71/90/31/1077719031.db2.gz RHRRSDDJVZWTOW-WMZHIEFXSA-N 1 1 407.514 2.869 20 0 HFADMO CCOCC[NH+]1CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000792155549 1077725088 /nfs/dbraw/zinc/72/50/88/1077725088.db2.gz ANLYEIIYOYGZQD-LJQANCHMSA-N 1 1 423.529 2.615 20 0 HFADMO COc1ccccc1C1(CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792121972 1077728910 /nfs/dbraw/zinc/72/89/10/1077728910.db2.gz VXQQYPDNIJKFKH-UHFFFAOYSA-N 1 1 417.550 2.786 20 0 HFADMO C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1nc2ccccc2o1 ZINC000792208180 1077731006 /nfs/dbraw/zinc/73/10/06/1077731006.db2.gz RARIFOSSZWDTEK-INIZCTEOSA-N 1 1 416.522 2.990 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000789667551 1077734634 /nfs/dbraw/zinc/73/46/34/1077734634.db2.gz JCIMOYFZVMGCBJ-OAQYLSRUSA-N 1 1 408.546 2.540 20 0 HFADMO CCc1nc([C@H]2CCCCN2C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)no1 ZINC000792190388 1077739389 /nfs/dbraw/zinc/73/93/89/1077739389.db2.gz KLGFSZKDTLFOFS-MRXNPFEDSA-N 1 1 421.542 2.628 20 0 HFADMO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000789729954 1077741869 /nfs/dbraw/zinc/74/18/69/1077741869.db2.gz YELMSACLYAUPQN-HNNXBMFYSA-N 1 1 417.510 2.523 20 0 HFADMO Cn1c2ccc(F)cc2nc1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792206812 1077745948 /nfs/dbraw/zinc/74/59/48/1077745948.db2.gz OOQYTEFKBXDHBT-UHFFFAOYSA-N 1 1 405.474 2.594 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCO[C@@](C)(c3ccccc3)C2)CC1 ZINC000792227166 1077752708 /nfs/dbraw/zinc/75/27/08/1077752708.db2.gz XITDQYHQIRWIFB-HSZRJFAPSA-N 1 1 417.550 2.703 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N[C@H](CCCO)c2ccccc2)CC1 ZINC000792233856 1077756139 /nfs/dbraw/zinc/75/61/39/1077756139.db2.gz UQZRPXXDOTWONI-LJQANCHMSA-N 1 1 405.539 2.559 20 0 HFADMO CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792234368 1077757229 /nfs/dbraw/zinc/75/72/29/1077757229.db2.gz UFJMCEUJINGEBT-GOSISDBHSA-N 1 1 405.502 2.999 20 0 HFADMO C[C@@H](CCc1ccc(O)cc1)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792239586 1077759972 /nfs/dbraw/zinc/75/99/72/1077759972.db2.gz JVEJFTWSICXMRN-KRWDZBQOSA-N 1 1 405.539 2.772 20 0 HFADMO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc3sccc3C1)CCC2 ZINC000789724859 1077760634 /nfs/dbraw/zinc/76/06/34/1077760634.db2.gz RZNKOMINWXQDLM-MLGOLLRUSA-N 1 1 418.588 2.570 20 0 HFADMO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc3sccc3C1)CCC2 ZINC000789724859 1077760637 /nfs/dbraw/zinc/76/06/37/1077760637.db2.gz RZNKOMINWXQDLM-MLGOLLRUSA-N 1 1 418.588 2.570 20 0 HFADMO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000789725628 1077761466 /nfs/dbraw/zinc/76/14/66/1077761466.db2.gz UEBKUZOWCCGOEC-IAGOWNOFSA-N 1 1 415.559 2.503 20 0 HFADMO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000789725628 1077761470 /nfs/dbraw/zinc/76/14/70/1077761470.db2.gz UEBKUZOWCCGOEC-IAGOWNOFSA-N 1 1 415.559 2.503 20 0 HFADMO CN(C)c1ccc(NC(=O)CC[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000792242291 1077761700 /nfs/dbraw/zinc/76/17/00/1077761700.db2.gz QNHCPFCIPQAYAB-RBUKOAKNSA-N 1 1 403.548 2.967 20 0 HFADMO CN(C)c1ccc(NC(=O)CC[N@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000792242291 1077761706 /nfs/dbraw/zinc/76/17/06/1077761706.db2.gz QNHCPFCIPQAYAB-RBUKOAKNSA-N 1 1 403.548 2.967 20 0 HFADMO CCCCn1ncc(NC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2C)c1C(C)C ZINC000792212089 1077767071 /nfs/dbraw/zinc/76/70/71/1077767071.db2.gz LAKADZPVWYHLPN-UHFFFAOYSA-N 1 1 423.521 2.951 20 0 HFADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C)NC(=O)OC(C)(C)C ZINC000792250642 1077771372 /nfs/dbraw/zinc/77/13/72/1077771372.db2.gz KQCPCPJWDSLQLC-HKUYNNGSSA-N 1 1 419.570 2.991 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2cnn(-c3ccccc3F)c2)CC1 ZINC000792218725 1077771674 /nfs/dbraw/zinc/77/16/74/1077771674.db2.gz WVPMDZMENRWGNY-UHFFFAOYSA-N 1 1 417.485 2.893 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)[C@@H]2CCCc3c(O)cccc32)CC1 ZINC000789737704 1077773011 /nfs/dbraw/zinc/77/30/11/1077773011.db2.gz TXXGBPIXTLYBGY-LJQANCHMSA-N 1 1 417.550 2.871 20 0 HFADMO Cc1ccc(N2CC[NH+](CCN(Cc3ccccc3)S(C)(=O)=O)CC2)cc1C ZINC000792265284 1077787091 /nfs/dbraw/zinc/78/70/91/1077787091.db2.gz MXHIHTXWXLOQHH-UHFFFAOYSA-N 1 1 401.576 2.887 20 0 HFADMO C[C@H](C[C@@H](O)c1cccs1)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792272240 1077788627 /nfs/dbraw/zinc/78/86/27/1077788627.db2.gz CDAJTNBFTYVZQG-HZPDHXFCSA-N 1 1 411.568 2.619 20 0 HFADMO CC(C)N(CCc1nccs1)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792276848 1077791258 /nfs/dbraw/zinc/79/12/58/1077791258.db2.gz GMFUKKXUBSFLRF-UHFFFAOYSA-N 1 1 410.584 2.865 20 0 HFADMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000746859975 1077794698 /nfs/dbraw/zinc/79/46/98/1077794698.db2.gz XIAIJWCVAMINIX-QWFCFKBJSA-N 1 1 419.566 2.895 20 0 HFADMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000746859975 1077794704 /nfs/dbraw/zinc/79/47/04/1077794704.db2.gz XIAIJWCVAMINIX-QWFCFKBJSA-N 1 1 419.566 2.895 20 0 HFADMO Cc1nc2c(s1)[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)CCC2 ZINC000792305526 1077798101 /nfs/dbraw/zinc/79/81/01/1077798101.db2.gz CPZLIRFMGSALRW-INIZCTEOSA-N 1 1 408.568 2.888 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCO[C@H](C3CCCCC3)C2)CC1 ZINC000792324884 1077807088 /nfs/dbraw/zinc/80/70/88/1077807088.db2.gz YFTUGNCKURPTPQ-IBGZPJMESA-N 1 1 409.571 2.737 20 0 HFADMO Cc1cc(C(=O)C[N@@H+](C)C2(CO)CCOCC2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000792400387 1077835910 /nfs/dbraw/zinc/83/59/10/1077835910.db2.gz AZTNNFGHFKJPLJ-UHFFFAOYSA-N 1 1 414.502 2.538 20 0 HFADMO Cc1cc(C(=O)C[N@H+](C)C2(CO)CCOCC2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000792400387 1077835918 /nfs/dbraw/zinc/83/59/18/1077835918.db2.gz AZTNNFGHFKJPLJ-UHFFFAOYSA-N 1 1 414.502 2.538 20 0 HFADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC000746859836 1077844674 /nfs/dbraw/zinc/84/46/74/1077844674.db2.gz VRHKFHVGPAKNCE-RBUKOAKNSA-N 1 1 418.582 2.816 20 0 HFADMO O=C(C[NH+]1CCC(Oc2ccc(F)nc2)CC1)NCCOc1ccc(Cl)cc1 ZINC000792384281 1077848509 /nfs/dbraw/zinc/84/85/09/1077848509.db2.gz IOWPVHMZLRZLCT-UHFFFAOYSA-N 1 1 407.873 2.913 20 0 HFADMO CC(C)n1ncc2cc(C=CC(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)c(=O)[nH]c21 ZINC000792495679 1077867291 /nfs/dbraw/zinc/86/72/91/1077867291.db2.gz NSIJWJROKCEROY-OLHLWXQYSA-N 1 1 419.529 2.957 20 0 HFADMO CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792497381 1077868141 /nfs/dbraw/zinc/86/81/41/1077868141.db2.gz JGAWETVTTLKHAL-ZWKOTPCHSA-N 1 1 405.564 2.935 20 0 HFADMO CC[NH+]1CCN(CCCCNC(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000789980570 1077881855 /nfs/dbraw/zinc/88/18/55/1077881855.db2.gz QJDMKFWOTAZYLW-UHFFFAOYSA-N 1 1 406.880 2.830 20 0 HFADMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)c2ccc3cncn3c2)CC1 ZINC000792549809 1077900118 /nfs/dbraw/zinc/90/01/18/1077900118.db2.gz GIGBFGBFDDOPAJ-UHFFFAOYSA-N 1 1 406.486 2.534 20 0 HFADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)COC(=O)c2ccc3cncn3c2)CC1 ZINC000792549809 1077900121 /nfs/dbraw/zinc/90/01/21/1077900121.db2.gz GIGBFGBFDDOPAJ-UHFFFAOYSA-N 1 1 406.486 2.534 20 0 HFADMO CC[C@@H]1C[C@H]([N@H+]2CCC[C@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)CCO1 ZINC001170206761 1077906101 /nfs/dbraw/zinc/90/61/01/1077906101.db2.gz ARKJACYDCABJIE-KNKQGSTJSA-N 1 1 400.523 2.609 20 0 HFADMO COc1ccc(CCS(=O)(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000790036948 1077907206 /nfs/dbraw/zinc/90/72/06/1077907206.db2.gz AZWRNYAYZXQKSC-QGZVFWFLSA-N 1 1 403.548 2.778 20 0 HFADMO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC001170218800 1077909991 /nfs/dbraw/zinc/90/99/91/1077909991.db2.gz VKLLCOSDTGJXME-PZJWPPBQSA-N 1 1 403.567 2.839 20 0 HFADMO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC001170218800 1077909994 /nfs/dbraw/zinc/90/99/94/1077909994.db2.gz VKLLCOSDTGJXME-PZJWPPBQSA-N 1 1 403.567 2.839 20 0 HFADMO CC[C@H]1C[C@@H]([N@H+]2CC[C@H]3C(=O)N(Cc4ccc(OC)cc4)CCO[C@H]3C2)CCO1 ZINC001170224202 1077916793 /nfs/dbraw/zinc/91/67/93/1077916793.db2.gz UITSCTRZWRPBLP-MPJJRAAHSA-N 1 1 402.535 2.702 20 0 HFADMO O=C(N[C@@H]1CCO[C@H]1C1CC[NH+](C[C@H](O)c2c(F)cccc2F)CC1)C(F)(F)F ZINC001170274145 1077925820 /nfs/dbraw/zinc/92/58/20/1077925820.db2.gz UJBDENMELCBICL-VYDXJSESSA-N 1 1 422.394 2.546 20 0 HFADMO C[C@@H](Cc1ccccc1Cl)[N@H+]1CC[C@H]2CO[C@H](CNC(=O)c3cnccn3)[C@H]2C1 ZINC001170284451 1077937547 /nfs/dbraw/zinc/93/75/47/1077937547.db2.gz NMOYEHHKDXFWBI-QUJKESNLSA-N 1 1 414.937 2.828 20 0 HFADMO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001170332888 1077945707 /nfs/dbraw/zinc/94/57/07/1077945707.db2.gz ITLIIXMROQPTAD-OAGGEKHMSA-N 1 1 419.574 2.550 20 0 HFADMO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001170332888 1077945708 /nfs/dbraw/zinc/94/57/08/1077945708.db2.gz ITLIIXMROQPTAD-OAGGEKHMSA-N 1 1 419.574 2.550 20 0 HFADMO COC(=O)[C@H]1Cc2cc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cnc2NC1=O ZINC001170333660 1077945881 /nfs/dbraw/zinc/94/58/81/1077945881.db2.gz QVBZKNWZMVMEEY-WJMWBRGCSA-N 1 1 420.513 2.973 20 0 HFADMO COC(=O)c1ccc(CNC(=O)[C@H](C)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)cc1 ZINC001170334265 1077946325 /nfs/dbraw/zinc/94/63/25/1077946325.db2.gz YZCJPTRPUGGOQF-UXHICEINSA-N 1 1 423.557 2.932 20 0 HFADMO CN(C)c1ccc(NC(=O)CC[N@H+]2CCc3c(cccc3NS(C)(=O)=O)C2)cc1 ZINC000790129470 1077951669 /nfs/dbraw/zinc/95/16/69/1077951669.db2.gz KOSOGASEUZRYAS-UHFFFAOYSA-N 1 1 416.547 2.511 20 0 HFADMO CCOC(=O)c1cc2cc(Br)c(-n3[nH]c(=O)c(CC[NH3+])c3C)cc2[nH]1 ZINC001170344742 1077954139 /nfs/dbraw/zinc/95/41/39/1077954139.db2.gz SXKJMRVUSZDUJP-UHFFFAOYSA-N 1 1 407.268 2.808 20 0 HFADMO CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC001170349962 1077955610 /nfs/dbraw/zinc/95/56/10/1077955610.db2.gz VSTOJBHBYKDSBJ-MSOLQXFVSA-N 1 1 407.555 2.536 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Cn1c2ccccc2nc1SC(F)F ZINC000790121508 1077957710 /nfs/dbraw/zinc/95/77/10/1077957710.db2.gz IJCQTBBMMLLVFJ-UHFFFAOYSA-N 1 1 412.506 2.920 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Cn1c2ccccc2nc1SC(F)F ZINC000790121508 1077957712 /nfs/dbraw/zinc/95/77/12/1077957712.db2.gz IJCQTBBMMLLVFJ-UHFFFAOYSA-N 1 1 412.506 2.920 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000790126206 1077959843 /nfs/dbraw/zinc/95/98/43/1077959843.db2.gz VXKGPKNMBRVCDO-KRWDZBQOSA-N 1 1 409.571 2.593 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000790126206 1077959847 /nfs/dbraw/zinc/95/98/47/1077959847.db2.gz VXKGPKNMBRVCDO-KRWDZBQOSA-N 1 1 409.571 2.593 20 0 HFADMO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000790127917 1077960026 /nfs/dbraw/zinc/96/00/26/1077960026.db2.gz PCXZSUOSARYKMI-NSHGMRRFSA-N 1 1 405.539 2.505 20 0 HFADMO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000790127917 1077960027 /nfs/dbraw/zinc/96/00/27/1077960027.db2.gz PCXZSUOSARYKMI-NSHGMRRFSA-N 1 1 405.539 2.505 20 0 HFADMO O=C(COC(=O)[C@H]1CCC(=O)c2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000792661235 1077962165 /nfs/dbraw/zinc/96/21/65/1077962165.db2.gz RVKMNQQRPHTMCS-NRFANRHFSA-N 1 1 406.482 2.634 20 0 HFADMO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000790189490 1077966876 /nfs/dbraw/zinc/96/68/76/1077966876.db2.gz JOYRKKUXXFABQV-FDFHNCONSA-N 1 1 411.550 2.775 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000790201834 1077968577 /nfs/dbraw/zinc/96/85/77/1077968577.db2.gz DJKCJNBUNXMQOM-AWEZNQCLSA-N 1 1 422.489 2.824 20 0 HFADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)Cc2ccc(Cl)cn2)CC1 ZINC000792711815 1077972081 /nfs/dbraw/zinc/97/20/81/1077972081.db2.gz NWWVKCAYPFWENG-MRXNPFEDSA-N 1 1 401.894 2.726 20 0 HFADMO Cc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)Cc3ccc(Cl)cn3)CC2)cc1 ZINC000792705598 1077979219 /nfs/dbraw/zinc/97/92/19/1077979219.db2.gz SZPDDMBJTURYLD-UHFFFAOYSA-N 1 1 415.921 2.864 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC(Oc3ccc(F)nc3)CC2)cn1 ZINC000790234586 1077982222 /nfs/dbraw/zinc/98/22/22/1077982222.db2.gz JYTITZLOGLBHIL-UHFFFAOYSA-N 1 1 410.453 2.863 20 0 HFADMO COc1ccc([C@@H]2C[C@H]2NC(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000792794308 1077993465 /nfs/dbraw/zinc/99/34/65/1077993465.db2.gz JZCWWYPHBJFWAJ-XUVXKRRUSA-N 1 1 414.575 2.901 20 0 HFADMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1nnnn1C1CC1 ZINC000790358045 1078003313 /nfs/dbraw/zinc/00/33/13/1078003313.db2.gz GQKLNMOZCLSYEE-WFASDCNBSA-N 1 1 423.443 2.662 20 0 HFADMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000792848043 1078013984 /nfs/dbraw/zinc/01/39/84/1078013984.db2.gz LBCJDKQLACNCIT-UIFIKXQLSA-N 1 1 424.545 2.959 20 0 HFADMO C[C@]1(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCN(C(=O)OCc2ccccc2)C1 ZINC000792873565 1078015047 /nfs/dbraw/zinc/01/50/47/1078015047.db2.gz SZSCMLAVEZVXSD-DXIQSLLYSA-N 1 1 400.523 2.714 20 0 HFADMO CC1(C)CN=C(N2CCN(C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)S1 ZINC000792872809 1078015384 /nfs/dbraw/zinc/01/53/84/1078015384.db2.gz PQZWKLWTKMKFBU-FQEVSTJZSA-N 1 1 402.608 2.777 20 0 HFADMO CS(=O)(=O)c1ccc([C@H](O)C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)cc1 ZINC000792883885 1078016810 /nfs/dbraw/zinc/01/68/10/1078016810.db2.gz LDCASOXCHZSHFB-HXUWFJFHSA-N 1 1 410.486 2.614 20 0 HFADMO CS(=O)(=O)c1ccc([C@H](O)C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)cc1 ZINC000792883885 1078016816 /nfs/dbraw/zinc/01/68/16/1078016816.db2.gz LDCASOXCHZSHFB-HXUWFJFHSA-N 1 1 410.486 2.614 20 0 HFADMO COCC[N@H+]1CC[C@@H](NC(=O)N2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC000790373663 1078017679 /nfs/dbraw/zinc/01/76/79/1078017679.db2.gz GKUYTXWTGCYBQA-GOSISDBHSA-N 1 1 424.586 2.530 20 0 HFADMO C[C@@]12CC[N@H+](CC(=O)N3CCN(c4ccc(F)cc4)CC3)C[C@@H]1C2(Cl)Cl ZINC000792909017 1078021379 /nfs/dbraw/zinc/02/13/79/1078021379.db2.gz WUABWTGXXMGTSK-FUHWJXTLSA-N 1 1 400.325 2.990 20 0 HFADMO C[C@@]12CC[N@@H+](CC(=O)N3CCN(c4ccc(F)cc4)CC3)C[C@@H]1C2(Cl)Cl ZINC000792909017 1078021385 /nfs/dbraw/zinc/02/13/85/1078021385.db2.gz WUABWTGXXMGTSK-FUHWJXTLSA-N 1 1 400.325 2.990 20 0 HFADMO CC(C)NC(=O)c1ccccc1NC(=O)CN1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000792939636 1078021802 /nfs/dbraw/zinc/02/18/02/1078021802.db2.gz HPNMCZRXDIQKSJ-FQEVSTJZSA-N 1 1 408.546 2.622 20 0 HFADMO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cn1 ZINC000790420173 1078022394 /nfs/dbraw/zinc/02/23/94/1078022394.db2.gz GSQDMQHAALHSKF-NQSCKRDGSA-N 1 1 411.550 2.773 20 0 HFADMO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)nc1Br ZINC000792945651 1078023200 /nfs/dbraw/zinc/02/32/00/1078023200.db2.gz GHRNQBAJDVZNCM-ZDUSSCGKSA-N 1 1 421.295 2.637 20 0 HFADMO C[C@@H]1C[N@H+](CCCNC(=O)[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)C[C@H](C)O1 ZINC000792914674 1078024384 /nfs/dbraw/zinc/02/43/84/1078024384.db2.gz SDQNTEXRLBHTDZ-SELNLUPBSA-N 1 1 417.550 2.651 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000792914796 1078024961 /nfs/dbraw/zinc/02/49/61/1078024961.db2.gz SWKWBBYDOHSWOS-IOASZLSFSA-N 1 1 421.847 2.555 20 0 HFADMO CNS(=O)(=O)c1cccc2c1CC[N@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC000792921247 1078026396 /nfs/dbraw/zinc/02/63/96/1078026396.db2.gz IWWZFEUVEMTZPC-INIZCTEOSA-N 1 1 423.579 2.600 20 0 HFADMO CNS(=O)(=O)c1cccc2c1CC[N@@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC000792921247 1078026400 /nfs/dbraw/zinc/02/64/00/1078026400.db2.gz IWWZFEUVEMTZPC-INIZCTEOSA-N 1 1 423.579 2.600 20 0 HFADMO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1c(F)cccc1Br ZINC000792932235 1078028255 /nfs/dbraw/zinc/02/82/55/1078028255.db2.gz OBZIZTTTWGDOCW-UHFFFAOYSA-N 1 1 401.301 2.797 20 0 HFADMO CN1CCN(c2cc(C[NH2+]C3CCN(C(=O)OCc4ccccc4)CC3)ccn2)CC1 ZINC000790463568 1078028317 /nfs/dbraw/zinc/02/83/17/1078028317.db2.gz NJXMFMHPPQFZBJ-UHFFFAOYSA-N 1 1 423.561 2.724 20 0 HFADMO CCOC(=O)CC[N@@H+](Cn1ncc2c1ccc(Br)c2C(=O)OC)C1CC1 ZINC000790440810 1078032109 /nfs/dbraw/zinc/03/21/09/1078032109.db2.gz ZZLUIVPRNTWDNZ-UHFFFAOYSA-N 1 1 424.295 2.961 20 0 HFADMO COC(=O)Nc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000747093850 1078032970 /nfs/dbraw/zinc/03/29/70/1078032970.db2.gz BFOPAHPARJZINV-FXAWDEMLSA-N 1 1 412.490 2.869 20 0 HFADMO COC(=O)C[C@H]1CCC[N@H+]1Cn1ncc2c1ccc(Br)c2C(=O)OC ZINC000790443539 1078033324 /nfs/dbraw/zinc/03/33/24/1078033324.db2.gz XCNAASDNVMGXBF-LLVKDONJSA-N 1 1 410.268 2.570 20 0 HFADMO COC(=O)c1c2cnn(CN3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)c2ccc1Br ZINC000790443657 1078033436 /nfs/dbraw/zinc/03/34/36/1078033436.db2.gz ZYSKRBMLKFATML-BBRMVZONSA-N 1 1 421.339 2.959 20 0 HFADMO COC(=O)c1c2cnn(C[N@H+]3CC[C@@H]([C@H]4CCOC4)C3)c2ccc1Br ZINC000790443409 1078033757 /nfs/dbraw/zinc/03/37/57/1078033757.db2.gz VKEGVVQOZMYBKT-OLZOCXBDSA-N 1 1 408.296 2.901 20 0 HFADMO Fc1ccc(I)c(F)c1CNC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000792967717 1078037828 /nfs/dbraw/zinc/03/78/28/1078037828.db2.gz AOQCFDVOGURYKU-WDEREUQCSA-N 1 1 408.230 2.522 20 0 HFADMO Fc1ccc(I)c(F)c1CNC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000792967714 1078037856 /nfs/dbraw/zinc/03/78/56/1078037856.db2.gz AOQCFDVOGURYKU-GHMZBOCLSA-N 1 1 408.230 2.522 20 0 HFADMO Cc1ccc(NC(=O)C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)nc1Br ZINC000792968200 1078038501 /nfs/dbraw/zinc/03/85/01/1078038501.db2.gz HCDLXJDUEACLKE-GFCCVEGCSA-N 1 1 411.344 2.718 20 0 HFADMO CCOC(=O)c1cc(S(=O)(=O)N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)ccc1F ZINC000790472891 1078039226 /nfs/dbraw/zinc/03/92/26/1078039226.db2.gz NIROGGYSQCATCI-IBGZPJMESA-N 1 1 424.494 2.592 20 0 HFADMO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2cccc(Br)n2)c1 ZINC000792981210 1078039752 /nfs/dbraw/zinc/03/97/52/1078039752.db2.gz DYUOEBOEGVJAFX-UHFFFAOYSA-N 1 1 405.296 2.551 20 0 HFADMO O=C(NC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1)OCc1ccccc1 ZINC000792984994 1078040943 /nfs/dbraw/zinc/04/09/43/1078040943.db2.gz MCPGOEWMJMCYQC-OALUTQOASA-N 1 1 400.523 2.571 20 0 HFADMO C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1 ZINC000792986687 1078040974 /nfs/dbraw/zinc/04/09/74/1078040974.db2.gz BSDNIIQQOUCVJL-UXHICEINSA-N 1 1 402.539 2.676 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@@H](O)C[N@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000792988081 1078041901 /nfs/dbraw/zinc/04/19/01/1078041901.db2.gz WPEOYJXNSSWJGH-IERDGZPVSA-N 1 1 413.559 2.738 20 0 HFADMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N1CC(O)(c2ccc(Cl)cc2)C1 ZINC000806224704 1079508177 /nfs/dbraw/zinc/50/81/77/1079508177.db2.gz QMXNTEPSZTXHKS-UHFFFAOYSA-N 1 1 415.921 2.950 20 0 HFADMO CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000747318780 1079574614 /nfs/dbraw/zinc/57/46/14/1079574614.db2.gz CKASSUWCRFMBOO-LJQANCHMSA-N 1 1 419.566 2.897 20 0 HFADMO CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000747318780 1079574616 /nfs/dbraw/zinc/57/46/16/1079574616.db2.gz CKASSUWCRFMBOO-LJQANCHMSA-N 1 1 419.566 2.897 20 0 HFADMO COC[C@@]1(CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)CCCN1C(=O)OC(C)(C)C ZINC000806295415 1079584418 /nfs/dbraw/zinc/58/44/18/1079584418.db2.gz POPDWXSZSKSIAY-IERDGZPVSA-N 1 1 424.542 2.598 20 0 HFADMO CCCCC[C@H](NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C(C)(C)C ZINC000806320726 1079592525 /nfs/dbraw/zinc/59/25/25/1079592525.db2.gz KLWIORNRPIJIMH-JKWVGCSGSA-N 1 1 420.642 2.867 20 0 HFADMO C[N@H+]1CCCC[C@H]1CCC(=O)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000806324294 1079594737 /nfs/dbraw/zinc/59/47/37/1079594737.db2.gz LZGAZENJIGVCJX-FQEVSTJZSA-N 1 1 420.513 2.778 20 0 HFADMO O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747325464 1079597460 /nfs/dbraw/zinc/59/74/60/1079597460.db2.gz KMMDDIYCEOKLBP-SJLPKXTDSA-N 1 1 421.950 2.897 20 0 HFADMO C[N@@H+]1CCN(C(=O)NCc2ccc(N3CCCC3=O)cc2)C[C@H]1Cc1ccccc1 ZINC000806342812 1079615104 /nfs/dbraw/zinc/61/51/04/1079615104.db2.gz PAQKGWJCJLLALW-JOCHJYFZSA-N 1 1 406.530 2.882 20 0 HFADMO C[N@H+]1CCN(C(=O)NCc2ccc(N3CCCC3=O)cc2)C[C@H]1Cc1ccccc1 ZINC000806342812 1079615109 /nfs/dbraw/zinc/61/51/09/1079615109.db2.gz PAQKGWJCJLLALW-JOCHJYFZSA-N 1 1 406.530 2.882 20 0 HFADMO C[N@@H+]1CCN(C(=O)NCc2ccc(N3CCCC3=O)cc2)C[C@@H]1Cc1ccccc1 ZINC000806342813 1079615153 /nfs/dbraw/zinc/61/51/53/1079615153.db2.gz PAQKGWJCJLLALW-QFIPXVFZSA-N 1 1 406.530 2.882 20 0 HFADMO C[N@H+]1CCN(C(=O)NCc2ccc(N3CCCC3=O)cc2)C[C@@H]1Cc1ccccc1 ZINC000806342813 1079615156 /nfs/dbraw/zinc/61/51/56/1079615156.db2.gz PAQKGWJCJLLALW-QFIPXVFZSA-N 1 1 406.530 2.882 20 0 HFADMO CSc1nc2nc(C)c(CC(=O)N[C@@]3(C)CC[N@@H+](Cc4ccccc4)C3)c(C)n2n1 ZINC001130610503 1079630100 /nfs/dbraw/zinc/63/01/00/1079630100.db2.gz RMLMAJBVPSFRRL-QFIPXVFZSA-N 1 1 424.574 2.786 20 0 HFADMO C[C@@H](C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001130613977 1079641595 /nfs/dbraw/zinc/64/15/95/1079641595.db2.gz NZMUACPKKBASQB-VGOFRKELSA-N 1 1 400.544 2.974 20 0 HFADMO CNC(=O)c1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)nn1 ZINC001130601234 1079643220 /nfs/dbraw/zinc/64/32/20/1079643220.db2.gz OEDUYCOMVBKQFA-IAGOWNOFSA-N 1 1 421.526 2.752 20 0 HFADMO CN1CC[NH+](C(C)(C)CNC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)CC1 ZINC000806361683 1079649025 /nfs/dbraw/zinc/64/90/25/1079649025.db2.gz NOJYQKKVGFCYAM-HSZRJFAPSA-N 1 1 424.589 2.958 20 0 HFADMO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)CCC2 ZINC000806426188 1079671195 /nfs/dbraw/zinc/67/11/95/1079671195.db2.gz YSKLBZICOMLMFC-MJGOQNOKSA-N 1 1 412.559 2.726 20 0 HFADMO CCCNC(=O)OC[C@H]1CCCCN1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000806394209 1079683348 /nfs/dbraw/zinc/68/33/48/1079683348.db2.gz FNFPRFQVDHQMQJ-HXUWFJFHSA-N 1 1 402.539 2.745 20 0 HFADMO COCC[N@H+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)C(C)(C)C1 ZINC001130636063 1079726816 /nfs/dbraw/zinc/72/68/16/1079726816.db2.gz WBMMTDSKJWHPRF-FQEVSTJZSA-N 1 1 415.578 2.725 20 0 HFADMO CC(C)[N@@H+]1CC[C@@H](NC(=O)N=c2ccnc3n(C)[nH]cc2-3)[C@H]1c1ccc(F)c(F)c1 ZINC000806493626 1079745742 /nfs/dbraw/zinc/74/57/42/1079745742.db2.gz ZZGQIPJWPSKWOG-RTBURBONSA-N 1 1 414.460 2.966 20 0 HFADMO CC(C)[N@H+]1CC[C@@H](NC(=O)N=c2ccnc3n(C)[nH]cc2-3)[C@H]1c1ccc(F)c(F)c1 ZINC000806493626 1079745744 /nfs/dbraw/zinc/74/57/44/1079745744.db2.gz ZZGQIPJWPSKWOG-RTBURBONSA-N 1 1 414.460 2.966 20 0 HFADMO C[C@H](O)C[NH+]1CCN(C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000806511175 1079771015 /nfs/dbraw/zinc/77/10/15/1079771015.db2.gz FMYLULIDBKEXLB-SFHVURJKSA-N 1 1 402.583 2.661 20 0 HFADMO Cn1[nH]cc2c(=NC(=O)N3CC[C@@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)ccnc1-2 ZINC000806488258 1079773560 /nfs/dbraw/zinc/77/35/60/1079773560.db2.gz KLGOLMDYGBSQOF-QHCPKHFHSA-N 1 1 404.518 2.862 20 0 HFADMO C[N@@H+]1CCN(C(=O)NCc2nc(Cc3ccccc3)no2)C[C@H]1Cc1ccccc1 ZINC000806547478 1079784961 /nfs/dbraw/zinc/78/49/61/1079784961.db2.gz IMVALDXXIBDNCX-HXUWFJFHSA-N 1 1 405.502 2.729 20 0 HFADMO C[N@H+]1CCN(C(=O)NCc2nc(Cc3ccccc3)no2)C[C@H]1Cc1ccccc1 ZINC000806547478 1079784970 /nfs/dbraw/zinc/78/49/70/1079784970.db2.gz IMVALDXXIBDNCX-HXUWFJFHSA-N 1 1 405.502 2.729 20 0 HFADMO CN(C(=O)C(=O)NCCc1ccc(Cl)nc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000806593124 1079835597 /nfs/dbraw/zinc/83/55/97/1079835597.db2.gz HXNQTVDHONRGJJ-IBGZPJMESA-N 1 1 414.937 2.517 20 0 HFADMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H](C)O1 ZINC000806587798 1079862924 /nfs/dbraw/zinc/86/29/24/1079862924.db2.gz JJPJBFCQLYDLHT-MKXGPGLRSA-N 1 1 409.571 2.734 20 0 HFADMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC000806587796 1079862945 /nfs/dbraw/zinc/86/29/45/1079862945.db2.gz JJPJBFCQLYDLHT-FCGDIQPGSA-N 1 1 409.571 2.734 20 0 HFADMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC000806587796 1079862953 /nfs/dbraw/zinc/86/29/53/1079862953.db2.gz JJPJBFCQLYDLHT-FCGDIQPGSA-N 1 1 409.571 2.734 20 0 HFADMO COC[C@@]1(CNC(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CCCN1C(=O)OC(C)(C)C ZINC000806651353 1079868967 /nfs/dbraw/zinc/86/89/67/1079868967.db2.gz MNUJJIQQISOPBP-IERDGZPVSA-N 1 1 423.558 2.543 20 0 HFADMO CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747341681 1079876094 /nfs/dbraw/zinc/87/60/94/1079876094.db2.gz HDFBJJKFOCUIGA-CVEARBPZSA-N 1 1 409.490 2.865 20 0 HFADMO O=C(COc1ccc2cc(Br)ccc2c1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747340543 1079901233 /nfs/dbraw/zinc/90/12/33/1079901233.db2.gz BCOMGZQLVFYUKV-IEBWSBKVSA-N 1 1 419.319 2.961 20 0 HFADMO COC(=O)c1cc(C(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)ccc1C ZINC001130733346 1079971979 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C[C@]1(CNC(=O)C(=O)NCc2ccc3c(n2)CCCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000807573262 1080785250 /nfs/dbraw/zinc/78/52/50/1080785250.db2.gz ISPLEGJQUOWKOC-RUZDIDTESA-N 1 1 420.557 2.605 20 0 HFADMO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)no1 ZINC000807583081 1080794844 /nfs/dbraw/zinc/79/48/44/1080794844.db2.gz ZBCRLWZSANABRJ-AYBZRNKSSA-N 1 1 416.547 2.907 20 0 HFADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@]1(COC)CCCN1C(=O)OC(C)(C)C ZINC000807552574 1080803061 /nfs/dbraw/zinc/80/30/61/1080803061.db2.gz AQWHXBBLMTXXCG-KGVIQGDOSA-N 1 1 424.586 2.671 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC000807556312 1080806333 /nfs/dbraw/zinc/80/63/33/1080806333.db2.gz OPUCLFLXDZJJDB-KRWDZBQOSA-N 1 1 414.937 2.783 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000807557560 1080811176 /nfs/dbraw/zinc/81/11/76/1080811176.db2.gz CVNCXMVIYIZOOE-UHFFFAOYSA-N 1 1 406.958 2.774 20 0 HFADMO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1nc2ncc(Br)cn2n1 ZINC001460868565 1126193111 /nfs/dbraw/zinc/19/31/11/1126193111.db2.gz LIRWSWMGXRCIDL-INIZCTEOSA-N 1 1 410.703 2.624 20 0 HFADMO O=S(=O)(NC1CC1)c1ccc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC001164630931 719100037 /nfs/dbraw/zinc/10/00/37/719100037.db2.gz XRMXOGHILRJINI-RXVVDRJESA-N 1 1 412.559 2.623 20 0 HFADMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC000508342133 719236535 /nfs/dbraw/zinc/23/65/35/719236535.db2.gz TZOJGURVEMYNPY-HZPDHXFCSA-N 1 1 415.607 2.931 20 0 HFADMO COCCN1CC[N@H+](C)C2(CCN(c3cc(Cl)nc4ccccc43)CC2)C1=O ZINC001164633476 719266755 /nfs/dbraw/zinc/26/67/55/719266755.db2.gz CZBOUIFQHFBFLU-UHFFFAOYSA-N 1 1 402.926 2.648 20 0 HFADMO COCCN1CC[N@@H+](C)C2(CCN(c3cc(Cl)nc4ccccc43)CC2)C1=O ZINC001164633476 719266758 /nfs/dbraw/zinc/26/67/58/719266758.db2.gz CZBOUIFQHFBFLU-UHFFFAOYSA-N 1 1 402.926 2.648 20 0 HFADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)COc1cncc(Cl)n1)CC2 ZINC001164652809 719315400 /nfs/dbraw/zinc/31/54/00/719315400.db2.gz QPZHUCJDCUVSMC-UHFFFAOYSA-N 1 1 414.888 2.999 20 0 HFADMO CCCNC(=O)c1cc(Cl)nc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)n1 ZINC001164654549 719317885 /nfs/dbraw/zinc/31/78/85/719317885.db2.gz RLWNLWIDASQHBH-UHFFFAOYSA-N 1 1 419.961 2.672 20 0 HFADMO COc1cc2c(cc1OCc1ccccc1)ncnc2N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC001164671343 719378939 /nfs/dbraw/zinc/37/89/39/719378939.db2.gz WXMMVZQYHSTSMQ-UGKGYDQZSA-N 1 1 406.486 2.737 20 0 HFADMO C[N@H+]1CCO[C@@H]2CN(c3nc(CN4CCCC4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC001164673765 719444256 /nfs/dbraw/zinc/44/42/56/719444256.db2.gz UEJILIYTPFRYTG-IAGOWNOFSA-N 1 1 413.591 2.685 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncnc3c1ccn3Cc1ccccc1)CC2 ZINC001164683723 719722728 /nfs/dbraw/zinc/72/27/28/719722728.db2.gz DKIZJETWQPJHLS-UHFFFAOYSA-N 1 1 418.545 2.660 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)nc3c1ccn3C(C)C)CC2 ZINC001164684348 719737315 /nfs/dbraw/zinc/73/73/15/719737315.db2.gz GLIJKSNZZIFOOA-UHFFFAOYSA-N 1 1 404.946 2.846 20 0 HFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCCN(c4ncccn4)[C@H]3C2)nc1 ZINC001164692658 719801931 /nfs/dbraw/zinc/80/19/31/719801931.db2.gz OHKDXAITPLZRTE-QHAWAJNXSA-N 1 1 408.550 2.903 20 0 HFADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(C(=O)NC4CC4)nn2)CC3)cs1 ZINC001164691571 719815211 /nfs/dbraw/zinc/81/52/11/719815211.db2.gz HPBFXJJCPOGPDA-UHFFFAOYSA-N 1 1 412.563 2.769 20 0 HFADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(SC)nc2sccc21 ZINC001164704645 719842430 /nfs/dbraw/zinc/84/24/30/719842430.db2.gz SERXAAODTPQIBO-YJYMSZOUSA-N 1 1 422.576 2.646 20 0 HFADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2sc(C)c(C)c21 ZINC001164698656 719843380 /nfs/dbraw/zinc/84/33/80/719843380.db2.gz GPTRYTOWMMBCFC-MGPUTAFESA-N 1 1 404.536 2.541 20 0 HFADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2sc(C)cc21 ZINC001164705292 719848716 /nfs/dbraw/zinc/84/87/16/719848716.db2.gz USMKKTRSKQOXIC-ORAYPTAESA-N 1 1 424.954 2.886 20 0 HFADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c(F)cccc21 ZINC001164707012 719851932 /nfs/dbraw/zinc/85/19/32/719851932.db2.gz ZVPQRIZFJVHGAI-ZUOKHONESA-N 1 1 422.888 2.655 20 0 HFADMO CC[C@H](C)c1nc2[nH]ccc2c(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164702191 719880660 /nfs/dbraw/zinc/88/06/60/719880660.db2.gz OUUPCDSFVGYMMG-PONJGIIJSA-N 1 1 415.538 2.704 20 0 HFADMO Cc1noc([C@@]23COC[C@H]2CN(c2ccc4c(n2)CC[N@H+](Cc2ccccc2)C4)C3)n1 ZINC001164807748 720055667 /nfs/dbraw/zinc/05/56/67/720055667.db2.gz WRURMDWTGFKGBY-YKSBVNFPSA-N 1 1 417.513 2.736 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc3ccc(C(=O)OC)cc3n1)C2 ZINC001164815710 720081862 /nfs/dbraw/zinc/08/18/62/720081862.db2.gz ZERJTXFCXAYCAJ-CVDCTZTESA-N 1 1 410.518 2.601 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(C(=O)OC)ccc31)C2 ZINC001164806327 720082148 /nfs/dbraw/zinc/08/21/48/720082148.db2.gz BNWTWCYKRZUHBS-FDDCHVKYSA-N 1 1 410.518 2.601 20 0 HFADMO CCOC(=O)c1cc2cccnc2nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001164809998 720114271 /nfs/dbraw/zinc/11/42/71/720114271.db2.gz JCOJWWNAFHJRAW-NTKDMRAZSA-N 1 1 424.545 2.991 20 0 HFADMO CCOC(=O)c1cc2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)[nH]c-2n1 ZINC001164813882 720143756 /nfs/dbraw/zinc/14/37/56/720143756.db2.gz RLGGUZYAOLIWJU-FDDCHVKYSA-N 1 1 412.534 2.924 20 0 HFADMO CCOC(=O)c1cc2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COC)nc2[nH]1 ZINC001164813882 720143758 /nfs/dbraw/zinc/14/37/58/720143758.db2.gz RLGGUZYAOLIWJU-FDDCHVKYSA-N 1 1 412.534 2.924 20 0 HFADMO CCOC(=O)c1cc2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)nc2[nH]1 ZINC001164813882 720143761 /nfs/dbraw/zinc/14/37/61/720143761.db2.gz RLGGUZYAOLIWJU-FDDCHVKYSA-N 1 1 412.534 2.924 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(C(=O)NC(C)(C)C)ccn1)C2 ZINC001164813801 720148167 /nfs/dbraw/zinc/14/81/67/720148167.db2.gz QQUKIWYVOUAEEA-WMZHIEFXSA-N 1 1 400.567 2.795 20 0 HFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN([C@H](F)Oc1ccnc(Cl)c1)CCC2 ZINC001164812850 720218004 /nfs/dbraw/zinc/21/80/04/720218004.db2.gz JPNOVZGBLRFSFZ-IBGZPJMESA-N 1 1 409.893 2.670 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4cc(Cl)ccc4n3)C2)C1 ZINC001164716428 720219803 /nfs/dbraw/zinc/21/98/03/720219803.db2.gz COWYRALEUHXTNO-OAQYLSRUSA-N 1 1 402.926 2.553 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc4cc(Cl)ccc4n3)C2)C1 ZINC001164716428 720219818 /nfs/dbraw/zinc/21/98/18/720219818.db2.gz COWYRALEUHXTNO-OAQYLSRUSA-N 1 1 402.926 2.553 20 0 HFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nnc(Cl)c3ccoc31)CCC2 ZINC001164813815 720228954 /nfs/dbraw/zinc/22/89/54/720228954.db2.gz PMECAIOULSAGCK-UHFFFAOYSA-N 1 1 402.886 2.683 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4ccc(C)cc43)C2)C1 ZINC001164718681 720235375 /nfs/dbraw/zinc/23/53/75/720235375.db2.gz GTXYVOFJLBYCET-QFIPXVFZSA-N 1 1 416.953 2.861 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4ccc(C)cc43)C2)C1 ZINC001164718681 720235391 /nfs/dbraw/zinc/23/53/91/720235391.db2.gz GTXYVOFJLBYCET-QFIPXVFZSA-N 1 1 416.953 2.861 20 0 HFADMO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(Cl)nc3[nH]cnc32)CC1 ZINC001164824553 720314172 /nfs/dbraw/zinc/31/41/72/720314172.db2.gz RMASWPOCXNXHQR-LSDHHAIUSA-N 1 1 402.930 2.523 20 0 HFADMO c1ccc2nc(N3CCOCC3)c(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc2c1 ZINC001164721752 720379093 /nfs/dbraw/zinc/37/90/93/720379093.db2.gz AYOWSRYMMGXTMA-FCHUYYIVSA-N 1 1 416.529 2.715 20 0 HFADMO CN(C)c1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164724239 720400541 /nfs/dbraw/zinc/40/05/41/720400541.db2.gz IMZYFTOZZZDQJU-UXHICEINSA-N 1 1 401.518 2.853 20 0 HFADMO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164735750 720426682 /nfs/dbraw/zinc/42/66/82/720426682.db2.gz YNCUDKGPQUCRMM-JKSUJKDBSA-N 1 1 407.852 2.627 20 0 HFADMO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164735750 720426683 /nfs/dbraw/zinc/42/66/83/720426683.db2.gz YNCUDKGPQUCRMM-JKSUJKDBSA-N 1 1 407.852 2.627 20 0 HFADMO CN(C)c1cc(C(F)(F)N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc(Cl)n1 ZINC001164726345 720473666 /nfs/dbraw/zinc/47/36/66/720473666.db2.gz LJSHZHSTWBNFLJ-CABCVRRESA-N 1 1 408.884 2.989 20 0 HFADMO CN(C)c1cc(C(F)(F)N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc(Cl)n1 ZINC001164726345 720473671 /nfs/dbraw/zinc/47/36/71/720473671.db2.gz LJSHZHSTWBNFLJ-CABCVRRESA-N 1 1 408.884 2.989 20 0 HFADMO Cc1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C(N)=O ZINC001164839403 720510863 /nfs/dbraw/zinc/51/08/63/720510863.db2.gz UAYJFAYQDWFLSK-GVDBMIGSSA-N 1 1 416.957 2.717 20 0 HFADMO CCOC(=O)c1cc(F)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164834954 720518228 /nfs/dbraw/zinc/51/82/28/720518228.db2.gz IQEVTEOWVWKUGZ-YVWKXTFCSA-N 1 1 415.513 2.972 20 0 HFADMO CSc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164832799 720524172 /nfs/dbraw/zinc/52/41/72/720524172.db2.gz BKNVRJMFMVCRLV-RRFJBIMHSA-N 1 1 407.975 2.821 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4c3COC4)CC[C@@H]21 ZINC001164835242 720524874 /nfs/dbraw/zinc/52/48/74/720524874.db2.gz JFCNAZYOJYJQJL-VKJFTORMSA-N 1 1 402.930 2.735 20 0 HFADMO CCOC(=O)c1cc(C)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164838413 720525007 /nfs/dbraw/zinc/52/50/07/720525007.db2.gz QTHQMNBEXKVNHP-QWFCFKBJSA-N 1 1 412.538 2.536 20 0 HFADMO COCc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(SC)n1 ZINC001164842913 720540400 /nfs/dbraw/zinc/54/04/00/720540400.db2.gz YVCXVVBLCKAONU-NZSAHSFTSA-N 1 1 416.595 2.919 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(C(=O)NC4CC4)cn3)CC[C@@H]21 ZINC001164836766 720554835 /nfs/dbraw/zinc/55/48/35/720554835.db2.gz KWZTVEHPLNRMJC-GIVPXCGWSA-N 1 1 408.550 2.548 20 0 HFADMO CC(C)n1cnc2cnc(N3CC[C@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc21 ZINC001164837225 720607303 /nfs/dbraw/zinc/60/73/03/720607303.db2.gz HRGKTIIXEKXQEJ-HBFSDRIKSA-N 1 1 408.554 2.982 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(C(N)=O)cc4ccccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842214 720615863 /nfs/dbraw/zinc/61/58/63/720615863.db2.gz UQFOKAWQCCKYCH-CNNODRBYSA-N 1 1 418.545 2.908 20 0 HFADMO COc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc2c1ccn2C ZINC001164843585 720641032 /nfs/dbraw/zinc/64/10/32/720641032.db2.gz YIWLWPLBFAHHCM-YQVWRLOYSA-N 1 1 409.538 2.551 20 0 HFADMO Fc1cccc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164738998 720667574 /nfs/dbraw/zinc/66/75/74/720667574.db2.gz LWMCPIZPCJNOPM-STQMWFEESA-N 1 1 400.845 2.554 20 0 HFADMO c1[nH]c2ccccc2c1-c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164736692 720689012 /nfs/dbraw/zinc/68/90/12/720689012.db2.gz ALDQGKIZRJHVBH-SJORKVTESA-N 1 1 413.485 2.757 20 0 HFADMO CCOC(=O)c1nccnc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164845331 720690287 /nfs/dbraw/zinc/69/02/87/720690287.db2.gz YHWWWEQCLNGALO-LJQANCHMSA-N 1 1 410.518 2.913 20 0 HFADMO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742164 720743811 /nfs/dbraw/zinc/74/38/11/720743811.db2.gz NPQXETIAGURUAG-KBPBESRZSA-N 1 1 420.851 2.893 20 0 HFADMO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742164 720743819 /nfs/dbraw/zinc/74/38/19/720743819.db2.gz NPQXETIAGURUAG-KBPBESRZSA-N 1 1 420.851 2.893 20 0 HFADMO c1ccc(CSc2ccnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164746700 720797365 /nfs/dbraw/zinc/79/73/65/720797365.db2.gz MQJYXACDJXPHPZ-RBUKOAKNSA-N 1 1 420.542 2.901 20 0 HFADMO FC(F)(N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164740887 720804988 /nfs/dbraw/zinc/80/49/88/720804988.db2.gz AQNPXEBPPQJNHW-HZPDHXFCSA-N 1 1 421.879 2.987 20 0 HFADMO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1NC(C)C ZINC001164741353 720808050 /nfs/dbraw/zinc/80/80/50/720808050.db2.gz BBDKKKHJGGEDQR-XUVXKRRUSA-N 1 1 410.570 2.576 20 0 HFADMO CCOC(=O)c1ccc(C)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164749793 720808622 /nfs/dbraw/zinc/80/86/22/720808622.db2.gz UOGNWOKMOPAPEB-IRFCIJBXSA-N 1 1 424.549 2.538 20 0 HFADMO FC(F)(c1cc(Cl)ncn1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748268 720808717 /nfs/dbraw/zinc/80/87/17/720808717.db2.gz QFOGFWFBJYYLQA-BZUAXINKSA-N 1 1 423.899 2.646 20 0 HFADMO Cc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1C ZINC001164745975 720808862 /nfs/dbraw/zinc/80/88/62/720808862.db2.gz LASKTHTUQCBCJA-RCCFBDPRSA-N 1 1 401.946 2.718 20 0 HFADMO Clc1cnc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748713 720812864 /nfs/dbraw/zinc/81/28/64/720812864.db2.gz RBUAZIIROLQEEL-SQWLQELKSA-N 1 1 408.337 2.754 20 0 HFADMO FC(F)(c1nccc(Cl)n1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164752078 720814676 /nfs/dbraw/zinc/81/46/76/720814676.db2.gz YNZLTLHWRPDLSC-OWCLPIDISA-N 1 1 423.899 2.646 20 0 HFADMO COc1cc(Cl)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748333 720815008 /nfs/dbraw/zinc/81/50/08/720815008.db2.gz QTDMQZUQPYXKSQ-BPQIPLTHSA-N 1 1 402.930 2.715 20 0 HFADMO CCOC(=O)c1cc(C)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164746900 720817275 /nfs/dbraw/zinc/81/72/75/720817275.db2.gz ZLBNGSHHVUVNEL-IRFCIJBXSA-N 1 1 424.549 2.538 20 0 HFADMO Fc1cccc2c1ncnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744111 720825173 /nfs/dbraw/zinc/82/51/73/720825173.db2.gz UFOZGCJJKCGVEA-ABSDTBQOSA-N 1 1 407.497 2.740 20 0 HFADMO Clc1cnc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164743340 720825552 /nfs/dbraw/zinc/82/55/52/720825552.db2.gz SHESNRRYKJANID-RRFJBIMHSA-N 1 1 408.337 2.754 20 0 HFADMO Cc1nc(Cl)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1C ZINC001164737430 720829383 /nfs/dbraw/zinc/82/93/83/720829383.db2.gz BCCCVJVGIVHEMB-FGTMMUONSA-N 1 1 401.946 2.718 20 0 HFADMO COc1cccc2cnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc21 ZINC001164739232 720830829 /nfs/dbraw/zinc/83/08/29/720830829.db2.gz HVVYTLQHMYMCDE-VAMGGRTRSA-N 1 1 419.533 2.609 20 0 HFADMO COc1ccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ncc2c1 ZINC001164742084 720831365 /nfs/dbraw/zinc/83/13/65/720831365.db2.gz PRVRBNSQPJTESM-WOIUINJBSA-N 1 1 419.533 2.609 20 0 HFADMO Fc1cccc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164749402 720832750 /nfs/dbraw/zinc/83/27/50/720832750.db2.gz VTQLIFZSEYGIGP-FUHIMQAGSA-N 1 1 407.497 2.740 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)n3)CC[C@@H]2C1 ZINC001164855895 720834725 /nfs/dbraw/zinc/83/47/25/720834725.db2.gz VKCHKIOOPGFWRD-NEPJUHHUSA-N 1 1 411.280 2.502 20 0 HFADMO Clc1nnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2occc21 ZINC001164742956 720838089 /nfs/dbraw/zinc/83/80/89/720838089.db2.gz HOURRFZODSEZNF-YQQAZPJKSA-N 1 1 413.913 2.847 20 0 HFADMO FC(F)(c1cncc(Cl)n1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748729 720840987 /nfs/dbraw/zinc/84/09/87/720840987.db2.gz URZHLFODMGZQKB-HRCADAONSA-N 1 1 423.899 2.646 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nccnc3C3SCCCS3)CC[C@H]2C1 ZINC001164857095 720847069 /nfs/dbraw/zinc/84/70/69/720847069.db2.gz XHUQBFDRPYPXIO-HOTGVXAUSA-N 1 1 410.609 2.519 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nccc(-c4c[nH]c5ccccc54)n3)CC[C@H]2C1 ZINC001164857478 720852712 /nfs/dbraw/zinc/85/27/12/720852712.db2.gz QYYAEBQWGJMJOF-HTAPYJJXSA-N 1 1 407.518 2.798 20 0 HFADMO C[C@@H]1CCc2nnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc2C1 ZINC001164744598 720855647 /nfs/dbraw/zinc/85/56/47/720855647.db2.gz BXHNMKGDZCURLB-ALOBAPJISA-N 1 1 407.566 2.572 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(C)nc4sc5c(c43)CCC5)CC[C@@H]2C1 ZINC001164864972 720874124 /nfs/dbraw/zinc/87/41/24/720874124.db2.gz XOEDGYDCHAJDFL-WBVHZDCISA-N 1 1 402.564 2.662 20 0 HFADMO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c12 ZINC001164859826 720938804 /nfs/dbraw/zinc/93/88/04/720938804.db2.gz NUOPJGHSGBOHJS-AWEZNQCLSA-N 1 1 411.510 2.753 20 0 HFADMO CCOC(=O)c1ncnc(Cl)c1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164858080 720993538 /nfs/dbraw/zinc/99/35/38/720993538.db2.gz GRUKYHSGFVEFSZ-CYBMUJFWSA-N 1 1 406.918 2.925 20 0 HFADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1CN(C)CC3)[C@H]2C ZINC001164863878 721019422 /nfs/dbraw/zinc/01/94/22/721019422.db2.gz VKALNNVGNOEWHJ-AWEZNQCLSA-N 1 1 403.962 2.736 20 0 HFADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)cc(O[C@@H]3CCOC3)n1)[C@@H]2C ZINC001164859554 721020483 /nfs/dbraw/zinc/02/04/83/721020483.db2.gz JEXZKDXFQCIPSP-GDBMZVCRSA-N 1 1 420.945 2.916 20 0 HFADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)cc(O[C@@H]3CCOC3)n1)[C@H]2C ZINC001164859556 721020547 /nfs/dbraw/zinc/02/05/47/721020547.db2.gz JEXZKDXFQCIPSP-GOEBONIOSA-N 1 1 420.945 2.916 20 0 HFADMO COc1cc(C(F)(F)N2CCc3[nH+]cc(Cn4cccn4)n3CC2)cc(Cl)n1 ZINC001164864345 721031625 /nfs/dbraw/zinc/03/16/25/721031625.db2.gz YPRZHOUXHMKSQO-UHFFFAOYSA-N 1 1 408.840 2.793 20 0 HFADMO CCOC(=O)c1cnc(Cl)cc1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164773491 721073535 /nfs/dbraw/zinc/07/35/35/721073535.db2.gz XJMRZGPHBCQVPV-CVEARBPZSA-N 1 1 403.914 2.604 20 0 HFADMO CSc1nc2c(c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n1)CCCC2 ZINC001164865688 721081685 /nfs/dbraw/zinc/08/16/85/721081685.db2.gz OHJXBGZDEBHIJD-ROUUACIJSA-N 1 1 411.575 2.952 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncccc4C(=O)NC4CCCCC4)C[C@H]3C2)cn1 ZINC001164761072 721083431 /nfs/dbraw/zinc/08/34/31/721083431.db2.gz AOILROVWJLRRHZ-WOJBJXKFSA-N 1 1 422.577 2.836 20 0 HFADMO Nc1cc(Cl)nc(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164866009 721102481 /nfs/dbraw/zinc/10/24/81/721102481.db2.gz RADXAHJNYAUUOS-JKSUJKDBSA-N 1 1 409.868 2.737 20 0 HFADMO CCCN(CCC)c1cncc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865150 721116521 /nfs/dbraw/zinc/11/65/21/721116521.db2.gz IUAANEQOIUDHFB-LEWJYISDSA-N 1 1 410.566 2.978 20 0 HFADMO c1ccc(COc2cnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)cn2)cc1 ZINC001164863717 721120298 /nfs/dbraw/zinc/12/02/98/721120298.db2.gz DALKTZPPZICYGZ-FCHUYYIVSA-N 1 1 417.513 2.930 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)COc4ccnc(Cl)c4)C[C@H]3C2)cn1 ZINC001164769181 721123651 /nfs/dbraw/zinc/12/36/51/721123651.db2.gz PRFWRWWXQUXJST-JKSUJKDBSA-N 1 1 411.884 2.894 20 0 HFADMO CCOC(=O)c1cnc2cc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)[nH]cc1-2 ZINC001164881196 721134847 /nfs/dbraw/zinc/13/48/47/721134847.db2.gz ZRHPQBHNGZBFIN-QZTJIDSGSA-N 1 1 421.501 2.614 20 0 HFADMO COc1ccc2nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c(C)nc2c1 ZINC001164880456 721161044 /nfs/dbraw/zinc/16/10/44/721161044.db2.gz WTTDJFYPSNXOEF-QUCCMNQESA-N 1 1 405.502 2.822 20 0 HFADMO COc1cccc(-c2ccnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)n2)c1 ZINC001164773826 721168563 /nfs/dbraw/zinc/16/85/63/721168563.db2.gz XIVVKWLFHOQMST-PMACEKPBSA-N 1 1 404.518 2.844 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc5c(n4)-c4ccccc4CC5)C[C@@H]3C2)cn1 ZINC001164772911 721178844 /nfs/dbraw/zinc/17/88/44/721178844.db2.gz VZLVFLLFQLXQTQ-SFTDATJTSA-N 1 1 400.530 2.934 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc5c(n4)-c4ccccc4CC5)C[C@H]3C2)cn1 ZINC001164772908 721179047 /nfs/dbraw/zinc/17/90/47/721179047.db2.gz VZLVFLLFQLXQTQ-NHCUHLMSSA-N 1 1 400.530 2.934 20 0 HFADMO COc1cc(OC)c2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164868742 721188315 /nfs/dbraw/zinc/18/83/15/721188315.db2.gz NOWDVFSZWSROHH-HKUYNNGSSA-N 1 1 421.501 2.522 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)C[C@H]3C2)cn1 ZINC001164766220 721230935 /nfs/dbraw/zinc/23/09/35/721230935.db2.gz SZDKMCBRVXITPL-RTBURBONSA-N 1 1 405.506 2.701 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc(C(N)=S)c5ccsc54)C[C@H]3C2)cn1 ZINC001164769741 721245041 /nfs/dbraw/zinc/24/50/41/721245041.db2.gz ZMABCSGZNPCXIK-HUUCEWRRSA-N 1 1 412.588 2.622 20 0 HFADMO CN(C)C1=NOC2(C1)CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164874583 721326099 /nfs/dbraw/zinc/32/60/99/721326099.db2.gz CCVMOIGDNHXWOB-UHFFFAOYSA-N 1 1 406.534 2.669 20 0 HFADMO CN(C)C1=NOC2(C1)CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164874583 721326103 /nfs/dbraw/zinc/32/61/03/721326103.db2.gz CCVMOIGDNHXWOB-UHFFFAOYSA-N 1 1 406.534 2.669 20 0 HFADMO CN(C)C1=[NH+]OC2(C1)CCN([C@](F)(COc1cncc(Cl)n1)C(F)F)CC2 ZINC001164873919 721327116 /nfs/dbraw/zinc/32/71/16/721327116.db2.gz DUPIUCUWHSORLU-MRXNPFEDSA-N 1 1 407.824 2.570 20 0 HFADMO O=C(NCC1CC1)[C@]12CCO[C@H]1CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164887494 721342558 /nfs/dbraw/zinc/34/25/58/721342558.db2.gz UYSCGDVLENRGST-AVRDEDQJSA-N 1 1 418.969 2.842 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc4cccnc4n3)C2)C1 ZINC001164780043 721346270 /nfs/dbraw/zinc/34/62/70/721346270.db2.gz YWEGQFOGUXYZPI-QFIPXVFZSA-N 1 1 408.506 2.749 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cnc4cccnc4n3)C2)C1 ZINC001164780043 721346272 /nfs/dbraw/zinc/34/62/72/721346272.db2.gz YWEGQFOGUXYZPI-QFIPXVFZSA-N 1 1 408.506 2.749 20 0 HFADMO COc1cc(OC)nc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164779755 721349362 /nfs/dbraw/zinc/34/93/62/721349362.db2.gz VRUGSXROOMWGNU-JOCHJYFZSA-N 1 1 416.522 2.823 20 0 HFADMO COc1cc(OC)nc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164779755 721349365 /nfs/dbraw/zinc/34/93/65/721349365.db2.gz VRUGSXROOMWGNU-JOCHJYFZSA-N 1 1 416.522 2.823 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(OC(F)F)cn3)C2)C1 ZINC001164780235 721355904 /nfs/dbraw/zinc/35/59/04/721355904.db2.gz DLFSDJFBIFHCKG-FQEVSTJZSA-N 1 1 423.464 2.802 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(OC(F)F)cn3)C2)C1 ZINC001164780235 721355907 /nfs/dbraw/zinc/35/59/07/721355907.db2.gz DLFSDJFBIFHCKG-FQEVSTJZSA-N 1 1 423.464 2.802 20 0 HFADMO CC(C)(C)OC(=O)Nc1cc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)ncn1 ZINC001164790731 721397775 /nfs/dbraw/zinc/39/77/75/721397775.db2.gz XQZGARRLHUWEBY-KBPBESRZSA-N 1 1 402.524 2.848 20 0 HFADMO CCOc1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164889906 721409018 /nfs/dbraw/zinc/40/90/18/721409018.db2.gz RVOVGLWRUZTXLG-DYESRHJHSA-N 1 1 408.974 2.899 20 0 HFADMO Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(-c2ccncc2)n1 ZINC001164896112 721432112 /nfs/dbraw/zinc/43/21/12/721432112.db2.gz QNGVIJNYBBHLAT-XUZZJYLKSA-N 1 1 422.577 2.612 20 0 HFADMO COC(=O)c1nc(Cl)c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c(Cl)n1 ZINC001164785773 721437961 /nfs/dbraw/zinc/43/79/61/721437961.db2.gz OFOBXYLIFDAWLP-AOOOYVTPSA-N 1 1 414.318 2.595 20 0 HFADMO COC(=O)c1nc(Cl)c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c(Cl)n1 ZINC001164785773 721437963 /nfs/dbraw/zinc/43/79/63/721437963.db2.gz OFOBXYLIFDAWLP-AOOOYVTPSA-N 1 1 414.318 2.595 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(-c5cccs5)ncn4)C3)O2)CC1 ZINC001164896694 721438036 /nfs/dbraw/zinc/43/80/36/721438036.db2.gz RTTUZHSMSMEGCJ-GCJKJVERSA-N 1 1 413.591 2.971 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccnc(Cc5ccccc5)n4)C3)O2)CC1 ZINC001164889568 721440241 /nfs/dbraw/zinc/44/02/41/721440241.db2.gz BTWLBYRHHRUGCV-DHLKQENFSA-N 1 1 421.589 2.833 20 0 HFADMO CC(C)Sc1ccc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nn1 ZINC001164888799 721442256 /nfs/dbraw/zinc/44/22/56/721442256.db2.gz AZQHIUPEWDSHOD-NQIIRXRSSA-N 1 1 405.612 2.743 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C(=O)OC)ccn1)CC2 ZINC001164786918 721450724 /nfs/dbraw/zinc/45/07/24/721450724.db2.gz ORSYKAPXQSFWRG-FQEVSTJZSA-N 1 1 417.550 2.602 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3ncccc31)CC2 ZINC001164785997 721453320 /nfs/dbraw/zinc/45/33/20/721453320.db2.gz LQFVIMGIFOFURD-IBGZPJMESA-N 1 1 411.550 2.759 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3ncsc3n1)CC2 ZINC001164786848 721462588 /nfs/dbraw/zinc/46/25/88/721462588.db2.gz PVXMZKRDIDKGGT-KRWDZBQOSA-N 1 1 417.579 2.820 20 0 HFADMO O=C(C[C@@]12COC[C@@H]1CN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2)NCC1CC1 ZINC001164893886 721482738 /nfs/dbraw/zinc/48/27/38/721482738.db2.gz FNJGNMFXCJLRQQ-PGRDOPGGSA-N 1 1 418.969 2.700 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3COC[C@]3(CC(=O)NCC3CC3)C2)nc1 ZINC001164894316 721484672 /nfs/dbraw/zinc/48/46/72/721484672.db2.gz HHBOKVJNVTZUDA-IMSXRSKXSA-N 1 1 412.578 2.998 20 0 HFADMO CON(C)C(=O)c1cccnc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164796263 721498579 /nfs/dbraw/zinc/49/85/79/721498579.db2.gz OWTQHJBCAXPMOR-UHFFFAOYSA-N 1 1 409.534 2.991 20 0 HFADMO O=C(c1cccnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1)N1CCCC1 ZINC001164900322 721509237 /nfs/dbraw/zinc/50/92/37/721509237.db2.gz QDORNYYDWAHWKU-ICSRJNTNSA-N 1 1 410.493 2.799 20 0 HFADMO Cc1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1C(N)=O ZINC001164897695 721513146 /nfs/dbraw/zinc/51/31/46/721513146.db2.gz GIAZXEMXAXJRKS-HOCLYGCPSA-N 1 1 404.873 2.623 20 0 HFADMO COc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1NC(C)C ZINC001164795421 721524126 /nfs/dbraw/zinc/52/41/26/721524126.db2.gz OWSAGGYISCJPPS-HBFSDRIKSA-N 1 1 412.538 2.569 20 0 HFADMO COc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1NC(C)C ZINC001164795421 721524127 /nfs/dbraw/zinc/52/41/27/721524127.db2.gz OWSAGGYISCJPPS-HBFSDRIKSA-N 1 1 412.538 2.569 20 0 HFADMO Cc1nc2nc(Cl)nc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2[nH]1 ZINC001164900304 721525115 /nfs/dbraw/zinc/52/51/15/721525115.db2.gz PZPADVBJMMMMPU-DZGCQCFKSA-N 1 1 402.861 2.796 20 0 HFADMO CC(C)(C)C(=O)Nc1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1 ZINC001164912347 721533082 /nfs/dbraw/zinc/53/30/82/721533082.db2.gz YZUWCPSIEGBXOX-AEFFLSMTSA-N 1 1 413.497 2.942 20 0 HFADMO CCOC(=O)c1cc(C)cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164805988 721537507 /nfs/dbraw/zinc/53/75/07/721537507.db2.gz NEFJPCKNPBBXTM-RZUBCFFCSA-N 1 1 410.518 2.830 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cccnc32)[C@@H]2CCCO[C@H]12 ZINC001164805968 721539226 /nfs/dbraw/zinc/53/92/26/721539226.db2.gz NCFSGXGIPWIPPU-LMMKCTJWSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cccnc32)[C@@H]2CCCO[C@H]12 ZINC001164805968 721539228 /nfs/dbraw/zinc/53/92/28/721539228.db2.gz NCFSGXGIPWIPPU-LMMKCTJWSA-N 1 1 410.909 2.941 20 0 HFADMO CC(C)c1nc(N(C)C)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164911532 721541398 /nfs/dbraw/zinc/54/13/98/721541398.db2.gz XCOTXHYAYHONDB-AEFFLSMTSA-N 1 1 400.502 2.542 20 0 HFADMO COCc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(SC)n1 ZINC001164805328 721551428 /nfs/dbraw/zinc/55/14/28/721551428.db2.gz LRRXJBMWTZLSDQ-CMKODMSKSA-N 1 1 415.563 2.608 20 0 HFADMO COCc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(SC)n1 ZINC001164805328 721551433 /nfs/dbraw/zinc/55/14/33/721551433.db2.gz LRRXJBMWTZLSDQ-CMKODMSKSA-N 1 1 415.563 2.608 20 0 HFADMO COc1c(Cl)nc(C)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164806789 721554081 /nfs/dbraw/zinc/55/40/81/721554081.db2.gz RSVDQFZVNKMOJV-IXDOHACOSA-N 1 1 403.914 2.710 20 0 HFADMO COc1c(Cl)nc(C)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164806789 721554085 /nfs/dbraw/zinc/55/40/85/721554085.db2.gz RSVDQFZVNKMOJV-IXDOHACOSA-N 1 1 403.914 2.710 20 0 HFADMO COC(=O)c1ccc(Cl)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164800846 721558860 /nfs/dbraw/zinc/55/88/60/721558860.db2.gz FQVOBVMCFHGYMT-GBESFXJTSA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1ccc(Cl)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164800846 721558864 /nfs/dbraw/zinc/55/88/64/721558864.db2.gz FQVOBVMCFHGYMT-GBESFXJTSA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1cc2c[nH]c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)cc-2n1 ZINC001164809422 721571690 /nfs/dbraw/zinc/57/16/90/721571690.db2.gz XETMFEDXMCQLPF-RZUBCFFCSA-N 1 1 421.501 2.613 20 0 HFADMO CCOCc1cnc(Cl)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164809357 721572343 /nfs/dbraw/zinc/57/23/43/721572343.db2.gz WNAMEVSBJNQCCC-GBESFXJTSA-N 1 1 417.941 2.930 20 0 HFADMO CCOCc1cnc(Cl)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164809357 721572345 /nfs/dbraw/zinc/57/23/45/721572345.db2.gz WNAMEVSBJNQCCC-GBESFXJTSA-N 1 1 417.941 2.930 20 0 HFADMO Cc1noc(-c2ccnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2)n1 ZINC001164809547 721580977 /nfs/dbraw/zinc/58/09/77/721580977.db2.gz TVFTWCMSSCKVEQ-IRFCIJBXSA-N 1 1 406.490 2.703 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccccn3)ncn2)[C@@H]2CCCO[C@H]12 ZINC001164806150 721581010 /nfs/dbraw/zinc/58/10/10/721581010.db2.gz MBUMKELIKHPRKB-XPNTWCBSSA-N 1 1 402.502 2.802 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccccn3)ncn2)[C@@H]2CCCO[C@H]12 ZINC001164806150 721581012 /nfs/dbraw/zinc/58/10/12/721581012.db2.gz MBUMKELIKHPRKB-XPNTWCBSSA-N 1 1 402.502 2.802 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN([C@H](F)Oc2cncc(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164803413 721587987 /nfs/dbraw/zinc/58/79/87/721587987.db2.gz HZGUEJQVVUDRQT-SFUIVIKGSA-N 1 1 407.877 2.521 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN([C@H](F)Oc2cncc(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164803413 721587989 /nfs/dbraw/zinc/58/79/89/721587989.db2.gz HZGUEJQVVUDRQT-SFUIVIKGSA-N 1 1 407.877 2.521 20 0 HFADMO COC(=O)c1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1N ZINC001164907415 721697330 /nfs/dbraw/zinc/69/73/30/721697330.db2.gz SJZVRWBTVBXDEE-HXUWFJFHSA-N 1 1 417.460 2.583 20 0 HFADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3C[C@H](OCC4CC4)[C@H]4COC[C@@H]43)C2)cc1 ZINC001165013808 721761455 /nfs/dbraw/zinc/76/14/55/721761455.db2.gz AMNLOXNKJLLEJM-PMVMPFDFSA-N 1 1 406.530 2.665 20 0 HFADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3C[C@H](OCC4CC4)[C@H]4COC[C@@H]43)C2)cc1 ZINC001165013808 721761459 /nfs/dbraw/zinc/76/14/59/721761459.db2.gz AMNLOXNKJLLEJM-PMVMPFDFSA-N 1 1 406.530 2.665 20 0 HFADMO CCc1cc2c(ccnc2N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)o1 ZINC001164913259 721800332 /nfs/dbraw/zinc/80/03/32/721800332.db2.gz CHAVAVQHSFBXRN-QHCPKHFHSA-N 1 1 408.502 2.893 20 0 HFADMO CCc1cc2c(ccnc2N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)o1 ZINC001164913259 721800334 /nfs/dbraw/zinc/80/03/34/721800334.db2.gz CHAVAVQHSFBXRN-QHCPKHFHSA-N 1 1 408.502 2.893 20 0 HFADMO COC(=O)c1c[n-]c2nc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165022615 721816407 /nfs/dbraw/zinc/81/64/07/721816407.db2.gz GDRUXGCTHCELCX-KFKAGJAMSA-N 1 1 420.517 2.876 20 0 HFADMO COC(=O)c1c[nH]c2ncnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165022615 721816412 /nfs/dbraw/zinc/81/64/12/721816412.db2.gz GDRUXGCTHCELCX-KFKAGJAMSA-N 1 1 420.517 2.876 20 0 HFADMO COC(=O)c1c[nH]c2ncnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165022615 721816413 /nfs/dbraw/zinc/81/64/13/721816413.db2.gz GDRUXGCTHCELCX-KFKAGJAMSA-N 1 1 420.517 2.876 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3C(C)(C)C(=O)N4)C[C@H]21 ZINC001165023936 721821749 /nfs/dbraw/zinc/82/17/49/721821749.db2.gz IVGSLLCXTYYOKJ-KBAYOESNSA-N 1 1 406.534 2.838 20 0 HFADMO C[NH+]1CCC(Oc2ccnc(N3C[C@H]4COC[C@]4(COCc4ccccn4)C3)c2)CC1 ZINC001164923231 721840627 /nfs/dbraw/zinc/84/06/27/721840627.db2.gz UGIUVURHFUYCBA-CYFREDJKSA-N 1 1 424.545 2.619 20 0 HFADMO COc1cc2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4CCN(C)C)c2cc1OC ZINC001164925754 721858413 /nfs/dbraw/zinc/85/84/13/721858413.db2.gz FXLVXZFDSDZYMU-CVEARBPZSA-N 1 1 405.930 2.515 20 0 HFADMO COc1cc2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)c2cc1OC ZINC001164925754 721858414 /nfs/dbraw/zinc/85/84/14/721858414.db2.gz FXLVXZFDSDZYMU-CVEARBPZSA-N 1 1 405.930 2.515 20 0 HFADMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)ncc1OCc1ccccc1 ZINC001164926573 721865188 /nfs/dbraw/zinc/86/51/88/721865188.db2.gz RWRDYJVPGYIHFO-ROUUACIJSA-N 1 1 401.942 2.924 20 0 HFADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)ncc1OCc1ccccc1 ZINC001164926573 721865191 /nfs/dbraw/zinc/86/51/91/721865191.db2.gz RWRDYJVPGYIHFO-ROUUACIJSA-N 1 1 401.942 2.924 20 0 HFADMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc(Oc2cccc(F)c2)n1 ZINC001164927973 721871015 /nfs/dbraw/zinc/87/10/15/721871015.db2.gz XQJJXJNLFUAKPJ-CVEARBPZSA-N 1 1 406.893 2.671 20 0 HFADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc(Oc2cccc(F)c2)n1 ZINC001164927973 721871017 /nfs/dbraw/zinc/87/10/17/721871017.db2.gz XQJJXJNLFUAKPJ-CVEARBPZSA-N 1 1 406.893 2.671 20 0 HFADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165042407 721926721 /nfs/dbraw/zinc/92/67/21/721926721.db2.gz DBAKESFKUUNNPS-LLVKDONJSA-N 1 1 403.886 2.672 20 0 HFADMO Cc1nc2sccc2c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164944230 721968822 /nfs/dbraw/zinc/96/88/22/721968822.db2.gz HTNYDDRYIAKTAC-UHFFFAOYSA-N 1 1 407.543 2.971 20 0 HFADMO Cc1nc2sccc2c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164944230 721968824 /nfs/dbraw/zinc/96/88/24/721968824.db2.gz HTNYDDRYIAKTAC-UHFFFAOYSA-N 1 1 407.543 2.971 20 0 HFADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(Cl)nc3nc[nH]c31)CC2 ZINC001164945733 721973332 /nfs/dbraw/zinc/97/33/32/721973332.db2.gz RHDGDIOECQASPL-UHFFFAOYSA-N 1 1 410.909 2.582 20 0 HFADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(Cl)nc3nc[nH]c31)CC2 ZINC001164945733 721973334 /nfs/dbraw/zinc/97/33/34/721973334.db2.gz RHDGDIOECQASPL-UHFFFAOYSA-N 1 1 410.909 2.582 20 0 HFADMO O=C(NCc1ccccc1)c1cccnc1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165054428 722009448 /nfs/dbraw/zinc/00/94/48/722009448.db2.gz XXMMGBAQYXCZIJ-UHFFFAOYSA-N 1 1 401.514 2.771 20 0 HFADMO NC(=O)c1cc(F)c(Cl)nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164952920 722015319 /nfs/dbraw/zinc/01/53/19/722015319.db2.gz OWTPYNLFDAYRMP-UHFFFAOYSA-N 1 1 403.889 2.861 20 0 HFADMO COc1nc(Cl)cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164958704 722052365 /nfs/dbraw/zinc/05/23/65/722052365.db2.gz FHSZLAJKTDLUGV-UHFFFAOYSA-N 1 1 403.914 2.653 20 0 HFADMO CCOC(=O)c1cccnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164961148 722052415 /nfs/dbraw/zinc/05/24/15/722052415.db2.gz SCKFEIVTGCRVLO-UHFFFAOYSA-N 1 1 410.518 2.772 20 0 HFADMO F[C@@H](Oc1cncc(Cl)n1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164966301 722061406 /nfs/dbraw/zinc/06/14/06/722061406.db2.gz QFTLIGZZLGYVTJ-LJQANCHMSA-N 1 1 421.904 2.772 20 0 HFADMO Clc1nc(Cl)c2nc(Cl)nc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c2n1 ZINC001164967070 722069927 /nfs/dbraw/zinc/06/99/27/722069927.db2.gz GYIHRKZQMQXIPI-AOOOYVTPSA-N 1 1 415.712 2.679 20 0 HFADMO Fc1c[nH]c2nc(Cl)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164985144 722100359 /nfs/dbraw/zinc/10/03/59/722100359.db2.gz UZGXIQHWZSNECX-ZBFHGGJFSA-N 1 1 416.888 2.873 20 0 HFADMO CSc1nc(Cl)cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977205 722100704 /nfs/dbraw/zinc/10/07/04/722100704.db2.gz FBCNYVLHVSKFNZ-CVEARBPZSA-N 1 1 405.955 2.974 20 0 HFADMO COC(=O)c1c(Cl)ccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984744 722102707 /nfs/dbraw/zinc/10/27/07/722102707.db2.gz UKTGVCLERJOSST-SJLPKXTDSA-N 1 1 416.909 2.644 20 0 HFADMO COc1cccc2c1ncnc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164985184 722106140 /nfs/dbraw/zinc/10/61/40/722106140.db2.gz VGQFSGKPAWTERB-RXVVDRJESA-N 1 1 405.502 2.761 20 0 HFADMO F[C@H](Oc1ccnc(Cl)c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976308 722108363 /nfs/dbraw/zinc/10/83/63/722108363.db2.gz LENXIFHATMFBTC-KPFFTGBYSA-N 1 1 406.889 2.985 20 0 HFADMO Clc1nc2cnccc2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979274 722109130 /nfs/dbraw/zinc/10/91/30/722109130.db2.gz PRFXMGAIRQYLNR-VQIMIIECSA-N 1 1 410.909 2.801 20 0 HFADMO CC1(C)OC(=O)c2c1ccnc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981149 722111411 /nfs/dbraw/zinc/11/14/11/722111411.db2.gz TXIJHIOKGMIJKR-IEBWSBKVSA-N 1 1 408.502 2.609 20 0 HFADMO CSc1cnc(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971913 722121316 /nfs/dbraw/zinc/12/13/16/722121316.db2.gz DMYYLVMEFJDACW-JKSUJKDBSA-N 1 1 405.955 2.974 20 0 HFADMO Clc1cnc2c(c1)ncnc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981987 722125632 /nfs/dbraw/zinc/12/56/32/722125632.db2.gz VLIBYTVZXMBPNS-VQIMIIECSA-N 1 1 410.909 2.801 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4cncc(N5CCCCC5)n4)CC[C@H]3C2)c1 ZINC001164980928 722131880 /nfs/dbraw/zinc/13/18/80/722131880.db2.gz NTRHIARKFIAGTM-SFTDATJTSA-N 1 1 408.550 2.589 20 0 HFADMO Nc1cc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cnc1Cl ZINC001164977084 722136903 /nfs/dbraw/zinc/13/69/03/722136903.db2.gz IRGFRKYUHYXBRT-MAUKXSAKSA-N 1 1 423.895 2.984 20 0 HFADMO Cc1noc(-c2ccnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2)n1 ZINC001164982674 722144580 /nfs/dbraw/zinc/14/45/80/722144580.db2.gz RYCDOIQDYDIRNZ-UXHICEINSA-N 1 1 406.490 2.562 20 0 HFADMO Cc1noc(-c2ccnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)n1 ZINC001164982678 722145221 /nfs/dbraw/zinc/14/52/21/722145221.db2.gz RYCDOIQDYDIRNZ-VQTJNVASSA-N 1 1 406.490 2.562 20 0 HFADMO c1ccc(-c2cc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)ncn2)nc1 ZINC001164980907 722145251 /nfs/dbraw/zinc/14/52/51/722145251.db2.gz NQCZVJLXBRZLPR-DENIHFKCSA-N 1 1 402.502 2.661 20 0 HFADMO Cc1nc(-c2ccncc2)cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984214 722146896 /nfs/dbraw/zinc/14/68/96/722146896.db2.gz WLDCBTKMNKCRPI-JTHBVZDNSA-N 1 1 416.529 2.969 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4ccc(-c5ccncc5)nn4)CC[C@H]3C2)c1 ZINC001164972544 722147992 /nfs/dbraw/zinc/14/79/92/722147992.db2.gz ABIUBDYOBKOPAU-UNMCSNQZSA-N 1 1 402.502 2.661 20 0 HFADMO C[NH+]1CCN(c2nccc(N3CCC[C@]4(C[C@H](OCC5CCCC5)CO4)C3)n2)CC1 ZINC001164979107 722166354 /nfs/dbraw/zinc/16/63/54/722166354.db2.gz UHAFISBBOILDMU-REWPJTCUSA-N 1 1 415.582 2.563 20 0 HFADMO C[C@@H]1C(=O)Nc2cnc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc2N1C ZINC001164995984 722200360 /nfs/dbraw/zinc/20/03/60/722200360.db2.gz RBCJPGPJCYDADY-QRQCRPRQSA-N 1 1 410.497 2.637 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000790541165 1078047506 /nfs/dbraw/zinc/04/75/06/1078047506.db2.gz ZWOVODXLFVSBKR-WBVHZDCISA-N 1 1 411.930 2.564 20 0 HFADMO C[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[C@H]4[C@@](CN(Cc5ccc(Cl)cc5)S4(=O)=O)(C2)O3)C1 ZINC001170139442 1078051669 /nfs/dbraw/zinc/05/16/69/1078051669.db2.gz VAMRXPFWHMENFW-CKMGUBGDSA-N 1 1 410.967 2.886 20 0 HFADMO Cn1ccnc1[C@@](O)(C[NH2+]Cc1cnn(Cc2ccccc2)c1Cl)C(F)(F)F ZINC000790534867 1078053033 /nfs/dbraw/zinc/05/30/33/1078053033.db2.gz WJJKKNQAYLLNSF-KRWDZBQOSA-N 1 1 413.831 2.858 20 0 HFADMO C[C@@H]1C[C@H](NC(=O)N(CCO)Cc2cccnc2Cl)C[N@H+]1Cc1ccccc1 ZINC000793093631 1078067542 /nfs/dbraw/zinc/06/75/42/1078067542.db2.gz SZBDGQYGJSDHPJ-APWZRJJASA-N 1 1 402.926 2.902 20 0 HFADMO C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3nccn3CC(F)(F)F)cc2)C1=O ZINC000790607616 1078074109 /nfs/dbraw/zinc/07/41/09/1078074109.db2.gz FQCVXYRJTRMXEQ-LJQANCHMSA-N 1 1 421.423 2.960 20 0 HFADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3cnn(CCO)c3-c3ccccc3)cc2)CC1 ZINC000793103766 1078078141 /nfs/dbraw/zinc/07/81/41/1078078141.db2.gz UUSLKWMZZYJFSE-UHFFFAOYSA-N 1 1 419.529 2.937 20 0 HFADMO C[N@@H+]1CCN(C(=O)C(=O)Nc2ccnn2C2CCCCC2)C[C@@H]1Cc1ccccc1 ZINC000793107881 1078079933 /nfs/dbraw/zinc/07/99/33/1078079933.db2.gz FEXVWAAWZKXAAC-FQEVSTJZSA-N 1 1 409.534 2.712 20 0 HFADMO C[N@H+]1CCN(C(=O)C(=O)Nc2ccnn2C2CCCCC2)C[C@@H]1Cc1ccccc1 ZINC000793107881 1078079936 /nfs/dbraw/zinc/07/99/36/1078079936.db2.gz FEXVWAAWZKXAAC-FQEVSTJZSA-N 1 1 409.534 2.712 20 0 HFADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N(CCO)Cc1cccnc1Cl ZINC000793153502 1078091714 /nfs/dbraw/zinc/09/17/14/1078091714.db2.gz KDFWXEPFFODHNU-QFBILLFUSA-N 1 1 402.926 2.759 20 0 HFADMO O[C@@H](c1ncc[nH]1)C1CC[NH+](Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000793191938 1078097197 /nfs/dbraw/zinc/09/71/97/1078097197.db2.gz NBBPPDPGLRQIRI-MRXNPFEDSA-N 1 1 408.296 2.889 20 0 HFADMO COCC1(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCN(C(=O)OC(C)(C)C)CC1 ZINC000790710755 1078103737 /nfs/dbraw/zinc/10/37/37/1078103737.db2.gz XVCKEVUSHGAJLV-ROUUACIJSA-N 1 1 424.586 2.576 20 0 HFADMO COCC1(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCN(C(=O)OC(C)(C)C)CC1 ZINC000790710759 1078103777 /nfs/dbraw/zinc/10/37/77/1078103777.db2.gz XVCKEVUSHGAJLV-ZWKOTPCHSA-N 1 1 424.586 2.576 20 0 HFADMO Cc1cc(CNC(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)cc(N2CCCC2)[nH+]1 ZINC000793212074 1078107771 /nfs/dbraw/zinc/10/77/71/1078107771.db2.gz UCWFUPADBUHYCC-SREVYHEPSA-N 1 1 420.517 2.939 20 0 HFADMO CC(C)[N@H+]1CC[C@H](CNC(=O)N2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)C1 ZINC000790770243 1078113394 /nfs/dbraw/zinc/11/33/94/1078113394.db2.gz PWPRSGAEXRXRDW-IKGGRYGDSA-N 1 1 400.539 2.706 20 0 HFADMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1nc(Br)ccc1Br ZINC000790768559 1078114333 /nfs/dbraw/zinc/11/43/33/1078114333.db2.gz VJVQFLURCSUTEN-KWQFWETISA-N 1 1 403.118 2.819 20 0 HFADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1CC(c2cccnc2)=NO1 ZINC000790817432 1078153661 /nfs/dbraw/zinc/15/36/61/1078153661.db2.gz HQTRLFBXNMAWGW-DENIHFKCSA-N 1 1 408.502 2.793 20 0 HFADMO Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000793359767 1078147227 /nfs/dbraw/zinc/14/72/27/1078147227.db2.gz XEGKJTIXOTXYAO-INIZCTEOSA-N 1 1 418.538 2.659 20 0 HFADMO COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CC(c4cccnc4)=NO3)CC[N@H+]2C2CC2)c1 ZINC000790857415 1078152503 /nfs/dbraw/zinc/15/25/03/1078152503.db2.gz OSKKGONOTHPVJV-BAGYTPMASA-N 1 1 406.486 2.677 20 0 HFADMO COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CC(c4cccnc4)=NO3)CC[N@H+]2C2CC2)c1 ZINC000790857417 1078152579 /nfs/dbraw/zinc/15/25/79/1078152579.db2.gz OSKKGONOTHPVJV-CEMLEFRQSA-N 1 1 406.486 2.677 20 0 HFADMO COc1ccc([C@@H]2C[C@H]2NC(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793374271 1078152912 /nfs/dbraw/zinc/15/29/12/1078152912.db2.gz LZIOHWNHUZGBNQ-WMTXJRDZSA-N 1 1 409.530 2.830 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000793413805 1078160150 /nfs/dbraw/zinc/16/01/50/1078160150.db2.gz MXSFLXTXEXACCR-UHFFFAOYSA-N 1 1 424.586 2.696 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000793413805 1078160151 /nfs/dbraw/zinc/16/01/51/1078160151.db2.gz MXSFLXTXEXACCR-UHFFFAOYSA-N 1 1 424.586 2.696 20 0 HFADMO O=C(NCC(F)(F)F)C1CC[NH+](CN2CC[C@H](CCc3ccccc3)C2=O)CC1 ZINC000793483478 1078189635 /nfs/dbraw/zinc/18/96/35/1078189635.db2.gz LIIUERMQGONELR-SFHVURJKSA-N 1 1 411.468 2.816 20 0 HFADMO CC(C)[NH+]1CCN(C2CCN(CN3CC[C@H](CCc4ccccc4)C3=O)CC2)CC1 ZINC000793510420 1078194788 /nfs/dbraw/zinc/19/47/88/1078194788.db2.gz BURXSNJSUNBBCW-QHCPKHFHSA-N 1 1 412.622 2.916 20 0 HFADMO C[N@@H+]1CCN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)C[C@H]1Cc1ccccc1 ZINC000793503787 1078204680 /nfs/dbraw/zinc/20/46/80/1078204680.db2.gz GMCPHBCETCRYCP-GOSISDBHSA-N 1 1 422.497 2.611 20 0 HFADMO C[N@H+]1CCN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)C[C@H]1Cc1ccccc1 ZINC000793503787 1078204682 /nfs/dbraw/zinc/20/46/82/1078204682.db2.gz GMCPHBCETCRYCP-GOSISDBHSA-N 1 1 422.497 2.611 20 0 HFADMO CCOC(=O)C1C(C[NH2+][C@@H]2CCC[C@H]2OC)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001170434307 1078212749 /nfs/dbraw/zinc/21/27/49/1078212749.db2.gz GLLWPOFIPNTPBJ-KYJSFNMBSA-N 1 1 407.898 2.668 20 0 HFADMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c(Br)c1 ZINC000793587589 1078215956 /nfs/dbraw/zinc/21/59/56/1078215956.db2.gz HVSITLBLTQRGEG-NVXWUHKLSA-N 1 1 422.323 2.915 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CN2C[C@@H](c3cccc(OC)c3)CC2=O)C1 ZINC000793597458 1078219828 /nfs/dbraw/zinc/21/98/28/1078219828.db2.gz LKGVBSBLGLTYGQ-CYFREDJKSA-N 1 1 408.498 2.785 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CN2C[C@@H](c3cccc(OC)c3)CC2=O)C1 ZINC000793597458 1078219831 /nfs/dbraw/zinc/21/98/31/1078219831.db2.gz LKGVBSBLGLTYGQ-CYFREDJKSA-N 1 1 408.498 2.785 20 0 HFADMO C[N@@H+]1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793605104 1078222646 /nfs/dbraw/zinc/22/26/46/1078222646.db2.gz VBSVVEUFYSYRLC-HXUWFJFHSA-N 1 1 417.529 2.711 20 0 HFADMO C[N@H+]1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793605104 1078222648 /nfs/dbraw/zinc/22/26/48/1078222648.db2.gz VBSVVEUFYSYRLC-HXUWFJFHSA-N 1 1 417.529 2.711 20 0 HFADMO COCCN(C)c1ccc(C[N@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cn1 ZINC000793605945 1078223153 /nfs/dbraw/zinc/22/31/53/1078223153.db2.gz SPXLCCUIXBFYLG-JOCHJYFZSA-N 1 1 404.555 2.997 20 0 HFADMO COC(=O)c1ccccc1CC1CC[NH+](CN2C(=O)N[C@@H](CC(C)C)C2=O)CC1 ZINC000793607626 1078224331 /nfs/dbraw/zinc/22/43/31/1078224331.db2.gz RUCJFOZRWVNSSO-IBGZPJMESA-N 1 1 401.507 2.652 20 0 HFADMO C[NH+]1CCC(CNC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)(N2CCCCC2)CC1 ZINC000793573880 1078225743 /nfs/dbraw/zinc/22/57/43/1078225743.db2.gz BJJHZDPAFBAZSP-SFHVURJKSA-N 1 1 422.614 2.698 20 0 HFADMO COC(=O)[C@]1(NC(=O)C[C@@H]2CCC[C@H](OC)C2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000793638074 1078237250 /nfs/dbraw/zinc/23/72/50/1078237250.db2.gz VSBZPUGOPYWHQS-QTEQDKRBSA-N 1 1 402.535 2.906 20 0 HFADMO Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000793660629 1078243454 /nfs/dbraw/zinc/24/34/54/1078243454.db2.gz XIBJDUKCTSINPJ-UHFFFAOYSA-N 1 1 418.538 2.578 20 0 HFADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCc2ccn(-c3ccccc3)n2)C1 ZINC000793668663 1078246501 /nfs/dbraw/zinc/24/65/01/1078246501.db2.gz YXCSMJYQGUHORH-PMACEKPBSA-N 1 1 423.561 2.602 20 0 HFADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NCc2ccn(-c3ccccc3)n2)C1 ZINC000793668668 1078246531 /nfs/dbraw/zinc/24/65/31/1078246531.db2.gz YXCSMJYQGUHORH-WOJBJXKFSA-N 1 1 423.561 2.602 20 0 HFADMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000793685811 1078256035 /nfs/dbraw/zinc/25/60/35/1078256035.db2.gz CZVLFNNIPFBBET-AYWYSENESA-N 1 1 422.529 2.521 20 0 HFADMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)C1 ZINC000793685819 1078256060 /nfs/dbraw/zinc/25/60/60/1078256060.db2.gz CZVLFNNIPFBBET-CWJKEVGVSA-N 1 1 422.529 2.521 20 0 HFADMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)C1 ZINC000793687634 1078256818 /nfs/dbraw/zinc/25/68/18/1078256818.db2.gz PIRBIPGAEURXMC-HOCLYGCPSA-N 1 1 408.568 2.767 20 0 HFADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(=O)NCc2ccc([C@H](C)O)cc2)cc1 ZINC000793656034 1078258610 /nfs/dbraw/zinc/25/86/10/1078258610.db2.gz WSVVIHFDOQIPSN-HOTGVXAUSA-N 1 1 406.486 2.728 20 0 HFADMO Cc1ccc([C@@H](CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)N(C)C)cc1 ZINC000793718743 1078264546 /nfs/dbraw/zinc/26/45/46/1078264546.db2.gz KDDNXMCBNXZDSW-LZBANZJXSA-N 1 1 414.594 2.627 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C[C@](C)(c4ccccn4)CC3=O)CC[C@H]21 ZINC000793725338 1078266813 /nfs/dbraw/zinc/26/68/13/1078266813.db2.gz VHFSXUCSOYQKEH-PMAPCBKXSA-N 1 1 414.550 2.860 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C[C@](C)(c4ccccn4)CC3=O)CC[C@H]21 ZINC000793725338 1078266814 /nfs/dbraw/zinc/26/68/14/1078266814.db2.gz VHFSXUCSOYQKEH-PMAPCBKXSA-N 1 1 414.550 2.860 20 0 HFADMO C[C@@H](COc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000793694657 1078271208 /nfs/dbraw/zinc/27/12/08/1078271208.db2.gz MJFSSGJVWOESJO-PZJWPPBQSA-N 1 1 409.530 2.693 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000793694640 1078271357 /nfs/dbraw/zinc/27/13/57/1078271357.db2.gz MJFSSGJVWOESJO-CTNGQTDRSA-N 1 1 409.530 2.693 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000793697867 1078272434 /nfs/dbraw/zinc/27/24/34/1078272434.db2.gz RZKUVOLWBJYARJ-SFHLNBCPSA-N 1 1 409.530 2.739 20 0 HFADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H](C)COc1ccccc1 ZINC000793700874 1078273760 /nfs/dbraw/zinc/27/37/60/1078273760.db2.gz MNQSNRKLPXKBMY-IFMALSPDSA-N 1 1 423.557 2.941 20 0 HFADMO C[N@H+]1CC[C@]2(CCN(CN3C(=O)N[C@](C)(c4ccc(Cl)c(Cl)c4)C3=O)C2)C1 ZINC000793763222 1078281459 /nfs/dbraw/zinc/28/14/59/1078281459.db2.gz DKIPNUVAGSOWTD-MOPGFXCFSA-N 1 1 411.333 2.746 20 0 HFADMO COc1cc(-c2nn(CN3CC[C@]4(CC[N@@H+](C)C4)C3)c(=S)o2)cc(OC)c1OC ZINC000793766326 1078282259 /nfs/dbraw/zinc/28/22/59/1078282259.db2.gz KORZLNYDGPIUIS-FQEVSTJZSA-N 1 1 420.535 2.883 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H](C)COc2ccc(C)cc2)cc1F ZINC000793766221 1078282530 /nfs/dbraw/zinc/28/25/30/1078282530.db2.gz CJVLMTPKKBWOHA-INIZCTEOSA-N 1 1 424.476 2.828 20 0 HFADMO CCCn1c2nn(CN3CC[C@@]4(CC[N@@H+](C)C4)C3)c(=S)n2c2ccccc2c1=O ZINC000793746094 1078289029 /nfs/dbraw/zinc/28/90/29/1078289029.db2.gz PWFMKWOXOOVMDU-OAQYLSRUSA-N 1 1 412.563 2.575 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(Cc1ccccc1F)C1CC1 ZINC000793804494 1078303861 /nfs/dbraw/zinc/30/38/61/1078303861.db2.gz DNVAKZFAFWLNHV-UHFFFAOYSA-N 1 1 407.449 2.522 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@H](C)C[C@H]1c1ccccc1F ZINC000793803878 1078304198 /nfs/dbraw/zinc/30/41/98/1078304198.db2.gz BGHQFFACXIKWLN-QRWLVFNGSA-N 1 1 421.476 2.941 20 0 HFADMO CCC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000793805718 1078305185 /nfs/dbraw/zinc/30/51/85/1078305185.db2.gz JHVQNMBLDBWJBY-FQEVSTJZSA-N 1 1 405.502 2.720 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCCC[C@@H]1Cc1ccccc1 ZINC000793807295 1078305542 /nfs/dbraw/zinc/30/55/42/1078305542.db2.gz XLRMEFGTYDBMPO-OAQYLSRUSA-N 1 1 417.513 2.816 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1C ZINC000793806930 1078305760 /nfs/dbraw/zinc/30/57/60/1078305760.db2.gz VZZLGTYHEFIZCA-YWZLYKJASA-N 1 1 403.486 2.632 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NCCCCCc1ccccc1 ZINC000793806858 1078305995 /nfs/dbraw/zinc/30/59/95/1078305995.db2.gz NADDOTQBNQHFIE-UHFFFAOYSA-N 1 1 405.502 2.721 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000793776572 1078308991 /nfs/dbraw/zinc/30/89/91/1078308991.db2.gz CIEIZGXTLLEXMF-PWRODBHTSA-N 1 1 415.578 2.992 20 0 HFADMO C[N@@H+](Cc1ccccc1CNC(=O)C(=O)NCCOC1CCC1)C1CCCCC1 ZINC000793838318 1078310865 /nfs/dbraw/zinc/31/08/65/1078310865.db2.gz RVAPMGISUXBWOQ-UHFFFAOYSA-N 1 1 401.551 2.753 20 0 HFADMO Cc1c[nH+]cn1C1CCN(C(=O)C(F)(F)c2ccccc2OCC(=O)N(C)C)CC1 ZINC000793848321 1078313861 /nfs/dbraw/zinc/31/38/61/1078313861.db2.gz DFSYFYWOTDSJCO-UHFFFAOYSA-N 1 1 420.460 2.614 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000793811545 1078314318 /nfs/dbraw/zinc/31/43/18/1078314318.db2.gz XPFGURHBZBKTNN-VLIAUNLRSA-N 1 1 421.476 2.771 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@H](c2ccccc2C)C1 ZINC000793810922 1078314594 /nfs/dbraw/zinc/31/45/94/1078314594.db2.gz WANVORIKFKJABH-IBGZPJMESA-N 1 1 403.486 2.516 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000793812044 1078314830 /nfs/dbraw/zinc/31/48/30/1078314830.db2.gz ZLFXNPMFNJORBR-AXUYNXDZSA-N 1 1 415.497 2.896 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000793811608 1078315103 /nfs/dbraw/zinc/31/51/03/1078315103.db2.gz YGWWJDTVDNMBDI-TZIWHRDSSA-N 1 1 417.513 2.720 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H](C)Cc1ccc(C)cc1C ZINC000793811717 1078315287 /nfs/dbraw/zinc/31/52/87/1078315287.db2.gz YVTWDDZYNJBGCL-KRWDZBQOSA-N 1 1 405.502 2.556 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001170437860 1078319209 /nfs/dbraw/zinc/31/92/09/1078319209.db2.gz QKNSYPFGXFYJST-XWQURZDVSA-N 1 1 400.519 2.838 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCCC3)[C@@H]2C1 ZINC001170437839 1078319239 /nfs/dbraw/zinc/31/92/39/1078319239.db2.gz PZQNKNSWTVRLDI-NCYKPQTJSA-N 1 1 414.546 2.943 20 0 HFADMO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000793863605 1078326570 /nfs/dbraw/zinc/32/65/70/1078326570.db2.gz IYJNXBJEVDPPOU-ZIFCJYIRSA-N 1 1 415.559 2.639 20 0 HFADMO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000793863605 1078326575 /nfs/dbraw/zinc/32/65/75/1078326575.db2.gz IYJNXBJEVDPPOU-ZIFCJYIRSA-N 1 1 415.559 2.639 20 0 HFADMO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CCCc3nc(C)sc32)c1 ZINC000793863202 1078326855 /nfs/dbraw/zinc/32/68/55/1078326855.db2.gz CRPTWPRDFWSLOU-SFHVURJKSA-N 1 1 400.548 2.713 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@H](C)C1 ZINC000793872289 1078329601 /nfs/dbraw/zinc/32/96/01/1078329601.db2.gz KIBNFIYQXVOEAM-CMKODMSKSA-N 1 1 419.566 2.946 20 0 HFADMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(-c3ccccc3Br)n2C)[C@H](C)C1 ZINC000793876584 1078331539 /nfs/dbraw/zinc/33/15/39/1078331539.db2.gz YCKLYINXMZLEEF-HUUCEWRRSA-N 1 1 420.351 2.982 20 0 HFADMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(-c3ccccc3Br)n2C)[C@H](C)C1 ZINC000793876584 1078331542 /nfs/dbraw/zinc/33/15/42/1078331542.db2.gz YCKLYINXMZLEEF-HUUCEWRRSA-N 1 1 420.351 2.982 20 0 HFADMO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)CCC2 ZINC000793911386 1078335735 /nfs/dbraw/zinc/33/57/35/1078335735.db2.gz BBAWYBKTHODBLZ-VBQJREDUSA-N 1 1 406.596 2.818 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000793886141 1078342768 /nfs/dbraw/zinc/34/27/68/1078342768.db2.gz IABLKVNUNCSWPW-BBRMVZONSA-N 1 1 416.526 2.598 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000793950364 1078345038 /nfs/dbraw/zinc/34/50/38/1078345038.db2.gz YOMCOLZBQLSIGZ-SFHVURJKSA-N 1 1 420.517 2.683 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000793950359 1078345069 /nfs/dbraw/zinc/34/50/69/1078345069.db2.gz YOMCOLZBQLSIGZ-GOSISDBHSA-N 1 1 420.517 2.683 20 0 HFADMO Cn1cc[nH+]c1N1CCC(NC(=O)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000793954412 1078346516 /nfs/dbraw/zinc/34/65/16/1078346516.db2.gz ZLPVSPIPAYTUPY-MRXNPFEDSA-N 1 1 405.543 2.542 20 0 HFADMO C[C@@H](CC(=O)OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1ccccc1 ZINC000793957591 1078347382 /nfs/dbraw/zinc/34/73/82/1078347382.db2.gz CWPANGBEYPIBLG-IBGZPJMESA-N 1 1 402.535 2.875 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21 ZINC001170440300 1078347926 /nfs/dbraw/zinc/34/79/26/1078347926.db2.gz CMFVEFJANLZIKR-XCJLJZCSSA-N 1 1 400.519 2.981 20 0 HFADMO C[C@@H]1C[N@@H+](CCCNC(=O)[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)CCCO1 ZINC000793965875 1078348885 /nfs/dbraw/zinc/34/88/85/1078348885.db2.gz ISKIAEZLQGDNTN-XXBNENTESA-N 1 1 417.550 2.652 20 0 HFADMO COc1ccc([C@@H]2C[C@H]2NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000794160085 1078378924 /nfs/dbraw/zinc/37/89/24/1078378924.db2.gz AOFXDJLAXJBHHL-RBUKOAKNSA-N 1 1 403.523 2.610 20 0 HFADMO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000804373502 1078438068 /nfs/dbraw/zinc/43/80/68/1078438068.db2.gz UNQSTLSEWYBUHG-AYOQOUSVSA-N 1 1 416.541 2.661 20 0 HFADMO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000804373502 1078438072 /nfs/dbraw/zinc/43/80/72/1078438072.db2.gz UNQSTLSEWYBUHG-AYOQOUSVSA-N 1 1 416.541 2.661 20 0 HFADMO COc1ccc(C[NH+]2CCN(C)CC2)cc1NC1CCN(CC(F)(F)F)CC1 ZINC001170447591 1078449806 /nfs/dbraw/zinc/44/98/06/1078449806.db2.gz GBGXZEJNQIKJPI-UHFFFAOYSA-N 1 1 400.489 2.881 20 0 HFADMO C[C@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)CCCC[NH+]2CCOCC2)C1 ZINC000804664814 1078474687 /nfs/dbraw/zinc/47/46/87/1078474687.db2.gz PBLNMZWZFBEYKM-VQTJNVASSA-N 1 1 409.571 2.739 20 0 HFADMO CC(=O)c1ccc(N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c(S(N)(=O)=O)c1 ZINC000804432287 1078476408 /nfs/dbraw/zinc/47/64/08/1078476408.db2.gz XWXJHQWSNCREJO-UHFFFAOYSA-N 1 1 401.532 2.637 20 0 HFADMO CC(=O)c1ccc(N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c(S(N)(=O)=O)c1 ZINC000804432287 1078476411 /nfs/dbraw/zinc/47/64/11/1078476411.db2.gz XWXJHQWSNCREJO-UHFFFAOYSA-N 1 1 401.532 2.637 20 0 HFADMO C[N@H+](Cc1cccc(OCc2ccccn2)c1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC001170450740 1078479553 /nfs/dbraw/zinc/47/95/53/1078479553.db2.gz GNOABAZWQFZSON-IBGZPJMESA-N 1 1 401.507 2.978 20 0 HFADMO c1cncc(OCCNc2nc(NCCOc3cccnc3)c3c([nH+]2)CCS3)c1 ZINC000804460373 1078501024 /nfs/dbraw/zinc/50/10/24/1078501024.db2.gz PZJJEPMEBCDQAB-UHFFFAOYSA-N 1 1 410.503 2.897 20 0 HFADMO O=C(N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)C(F)(F)c1nccs1 ZINC000804448137 1078514229 /nfs/dbraw/zinc/51/42/29/1078514229.db2.gz LTCMLBDPGUCGMV-QGZVFWFLSA-N 1 1 406.502 2.654 20 0 HFADMO O=C(C1=NO[C@@H](c2ccccc2)C1)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804446219 1078512324 /nfs/dbraw/zinc/51/23/24/1078512324.db2.gz BAFYWZKJXUQEBQ-ISKFKSNPSA-N 1 1 418.541 2.923 20 0 HFADMO O=C([C@H](O)c1ccccc1Cl)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804447365 1078514141 /nfs/dbraw/zinc/51/41/41/1078514141.db2.gz CZKLVWSCESVXQV-SIKLNZKXSA-N 1 1 413.949 2.792 20 0 HFADMO O=C(C[C@H](O)c1cccc(F)c1)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804448953 1078516377 /nfs/dbraw/zinc/51/63/77/1078516377.db2.gz SDYJKJXMLQSNMA-PKTZIBPZSA-N 1 1 411.521 2.668 20 0 HFADMO O=C(C[C@H](O)c1cccc(F)c1)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804448951 1078516408 /nfs/dbraw/zinc/51/64/08/1078516408.db2.gz SDYJKJXMLQSNMA-GOTSBHOMSA-N 1 1 411.521 2.668 20 0 HFADMO COc1ccc([C@@H]2[C@H](C(=O)N3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC(=O)N2C)cc1 ZINC001129827567 1078521286 /nfs/dbraw/zinc/52/12/86/1078521286.db2.gz BADNUIIDHPATEQ-KUWBRRTOSA-N 1 1 421.541 2.948 20 0 HFADMO COc1ccc([C@@H]2[C@H](C(=O)N3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC(=O)N2C)cc1 ZINC001129827567 1078521290 /nfs/dbraw/zinc/52/12/90/1078521290.db2.gz BADNUIIDHPATEQ-KUWBRRTOSA-N 1 1 421.541 2.948 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC001129828119 1078522308 /nfs/dbraw/zinc/52/23/08/1078522308.db2.gz FNYITAPDWQUNIR-HXOBKFHXSA-N 1 1 423.513 2.930 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC001129828119 1078522311 /nfs/dbraw/zinc/52/23/11/1078522311.db2.gz FNYITAPDWQUNIR-HXOBKFHXSA-N 1 1 423.513 2.930 20 0 HFADMO C[C@H](C(=O)NCC1([NH+]2CCOCC2)CCOCC1)c1cccc(Br)c1 ZINC001129556386 1078546808 /nfs/dbraw/zinc/54/68/08/1078546808.db2.gz VCEPMTTYWRPHCR-HNNXBMFYSA-N 1 1 411.340 2.550 20 0 HFADMO CO[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)[C@H]1CCOC1 ZINC001129564804 1078559023 /nfs/dbraw/zinc/55/90/23/1078559023.db2.gz ZRQIGJLIGYWYPC-SNJCGAMXSA-N 1 1 412.505 2.961 20 0 HFADMO COc1cccc2c1CC[C@H]2NC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000804529201 1078566864 /nfs/dbraw/zinc/56/68/64/1078566864.db2.gz SKYMBMUHWDKBNX-PXDATVDWSA-N 1 1 421.541 2.827 20 0 HFADMO CC(=O)c1ccc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(S(N)(=O)=O)c1 ZINC000804529582 1078568493 /nfs/dbraw/zinc/56/84/93/1078568493.db2.gz DLABMVQDUVSNGR-LJQANCHMSA-N 1 1 401.532 2.637 20 0 HFADMO Cc1csc([C@@](O)(CC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)C(F)(F)F)n1 ZINC000804532797 1078570286 /nfs/dbraw/zinc/57/02/86/1078570286.db2.gz KKMOTWHOKNVBOU-SFHVURJKSA-N 1 1 413.465 2.934 20 0 HFADMO Cc1cc(N2C[C@H](C(=O)N(C)C[C@@H]3CCC[N@H+]3C)CC2=O)ccc1Br ZINC001129906042 1078578490 /nfs/dbraw/zinc/57/84/90/1078578490.db2.gz VJUOMIODOIVAGC-ZBFHGGJFSA-N 1 1 408.340 2.663 20 0 HFADMO CC(=O)c1ccc(N2CC[NH+](C3CCC(C(C)C)CC3)CC2)c(S(N)(=O)=O)c1 ZINC000804539157 1078585915 /nfs/dbraw/zinc/58/59/15/1078585915.db2.gz XYJLMWDKBSSDGP-UHFFFAOYSA-N 1 1 407.580 2.873 20 0 HFADMO COCC(C)(C)[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2Br)CC1 ZINC001129926095 1078618399 /nfs/dbraw/zinc/61/83/99/1078618399.db2.gz NYVRXLJCQSTNFK-CYBMUJFWSA-N 1 1 417.319 2.925 20 0 HFADMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)sc2C1 ZINC001129950063 1078625500 /nfs/dbraw/zinc/62/55/00/1078625500.db2.gz CJSPYNOXDXQHIC-KBPBESRZSA-N 1 1 418.563 2.804 20 0 HFADMO COc1cccc(C2(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)CCCC2)c1 ZINC001129670108 1078628873 /nfs/dbraw/zinc/62/88/73/1078628873.db2.gz UJTOTLHRKRQHEQ-UHFFFAOYSA-N 1 1 402.535 2.505 20 0 HFADMO CCN1CC[NH+](CC(C)(C)NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 ZINC001129962043 1078635913 /nfs/dbraw/zinc/63/59/13/1078635913.db2.gz MNMIGQMYRORLQG-UHFFFAOYSA-N 1 1 418.582 2.857 20 0 HFADMO CCN1CC[NH+](CC(C)(C)NC(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC001129964756 1078638560 /nfs/dbraw/zinc/63/85/60/1078638560.db2.gz XWJFYEMAQOYYRP-MRXNPFEDSA-N 1 1 424.383 2.848 20 0 HFADMO COC[C@]1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC000804786095 1078641809 /nfs/dbraw/zinc/64/18/09/1078641809.db2.gz BESMHTGAMKJJQD-XMSQKQJNSA-N 1 1 409.571 2.926 20 0 HFADMO COc1cnc(C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)nc1 ZINC001129695310 1078654352 /nfs/dbraw/zinc/65/43/52/1078654352.db2.gz TYSZJBNZOBMJEI-UHFFFAOYSA-N 1 1 405.296 2.642 20 0 HFADMO COCC(COC)[NH+]1CCN(C(=O)/C(C)=C\c2ccc(OC(F)(F)F)cc2)CC1 ZINC001129698523 1078657727 /nfs/dbraw/zinc/65/77/27/1078657727.db2.gz LSRPUDQGFNXFBH-QINSGFPZSA-N 1 1 416.440 2.794 20 0 HFADMO Cn1c2cccc(F)c2nc1N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804834956 1078678101 /nfs/dbraw/zinc/67/81/01/1078678101.db2.gz PNFLMIGGTIXOMK-HNNXBMFYSA-N 1 1 403.502 2.844 20 0 HFADMO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](c3ccccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC000804643971 1078698820 /nfs/dbraw/zinc/69/88/20/1078698820.db2.gz UXBJSVBQMAWZDD-HLAWJBBLSA-N 1 1 406.530 2.567 20 0 HFADMO O=C(NCCS(=O)(=O)C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001129741321 1078712228 /nfs/dbraw/zinc/71/22/28/1078712228.db2.gz PYGKIWOPKJPZLQ-LEWJYISDSA-N 1 1 404.576 2.618 20 0 HFADMO C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000804900965 1078757218 /nfs/dbraw/zinc/75/72/18/1078757218.db2.gz AXGYCGYNZCQLQX-VBQJREDUSA-N 1 1 403.445 2.537 20 0 HFADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000804894957 1078752363 /nfs/dbraw/zinc/75/23/63/1078752363.db2.gz VAWRZJCZOXYPFV-OAHLLOKOSA-N 1 1 405.495 2.743 20 0 HFADMO COCCCOc1ccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000804948626 1078777014 /nfs/dbraw/zinc/77/70/14/1078777014.db2.gz BDNFFCBTYQTWIJ-UHFFFAOYSA-N 1 1 409.490 2.990 20 0 HFADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2csc(-c3ccc(OC)cc3)n2)CC1 ZINC000804967667 1078803994 /nfs/dbraw/zinc/80/39/94/1078803994.db2.gz CASVYFBTFJRGGJ-AWEZNQCLSA-N 1 1 403.504 2.528 20 0 HFADMO Cc1nc(Cl)ccc1S(=O)(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000804968144 1078804797 /nfs/dbraw/zinc/80/47/97/1078804797.db2.gz SWFYJGOETKULNO-AWEZNQCLSA-N 1 1 409.939 2.743 20 0 HFADMO Cc1nc(Cl)ccc1S(=O)(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000804968144 1078804807 /nfs/dbraw/zinc/80/48/07/1078804807.db2.gz SWFYJGOETKULNO-AWEZNQCLSA-N 1 1 409.939 2.743 20 0 HFADMO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804970716 1078805946 /nfs/dbraw/zinc/80/59/46/1078805946.db2.gz SXNRMOFJQDQJIT-VQIMIIECSA-N 1 1 413.440 2.788 20 0 HFADMO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000805098528 1078885497 /nfs/dbraw/zinc/88/54/97/1078885497.db2.gz IAXZSPQVGRNGSA-RDTXWAMCSA-N 1 1 401.429 2.644 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)ccc1Cl ZINC000805120410 1078904067 /nfs/dbraw/zinc/90/40/67/1078904067.db2.gz RZTNYINBKBYYDV-QGZVFWFLSA-N 1 1 414.886 2.847 20 0 HFADMO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747231765 1078951075 /nfs/dbraw/zinc/95/10/75/1078951075.db2.gz NNZJWXIYTMIOKQ-YUTCNCBUSA-N 1 1 417.731 2.849 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1F ZINC000747228758 1078951911 /nfs/dbraw/zinc/95/19/11/1078951911.db2.gz LAQOOUKDNFZDAK-PXNSSMCTSA-N 1 1 418.490 2.917 20 0 HFADMO C[C@@]1(CNC(=O)C(=O)N2CC[C@H](c3ccccn3)C2)CCC[N@H+]1Cc1ccccc1 ZINC000805199379 1078952631 /nfs/dbraw/zinc/95/26/31/1078952631.db2.gz ZAHJVUHNXHPXGT-RDPSFJRHSA-N 1 1 406.530 2.568 20 0 HFADMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000805169303 1078957240 /nfs/dbraw/zinc/95/72/40/1078957240.db2.gz CWLLNHAFEKYUSK-YJBOKZPZSA-N 1 1 408.518 2.955 20 0 HFADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000805184543 1078966129 /nfs/dbraw/zinc/96/61/29/1078966129.db2.gz RSINXHSWYZSASD-LEOABGAYSA-N 1 1 406.493 2.594 20 0 HFADMO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001130125064 1078975488 /nfs/dbraw/zinc/97/54/88/1078975488.db2.gz VOMNFIXIJSDSAY-FKVLARQCSA-N 1 1 412.578 2.939 20 0 HFADMO O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000805209351 1078988191 /nfs/dbraw/zinc/98/81/91/1078988191.db2.gz NHNTUNBLKCLSCB-KURKYZTESA-N 1 1 415.456 2.681 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000747237954 1078997772 /nfs/dbraw/zinc/99/77/72/1078997772.db2.gz BGZIQRLWOSVKKW-XLNAKTSKSA-N 1 1 414.527 2.598 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000747237954 1078997775 /nfs/dbraw/zinc/99/77/75/1078997775.db2.gz BGZIQRLWOSVKKW-XLNAKTSKSA-N 1 1 414.527 2.598 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)ccc1F ZINC000747237413 1079031622 /nfs/dbraw/zinc/03/16/22/1079031622.db2.gz JRZPMJFHJBYGQP-MRXNPFEDSA-N 1 1 412.508 2.789 20 0 HFADMO CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CCC[C@]2(C)CC(C)C)c(=O)[nH]c1=O ZINC001170479552 1079033435 /nfs/dbraw/zinc/03/34/35/1079033435.db2.gz JSLBOXXEUFSVHZ-OAQYLSRUSA-N 1 1 407.559 2.585 20 0 HFADMO O=C(C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)NCCc1ccc(OC(F)(F)F)cc1 ZINC001170481618 1079077717 /nfs/dbraw/zinc/07/77/17/1079077717.db2.gz WFTYIQXKQHBXOO-RCCFBDPRSA-N 1 1 400.441 2.869 20 0 HFADMO CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)N3CCC4(CCCC4)C3)CC2)cs1 ZINC000805533345 1079102503 /nfs/dbraw/zinc/10/25/03/1079102503.db2.gz HKPLBUPAEXKAMO-UHFFFAOYSA-N 1 1 418.607 2.826 20 0 HFADMO CC(C)[C@@H](CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC001130228378 1079113558 /nfs/dbraw/zinc/11/35/58/1079113558.db2.gz CQVIMAQKKOKHGO-UXHICEINSA-N 1 1 403.567 2.705 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(Cl)cc1Cl ZINC000747246887 1079122623 /nfs/dbraw/zinc/12/26/23/1079122623.db2.gz IPYWQLSIBJCVPW-KBPBESRZSA-N 1 1 407.319 2.685 20 0 HFADMO COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000747246579 1079123824 /nfs/dbraw/zinc/12/38/24/1079123824.db2.gz ARPZNGDTBKGARM-WYVHHVQNSA-N 1 1 406.479 2.593 20 0 HFADMO CN1CC[NH+](Cc2ccc(CNS(=O)(=O)/C=C/c3ccc(F)cc3)cc2)CC1 ZINC000747249152 1079124961 /nfs/dbraw/zinc/12/49/61/1079124961.db2.gz XORINKOOHLKGRJ-XNTDXEJSSA-N 1 1 403.523 2.663 20 0 HFADMO CC(C)c1ccc(C[NH+]2CCN(C(=O)COC(=O)c3cnn(C)c3C3CC3)CC2)cc1 ZINC000747253866 1079151873 /nfs/dbraw/zinc/15/18/73/1079151873.db2.gz PEFJHPVBVKKRON-UHFFFAOYSA-N 1 1 424.545 2.922 20 0 HFADMO CC(C)(C(=O)OCC(=O)NCc1cccc(OCC(F)(F)F)c1)[NH+]1CCCC1 ZINC000805612023 1079174598 /nfs/dbraw/zinc/17/45/98/1079174598.db2.gz HMZOSKHSLSNEMK-UHFFFAOYSA-N 1 1 402.413 2.662 20 0 HFADMO CC(C)[C@H](NC(=O)COC(=O)C(C)(C)[NH+]1CCCC1)c1ccc2c(c1)OCCO2 ZINC000805616117 1079176072 /nfs/dbraw/zinc/17/60/72/1079176072.db2.gz AIJSOEXURJRJCY-FQEVSTJZSA-N 1 1 404.507 2.689 20 0 HFADMO Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001130300629 1079191661 /nfs/dbraw/zinc/19/16/61/1079191661.db2.gz BXHITWYTXGNIGR-MOPGFXCFSA-N 1 1 407.580 2.819 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)ccc1F ZINC000747261386 1079198874 /nfs/dbraw/zinc/19/88/74/1079198874.db2.gz AAEKCLHBFJLNOH-QGZVFWFLSA-N 1 1 410.467 2.629 20 0 HFADMO COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NCc3c(C)cccc3C)CC2)cc1 ZINC000805679837 1079216651 /nfs/dbraw/zinc/21/66/51/1079216651.db2.gz PVYVYRSKQCBTCN-UHFFFAOYSA-N 1 1 409.530 2.663 20 0 HFADMO COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NCc3c(C)cccc3C)CC2)cc1 ZINC000805679837 1079216658 /nfs/dbraw/zinc/21/66/58/1079216658.db2.gz PVYVYRSKQCBTCN-UHFFFAOYSA-N 1 1 409.530 2.663 20 0 HFADMO C[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000805732038 1079239221 /nfs/dbraw/zinc/23/92/21/1079239221.db2.gz JFESKCCPHSKPJM-NRFANRHFSA-N 1 1 417.937 2.651 20 0 HFADMO C[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000805732038 1079239226 /nfs/dbraw/zinc/23/92/26/1079239226.db2.gz JFESKCCPHSKPJM-NRFANRHFSA-N 1 1 417.937 2.651 20 0 HFADMO C[N@@H+](CC(=O)NC1CCC2(CC1)OCCO2)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000805790508 1079257082 /nfs/dbraw/zinc/25/70/82/1079257082.db2.gz ATVVYRHTJDONQO-PMACEKPBSA-N 1 1 402.535 2.966 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC(=O)N1CCO[C@@H]3CCCC[C@H]31)C2 ZINC000805792401 1079257430 /nfs/dbraw/zinc/25/74/30/1079257430.db2.gz BLKBOVHVUKWQFF-PWHSHALESA-N 1 1 421.582 2.879 20 0 HFADMO Cn1cc(N2CCC[C@@H]([N@@H+]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2=O)cn1 ZINC000805794123 1079259167 /nfs/dbraw/zinc/25/91/67/1079259167.db2.gz QPYHOQHUTTXAOO-XMSQKQJNSA-N 1 1 417.554 2.639 20 0 HFADMO Cn1cc(N2CCC[C@@H]([N@H+]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2=O)cn1 ZINC000805794123 1079259169 /nfs/dbraw/zinc/25/91/69/1079259169.db2.gz QPYHOQHUTTXAOO-XMSQKQJNSA-N 1 1 417.554 2.639 20 0 HFADMO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805795567 1079259701 /nfs/dbraw/zinc/25/97/01/1079259701.db2.gz PZZPHLKSJAEDFW-VFNWGFHPSA-N 1 1 410.559 2.722 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)NCc1cccs1 ZINC000805764538 1079264991 /nfs/dbraw/zinc/26/49/91/1079264991.db2.gz CGHSEIRSOXTFRY-HNNXBMFYSA-N 1 1 424.567 2.843 20 0 HFADMO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805795035 1079260400 /nfs/dbraw/zinc/26/04/00/1079260400.db2.gz DXPHLGAVOWANNU-IIBYNOLFSA-N 1 1 410.559 2.580 20 0 HFADMO CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(F)c(C(=O)OC)c2)C1 ZINC000747268100 1079261260 /nfs/dbraw/zinc/26/12/60/1079261260.db2.gz UANHVYBZVBWAFW-AWEZNQCLSA-N 1 1 400.516 2.791 20 0 HFADMO CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@@H+](C[C@H](O)Cc3cccc(Cl)c3)C2)CC1 ZINC000805759544 1079261303 /nfs/dbraw/zinc/26/13/03/1079261303.db2.gz VEKDZMLUEIXAPN-VQTJNVASSA-N 1 1 423.985 2.870 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000805760490 1079261724 /nfs/dbraw/zinc/26/17/24/1079261724.db2.gz FSPKMLRZNABJAB-PMACEKPBSA-N 1 1 421.513 2.668 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000805760490 1079261728 /nfs/dbraw/zinc/26/17/28/1079261728.db2.gz FSPKMLRZNABJAB-PMACEKPBSA-N 1 1 421.513 2.668 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000805762214 1079264143 /nfs/dbraw/zinc/26/41/43/1079264143.db2.gz FOPGYKCRWWPVLJ-RBUKOAKNSA-N 1 1 402.539 2.957 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000805763792 1079266058 /nfs/dbraw/zinc/26/60/58/1079266058.db2.gz PMKZWJMKJNBOQS-IRXDYDNUSA-N 1 1 422.522 2.924 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)NCC[N@@H+](C)C2CCCC2)c(Cl)cc1Cl ZINC000747270583 1079277782 /nfs/dbraw/zinc/27/77/82/1079277782.db2.gz ZJMHGRJYGJSPOE-UHFFFAOYSA-N 1 1 409.335 2.933 20 0 HFADMO C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000805800126 1079280532 /nfs/dbraw/zinc/28/05/32/1079280532.db2.gz SUIUIFJJPSSLAM-GUTXKFCHSA-N 1 1 408.474 2.850 20 0 HFADMO C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000805800126 1079280535 /nfs/dbraw/zinc/28/05/35/1079280535.db2.gz SUIUIFJJPSSLAM-GUTXKFCHSA-N 1 1 408.474 2.850 20 0 HFADMO CNC(=O)OC[C@H]1CCCC[N@H+]1CCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000805825833 1079295681 /nfs/dbraw/zinc/29/56/81/1079295681.db2.gz HUFXCVITDJUJNZ-CYBMUJFWSA-N 1 1 403.552 2.905 20 0 HFADMO Ic1cccc(C[C@@H]2CC[N@@H+](C[C@@H]3C[C@H]4COC[C@@H]4O3)C2)c1 ZINC001170489532 1079293243 /nfs/dbraw/zinc/29/32/43/1079293243.db2.gz FVUFEZHDENDPFV-LAQRGFTBSA-N 1 1 413.299 2.960 20 0 HFADMO C[C@]1(CNC(=O)C(=O)NCCc2cc(F)ccc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000805824230 1079294676 /nfs/dbraw/zinc/29/46/76/1079294676.db2.gz ZETXHBYDYCIZBO-HSZRJFAPSA-N 1 1 415.484 2.652 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000747268157 1079294954 /nfs/dbraw/zinc/29/49/54/1079294954.db2.gz ARODJKWBWNLJBI-IXDOJHRFSA-N 1 1 414.527 2.816 20 0 HFADMO CNC(=O)OC[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000805827503 1079297515 /nfs/dbraw/zinc/29/75/15/1079297515.db2.gz KXFXCTVMFBGVOV-LSDHHAIUSA-N 1 1 419.291 2.538 20 0 HFADMO Cc1cccc(CCC(=O)OCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000805866547 1079309944 /nfs/dbraw/zinc/30/99/44/1079309944.db2.gz NGIBPIWRTZSMRI-UHFFFAOYSA-N 1 1 402.535 2.622 20 0 HFADMO CCN1C[C@@H](C[N@H+]2CC[C@@H](Cc3cccc(I)c3)C2)OC1=O ZINC001170490735 1079317922 /nfs/dbraw/zinc/31/79/22/1079317922.db2.gz ODVSBBAECZVYOU-GOEBONIOSA-N 1 1 414.287 2.996 20 0 HFADMO Cc1cc(N2CCC[C@H](OC(=O)c3cccc(CN4CCOCC4)c3)C2)nc(C)[nH+]1 ZINC000805878197 1079318898 /nfs/dbraw/zinc/31/88/98/1079318898.db2.gz FGWDYLXHHKWVRJ-NRFANRHFSA-N 1 1 410.518 2.751 20 0 HFADMO CNC(=O)COc1ccc(OC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000805882986 1079336242 /nfs/dbraw/zinc/33/62/42/1079336242.db2.gz VEVLGKRNNZAIDB-IRXDYDNUSA-N 1 1 412.486 2.640 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(Cl)cc1Cl ZINC000747276187 1079340214 /nfs/dbraw/zinc/34/02/14/1079340214.db2.gz DIRVGTBQEUQRGC-WDEREUQCSA-N 1 1 409.335 2.883 20 0 HFADMO COCC[N@@H+]1CCN(C(=O)c2cnnn2-c2cccc(Cl)c2Cl)C(C)(C)C1 ZINC001130421084 1079340846 /nfs/dbraw/zinc/34/08/46/1079340846.db2.gz MQRHDXGEQMNZRJ-UHFFFAOYSA-N 1 1 412.321 2.757 20 0 HFADMO COCC[N@H+]1CCN(C(=O)c2cnnn2-c2cccc(Cl)c2Cl)C(C)(C)C1 ZINC001130421084 1079340849 /nfs/dbraw/zinc/34/08/49/1079340849.db2.gz MQRHDXGEQMNZRJ-UHFFFAOYSA-N 1 1 412.321 2.757 20 0 HFADMO CCO[C@@H](C(=O)N[C@]1(C(=O)OC)CCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001130448370 1079349691 /nfs/dbraw/zinc/34/96/91/1079349691.db2.gz RSYKDVYVGHJWDT-NFBKMPQASA-N 1 1 402.535 2.906 20 0 HFADMO CCOC(=O)N1CCC(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)CC1 ZINC000747283612 1079356888 /nfs/dbraw/zinc/35/68/88/1079356888.db2.gz KELUFYURGNQARC-GOSISDBHSA-N 1 1 423.579 2.534 20 0 HFADMO C[C@@H]1CN(C(=O)c2cn(Cc3ccccn3)nn2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001130458983 1079382758 /nfs/dbraw/zinc/38/27/58/1079382758.db2.gz YBQNLIPEXSQRDP-CEXWTWQISA-N 1 1 404.518 2.845 20 0 HFADMO O=S(=O)(c1ccc(C[NH2+][C@H]2CCc3nc(Cl)ccc32)s1)N1CCOCC1 ZINC000806132392 1079434816 /nfs/dbraw/zinc/43/48/16/1079434816.db2.gz VVSVPGILTIOEPN-AWEZNQCLSA-N 1 1 413.952 2.595 20 0 HFADMO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H](O)c2cc(OC)ccc2OC)c1 ZINC000747306612 1079435664 /nfs/dbraw/zinc/43/56/64/1079435664.db2.gz KETBMGHGVKIURW-HXUWFJFHSA-N 1 1 401.507 2.688 20 0 HFADMO C[C@H](Sc1ncccc1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)N1CCCC1 ZINC001130518241 1079449493 /nfs/dbraw/zinc/44/94/93/1079449493.db2.gz ISJUOQDEHSZFOW-WDSOQIARSA-N 1 1 416.591 2.931 20 0 HFADMO COc1ccc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1S(=O)(=O)NC(C)(C)C ZINC001130519867 1079451526 /nfs/dbraw/zinc/45/15/26/1079451526.db2.gz YLAMMFPOTUSLGT-IAGOWNOFSA-N 1 1 423.579 2.519 20 0 HFADMO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC[N@H+](C)CC(C)C)C2)s1 ZINC001130523647 1079459072 /nfs/dbraw/zinc/45/90/72/1079459072.db2.gz HSMAOYXSBOZANF-KRWDZBQOSA-N 1 1 415.625 2.551 20 0 HFADMO COc1ccc(OC)c(CC(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001130528784 1079465353 /nfs/dbraw/zinc/46/53/53/1079465353.db2.gz PMNKGOXQYLZSOK-FYYLOGMGSA-N 1 1 410.514 2.748 20 0 HFADMO CN(C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000806248949 1079501396 /nfs/dbraw/zinc/50/13/96/1079501396.db2.gz PLXKIZUWCRUQGI-SJPCQFCGSA-N 1 1 402.520 2.971 20 0 HFADMO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000787332492 1076745280 /nfs/dbraw/zinc/74/52/80/1076745280.db2.gz LNDJXQIMLBDQKC-ZHALLVOQSA-N 1 1 424.586 2.527 20 0 HFADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000746676224 1076750910 /nfs/dbraw/zinc/75/09/10/1076750910.db2.gz IGSXRFKQLVVJAJ-GCJKJVERSA-N 1 1 402.560 2.720 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCSCc1ccnc(Cl)c1 ZINC000787315003 1076759425 /nfs/dbraw/zinc/75/94/25/1076759425.db2.gz VOXJYJOXXHLYGM-OAHLLOKOSA-N 1 1 412.987 2.863 20 0 HFADMO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787316689 1076760298 /nfs/dbraw/zinc/76/02/98/1076760298.db2.gz JWTFXVHWTBYBRJ-JKSUJKDBSA-N 1 1 405.543 2.690 20 0 HFADMO Cc1cccnc1C(F)(F)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000787319857 1076762246 /nfs/dbraw/zinc/76/22/46/1076762246.db2.gz SSVOBPIDEBBKHH-UHFFFAOYSA-N 1 1 404.461 2.628 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787322282 1076766429 /nfs/dbraw/zinc/76/64/29/1076766429.db2.gz CZESIGJXWQVRAU-KZNAEPCWSA-N 1 1 424.586 2.717 20 0 HFADMO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)[C@H]1C ZINC000787324644 1076768021 /nfs/dbraw/zinc/76/80/21/1076768021.db2.gz KWJWBEYOGAFOAV-YOEHRIQHSA-N 1 1 413.449 2.900 20 0 HFADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)[C@H]1C ZINC000787324644 1076768027 /nfs/dbraw/zinc/76/80/27/1076768027.db2.gz KWJWBEYOGAFOAV-YOEHRIQHSA-N 1 1 413.449 2.900 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)[nH]n2)C1 ZINC000787379925 1076779575 /nfs/dbraw/zinc/77/95/75/1076779575.db2.gz AKNXLUMPKAWXFB-IRXDYDNUSA-N 1 1 417.554 2.692 20 0 HFADMO C[NH+](C)CC1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC1 ZINC000787349361 1076790826 /nfs/dbraw/zinc/79/08/26/1076790826.db2.gz JIZRXXVXKFZHNU-MRXNPFEDSA-N 1 1 405.543 2.548 20 0 HFADMO C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000746677669 1076792033 /nfs/dbraw/zinc/79/20/33/1076792033.db2.gz SDGIANYKBAKLEH-HOTGVXAUSA-N 1 1 400.548 2.770 20 0 HFADMO Cc1cccnc1C(F)(F)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000787393696 1076806331 /nfs/dbraw/zinc/80/63/31/1076806331.db2.gz LXOHTMKOQWUFPR-UHFFFAOYSA-N 1 1 404.461 2.747 20 0 HFADMO CCOCc1ccccc1CNC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000787513558 1076831757 /nfs/dbraw/zinc/83/17/57/1076831757.db2.gz KZLVKCWDRNFFFV-RUZDIDTESA-N 1 1 423.557 2.868 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H](c2ccc(F)c(C)c2)C2CC2)cn1 ZINC000787477496 1076838026 /nfs/dbraw/zinc/83/80/26/1076838026.db2.gz IQLUSQDJUPJJAG-NRFANRHFSA-N 1 1 421.476 2.907 20 0 HFADMO CCCN(CCc1cccs1)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000787479718 1076838996 /nfs/dbraw/zinc/83/89/96/1076838996.db2.gz WILLFBKODDNFES-UHFFFAOYSA-N 1 1 411.531 2.735 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@@H](c3ccc(C)cc3)C[C@H]2C)cn1 ZINC000787481223 1076839066 /nfs/dbraw/zinc/83/90/66/1076839066.db2.gz KVJRLUAMZZGCEP-UTKZUKDTSA-N 1 1 417.513 2.905 20 0 HFADMO CCN(Cc1ccccc1Cl)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000787480935 1076839287 /nfs/dbraw/zinc/83/92/87/1076839287.db2.gz IMEWNEPUFMBZGG-UHFFFAOYSA-N 1 1 411.893 2.894 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCCCCCc2ccc(F)cc2)cn1 ZINC000787482086 1076839712 /nfs/dbraw/zinc/83/97/12/1076839712.db2.gz PXGCBKOIUQYXAG-UHFFFAOYSA-N 1 1 423.492 2.860 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[C@H](Cc3ccccc3)[C@@H]2C)cn1 ZINC000787480320 1076839759 /nfs/dbraw/zinc/83/97/59/1076839759.db2.gz ZOIBFQLEAOSILA-LAUBAEHRSA-N 1 1 417.513 2.672 20 0 HFADMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C[C@H]1C ZINC000787483240 1076840436 /nfs/dbraw/zinc/84/04/36/1076840436.db2.gz PCGCKDANSCBFOA-OWCLPIDISA-N 1 1 405.543 2.689 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2Cc3ccccc3C(C)(C)C2)cn1 ZINC000787482942 1076840749 /nfs/dbraw/zinc/84/07/49/1076840749.db2.gz BXNDFDYNMQAGTF-UHFFFAOYSA-N 1 1 403.486 2.512 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H](C)c2ccc3ncsc3c2)cn1 ZINC000787483973 1076841214 /nfs/dbraw/zinc/84/12/14/1076841214.db2.gz CKOXHXPPWFDAPW-ZDUSSCGKSA-N 1 1 420.498 2.679 20 0 HFADMO CC[C@@H]1Cc2ccccc2CN1C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000787483552 1076842307 /nfs/dbraw/zinc/84/23/07/1076842307.db2.gz FZRWQWXHJYSFER-HXUWFJFHSA-N 1 1 403.486 2.555 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCC2(c3ccc(F)cc3)CCC2)cn1 ZINC000787484462 1076843090 /nfs/dbraw/zinc/84/30/90/1076843090.db2.gz DFQOHTHWHXGMNX-UHFFFAOYSA-N 1 1 421.476 2.569 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)cn1 ZINC000787485802 1076843567 /nfs/dbraw/zinc/84/35/67/1076843567.db2.gz QHLXIWISTVCLNU-FQEVSTJZSA-N 1 1 423.492 2.715 20 0 HFADMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787529700 1076849638 /nfs/dbraw/zinc/84/96/38/1076849638.db2.gz KJNBZIXGLYTUFY-CVEARBPZSA-N 1 1 405.543 2.737 20 0 HFADMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787529710 1076849702 /nfs/dbraw/zinc/84/97/02/1076849702.db2.gz KJNBZIXGLYTUFY-HZPDHXFCSA-N 1 1 405.543 2.737 20 0 HFADMO COc1ccccc1[C@H](CNC(=O)C(=O)NCCSC(C)(C)C)[NH+]1CCCCC1 ZINC000787591395 1076862342 /nfs/dbraw/zinc/86/23/42/1076862342.db2.gz KASUEHRWDPJVSI-SFHVURJKSA-N 1 1 421.607 2.986 20 0 HFADMO CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C2CCC2)cc1 ZINC000787560272 1076864432 /nfs/dbraw/zinc/86/44/32/1076864432.db2.gz MCZIAFWILOPXOW-OAQYLSRUSA-N 1 1 400.567 2.767 20 0 HFADMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccc(C2CCC2)cc1 ZINC000787575541 1076869745 /nfs/dbraw/zinc/86/97/45/1076869745.db2.gz ZQGMPBLFXYZMCY-RUZDIDTESA-N 1 1 421.541 2.988 20 0 HFADMO C[C@@H](COc1ccccc1)NC(=O)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000787629399 1076883355 /nfs/dbraw/zinc/88/33/55/1076883355.db2.gz ZYIVJFDRLXPOPA-SFHVURJKSA-N 1 1 409.530 2.523 20 0 HFADMO C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4cc(Br)ccc4c3)C[C@H]2C1 ZINC000787598333 1076886900 /nfs/dbraw/zinc/88/69/00/1076886900.db2.gz MAPHCSRGSFETQR-GASCZTMLSA-N 1 1 402.292 2.561 20 0 HFADMO C[C@@H](NC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1nc2ccccc2s1 ZINC000787649543 1076897641 /nfs/dbraw/zinc/89/76/41/1076897641.db2.gz ASSHSATUJYWCMI-DOMZBBRYSA-N 1 1 402.545 2.954 20 0 HFADMO CC[N@H+](CC(=O)Nc1ccccc1OC)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000787690350 1076913030 /nfs/dbraw/zinc/91/30/30/1076913030.db2.gz XSPIKPMNQGMKNK-AVRDEDQJSA-N 1 1 421.538 2.716 20 0 HFADMO CC[N@@H+](CC(=O)Nc1ccccc1OC)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000787690350 1076913033 /nfs/dbraw/zinc/91/30/33/1076913033.db2.gz XSPIKPMNQGMKNK-AVRDEDQJSA-N 1 1 421.538 2.716 20 0 HFADMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000787728556 1076933511 /nfs/dbraw/zinc/93/35/11/1076933511.db2.gz KYEYNGMBNIEZCH-XQAUZQBESA-N 1 1 400.450 2.757 20 0 HFADMO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000787728556 1076933513 /nfs/dbraw/zinc/93/35/13/1076933513.db2.gz KYEYNGMBNIEZCH-XQAUZQBESA-N 1 1 400.450 2.757 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)C1 ZINC000787772138 1076942148 /nfs/dbraw/zinc/94/21/48/1076942148.db2.gz YGBLVKUERDCXOJ-GCJKJVERSA-N 1 1 409.571 2.737 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2cc(C)cnc2Cl)cc1F ZINC000787880347 1076974630 /nfs/dbraw/zinc/97/46/30/1076974630.db2.gz ROXAKLJNPKDERE-UHFFFAOYSA-N 1 1 401.829 2.932 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000787907966 1076990413 /nfs/dbraw/zinc/99/04/13/1076990413.db2.gz BVIJYBFRDONGDN-KDURUIRLSA-N 1 1 402.583 2.633 20 0 HFADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000787908080 1076990417 /nfs/dbraw/zinc/99/04/17/1076990417.db2.gz GWXVZNBERCJXJO-UGKGYDQZSA-N 1 1 415.578 2.899 20 0 HFADMO CC(C)OCC[NH+]1CCN(C(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)CC1 ZINC000746724095 1077024438 /nfs/dbraw/zinc/02/44/38/1077024438.db2.gz GCWBEEWKNSTGKI-UHFFFAOYSA-N 1 1 406.527 2.896 20 0 HFADMO Cc1c[nH+]ccc1OC1CCN(C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000788003690 1077025253 /nfs/dbraw/zinc/02/52/53/1077025253.db2.gz FUURFTOXQAGHPF-OAQYLSRUSA-N 1 1 404.532 2.544 20 0 HFADMO Cc1c[nH+]ccc1OC1CCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000788004531 1077025867 /nfs/dbraw/zinc/02/58/67/1077025867.db2.gz OLMOFPSOCSIUQF-UHFFFAOYSA-N 1 1 410.518 2.709 20 0 HFADMO CC[N@@H+](C)C[C@@H]1CCN(CN2C(=O)C(=O)c3c2ccc(Br)c3Cl)C1 ZINC000788046310 1077040295 /nfs/dbraw/zinc/04/02/95/1077040295.db2.gz LIOSMWLIIZLENL-NSHDSACASA-N 1 1 414.731 2.863 20 0 HFADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2cnn(-c3ccccc3Cl)c2)CC1 ZINC000746726861 1077050491 /nfs/dbraw/zinc/05/04/91/1077050491.db2.gz ZBCNCFRIIGFAOS-CQSZACIVSA-N 1 1 405.886 2.627 20 0 HFADMO Cc1cc(N2CCC[C@H](OC(=O)CN(C)C(=O)OCc3ccccc3)C2)nc(C)[nH+]1 ZINC000788085619 1077054859 /nfs/dbraw/zinc/05/48/59/1077054859.db2.gz HTTKKDCBVDKYDN-IBGZPJMESA-N 1 1 412.490 2.874 20 0 HFADMO O=C(CC1CCC2(CC1)OCCO2)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000788096120 1077057678 /nfs/dbraw/zinc/05/76/78/1077057678.db2.gz KPQKMXIPJOENIP-UHFFFAOYSA-N 1 1 421.969 2.902 20 0 HFADMO Cc1ccc(NC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1N1CCOC1=O ZINC000746731919 1077073466 /nfs/dbraw/zinc/07/34/66/1077073466.db2.gz ZFYHMTUXKCEXEQ-HSZRJFAPSA-N 1 1 424.501 2.710 20 0 HFADMO O=C1C[C@@H]([NH+]2CCC(COc3ccc(Cl)nc3)CC2)C(=O)N1c1cccc(O)c1 ZINC000788332234 1077105368 /nfs/dbraw/zinc/10/53/68/1077105368.db2.gz RKAYIQKVVZDFFF-GOSISDBHSA-N 1 1 415.877 2.864 20 0 HFADMO CN(C(=O)OC(C)(C)C)[C@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)c1cnn(C)c1 ZINC000788308114 1077114862 /nfs/dbraw/zinc/11/48/62/1077114862.db2.gz UTHLXCDNWRRITO-IBGZPJMESA-N 1 1 419.570 2.805 20 0 HFADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000746744758 1077125808 /nfs/dbraw/zinc/12/58/08/1077125808.db2.gz WRAMMJDOOKTCMA-MSOLQXFVSA-N 1 1 400.454 2.784 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000746744764 1077125856 /nfs/dbraw/zinc/12/58/56/1077125856.db2.gz WRAMMJDOOKTCMA-ZWKOTPCHSA-N 1 1 400.454 2.784 20 0 HFADMO COc1ccc(-c2nn(CN(C)[C@H](C)C[NH+]3CCOCC3)c(=O)c3ccccc32)cc1 ZINC000788377202 1077134341 /nfs/dbraw/zinc/13/43/41/1077134341.db2.gz JVTIZUABRMBQPN-GOSISDBHSA-N 1 1 422.529 2.682 20 0 HFADMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc3n(n2)CCC[C@H]3NC(=O)OC(C)(C)C)C1 ZINC001626111930 1077136384 /nfs/dbraw/zinc/13/63/84/1077136384.db2.gz SWXBEXAJVAACGW-HZPDHXFCSA-N 1 1 405.543 2.704 20 0 HFADMO O=C1C[C@@]2(CC[N@@H+](Cn3ccn(-c4ccc(Br)cc4)c3=S)C2)CN1 ZINC000788384624 1077138608 /nfs/dbraw/zinc/13/86/08/1077138608.db2.gz UWFXYYRISBOSBW-KRWDZBQOSA-N 1 1 407.337 2.940 20 0 HFADMO O=C1C[C@@]2(CC[N@H+](Cn3ccn(-c4ccc(Br)cc4)c3=S)C2)CN1 ZINC000788384624 1077138610 /nfs/dbraw/zinc/13/86/10/1077138610.db2.gz UWFXYYRISBOSBW-KRWDZBQOSA-N 1 1 407.337 2.940 20 0 HFADMO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000788468791 1077169652 /nfs/dbraw/zinc/16/96/52/1077169652.db2.gz CRWMFLURQPHXGA-MLGOLLRUSA-N 1 1 407.312 2.945 20 0 HFADMO Cn1cc(Br)cc1C[N@@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000788488714 1077178055 /nfs/dbraw/zinc/17/80/55/1077178055.db2.gz RSZNZJBXZOPYDU-UHFFFAOYSA-N 1 1 415.376 2.772 20 0 HFADMO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000788611020 1077207275 /nfs/dbraw/zinc/20/72/75/1077207275.db2.gz WUGZHGGFLQWFQX-LPHOPBHVSA-N 1 1 402.539 2.635 20 0 HFADMO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000788611020 1077207279 /nfs/dbraw/zinc/20/72/79/1077207279.db2.gz WUGZHGGFLQWFQX-LPHOPBHVSA-N 1 1 402.539 2.635 20 0 HFADMO CCN1CC[NH+](Cc2ccc(CNS(=O)(=O)c3ccc(C)nc3Cl)cc2)CC1 ZINC000788597426 1077218596 /nfs/dbraw/zinc/21/85/96/1077218596.db2.gz QFXKNBSGMFAJLP-UHFFFAOYSA-N 1 1 422.982 2.659 20 0 HFADMO C[C@H](Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000788608027 1077222129 /nfs/dbraw/zinc/22/21/29/1077222129.db2.gz HCTYPSOUGSMSGG-ZDUSSCGKSA-N 1 1 423.485 2.699 20 0 HFADMO C[C@H](Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000788608027 1077222132 /nfs/dbraw/zinc/22/21/32/1077222132.db2.gz HCTYPSOUGSMSGG-ZDUSSCGKSA-N 1 1 423.485 2.699 20 0 HFADMO COc1cc(C[NH2+][C@@H](C)c2nc(Br)ccc2F)ccc1OCC(N)=O ZINC000788642366 1077243914 /nfs/dbraw/zinc/24/39/14/1077243914.db2.gz MHTBMBXKSIIRSA-JTQLQIEISA-N 1 1 412.259 2.707 20 0 HFADMO 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DGCAWXNLVNCOMT-QPPBQGQZSA-N 1 1 412.578 2.705 20 0 HFADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CN1C[C@]2(CN3CCC2CC3)OC1=O ZINC000790364057 1078004835 /nfs/dbraw/zinc/00/48/35/1078004835.db2.gz DGCAWXNLVNCOMT-QPPBQGQZSA-N 1 1 412.578 2.705 20 0 HFADMO CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)n1 ZINC000747089558 1078010275 /nfs/dbraw/zinc/01/02/75/1078010275.db2.gz FJZKKVQKDZGMQA-LSDHHAIUSA-N 1 1 409.531 2.607 20 0 HFADMO CC(C)c1noc([C@H](C)[N@H+]2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)n1 ZINC000747089558 1078010279 /nfs/dbraw/zinc/01/02/79/1078010279.db2.gz FJZKKVQKDZGMQA-LSDHHAIUSA-N 1 1 409.531 2.607 20 0 HFADMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N(CCO)Cc1cccnc1Cl ZINC000792863806 1078011178 /nfs/dbraw/zinc/01/11/78/1078011178.db2.gz SAHNNFLSSDJABJ-LJQANCHMSA-N 1 1 402.926 2.904 20 0 HFADMO O=C(NC[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1)OCc1ccccc1 ZINC000792871994 1078012218 /nfs/dbraw/zinc/01/22/18/1078012218.db2.gz MEQHWJXWVHRWAR-HBMCJLEFSA-N 1 1 414.550 2.961 20 0 HFADMO O=C(NC[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1)OCc1ccccc1 ZINC000792852678 1078014867 /nfs/dbraw/zinc/01/48/67/1078014867.db2.gz CHHBOUOEUWSLKQ-PWRODBHTSA-N 1 1 414.550 2.961 20 0 HFADMO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cn1 ZINC000790372785 1078017245 /nfs/dbraw/zinc/01/72/45/1078017245.db2.gz BXWIMVIDBSZZIF-FCHUYYIVSA-N 1 1 411.550 2.633 20 0 HFADMO COc1ccc(CCNC(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1OC ZINC000792905784 1078020661 /nfs/dbraw/zinc/02/06/61/1078020661.db2.gz NMXNIKYKKFOWLM-AEFFLSMTSA-N 1 1 401.334 2.878 20 0 HFADMO COc1ccc(CCNC(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1OC ZINC000792905784 1078020667 /nfs/dbraw/zinc/02/06/67/1078020667.db2.gz NMXNIKYKKFOWLM-AEFFLSMTSA-N 1 1 401.334 2.878 20 0 HFADMO C[C@]12CC[N@H+](CC(=O)N3CCN(c4ccc(F)cc4)CC3)C[C@H]1C2(Cl)Cl ZINC000792909014 1078021357 /nfs/dbraw/zinc/02/13/57/1078021357.db2.gz WUABWTGXXMGTSK-AEFFLSMTSA-N 1 1 400.325 2.990 20 0 HFADMO C[C@]12CC[N@@H+](CC(=O)N3CCN(c4ccc(F)cc4)CC3)C[C@H]1C2(Cl)Cl ZINC000792909014 1078021362 /nfs/dbraw/zinc/02/13/62/1078021362.db2.gz WUABWTGXXMGTSK-AEFFLSMTSA-N 1 1 400.325 2.990 20 0 HFADMO CC(C)CNC(=O)c1ccccc1NC(=O)CN1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000792938748 1078022030 /nfs/dbraw/zinc/02/20/30/1078022030.db2.gz CPYIDESXELQEID-NRFANRHFSA-N 1 1 422.573 2.870 20 0 HFADMO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000792942318 1078022539 /nfs/dbraw/zinc/02/25/39/1078022539.db2.gz ZFRJCXQECZUYSO-SXWKCWPCSA-N 1 1 404.551 2.986 20 0 HFADMO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000792943764 1078023172 /nfs/dbraw/zinc/02/31/72/1078023172.db2.gz UEPDLVSBKKALSL-HYBUGGRVSA-N 1 1 422.573 2.709 20 0 HFADMO CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1 ZINC000792913206 1078024061 /nfs/dbraw/zinc/02/40/61/1078024061.db2.gz MIRVOMKOVPFHBJ-CVEARBPZSA-N 1 1 407.363 2.831 20 0 HFADMO C[C@H]1CN(C(=O)C[N@H+](CCNC(=O)OC(C)(C)C)CCc2ccccc2)C[C@H](C)O1 ZINC000792931684 1078027887 /nfs/dbraw/zinc/02/78/87/1078027887.db2.gz RYBUYSYUXWLUSC-OALUTQOASA-N 1 1 419.566 2.692 20 0 HFADMO C[C@H]1CN(C(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)CCc2ccccc2)C[C@H](C)O1 ZINC000792931684 1078027891 /nfs/dbraw/zinc/02/78/91/1078027891.db2.gz RYBUYSYUXWLUSC-OALUTQOASA-N 1 1 419.566 2.692 20 0 HFADMO COC(=O)c1c2cnn(C[N@H+](C[C@@H](C)C(=O)OC)C3CC3)c2ccc1Br ZINC000790440693 1078032229 /nfs/dbraw/zinc/03/22/29/1078032229.db2.gz VIYVJSRZGCQQNF-LLVKDONJSA-N 1 1 424.295 2.816 20 0 HFADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@]1(C)CCN(C(=O)OCc2ccccc2)C1 ZINC000792953980 1078034586 /nfs/dbraw/zinc/03/45/86/1078034586.db2.gz ACRRVPNWOSEQBB-VGOFRKELSA-N 1 1 413.522 2.928 20 0 HFADMO COc1ccc(OC)c([C@H](O)C[N@@H+](Cc2ccccc2)C[C@]2(O)CCO[C@H]2C)c1 ZINC000790457025 1078037112 /nfs/dbraw/zinc/03/71/12/1078037112.db2.gz DWSHZTFZVLBOHO-AMHTUMDSSA-N 1 1 401.503 2.779 20 0 HFADMO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccc(C)c(Br)n2)c1 ZINC000792983466 1078040250 /nfs/dbraw/zinc/04/02/50/1078040250.db2.gz UNKNKRQDUIUKIX-UHFFFAOYSA-N 1 1 419.323 2.859 20 0 HFADMO O=C(OCc1ccccc1)N1CCC([NH2+][C@@H]2CS(=O)(=O)c3ccccc32)CC1 ZINC000790487227 1078042356 /nfs/dbraw/zinc/04/23/56/1078042356.db2.gz WUOXELVKXBMLFM-LJQANCHMSA-N 1 1 400.500 2.906 20 0 HFADMO COC(=O)N1CCC(CNC(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000806264866 1079528794 /nfs/dbraw/zinc/52/87/94/1079528794.db2.gz HRORFFNPSIWKIT-INIZCTEOSA-N 1 1 404.511 2.680 20 0 HFADMO Cc1ccc(C(=O)N2[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC001130586771 1079562531 /nfs/dbraw/zinc/56/25/31/1079562531.db2.gz UNHXACYWRRJZGA-KURKYZTESA-N 1 1 407.580 2.723 20 0 HFADMO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)CCC2 ZINC000806296462 1079585428 /nfs/dbraw/zinc/58/54/28/1079585428.db2.gz AJAXSDMGXDCIPE-SVFBPWRDSA-N 1 1 409.534 2.519 20 0 HFADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)CC1 ZINC000806333291 1079603782 /nfs/dbraw/zinc/60/37/82/1079603782.db2.gz NZEKBMJCOXYDCQ-IUKKYPGJSA-N 1 1 424.497 2.664 20 0 HFADMO C[C@@]1(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001130609280 1079628251 /nfs/dbraw/zinc/62/82/51/1079628251.db2.gz DZGXAXCJPNVNKF-XMMPIXPASA-N 1 1 405.498 2.730 20 0 HFADMO Cc1ccccc1[C@@H](O)C1CCN(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000806360239 1079647240 /nfs/dbraw/zinc/64/72/40/1079647240.db2.gz AFHYQJBXSMNLHM-GOTSBHOMSA-N 1 1 416.610 2.722 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000806394368 1079683291 /nfs/dbraw/zinc/68/32/91/1079683291.db2.gz LMCRHHIWWVHFHL-FQEVSTJZSA-N 1 1 402.539 2.697 20 0 HFADMO C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2ccon2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000806398913 1079686610 /nfs/dbraw/zinc/68/66/10/1079686610.db2.gz XWOATVOGELGTRT-YOEHRIQHSA-N 1 1 424.423 2.509 20 0 HFADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000806407040 1079694265 /nfs/dbraw/zinc/69/42/65/1079694265.db2.gz YMRIAMVHAUHZOW-AABGKKOBSA-N 1 1 424.586 2.720 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)N[C@H](C2CC2)C(F)(F)F)CC1 ZINC000806444938 1079715937 /nfs/dbraw/zinc/71/59/37/1079715937.db2.gz IFZWJCDAQOHUTM-CQSZACIVSA-N 1 1 408.465 2.569 20 0 HFADMO Cc1noc(C)c1CCCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000806480294 1079765075 /nfs/dbraw/zinc/76/50/75/1079765075.db2.gz HDPBLOOHXDDPOW-QFBILLFUSA-N 1 1 418.563 2.601 20 0 HFADMO C[N@@H+]1CCN(C(=O)NCc2nc(Cc3ccccc3)no2)C[C@@H]1Cc1ccccc1 ZINC000806547477 1079785047 /nfs/dbraw/zinc/78/50/47/1079785047.db2.gz IMVALDXXIBDNCX-FQEVSTJZSA-N 1 1 405.502 2.729 20 0 HFADMO C[N@H+]1CCN(C(=O)NCc2nc(Cc3ccccc3)no2)C[C@@H]1Cc1ccccc1 ZINC000806547477 1079785055 /nfs/dbraw/zinc/78/50/55/1079785055.db2.gz IMVALDXXIBDNCX-FQEVSTJZSA-N 1 1 405.502 2.729 20 0 HFADMO COC(=O)[C@]1(NC(=O)[C@H](OC)c2ccc(F)cc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001130661480 1079808691 /nfs/dbraw/zinc/80/86/91/1079808691.db2.gz YZOXISQOPZTFOS-OFNKIYASSA-N 1 1 414.477 2.837 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@](N)(c1cccc(F)c1)C(F)(F)F ZINC000806552039 1079816460 /nfs/dbraw/zinc/81/64/60/1079816460.db2.gz SAHBFVPSFJVZLI-GOSISDBHSA-N 1 1 407.371 2.748 20 0 HFADMO Cc1cccn2cc(COc3ccc(C(=O)NC[C@@H]4C[N@H+]5CCC[C@@H]5CO4)cc3)nc12 ZINC000747341895 1079876207 /nfs/dbraw/zinc/87/62/07/1079876207.db2.gz IPBLNLHOYOFCHO-IFMALSPDSA-N 1 1 420.513 2.815 20 0 HFADMO C[N@H+]1CC[C@@](O)(CNC(=O)N[C@@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)C1 ZINC000806679588 1079908950 /nfs/dbraw/zinc/90/89/50/1079908950.db2.gz DIAINYLXLAJBCX-GOEBONIOSA-N 1 1 419.740 2.945 20 0 HFADMO C[C@H](C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806722470 1079946203 /nfs/dbraw/zinc/94/62/03/1079946203.db2.gz YUABEWXTSXALTG-OTWHNJEPSA-N 1 1 422.614 2.506 20 0 HFADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000806729078 1079953500 /nfs/dbraw/zinc/95/35/00/1079953500.db2.gz JAPGORNEBCHPDM-LJQANCHMSA-N 1 1 423.557 2.653 20 0 HFADMO O=C(c1ccnc(OCC(F)F)c1)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001130733729 1079973803 /nfs/dbraw/zinc/97/38/03/1079973803.db2.gz XOHFBCQTULDIKB-RBUKOAKNSA-N 1 1 417.456 2.841 20 0 HFADMO COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2ccc(OCCC[NH+]3CCN(C)CC3)cc2)C1 ZINC001130742354 1080006292 /nfs/dbraw/zinc/00/62/92/1080006292.db2.gz TULNEVXBVBSCSL-MOPGFXCFSA-N 1 1 417.550 2.621 20 0 HFADMO Cn1ncc(C2CCC2)c1C(=O)Nc1ccc(OCCC[NH+]2CCN(C)CC2)cc1 ZINC001130742448 1080006580 /nfs/dbraw/zinc/00/65/80/1080006580.db2.gz XWMHZTBOFUFVEI-UHFFFAOYSA-N 1 1 411.550 2.956 20 0 HFADMO CC(C)OC(=O)N1CCC(NC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000806795702 1080014762 /nfs/dbraw/zinc/01/47/62/1080014762.db2.gz JJTQXGCXMVTDQP-FQEVSTJZSA-N 1 1 402.539 2.564 20 0 HFADMO CC(C)OC(=O)N1CCC(NC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000806795702 1080014771 /nfs/dbraw/zinc/01/47/71/1080014771.db2.gz JJTQXGCXMVTDQP-FQEVSTJZSA-N 1 1 402.539 2.564 20 0 HFADMO C[N@@H+]1CCN(C(=O)c2ccc(I)cn2)[C@H](Cc2ccccc2)C1 ZINC001130751489 1080021765 /nfs/dbraw/zinc/02/17/65/1080021765.db2.gz JXHWMSXCFPDPPF-MRXNPFEDSA-N 1 1 421.282 2.685 20 0 HFADMO C[N@H+]1CCN(C(=O)c2ccc(I)cn2)[C@H](Cc2ccccc2)C1 ZINC001130751489 1080021775 /nfs/dbraw/zinc/02/17/75/1080021775.db2.gz JXHWMSXCFPDPPF-MRXNPFEDSA-N 1 1 421.282 2.685 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2cc(C)c(F)cc2Cl)cn1 ZINC000806856248 1080060586 /nfs/dbraw/zinc/06/05/86/1080060586.db2.gz FLYPHRPLUPVXPF-UHFFFAOYSA-N 1 1 401.829 2.932 20 0 HFADMO C[NH+](C)CCN1CCC(CNC(=O)c2nc(Br)sc2C2CC2)CC1 ZINC000806872236 1080073496 /nfs/dbraw/zinc/07/34/96/1080073496.db2.gz HJDSPWCMYXUKGG-UHFFFAOYSA-N 1 1 415.401 2.786 20 0 HFADMO O=C(CSc1n[nH]c(=S)s1)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000747360622 1080077038 /nfs/dbraw/zinc/07/70/38/1080077038.db2.gz YEPANFCVTHTAFI-UHFFFAOYSA-N 1 1 423.633 2.638 20 0 HFADMO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000806917377 1080087287 /nfs/dbraw/zinc/08/72/87/1080087287.db2.gz RMOBYBUDFQQNEV-HOJAQTOUSA-N 1 1 402.539 2.817 20 0 HFADMO CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc1 ZINC000806944988 1080155130 /nfs/dbraw/zinc/15/51/30/1080155130.db2.gz GKXNROVAVGPLEJ-UHFFFAOYSA-N 1 1 420.554 2.674 20 0 HFADMO CSCC[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000807050773 1080234197 /nfs/dbraw/zinc/23/41/97/1080234197.db2.gz BBOAZUHSXQAOIE-FRYIKTPZSA-N 1 1 403.592 2.661 20 0 HFADMO CSCC[C@H](C)NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000807055028 1080237531 /nfs/dbraw/zinc/23/75/31/1080237531.db2.gz KEYHTPPHNPZRDE-PGRDOPGGSA-N 1 1 403.592 2.759 20 0 HFADMO CN(C(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000807071699 1080254255 /nfs/dbraw/zinc/25/42/55/1080254255.db2.gz ADCZAPWEBIYXBQ-HTAPYJJXSA-N 1 1 418.969 2.850 20 0 HFADMO CN(C(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000807071699 1080254257 /nfs/dbraw/zinc/25/42/57/1080254257.db2.gz ADCZAPWEBIYXBQ-HTAPYJJXSA-N 1 1 418.969 2.850 20 0 HFADMO Cc1ccc(CNC(=O)N2CCCC[C@@H]2COC(=O)N(C)C)c(N2CCCC2)[nH+]1 ZINC000807093963 1080272790 /nfs/dbraw/zinc/27/27/90/1080272790.db2.gz RHKIXEXIMGXWRJ-GOSISDBHSA-N 1 1 403.527 2.753 20 0 HFADMO CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000807113850 1080290596 /nfs/dbraw/zinc/29/05/96/1080290596.db2.gz IKECZIJJASANGP-YZGWKJHDSA-N 1 1 402.539 2.817 20 0 HFADMO C[C@@H]1C[C@H](CCNC(=O)c2ccc(C(N)=O)c(Cl)n2)C[N@H+]1Cc1ccccc1 ZINC000807149642 1080307023 /nfs/dbraw/zinc/30/70/23/1080307023.db2.gz CKWUYDKRXLUGIZ-ZBFHGGJFSA-N 1 1 400.910 2.864 20 0 HFADMO CNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000807151673 1080310456 /nfs/dbraw/zinc/31/04/56/1080310456.db2.gz GDOFZGZLTGLBER-KNQAVFIVSA-N 1 1 402.539 2.961 20 0 HFADMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H]1CCCC12OCCO2 ZINC000807131534 1080331624 /nfs/dbraw/zinc/33/16/24/1080331624.db2.gz VEQVUOOZKBWXKF-DZFGPLHGSA-N 1 1 401.551 2.992 20 0 HFADMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H]1CCCC12OCCO2 ZINC000807131534 1080331635 /nfs/dbraw/zinc/33/16/35/1080331635.db2.gz VEQVUOOZKBWXKF-DZFGPLHGSA-N 1 1 401.551 2.992 20 0 HFADMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)Cc3ccc(C)nc3Cl)cc2)CC1 ZINC000807198067 1080346101 /nfs/dbraw/zinc/34/61/01/1080346101.db2.gz CIBQQLYUEJWHRG-UHFFFAOYSA-N 1 1 400.910 2.889 20 0 HFADMO CC(=O)NCC[C@@H]1CCCN(C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000807202928 1080349629 /nfs/dbraw/zinc/34/96/29/1080349629.db2.gz IDPGNQLGGIELPO-JTHBVZDNSA-N 1 1 400.567 2.846 20 0 HFADMO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000807203309 1080351692 /nfs/dbraw/zinc/35/16/92/1080351692.db2.gz LVWIFYDQTXTNKD-SIKLNZKXSA-N 1 1 402.539 2.819 20 0 HFADMO CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H](c3ccccn3)C2)CC1 ZINC001170519399 1080379866 /nfs/dbraw/zinc/37/98/66/1080379866.db2.gz PQTSOJRXPQZEAW-FQEVSTJZSA-N 1 1 400.567 2.662 20 0 HFADMO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1nc(Br)sc1C1CC1 ZINC000807265316 1080417515 /nfs/dbraw/zinc/41/75/15/1080417515.db2.gz YJQRXMITNDYLSG-LLVKDONJSA-N 1 1 401.374 2.539 20 0 HFADMO CC1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@H]3CC[N@@H+]3C(C)(C)C)s2)CC1 ZINC001130895355 1080431772 /nfs/dbraw/zinc/43/17/72/1080431772.db2.gz NLMXWTXMYRPVGV-OAHLLOKOSA-N 1 1 413.609 2.771 20 0 HFADMO CC1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@H]3CC[N@H+]3C(C)(C)C)s2)CC1 ZINC001130895355 1080431778 /nfs/dbraw/zinc/43/17/78/1080431778.db2.gz NLMXWTXMYRPVGV-OAHLLOKOSA-N 1 1 413.609 2.771 20 0 HFADMO CCOC(=O)C1C[N@@H+](Cc2ccccc2)CCC1=Nc1nc(Cl)nc2c1CNC2 ZINC001170521490 1080463040 /nfs/dbraw/zinc/46/30/40/1080463040.db2.gz IJXYXQKDVMYIIQ-UHFFFAOYSA-N 1 1 413.909 2.868 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H](N(C(=O)NCc2c[nH+]c3n2CCCC3)C2CC2)C1 ZINC000807264388 1080471398 /nfs/dbraw/zinc/47/13/98/1080471398.db2.gz KEZRUROUAHTZLL-MRXNPFEDSA-N 1 1 403.527 2.903 20 0 HFADMO C[C@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(OC(F)(F)F)c1 ZINC000807364395 1080544814 /nfs/dbraw/zinc/54/48/14/1080544814.db2.gz KKWZYTFBSYWUNS-WWTUQBGBSA-N 1 1 413.440 2.894 20 0 HFADMO Cc1ccc([C@H](O)[C@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)cc1 ZINC000807342418 1080547602 /nfs/dbraw/zinc/54/76/02/1080547602.db2.gz XDQAJSFCHISSLO-IFXJQAMLSA-N 1 1 403.910 2.887 20 0 HFADMO C[C@H](c1ccc(NC(=O)C(=O)Nc2ccc(F)c([C@H](C)O)c2)cc1)[NH+]1CCOCC1 ZINC000807396275 1080561468 /nfs/dbraw/zinc/56/14/68/1080561468.db2.gz KVIQVXULHRFUSP-CABCVRRESA-N 1 1 415.465 2.849 20 0 HFADMO CCOC(=O)C1=C(Nc2ccc(OC3C[NH2+]C3)cn2)CCN(Cc2ccccc2)C1 ZINC001170522494 1080577520 /nfs/dbraw/zinc/57/75/20/1080577520.db2.gz MKVMLRZLLHWDQX-UHFFFAOYSA-N 1 1 408.502 2.567 20 0 HFADMO Cc1cc2cc(CNC(=O)C(=O)Nc3ccc(N4CCC[N@H+](C)CC4)cc3)ccc2[nH]1 ZINC000807415019 1080613844 /nfs/dbraw/zinc/61/38/44/1080613844.db2.gz MJMORYNLVMCCFX-UHFFFAOYSA-N 1 1 419.529 2.873 20 0 HFADMO C[C@@H](NC(=O)C(=O)N(C)C1CCCCCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000807470543 1080652096 /nfs/dbraw/zinc/65/20/96/1080652096.db2.gz PYROKWVWILNCQX-KNQAVFIVSA-N 1 1 415.578 2.963 20 0 HFADMO C[C@@H](NC(=O)C(=O)N(C)C1CCCCCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000807470543 1080652102 /nfs/dbraw/zinc/65/21/02/1080652102.db2.gz PYROKWVWILNCQX-KNQAVFIVSA-N 1 1 415.578 2.963 20 0 HFADMO CN(C(=O)C(=O)NCC[C@](C)(O)c1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000807498866 1080696248 /nfs/dbraw/zinc/69/62/48/1080696248.db2.gz ZAXLGRLBEIIIJT-DHLKQENFSA-N 1 1 423.557 2.523 20 0 HFADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(=O)NCC[C@](C)(O)c2ccccc2)cc1 ZINC000807502095 1080700015 /nfs/dbraw/zinc/70/00/15/1080700015.db2.gz YUHZJRVATBXFPS-OSPHWJPCSA-N 1 1 420.513 2.772 20 0 HFADMO C[C@H]1[C@@H](NC(=O)C(=O)Nc2cccc(Br)n2)CC[N@H+]1Cc1ccccc1 ZINC000807543218 1080758287 /nfs/dbraw/zinc/75/82/87/1080758287.db2.gz KQWYEAPTFCASGE-ZFWWWQNUSA-N 1 1 417.307 2.562 20 0 HFADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCc1c(C)cccc1F ZINC000807522183 1080774180 /nfs/dbraw/zinc/77/41/80/1080774180.db2.gz SSCHZXLHOFENTD-IBGZPJMESA-N 1 1 412.509 2.658 20 0 HFADMO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000747406053 1080791884 /nfs/dbraw/zinc/79/18/84/1080791884.db2.gz VQGSKXWTIFJMOY-INIZCTEOSA-N 1 1 403.552 2.575 20 0 HFADMO CON(Cc1ccccc1)C(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000807582559 1080793663 /nfs/dbraw/zinc/79/36/63/1080793663.db2.gz PZPHALCYLPFZTD-IEBWSBKVSA-N 1 1 401.532 2.837 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000807560592 1080817474 /nfs/dbraw/zinc/81/74/74/1080817474.db2.gz SVQWCHNXCRIVGQ-GOSISDBHSA-N 1 1 414.937 2.640 20 0 HFADMO COc1cc2nc(C[NH2+][C@](C)(CO)Cc3ccccc3F)[nH]c(=O)c2cc1OC ZINC001308117880 1126163571 /nfs/dbraw/zinc/16/35/71/1126163571.db2.gz OIVNUZVBIJTLRG-NRFANRHFSA-N 1 1 401.438 2.575 20 0 HFADMO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1nc2ncc(Br)cn2n1 ZINC001460868567 1126193066 /nfs/dbraw/zinc/19/30/66/1126193066.db2.gz LIRWSWMGXRCIDL-MRXNPFEDSA-N 1 1 410.703 2.624 20 0 HFADMO COC(=O)c1nc2cnccc2c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164629781 719083729 /nfs/dbraw/zinc/08/37/29/719083729.db2.gz ZATPHLDRJJGNBM-FXAWDEMLSA-N 1 1 403.486 2.912 20 0 HFADMO CCOC(=O)c1cnc(Cl)nc1N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001164648978 719307155 /nfs/dbraw/zinc/30/71/55/719307155.db2.gz SKYCHGNZNRVJFF-UHFFFAOYSA-N 1 1 406.918 2.708 20 0 HFADMO COC(=O)c1ccc2nc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)ncc2c1 ZINC001164648912 719308465 /nfs/dbraw/zinc/30/84/65/719308465.db2.gz RZCDVFAPIQEQTC-UHFFFAOYSA-N 1 1 408.506 2.818 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cc(Cl)nc(Cl)n1)CC2 ZINC001164684043 719700975 /nfs/dbraw/zinc/70/09/75/719700975.db2.gz MVEJWQBROMGXDZ-UHFFFAOYSA-N 1 1 408.280 2.509 20 0 HFADMO Cc1nc(CN2CCCC23CCN(c2ccc(N4CC[NH2+]CC4)cn2)CC3)cs1 ZINC001164693099 719811916 /nfs/dbraw/zinc/81/19/16/719811916.db2.gz UOMXHASGQCAWIG-UHFFFAOYSA-N 1 1 412.607 2.891 20 0 HFADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2ccc(F)cc21 ZINC001164696994 719842971 /nfs/dbraw/zinc/84/29/71/719842971.db2.gz BLEWZHBOPDMOJZ-JLTOFOAXSA-N 1 1 422.888 2.655 20 0 HFADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc2c(Cl)ccnc21 ZINC001164707013 719843942 /nfs/dbraw/zinc/84/39/42/719843942.db2.gz YUYCUMXRQBVJMT-VLIAUNLRSA-N 1 1 404.898 2.516 20 0 HFADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)nc2cc(Cl)ccc21 ZINC001164701010 719855589 /nfs/dbraw/zinc/85/55/89/719855589.db2.gz IZXFBRWEUASULX-KKSFZXQISA-N 1 1 418.925 2.824 20 0 HFADMO NC(=O)c1cc(Cl)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164694636 719886530 /nfs/dbraw/zinc/88/65/30/719886530.db2.gz BNHNQHHQFOVVSZ-UHFFFAOYSA-N 1 1 406.939 2.767 20 0 HFADMO CN(C)C(=O)c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1 ZINC001164694748 719890758 /nfs/dbraw/zinc/89/07/58/719890758.db2.gz DXJCSAGSCCKDPS-UHFFFAOYSA-N 1 1 400.548 2.716 20 0 HFADMO CCOC(=O)c1cnc(SC)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001164807870 720070800 /nfs/dbraw/zinc/07/08/00/720070800.db2.gz GFJUJJNRMUDSKK-KKSFZXQISA-N 1 1 420.579 2.560 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc3cc(C(=O)OC)ccc3n1)C2 ZINC001164812319 720084026 /nfs/dbraw/zinc/08/40/26/720084026.db2.gz QOOJAZSQNRLYPZ-XXBNENTESA-N 1 1 410.518 2.601 20 0 HFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(C(=O)OC)n1)CC2 ZINC001164710072 720097091 /nfs/dbraw/zinc/09/70/91/720097091.db2.gz GQOWDVGINLKEJF-IBGZPJMESA-N 1 1 410.518 2.771 20 0 HFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cnccc31)CC2 ZINC001164711091 720102183 /nfs/dbraw/zinc/10/21/83/720102183.db2.gz OAEMXTKXCWBQPR-LJQANCHMSA-N 1 1 404.518 2.927 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(C(=O)N(C)OC)cc(Cl)n1)C2 ZINC001164816501 720121987 /nfs/dbraw/zinc/12/19/87/720121987.db2.gz ZKCLMNSIXAOWGV-DYESRHJHSA-N 1 1 422.957 2.553 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3cnccc3cc1C(=O)OC)C2 ZINC001164816522 720126310 /nfs/dbraw/zinc/12/63/10/720126310.db2.gz ZUSMJNRBXWJVLP-JPYJTQIMSA-N 1 1 410.518 2.601 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(OC)cc(OC)c31)C2 ZINC001164807406 720126691 /nfs/dbraw/zinc/12/66/91/720126691.db2.gz CGHPLMDRIBSUKU-UZUQRXQVSA-N 1 1 412.534 2.832 20 0 HFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-n3ccnc3)nn1)CC2 ZINC001164714562 720128487 /nfs/dbraw/zinc/12/84/87/720128487.db2.gz XGMOHPQMNMMWBR-HXUWFJFHSA-N 1 1 419.533 2.565 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(F)c(OC)cc31)C2 ZINC001164813889 720142702 /nfs/dbraw/zinc/14/27/02/720142702.db2.gz RMFXCFZIOKTKRA-AOMKIAJQSA-N 1 1 400.498 2.962 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(C(=O)NC(C)(C)C)ccn1)C2 ZINC001164813797 720148286 /nfs/dbraw/zinc/14/82/86/720148286.db2.gz QQUKIWYVOUAEEA-AUSIDOKSSA-N 1 1 400.567 2.795 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)nc1OC)C2 ZINC001164819726 720154701 /nfs/dbraw/zinc/15/47/01/720154701.db2.gz XXDQHMCEZXGRSG-KBXCAEBGSA-N 1 1 416.900 2.868 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4cc(C)ccc43)C2)C1 ZINC001164719828 720261191 /nfs/dbraw/zinc/26/11/91/720261191.db2.gz PJNAPOBXXARWOS-JOCHJYFZSA-N 1 1 416.953 2.861 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4cc(C)ccc43)C2)C1 ZINC001164719828 720261196 /nfs/dbraw/zinc/26/11/96/720261196.db2.gz PJNAPOBXXARWOS-JOCHJYFZSA-N 1 1 416.953 2.861 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C)c4cccc(Cl)c4n3)C2)C1 ZINC001164720937 720272681 /nfs/dbraw/zinc/27/26/81/720272681.db2.gz FRYCMPDAGVAPDK-QFIPXVFZSA-N 1 1 416.953 2.861 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C)c4cccc(Cl)c4n3)C2)C1 ZINC001164720937 720272693 /nfs/dbraw/zinc/27/26/93/720272693.db2.gz FRYCMPDAGVAPDK-QFIPXVFZSA-N 1 1 416.953 2.861 20 0 HFADMO CC(C)N1Cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)C1=O ZINC001164726386 720425992 /nfs/dbraw/zinc/42/59/92/720425992.db2.gz BVMFOASFKHLGRK-SJORKVTESA-N 1 1 412.925 2.742 20 0 HFADMO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731712 720444779 /nfs/dbraw/zinc/44/47/79/720444779.db2.gz MDICKLRMTHRMDX-STQMWFEESA-N 1 1 405.840 2.751 20 0 HFADMO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731712 720444785 /nfs/dbraw/zinc/44/47/85/720444785.db2.gz MDICKLRMTHRMDX-STQMWFEESA-N 1 1 405.840 2.751 20 0 HFADMO COC(=O)c1cc(F)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164834883 720512185 /nfs/dbraw/zinc/51/21/85/720512185.db2.gz HVOPCNVGXGCRRM-HHXXYDBFSA-N 1 1 401.486 2.582 20 0 HFADMO CSc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164832801 720524206 /nfs/dbraw/zinc/52/42/06/720524206.db2.gz BKNVRJMFMVCRLV-SOUVJXGZSA-N 1 1 407.975 2.821 20 0 HFADMO COC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ncc1F ZINC001164833761 720526481 /nfs/dbraw/zinc/52/64/81/720526481.db2.gz DQJRANIAQQNKPN-JTDSTZFVSA-N 1 1 401.486 2.582 20 0 HFADMO COC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(F)c1 ZINC001164839303 720533048 /nfs/dbraw/zinc/53/30/48/720533048.db2.gz QDYJJQQRFZEJEA-JENIJYKNSA-N 1 1 401.486 2.582 20 0 HFADMO CCOC(=O)Cc1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164834710 720545948 /nfs/dbraw/zinc/54/59/48/720545948.db2.gz FXHCJKAZCIVHBH-PCCBWWKXSA-N 1 1 411.550 2.762 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc4ccc(=O)n(C)c4n3)CC[C@@H]21 ZINC001164841470 720548343 /nfs/dbraw/zinc/54/83/43/720548343.db2.gz WBHGSDJHCWCXTF-AABGKKOBSA-N 1 1 406.534 2.508 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc4ncnc(Cl)c4n3)CC[C@@H]21 ZINC001164840178 720573652 /nfs/dbraw/zinc/57/36/52/720573652.db2.gz SAOMQOBXHHGGLS-ZOBUZTSGSA-N 1 1 412.929 2.648 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN([C@H](F)Oc3cncc(Cl)n3)CC[C@@H]21 ZINC001164837719 720634239 /nfs/dbraw/zinc/63/42/39/720634239.db2.gz IPRUYNIWJNCFGT-DRMAHVMPSA-N 1 1 408.909 2.832 20 0 HFADMO CCOC(=O)c1cncnc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164836977 720655517 /nfs/dbraw/zinc/65/55/17/720655517.db2.gz AMASVKVJVRXAEZ-LJQANCHMSA-N 1 1 410.518 2.913 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(Cn3cncn3)cn1)CC2 ZINC001164839741 720712410 /nfs/dbraw/zinc/71/24/10/720712410.db2.gz MSMULGOBPMUUMY-JOCHJYFZSA-N 1 1 418.545 2.981 20 0 HFADMO Fc1cccc(Oc2cncc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)c1 ZINC001164739430 720735389 /nfs/dbraw/zinc/73/53/89/720735389.db2.gz IOTYLPKFXAUJMZ-WMZOPIPTSA-N 1 1 408.437 2.540 20 0 HFADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744062 720758753 /nfs/dbraw/zinc/75/87/53/720758753.db2.gz RDSNKIVVDWITIX-CABCVRRESA-N 1 1 402.930 2.868 20 0 HFADMO Cc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1NCC1CC1 ZINC001164750393 720808357 /nfs/dbraw/zinc/80/83/57/720808357.db2.gz VLBVVEKUKFJZID-QHAWAJNXSA-N 1 1 422.581 2.578 20 0 HFADMO Cc1nc2ccsc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164750054 720809414 /nfs/dbraw/zinc/80/94/14/720809414.db2.gz VBZCJCANBGSZOO-YQVWRLOYSA-N 1 1 409.563 2.971 20 0 HFADMO Fc1ccc2c(c1)ncnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743348 720814362 /nfs/dbraw/zinc/81/43/62/720814362.db2.gz FGDPWKDWMXXHDP-PLMTUMEDSA-N 1 1 407.497 2.740 20 0 HFADMO Clc1ncnc2[nH]cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c21 ZINC001164745520 720815059 /nfs/dbraw/zinc/81/50/59/720815059.db2.gz KROJOIMNSWALLY-BZUAXINKSA-N 1 1 412.929 2.534 20 0 HFADMO Clc1ncnc2[nH]cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c21 ZINC001164745518 720815076 /nfs/dbraw/zinc/81/50/76/720815076.db2.gz KROJOIMNSWALLY-ARFHVFGLSA-N 1 1 412.929 2.534 20 0 HFADMO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(C)c1 ZINC001164738140 720820600 /nfs/dbraw/zinc/82/06/00/720820600.db2.gz DUBKTSAVQMNNGB-PCCBWWKXSA-N 1 1 424.549 2.538 20 0 HFADMO Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2ccccc12 ZINC001164738830 720824857 /nfs/dbraw/zinc/82/48/57/720824857.db2.gz GWSPLVZROSJPNM-CNNODRBYSA-N 1 1 403.534 2.909 20 0 HFADMO Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2ccccc12 ZINC001164738833 720824958 /nfs/dbraw/zinc/82/49/58/720824958.db2.gz GWSPLVZROSJPNM-XQBPLPMBSA-N 1 1 403.534 2.909 20 0 HFADMO F[C@H](Oc1cccc(Cl)n1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737669 720828935 /nfs/dbraw/zinc/82/89/35/720828935.db2.gz BLYKSKQJKSHMRO-YZLZLFLDSA-N 1 1 420.920 2.833 20 0 HFADMO COc1ccc2ncc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1 ZINC001164746155 720829462 /nfs/dbraw/zinc/82/94/62/720829462.db2.gz YBPSVZLAKCRMBG-NPPFBWRTSA-N 1 1 419.533 2.609 20 0 HFADMO Cc1nc(Cl)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1C ZINC001164737431 720829587 /nfs/dbraw/zinc/82/95/87/720829587.db2.gz BCCCVJVGIVHEMB-KZNAEPCWSA-N 1 1 401.946 2.718 20 0 HFADMO COc1cccc2cnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc21 ZINC001164739227 720830579 /nfs/dbraw/zinc/83/05/79/720830579.db2.gz HVVYTLQHMYMCDE-HSALFYBXSA-N 1 1 419.533 2.609 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)nc3Cl)CC[C@@H]2C1 ZINC001164855261 720834239 /nfs/dbraw/zinc/83/42/39/720834239.db2.gz SYVUSFPMECLQQH-YPMHNXCESA-N 1 1 411.280 2.502 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(SC)n3)CC[C@@H]2C1 ZINC001164854271 720836645 /nfs/dbraw/zinc/83/66/45/720836645.db2.gz QWZFFUJXGMOKCY-OLZOCXBDSA-N 1 1 422.929 2.570 20 0 HFADMO Fc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ncc2c1 ZINC001164748044 720840663 /nfs/dbraw/zinc/84/06/63/720840663.db2.gz SIXMLXJBQADMHP-FBBABVLZSA-N 1 1 407.497 2.740 20 0 HFADMO COc1nnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2ccccc21 ZINC001164748015 720846667 /nfs/dbraw/zinc/84/66/67/720846667.db2.gz SETUTENOHPLPPY-DBXWQHBBSA-N 1 1 419.533 2.609 20 0 HFADMO COc1cccc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c21 ZINC001164744746 720849099 /nfs/dbraw/zinc/84/90/99/720849099.db2.gz LPBXQASSUNIXSI-CMKODMSKSA-N 1 1 419.533 2.609 20 0 HFADMO c1ncn(C[C@H]2C[C@H]3CN(c4ccc(-c5ccncc5)nn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164748129 720852398 /nfs/dbraw/zinc/85/23/98/720852398.db2.gz KJLRMVUCPRBVCR-TUNNFDKTSA-N 1 1 416.533 2.510 20 0 HFADMO CCOC(=O)c1cc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@H]3C2)nc2ccccc21 ZINC001164854959 720853533 /nfs/dbraw/zinc/85/35/33/720853533.db2.gz LWBVMJSCCSZHCN-UTKZUKDTSA-N 1 1 413.518 2.585 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3cc(-c4nc(C(C)(C)C)no4)ccn3)CC[C@@H]2C1 ZINC001164857415 720870769 /nfs/dbraw/zinc/87/07/69/720870769.db2.gz QTAXYUMQCZJRKV-MSOLQXFVSA-N 1 1 415.538 2.603 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nccc(Oc4ccc(F)cc4)n3)CC[C@@H]2C1 ZINC001164862201 720880495 /nfs/dbraw/zinc/88/04/95/720880495.db2.gz RGAPVUMFSQYDGQ-VQIMIIECSA-N 1 1 402.470 2.582 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncccc3OCc3ccc(F)cc3)CC[C@H]2C1 ZINC001164864700 720881338 /nfs/dbraw/zinc/88/13/38/720881338.db2.gz WNCUVWTYNKNWBV-SIKLNZKXSA-N 1 1 415.509 2.973 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3ccc(-c4c(F)cccc4F)nn3)CC[C@H]2C1 ZINC001164857636 720881571 /nfs/dbraw/zinc/88/15/71/720881571.db2.gz KCDNWITWBTVRLY-KXBFYZLASA-N 1 1 404.461 2.595 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nnc(-c4cccc(F)c4)cc3C)CC[C@H]2C1 ZINC001164856739 720888082 /nfs/dbraw/zinc/88/80/82/720888082.db2.gz JDBSONJEFXVHAX-GHTZIAJQSA-N 1 1 400.498 2.765 20 0 HFADMO FC(F)(c1c2c(nnc1Cl)CCC2)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164864465 721033525 /nfs/dbraw/zinc/03/35/25/721033525.db2.gz ZUYAJMWULUQGPV-UHFFFAOYSA-N 1 1 419.867 2.668 20 0 HFADMO Cn1cc(C(=O)N2CC[C@@H]3[C@H]2CCN3c2nc(Cl)ccc2C[NH+]2CCCC2)cn1 ZINC001164760267 721036538 /nfs/dbraw/zinc/03/65/38/721036538.db2.gz CILAPXAMHNIOKU-QZTJIDSGSA-N 1 1 414.941 2.558 20 0 HFADMO Cc1nc(Cl)cc(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164868139 721060781 /nfs/dbraw/zinc/06/07/81/721060781.db2.gz MXHAMERHLBOQAU-CVEARBPZSA-N 1 1 409.868 2.858 20 0 HFADMO Cc1nc(Cl)cc(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164868142 721061264 /nfs/dbraw/zinc/06/12/64/721061264.db2.gz MXHAMERHLBOQAU-JKSUJKDBSA-N 1 1 409.868 2.858 20 0 HFADMO Cc1nc(Cl)cc(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164868141 721061472 /nfs/dbraw/zinc/06/14/72/721061472.db2.gz MXHAMERHLBOQAU-HZPDHXFCSA-N 1 1 409.868 2.858 20 0 HFADMO COC(=O)c1ccc2ccnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164865558 721076230 /nfs/dbraw/zinc/07/62/30/721076230.db2.gz MVQYPCXSHCAOJI-LEWJYISDSA-N 1 1 418.497 2.896 20 0 HFADMO CCOC(=O)c1cc2ccnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2[nH]1 ZINC001164865511 721076808 /nfs/dbraw/zinc/07/68/08/721076808.db2.gz MDOBNKLTTTUDLB-OALUTQOASA-N 1 1 421.501 2.614 20 0 HFADMO CCOc1ccc2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164865434 721096196 /nfs/dbraw/zinc/09/61/96/721096196.db2.gz LHUXLQRJCJMPRD-AZUAARDMSA-N 1 1 405.502 2.903 20 0 HFADMO COC(=O)c1cc2ccccc2nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164863466 721112751 /nfs/dbraw/zinc/11/27/51/721112751.db2.gz CIKRKHNFOAHZLN-VQTJNVASSA-N 1 1 418.497 2.896 20 0 HFADMO COC(=O)c1ccc2ccnc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164764825 721113628 /nfs/dbraw/zinc/11/36/28/721113628.db2.gz IBXVCDASRWVIQM-WOJBJXKFSA-N 1 1 405.502 2.713 20 0 HFADMO COc1ccc2nc(Cl)cc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2n1 ZINC001164765674 721142993 /nfs/dbraw/zinc/14/29/93/721142993.db2.gz KBJQVIUKBXVWBG-CVEARBPZSA-N 1 1 412.925 2.984 20 0 HFADMO CSc1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(SC)n1 ZINC001164869309 721188918 /nfs/dbraw/zinc/18/89/18/721188918.db2.gz QFSBUMNRRDXWGD-HZPDHXFCSA-N 1 1 403.577 2.795 20 0 HFADMO COc1ccccc1-c1cc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)ncn1 ZINC001164762638 721210789 /nfs/dbraw/zinc/21/07/89/721210789.db2.gz DBTCDFITVPVJRV-RTBURBONSA-N 1 1 404.518 2.844 20 0 HFADMO Cc1nc(-c2ccncc2)nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1C ZINC001164768442 721219626 /nfs/dbraw/zinc/21/96/26/721219626.db2.gz KZSKSDTVVNTGNB-SFTDATJTSA-N 1 1 403.534 2.847 20 0 HFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(Cl)nc4sccc43)CC2)C1 ZINC001164868514 721269584 /nfs/dbraw/zinc/26/95/84/721269584.db2.gz ABBPZWLJFJLDQH-UHFFFAOYSA-N 1 1 422.982 2.957 20 0 HFADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)nc2N1C1CCCC1 ZINC001164773157 721288561 /nfs/dbraw/zinc/28/85/61/721288561.db2.gz NYHVNXKYDQJUAF-LJQANCHMSA-N 1 1 424.593 2.903 20 0 HFADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)CC2 ZINC001164880801 721324891 /nfs/dbraw/zinc/32/48/91/721324891.db2.gz ZRYMDCLHNCLNJF-UHFFFAOYSA-N 1 1 414.888 2.910 20 0 HFADMO Cc1cccc(N(c2cccc(N3CCN(C)CC3)n2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164778010 721329462 /nfs/dbraw/zinc/32/94/62/721329462.db2.gz SNYORAPQTGBRCQ-XUZZJYLKSA-N 1 1 407.562 2.801 20 0 HFADMO COc1nc(Cl)cc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164778012 721333840 /nfs/dbraw/zinc/33/38/40/721333840.db2.gz SQBQYOXZPXMVGZ-FQEVSTJZSA-N 1 1 421.929 2.862 20 0 HFADMO COc1nc(Cl)cc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164778012 721333843 /nfs/dbraw/zinc/33/38/43/721333843.db2.gz SQBQYOXZPXMVGZ-FQEVSTJZSA-N 1 1 421.929 2.862 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc4c(n3)CCCN4)C2)C1 ZINC001164777113 721350379 /nfs/dbraw/zinc/35/03/79/721350379.db2.gz DWEHWQCXLXMSKG-JOCHJYFZSA-N 1 1 412.538 2.559 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc4c(n3)CCCN4)C2)C1 ZINC001164777113 721350382 /nfs/dbraw/zinc/35/03/82/721350382.db2.gz DWEHWQCXLXMSKG-JOCHJYFZSA-N 1 1 412.538 2.559 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)nc4c3CCC4)C2)C1 ZINC001164779929 721361312 /nfs/dbraw/zinc/36/13/12/721361312.db2.gz ASMKHBCGAZCNGF-QHCPKHFHSA-N 1 1 411.550 2.998 20 0 HFADMO Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cc(C[NH+](C)C)ccn3)C2)C1 ZINC001164784136 721370401 /nfs/dbraw/zinc/37/04/01/721370401.db2.gz QLYWYIBTKVTXAC-QHCPKHFHSA-N 1 1 413.566 2.867 20 0 HFADMO Cc1csc2ncnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c12 ZINC001164886270 721380894 /nfs/dbraw/zinc/38/08/94/721380894.db2.gz DVOIBPGTONCCBM-LAUBAEHRSA-N 1 1 401.580 2.765 20 0 HFADMO Cc1csc2ncnc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c12 ZINC001164886275 721381010 /nfs/dbraw/zinc/38/10/10/721381010.db2.gz DVOIBPGTONCCBM-UWJYYQICSA-N 1 1 401.580 2.765 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)nc(C5CC5)n4)C3)O2)CC1 ZINC001164888602 721389054 /nfs/dbraw/zinc/38/90/54/721389054.db2.gz KIYCZTOLXZUJHF-LAUBAEHRSA-N 1 1 405.974 2.773 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccnc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164885700 721390602 /nfs/dbraw/zinc/39/06/02/721390602.db2.gz DDJBPDAJFCEOKX-URXFXBBRSA-N 1 1 407.562 2.909 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)nc5c4CCC5)C3)O2)CC1 ZINC001164892840 721397506 /nfs/dbraw/zinc/39/75/06/721397506.db2.gz TXRUSRMRYXABTR-HTAPYJJXSA-N 1 1 404.986 2.989 20 0 HFADMO CC(C)(C)OC(=O)Nc1nccc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164784339 721403586 /nfs/dbraw/zinc/40/35/86/721403586.db2.gz JPRWPAQMONGNGC-OKILXGFUSA-N 1 1 402.524 2.848 20 0 HFADMO CC(C)(C)OC(=O)Nc1nccc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164784339 721403587 /nfs/dbraw/zinc/40/35/87/721403587.db2.gz JPRWPAQMONGNGC-OKILXGFUSA-N 1 1 402.524 2.848 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5ncsc54)C3)O2)CC1 ZINC001164886555 721413715 /nfs/dbraw/zinc/41/37/15/721413715.db2.gz JXJOEVZWTHZOTG-AUUYWEPGSA-N 1 1 422.986 2.505 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5[nH]c6ccccc6c54)C3)O2)CC1 ZINC001164892506 721417218 /nfs/dbraw/zinc/41/72/18/721417218.db2.gz YPECOUBUILWDML-MHECFPHRSA-N 1 1 420.561 2.877 20 0 HFADMO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164781807 721421539 /nfs/dbraw/zinc/42/15/39/721421539.db2.gz FGKGSZAYAJEMSO-AOOOYVTPSA-N 1 1 403.911 2.988 20 0 HFADMO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164781807 721421540 /nfs/dbraw/zinc/42/15/40/721421540.db2.gz FGKGSZAYAJEMSO-AOOOYVTPSA-N 1 1 403.911 2.988 20 0 HFADMO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164781808 721421936 /nfs/dbraw/zinc/42/19/36/721421936.db2.gz FGKGSZAYAJEMSO-NXEZZACHSA-N 1 1 403.911 2.988 20 0 HFADMO C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)nc2)C1 ZINC001164783707 721426109 /nfs/dbraw/zinc/42/61/09/721426109.db2.gz JNJBRFJZGFAIGO-BHIYHBOVSA-N 1 1 411.575 2.978 20 0 HFADMO NC(=S)c1cnc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c2sccc21 ZINC001164788114 721439250 /nfs/dbraw/zinc/43/92/50/721439250.db2.gz YZTGFGXBRQDUPE-TXEJJXNPSA-N 1 1 401.586 2.955 20 0 HFADMO NC(=S)c1cnc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c2sccc21 ZINC001164788114 721439251 /nfs/dbraw/zinc/43/92/51/721439251.db2.gz YZTGFGXBRQDUPE-TXEJJXNPSA-N 1 1 401.586 2.955 20 0 HFADMO Cc1cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(-c2ccco2)n1 ZINC001164895811 721440380 /nfs/dbraw/zinc/44/03/80/721440380.db2.gz PXOMHAVFJQMFIA-XXBNENTESA-N 1 1 411.550 2.810 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(NC(C)=O)n1)CC2 ZINC001164786801 721459294 /nfs/dbraw/zinc/45/92/94/721459294.db2.gz PLGGVBBRLDOHFF-HXUWFJFHSA-N 1 1 416.566 2.774 20 0 HFADMO O=C(C[C@]12COC[C@H]1CN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2)NCC1CC1 ZINC001164893885 721482641 /nfs/dbraw/zinc/48/26/41/721482641.db2.gz FNJGNMFXCJLRQQ-GCJKJVERSA-N 1 1 418.969 2.700 20 0 HFADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(S(C)(=O)=O)cn1)CC2 ZINC001164795050 721499536 /nfs/dbraw/zinc/49/95/36/721499536.db2.gz BPQSMAOSWHMZLF-UHFFFAOYSA-N 1 1 400.548 2.761 20 0 HFADMO COC(=O)c1ccc2cnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2c1 ZINC001164900744 721517215 /nfs/dbraw/zinc/51/72/15/721517215.db2.gz UNAWGNXOIBQQFE-UYAOXDASSA-N 1 1 422.460 2.897 20 0 HFADMO COC(=O)c1cccc2nc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)ncc21 ZINC001164900682 721524801 /nfs/dbraw/zinc/52/48/01/721524801.db2.gz SYOQONIEYZQGEO-FUHWJXTLSA-N 1 1 422.460 2.897 20 0 HFADMO CCOC(=O)/C=C/c1cccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164810698 721530317 /nfs/dbraw/zinc/53/03/17/721530317.db2.gz YBIXTFJXIDMEJS-FNSFZGIJSA-N 1 1 422.529 2.921 20 0 HFADMO CCOC(=O)c1cc(F)cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164805167 721535838 /nfs/dbraw/zinc/53/58/38/721535838.db2.gz LADMBDALIPPHDL-AABGKKOBSA-N 1 1 414.481 2.661 20 0 HFADMO CCOC(=O)c1cc(F)cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164805167 721535843 /nfs/dbraw/zinc/53/58/43/721535843.db2.gz LADMBDALIPPHDL-AABGKKOBSA-N 1 1 414.481 2.661 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3ncccc32)[C@@H]2CCCO[C@H]12 ZINC001164802352 721535925 /nfs/dbraw/zinc/53/59/25/721535925.db2.gz GCJZMDZWEQLWED-KURKYZTESA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3ncccc32)[C@@H]2CCCO[C@H]12 ZINC001164802352 721535929 /nfs/dbraw/zinc/53/59/29/721535929.db2.gz GCJZMDZWEQLWED-KURKYZTESA-N 1 1 410.909 2.941 20 0 HFADMO CCOC(=O)c1cc(C)cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164805987 721537296 /nfs/dbraw/zinc/53/72/96/721537296.db2.gz NEFJPCKNPBBXTM-ONTIZHBOSA-N 1 1 410.518 2.830 20 0 HFADMO COC(=O)c1cc(Cl)cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164807752 721538186 /nfs/dbraw/zinc/53/81/86/721538186.db2.gz QYUFPHPJKXHCSW-WSTZPKSXSA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1cc(Cl)cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164807752 721538191 /nfs/dbraw/zinc/53/81/91/721538191.db2.gz QYUFPHPJKXHCSW-WSTZPKSXSA-N 1 1 416.909 2.785 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cccnc32)[C@H]2CCCO[C@@H]12 ZINC001164805974 721539057 /nfs/dbraw/zinc/53/90/57/721539057.db2.gz NCFSGXGIPWIPPU-YQVWRLOYSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cccnc32)[C@H]2CCCO[C@@H]12 ZINC001164805974 721539060 /nfs/dbraw/zinc/53/90/60/721539060.db2.gz NCFSGXGIPWIPPU-YQVWRLOYSA-N 1 1 410.909 2.941 20 0 HFADMO CCOc1ccc(C(=O)OC)c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164911028 721539571 /nfs/dbraw/zinc/53/95/71/721539571.db2.gz VEMMPUYVCFQIHM-WMZOPIPTSA-N 1 1 415.465 2.748 20 0 HFADMO COc1nc2ccccc2nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164802552 721539769 /nfs/dbraw/zinc/53/97/69/721539769.db2.gz GZPIJNHEQABVPH-PCCBWWKXSA-N 1 1 405.502 2.902 20 0 HFADMO COc1nc2ccccc2nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164802552 721539772 /nfs/dbraw/zinc/53/97/72/721539772.db2.gz GZPIJNHEQABVPH-PCCBWWKXSA-N 1 1 405.502 2.902 20 0 HFADMO COc1ccc2cnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc2c1 ZINC001164806061 721544600 /nfs/dbraw/zinc/54/46/00/721544600.db2.gz NPDPSGIFUOPFID-BHIFYINESA-N 1 1 405.502 2.902 20 0 HFADMO COc1ccc2cnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc2c1 ZINC001164806061 721544607 /nfs/dbraw/zinc/54/46/07/721544607.db2.gz NPDPSGIFUOPFID-BHIFYINESA-N 1 1 405.502 2.902 20 0 HFADMO COC(=O)c1cc2c[nH]c(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)cc-2n1 ZINC001164910371 721548702 /nfs/dbraw/zinc/54/87/02/721548702.db2.gz UMIMVTYCHPVIJD-FUHWJXTLSA-N 1 1 410.449 2.831 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3cccnc32)[C@@H]2CCCO[C@H]12 ZINC001164803191 721554675 /nfs/dbraw/zinc/55/46/75/721554675.db2.gz JSUCWKLGPKYNOI-LMMKCTJWSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3cccnc32)[C@@H]2CCCO[C@H]12 ZINC001164803191 721554679 /nfs/dbraw/zinc/55/46/79/721554679.db2.gz JSUCWKLGPKYNOI-LMMKCTJWSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3cccnc32)[C@H]2CCCO[C@@H]12 ZINC001164803196 721554820 /nfs/dbraw/zinc/55/48/20/721554820.db2.gz JSUCWKLGPKYNOI-YQVWRLOYSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3cccnc32)[C@H]2CCCO[C@@H]12 ZINC001164803196 721554823 /nfs/dbraw/zinc/55/48/23/721554823.db2.gz JSUCWKLGPKYNOI-YQVWRLOYSA-N 1 1 410.909 2.941 20 0 HFADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4cc(N5CCSCC5)ncn4)CC[N@H+]3C2)c1 ZINC001164903100 721560798 /nfs/dbraw/zinc/56/07/98/721560798.db2.gz AKRFZPWFIFPNBI-HKUYNNGSSA-N 1 1 415.538 2.511 20 0 HFADMO CCOC(=O)c1cnc(CC)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903483 721562627 /nfs/dbraw/zinc/56/26/27/721562627.db2.gz BJKRRHCBEDRTDP-WMZOPIPTSA-N 1 1 414.481 2.697 20 0 HFADMO COC(=O)/C=C\c1cc(C)cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164800282 721570331 /nfs/dbraw/zinc/57/03/31/721570331.db2.gz DMTQNVHCVYVHCB-QCHDKYKPSA-N 1 1 422.529 2.839 20 0 HFADMO COC(=O)c1cc2c[nH]c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)cc-2n1 ZINC001164809423 721571401 /nfs/dbraw/zinc/57/14/01/721571401.db2.gz XETMFEDXMCQLPF-URVUXULASA-N 1 1 421.501 2.613 20 0 HFADMO CCOCc1cnc(Cl)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164809355 721572101 /nfs/dbraw/zinc/57/21/01/721572101.db2.gz WNAMEVSBJNQCCC-FHWLQOOXSA-N 1 1 417.941 2.930 20 0 HFADMO CCOCc1cnc(Cl)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164809355 721572103 /nfs/dbraw/zinc/57/21/03/721572103.db2.gz WNAMEVSBJNQCCC-FHWLQOOXSA-N 1 1 417.941 2.930 20 0 HFADMO CCOCc1cnc(Cl)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164809360 721572117 /nfs/dbraw/zinc/57/21/17/721572117.db2.gz WNAMEVSBJNQCCC-QYZOEREBSA-N 1 1 417.941 2.930 20 0 HFADMO CCOCc1cnc(Cl)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164809360 721572118 /nfs/dbraw/zinc/57/21/18/721572118.db2.gz WNAMEVSBJNQCCC-QYZOEREBSA-N 1 1 417.941 2.930 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(N3CCCCC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164802931 721575081 /nfs/dbraw/zinc/57/50/81/721575081.db2.gz IVCFXYATLQDHJG-KCZVDYSFSA-N 1 1 408.550 2.730 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(N3CCCCC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164802937 721575413 /nfs/dbraw/zinc/57/54/13/721575413.db2.gz IVCFXYATLQDHJG-TUNNFDKTSA-N 1 1 408.550 2.730 20 0 HFADMO CN(Cc1cccnc1)[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)[C@@H]2CCCO[C@H]12 ZINC001164805665 721575880 /nfs/dbraw/zinc/57/58/80/721575880.db2.gz OKCHQVHZGWMKAW-AKFKNWHVSA-N 1 1 407.562 2.941 20 0 HFADMO COc1cccc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c21 ZINC001164802516 721580276 /nfs/dbraw/zinc/58/02/76/721580276.db2.gz GGFSMSFFFUKPBA-DXIQSLLYSA-N 1 1 405.502 2.902 20 0 HFADMO COc1cccc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c21 ZINC001164802516 721580277 /nfs/dbraw/zinc/58/02/77/721580277.db2.gz GGFSMSFFFUKPBA-DXIQSLLYSA-N 1 1 405.502 2.902 20 0 HFADMO Cc1noc(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc2)n1 ZINC001164808884 721581020 /nfs/dbraw/zinc/58/10/20/721581020.db2.gz RDGIALOLOAQKJD-ZJOUEHCJSA-N 1 1 406.490 2.703 20 0 HFADMO Cc1noc(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc2)n1 ZINC001164808884 721581022 /nfs/dbraw/zinc/58/10/22/721581022.db2.gz RDGIALOLOAQKJD-ZJOUEHCJSA-N 1 1 406.490 2.703 20 0 HFADMO CN(Cc1cccnc1)[C@H]1CN(c2ccc(C[N@H+](C)C3CC3)cn2)[C@@H]2CCCO[C@@H]21 ZINC001164812239 721583211 /nfs/dbraw/zinc/58/32/11/721583211.db2.gz ZRBSUOZLEQKNED-GPXNEJASSA-N 1 1 407.562 2.939 20 0 HFADMO CN(Cc1cccnc1)[C@H]1CN(c2ccc(C[N@@H+](C)C3CC3)cn2)[C@@H]2CCCO[C@@H]21 ZINC001164812239 721583214 /nfs/dbraw/zinc/58/32/14/721583214.db2.gz ZRBSUOZLEQKNED-GPXNEJASSA-N 1 1 407.562 2.939 20 0 HFADMO NC(=O)c1cnc(Cl)cc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907512 721586378 /nfs/dbraw/zinc/58/63/78/721586378.db2.gz UZNAPEPMJUXVDH-LJQANCHMSA-N 1 1 421.879 2.967 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN([C@H](F)Oc2ccc(Cl)nn2)[C@@H]2CCCO[C@H]12 ZINC001164800069 721591096 /nfs/dbraw/zinc/59/10/96/721591096.db2.gz BNTVDHXZDAEDPY-LTDCPUDJSA-N 1 1 407.877 2.521 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN([C@H](F)Oc2ccc(Cl)nn2)[C@@H]2CCCO[C@H]12 ZINC001164800069 721591098 /nfs/dbraw/zinc/59/10/98/721591098.db2.gz BNTVDHXZDAEDPY-LTDCPUDJSA-N 1 1 407.877 2.521 20 0 HFADMO FC1(F)CCN(c2ncc3c(n2)CCCN3)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906910 721703431 /nfs/dbraw/zinc/70/34/31/721703431.db2.gz PACPSYFWTKUMCB-HXUWFJFHSA-N 1 1 400.477 2.967 20 0 HFADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cc(Cl)ncc2F)CC1 ZINC001165011914 721737788 /nfs/dbraw/zinc/73/77/88/721737788.db2.gz XFDWETOBLGODDZ-UHFFFAOYSA-N 1 1 404.864 2.942 20 0 HFADMO COc1cc2ccnc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c2cc1OC ZINC001165011569 721739142 /nfs/dbraw/zinc/73/91/42/721739142.db2.gz QYABWXAQHKHDGS-UHFFFAOYSA-N 1 1 412.534 2.775 20 0 HFADMO Cc1cnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1C1C[NH2+]C1 ZINC001164912136 721739199 /nfs/dbraw/zinc/73/91/99/721739199.db2.gz MBUSWUSWXFZODM-OAQYLSRUSA-N 1 1 414.504 2.605 20 0 HFADMO Cc1csc2ncnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c12 ZINC001164912666 721768559 /nfs/dbraw/zinc/76/85/59/721768559.db2.gz OCVNPZAHJANLNW-OAQYLSRUSA-N 1 1 411.531 2.503 20 0 HFADMO Cc1csc2ncnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c12 ZINC001164912666 721768562 /nfs/dbraw/zinc/76/85/62/721768562.db2.gz OCVNPZAHJANLNW-OAQYLSRUSA-N 1 1 411.531 2.503 20 0 HFADMO C[NH+]1CCC(Oc2ccnc(N3CCC[C@H]4CN(C(=O)c5ccco5)C[C@H]43)c2)CC1 ZINC001165015102 721773217 /nfs/dbraw/zinc/77/32/17/721773217.db2.gz IOTYVHBNBRCRSN-FXAWDEMLSA-N 1 1 410.518 2.889 20 0 HFADMO Clc1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c2c(n1)CCC2 ZINC001164913283 721775883 /nfs/dbraw/zinc/77/58/83/721775883.db2.gz VPKGHXUXRPCMGG-QFIPXVFZSA-N 1 1 414.937 2.727 20 0 HFADMO Clc1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c2c(n1)CCC2 ZINC001164913283 721775885 /nfs/dbraw/zinc/77/58/85/721775885.db2.gz VPKGHXUXRPCMGG-QFIPXVFZSA-N 1 1 414.937 2.727 20 0 HFADMO COc1cccc2c1ccnc2N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915668 721797156 /nfs/dbraw/zinc/79/71/56/721797156.db2.gz XKPZGWNKSQIASE-DEOSSOPVSA-N 1 1 420.513 2.746 20 0 HFADMO COc1cccc2c1ccnc2N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915668 721797158 /nfs/dbraw/zinc/79/71/58/721797158.db2.gz XKPZGWNKSQIASE-DEOSSOPVSA-N 1 1 420.513 2.746 20 0 HFADMO CCOC(=O)Cc1ccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nn1 ZINC001165024113 721819042 /nfs/dbraw/zinc/81/90/42/721819042.db2.gz ISHAWFVKCQKQEA-IOMROCGXSA-N 1 1 409.534 2.714 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C(N)=O)nc(C4CC4)n3)C[C@@H]21 ZINC001165025772 721832052 /nfs/dbraw/zinc/83/20/52/721832052.db2.gz NXKNXDQIVRVROU-IMFGXOCKSA-N 1 1 406.534 2.585 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C(N)=O)nc(C4CC4)n3)C[C@@H]21 ZINC001165025773 721832316 /nfs/dbraw/zinc/83/23/16/721832316.db2.gz NXKNXDQIVRVROU-XKGZKEIXSA-N 1 1 406.534 2.585 20 0 HFADMO CN(c1nc2cc(CN3CC[NH+](C)CC3)sc2c(N2CCOCC2)n1)C(C)(C)C ZINC001165020886 721833954 /nfs/dbraw/zinc/83/39/54/721833954.db2.gz FEKPISDTMWUCEN-UHFFFAOYSA-N 1 1 418.611 2.510 20 0 HFADMO CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(c1ccc(C[N@@H+](C)C3CC3)cn1)C2 ZINC001164920698 721836918 /nfs/dbraw/zinc/83/69/18/721836918.db2.gz APEFEWFASFTRRY-REWPJTCUSA-N 1 1 408.550 2.730 20 0 HFADMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1cc(C(=O)N2CCCCC2)cc(Cl)n1 ZINC001164923600 721853757 /nfs/dbraw/zinc/85/37/57/721853757.db2.gz AXLJZKGWQBLEHG-ROUUACIJSA-N 1 1 405.974 2.576 20 0 HFADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1cc(C(=O)N2CCCCC2)cc(Cl)n1 ZINC001164923600 721853758 /nfs/dbraw/zinc/85/37/58/721853758.db2.gz AXLJZKGWQBLEHG-ROUUACIJSA-N 1 1 405.974 2.576 20 0 HFADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc(Oc2ccc(F)cc2)n1 ZINC001164927106 721869869 /nfs/dbraw/zinc/86/98/69/721869869.db2.gz UOKCTSMXNPYEPB-JKSUJKDBSA-N 1 1 406.893 2.671 20 0 HFADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc(Oc2ccc(F)cc2)n1 ZINC001164927106 721869871 /nfs/dbraw/zinc/86/98/71/721869871.db2.gz UOKCTSMXNPYEPB-JKSUJKDBSA-N 1 1 406.893 2.671 20 0 HFADMO Cn1ccc(CN2CCOCC23CCN(c2[nH+]ccc4c5c([nH]c42)CCC5)CC3)n1 ZINC001164935009 721909688 /nfs/dbraw/zinc/90/96/88/721909688.db2.gz CMKKGOOKZTXSAL-UHFFFAOYSA-N 1 1 406.534 2.657 20 0 HFADMO CCOC(=O)c1cncnc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939053 721920259 /nfs/dbraw/zinc/92/02/59/721920259.db2.gz RZRNJJFPAVYPIK-UHFFFAOYSA-N 1 1 410.518 2.833 20 0 HFADMO CCOC(=O)c1cc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)ncn1 ZINC001164938949 721924790 /nfs/dbraw/zinc/92/47/90/721924790.db2.gz CSSVFLAPDBCQEB-UHFFFAOYSA-N 1 1 410.518 2.833 20 0 HFADMO Cc1nc2ccccc2c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164946737 721971423 /nfs/dbraw/zinc/97/14/23/721971423.db2.gz VQSBCZRWIJIJCR-UHFFFAOYSA-N 1 1 401.514 2.909 20 0 HFADMO Cc1nc2ccccc2c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164946737 721971425 /nfs/dbraw/zinc/97/14/25/721971425.db2.gz VQSBCZRWIJIJCR-UHFFFAOYSA-N 1 1 401.514 2.909 20 0 HFADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nnc(Cl)c3cccnc31)CC2 ZINC001164945144 721974579 /nfs/dbraw/zinc/97/45/79/721974579.db2.gz DRDBVWGSFCSMNL-UHFFFAOYSA-N 1 1 422.920 2.649 20 0 HFADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nnc(Cl)c3cccnc31)CC2 ZINC001164945144 721974581 /nfs/dbraw/zinc/97/45/81/721974581.db2.gz DRDBVWGSFCSMNL-UHFFFAOYSA-N 1 1 422.920 2.649 20 0 HFADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncnc3cccc(F)c31)CC2 ZINC001164945147 721974995 /nfs/dbraw/zinc/97/49/95/721974995.db2.gz DUJSXJHLURYRRH-UHFFFAOYSA-N 1 1 405.477 2.740 20 0 HFADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncnc3cccc(F)c31)CC2 ZINC001164945147 721974997 /nfs/dbraw/zinc/97/49/97/721974997.db2.gz DUJSXJHLURYRRH-UHFFFAOYSA-N 1 1 405.477 2.740 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cccn3C)[C@H]3COC[C@H]32)nc1 ZINC001164962563 722037969 /nfs/dbraw/zinc/03/79/69/722037969.db2.gz NWFXSJHORDCFAW-XAPVIXHLSA-N 1 1 423.561 2.601 20 0 HFADMO Fc1c[nH]c2nc(Cl)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164985139 722100326 /nfs/dbraw/zinc/10/03/26/722100326.db2.gz UZGXIQHWZSNECX-GDBMZVCRSA-N 1 1 416.888 2.873 20 0 HFADMO Clc1nc2c(c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CSC2 ZINC001164982728 722108682 /nfs/dbraw/zinc/10/86/82/722108682.db2.gz XUTALWWDVLBPBJ-CRAIPNDOSA-N 1 1 417.966 2.999 20 0 HFADMO CCOC(=O)c1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(C)c1 ZINC001164981826 722108836 /nfs/dbraw/zinc/10/88/36/722108836.db2.gz VGFWTRAIIUSVPE-FPOVZHCZSA-N 1 1 410.518 2.689 20 0 HFADMO COc1ccc2cnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164972591 722109266 /nfs/dbraw/zinc/10/92/66/722109266.db2.gz GCWHCONYJIONGY-SIKLNZKXSA-N 1 1 405.502 2.761 20 0 HFADMO COC(=O)c1c(C)cc(C)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974903 722115556 /nfs/dbraw/zinc/11/55/56/722115556.db2.gz IVIDXQKPGHJLNK-UXHICEINSA-N 1 1 410.518 2.607 20 0 HFADMO FC(F)(c1cnnc(Cl)c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973056 722119300 /nfs/dbraw/zinc/11/93/00/722119300.db2.gz GGRDSGXETQJFII-RDJZCZTQSA-N 1 1 409.868 2.797 20 0 HFADMO CCOC(=O)c1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1C ZINC001164972493 722122430 /nfs/dbraw/zinc/12/24/30/722122430.db2.gz FRYLJFQSSPPORB-PZJWPPBQSA-N 1 1 410.518 2.689 20 0 HFADMO FC(F)(c1cncc(Cl)n1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978862 722134259 /nfs/dbraw/zinc/13/42/59/722134259.db2.gz KBQKMFIQDIMGNI-CVEARBPZSA-N 1 1 409.868 2.797 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ccnc(N5CCCCC5)n4)CC[C@H]3C2)c1 ZINC001164973276 722138209 /nfs/dbraw/zinc/13/82/09/722138209.db2.gz BQRYRLJOACXHCS-LEWJYISDSA-N 1 1 408.550 2.589 20 0 HFADMO Cc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(-c2ccncc2)n1 ZINC001164983354 722138238 /nfs/dbraw/zinc/13/82/38/722138238.db2.gz UOUKDXIJGLQOKM-YADHBBJMSA-N 1 1 416.529 2.969 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4cncc(N5CCCCCC5)n4)CC[C@@H]3C2)c1 ZINC001164977090 722149825 /nfs/dbraw/zinc/14/98/25/722149825.db2.gz IRLHXPLUGVWHGZ-YADHBBJMSA-N 1 1 422.577 2.979 20 0 HFADMO CCN(C)c1cc[nH+]c(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)n1 ZINC001164987557 722173679 /nfs/dbraw/zinc/17/36/79/722173679.db2.gz OEYUJMMMRXMVFC-QZTJIDSGSA-N 1 1 402.568 2.567 20 0 HFADMO CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(c3nc(Cl)ccc3C[NH+]3CCCC3)[C@H]2C1 ZINC001164995591 722215234 /nfs/dbraw/zinc/21/52/34/722215234.db2.gz JWHRVQIJBKDJSY-OKZBNKHCSA-N 1 1 406.958 2.839 20 0 HFADMO Cc1cccc2c1nc(Cl)nc2N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164997682 722231806 /nfs/dbraw/zinc/23/18/06/722231806.db2.gz SHCTXEQUFCGUEQ-UHFFFAOYSA-N 1 1 423.952 2.739 20 0 HFADMO Cc1cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc(-c2cccs2)n1 ZINC001165002579 722238549 /nfs/dbraw/zinc/23/85/49/722238549.db2.gz VTSZPCOAXHVWIY-UHFFFAOYSA-N 1 1 421.574 2.661 20 0 HFADMO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)C2 ZINC001165004417 722268940 /nfs/dbraw/zinc/26/89/40/722268940.db2.gz ASKVNXHWGIBCAD-XMMPIXPASA-N 1 1 423.536 2.742 20 0 HFADMO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)C2 ZINC001165004409 722268972 /nfs/dbraw/zinc/26/89/72/722268972.db2.gz ASKVNXHWGIBCAD-DEOSSOPVSA-N 1 1 423.536 2.742 20 0 HFADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000792995935 1078044147 /nfs/dbraw/zinc/04/41/47/1078044147.db2.gz CTFKKUPSJNXVBE-LMNJBCLMSA-N 1 1 414.550 2.817 20 0 HFADMO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cn1 ZINC000790468689 1078045513 /nfs/dbraw/zinc/04/55/13/1078045513.db2.gz RUKQVRPMALDKRC-PGRDOPGGSA-N 1 1 411.550 2.799 20 0 HFADMO C[C@@]1(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793037041 1078053303 /nfs/dbraw/zinc/05/33/03/1078053303.db2.gz HAOLNPSPVMPFBQ-DENIHFKCSA-N 1 1 400.523 2.571 20 0 HFADMO C[C@H](CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)[N@H+]1CCCC[C@H]1C ZINC000793049987 1078056859 /nfs/dbraw/zinc/05/68/59/1078056859.db2.gz CIDXBOUMSDVWAB-DEPWHIHDSA-N 1 1 424.545 2.957 20 0 HFADMO CC1(C)C[N@H+](C2(CNC(=O)[C@H]3CC(c4cccnc4)=NO3)CCCCC2)CCO1 ZINC000790607566 1078074127 /nfs/dbraw/zinc/07/41/27/1078074127.db2.gz WZWRMPJVABOPIM-LJQANCHMSA-N 1 1 400.523 2.505 20 0 HFADMO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000793107060 1078080174 /nfs/dbraw/zinc/08/01/74/1078080174.db2.gz XYPGDXQVXFVGGM-IBGZPJMESA-N 1 1 417.550 2.781 20 0 HFADMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C ZINC000790665069 1078083133 /nfs/dbraw/zinc/08/31/33/1078083133.db2.gz YDRUMRDGBFARAF-QGZVFWFLSA-N 1 1 404.555 2.718 20 0 HFADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(CCO)Cc1cccnc1Cl ZINC000793153499 1078091831 /nfs/dbraw/zinc/09/18/31/1078091831.db2.gz KDFWXEPFFODHNU-LPHOPBHVSA-N 1 1 402.926 2.759 20 0 HFADMO Cn1c2nn(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c(=S)n2c2ccccc2c1=O ZINC000772828309 1078090637 /nfs/dbraw/zinc/09/06/37/1078090637.db2.gz MEYKZEVOMWFQPI-YJBOKZPZSA-N 1 1 424.574 2.623 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)CCN(C)C(=O)OCc1ccccc1 ZINC000793155217 1078092239 /nfs/dbraw/zinc/09/22/39/1078092239.db2.gz RPTLAQBSDBXYSP-UHFFFAOYSA-N 1 1 407.474 2.851 20 0 HFADMO O=C1C(=O)N(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c2cccc(Br)c21 ZINC000772829172 1078106405 /nfs/dbraw/zinc/10/64/05/1078106405.db2.gz RZKQOEMYYOEACY-CJNGLKHVSA-N 1 1 418.335 2.885 20 0 HFADMO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1nnnn1C1CC1 ZINC000790718069 1078107168 /nfs/dbraw/zinc/10/71/68/1078107168.db2.gz MXHAIPOGGQATOJ-HQRMLTQVSA-N 1 1 409.538 2.765 20 0 HFADMO C[C@H]1C[C@@H](C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)CCN1C(=O)OC(C)(C)C ZINC000793255660 1078111646 /nfs/dbraw/zinc/11/16/46/1078111646.db2.gz RFGVJWMRBTWXAC-FHWLQOOXSA-N 1 1 409.571 2.735 20 0 HFADMO C[C@H](NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1nnnn1C1CC1 ZINC000790726649 1078116978 /nfs/dbraw/zinc/11/69/78/1078116978.db2.gz IIIQOCHGKJJBNS-KRWDZBQOSA-N 1 1 409.538 2.767 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC000793292109 1078120502 /nfs/dbraw/zinc/12/05/02/1078120502.db2.gz YNUOGYCGTKCWAY-HZPDHXFCSA-N 1 1 400.425 2.789 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC000790738956 1078120632 /nfs/dbraw/zinc/12/06/32/1078120632.db2.gz MLLAPAHMQJASSF-ROUUACIJSA-N 1 1 413.522 2.691 20 0 HFADMO Cc1[nH+]ccn1CCCCNC(=O)N1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000790752462 1078125253 /nfs/dbraw/zinc/12/52/53/1078125253.db2.gz IKZORHFLDTXQPJ-IRXDYDNUSA-N 1 1 411.522 2.961 20 0 HFADMO CCOC(=O)C[NH+]1CCC(COC(=O)Cc2cc(F)ccc2Br)CC1 ZINC000790771363 1078128816 /nfs/dbraw/zinc/12/88/16/1078128816.db2.gz HWGQVBMKFUMOLZ-UHFFFAOYSA-N 1 1 416.287 2.949 20 0 HFADMO COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3CC(c4cccnc4)=NO3)CC[N@H+]2C2CC2)c1 ZINC000790857420 1078152516 /nfs/dbraw/zinc/15/25/16/1078152516.db2.gz OSKKGONOTHPVJV-ILWGZMRPSA-N 1 1 406.486 2.677 20 0 HFADMO COc1ccc([C@@H]2C[C@H]2NC(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793374276 1078152891 /nfs/dbraw/zinc/15/28/91/1078152891.db2.gz LZIOHWNHUZGBNQ-ZDXQCDESSA-N 1 1 409.530 2.830 20 0 HFADMO C[C@H](NC(=O)c1nc(Br)ccc1Br)C1=CC[N@@H+](C)CC1 ZINC000790867565 1078164094 /nfs/dbraw/zinc/16/40/94/1078164094.db2.gz UWRDZQOBTRYZDZ-VIFPVBQESA-N 1 1 403.118 2.987 20 0 HFADMO O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)[C@H]1CC(c2cccnc2)=NO1 ZINC000790884014 1078170321 /nfs/dbraw/zinc/17/03/21/1078170321.db2.gz QJDNVUARFYAXNN-ADYITMSISA-N 1 1 404.514 2.992 20 0 HFADMO Cc1[nH+]ccn1CCCC(=O)NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC000793482466 1078189293 /nfs/dbraw/zinc/18/92/93/1078189293.db2.gz YSAZHQDLKVTPNB-JOCHJYFZSA-N 1 1 409.490 2.513 20 0 HFADMO C[C@H]1C[C@@H](C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC000793492252 1078200423 /nfs/dbraw/zinc/20/04/23/1078200423.db2.gz BXRGSBGEPFEDNK-ROUUACIJSA-N 1 1 410.603 2.506 20 0 HFADMO C[C@H]1C[C@@H](C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000793492252 1078200426 /nfs/dbraw/zinc/20/04/26/1078200426.db2.gz BXRGSBGEPFEDNK-ROUUACIJSA-N 1 1 410.603 2.506 20 0 HFADMO CCN(CCCNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C)C(=O)OC(C)(C)C ZINC000793492993 1078201015 /nfs/dbraw/zinc/20/10/15/1078201015.db2.gz HXMUUAJXRPNTJE-UHFFFAOYSA-N 1 1 404.515 2.600 20 0 HFADMO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000793503806 1078204656 /nfs/dbraw/zinc/20/46/56/1078204656.db2.gz GOEBVARHMKVTBX-UPVQGACJSA-N 1 1 405.542 2.908 20 0 HFADMO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000793503806 1078204657 /nfs/dbraw/zinc/20/46/57/1078204657.db2.gz GOEBVARHMKVTBX-UPVQGACJSA-N 1 1 405.542 2.908 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CN2C(=O)C[C@@](C)(c3ccc(C)cc3)C2=O)C1 ZINC000793594489 1078218442 /nfs/dbraw/zinc/21/84/42/1078218442.db2.gz ZPLOKSVNLYUIKN-LOSJGSFVSA-N 1 1 420.509 2.786 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CN2C(=O)C[C@@](C)(c3ccc(C)cc3)C2=O)C1 ZINC000793594489 1078218445 /nfs/dbraw/zinc/21/84/45/1078218445.db2.gz ZPLOKSVNLYUIKN-LOSJGSFVSA-N 1 1 420.509 2.786 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CN2C[C@H](c3cccc(OC)c3)CC2=O)C1 ZINC000793597459 1078219877 /nfs/dbraw/zinc/21/98/77/1078219877.db2.gz LKGVBSBLGLTYGQ-DVECYGJZSA-N 1 1 408.498 2.785 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CN2C[C@H](c3cccc(OC)c3)CC2=O)C1 ZINC000793597459 1078219880 /nfs/dbraw/zinc/21/98/80/1078219880.db2.gz LKGVBSBLGLTYGQ-DVECYGJZSA-N 1 1 408.498 2.785 20 0 HFADMO COCC1(C(=O)NCCCNc2ccc(C)c[nH+]2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793601389 1078220631 /nfs/dbraw/zinc/22/06/31/1078220631.db2.gz IOYYRXCREYXVBF-UHFFFAOYSA-N 1 1 420.554 2.972 20 0 HFADMO COc1cc2c(cc1CN1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)O[C@@H](C)C2 ZINC000793603942 1078221983 /nfs/dbraw/zinc/22/19/83/1078221983.db2.gz MWVGTVFNXSZMNA-MAUKXSAKSA-N 1 1 405.539 2.659 20 0 HFADMO COc1cc2c(cc1CN1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)O[C@@H](C)C2 ZINC000793603942 1078221985 /nfs/dbraw/zinc/22/19/85/1078221985.db2.gz MWVGTVFNXSZMNA-MAUKXSAKSA-N 1 1 405.539 2.659 20 0 HFADMO COc1nc2ccccc2cc1CN1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000793604069 1078221994 /nfs/dbraw/zinc/22/19/94/1078221994.db2.gz NNGRMVHHUGOUDO-GOSISDBHSA-N 1 1 400.523 2.884 20 0 HFADMO COc1nc2ccccc2cc1CN1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000793604069 1078221996 /nfs/dbraw/zinc/22/19/96/1078221996.db2.gz NNGRMVHHUGOUDO-GOSISDBHSA-N 1 1 400.523 2.884 20 0 HFADMO C[C@H](O)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000793648274 1078241031 /nfs/dbraw/zinc/24/10/31/1078241031.db2.gz FYPUZFOJBCTAIZ-KGVIQGDOSA-N 1 1 409.530 2.525 20 0 HFADMO C[C@H](O)c1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000793641262 1078238479 /nfs/dbraw/zinc/23/84/79/1078238479.db2.gz WKZBSYLKTIUFCI-YDHSSHFGSA-N 1 1 423.557 2.868 20 0 HFADMO CCC[C@@H]1CN(C(=O)C(=O)NCc2ccc([C@H](C)O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000793645296 1078239747 /nfs/dbraw/zinc/23/97/47/1078239747.db2.gz ALRJRRAYMIUNFR-WMZHIEFXSA-N 1 1 423.557 2.869 20 0 HFADMO CCC[C@@H]1CN(C(=O)C(=O)NCc2ccc([C@H](C)O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000793645296 1078239751 /nfs/dbraw/zinc/23/97/51/1078239751.db2.gz ALRJRRAYMIUNFR-WMZHIEFXSA-N 1 1 423.557 2.869 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000793661224 1078243316 /nfs/dbraw/zinc/24/33/16/1078243316.db2.gz HOUAJZLOCAKDSZ-HNNXBMFYSA-N 1 1 423.395 2.585 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCc2nnc(COc3ccccn3)n2CC1 ZINC001170436378 1078248840 /nfs/dbraw/zinc/24/88/40/1078248840.db2.gz HZBVAHSDOZDGFG-SFHVURJKSA-N 1 1 421.501 2.860 20 0 HFADMO CCN(C(=O)C(=O)N[C@@H](C)COc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793684929 1078255467 /nfs/dbraw/zinc/25/54/67/1078255467.db2.gz FPOPVRLBPLNPGJ-PZJWPPBQSA-N 1 1 409.530 2.693 20 0 HFADMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)C1 ZINC000793687630 1078256770 /nfs/dbraw/zinc/25/67/70/1078256770.db2.gz PIRBIPGAEURXMC-GDBMZVCRSA-N 1 1 408.568 2.767 20 0 HFADMO C[C@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000793689196 1078257130 /nfs/dbraw/zinc/25/71/30/1078257130.db2.gz KTJIVFRXGNRLBC-KXBFYZLASA-N 1 1 403.523 2.823 20 0 HFADMO C[C@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000793689196 1078257135 /nfs/dbraw/zinc/25/71/35/1078257135.db2.gz KTJIVFRXGNRLBC-KXBFYZLASA-N 1 1 403.523 2.823 20 0 HFADMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1Cn1ncc2cn(C)nc2c1=O ZINC000793726724 1078268208 /nfs/dbraw/zinc/26/82/08/1078268208.db2.gz YJZLGXLDDISFBA-JOCHJYFZSA-N 1 1 422.577 2.753 20 0 HFADMO C[C@@H](COc1ccccc1)NC(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793696894 1078272169 /nfs/dbraw/zinc/27/21/69/1078272169.db2.gz KQFFHCRYHSGTNF-FPOVZHCZSA-N 1 1 409.530 2.551 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C(=O)C(C)(C)[C@@H]3[C@@H]3CCCO3)CC[C@H]21 ZINC000793706049 1078276208 /nfs/dbraw/zinc/27/62/08/1078276208.db2.gz MHLKWFHYOFAGGH-BDXSIMOUSA-N 1 1 407.555 2.691 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C(=O)C(C)(C)[C@@H]3[C@@H]3CCCO3)CC[C@H]21 ZINC000793706049 1078276210 /nfs/dbraw/zinc/27/62/10/1078276210.db2.gz MHLKWFHYOFAGGH-BDXSIMOUSA-N 1 1 407.555 2.691 20 0 HFADMO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000793800000 1078302539 /nfs/dbraw/zinc/30/25/39/1078302539.db2.gz AQBHYYHSVXFWSD-RTBURBONSA-N 1 1 417.550 2.515 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC(C)(c2ccccc2)CC1 ZINC000793808010 1078306327 /nfs/dbraw/zinc/30/63/27/1078306327.db2.gz BMFCJMUMBICLLM-UHFFFAOYSA-N 1 1 417.513 2.772 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000793804466 1078303756 /nfs/dbraw/zinc/30/37/56/1078303756.db2.gz IGWJFETYFQEGEY-MGPUTAFESA-N 1 1 421.476 2.941 20 0 HFADMO 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/nfs/dbraw/zinc/30/82/14/1078308214.db2.gz XPUPWEOPIFGWBC-RBBKRZOGSA-N 1 1 423.557 2.907 20 0 HFADMO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793777061 1078308715 /nfs/dbraw/zinc/30/87/15/1078308715.db2.gz DCYGHTVEDOXQSB-CTNGQTDRSA-N 1 1 409.530 2.611 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NCc1ccc(C2CCC2)cc1 ZINC000793812063 1078315040 /nfs/dbraw/zinc/31/50/40/1078315040.db2.gz ZZWNKLQWELTVFO-UHFFFAOYSA-N 1 1 403.486 2.776 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1Cc2nccn2C[C@@H](CN2CCCC2=O)C1 ZINC001170438554 1078322549 /nfs/dbraw/zinc/32/25/49/1078322549.db2.gz TYVOBYXIPWEXFV-OALUTQOASA-N 1 1 410.518 2.687 20 0 HFADMO Cc1ccc([C@@H](C)NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)s1 ZINC000793855093 1078324438 /nfs/dbraw/zinc/32/44/38/1078324438.db2.gz XRZJVGCBIDMMBH-IEBWSBKVSA-N 1 1 415.559 2.641 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H]2COC[C@@H](C(=O)N3CCCC3)[C@@H]2C1 ZINC001170438954 1078325608 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/nfs/dbraw/zinc/37/56/41/1078375641.db2.gz OYXNCFZIGSCMTR-WZONZLPQSA-N 1 1 410.518 2.989 20 0 HFADMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(F)c(N2CCOC2=O)c1 ZINC000794106438 1078372866 /nfs/dbraw/zinc/37/28/66/1078372866.db2.gz SYZMTADUPYSTQM-UHFFFAOYSA-N 1 1 412.465 2.539 20 0 HFADMO COc1cc(NC(=O)c2ccccc2)c(C(=O)NCC[N@@H+]2CC=CCC2)cc1OC ZINC000794117972 1078374481 /nfs/dbraw/zinc/37/44/81/1078374481.db2.gz HMUSSJBROWZWGR-UHFFFAOYSA-N 1 1 409.486 2.948 20 0 HFADMO CCN1C(=O)c2ccc(C(=O)Nc3ccc(C[NH+](C)C)c(Cl)c3)cc2S1(=O)=O ZINC000794223089 1078387076 /nfs/dbraw/zinc/38/70/76/1078387076.db2.gz REQRFFYYGXQLEU-UHFFFAOYSA-N 1 1 421.906 2.818 20 0 HFADMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000794218198 1078395466 /nfs/dbraw/zinc/39/54/66/1078395466.db2.gz VAQXUXAFZNTDKU-GOSISDBHSA-N 1 1 424.611 2.655 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001170445728 1078417328 /nfs/dbraw/zinc/41/73/28/1078417328.db2.gz YEOPNXYCEWISBS-LJQANCHMSA-N 1 1 414.550 2.917 20 0 HFADMO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)C[C@@H](O)CCNC(=O)OC(C)(C)C)cn1 ZINC000794375742 1078430497 /nfs/dbraw/zinc/43/04/97/1078430497.db2.gz VQCNJDHNADCOQJ-RBUKOAKNSA-N 1 1 406.502 2.856 20 0 HFADMO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)C[C@@H](O)CCNC(=O)OC(C)(C)C)cn1 ZINC000794375742 1078430499 /nfs/dbraw/zinc/43/04/99/1078430499.db2.gz VQCNJDHNADCOQJ-RBUKOAKNSA-N 1 1 406.502 2.856 20 0 HFADMO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)C[C@H](O)CCNC(=O)OC(C)(C)C)cn1 ZINC000794375743 1078430531 /nfs/dbraw/zinc/43/05/31/1078430531.db2.gz VQCNJDHNADCOQJ-RTBURBONSA-N 1 1 406.502 2.856 20 0 HFADMO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)C[C@H](O)CCNC(=O)OC(C)(C)C)cn1 ZINC000794375743 1078430534 /nfs/dbraw/zinc/43/05/34/1078430534.db2.gz VQCNJDHNADCOQJ-RTBURBONSA-N 1 1 406.502 2.856 20 0 HFADMO C[C@H](NC(=O)CN1c2ccccc2OC(F)(F)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000794411863 1078433422 /nfs/dbraw/zinc/43/34/22/1078433422.db2.gz OLCJBXRSSYZUSB-GJZGRUSLSA-N 1 1 407.461 2.774 20 0 HFADMO C[C@H](NC(=O)CN1c2ccccc2OC(F)(F)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000794411869 1078433595 /nfs/dbraw/zinc/43/35/95/1078433595.db2.gz OLCJBXRSSYZUSB-LSDHHAIUSA-N 1 1 407.461 2.774 20 0 HFADMO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[N@H+](CC)C[C@@H]2C)ccc1Cl ZINC000804380162 1078455636 /nfs/dbraw/zinc/45/56/36/1078455636.db2.gz SCRIWXFVVUIYPB-AWEZNQCLSA-N 1 1 401.960 2.537 20 0 HFADMO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[N@@H+](CC)C[C@@H]2C)ccc1Cl ZINC000804380162 1078455639 /nfs/dbraw/zinc/45/56/39/1078455639.db2.gz SCRIWXFVVUIYPB-AWEZNQCLSA-N 1 1 401.960 2.537 20 0 HFADMO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000747204149 1078473891 /nfs/dbraw/zinc/47/38/91/1078473891.db2.gz LUIAACRAQJZMMM-MSOLQXFVSA-N 1 1 415.563 2.766 20 0 HFADMO O=C1[C@@H]([N@H+]2CCC[C@H](N3CCOCC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC001170451827 1078506588 /nfs/dbraw/zinc/50/65/88/1078506588.db2.gz OEXURPKDEHBKMW-HKUYNNGSSA-N 1 1 409.477 2.580 20 0 HFADMO C[C@](O)(CC(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000804447534 1078515073 /nfs/dbraw/zinc/51/50/73/1078515073.db2.gz FMIUSTNKJPPLMU-ZCYQVOJMSA-N 1 1 407.558 2.703 20 0 HFADMO O=C(c1ccnc(Cl)c1F)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804446881 1078512839 /nfs/dbraw/zinc/51/28/39/1078512839.db2.gz QAVYZDTXQGXVOQ-QGZVFWFLSA-N 1 1 402.901 2.906 20 0 HFADMO CNc1cc(C(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc(Cl)n1 ZINC000804446677 1078513199 /nfs/dbraw/zinc/51/31/99/1078513199.db2.gz AEBGXIRQCQYWQK-IBGZPJMESA-N 1 1 413.953 2.809 20 0 HFADMO Cn1nccc1CCC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC001129823611 1078518638 /nfs/dbraw/zinc/51/86/38/1078518638.db2.gz QDCBUIGNDYJOJK-UHFFFAOYSA-N 1 1 405.340 2.896 20 0 HFADMO C[C@@H]1CN(C(=O)[C@@H](c2ccccc2F)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001129827925 1078521750 /nfs/dbraw/zinc/52/17/50/1078521750.db2.gz DIJVBRBCFZKCRK-AUSIDOKSSA-N 1 1 411.521 2.932 20 0 HFADMO C[C@@H]1CN(C(=O)[C@@H](c2ccccc2F)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001129827925 1078521757 /nfs/dbraw/zinc/52/17/57/1078521757.db2.gz DIJVBRBCFZKCRK-AUSIDOKSSA-N 1 1 411.521 2.932 20 0 HFADMO COc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1N1CCNC1=O ZINC001129829626 1078523761 /nfs/dbraw/zinc/52/37/61/1078523761.db2.gz YQTFVDYHJLXMQN-QGZVFWFLSA-N 1 1 408.502 2.571 20 0 HFADMO COc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1N1CCNC1=O ZINC001129829626 1078523766 /nfs/dbraw/zinc/52/37/66/1078523766.db2.gz YQTFVDYHJLXMQN-QGZVFWFLSA-N 1 1 408.502 2.571 20 0 HFADMO C[N@@H+](CCCCNC(=O)CCNC(=O)c1cc(F)ccc1Br)C1CC1 ZINC001129515363 1078527857 /nfs/dbraw/zinc/52/78/57/1078527857.db2.gz JGMBGAHKMFWURP-UHFFFAOYSA-N 1 1 414.319 2.699 20 0 HFADMO CCC(=O)c1ccc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(S(N)(=O)=O)c1 ZINC000804693498 1078532323 /nfs/dbraw/zinc/53/23/23/1078532323.db2.gz WEXNOPBMQZRKOX-MRXNPFEDSA-N 1 1 416.547 2.844 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@](NC(=O)OC(C)(C)C)(C(=O)OC)C1 ZINC001170455330 1078556890 /nfs/dbraw/zinc/55/68/90/1078556890.db2.gz HXSXEIMAFYULLI-KSFYIVLOSA-N 1 1 420.506 2.879 20 0 HFADMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2cccc(CN3C(=O)CSC3=O)c2)C1 ZINC000804533923 1078571437 /nfs/dbraw/zinc/57/14/37/1078571437.db2.gz JWGRAAKKRMTECZ-UHFFFAOYSA-N 1 1 409.511 2.838 20 0 HFADMO O=C([C@H]1CCCN1C(=O)C(F)(F)F)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804534191 1078571509 /nfs/dbraw/zinc/57/15/09/1078571509.db2.gz DUKIRANLYKIXMI-XLIONFOSSA-N 1 1 409.452 2.664 20 0 HFADMO COc1ccc(C)cc1CC(=O)OCC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000804743750 1078579736 /nfs/dbraw/zinc/57/97/36/1078579736.db2.gz NBVGPAKMKRBUJF-LJQANCHMSA-N 1 1 410.514 2.995 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000804775375 1078600956 /nfs/dbraw/zinc/60/09/56/1078600956.db2.gz GYYIYYHMMRYVBV-HNNXBMFYSA-N 1 1 415.987 2.975 20 0 HFADMO C[N@@H+](CCCCNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)C1CC1 ZINC001129628302 1078601446 /nfs/dbraw/zinc/60/14/46/1078601446.db2.gz LKUUQEVJFCMJQH-AWEZNQCLSA-N 1 1 408.340 2.793 20 0 HFADMO CN(C(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000804564027 1078598808 /nfs/dbraw/zinc/59/88/08/1078598808.db2.gz IRSMUORREHCLHC-JVXMTQNBSA-N 1 1 403.498 2.821 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000804775906 1078601958 /nfs/dbraw/zinc/60/19/58/1078601958.db2.gz QQBDOIWEQZGEPJ-HNNXBMFYSA-N 1 1 406.577 2.919 20 0 HFADMO CC(C)(C)OC(=O)N1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC000804759786 1078610661 /nfs/dbraw/zinc/61/06/61/1078610661.db2.gz APUZNNKPTRVMAA-VQTJNVASSA-N 1 1 420.598 2.547 20 0 HFADMO COCC(C)(C)[NH+]1CCN(C(=O)C(C)(C)n2cc(NC(=O)OC(C)(C)C)cn2)CC1 ZINC001129926482 1078619946 /nfs/dbraw/zinc/61/99/46/1078619946.db2.gz XXWVQUGHAUBIGU-UHFFFAOYSA-N 1 1 423.558 2.534 20 0 HFADMO CN(C(=O)c1cccc(OCC(=O)OC(C)(C)C)c1)C(C)(C)C[NH+]1CCOCC1 ZINC001129659271 1078620487 /nfs/dbraw/zinc/62/04/87/1078620487.db2.gz ZQBXHTQERBQSKQ-UHFFFAOYSA-N 1 1 406.523 2.590 20 0 HFADMO COC(=O)c1sc(N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)nc1Cl ZINC000804808447 1078637530 /nfs/dbraw/zinc/63/75/30/1078637530.db2.gz UHDAEEPFMBGVGO-INIZCTEOSA-N 1 1 420.966 2.980 20 0 HFADMO CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)cc1 ZINC001129669950 1078628930 /nfs/dbraw/zinc/62/89/30/1078628930.db2.gz PQGCVZDHSHQMPI-UHFFFAOYSA-N 1 1 419.522 2.645 20 0 HFADMO COc1cccc([C@H](C)CCCC(=O)NCC2([NH+]3CCOCC3)CCOCC2)c1 ZINC001129669625 1078628943 /nfs/dbraw/zinc/62/89/43/1078628943.db2.gz KMNXKIMFDDPKEW-LJQANCHMSA-N 1 1 404.551 2.967 20 0 HFADMO O=C(Nc1ccc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)s1)Nc1ccccc1 ZINC000747214717 1078634475 /nfs/dbraw/zinc/63/44/75/1078634475.db2.gz AQXRGNIPXRPLFN-JKSUJKDBSA-N 1 1 400.504 2.985 20 0 HFADMO CC1(C)OC(=O)c2c1ccnc2N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804807245 1078636872 /nfs/dbraw/zinc/63/68/72/1078636872.db2.gz CYJQEYKJDLJORS-IBGZPJMESA-N 1 1 406.530 2.884 20 0 HFADMO Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc1S(=O)(=O)N1CCCCC1 ZINC001129680126 1078644169 /nfs/dbraw/zinc/64/41/69/1078644169.db2.gz VSMKTOMUEMBAKH-IBGZPJMESA-N 1 1 407.580 2.724 20 0 HFADMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC001129680327 1078644859 /nfs/dbraw/zinc/64/48/59/1078644859.db2.gz WIMVQRUSVUTODT-MRXNPFEDSA-N 1 1 411.344 2.902 20 0 HFADMO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001129704662 1078663016 /nfs/dbraw/zinc/66/30/16/1078663016.db2.gz XYFONLCEGAOACC-WBVHZDCISA-N 1 1 413.440 2.883 20 0 HFADMO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001129704662 1078663020 /nfs/dbraw/zinc/66/30/20/1078663020.db2.gz XYFONLCEGAOACC-WBVHZDCISA-N 1 1 413.440 2.883 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cccc(Cn2cncn2)c1 ZINC001129970887 1078664539 /nfs/dbraw/zinc/66/45/39/1078664539.db2.gz JLIYVTOTHZCXPA-DHIUTWEWSA-N 1 1 419.529 2.593 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)Cn1nc(C(F)(F)F)cc1C ZINC001129971172 1078665242 /nfs/dbraw/zinc/66/52/42/1078665242.db2.gz WXVZSMCIJDWMCI-QZTJIDSGSA-N 1 1 424.467 2.864 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000804828792 1078667191 /nfs/dbraw/zinc/66/71/91/1078667191.db2.gz ANCDTOSPDUIQBK-KNQAVFIVSA-N 1 1 422.573 2.786 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000804828263 1078668306 /nfs/dbraw/zinc/66/83/06/1078668306.db2.gz LWDDVNBXKHXTAT-JOCHJYFZSA-N 1 1 422.573 2.882 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000804832714 1078672268 /nfs/dbraw/zinc/67/22/68/1078672268.db2.gz VTNNZWCVJIWASD-GHTZIAJQSA-N 1 1 408.546 2.538 20 0 HFADMO O=C(CC[NH+]1CCOCC1)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000804626755 1078680119 /nfs/dbraw/zinc/68/01/19/1078680119.db2.gz PDOGGZCSXRSJNY-UHFFFAOYSA-N 1 1 405.848 2.730 20 0 HFADMO C[C@@H]1C[C@H](NC(=O)C(=O)NCC[C@@](C)(O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000804644605 1078697181 /nfs/dbraw/zinc/69/71/81/1078697181.db2.gz KTAVKLWLUWTCQM-OPJGWUQDSA-N 1 1 423.557 2.570 20 0 HFADMO C[C@H]1C[C@@H](NC(=O)C(=O)NCCc2ccc(Cl)nc2)CC[N@H+]1Cc1ccccc1 ZINC000804643903 1078698362 /nfs/dbraw/zinc/69/83/62/1078698362.db2.gz SPRNFSJDDCTOJL-LPHOPBHVSA-N 1 1 414.937 2.563 20 0 HFADMO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000804643935 1078698683 /nfs/dbraw/zinc/69/86/83/1078698683.db2.gz UASUUXQWIHFKJS-RXVVDRJESA-N 1 1 411.521 2.996 20 0 HFADMO CCc1ccc([C@@H](O)CNC(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC000804952090 1078779909 /nfs/dbraw/zinc/77/99/09/1078779909.db2.gz IJPQWOLDEAHNQP-ZEQRLZLVSA-N 1 1 424.589 2.960 20 0 HFADMO CCc1ccc([C@@H](O)CNC(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000804952090 1078779914 /nfs/dbraw/zinc/77/99/14/1078779914.db2.gz IJPQWOLDEAHNQP-ZEQRLZLVSA-N 1 1 424.589 2.960 20 0 HFADMO CCc1ccc([C@@H](O)CNC(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000804952090 1078779916 /nfs/dbraw/zinc/77/99/16/1078779916.db2.gz IJPQWOLDEAHNQP-ZEQRLZLVSA-N 1 1 424.589 2.960 20 0 HFADMO CCc1ccc([C@H](O)CNC(=O)NCc2ccc(C[NH+]3CCN(CC)CC3)cc2)cc1 ZINC000804949607 1078778157 /nfs/dbraw/zinc/77/81/57/1078778157.db2.gz UOVOTPOYSAHFOH-XMMPIXPASA-N 1 1 424.589 2.919 20 0 HFADMO O=C(NCCSC(F)(F)F)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804962045 1078801230 /nfs/dbraw/zinc/80/12/30/1078801230.db2.gz UDHRNWOUPZDRSZ-QGZVFWFLSA-N 1 1 416.513 2.841 20 0 HFADMO CC(C)N(C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001130057687 1078881012 /nfs/dbraw/zinc/88/10/12/1078881012.db2.gz LRJNFOLYYYSVEJ-JTHBVZDNSA-N 1 1 420.557 2.942 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000805121361 1078912506 /nfs/dbraw/zinc/91/25/06/1078912506.db2.gz OTZPIZZLNMDAQV-CQTFCRGUSA-N 1 1 406.479 2.593 20 0 HFADMO Cc1nc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c(Br)n1C ZINC000805087787 1078916136 /nfs/dbraw/zinc/91/61/36/1078916136.db2.gz PMFADSALXKOFIO-AWEZNQCLSA-N 1 1 419.389 2.566 20 0 HFADMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)CCOc1ccccc1I ZINC001130098025 1078948043 /nfs/dbraw/zinc/94/80/43/1078948043.db2.gz JGXFZZRMQFWVSR-ZDUSSCGKSA-N 1 1 402.276 2.613 20 0 HFADMO Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001130099494 1078949956 /nfs/dbraw/zinc/94/99/56/1078949956.db2.gz VKHJMHOJQFYNCN-FQEVSTJZSA-N 1 1 421.607 2.890 20 0 HFADMO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747231760 1078950726 /nfs/dbraw/zinc/95/07/26/1078950726.db2.gz NNZJWXIYTMIOKQ-IACUBPJLSA-N 1 1 417.731 2.849 20 0 HFADMO Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)c2cc(-c3ccccc3)[nH]n2)CC1 ZINC000805222593 1078992196 /nfs/dbraw/zinc/99/21/96/1078992196.db2.gz HVQMMJTWSQNALV-UHFFFAOYSA-N 1 1 418.497 2.886 20 0 HFADMO CCCCCCn1nc(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c2ccccc2c1=O ZINC000747236311 1078994785 /nfs/dbraw/zinc/99/47/85/1078994785.db2.gz LIUDQTLXFLOLJS-ROUUACIJSA-N 1 1 412.534 2.570 20 0 HFADMO COC(=O)N1CCC(CNC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000805274953 1079004625 /nfs/dbraw/zinc/00/46/25/1079004625.db2.gz XMXTYDWIQCKRJB-FXAWDEMLSA-N 1 1 402.539 2.675 20 0 HFADMO COC(=O)N1CCC(CNC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000805316124 1079015774 /nfs/dbraw/zinc/01/57/74/1079015774.db2.gz IARASILZUUMSJR-QFIPXVFZSA-N 1 1 402.539 2.819 20 0 HFADMO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(I)c1O ZINC000805334049 1079023395 /nfs/dbraw/zinc/02/33/95/1079023395.db2.gz UUVLCJOJFSNEGS-SMDDNHRTSA-N 1 1 400.260 2.696 20 0 HFADMO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000805434769 1079063012 /nfs/dbraw/zinc/06/30/12/1079063012.db2.gz ZLLDIVZIZRLULO-CRAIPNDOSA-N 1 1 405.461 2.921 20 0 HFADMO COC(=O)/C=C\c1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000747242132 1079068113 /nfs/dbraw/zinc/06/81/13/1079068113.db2.gz FHFWCENAXTWUKU-QKQONQEDSA-N 1 1 414.527 2.816 20 0 HFADMO COC(=O)/C=C\c1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000747242132 1079068118 /nfs/dbraw/zinc/06/81/18/1079068118.db2.gz FHFWCENAXTWUKU-QKQONQEDSA-N 1 1 414.527 2.816 20 0 HFADMO O=C(NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCC2CC2)n[nH]1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001130223194 1079105828 /nfs/dbraw/zinc/10/58/28/1079105828.db2.gz QFWCNVBXBHVNKN-FKSLSLAPSA-N 1 1 401.555 2.509 20 0 HFADMO O=C(NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCC2CC2)n1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001130223194 1079105829 /nfs/dbraw/zinc/10/58/29/1079105829.db2.gz QFWCNVBXBHVNKN-FKSLSLAPSA-N 1 1 401.555 2.509 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)ccc1F ZINC000747247841 1079111006 /nfs/dbraw/zinc/11/10/06/1079111006.db2.gz KWCJCWXZCNDQBN-UHFFFAOYSA-N 1 1 424.469 2.694 20 0 HFADMO CC(C)[C@@H](CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC001130228382 1079113524 /nfs/dbraw/zinc/11/35/24/1079113524.db2.gz CQVIMAQKKOKHGO-WOJBJXKFSA-N 1 1 403.567 2.705 20 0 HFADMO O=C(NC[C@@H]1CCC=CO1)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000805515841 1079114633 /nfs/dbraw/zinc/11/46/33/1079114633.db2.gz 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HFADMO C[C@H](CNC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259680 1079149203 /nfs/dbraw/zinc/14/92/03/1079149203.db2.gz JEYRMLJUYOALCT-KFWWJZLASA-N 1 1 417.531 2.695 20 0 HFADMO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CCC[N@H+]4CCCC[C@@H]34)cc2)C1 ZINC001130300781 1079192184 /nfs/dbraw/zinc/19/21/84/1079192184.db2.gz DIYYXOOMQJITHL-QMMLZNLJSA-N 1 1 419.591 2.854 20 0 HFADMO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CCC[N@H+]4CCCC[C@H]34)cc2)C1 ZINC001130300778 1079192214 /nfs/dbraw/zinc/19/22/14/1079192214.db2.gz DIYYXOOMQJITHL-JRGCBEDISA-N 1 1 419.591 2.854 20 0 HFADMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCCc3cn(C(C)C)nc32)C1 ZINC000805636742 1079190229 /nfs/dbraw/zinc/19/02/29/1079190229.db2.gz BGMGXITUNRRXDC-PKOBYXMFSA-N 1 1 417.598 2.974 20 0 HFADMO COc1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cn1 ZINC000805652133 1079203679 /nfs/dbraw/zinc/20/36/79/1079203679.db2.gz NZHWJBKRQWJKNX-UHFFFAOYSA-N 1 1 419.481 2.745 20 0 HFADMO C[C@@H](OC(=O)c1cc(-n2cccc2)ccn1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000805711392 1079232437 /nfs/dbraw/zinc/23/24/37/1079232437.db2.gz JPYBGSVYKPAMEM-UYAOXDASSA-N 1 1 418.497 2.808 20 0 HFADMO Cc1ccc(N(C(=O)C[N@@H+]([C@@H](C)CO)C2CCCC2)[C@H]2C=CS(=O)(=O)C2)cc1C ZINC000805750943 1079230561 /nfs/dbraw/zinc/23/05/61/1079230561.db2.gz ASNNVXWXSQYZQJ-RXVVDRJESA-N 1 1 420.575 2.573 20 0 HFADMO Cc1ccc(N(C(=O)C[N@H+]([C@@H](C)CO)C2CCCC2)[C@H]2C=CS(=O)(=O)C2)cc1C ZINC000805750943 1079230570 /nfs/dbraw/zinc/23/05/70/1079230570.db2.gz ASNNVXWXSQYZQJ-RXVVDRJESA-N 1 1 420.575 2.573 20 0 HFADMO Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)c3cc(-n4cccc4)ccn3)CC2)c1 ZINC000805712785 1079233364 /nfs/dbraw/zinc/23/33/64/1079233364.db2.gz GMOVYFFSTJPOSN-UHFFFAOYSA-N 1 1 418.497 2.682 20 0 HFADMO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1cccc(OC)c1OC ZINC000805763154 1079264664 /nfs/dbraw/zinc/26/46/64/1079264664.db2.gz PXMJWTKZKACXCW-GOSISDBHSA-N 1 1 421.538 2.605 20 0 HFADMO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N(C)Cc1cccc(OC)c1OC ZINC000805763154 1079264666 /nfs/dbraw/zinc/26/46/66/1079264666.db2.gz PXMJWTKZKACXCW-GOSISDBHSA-N 1 1 421.538 2.605 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000805761895 1079264078 /nfs/dbraw/zinc/26/40/78/1079264078.db2.gz KWXCIIQFCVJMGU-INIZCTEOSA-N 1 1 413.465 2.847 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000805761895 1079264080 /nfs/dbraw/zinc/26/40/80/1079264080.db2.gz KWXCIIQFCVJMGU-INIZCTEOSA-N 1 1 413.465 2.847 20 0 HFADMO CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@H]1C)C2=O ZINC001130369730 1079268217 /nfs/dbraw/zinc/26/82/17/1079268217.db2.gz IJUJVJMSUSZRRK-RLRFGTRLSA-N 1 1 420.598 2.843 20 0 HFADMO C[C@@H]1[C@H](C)N(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H](C)C[N@H+]1C ZINC001130370448 1079269878 /nfs/dbraw/zinc/26/98/78/1079269878.db2.gz OLWYKSSIXFLEQP-OTWHNJEPSA-N 1 1 421.607 2.733 20 0 HFADMO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCCC[C@@H]2COC(=O)NC)cc1 ZINC000805825649 1079295646 /nfs/dbraw/zinc/29/56/46/1079295646.db2.gz BESMDXUMVSGOGQ-QUCCMNQESA-N 1 1 403.523 2.959 20 0 HFADMO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCCC[C@@H]2COC(=O)NC)cc1 ZINC000805825649 1079295650 /nfs/dbraw/zinc/29/56/50/1079295650.db2.gz BESMDXUMVSGOGQ-QUCCMNQESA-N 1 1 403.523 2.959 20 0 HFADMO O=C(C[N@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1)N1CCOC[C@H]1C1CC1 ZINC000805828913 1079298992 /nfs/dbraw/zinc/29/89/92/1079298992.db2.gz DAWHTONGQYHLJW-PMACEKPBSA-N 1 1 407.555 2.537 20 0 HFADMO O=C(C[N@@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1)N1CCOC[C@H]1C1CC1 ZINC000805828913 1079298996 /nfs/dbraw/zinc/29/89/96/1079298996.db2.gz DAWHTONGQYHLJW-PMACEKPBSA-N 1 1 407.555 2.537 20 0 HFADMO CC(C)[N@H+](C)C[C@H](O)CN1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001170491102 1079306305 /nfs/dbraw/zinc/30/63/05/1079306305.db2.gz SCQJKHZUQIMGIQ-WMZOPIPTSA-N 1 1 416.347 2.857 20 0 HFADMO CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001170491102 1079306311 /nfs/dbraw/zinc/30/63/11/1079306311.db2.gz SCQJKHZUQIMGIQ-WMZOPIPTSA-N 1 1 416.347 2.857 20 0 HFADMO CC(C)N(C)C[C@H](O)C[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001170491102 1079306318 /nfs/dbraw/zinc/30/63/18/1079306318.db2.gz SCQJKHZUQIMGIQ-WMZOPIPTSA-N 1 1 416.347 2.857 20 0 HFADMO CC(C)N(C)C[C@H](O)C[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001170491102 1079306324 /nfs/dbraw/zinc/30/63/24/1079306324.db2.gz SCQJKHZUQIMGIQ-WMZOPIPTSA-N 1 1 416.347 2.857 20 0 HFADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)OCCOc3ccccc3C(N)=O)cc2)C[C@@H](C)O1 ZINC000805881437 1079334737 /nfs/dbraw/zinc/33/47/37/1079334737.db2.gz XNYMTVVBDBIQHC-IAGOWNOFSA-N 1 1 412.486 2.631 20 0 HFADMO COCC[N@@H+]1CCN(C(=O)c2cc(OC)c(Br)c(OC)c2)C(C)(C)C1 ZINC001130416743 1079335073 /nfs/dbraw/zinc/33/50/73/1079335073.db2.gz BKHRPEJFPVWRSM-UHFFFAOYSA-N 1 1 415.328 2.649 20 0 HFADMO COCC[N@H+]1CCN(C(=O)c2cc(OC)c(Br)c(OC)c2)C(C)(C)C1 ZINC001130416743 1079335079 /nfs/dbraw/zinc/33/50/79/1079335079.db2.gz BKHRPEJFPVWRSM-UHFFFAOYSA-N 1 1 415.328 2.649 20 0 HFADMO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)CCC2 ZINC000805942333 1079345242 /nfs/dbraw/zinc/34/52/42/1079345242.db2.gz IWAKHSYBJCGOCA-KSSFIOAISA-N 1 1 400.548 2.582 20 0 HFADMO COC(=O)[C@@]1(NC(=O)C[C@@H]2OCc3ccccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC001130448183 1079349365 /nfs/dbraw/zinc/34/93/65/1079349365.db2.gz LPWQGRKCQSIMPU-XUZZJYLKSA-N 1 1 408.498 2.972 20 0 HFADMO CCO[C@H](C(=O)N[C@@]1(C(=O)OC)CCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001130448373 1079349677 /nfs/dbraw/zinc/34/96/77/1079349677.db2.gz RSYKDVYVGHJWDT-REWPJTCUSA-N 1 1 402.535 2.906 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)ccc1F ZINC000747282290 1079355592 /nfs/dbraw/zinc/35/55/92/1079355592.db2.gz MRTNWKKDHQRDGN-INIZCTEOSA-N 1 1 406.479 2.507 20 0 HFADMO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2cc3ccc(Cl)nc3cc2F)CCCO1 ZINC000762315369 1079377886 /nfs/dbraw/zinc/37/78/86/1079377886.db2.gz BWMNKJFQIYMRPZ-CYBMUJFWSA-N 1 1 415.918 2.807 20 0 HFADMO O=S(=O)(/C=C\c1cccc(Br)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000747290839 1079389317 /nfs/dbraw/zinc/38/93/17/1079389317.db2.gz OELVGUTWNWEVRQ-MLPAPPSSSA-N 1 1 415.353 2.546 20 0 HFADMO C[C@H](CNC(=O)[C@@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130472391 1079398949 /nfs/dbraw/zinc/39/89/49/1079398949.db2.gz PGPJQKXPSIWNBJ-XMJOBFJKSA-N 1 1 409.571 2.638 20 0 HFADMO C[C@H](CNC(=O)[C@@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130472391 1079398957 /nfs/dbraw/zinc/39/89/57/1079398957.db2.gz PGPJQKXPSIWNBJ-XMJOBFJKSA-N 1 1 409.571 2.638 20 0 HFADMO CCOC(=O)N1[C@H](C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1c1ccc(C)o1 ZINC001130472223 1079398972 /nfs/dbraw/zinc/39/89/72/1079398972.db2.gz NQQVRDWMQWCZBI-UJCHZGTJSA-N 1 1 421.538 2.864 20 0 HFADMO CCOC(=O)N1[C@H](C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1c1ccc(C)o1 ZINC001130472223 1079398977 /nfs/dbraw/zinc/39/89/77/1079398977.db2.gz NQQVRDWMQWCZBI-UJCHZGTJSA-N 1 1 421.538 2.864 20 0 HFADMO C[C@H]1C[C@@H](NC(=O)C(=O)NCCCCCCOc2ccc(Cl)cc2)CC[N@H+]1C ZINC000806039704 1079410498 /nfs/dbraw/zinc/41/04/98/1079410498.db2.gz UNUXPPCIYYJJMS-WMZOPIPTSA-N 1 1 409.958 2.994 20 0 HFADMO CCc1ncc(Cl)c(C(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001130527162 1079435995 /nfs/dbraw/zinc/43/59/95/1079435995.db2.gz ANVHXZJXDWRZDT-MSOLQXFVSA-N 1 1 400.910 2.808 20 0 HFADMO COc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)cnc1Br ZINC001130549567 1079486161 /nfs/dbraw/zinc/48/61/61/1079486161.db2.gz FPECYHZJDMHBPE-INIZCTEOSA-N 1 1 404.308 2.852 20 0 HFADMO COc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)cnc1Br ZINC001130549567 1079486164 /nfs/dbraw/zinc/48/61/64/1079486164.db2.gz FPECYHZJDMHBPE-INIZCTEOSA-N 1 1 404.308 2.852 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000787322288 1076766456 /nfs/dbraw/zinc/76/64/56/1076766456.db2.gz CZESIGJXWQVRAU-SQNIBIBYSA-N 1 1 424.586 2.717 20 0 HFADMO CN1C(=S)N=NC1C1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC1 ZINC000787328908 1076771112 /nfs/dbraw/zinc/77/11/12/1076771112.db2.gz DSSFDCYTNIZPBF-UHFFFAOYSA-N 1 1 419.461 2.642 20 0 HFADMO Cn1cc(C[C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3C(=O)NC3CCCC3)C2)cn1 ZINC000746677786 1076791720 /nfs/dbraw/zinc/79/17/20/1076791720.db2.gz HDHNDVYOFXNAPT-KRWDZBQOSA-N 1 1 409.534 2.596 20 0 HFADMO CN(C)c1cc(NC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)cc[nH+]1 ZINC000787415128 1076797830 /nfs/dbraw/zinc/79/78/30/1076797830.db2.gz USKRUBRURCHSKD-CYBMUJFWSA-N 1 1 400.483 2.847 20 0 HFADMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(F)(F)c3ncccc3C)C2)cc(OC)c1 ZINC000787427665 1076801969 /nfs/dbraw/zinc/80/19/69/1076801969.db2.gz VHRZUGIIYIQLES-MRXNPFEDSA-N 1 1 405.445 2.890 20 0 HFADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(F)(F)c3ncccc3C)C2)cc(OC)c1 ZINC000787427665 1076801972 /nfs/dbraw/zinc/80/19/72/1076801972.db2.gz VHRZUGIIYIQLES-MRXNPFEDSA-N 1 1 405.445 2.890 20 0 HFADMO Cc1cc(C(=O)C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c(C)n1NC(=O)c1ccccc1 ZINC000746681199 1076813040 /nfs/dbraw/zinc/81/30/40/1076813040.db2.gz WKBBJLFNJCEKMT-LJQANCHMSA-N 1 1 419.529 2.970 20 0 HFADMO Cc1cc(C(=O)C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c(C)n1NC(=O)c1ccccc1 ZINC000746681199 1076813047 /nfs/dbraw/zinc/81/30/47/1076813047.db2.gz WKBBJLFNJCEKMT-LJQANCHMSA-N 1 1 419.529 2.970 20 0 HFADMO CC[NH+](CC)Cc1cccc(CNC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000746685913 1076821705 /nfs/dbraw/zinc/82/17/05/1076821705.db2.gz LDPMGHKWSZJYBI-UHFFFAOYSA-N 1 1 410.543 2.843 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(C)[C@H](C)Cc2ccc(C)cc2)cn1 ZINC000787488421 1076823363 /nfs/dbraw/zinc/82/33/63/1076823363.db2.gz XDOWGVTVRZSSLY-QGZVFWFLSA-N 1 1 405.502 2.590 20 0 HFADMO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000746686766 1076829282 /nfs/dbraw/zinc/82/92/82/1076829282.db2.gz UDMPMHWIFXZEJG-OWCLPIDISA-N 1 1 400.548 2.549 20 0 HFADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000746686766 1076829289 /nfs/dbraw/zinc/82/92/89/1076829289.db2.gz UDMPMHWIFXZEJG-OWCLPIDISA-N 1 1 400.548 2.549 20 0 HFADMO C[C@@H](NC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)C1=CC[N@@H+](C)CC1 ZINC000787511918 1076831012 /nfs/dbraw/zinc/83/10/12/1076831012.db2.gz ZYEGEJGAGIOXBQ-ZBFHGGJFSA-N 1 1 403.527 2.514 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cn1 ZINC000787476818 1076837441 /nfs/dbraw/zinc/83/74/41/1076837441.db2.gz FORGVPUJDZHMOJ-UYAOXDASSA-N 1 1 421.476 2.784 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)cn1 ZINC000787477543 1076837761 /nfs/dbraw/zinc/83/77/61/1076837761.db2.gz KCAHBKXLWSJURF-HXUWFJFHSA-N 1 1 421.476 2.565 20 0 HFADMO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000746687244 1076840376 /nfs/dbraw/zinc/84/03/76/1076840376.db2.gz OFZWKJGWOZDHBB-HOTGVXAUSA-N 1 1 402.564 2.560 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)cn1 ZINC000787484025 1076841520 /nfs/dbraw/zinc/84/15/20/1076841520.db2.gz IVYWYTZMMJSRKT-CTNGQTDRSA-N 1 1 417.513 2.720 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@](C)(c3ccccc3)C2)cn1 ZINC000787486405 1076844458 /nfs/dbraw/zinc/84/44/58/1076844458.db2.gz QOKWFJWOKXBCMR-DEOSSOPVSA-N 1 1 417.513 2.772 20 0 HFADMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787529717 1076849718 /nfs/dbraw/zinc/84/97/18/1076849718.db2.gz KJNBZIXGLYTUFY-JKSUJKDBSA-N 1 1 405.543 2.737 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000787584842 1076873901 /nfs/dbraw/zinc/87/39/01/1076873901.db2.gz LINJEFPDLZJDQM-UHFFFAOYSA-N 1 1 416.349 2.683 20 0 HFADMO CC[C@@H](CNC(=O)C(=O)N[C@@H](C)COc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000787631194 1076883839 /nfs/dbraw/zinc/88/38/39/1076883839.db2.gz ISHJHFDQRXPWDZ-RXVVDRJESA-N 1 1 409.530 2.523 20 0 HFADMO CC[C@@H](CNC(=O)C(=O)NCc1cc(C)cc(Cl)n1)[N@H+]1CCc2ccccc2C1 ZINC000787631630 1076884700 /nfs/dbraw/zinc/88/47/00/1076884700.db2.gz LUDVQVDPWHCCDN-IBGZPJMESA-N 1 1 414.937 2.613 20 0 HFADMO C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(NS(=O)(=O)/C=C/c4ccccc4)cc3)C[C@H]2C1 ZINC000787636092 1076886271 /nfs/dbraw/zinc/88/62/71/1076886271.db2.gz OVTNOOBNMDWCBV-APMBYPPYSA-N 1 1 411.527 2.733 20 0 HFADMO C[C@H](NC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000787674490 1076890010 /nfs/dbraw/zinc/89/00/10/1076890010.db2.gz HRILGBLJYYYGTJ-KBPBESRZSA-N 1 1 401.429 2.611 20 0 HFADMO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000787668850 1076905153 /nfs/dbraw/zinc/90/51/53/1076905153.db2.gz HPOAZHXSCLPLJI-RDJZCZTQSA-N 1 1 411.468 2.869 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000787679575 1076908937 /nfs/dbraw/zinc/90/89/37/1076908937.db2.gz TUZUDKZFCSCRMS-LJQANCHMSA-N 1 1 421.541 2.795 20 0 HFADMO C[NH+]1CCN(c2cc(N[C@@H](Cc3ccccc3)C(=O)NC3CCCCC3)ncn2)CC1 ZINC001170076735 1076912138 /nfs/dbraw/zinc/91/21/38/1076912138.db2.gz UHVTVJUJWSSBLM-NRFANRHFSA-N 1 1 422.577 2.701 20 0 HFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)C1 ZINC000787710042 1076921324 /nfs/dbraw/zinc/92/13/24/1076921324.db2.gz ZPHSOUXREWXAHL-FCGDIQPGSA-N 1 1 421.607 2.647 20 0 HFADMO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787877832 1076973789 /nfs/dbraw/zinc/97/37/89/1076973789.db2.gz DIBVBBUUXOPEES-HZPDHXFCSA-N 1 1 405.543 2.737 20 0 HFADMO Cc1sccc1CC(=O)O[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000787866612 1076986637 /nfs/dbraw/zinc/98/66/37/1076986637.db2.gz ZFUNZBDGIMAJCX-INIZCTEOSA-N 1 1 416.543 2.679 20 0 HFADMO Cc1ccc(N2CCCN(C(=O)C(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000787908003 1076990383 /nfs/dbraw/zinc/99/03/83/1076990383.db2.gz FWWIMHUNQCZVME-OAQYLSRUSA-N 1 1 414.594 2.662 20 0 HFADMO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000787913636 1076992652 /nfs/dbraw/zinc/99/26/52/1076992652.db2.gz WVNQQFMUVZMEBF-TZIWHRDSSA-N 1 1 403.567 2.505 20 0 HFADMO C[C@@]1(CNC(=O)C(=O)NCCc2c(F)cccc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000787917704 1076995103 /nfs/dbraw/zinc/99/51/03/1076995103.db2.gz OUMZGQWEABXBIM-QHCPKHFHSA-N 1 1 415.484 2.652 20 0 HFADMO CC(C)[C@H](NC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1)C(F)(F)F ZINC000787962556 1077010135 /nfs/dbraw/zinc/01/01/35/1077010135.db2.gz LNGGYGRFKNBPEH-HNNXBMFYSA-N 1 1 420.863 2.733 20 0 HFADMO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000787993796 1077021456 /nfs/dbraw/zinc/02/14/56/1077021456.db2.gz XVMWAYUZAZXOSX-IZIIKQMZSA-N 1 1 415.578 2.726 20 0 HFADMO COc1ccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc1NC(=O)OC(C)(C)C ZINC000788036541 1077035989 /nfs/dbraw/zinc/03/59/89/1077035989.db2.gz JWUXEVHLKIUTGN-CABCVRRESA-N 1 1 422.526 2.961 20 0 HFADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@](F)(COC(=O)c2cccc(OCC(N)=O)c2)C1 ZINC000788038400 1077036194 /nfs/dbraw/zinc/03/61/94/1077036194.db2.gz BQTOUOCXGJCLLE-ZHRRBRCNSA-N 1 1 400.450 2.883 20 0 HFADMO O=C(OCc1ccccc1)N1CCC(C[NH+]2CCN(C[C@H]3CCOC3)CC2)CC1 ZINC000788022006 1077048396 /nfs/dbraw/zinc/04/83/96/1077048396.db2.gz KILFAOBATFPQKY-JOCHJYFZSA-N 1 1 401.551 2.689 20 0 HFADMO C[C@H](OC(=O)[C@H](C)N1CCc2ccccc21)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000788137808 1077062559 /nfs/dbraw/zinc/06/25/59/1077062559.db2.gz NQRDZEMQTAARMF-CNNODRBYSA-N 1 1 421.541 2.760 20 0 HFADMO CCN1CC[NH+](Cc2ccc(CNC(=O)CC3CCC4(CC3)OCCO4)cc2)CC1 ZINC000788167328 1077073312 /nfs/dbraw/zinc/07/33/12/1077073312.db2.gz PAQUGBAJFQLIPR-UHFFFAOYSA-N 1 1 415.578 2.764 20 0 HFADMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)CC3CCC4(CC3)OCCO4)C2)cc(OC)c1 ZINC000788227885 1077083272 /nfs/dbraw/zinc/08/32/72/1077083272.db2.gz PBRSMNBNPPAIIF-LJQANCHMSA-N 1 1 418.534 2.718 20 0 HFADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)CC3CCC4(CC3)OCCO4)C2)cc(OC)c1 ZINC000788227885 1077083277 /nfs/dbraw/zinc/08/32/77/1077083277.db2.gz PBRSMNBNPPAIIF-LJQANCHMSA-N 1 1 418.534 2.718 20 0 HFADMO COc1ccc(Cl)cc1-c1nc(=S)n(CN(C)[C@H](C)C[NH+]2CCOCC2)[nH]1 ZINC000788376443 1077133988 /nfs/dbraw/zinc/13/39/88/1077133988.db2.gz GGTHXGLSNMLJKX-CYBMUJFWSA-N 1 1 411.959 2.880 20 0 HFADMO O=C1C[C@]2(CCc3ccccc32)C(=O)N1CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788383451 1077137828 /nfs/dbraw/zinc/13/78/28/1077137828.db2.gz YSWWNDGLBVRTON-VWLOTQADSA-N 1 1 418.541 2.999 20 0 HFADMO Cc1ccc(O[C@@H](C)CNC(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000788414214 1077157764 /nfs/dbraw/zinc/15/77/64/1077157764.db2.gz VMBZKCNYOCIYAH-CPJSRVTESA-N 1 1 423.557 2.907 20 0 HFADMO CC(C)(C)OC(=O)N1CCN(CC[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000788470177 1077169974 /nfs/dbraw/zinc/16/99/74/1077169974.db2.gz MLYNZONNNSCGEH-UHFFFAOYSA-N 1 1 420.573 2.886 20 0 HFADMO C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCCSC(F)(F)F)[C@H]1c1cccs1 ZINC000788543362 1077195354 /nfs/dbraw/zinc/19/53/54/1077195354.db2.gz UTOJPGWGLIIDEY-AAEUAGOBSA-N 1 1 409.499 2.616 20 0 HFADMO CCN(CCC[NH+]1CCCC1)C(=O)c1cccc(I)c1O ZINC000788546872 1077196485 /nfs/dbraw/zinc/19/64/85/1077196485.db2.gz HKMAQHOOENICER-UHFFFAOYSA-N 1 1 402.276 2.945 20 0 HFADMO O=C(CC1CCC2(CC1)OCCO2)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000788527329 1077203248 /nfs/dbraw/zinc/20/32/48/1077203248.db2.gz YQFGZDACOSICFC-NRFANRHFSA-N 1 1 402.535 2.583 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)NCCSC(F)(F)F ZINC000788529916 1077203844 /nfs/dbraw/zinc/20/38/44/1077203844.db2.gz VUINSOMJPLSFDC-FOLVSLTJSA-N 1 1 417.497 2.628 20 0 HFADMO CC(C)(C)OC(=O)NC1CCC(Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)CC1 ZINC000788609284 1077205941 /nfs/dbraw/zinc/20/59/41/1077205941.db2.gz OTKKFLBXSSETQN-UHFFFAOYSA-N 1 1 402.539 2.778 20 0 HFADMO CC(C)(C)OC(=O)NC1CCC(Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)CC1 ZINC000788609284 1077205945 /nfs/dbraw/zinc/20/59/45/1077205945.db2.gz OTKKFLBXSSETQN-UHFFFAOYSA-N 1 1 402.539 2.778 20 0 HFADMO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H](Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)C1 ZINC000788608633 1077206227 /nfs/dbraw/zinc/20/62/27/1077206227.db2.gz KMLCYHZRTJGUMY-SJORKVTESA-N 1 1 409.477 2.699 20 0 HFADMO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H](Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)C1 ZINC000788608633 1077206232 /nfs/dbraw/zinc/20/62/32/1077206232.db2.gz KMLCYHZRTJGUMY-SJORKVTESA-N 1 1 409.477 2.699 20 0 HFADMO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000788611019 1077207206 /nfs/dbraw/zinc/20/72/06/1077207206.db2.gz WUGZHGGFLQWFQX-APWZRJJASA-N 1 1 402.539 2.635 20 0 HFADMO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000788611019 1077207209 /nfs/dbraw/zinc/20/72/09/1077207209.db2.gz WUGZHGGFLQWFQX-APWZRJJASA-N 1 1 402.539 2.635 20 0 HFADMO C[C@@H]1CN(c2ccc(NC(=O)N(C)CC[N@@H+]3CCOC(C)(C)C3)cc2)C[C@@H](C)O1 ZINC000788587607 1077213875 /nfs/dbraw/zinc/21/38/75/1077213875.db2.gz HXAQTSQOBSYRMX-QZTJIDSGSA-N 1 1 404.555 2.875 20 0 HFADMO C[C@@H]1CN(c2ccc(NC(=O)N(C)CC[N@H+]3CCOC(C)(C)C3)cc2)C[C@@H](C)O1 ZINC000788587607 1077213880 /nfs/dbraw/zinc/21/38/80/1077213880.db2.gz HXAQTSQOBSYRMX-QZTJIDSGSA-N 1 1 404.555 2.875 20 0 HFADMO C[C@@H](Oc1cccc(C=O)c1)C(=O)O[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000746752514 1077220344 /nfs/dbraw/zinc/22/03/44/1077220344.db2.gz KCJPCQNTIRTMNI-WAOWUJCRSA-N 1 1 424.497 2.589 20 0 HFADMO C[C@H](OC(=O)[C@H](C)Oc1cccc(C=O)c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000746752515 1077220494 /nfs/dbraw/zinc/22/04/94/1077220494.db2.gz KCJPCQNTIRTMNI-WFXMLNOXSA-N 1 1 424.497 2.589 20 0 HFADMO COC(=O)c1sc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c(C)c1Cl ZINC000788636594 1077241597 /nfs/dbraw/zinc/24/15/97/1077241597.db2.gz SAJCWJDGCUBZGZ-GFCCVEGCSA-N 1 1 408.973 2.991 20 0 HFADMO CN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788687838 1077251520 /nfs/dbraw/zinc/25/15/20/1077251520.db2.gz GETRCAHRVUHRND-YADHBBJMSA-N 1 1 406.530 2.703 20 0 HFADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000788665003 1077259467 /nfs/dbraw/zinc/25/94/67/1077259467.db2.gz IJAPJAKQRGCKDX-ZDUSSCGKSA-N 1 1 406.880 2.686 20 0 HFADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000788666405 1077259841 /nfs/dbraw/zinc/25/98/41/1077259841.db2.gz ZIAFWDZVFRQKTG-PLACYPQZSA-N 1 1 422.529 2.664 20 0 HFADMO CCOc1ccc(N2C[C@H](C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)CC2=O)cc1 ZINC000746951260 1077260265 /nfs/dbraw/zinc/26/02/65/1077260265.db2.gz SENPZCGUBIKXMO-KNQAVFIVSA-N 1 1 407.514 2.954 20 0 HFADMO CCOc1ccc(N2C[C@H](C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)CC2=O)cc1 ZINC000746951260 1077260271 /nfs/dbraw/zinc/26/02/71/1077260271.db2.gz SENPZCGUBIKXMO-KNQAVFIVSA-N 1 1 407.514 2.954 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)NCc3c[nH+]c4n3CCCC4)C2)C1 ZINC000790973552 1077268008 /nfs/dbraw/zinc/26/80/08/1077268008.db2.gz VATTYFZWQPADEH-OAQYLSRUSA-N 1 1 403.527 2.762 20 0 HFADMO COC(=O)c1ccc(CNC(=O)NCc2c[nH+]c3n2CCCC3)c(Br)c1 ZINC000790974069 1077268256 /nfs/dbraw/zinc/26/82/56/1077268256.db2.gz ZQBHZVDPFCJTRQ-UHFFFAOYSA-N 1 1 421.295 2.768 20 0 HFADMO O=C(CN1CCc2ccccc2C1=O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000788727824 1077273582 /nfs/dbraw/zinc/27/35/82/1077273582.db2.gz SVUGCIVKTFMFQR-UHFFFAOYSA-N 1 1 414.509 2.578 20 0 HFADMO CCOC(=O)[C@@H]1[C@H]([NH2+]C2(C(=O)Nc3ccccc3)CC2)CCN1C(=O)OC(C)(C)C ZINC000788765298 1077281156 /nfs/dbraw/zinc/28/11/56/1077281156.db2.gz MSMGNBUHRBMMMX-SJORKVTESA-N 1 1 417.506 2.688 20 0 HFADMO O=C(Nc1ccccc1)C1CC[NH+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)CC1 ZINC000788768147 1077282233 /nfs/dbraw/zinc/28/22/33/1077282233.db2.gz CPNXGCHQQOTVMR-HXUWFJFHSA-N 1 1 405.498 2.912 20 0 HFADMO C[C@@]1(CNC(=O)c2ccc(F)c(S(C)(=O)=O)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000791056278 1077284855 /nfs/dbraw/zinc/28/48/55/1077284855.db2.gz ROWXGNADEMIISV-NRFANRHFSA-N 1 1 404.507 2.871 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000791062237 1077286688 /nfs/dbraw/zinc/28/66/88/1077286688.db2.gz SPNCVXHLWFCHSF-FBVQUNGASA-N 1 1 421.582 2.685 20 0 HFADMO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000788798323 1077291259 /nfs/dbraw/zinc/29/12/59/1077291259.db2.gz PRZMHRGTBQJSIR-JXFKEZNVSA-N 1 1 416.566 2.978 20 0 HFADMO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000788798323 1077291264 /nfs/dbraw/zinc/29/12/64/1077291264.db2.gz PRZMHRGTBQJSIR-JXFKEZNVSA-N 1 1 416.566 2.978 20 0 HFADMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](CN3C(=O)C[C@@H](Cc4ccccc4)C3=O)C2)n1 ZINC000788773992 1077296983 /nfs/dbraw/zinc/29/69/83/1077296983.db2.gz ZSKYLGGVYSMASF-VQTJNVASSA-N 1 1 420.513 2.616 20 0 HFADMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](CN3C(=O)C[C@@H](Cc4ccccc4)C3=O)C2)n1 ZINC000788773992 1077296989 /nfs/dbraw/zinc/29/69/89/1077296989.db2.gz ZSKYLGGVYSMASF-VQTJNVASSA-N 1 1 420.513 2.616 20 0 HFADMO CN1N=C(C(=O)NC[C@@H](c2ccc(Cl)cc2)[N@H+](C)CCC(F)(F)F)CCC1=O ZINC000791095328 1077298807 /nfs/dbraw/zinc/29/88/07/1077298807.db2.gz PFFPFAYRPONCKI-HNNXBMFYSA-N 1 1 418.847 2.990 20 0 HFADMO CN1N=C(C(=O)NC[C@@H](c2ccc(Cl)cc2)[N@@H+](C)CCC(F)(F)F)CCC1=O ZINC000791095328 1077298815 /nfs/dbraw/zinc/29/88/15/1077298815.db2.gz PFFPFAYRPONCKI-HNNXBMFYSA-N 1 1 418.847 2.990 20 0 HFADMO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CN1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000788781149 1077299824 /nfs/dbraw/zinc/29/98/24/1077299824.db2.gz ZGNKIRGSQGTPRS-BHIYHBOVSA-N 1 1 415.534 2.797 20 0 HFADMO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CN1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000788781149 1077299831 /nfs/dbraw/zinc/29/98/31/1077299831.db2.gz ZGNKIRGSQGTPRS-BHIYHBOVSA-N 1 1 415.534 2.797 20 0 HFADMO COC[C@@]1(C)NC(=O)N(C[N@@H+](Cc2cccc(Br)c2)CC2CC2)C1=O ZINC000788782177 1077300365 /nfs/dbraw/zinc/30/03/65/1077300365.db2.gz ZJZXTHQCAURXGB-GOSISDBHSA-N 1 1 410.312 2.576 20 0 HFADMO COC[C@@]1(C)NC(=O)N(C[N@H+](Cc2cccc(Br)c2)CC2CC2)C1=O ZINC000788782177 1077300372 /nfs/dbraw/zinc/30/03/72/1077300372.db2.gz ZJZXTHQCAURXGB-GOSISDBHSA-N 1 1 410.312 2.576 20 0 HFADMO CN(C)[C@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000746767152 1077310366 /nfs/dbraw/zinc/31/03/66/1077310366.db2.gz VBSLFNREPNYVFZ-VQTJNVASSA-N 1 1 408.974 2.885 20 0 HFADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)C1 ZINC000788851332 1077319871 /nfs/dbraw/zinc/31/98/71/1077319871.db2.gz UKOBHTDIWCXJCT-LJQANCHMSA-N 1 1 424.973 2.892 20 0 HFADMO CC(C)[C@H](NC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1)[C@@H](O)c1ccccc1 ZINC000788861638 1077322900 /nfs/dbraw/zinc/32/29/00/1077322900.db2.gz VDFVQWSGBMWIRX-ZEQRLZLVSA-N 1 1 424.589 2.991 20 0 HFADMO CC(C)[C@@H](NC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1)[C@H](O)c1ccccc1 ZINC000788861636 1077322948 /nfs/dbraw/zinc/32/29/48/1077322948.db2.gz VDFVQWSGBMWIRX-DNQXCXABSA-N 1 1 424.589 2.991 20 0 HFADMO C[C@H](OC(=O)c1c(F)cc(O)cc1F)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000746986378 1077323863 /nfs/dbraw/zinc/32/38/63/1077323863.db2.gz JAZGZYYBYXMFES-AWEZNQCLSA-N 1 1 418.440 2.997 20 0 HFADMO C[NH+]1CCN([C@H](C(=O)N2CCC(Oc3ccc(F)nc3)CC2)c2ccccc2)CC1 ZINC000791168782 1077324151 /nfs/dbraw/zinc/32/41/51/1077324151.db2.gz OVLBLYGSDHYTSB-QFIPXVFZSA-N 1 1 412.509 2.579 20 0 HFADMO O=C(CSc1cccc[n+]1[O-])Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000772727130 1077346109 /nfs/dbraw/zinc/34/61/09/1077346109.db2.gz BVIRJPZRSWXPFG-GOSISDBHSA-N 1 1 409.515 2.694 20 0 HFADMO CC(C)N(CCCNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000788963714 1077364472 /nfs/dbraw/zinc/36/44/72/1077364472.db2.gz KZJPWRFWOZVOOJ-HDICACEKSA-N 1 1 414.591 2.773 20 0 HFADMO CC(C)N(CCCNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000788963714 1077364479 /nfs/dbraw/zinc/36/44/79/1077364479.db2.gz KZJPWRFWOZVOOJ-HDICACEKSA-N 1 1 414.591 2.773 20 0 HFADMO COc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)cc1 ZINC000746994953 1077365608 /nfs/dbraw/zinc/36/56/08/1077365608.db2.gz VJQNFTJZHZGZPY-KRWDZBQOSA-N 1 1 410.518 2.653 20 0 HFADMO CC(C)(CNC(=O)C(=O)Nc1ccnn1C1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000746781509 1077379541 /nfs/dbraw/zinc/37/95/41/1077379541.db2.gz DVVLLBKEUYOGOJ-UHFFFAOYSA-N 1 1 409.534 2.890 20 0 HFADMO C[C@@H](NC(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1)C1([NH+]2CCOCC2)CCCC1 ZINC000791371246 1077385383 /nfs/dbraw/zinc/38/53/83/1077385383.db2.gz IXQOEXXMILGKFO-KDOFPFPSSA-N 1 1 407.461 2.608 20 0 HFADMO CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000789066643 1077396051 /nfs/dbraw/zinc/39/60/51/1077396051.db2.gz QOZBHSUDDXULAU-FGTMMUONSA-N 1 1 414.591 2.676 20 0 HFADMO CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000789066643 1077396060 /nfs/dbraw/zinc/39/60/60/1077396060.db2.gz QOZBHSUDDXULAU-FGTMMUONSA-N 1 1 414.591 2.676 20 0 HFADMO Cc1nc(CC2CC2)oc1C(=O)O[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000789153149 1077436803 /nfs/dbraw/zinc/43/68/03/1077436803.db2.gz VVWPHTINRPCPPB-APWZRJJASA-N 1 1 411.502 2.872 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000791467595 1077440646 /nfs/dbraw/zinc/44/06/46/1077440646.db2.gz OYMJEUDFLIWJTA-VGSWGCGISA-N 1 1 409.486 2.588 20 0 HFADMO COc1cccc(C2=NO[C@@H](C(=O)Nc3ccc(C[NH+]4CCN(C)CC4)cc3)C2)c1 ZINC000791510282 1077449171 /nfs/dbraw/zinc/44/91/71/1077449171.db2.gz ORPCTARCJCKTCB-JOCHJYFZSA-N 1 1 408.502 2.574 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@H](C)[N@H+]3CCc4ccccc4C3)C2)c1 ZINC000791510235 1077449239 /nfs/dbraw/zinc/44/92/39/1077449239.db2.gz NYDWCIGUTMEHIG-QMHKHESXSA-N 1 1 423.513 2.760 20 0 HFADMO C[C@H]1C[N@@H+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@H](C2CC2)O1 ZINC000791552552 1077475636 /nfs/dbraw/zinc/47/56/36/1077475636.db2.gz IFERVALRWJSLHT-LRGNLBRXSA-N 1 1 404.551 2.983 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@@H]3CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000791596147 1077496758 /nfs/dbraw/zinc/49/67/58/1077496758.db2.gz YTEDWRUSHCZFFC-MBSDFSHPSA-N 1 1 423.513 2.978 20 0 HFADMO Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)[C@@H]3CC(=O)c4ccccc43)CC2)c1 ZINC000789297451 1077504516 /nfs/dbraw/zinc/50/45/16/1077504516.db2.gz UXSTZGHGIZLJGT-OAQYLSRUSA-N 1 1 406.482 2.553 20 0 HFADMO CC(C)n1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC001086600402 1077506554 /nfs/dbraw/zinc/50/65/54/1077506554.db2.gz QUGSKVZTSQCEHJ-RBKMHILSSA-N 1 1 420.557 2.972 20 0 HFADMO CC(C)n1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC001086600402 1077506557 /nfs/dbraw/zinc/50/65/57/1077506557.db2.gz QUGSKVZTSQCEHJ-RBKMHILSSA-N 1 1 420.557 2.972 20 0 HFADMO CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+](C[C@H](O)CC3CCCC3)C2)CC1 ZINC000789309787 1077509212 /nfs/dbraw/zinc/50/92/12/1077509212.db2.gz LPCPUXLKDVOANV-VQTJNVASSA-N 1 1 423.598 2.719 20 0 HFADMO CS(=O)(=O)c1ccc([C@H](O)C[NH+]2CCC(COc3ccc(Cl)nc3)CC2)cc1 ZINC000789310861 1077509520 /nfs/dbraw/zinc/50/95/20/1077509520.db2.gz JEVOOVGGKRRAAV-LJQANCHMSA-N 1 1 424.950 2.963 20 0 HFADMO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000791648102 1077510802 /nfs/dbraw/zinc/51/08/02/1077510802.db2.gz QOVYIGJBBPIBMU-JFIYKMOQSA-N 1 1 409.324 2.512 20 0 HFADMO C[C@@](O)(CN1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000789355570 1077515283 /nfs/dbraw/zinc/51/52/83/1077515283.db2.gz DSVXSPQTCKDDAX-JOCHJYFZSA-N 1 1 417.575 2.710 20 0 HFADMO Cc1ccc([C@](O)(CC(=O)OCCC[NH+]2CCN(C(C)C)CC2)C(F)(F)F)o1 ZINC000791673170 1077524303 /nfs/dbraw/zinc/52/43/03/1077524303.db2.gz BQKSDSMUAGWQDT-GOSISDBHSA-N 1 1 406.445 2.687 20 0 HFADMO CCOC(=O)Nc1ccc2c(C[N@@H+](C)[C@H](C)CN3CCOCC3)cc(=O)oc2c1 ZINC000789333577 1077525830 /nfs/dbraw/zinc/52/58/30/1077525830.db2.gz BNUIEQHSJUHVRW-OAHLLOKOSA-N 1 1 403.479 2.514 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000789363151 1077538254 /nfs/dbraw/zinc/53/82/54/1077538254.db2.gz GOPOKFOHTKKHFA-HNNXBMFYSA-N 1 1 411.458 2.681 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000789363151 1077538260 /nfs/dbraw/zinc/53/82/60/1077538260.db2.gz GOPOKFOHTKKHFA-HNNXBMFYSA-N 1 1 411.458 2.681 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC(=O)NC(=O)NCc1cccs1 ZINC000789366808 1077540354 /nfs/dbraw/zinc/54/03/54/1077540354.db2.gz WLLUPSNLVAQHEB-AWEZNQCLSA-N 1 1 416.503 2.724 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC(=O)NC(=O)NCc1cccs1 ZINC000789366808 1077540359 /nfs/dbraw/zinc/54/03/59/1077540359.db2.gz WLLUPSNLVAQHEB-AWEZNQCLSA-N 1 1 416.503 2.724 20 0 HFADMO COc1nc(Br)ccc1NC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000789377658 1077546122 /nfs/dbraw/zinc/54/61/22/1077546122.db2.gz BPOXZWAOIBETSY-UHFFFAOYSA-N 1 1 406.284 2.910 20 0 HFADMO CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC000746813245 1077555482 /nfs/dbraw/zinc/55/54/82/1077555482.db2.gz HPWJIHMTZDKFGW-UHFFFAOYSA-N 1 1 418.538 2.771 20 0 HFADMO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000791829042 1077576600 /nfs/dbraw/zinc/57/66/00/1077576600.db2.gz UNDOYMZDJBKOOM-NVBHJRBHSA-N 1 1 401.576 2.883 20 0 HFADMO COC(=O)C1=C(C[N@H+]2CCC[C@@]2(CO)CC(C)C)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000789504094 1077598530 /nfs/dbraw/zinc/59/85/30/1077598530.db2.gz LTZBCUAOBIAHNG-OFNKIYASSA-N 1 1 415.534 2.683 20 0 HFADMO C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791940528 1077600851 /nfs/dbraw/zinc/60/08/51/1077600851.db2.gz UVSBWPCZDYLNLV-QIJUGHKUSA-N 1 1 407.514 2.892 20 0 HFADMO CC(C)(C)OC(=O)NC1(CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CCC1 ZINC000746824295 1077600903 /nfs/dbraw/zinc/60/09/03/1077600903.db2.gz KJFAMAARGNUMCC-UHFFFAOYSA-N 1 1 417.550 2.973 20 0 HFADMO O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791947715 1077604852 /nfs/dbraw/zinc/60/48/52/1077604852.db2.gz XAJPMMRTUSAIAM-HDICACEKSA-N 1 1 420.481 2.887 20 0 HFADMO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000789521356 1077616887 /nfs/dbraw/zinc/61/68/87/1077616887.db2.gz TVZRMCOMESDKAB-GBXCKJPGSA-N 1 1 422.529 2.945 20 0 HFADMO CCNC(=O)C[C@@H]1CCCC[N@H+]1CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000789521356 1077616890 /nfs/dbraw/zinc/61/68/90/1077616890.db2.gz TVZRMCOMESDKAB-GBXCKJPGSA-N 1 1 422.529 2.945 20 0 HFADMO CC(=O)Nc1ccc2c(C[N@@H+](C)[C@H]3CCN(Cc4ccccc4)C3=O)cc(=O)oc2c1 ZINC000789523398 1077619820 /nfs/dbraw/zinc/61/98/20/1077619820.db2.gz YSCXKXPYPZJBBM-NRFANRHFSA-N 1 1 419.481 2.984 20 0 HFADMO CC(=O)Nc1ccc2c(C[N@H+](C)[C@H]3CCN(Cc4ccccc4)C3=O)cc(=O)oc2c1 ZINC000789523398 1077619824 /nfs/dbraw/zinc/61/98/24/1077619824.db2.gz YSCXKXPYPZJBBM-NRFANRHFSA-N 1 1 419.481 2.984 20 0 HFADMO O=C(NCc1cccnc1-n1ccnc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792014732 1077650071 /nfs/dbraw/zinc/65/00/71/1077650071.db2.gz MDDHWZDFEVTDHX-OYRHEFFESA-N 1 1 402.502 2.541 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCCC[N@@H+](C)C3CCCCC3)C2)c1 ZINC000792053105 1077658938 /nfs/dbraw/zinc/65/89/38/1077658938.db2.gz XIZDRAURLBJHKU-OAQYLSRUSA-N 1 1 403.523 2.968 20 0 HFADMO O=C(NCc1ccnc(-n2ccnc2)c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792058734 1077664177 /nfs/dbraw/zinc/66/41/77/1077664177.db2.gz AKBJXMLLLJKYAL-OYRHEFFESA-N 1 1 402.502 2.541 20 0 HFADMO CCC(=O)Nc1cccc(CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792062046 1077670124 /nfs/dbraw/zinc/67/01/24/1077670124.db2.gz QAMGUNNMHGPFNL-UHFFFAOYSA-N 1 1 418.538 2.594 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3ccc(-n4cc[nH+]c4C)nc3)C2)c1 ZINC000792063051 1077671445 /nfs/dbraw/zinc/67/14/45/1077671445.db2.gz ZDTBDDPSIOHQPA-IBGZPJMESA-N 1 1 407.430 2.725 20 0 HFADMO COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CC(c4cccc(OC)c4)=NO3)CC2)cc1 ZINC000792045357 1077691518 /nfs/dbraw/zinc/69/15/18/1077691518.db2.gz SEIWWUWHBBCPNZ-QHCPKHFHSA-N 1 1 423.513 2.931 20 0 HFADMO CCC(CC)[C@H](CNC(=O)c1nc(Br)ccc1F)[NH+]1CCOCC1 ZINC000792051579 1077694729 /nfs/dbraw/zinc/69/47/29/1077694729.db2.gz CUZICWZYTVGTBT-AWEZNQCLSA-N 1 1 402.308 2.850 20 0 HFADMO C[N@H+](Cc1ccccc1OCC(=O)N1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789594431 1077701863 /nfs/dbraw/zinc/70/18/63/1077701863.db2.gz MUTQIGNDJZOCLO-JOCHJYFZSA-N 1 1 421.541 2.921 20 0 HFADMO C[N@@H+](Cc1ccccc1OCC(=O)N1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789594431 1077701869 /nfs/dbraw/zinc/70/18/69/1077701869.db2.gz MUTQIGNDJZOCLO-JOCHJYFZSA-N 1 1 421.541 2.921 20 0 HFADMO COCC[N@H+]1CCCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000792082850 1077707064 /nfs/dbraw/zinc/70/70/64/1077707064.db2.gz HIHXGHPWQDPESK-LJQANCHMSA-N 1 1 423.529 2.615 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CCC(C[N@@H+](C)C(C)C)CC3)C2)c1 ZINC000792086039 1077709821 /nfs/dbraw/zinc/70/98/21/1077709821.db2.gz XONFQUNKWKTAAE-NRFANRHFSA-N 1 1 403.523 2.776 20 0 HFADMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2nc(Br)ccc2F)C[C@H](C)O1 ZINC000792087110 1077710596 /nfs/dbraw/zinc/71/05/96/1077710596.db2.gz YHWMHTPAVIMRKV-XQQFMLRXSA-N 1 1 400.292 2.697 20 0 HFADMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2nc(Br)ccc2F)C[C@H](C)O1 ZINC000792087110 1077710599 /nfs/dbraw/zinc/71/05/99/1077710599.db2.gz YHWMHTPAVIMRKV-XQQFMLRXSA-N 1 1 400.292 2.697 20 0 HFADMO COC(=O)c1cc(C)ccc1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792135865 1077718674 /nfs/dbraw/zinc/71/86/74/1077718674.db2.gz FMLCCPNSZYZKCJ-UHFFFAOYSA-N 1 1 405.495 2.663 20 0 HFADMO COc1cccc(C2=NO[C@H](C(=O)NC[C@H]3CC[N@@H+](CCc4ccccc4)C3)C2)c1 ZINC000792137444 1077719245 /nfs/dbraw/zinc/71/92/45/1077719245.db2.gz RHRRSDDJVZWTOW-XXBNENTESA-N 1 1 407.514 2.869 20 0 HFADMO Cc1nc2c(s1)[C@H](NC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000789651327 1077719650 /nfs/dbraw/zinc/71/96/50/1077719650.db2.gz FWKCBOPCPUQJRC-PKOBYXMFSA-N 1 1 412.559 2.726 20 0 HFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000792138391 1077719635 /nfs/dbraw/zinc/71/96/35/1077719635.db2.gz QGUIGPPMFHBYPB-SQNIBIBYSA-N 1 1 412.575 2.575 20 0 HFADMO CC[C@H]1c2ccsc2CCN1C(=O)CO[NH+]=C(N)CCNC(=O)OC(C)(C)C ZINC000789652353 1077719969 /nfs/dbraw/zinc/71/99/69/1077719969.db2.gz LZMQWJKDHMOGDP-AWEZNQCLSA-N 1 1 410.540 2.997 20 0 HFADMO C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792142125 1077721022 /nfs/dbraw/zinc/72/10/22/1077721022.db2.gz HBDDIEZLJVOBJU-RLLQIKCJSA-N 1 1 416.566 2.921 20 0 HFADMO CN(Cc1ccc(Cl)s1)C(=O)CO[NH+]=C(N)CCNC(=O)OC(C)(C)C ZINC000789654530 1077721702 /nfs/dbraw/zinc/72/17/02/1077721702.db2.gz UUMHVHVKJNJOKX-UHFFFAOYSA-N 1 1 404.920 2.773 20 0 HFADMO CCOc1ccc(OC)cc1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792146107 1077722740 /nfs/dbraw/zinc/72/27/40/1077722740.db2.gz KCCSZBYRAUGJAH-UHFFFAOYSA-N 1 1 407.511 2.975 20 0 HFADMO COCc1cc(CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)ccc1F ZINC000792148610 1077722897 /nfs/dbraw/zinc/72/28/97/1077722897.db2.gz HKYZHTSBTICWEY-UHFFFAOYSA-N 1 1 409.502 2.531 20 0 HFADMO COc1nc(C)c(Br)cc1C(=O)OCCC[NH+]1CCN(C(C)C)CC1 ZINC000792150341 1077723849 /nfs/dbraw/zinc/72/38/49/1077723849.db2.gz GZJRPHAZBZUONY-UHFFFAOYSA-N 1 1 414.344 2.734 20 0 HFADMO Cn1nc(CC(C)(C)C)cc1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792151258 1077724161 /nfs/dbraw/zinc/72/41/61/1077724161.db2.gz FQBPJSQAKKRAIQ-UHFFFAOYSA-N 1 1 407.559 2.890 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NC2(c3ccccc3)CCOCC2)CC1 ZINC000792164560 1077731803 /nfs/dbraw/zinc/73/18/03/1077731803.db2.gz NSEGVPZXRFEJRI-UHFFFAOYSA-N 1 1 417.550 2.751 20 0 HFADMO O=C(N[C@H]1Cc2ccc(Cl)cc2C1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000789669151 1077734569 /nfs/dbraw/zinc/73/45/69/1077734569.db2.gz STWJOBMZYQBRCK-SFTDATJTSA-N 1 1 411.933 2.704 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)CC1 ZINC000792178706 1077736396 /nfs/dbraw/zinc/73/63/96/1077736396.db2.gz NXVKFGKOILVYPD-RHSMWYFYSA-N 1 1 409.477 2.880 20 0 HFADMO C[C@H](CNC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000792195577 1077740706 /nfs/dbraw/zinc/74/07/06/1077740706.db2.gz VRVUSQPQAOZJTH-SJLPKXTDSA-N 1 1 422.595 2.816 20 0 HFADMO C[C@H](CNC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000792195577 1077740711 /nfs/dbraw/zinc/74/07/11/1077740711.db2.gz VRVUSQPQAOZJTH-SJLPKXTDSA-N 1 1 422.595 2.816 20 0 HFADMO C[C@@H](CNC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000792195576 1077740817 /nfs/dbraw/zinc/74/08/17/1077740817.db2.gz VRVUSQPQAOZJTH-FUHWJXTLSA-N 1 1 422.595 2.816 20 0 HFADMO C[C@@H](CNC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000792195576 1077740825 /nfs/dbraw/zinc/74/08/25/1077740825.db2.gz VRVUSQPQAOZJTH-FUHWJXTLSA-N 1 1 422.595 2.816 20 0 HFADMO C[C@H](CNC(=O)C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1)[N@@H+]1CCc2sccc2C1 ZINC000789729155 1077741256 /nfs/dbraw/zinc/74/12/56/1077741256.db2.gz XSZDRNQTLKEVBU-FZKQIMNGSA-N 1 1 417.962 2.548 20 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ZINC000792235637 1077757587 /nfs/dbraw/zinc/75/75/87/1077757587.db2.gz BYODAVJOIZWMKX-UHFFFAOYSA-N 1 1 413.316 2.725 20 0 HFADMO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc3sccc3C1)CCC2 ZINC000789724849 1077760692 /nfs/dbraw/zinc/76/06/92/1077760692.db2.gz RZNKOMINWXQDLM-BLLLJJGKSA-N 1 1 418.588 2.570 20 0 HFADMO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NC[C@H](C)[N@H+]1CCc3sccc3C1)CCC2 ZINC000789724849 1077760696 /nfs/dbraw/zinc/76/06/96/1077760696.db2.gz RZNKOMINWXQDLM-BLLLJJGKSA-N 1 1 418.588 2.570 20 0 HFADMO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000789725632 1077761439 /nfs/dbraw/zinc/76/14/39/1077761439.db2.gz UEBKUZOWCCGOEC-SJORKVTESA-N 1 1 415.559 2.503 20 0 HFADMO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000789725632 1077761443 /nfs/dbraw/zinc/76/14/43/1077761443.db2.gz UEBKUZOWCCGOEC-SJORKVTESA-N 1 1 415.559 2.503 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@@H]3CC[N@@H+](C)[C@H]3c3ccccc3)C2)c1 ZINC000792284766 1077774666 /nfs/dbraw/zinc/77/46/66/1077774666.db2.gz JESMGHCHFPSLNP-COPCDDAFSA-N 1 1 409.486 2.758 20 0 HFADMO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1nc(Br)ccc1F ZINC000792285680 1077775470 /nfs/dbraw/zinc/77/54/70/1077775470.db2.gz OECXVFGNIROMHK-GDBMZVCRSA-N 1 1 422.298 2.596 20 0 HFADMO Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792285703 1077775489 /nfs/dbraw/zinc/77/54/89/1077775489.db2.gz OOYCLQAOXXQHEN-QGZVFWFLSA-N 1 1 405.543 2.633 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@@H]3CCC[N@@H+](CC(C)C)C3)C2)c1 ZINC000792265422 1077787022 /nfs/dbraw/zinc/78/70/22/1077787022.db2.gz XGQHWNKZVSPASO-HRAATJIYSA-N 1 1 403.523 2.681 20 0 HFADMO C[C@@H](C[C@@H](O)c1cccs1)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792272241 1077788511 /nfs/dbraw/zinc/78/85/11/1077788511.db2.gz CDAJTNBFTYVZQG-JKSUJKDBSA-N 1 1 411.568 2.619 20 0 HFADMO Cc1cc2[nH]ncc2cc1NC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000792277342 1077792091 /nfs/dbraw/zinc/79/20/91/1077792091.db2.gz KWXKZDQYXVWLSV-UHFFFAOYSA-N 1 1 420.517 2.979 20 0 HFADMO COc1ccccc1-n1ncc(C(=O)OCCC[NH+]2CCN(C(C)C)CC2)c1C ZINC000792295176 1077793763 /nfs/dbraw/zinc/79/37/63/1077793763.db2.gz QKPSURNBHLAABQ-UHFFFAOYSA-N 1 1 400.523 2.762 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[N@H+](CCOC(=O)/C=C\c2ccc3c(c2)OCO3)CC1 ZINC000789792284 1077798032 /nfs/dbraw/zinc/79/80/32/1077798032.db2.gz PDFXYJURQOSPOO-VURMDHGXSA-N 1 1 418.490 2.915 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[N@@H+](CCOC(=O)/C=C\c2ccc3c(c2)OCO3)CC1 ZINC000789792284 1077798037 /nfs/dbraw/zinc/79/80/37/1077798037.db2.gz PDFXYJURQOSPOO-VURMDHGXSA-N 1 1 418.490 2.915 20 0 HFADMO COc1cc(OC)cc(C(=O)OCC[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000789791661 1077798895 /nfs/dbraw/zinc/79/88/95/1077798895.db2.gz IPOTVLVLUFWFBJ-UHFFFAOYSA-N 1 1 408.495 2.803 20 0 HFADMO COc1cc(OC)cc(C(=O)OCC[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000789791661 1077798897 /nfs/dbraw/zinc/79/88/97/1077798897.db2.gz IPOTVLVLUFWFBJ-UHFFFAOYSA-N 1 1 408.495 2.803 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCCCNc2cccc(F)c2)CC1 ZINC000792322596 1077806804 /nfs/dbraw/zinc/80/68/04/1077806804.db2.gz XDDRVIDAXMSUFF-UHFFFAOYSA-N 1 1 408.518 2.687 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCc2nc(-c3cccs3)c[nH]2)CC1 ZINC000792326093 1077807598 /nfs/dbraw/zinc/80/75/98/1077807598.db2.gz MFSBCWMSJCFIAU-UHFFFAOYSA-N 1 1 419.551 2.697 20 0 HFADMO CCn1cc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3ccccc3n2)cn1 ZINC000792375004 1077820842 /nfs/dbraw/zinc/82/08/42/1077820842.db2.gz DKLBSSJKCODDFJ-NRFANRHFSA-N 1 1 403.486 2.647 20 0 HFADMO CCn1cc([C@@H](O)C[N@@H+](Cc2ccccc2)[C@H]2CCN(CC(F)(F)F)C2=O)cn1 ZINC000792376848 1077826733 /nfs/dbraw/zinc/82/67/33/1077826733.db2.gz ONRUBEMNUWWZEC-ROUUACIJSA-N 1 1 410.440 2.602 20 0 HFADMO COC(=O)c1cc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc(C(=O)OC)c1 ZINC000792386254 1077830108 /nfs/dbraw/zinc/83/01/08/1077830108.db2.gz TZHZHXKWNBOTOD-UHFFFAOYSA-N 1 1 402.422 2.837 20 0 HFADMO O=C(C[NH+]1CCC(Oc2ccc(F)nc2)CC1)NCCOc1cccc(Cl)c1 ZINC000792389484 1077831721 /nfs/dbraw/zinc/83/17/21/1077831721.db2.gz PPRUKGGGFVJRAR-UHFFFAOYSA-N 1 1 407.873 2.913 20 0 HFADMO Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000772795344 1077832523 /nfs/dbraw/zinc/83/25/23/1077832523.db2.gz CEWRQKYXAKCEBR-MRXNPFEDSA-N 1 1 405.296 2.656 20 0 HFADMO Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)c2nc3cccnc3s2)CC1 ZINC000792395466 1077833135 /nfs/dbraw/zinc/83/31/35/1077833135.db2.gz VDCUBKRTVODEGB-UHFFFAOYSA-N 1 1 410.499 2.501 20 0 HFADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)c2nc3cccnc3s2)CC1 ZINC000792382112 1077845779 /nfs/dbraw/zinc/84/57/79/1077845779.db2.gz RSKJVRGPVNFUFL-HNNXBMFYSA-N 1 1 410.499 2.754 20 0 HFADMO COC(=O)c1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)c(N(C)C)c1 ZINC000792415622 1077848873 /nfs/dbraw/zinc/84/88/73/1077848873.db2.gz QJGDQDSGNQBKAU-UHFFFAOYSA-N 1 1 408.462 2.750 20 0 HFADMO CC(C)[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](O)c1ccccc1 ZINC000792491251 1077864549 /nfs/dbraw/zinc/86/45/49/1077864549.db2.gz JNWHBAOBINXKEO-SFTDATJTSA-N 1 1 419.566 2.804 20 0 HFADMO CS(=O)(=O)Nc1ccc(/C=C/C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000792495065 1077866575 /nfs/dbraw/zinc/86/65/75/1077866575.db2.gz JMOLIHQNKUHRAS-JTPHSUOKSA-N 1 1 413.543 2.710 20 0 HFADMO COC(=O)CCc1cccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792476937 1077874634 /nfs/dbraw/zinc/87/46/34/1077874634.db2.gz VQZCZKWNBRYLLN-UHFFFAOYSA-N 1 1 419.522 2.674 20 0 HFADMO COCCNc1ccccc1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792479727 1077875879 /nfs/dbraw/zinc/87/58/79/1077875879.db2.gz ZFOHXUFUEPVAPH-UHFFFAOYSA-N 1 1 406.527 2.626 20 0 HFADMO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)c2ccc3cncn3c2)CC1 ZINC000792563096 1077912146 /nfs/dbraw/zinc/91/21/46/1077912146.db2.gz CAKXRFWCJXIONI-UHFFFAOYSA-N 1 1 406.486 2.580 20 0 HFADMO Cc1c[nH+]ccc1OC1CCN(C(=O)CCOC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000772807197 1077923597 /nfs/dbraw/zinc/92/35/97/1077923597.db2.gz JFYYRXGFZYLVOJ-UHFFFAOYSA-N 1 1 419.522 2.786 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)N2CCOCC2)C1 ZINC001170273212 1077925857 /nfs/dbraw/zinc/92/58/57/1077925857.db2.gz KKUYHQRYDWIQBG-VELGLUOQSA-N 1 1 406.954 2.857 20 0 HFADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000790049428 1077929545 /nfs/dbraw/zinc/92/95/45/1077929545.db2.gz GIGXZOJELFBBQI-UXHICEINSA-N 1 1 414.594 2.572 20 0 HFADMO O=C(CC[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1)N[C@H]1CCCc2ccccc21 ZINC001170280114 1077935775 /nfs/dbraw/zinc/93/57/75/1077935775.db2.gz AICAIZMGBUQDJA-LMMKCTJWSA-N 1 1 423.479 2.913 20 0 HFADMO O=C(CC[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1)N[C@@H]1CCCc2ccccc21 ZINC001170280116 1077935829 /nfs/dbraw/zinc/93/58/29/1077935829.db2.gz AICAIZMGBUQDJA-ZIFCJYIRSA-N 1 1 423.479 2.913 20 0 HFADMO O=C(N1C[C@@H]2CC[N@@H+](CCCN3CCN(c4ccccc4)CC3)C[C@H]2C1)C(F)(F)F ZINC001170280613 1077936600 /nfs/dbraw/zinc/93/66/00/1077936600.db2.gz MKVGLGFQHGXGJE-OALUTQOASA-N 1 1 424.511 2.541 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@@H+]1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001170283398 1077937258 /nfs/dbraw/zinc/93/72/58/1077937258.db2.gz KUMKDSAUTWIQRI-DYESRHJHSA-N 1 1 402.926 2.669 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@H+]1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001170283398 1077937261 /nfs/dbraw/zinc/93/72/61/1077937261.db2.gz KUMKDSAUTWIQRI-DYESRHJHSA-N 1 1 402.926 2.669 20 0 HFADMO Cc1cc(NC(=O)C[N@H+](CCC(N)=O)[C@@H]2CCOc3ccccc32)n(C(C)(C)C)n1 ZINC001170290646 1077938698 /nfs/dbraw/zinc/93/86/98/1077938698.db2.gz OMVQQIWMAFAILK-QGZVFWFLSA-N 1 1 413.522 2.586 20 0 HFADMO Cc1cc(NC(=O)C[N@@H+](CCC(N)=O)[C@@H]2CCOc3ccccc32)n(C(C)(C)C)n1 ZINC001170290646 1077938701 /nfs/dbraw/zinc/93/87/01/1077938701.db2.gz OMVQQIWMAFAILK-QGZVFWFLSA-N 1 1 413.522 2.586 20 0 HFADMO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC001170315996 1077941552 /nfs/dbraw/zinc/94/15/52/1077941552.db2.gz SMTSTHFXFQMRKM-UHFFFAOYSA-N 1 1 417.518 2.976 20 0 HFADMO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001170332892 1077945682 /nfs/dbraw/zinc/94/56/82/1077945682.db2.gz ITLIIXMROQPTAD-PMPSAXMXSA-N 1 1 419.574 2.550 20 0 HFADMO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001170332892 1077945684 /nfs/dbraw/zinc/94/56/84/1077945684.db2.gz ITLIIXMROQPTAD-PMPSAXMXSA-N 1 1 419.574 2.550 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000790121003 1077957913 /nfs/dbraw/zinc/95/79/13/1077957913.db2.gz BEOVVSJZTHEGDQ-LJQANCHMSA-N 1 1 419.566 2.692 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000790121003 1077957914 /nfs/dbraw/zinc/95/79/14/1077957914.db2.gz BEOVVSJZTHEGDQ-LJQANCHMSA-N 1 1 419.566 2.692 20 0 HFADMO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000790156465 1077960885 /nfs/dbraw/zinc/96/08/85/1077960885.db2.gz ALEFNUMULAQJJR-KNQAVFIVSA-N 1 1 413.566 2.880 20 0 HFADMO COc1ccc(/C=C/C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)cc1O ZINC000790161904 1077962986 /nfs/dbraw/zinc/96/29/86/1077962986.db2.gz PRXONCHFHFNFLF-SOFGYWHQSA-N 1 1 409.446 2.713 20 0 HFADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)[C@H](O)c3ccccc3Cl)n2)c1C ZINC000790162479 1077963432 /nfs/dbraw/zinc/96/34/32/1077963432.db2.gz RISFRTIHFUWIGX-MRXNPFEDSA-N 1 1 401.854 2.672 20 0 HFADMO COc1cc(NC(=O)C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c(OC)cc1Cl ZINC001170411459 1077966595 /nfs/dbraw/zinc/96/65/95/1077966595.db2.gz MHHSPCADMNVWQM-CYBMUJFWSA-N 1 1 411.930 2.909 20 0 HFADMO COc1cc(NC(=O)C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c(OC)cc1Cl ZINC001170411459 1077966597 /nfs/dbraw/zinc/96/65/97/1077966597.db2.gz MHHSPCADMNVWQM-CYBMUJFWSA-N 1 1 411.930 2.909 20 0 HFADMO COC(=O)CCN1CCC[C@H]([N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)C1=O ZINC001170412686 1077967111 /nfs/dbraw/zinc/96/71/11/1077967111.db2.gz SUTPGOHSCIBZMJ-WBVHZDCISA-N 1 1 409.324 2.793 20 0 HFADMO COC(=O)CCN1CCC[C@H]([N@H+]2CC[C@@H](c3cccc(Br)c3)C2)C1=O ZINC001170412686 1077967115 /nfs/dbraw/zinc/96/71/15/1077967115.db2.gz SUTPGOHSCIBZMJ-WBVHZDCISA-N 1 1 409.324 2.793 20 0 HFADMO C[C@H]1CSCC[N@H+](CN2C(=O)N[C@@](C)(c3ccc(OC(F)(F)F)cc3)C2=O)C1 ZINC000792725961 1077978786 /nfs/dbraw/zinc/97/87/86/1077978786.db2.gz MYHPDBORFYKIQM-PXAZEXFGSA-N 1 1 417.453 2.995 20 0 HFADMO C[C@H]1CSCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(OC(F)(F)F)cc3)C2=O)C1 ZINC000792725961 1077978788 /nfs/dbraw/zinc/97/87/88/1077978788.db2.gz MYHPDBORFYKIQM-PXAZEXFGSA-N 1 1 417.453 2.995 20 0 HFADMO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1[C@H]1CCN(C2CCOCC2)C1=O ZINC000790319415 1077996581 /nfs/dbraw/zinc/99/65/81/1077996581.db2.gz NZWABAKZDBMWFL-TZYHBYERSA-N 1 1 414.594 2.702 20 0 HFADMO C[N@@H+]([C@H]1CCN(C2CCOCC2)C1=O)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000790320473 1077996636 /nfs/dbraw/zinc/99/66/36/1077996636.db2.gz RSPDXKJGWFGNCD-SWDXFRIISA-N 1 1 407.555 2.629 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000792821115 1078005357 /nfs/dbraw/zinc/00/53/57/1078005357.db2.gz YNWZQOQEXWKFKB-UHFFFAOYSA-N 1 1 400.870 2.587 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2ccc(NC(=O)N(C)C)cc2)cn1 ZINC000792829997 1078007127 /nfs/dbraw/zinc/00/71/27/1078007127.db2.gz YPFRPHIFTBRUTG-UHFFFAOYSA-N 1 1 407.478 2.669 20 0 HFADMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1nc(Br)ccc1Br ZINC000790344941 1078008046 /nfs/dbraw/zinc/00/80/46/1078008046.db2.gz YHZYEDVHVWWXJX-UWVGGRQHSA-N 1 1 403.118 2.963 20 0 HFADMO CC(C)(C)OC(=O)NC[C@H]1CN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000792880773 1078016641 /nfs/dbraw/zinc/01/66/41/1078016641.db2.gz VAXSYZZMXJHAKA-SFTDATJTSA-N 1 1 419.566 2.503 20 0 HFADMO CCCCn1c2nc(C[N@@H+]3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)n(C)c2c(=O)[nH]c1=O ZINC000792898540 1078019012 /nfs/dbraw/zinc/01/90/12/1078019012.db2.gz CSWSGQAIMUHRMS-APPDUMDISA-N 1 1 414.337 2.651 20 0 HFADMO CCCCn1c2nc(C[N@H+]3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)n(C)c2c(=O)[nH]c1=O ZINC000792898540 1078019016 /nfs/dbraw/zinc/01/90/16/1078019016.db2.gz CSWSGQAIMUHRMS-APPDUMDISA-N 1 1 414.337 2.651 20 0 HFADMO COC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1 ZINC000792902112 1078019773 /nfs/dbraw/zinc/01/97/73/1078019773.db2.gz LILVAFUJHOJJCI-WMLDXEAASA-N 1 1 400.306 2.997 20 0 HFADMO COC(=O)Nc1ccc(CNC(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1 ZINC000792902112 1078019777 /nfs/dbraw/zinc/01/97/77/1078019777.db2.gz LILVAFUJHOJJCI-WMLDXEAASA-N 1 1 400.306 2.997 20 0 HFADMO C[NH+]1CCN(c2ccc(NC(=O)c3cnc(OCC4CC4)cn3)cc2Cl)CC1 ZINC000790409624 1078020266 /nfs/dbraw/zinc/02/02/66/1078020266.db2.gz OCFHHRJHXOIHIL-UHFFFAOYSA-N 1 1 401.898 2.923 20 0 HFADMO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cn1 ZINC000790424180 1078022848 /nfs/dbraw/zinc/02/28/48/1078022848.db2.gz KJHAWWPAXSLOKO-ZPMCFJSWSA-N 1 1 411.550 2.631 20 0 HFADMO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)nc1Br ZINC000792945649 1078023069 /nfs/dbraw/zinc/02/30/69/1078023069.db2.gz GHRNQBAJDVZNCM-CYBMUJFWSA-N 1 1 421.295 2.637 20 0 HFADMO CCNC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000792923272 1078026932 /nfs/dbraw/zinc/02/69/32/1078026932.db2.gz BSHJRPAGYKTIKF-WFXMLNOXSA-N 1 1 416.566 2.619 20 0 HFADMO O=C(NC[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1)OCc1ccccc1 ZINC000792951277 1078033466 /nfs/dbraw/zinc/03/34/66/1078033466.db2.gz QTNZMZIYOWCAOF-RTWAWAEBSA-N 1 1 414.550 2.819 20 0 HFADMO COC(=O)Nc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000747094681 1078035682 /nfs/dbraw/zinc/03/56/82/1078035682.db2.gz FCSBVPDTBVZQQO-YLJYHZDGSA-N 1 1 412.490 2.869 20 0 HFADMO O=C(Nc1ccc(N2CCOC2=O)cc1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000747094547 1078036292 /nfs/dbraw/zinc/03/62/92/1078036292.db2.gz DCPJXADYMWSTAB-RXVVDRJESA-N 1 1 424.501 2.648 20 0 HFADMO COCC[N@@H+](CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O)[C@@H]1CC[C@@H](C)C1 ZINC000790480154 1078040769 /nfs/dbraw/zinc/04/07/69/1078040769.db2.gz QJZPCWIBKRABTJ-ZTBAGEHQSA-N 1 1 417.550 2.841 20 0 HFADMO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@H+](CCOC)[C@H]2CC[C@@H](C)C2)C1=O ZINC000790480834 1078040889 /nfs/dbraw/zinc/04/08/89/1078040889.db2.gz WAVWACPUMGNWLJ-TVTNDZMWSA-N 1 1 403.523 2.947 20 0 HFADMO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@@H+](CCOC)[C@H]2CC[C@@H](C)C2)C1=O ZINC000790480834 1078040894 /nfs/dbraw/zinc/04/08/94/1078040894.db2.gz WAVWACPUMGNWLJ-TVTNDZMWSA-N 1 1 403.523 2.947 20 0 HFADMO O=C(Nc1cccc(F)n1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000792987968 1078041990 /nfs/dbraw/zinc/04/19/90/1078041990.db2.gz YQJFOZMGSWCWTC-AWEZNQCLSA-N 1 1 410.371 2.569 20 0 HFADMO O=C(Nc1cccc(F)n1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000792987968 1078041995 /nfs/dbraw/zinc/04/19/95/1078041995.db2.gz YQJFOZMGSWCWTC-AWEZNQCLSA-N 1 1 410.371 2.569 20 0 HFADMO CCCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)cc1 ZINC000790485181 1078042044 /nfs/dbraw/zinc/04/20/44/1078042044.db2.gz VPGFOHACHVZXJW-FQEVSTJZSA-N 1 1 420.531 2.843 20 0 HFADMO O=C1c2ccc(Br)cc2N(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000772825609 1078042530 /nfs/dbraw/zinc/04/25/30/1078042530.db2.gz CMZTYYFUBRBWBT-CXAGYDPISA-N 1 1 418.335 2.885 20 0 HFADMO CNC(=O)OC[C@H]1CCCCN1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000806244069 1079519992 /nfs/dbraw/zinc/51/99/92/1079519992.db2.gz WOGMIVZIFCJBBL-QGZVFWFLSA-N 1 1 406.552 2.978 20 0 HFADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000806254221 1079521935 /nfs/dbraw/zinc/52/19/35/1079521935.db2.gz QYRUCZSTROFSBX-SQNIBIBYSA-N 1 1 407.580 2.543 20 0 HFADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000806254051 1079522025 /nfs/dbraw/zinc/52/20/25/1079522025.db2.gz YLSTUEXFDXOKIQ-RTWAWAEBSA-N 1 1 401.551 2.651 20 0 HFADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000806254064 1079522067 /nfs/dbraw/zinc/52/20/67/1079522067.db2.gz QKBQOKIKVURGES-OAQYLSRUSA-N 1 1 414.594 2.839 20 0 HFADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000806254935 1079523363 /nfs/dbraw/zinc/52/33/63/1079523363.db2.gz XLMRPRIHAZBRGW-NJDAHSKKSA-N 1 1 419.541 2.621 20 0 HFADMO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N[C@@H]1C[N@@H+](Cc3ccccc3)C[C@H]1C)CCC2 ZINC000806303675 1079556316 /nfs/dbraw/zinc/55/63/16/1079556316.db2.gz QGLFVRVJUSYJLV-DUXKGJEZSA-N 1 1 423.561 2.594 20 0 HFADMO CC[N@@H+](CCCNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)C1CCCCC1 ZINC001130586338 1079560254 /nfs/dbraw/zinc/56/02/54/1079560254.db2.gz SLWYEGGFXUDGRK-UHFFFAOYSA-N 1 1 407.580 2.783 20 0 HFADMO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@H]1C ZINC001130586732 1079561109 /nfs/dbraw/zinc/56/11/09/1079561109.db2.gz STBOERPVYBUBEP-KZNAEPCWSA-N 1 1 407.580 2.723 20 0 HFADMO O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(=O)N1CCC(F)(F)CC1 ZINC000806312524 1079566490 /nfs/dbraw/zinc/56/64/90/1079566490.db2.gz VTCRVDSXQJOKDE-HNNXBMFYSA-N 1 1 419.394 2.654 20 0 HFADMO O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(=O)N1CCC(F)(F)CC1 ZINC000806312524 1079566493 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KGBSYGWSLBTIAT-FQEVSTJZSA-N 1 1 405.857 2.812 20 0 HFADMO COC(=O)[C@]1(NC(=O)c2cc(Cl)ncc2F)CCC[N@@H+](Cc2ccccc2)C1 ZINC001130660616 1079808094 /nfs/dbraw/zinc/80/80/94/1079808094.db2.gz KGBSYGWSLBTIAT-FQEVSTJZSA-N 1 1 405.857 2.812 20 0 HFADMO COc1ccc2cc(NC(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)ccc2c1 ZINC000806618405 1079857575 /nfs/dbraw/zinc/85/75/75/1079857575.db2.gz MJPYZOGMPZFOTN-UHFFFAOYSA-N 1 1 420.517 2.972 20 0 HFADMO CC(C)(O)c1ccc(CNC(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000806727138 1079950730 /nfs/dbraw/zinc/95/07/30/1079950730.db2.gz AZDXVZICBDPDGS-RUZDIDTESA-N 1 1 423.557 2.559 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)C1CC1 ZINC000806730252 1079955225 /nfs/dbraw/zinc/95/52/25/1079955225.db2.gz KRJXTDOMHWFDPA-JOCHJYFZSA-N 1 1 423.557 2.557 20 0 HFADMO COc1cccc(OCCC(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001130732708 1079970217 /nfs/dbraw/zinc/97/02/17/1079970217.db2.gz BBLPISLTHZSYNQ-PKTZIBPZSA-N 1 1 410.514 2.966 20 0 HFADMO O=C(c1cnn(CCC(F)(F)F)c1)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001130733013 1079971008 /nfs/dbraw/zinc/97/10/08/1079971008.db2.gz HNNCPKOYURSDHH-RTBURBONSA-N 1 1 422.451 2.951 20 0 HFADMO C[C@]1(CNC(=O)C(=O)NCC2CCC(F)(F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000806770187 1079990676 /nfs/dbraw/zinc/99/06/76/1079990676.db2.gz LOTVPTCZQHTDDH-OAQYLSRUSA-N 1 1 407.505 2.957 20 0 HFADMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000806789105 1080010569 /nfs/dbraw/zinc/01/05/69/1080010569.db2.gz MMSQUPIKXMHGIX-AABGKKOBSA-N 1 1 417.550 2.607 20 0 HFADMO CC(C)OC(=O)N1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000806796321 1080015622 /nfs/dbraw/zinc/01/56/22/1080015622.db2.gz ZCILDDYLXSCWPQ-YLJYHZDGSA-N 1 1 402.539 2.958 20 0 HFADMO C[N@@H+]1CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)C[C@H]1Cc1ccccc1 ZINC000806853100 1080058679 /nfs/dbraw/zinc/05/86/79/1080058679.db2.gz QIVCGHODBXWDRC-WOJBJXKFSA-N 1 1 416.566 2.858 20 0 HFADMO C[N@H+]1CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)C[C@H]1Cc1ccccc1 ZINC000806853100 1080058687 /nfs/dbraw/zinc/05/86/87/1080058687.db2.gz QIVCGHODBXWDRC-WOJBJXKFSA-N 1 1 416.566 2.858 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)[C@@H](C)C1 ZINC000806888652 1080085204 /nfs/dbraw/zinc/08/52/04/1080085204.db2.gz KLFZOOGHEJKRTF-IHRRRGAJSA-N 1 1 407.902 2.548 20 0 HFADMO CCOC(=O)C1=C(Nc2nc(Cl)c(F)cc2C(=O)Nc2cccnc2)CC[NH2+]C1 ZINC001170513810 1080087979 /nfs/dbraw/zinc/08/79/79/1080087979.db2.gz BCNCNWHLNHGZDV-UHFFFAOYSA-N 1 1 419.844 2.744 20 0 HFADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C(C)(C)O)c2)C1 ZINC000806897394 1080104392 /nfs/dbraw/zinc/10/43/92/1080104392.db2.gz JNQXBXRLTYJBNS-MSOLQXFVSA-N 1 1 401.551 2.966 20 0 HFADMO CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000806977149 1080186905 /nfs/dbraw/zinc/18/69/05/1080186905.db2.gz XUCPYUYQGLEFGA-UFYCRDLUSA-N 1 1 424.586 2.720 20 0 HFADMO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(C)(C)O)c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000807016290 1080212809 /nfs/dbraw/zinc/21/28/09/1080212809.db2.gz RLBUHKVBRITVBH-MSOLQXFVSA-N 1 1 409.530 2.974 20 0 HFADMO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(C)(C)O)c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000807016290 1080212822 /nfs/dbraw/zinc/21/28/22/1080212822.db2.gz RLBUHKVBRITVBH-MSOLQXFVSA-N 1 1 409.530 2.974 20 0 HFADMO C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000807081338 1080229872 /nfs/dbraw/zinc/22/98/72/1080229872.db2.gz UQXOYWNTLMCZMU-MJGOQNOKSA-N 1 1 404.555 2.858 20 0 HFADMO C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000807081338 1080229884 /nfs/dbraw/zinc/22/98/84/1080229884.db2.gz UQXOYWNTLMCZMU-MJGOQNOKSA-N 1 1 404.555 2.858 20 0 HFADMO CSCC[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000807050775 1080234095 /nfs/dbraw/zinc/23/40/95/1080234095.db2.gz BBOAZUHSXQAOIE-IJXRJRJASA-N 1 1 403.592 2.661 20 0 HFADMO CC[C@@H](NC(=O)c1ccc(C(OC)OC)o1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000807070185 1080253232 /nfs/dbraw/zinc/25/32/32/1080253232.db2.gz RMOURFFKAZLJSD-YLJYHZDGSA-N 1 1 402.491 2.980 20 0 HFADMO CC[C@@H](NC(=O)c1ccc(C(OC)OC)o1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000807070185 1080253240 /nfs/dbraw/zinc/25/32/40/1080253240.db2.gz RMOURFFKAZLJSD-YLJYHZDGSA-N 1 1 402.491 2.980 20 0 HFADMO C[C@@H](C(=O)N1C[C@@H]([NH+](C)C)CCc2ccccc21)S(=O)(=O)c1ccc(F)cc1 ZINC001130839747 1080265417 /nfs/dbraw/zinc/26/54/17/1080265417.db2.gz DUHZMFMJQORYKC-YJBOKZPZSA-N 1 1 404.507 2.898 20 0 HFADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)C1 ZINC000807089568 1080267647 /nfs/dbraw/zinc/26/76/47/1080267647.db2.gz HSYVEITZNQVFFE-SIKLNZKXSA-N 1 1 415.578 2.755 20 0 HFADMO C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000807150958 1080308400 /nfs/dbraw/zinc/30/84/00/1080308400.db2.gz VLHMNBLNNQAUNZ-NXHRZFHOSA-N 1 1 411.468 2.957 20 0 HFADMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1nc(Br)sc1C1CC1 ZINC000807166176 1080322965 /nfs/dbraw/zinc/32/29/65/1080322965.db2.gz RXPIIKZCWDTQEG-LBPRGKRZSA-N 1 1 402.358 2.750 20 0 HFADMO CC[N@@H+](CCC1CCN(C(=O)[C@H]2CCCN2C(=O)C(F)(F)F)CC1)CC1CC1 ZINC000807188534 1080337199 /nfs/dbraw/zinc/33/71/99/1080337199.db2.gz VWWQTGXMUCFZLY-QGZVFWFLSA-N 1 1 403.489 2.900 20 0 HFADMO CS[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000807200027 1080348588 /nfs/dbraw/zinc/34/85/88/1080348588.db2.gz CEJRAVBDIBNSSR-JQVVWYNYSA-N 1 1 403.592 2.805 20 0 HFADMO CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)C1 ZINC000747377803 1080360126 /nfs/dbraw/zinc/36/01/26/1080360126.db2.gz SUQDNDVBRXPQJC-MRXNPFEDSA-N 1 1 414.554 2.583 20 0 HFADMO CC/C(=C/C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(OC)cc1 ZINC000747380018 1080384058 /nfs/dbraw/zinc/38/40/58/1080384058.db2.gz ONOIRSZROHDYRX-HNENSFHCSA-N 1 1 409.534 2.607 20 0 HFADMO CC/C(=C\C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(OC)cc1 ZINC000747380019 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423.561 2.734 20 0 HFADMO CCNC(=O)c1ccc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164714696 720141928 /nfs/dbraw/zinc/14/19/28/720141928.db2.gz YAAHTCAOCXGXRC-OAQYLSRUSA-N 1 1 423.561 2.734 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)COc1ccc(Cl)nn1)C2 ZINC001164819014 720168929 /nfs/dbraw/zinc/16/89/29/720168929.db2.gz VFLCXTVLVARAOL-QAPCUYQASA-N 1 1 416.900 2.782 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)C2 ZINC001164815461 720202459 /nfs/dbraw/zinc/20/24/59/720202459.db2.gz ZPWFJMODFSQJJP-SJLPKXTDSA-N 1 1 401.885 2.703 20 0 HFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN([C@@H](F)Oc1ccc(Cl)nc1)CCC2 ZINC001164811977 720224498 /nfs/dbraw/zinc/22/44/98/720224498.db2.gz BQIQHNMMAXHGDP-LJQANCHMSA-N 1 1 409.893 2.670 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc4ccc(F)cc43)C2)C1 ZINC001164717216 720229509 /nfs/dbraw/zinc/22/95/09/720229509.db2.gz GPYXPUNIUDPISP-NRFANRHFSA-N 1 1 420.916 2.692 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc4ccc(F)cc43)C2)C1 ZINC001164717216 720229521 /nfs/dbraw/zinc/22/95/21/720229521.db2.gz GPYXPUNIUDPISP-NRFANRHFSA-N 1 1 420.916 2.692 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(F)cc4ccc(Cl)nc43)C2)C1 ZINC001164719711 720251877 /nfs/dbraw/zinc/25/18/77/720251877.db2.gz OCKHMWVZTXPTJZ-NRFANRHFSA-N 1 1 420.916 2.692 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(F)cc4ccc(Cl)nc43)C2)C1 ZINC001164719711 720251885 /nfs/dbraw/zinc/25/18/85/720251885.db2.gz OCKHMWVZTXPTJZ-NRFANRHFSA-N 1 1 420.916 2.692 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4c(F)cccc34)C2)C1 ZINC001164724626 720307015 /nfs/dbraw/zinc/30/70/15/720307015.db2.gz SFLFRAJIEGJRLB-NRFANRHFSA-N 1 1 420.916 2.692 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4c(F)cccc34)C2)C1 ZINC001164724626 720307018 /nfs/dbraw/zinc/30/70/18/720307018.db2.gz SFLFRAJIEGJRLB-NRFANRHFSA-N 1 1 420.916 2.692 20 0 HFADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCCn3nnc(Cn4ccnc4)c3C2)n1 ZINC001164831532 720397730 /nfs/dbraw/zinc/39/77/30/720397730.db2.gz VWPUMSDEFIJTBD-UHFFFAOYSA-N 1 1 412.929 2.577 20 0 HFADMO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1C(=O)OCC ZINC001164722468 720484259 /nfs/dbraw/zinc/48/42/59/720484259.db2.gz AUGNSJSYWYUDOC-MOPGFXCFSA-N 1 1 424.501 2.683 20 0 HFADMO C[N@@H+](Cc1ccc(N2CC[C@@H]3OCC[C@]3(C(=O)Nc3cccnc3)C2)nc1)C1CC1 ZINC001164727616 720503064 /nfs/dbraw/zinc/50/30/64/720503064.db2.gz NOYXLQAYKTWENL-REWPJTCUSA-N 1 1 407.518 2.695 20 0 HFADMO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1N1CCCC1 ZINC001164836552 720504719 /nfs/dbraw/zinc/50/47/19/720504719.db2.gz NESCFYGSAYGFBB-PCCBWWKXSA-N 1 1 409.582 2.960 20 0 HFADMO CC(C)OC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nn1 ZINC001164840065 720520178 /nfs/dbraw/zinc/52/01/78/720520178.db2.gz WFPHCMCYYNBKIR-WSTZPKSXSA-N 1 1 412.538 2.616 20 0 HFADMO COC(=O)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)ncc1F ZINC001164833748 720525645 /nfs/dbraw/zinc/52/56/45/720525645.db2.gz DQJRANIAQQNKPN-FRQCXROJSA-N 1 1 401.486 2.582 20 0 HFADMO Cc1nc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2[nH]1 ZINC001164841311 720525744 /nfs/dbraw/zinc/52/57/44/720525744.db2.gz YFVSIGMMFYQHDQ-HRCADAONSA-N 1 1 414.945 2.889 20 0 HFADMO Cc1nc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH]1 ZINC001164841311 720525748 /nfs/dbraw/zinc/52/57/48/720525748.db2.gz YFVSIGMMFYQHDQ-HRCADAONSA-N 1 1 414.945 2.889 20 0 HFADMO Cc1nc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH]1 ZINC001164841311 720525752 /nfs/dbraw/zinc/52/57/52/720525752.db2.gz YFVSIGMMFYQHDQ-HRCADAONSA-N 1 1 414.945 2.889 20 0 HFADMO Cc1nc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2[nH]1 ZINC001164841309 720526275 /nfs/dbraw/zinc/52/62/75/720526275.db2.gz YFVSIGMMFYQHDQ-BZUAXINKSA-N 1 1 414.945 2.889 20 0 HFADMO Cc1nc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH]1 ZINC001164841309 720526278 /nfs/dbraw/zinc/52/62/78/720526278.db2.gz YFVSIGMMFYQHDQ-BZUAXINKSA-N 1 1 414.945 2.889 20 0 HFADMO Cc1nc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH]1 ZINC001164841309 720526281 /nfs/dbraw/zinc/52/62/81/720526281.db2.gz YFVSIGMMFYQHDQ-BZUAXINKSA-N 1 1 414.945 2.889 20 0 HFADMO Cc1nc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2[nH]1 ZINC001164841307 720526720 /nfs/dbraw/zinc/52/67/20/720526720.db2.gz YFVSIGMMFYQHDQ-ARFHVFGLSA-N 1 1 414.945 2.889 20 0 HFADMO Cc1nc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH]1 ZINC001164841307 720526725 /nfs/dbraw/zinc/52/67/25/720526725.db2.gz YFVSIGMMFYQHDQ-ARFHVFGLSA-N 1 1 414.945 2.889 20 0 HFADMO Cc1nc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH]1 ZINC001164841307 720526731 /nfs/dbraw/zinc/52/67/31/720526731.db2.gz YFVSIGMMFYQHDQ-ARFHVFGLSA-N 1 1 414.945 2.889 20 0 HFADMO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1C ZINC001164837353 720538110 /nfs/dbraw/zinc/53/81/10/720538110.db2.gz LXMLYASQDYVPIX-QWFCFKBJSA-N 1 1 412.538 2.536 20 0 HFADMO COc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(SC)n1 ZINC001164836657 720543241 /nfs/dbraw/zinc/54/32/41/720543241.db2.gz KNUPHALXGLLXGH-BRWVUGGUSA-N 1 1 402.568 2.781 20 0 HFADMO COc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(SC)n1 ZINC001164836658 720544040 /nfs/dbraw/zinc/54/40/40/720544040.db2.gz KNUPHALXGLLXGH-GVDBMIGSSA-N 1 1 402.568 2.781 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(C(=O)NC4CC4)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836769 720553712 /nfs/dbraw/zinc/55/37/12/720553712.db2.gz KWZTVEHPLNRMJC-HLAWJBBLSA-N 1 1 408.550 2.548 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN([C@@H](F)Oc3cncc(Cl)n3)CC[C@@H]21 ZINC001164837721 720635539 /nfs/dbraw/zinc/63/55/39/720635539.db2.gz IPRUYNIWJNCFGT-PASDCYSWSA-N 1 1 408.909 2.832 20 0 HFADMO CCOC(=O)Cc1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164838213 720644542 /nfs/dbraw/zinc/64/45/42/720644542.db2.gz GIFYUTCIILOZMT-NJDAHSKKSA-N 1 1 411.550 2.762 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(-n3ccnc3)nn1)CC2 ZINC001164841190 720700517 /nfs/dbraw/zinc/70/05/17/720700517.db2.gz ICAMYEROKZIMKZ-HXUWFJFHSA-N 1 1 404.518 2.922 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(S(C)(=O)=O)cn1)CC2 ZINC001164836478 720709041 /nfs/dbraw/zinc/70/90/41/720709041.db2.gz BGSPYJKVTZXYDV-LJQANCHMSA-N 1 1 415.559 2.745 20 0 HFADMO CCOC(=O)c1cc2ccccc2nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737173 720727344 /nfs/dbraw/zinc/72/73/44/720727344.db2.gz AJBREFAWMFIZCD-ZWKOTPCHSA-N 1 1 419.485 2.543 20 0 HFADMO c1ccc(COc2cccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164739893 720739891 /nfs/dbraw/zinc/73/98/91/720739891.db2.gz JIZBLHGHFYNIBJ-WOJBJXKFSA-N 1 1 403.486 2.793 20 0 HFADMO Fc1cc2ncnc(Cl)c2c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164744919 720746319 /nfs/dbraw/zinc/74/63/19/720746319.db2.gz TUVYUCLMGUXSAD-ZIAGYGMSSA-N 1 1 400.845 2.554 20 0 HFADMO CC(C)(C)OC(=O)Nc1ccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164746973 720751927 /nfs/dbraw/zinc/75/19/27/720751927.db2.gz ZKGSCFLIRWKEEU-SJORKVTESA-N 1 1 412.494 2.561 20 0 HFADMO Cc1cc(-c2cccc(F)c2)nnc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164749280 720801634 /nfs/dbraw/zinc/80/16/34/720801634.db2.gz SXTWWNSCOLYWPK-RTBURBONSA-N 1 1 406.465 2.723 20 0 HFADMO Clc1nc(Cl)c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(C2CC2)n1 ZINC001164746634 720803501 /nfs/dbraw/zinc/80/35/01/720803501.db2.gz MCXCKNPPTUQEGB-STQMWFEESA-N 1 1 407.305 2.793 20 0 HFADMO FC(F)(c1ccnc(Cl)n1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744185 720808075 /nfs/dbraw/zinc/80/80/75/720808075.db2.gz HWQYJONMCWHPGC-ARFHVFGLSA-N 1 1 423.899 2.646 20 0 HFADMO FC(F)(c1ccnc(Cl)n1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744187 720808102 /nfs/dbraw/zinc/80/81/02/720808102.db2.gz HWQYJONMCWHPGC-BZUAXINKSA-N 1 1 423.899 2.646 20 0 HFADMO Cc1ccc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164741424 720819154 /nfs/dbraw/zinc/81/91/54/720819154.db2.gz NVPJCHBXBYKRRT-CNNODRBYSA-N 1 1 403.534 2.909 20 0 HFADMO Clc1nc2cnccc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164739852 720821751 /nfs/dbraw/zinc/82/17/51/720821751.db2.gz JBZIHSGSQYZXGL-TXPKVOOTSA-N 1 1 424.940 2.649 20 0 HFADMO COc1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164738365 720825042 /nfs/dbraw/zinc/82/50/42/720825042.db2.gz FBJGZRUTBADZAD-XYJFISCASA-N 1 1 402.930 2.715 20 0 HFADMO Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2ccccc12 ZINC001164738831 720825118 /nfs/dbraw/zinc/82/51/18/720825118.db2.gz GWSPLVZROSJPNM-NNMXDRDESA-N 1 1 403.534 2.909 20 0 HFADMO F[C@H](Oc1ccc(Cl)nc1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746081 720828970 /nfs/dbraw/zinc/82/89/70/720828970.db2.gz XXMQBBJIINWNGH-CIWUYKSXSA-N 1 1 420.920 2.833 20 0 HFADMO CCOC(=O)c1cc(C)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737999 720829057 /nfs/dbraw/zinc/82/90/57/720829057.db2.gz DFOHKTPZCQTQJI-QKNQBKEWSA-N 1 1 424.549 2.538 20 0 HFADMO Cc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ncc2c1 ZINC001164742127 720831443 /nfs/dbraw/zinc/83/14/43/720831443.db2.gz PYSHHNPGUMOCCQ-JAXLGGSGSA-N 1 1 403.534 2.909 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)nc3Cl)CC[C@H]2C1 ZINC001164855258 720833867 /nfs/dbraw/zinc/83/38/67/720833867.db2.gz SYVUSFPMECLQQH-WCQYABFASA-N 1 1 411.280 2.502 20 0 HFADMO Fc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ncc2c1 ZINC001164748046 720840256 /nfs/dbraw/zinc/84/02/56/720840256.db2.gz SIXMLXJBQADMHP-HFSMHLIXSA-N 1 1 407.497 2.740 20 0 HFADMO Fc1cnc2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1 ZINC001164745245 720842519 /nfs/dbraw/zinc/84/25/19/720842519.db2.gz NBFFSRRYOVTPLG-YRISNDGFSA-N 1 1 407.497 2.740 20 0 HFADMO CSc1cnc(Cl)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164740440 720843740 /nfs/dbraw/zinc/84/37/40/720843740.db2.gz BSKJUYXIIKQNOE-OWCLPIDISA-N 1 1 419.986 2.823 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)CC[C@H]2C1 ZINC001164851565 720855603 /nfs/dbraw/zinc/85/56/03/720855603.db2.gz AYYCMPNCVVDNMV-XJKSGUPXSA-N 1 1 414.884 2.935 20 0 HFADMO CCOC(=O)c1cc2ccccc2nc1N1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001164858183 720865175 /nfs/dbraw/zinc/86/51/75/720865175.db2.gz RMMKVPRXJLPMQM-WIYYLYMNSA-N 1 1 413.518 2.585 20 0 HFADMO c1cc2nccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2n1 ZINC001164752975 720867483 /nfs/dbraw/zinc/86/74/83/720867483.db2.gz OAQGPLIHTXBFJU-QPPBQGQZSA-N 1 1 418.545 2.879 20 0 HFADMO COc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164754816 720868494 /nfs/dbraw/zinc/86/84/94/720868494.db2.gz SPUJCJXCZHNIRC-NFBKMPQASA-N 1 1 409.534 2.635 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)CC[C@@H]2C1 ZINC001164859499 720869714 /nfs/dbraw/zinc/86/97/14/720869714.db2.gz UDRGOAXXCBEGIJ-HUUCEWRRSA-N 1 1 414.884 2.935 20 0 HFADMO CN(C)c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164751519 720869823 /nfs/dbraw/zinc/86/98/23/720869823.db2.gz KRVKELMKNBAFPF-URXFXBBRSA-N 1 1 422.577 2.693 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCC4)CC[C@H]2C1 ZINC001164856909 720892934 /nfs/dbraw/zinc/89/29/34/720892934.db2.gz HYCCGMIYTUZOHP-KBXCAEBGSA-N 1 1 415.912 2.942 20 0 HFADMO CCOC(=O)Cc1nc(Cl)cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164863237 720953889 /nfs/dbraw/zinc/95/38/89/720953889.db2.gz ZAUXPDBAAUXHOK-CQSZACIVSA-N 1 1 420.945 2.854 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H]2CCN3C(=O)c2cnn(C)c2)nc1 ZINC001164762226 721038937 /nfs/dbraw/zinc/03/89/37/721038937.db2.gz GWUSDTSVPMKZDD-QHAWAJNXSA-N 1 1 408.550 2.855 20 0 HFADMO CCOC(=O)c1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)ncc1Cl ZINC001164869070 721052809 /nfs/dbraw/zinc/05/28/09/721052809.db2.gz RHWBJPBBVITXTL-IAGOWNOFSA-N 1 1 416.909 2.786 20 0 HFADMO COc1ccc2nc(Cl)nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c2c1 ZINC001164762493 721072344 /nfs/dbraw/zinc/07/23/44/721072344.db2.gz FDGWUQQNEMPXKX-HOTGVXAUSA-N 1 1 412.925 2.984 20 0 HFADMO Clc1nc2c(c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n1)SCC2 ZINC001164870621 721073671 /nfs/dbraw/zinc/07/36/71/721073671.db2.gz WKXGQVMXGXSYNW-HUUCEWRRSA-N 1 1 403.939 2.653 20 0 HFADMO COC(=O)c1ccc2ccnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164865559 721076832 /nfs/dbraw/zinc/07/68/32/721076832.db2.gz MVQYPCXSHCAOJI-NHCUHLMSSA-N 1 1 418.497 2.896 20 0 HFADMO CCOC(=O)c1c(Cl)cc(C)nc1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164773483 721079399 /nfs/dbraw/zinc/07/93/99/721079399.db2.gz XJMAVXDKLKHMII-IAGOWNOFSA-N 1 1 417.941 2.912 20 0 HFADMO c1ccc(COc2ccnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164864029 721086416 /nfs/dbraw/zinc/08/64/16/721086416.db2.gz DNPNUIGTRIOHJE-FCHUYYIVSA-N 1 1 417.513 2.930 20 0 HFADMO Fc1ncccc1-c1ccnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164864375 721116534 /nfs/dbraw/zinc/11/65/34/721116534.db2.gz FPBRMEXUAIUDOF-ZWKOTPCHSA-N 1 1 406.465 2.552 20 0 HFADMO Cc1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccncc2)n1 ZINC001164875349 721137116 /nfs/dbraw/zinc/13/71/16/721137116.db2.gz KXVIUAPSMBCDNY-NHCUHLMSSA-N 1 1 402.502 2.722 20 0 HFADMO Cc1nc2c(nc(Cl)nc2N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)s1 ZINC001164762663 721146527 /nfs/dbraw/zinc/14/65/27/721146527.db2.gz DDXRAIGMXNHKLW-KBPBESRZSA-N 1 1 403.943 2.740 20 0 HFADMO COC(=O)c1cc2ccccc2c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164880753 721154052 /nfs/dbraw/zinc/15/40/52/721154052.db2.gz XMFXRZDRVKLWTI-WOJBJXKFSA-N 1 1 418.497 2.896 20 0 HFADMO Cc1nc(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(Cl)c1C ZINC001164766523 721160439 /nfs/dbraw/zinc/16/04/39/721160439.db2.gz LVUTWZJGUHTVTB-JKSUJKDBSA-N 1 1 410.900 2.984 20 0 HFADMO c1cncc(CO[C@H]2C[C@H]3CN(c4cncc(N5CCCCCC5)n4)CC[N@H+]3C2)c1 ZINC001164875420 721168047 /nfs/dbraw/zinc/16/80/47/721168047.db2.gz LMWKWDNDHGKGAC-SFTDATJTSA-N 1 1 408.550 2.732 20 0 HFADMO CSc1nc2ncnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2s1 ZINC001164765018 721170107 /nfs/dbraw/zinc/17/01/07/721170107.db2.gz HLGFGRDFHACLJZ-UONOGXRCSA-N 1 1 401.565 2.500 20 0 HFADMO CC1CCN(C(=O)c2ccc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2)CC1 ZINC001164766992 721196779 /nfs/dbraw/zinc/19/67/79/721196779.db2.gz JVEMCBCTVWTSQQ-FGZHOGPDSA-N 1 1 422.577 2.646 20 0 HFADMO CC1CCN(C(=O)c2ccc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)nc2)CC1 ZINC001164766994 721197604 /nfs/dbraw/zinc/19/76/04/721197604.db2.gz JVEMCBCTVWTSQQ-VXKWHMMOSA-N 1 1 422.577 2.646 20 0 HFADMO Cc1nc(-c2ccccn2)nc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1C ZINC001164774452 721222517 /nfs/dbraw/zinc/22/25/17/721222517.db2.gz ZKIOKTLLPMFHAF-WOJBJXKFSA-N 1 1 403.534 2.847 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)C[C@H]3C2)cn1 ZINC001164766915 721224575 /nfs/dbraw/zinc/22/45/75/721224575.db2.gz JOMPDWPEWUYJMY-WOJBJXKFSA-N 1 1 415.545 2.719 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5[nH]c6cc(F)ccc6c54)C[C@@H]3C2)cn1 ZINC001164761513 721245837 /nfs/dbraw/zinc/24/58/37/721245837.db2.gz JHOYFEMBFDCYFP-CVEARBPZSA-N 1 1 405.481 2.942 20 0 HFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCCN(c4cnccn4)[C@H]3C2)nc1 ZINC001164769340 721266198 /nfs/dbraw/zinc/26/61/98/721266198.db2.gz XMUMXKINKFCRNG-QHAWAJNXSA-N 1 1 408.550 2.903 20 0 HFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nccc4c(Cl)cccc43)CC2)C1 ZINC001164869437 721273055 /nfs/dbraw/zinc/27/30/55/721273055.db2.gz OFWVIGZGJGWWJI-UHFFFAOYSA-N 1 1 416.953 2.895 20 0 HFADMO Cc1c(Cl)cnc(Cl)c1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164872960 721282928 /nfs/dbraw/zinc/28/29/28/721282928.db2.gz JVWCUOQPIMSADP-UHFFFAOYSA-N 1 1 415.365 2.704 20 0 HFADMO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164772604 721285151 /nfs/dbraw/zinc/28/51/51/721285151.db2.gz JSRWTNCLBRGQDM-UHFFFAOYSA-N 1 1 423.542 2.590 20 0 HFADMO CCN1CC[C@@]2(CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]2C)C1=O ZINC001164777478 721318314 /nfs/dbraw/zinc/31/83/14/721318314.db2.gz JUGJEXXSKVABBR-UUOWRZLLSA-N 1 1 405.546 2.730 20 0 HFADMO CCN1CC[C@@]2(CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2C)C1=O ZINC001164777478 721318321 /nfs/dbraw/zinc/31/83/21/721318321.db2.gz JUGJEXXSKVABBR-UUOWRZLLSA-N 1 1 405.546 2.730 20 0 HFADMO Cc1cccc(N(c2cccc(N3CCN(C)CC3)n2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164778011 721329909 /nfs/dbraw/zinc/32/99/09/721329909.db2.gz SNYORAPQTGBRCQ-ZJSXRUAMSA-N 1 1 407.562 2.801 20 0 HFADMO O=C(NCC1CC1)[C@@]12CCO[C@@H]1CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164887497 721343173 /nfs/dbraw/zinc/34/31/73/721343173.db2.gz UYSCGDVLENRGST-XMSQKQJNSA-N 1 1 418.969 2.842 20 0 HFADMO CC(=O)Nc1cccc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164780120 721350752 /nfs/dbraw/zinc/35/07/52/721350752.db2.gz ZVITVAODMSZXAD-QFIPXVFZSA-N 1 1 413.522 2.764 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(OC(F)F)cn3)C2)C1 ZINC001164780236 721356245 /nfs/dbraw/zinc/35/62/45/721356245.db2.gz DLFSDJFBIFHCKG-HXUWFJFHSA-N 1 1 423.464 2.802 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc(OC(F)F)cn3)C2)C1 ZINC001164780236 721356250 /nfs/dbraw/zinc/35/62/50/721356250.db2.gz DLFSDJFBIFHCKG-HXUWFJFHSA-N 1 1 423.464 2.802 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4onc(C)c43)C2)C1 ZINC001164786154 721371004 /nfs/dbraw/zinc/37/10/04/721371004.db2.gz WOZARGJQUZRVPK-OAQYLSRUSA-N 1 1 412.494 2.650 20 0 HFADMO Cn1cc(N2C[C@]3(CCN(c4nc(Cl)ccc4C[NH+]4CCCC4)C3)CC2=O)cn1 ZINC001164884092 721371955 /nfs/dbraw/zinc/37/19/55/721371955.db2.gz BTTUYXXFLKRONM-OAQYLSRUSA-N 1 1 414.941 2.698 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)nc1 ZINC001164886784 721373562 /nfs/dbraw/zinc/37/35/62/721373562.db2.gz NXGHNHVKKFEKMS-NFBKMPQASA-N 1 1 408.550 2.995 20 0 HFADMO CSc1nc(Cl)cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164893607 721382694 /nfs/dbraw/zinc/38/26/94/721382694.db2.gz WBNGAZPQQHLCAQ-DNVCBOLYSA-N 1 1 412.003 2.617 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5ccoc54)C3)O2)CC1 ZINC001164894489 721389757 /nfs/dbraw/zinc/38/97/57/721389757.db2.gz YJMUFRRMWJRDDK-QRWLVFNGSA-N 1 1 405.930 2.642 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccnc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164885703 721390778 /nfs/dbraw/zinc/39/07/78/721390778.db2.gz DDJBPDAJFCEOKX-XUZZJYLKSA-N 1 1 407.562 2.909 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4SCC5)C3)O2)CC1 ZINC001164892443 721402350 /nfs/dbraw/zinc/40/23/50/721402350.db2.gz YGRFTWOQRRYNEC-QRWLVFNGSA-N 1 1 424.014 2.544 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc5[nH]ccc5cc4Cl)C3)O2)CC1 ZINC001164885802 721420631 /nfs/dbraw/zinc/42/06/31/721420631.db2.gz HMVSCWMSCDJIGV-LAUBAEHRSA-N 1 1 403.958 2.933 20 0 HFADMO FC(F)(COc1cncc(Cl)n1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164790987 721428778 /nfs/dbraw/zinc/42/87/78/721428778.db2.gz YVUGSXWBWFYIMS-VXGBXAGGSA-N 1 1 401.870 2.622 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccncc5)cn4)C3)O2)CC1 ZINC001164893669 721431448 /nfs/dbraw/zinc/43/14/48/721431448.db2.gz JWPHVIMOPXHNDS-VWNXMTODSA-N 1 1 407.562 2.909 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(-c5ccccc5)ncn4)C3)O2)CC1 ZINC001164896425 721432153 /nfs/dbraw/zinc/43/21/53/721432153.db2.gz RIHAZNBWEHNYNW-XUZZJYLKSA-N 1 1 407.562 2.909 20 0 HFADMO Cc1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(-c2ccco2)n1 ZINC001164895808 721440275 /nfs/dbraw/zinc/44/02/75/721440275.db2.gz PXOMHAVFJQMFIA-AUSIDOKSSA-N 1 1 411.550 2.810 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cccnc31)CC2 ZINC001164789246 721452520 /nfs/dbraw/zinc/45/25/20/721452520.db2.gz UDZIVTBRGGIVKF-LJQANCHMSA-N 1 1 411.550 2.759 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(C5CCC5)nc5[nH]ccc54)C3)O2)CC1 ZINC001164892802 721453395 /nfs/dbraw/zinc/45/33/95/721453395.db2.gz YHTWZURRMXIGDG-CYFREDJKSA-N 1 1 424.593 2.991 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(SC)nn1)CC2 ZINC001164791712 721467422 /nfs/dbraw/zinc/46/74/22/721467422.db2.gz XVONHWSKGDYNTA-SFHVURJKSA-N 1 1 406.596 2.932 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccnc1OC(C)C)CC2 ZINC001164789927 721469913 /nfs/dbraw/zinc/46/99/13/721469913.db2.gz PENWCVXLCVSZCR-FQEVSTJZSA-N 1 1 418.582 2.998 20 0 HFADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc(Cl)c1C(N)=O)CC2 ZINC001164792278 721497076 /nfs/dbraw/zinc/49/70/76/721497076.db2.gz MUOVWALZPWCDDL-UHFFFAOYSA-N 1 1 400.914 2.505 20 0 HFADMO CCOC(=O)c1ccc(C)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164794477 721524143 /nfs/dbraw/zinc/52/41/43/721524143.db2.gz DTMYILJUYIAZBM-PCCBWWKXSA-N 1 1 410.518 2.830 20 0 HFADMO Cc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1NCC1CC1 ZINC001164796512 721524412 /nfs/dbraw/zinc/52/44/12/721524412.db2.gz ZKFXXRUJZKWJAO-ACRUOGEOSA-N 1 1 408.550 2.870 20 0 HFADMO Cc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1NCC1CC1 ZINC001164796512 721524418 /nfs/dbraw/zinc/52/44/18/721524418.db2.gz ZKFXXRUJZKWJAO-ACRUOGEOSA-N 1 1 408.550 2.870 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)N2CCCC2)[C@H]2CCCO[C@H]12 ZINC001164795641 721525268 /nfs/dbraw/zinc/52/52/68/721525268.db2.gz PZYWEDJQTWMPEE-BDTNDASRSA-N 1 1 421.545 2.581 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)N2CCCC2)[C@H]2CCCO[C@H]12 ZINC001164795641 721525270 /nfs/dbraw/zinc/52/52/70/721525270.db2.gz PZYWEDJQTWMPEE-BDTNDASRSA-N 1 1 421.545 2.581 20 0 HFADMO COC(=O)c1c[nH]c2nc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)ccc12 ZINC001164900819 721525310 /nfs/dbraw/zinc/52/53/10/721525310.db2.gz VCRYDFOVENDLLE-RDJZCZTQSA-N 1 1 410.449 2.831 20 0 HFADMO CCOC(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1C ZINC001164795623 721525606 /nfs/dbraw/zinc/52/56/06/721525606.db2.gz PKEHRJRFLLQEDI-JAXLGGSGSA-N 1 1 410.518 2.830 20 0 HFADMO CCOC(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1C ZINC001164795623 721525611 /nfs/dbraw/zinc/52/56/11/721525611.db2.gz PKEHRJRFLLQEDI-JAXLGGSGSA-N 1 1 410.518 2.830 20 0 HFADMO COC(=O)c1cc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164811110 721531138 /nfs/dbraw/zinc/53/11/38/721531138.db2.gz YRIZYXKTPJZNTP-FUHIMQAGSA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1cc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164811110 721531142 /nfs/dbraw/zinc/53/11/42/721531142.db2.gz YRIZYXKTPJZNTP-FUHIMQAGSA-N 1 1 416.909 2.785 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164802444 721537183 /nfs/dbraw/zinc/53/71/83/721537183.db2.gz GJCQXZUGHVWSTC-IIDMSEBBSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164802444 721537187 /nfs/dbraw/zinc/53/71/87/721537187.db2.gz GJCQXZUGHVWSTC-IIDMSEBBSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nn2)[C@H]2CCCO[C@@H]12 ZINC001164802442 721537596 /nfs/dbraw/zinc/53/75/96/721537596.db2.gz GJCQXZUGHVWSTC-HDMKZQKVSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nn2)[C@H]2CCCO[C@@H]12 ZINC001164802442 721537599 /nfs/dbraw/zinc/53/75/99/721537599.db2.gz GJCQXZUGHVWSTC-HDMKZQKVSA-N 1 1 409.868 2.938 20 0 HFADMO O=C1NCc2c1c(N1CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C1)nc(Cl)c2F ZINC001164908115 721538700 /nfs/dbraw/zinc/53/87/00/721538700.db2.gz OSICEIWZUPROKW-TZMCWYRMSA-N 1 1 420.847 2.599 20 0 HFADMO CCOC(=O)c1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c(C)c1 ZINC001164802307 721542335 /nfs/dbraw/zinc/54/23/35/721542335.db2.gz FXPMOUGELAETRE-PCCBWWKXSA-N 1 1 410.518 2.830 20 0 HFADMO CNC(=O)c1nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1Cl ZINC001164903430 721542400 /nfs/dbraw/zinc/54/24/00/721542400.db2.gz CLTCZQUAEIVYRA-ZBFHGGJFSA-N 1 1 404.873 2.576 20 0 HFADMO Cc1nc2nc(Cl)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2[nH]1 ZINC001164800659 721542846 /nfs/dbraw/zinc/54/28/46/721542846.db2.gz CYFPESZBOQYJTC-ZOBUZTSGSA-N 1 1 413.913 2.578 20 0 HFADMO Cc1nc2nc(Cl)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2[nH]1 ZINC001164800659 721542850 /nfs/dbraw/zinc/54/28/50/721542850.db2.gz CYFPESZBOQYJTC-ZOBUZTSGSA-N 1 1 413.913 2.578 20 0 HFADMO COc1nc(Cl)nc(C)c1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164810606 721554336 /nfs/dbraw/zinc/55/43/36/721554336.db2.gz ZJGTZTZTNBXSNV-RYRKJORJSA-N 1 1 403.914 2.710 20 0 HFADMO COc1nc(Cl)nc(C)c1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164810606 721554337 /nfs/dbraw/zinc/55/43/37/721554337.db2.gz ZJGTZTZTNBXSNV-RYRKJORJSA-N 1 1 403.914 2.710 20 0 HFADMO COc1ccc2nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)ncc2c1 ZINC001164809413 721558094 /nfs/dbraw/zinc/55/80/94/721558094.db2.gz XDSIHAXWHZAICY-FDFHNCONSA-N 1 1 405.502 2.902 20 0 HFADMO COc1ccc2nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)ncc2c1 ZINC001164809413 721558096 /nfs/dbraw/zinc/55/80/96/721558096.db2.gz XDSIHAXWHZAICY-FDFHNCONSA-N 1 1 405.502 2.902 20 0 HFADMO CCOC(=O)c1cnc(CC)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903480 721562439 /nfs/dbraw/zinc/56/24/39/721562439.db2.gz BJKRRHCBEDRTDP-FUHWJXTLSA-N 1 1 414.481 2.697 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(-c3cccnc3F)n2)[C@@H]2CCCO[C@H]21 ZINC001164810691 721568274 /nfs/dbraw/zinc/56/82/74/721568274.db2.gz ZWNMQIHQJBQHPS-NJDAHSKKSA-N 1 1 420.492 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(-c3cccnc3F)n2)[C@@H]2CCCO[C@H]21 ZINC001164810691 721568276 /nfs/dbraw/zinc/56/82/76/721568276.db2.gz ZWNMQIHQJBQHPS-NJDAHSKKSA-N 1 1 420.492 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCCCC3)ncn2)[C@H]2CCCO[C@H]12 ZINC001164803939 721576250 /nfs/dbraw/zinc/57/62/50/721576250.db2.gz JWNYKBQEFPXFHD-MZKRTTBSSA-N 1 1 408.550 2.730 20 0 HFADMO CN(Cc1cccnc1)[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164805667 721576318 /nfs/dbraw/zinc/57/63/18/721576318.db2.gz OKCHQVHZGWMKAW-CQOQZXRMSA-N 1 1 407.562 2.941 20 0 HFADMO COc1nc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905992 721695908 /nfs/dbraw/zinc/69/59/08/721695908.db2.gz KUGXCNUGVRWJDS-QGZVFWFLSA-N 1 1 410.856 2.666 20 0 HFADMO COC(=O)Cc1cccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905994 721701454 /nfs/dbraw/zinc/70/14/54/721701454.db2.gz KUQGUUPICAAQLU-OAQYLSRUSA-N 1 1 416.472 2.930 20 0 HFADMO FC1(F)CCN(c2cncc(-n3ccnc3)n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906263 721716174 /nfs/dbraw/zinc/71/61/74/721716174.db2.gz LWTDXGWHHKJRJB-HXUWFJFHSA-N 1 1 411.460 2.795 20 0 HFADMO NC(=O)c1ccnc(Cl)c1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164913087 721734705 /nfs/dbraw/zinc/73/47/05/721734705.db2.gz SJPFXDZOWFCKNR-LJQANCHMSA-N 1 1 421.879 2.967 20 0 HFADMO CCOC(=O)c1cncnc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164913486 721743448 /nfs/dbraw/zinc/74/34/48/721743448.db2.gz WHJDSRRCUUBNFG-UHFFFAOYSA-N 1 1 407.474 2.836 20 0 HFADMO CCOC(=O)c1cncnc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164913486 721743450 /nfs/dbraw/zinc/74/34/50/721743450.db2.gz WHJDSRRCUUBNFG-UHFFFAOYSA-N 1 1 407.474 2.836 20 0 HFADMO CON(C)C(=O)c1cccnc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164910138 721758512 /nfs/dbraw/zinc/75/85/12/721758512.db2.gz OICXZMVDWDNFSK-UHFFFAOYSA-N 1 1 421.501 2.898 20 0 HFADMO CON(C)C(=O)c1cccnc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164910138 721758516 /nfs/dbraw/zinc/75/85/16/721758516.db2.gz OICXZMVDWDNFSK-UHFFFAOYSA-N 1 1 421.501 2.898 20 0 HFADMO Fc1cccc2c1ccnc2N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916704 721785896 /nfs/dbraw/zinc/78/58/96/721785896.db2.gz SPTPJBPTNASHKL-QHCPKHFHSA-N 1 1 408.477 2.877 20 0 HFADMO Fc1cccc2c1ccnc2N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916704 721785899 /nfs/dbraw/zinc/78/58/99/721785899.db2.gz SPTPJBPTNASHKL-QHCPKHFHSA-N 1 1 408.477 2.877 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914216 721801421 /nfs/dbraw/zinc/80/14/21/721801421.db2.gz KUGNPMJFDMUUOO-QFIPXVFZSA-N 1 1 416.953 2.969 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914216 721801423 /nfs/dbraw/zinc/80/14/23/721801423.db2.gz KUGNPMJFDMUUOO-QFIPXVFZSA-N 1 1 416.953 2.969 20 0 HFADMO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026363 721803837 /nfs/dbraw/zinc/80/38/37/721803837.db2.gz QYXKCQAIYIRMOS-ZAAXVRCTSA-N 1 1 420.517 2.828 20 0 HFADMO COC(=O)c1cc2c(ncnc2N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH]1 ZINC001165026363 721803838 /nfs/dbraw/zinc/80/38/38/721803838.db2.gz QYXKCQAIYIRMOS-ZAAXVRCTSA-N 1 1 420.517 2.828 20 0 HFADMO COC(=O)c1cc2c(ncnc2N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH]1 ZINC001165026363 721803839 /nfs/dbraw/zinc/80/38/39/721803839.db2.gz QYXKCQAIYIRMOS-ZAAXVRCTSA-N 1 1 420.517 2.828 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3S(C)(=O)=O)C[C@@H]21 ZINC001165021297 721807251 /nfs/dbraw/zinc/80/72/51/721807251.db2.gz GCSLBNSXEYPKFC-YTQUADARSA-N 1 1 400.548 2.617 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3S(C)(=O)=O)C[C@H]21 ZINC001165021291 721807430 /nfs/dbraw/zinc/80/74/30/721807430.db2.gz GCSLBNSXEYPKFC-BHIYHBOVSA-N 1 1 400.548 2.617 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(S(C)(=O)=O)cn3)C[C@H]21 ZINC001165022356 721821325 /nfs/dbraw/zinc/82/13/25/721821325.db2.gz GXZLRHQFCHOMEP-NSISKUIASA-N 1 1 400.548 2.617 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3C(C)(C)C(=O)N4)C[C@H]21 ZINC001165023934 721821573 /nfs/dbraw/zinc/82/15/73/721821573.db2.gz IVGSLLCXTYYOKJ-CGTJXYLNSA-N 1 1 406.534 2.838 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C(=O)NC4CC4)nn3)C[C@H]21 ZINC001165030196 721827234 /nfs/dbraw/zinc/82/72/34/721827234.db2.gz YTQALYIZMJZERE-LDQXTDLNSA-N 1 1 406.534 2.501 20 0 HFADMO CNC(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165024733 721831410 /nfs/dbraw/zinc/83/14/10/721831410.db2.gz LAFHSVFAIXSSCM-YXJHDRRASA-N 1 1 414.941 2.622 20 0 HFADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ncc(NC(=O)OC(C)(C)C)c2nc[nH]c21 ZINC001164926010 721876532 /nfs/dbraw/zinc/87/65/32/721876532.db2.gz PUQFOLFHQUHXJN-JKSUJKDBSA-N 1 1 415.542 2.520 20 0 HFADMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncc(NC(=O)OC(C)(C)C)c2nc[nH]c21 ZINC001164926010 721876535 /nfs/dbraw/zinc/87/65/35/721876535.db2.gz PUQFOLFHQUHXJN-JKSUJKDBSA-N 1 1 415.542 2.520 20 0 HFADMO CCOC(=O)c1sc2nc(C)nc(N3CC[C@H]4[C@H]3CC[N@H+]4CCN(C)C)c2c1C ZINC001164932337 721878179 /nfs/dbraw/zinc/87/81/79/721878179.db2.gz IUUCDCCRLMGJPZ-JKSUJKDBSA-N 1 1 417.579 2.699 20 0 HFADMO CCOC(=O)c1sc2nc(C)nc(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)c2c1C ZINC001164932337 721878180 /nfs/dbraw/zinc/87/81/80/721878180.db2.gz IUUCDCCRLMGJPZ-JKSUJKDBSA-N 1 1 417.579 2.699 20 0 HFADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1cncc(OCc2cccc(Cl)c2)n1 ZINC001164936350 721888003 /nfs/dbraw/zinc/88/80/03/721888003.db2.gz ZPSBKFLRULFQQI-RTBURBONSA-N 1 1 401.942 2.924 20 0 HFADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1cncc(OCc2cccc(Cl)c2)n1 ZINC001164936350 721888004 /nfs/dbraw/zinc/88/80/04/721888004.db2.gz ZPSBKFLRULFQQI-RTBURBONSA-N 1 1 401.942 2.924 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001164940354 721919858 /nfs/dbraw/zinc/91/98/58/721919858.db2.gz ZMRXVCOMEDRFLY-DYESRHJHSA-N 1 1 407.942 2.843 20 0 HFADMO Cc1csc2ncnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c12 ZINC001164947017 721968785 /nfs/dbraw/zinc/96/87/85/721968785.db2.gz OVSASVOBULCCBN-UHFFFAOYSA-N 1 1 407.543 2.971 20 0 HFADMO Cc1csc2ncnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c12 ZINC001164947017 721968786 /nfs/dbraw/zinc/96/87/86/721968786.db2.gz OVSASVOBULCCBN-UHFFFAOYSA-N 1 1 407.543 2.971 20 0 HFADMO Cc1nnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c2ccccc12 ZINC001164946930 721978161 /nfs/dbraw/zinc/97/81/61/721978161.db2.gz MGXKQNJYNCRLOZ-UHFFFAOYSA-N 1 1 401.514 2.909 20 0 HFADMO Cc1nnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c2ccccc12 ZINC001164946930 721978164 /nfs/dbraw/zinc/97/81/64/721978164.db2.gz MGXKQNJYNCRLOZ-UHFFFAOYSA-N 1 1 401.514 2.909 20 0 HFADMO COc1cccc2ncnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c21 ZINC001164946414 721978779 /nfs/dbraw/zinc/97/87/79/721978779.db2.gz FIPIPJYPRBANHQ-UHFFFAOYSA-N 1 1 417.513 2.609 20 0 HFADMO COc1cccc2ncnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c21 ZINC001164946414 721978780 /nfs/dbraw/zinc/97/87/80/721978780.db2.gz FIPIPJYPRBANHQ-UHFFFAOYSA-N 1 1 417.513 2.609 20 0 HFADMO CN1CCN(c2cccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)n2)CC1 ZINC001164955643 722019379 /nfs/dbraw/zinc/01/93/79/722019379.db2.gz LSXIPNNKXDLHTQ-UHFFFAOYSA-N 1 1 406.578 2.721 20 0 HFADMO CN1CCN(c2cccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)n2)CC1 ZINC001164955643 722019383 /nfs/dbraw/zinc/01/93/83/722019383.db2.gz LSXIPNNKXDLHTQ-UHFFFAOYSA-N 1 1 406.578 2.721 20 0 HFADMO COC(=O)c1cc(C)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001164959742 722052204 /nfs/dbraw/zinc/05/22/04/722052204.db2.gz NNXWKKDFIJIHHI-UHFFFAOYSA-N 1 1 410.518 2.691 20 0 HFADMO Clc1nc(Cl)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164963227 722054327 /nfs/dbraw/zinc/05/43/27/722054327.db2.gz JCSFQEHRJCBOOZ-UHFFFAOYSA-N 1 1 409.321 2.692 20 0 HFADMO COc1cnnc(Cl)c1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164962929 722055948 /nfs/dbraw/zinc/05/59/48/722055948.db2.gz FXUMHEVEWDPTGO-UHFFFAOYSA-N 1 1 403.914 2.653 20 0 HFADMO COc1ncc(Cl)c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164962602 722061453 /nfs/dbraw/zinc/06/14/53/722061453.db2.gz UTGKHOANRMROOA-UHFFFAOYSA-N 1 1 403.914 2.653 20 0 HFADMO CCOC(=O)c1sc2nc(C)nc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c2c1C ZINC001164966959 722075518 /nfs/dbraw/zinc/07/55/18/722075518.db2.gz HQFDYTZISITNRU-IYBDPMFKSA-N 1 1 416.547 2.784 20 0 HFADMO COC(=O)c1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164984275 722099574 /nfs/dbraw/zinc/09/95/74/722099574.db2.gz RWJZJMXMSHLTOF-LPHOPBHVSA-N 1 1 416.909 2.644 20 0 HFADMO CCOC(=O)/C=C\c1cccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980800 722102267 /nfs/dbraw/zinc/10/22/67/722102267.db2.gz KKUOAIRNOXGEPC-BOECQMNCSA-N 1 1 422.529 2.780 20 0 HFADMO FC(F)(c1cnc(Cl)cn1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976328 722102939 /nfs/dbraw/zinc/10/29/39/722102939.db2.gz CPKRZQWLSNUEGJ-JKSUJKDBSA-N 1 1 409.868 2.797 20 0 HFADMO COc1cccc2c1ncnc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164985182 722106290 /nfs/dbraw/zinc/10/62/90/722106290.db2.gz VGQFSGKPAWTERB-NQIIRXRSSA-N 1 1 405.502 2.761 20 0 HFADMO CCOC(=O)c1c(C)cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1C ZINC001164971461 722125643 /nfs/dbraw/zinc/12/56/43/722125643.db2.gz COLHISKXBJMJKG-LEWJYISDSA-N 1 1 424.545 2.997 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4cncc(N5CCCCC5)n4)CC[C@H]3C2)c1 ZINC001164980923 722131407 /nfs/dbraw/zinc/13/14/07/722131407.db2.gz NTRHIARKFIAGTM-LEWJYISDSA-N 1 1 408.550 2.589 20 0 HFADMO COC(=O)/C=C/c1cc(C)cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979653 722133822 /nfs/dbraw/zinc/13/38/22/722133822.db2.gz LRGBNHCYEVLNSO-QDWIBDRMSA-N 1 1 422.529 2.699 20 0 HFADMO Cc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(-c2ccncc2)n1 ZINC001164983352 722138437 /nfs/dbraw/zinc/13/84/37/722138437.db2.gz UOUKDXIJGLQOKM-FGZHOGPDSA-N 1 1 416.529 2.969 20 0 HFADMO C[C@@H]1CCCN(c2cc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)ncn2)C1 ZINC001164985417 722149467 /nfs/dbraw/zinc/14/94/67/722149467.db2.gz ZJOGRMGSFGLOTA-FCEUIQTBSA-N 1 1 422.577 2.835 20 0 HFADMO c1cc2c(nc(C3CC3)nc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH]1 ZINC001164973059 722153734 /nfs/dbraw/zinc/15/37/34/722153734.db2.gz KNYRYKHKZFGPDU-UYAOXDASSA-N 1 1 404.518 2.958 20 0 HFADMO CCN(C)c1cc[nH+]c(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)n1 ZINC001164987561 722173632 /nfs/dbraw/zinc/17/36/32/722173632.db2.gz OEYUJMMMRXMVFC-ZWKOTPCHSA-N 1 1 402.568 2.567 20 0 HFADMO CNC(=O)c1cc(Cl)nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164997456 722213171 /nfs/dbraw/zinc/21/31/71/722213171.db2.gz QLHZOPDKEJKUHF-HXUWFJFHSA-N 1 1 403.889 2.874 20 0 HFADMO Cc1cc(C(F)(F)N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)cc(Cl)n1 ZINC001164998171 722229406 /nfs/dbraw/zinc/22/94/06/722229406.db2.gz ZBIQJJFCHLTNNR-UHFFFAOYSA-N 1 1 422.911 2.735 20 0 HFADMO Cc1ccc(C(F)(F)N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1Cl ZINC001164997560 722234181 /nfs/dbraw/zinc/23/41/81/722234181.db2.gz PVMXCMTZKYCUMZ-UHFFFAOYSA-N 1 1 422.911 2.735 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000790541162 1078047470 /nfs/dbraw/zinc/04/74/70/1078047470.db2.gz ZWOVODXLFVSBKR-DOTOQJQBSA-N 1 1 411.930 2.564 20 0 HFADMO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1Br ZINC000793012525 1078048383 /nfs/dbraw/zinc/04/83/83/1078048383.db2.gz YLAWLCMFEJNEBT-HIFRSBDPSA-N 1 1 421.339 2.566 20 0 HFADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNCc1cnn(Cc2ccccc2)c1Cl ZINC000790533379 1078052858 /nfs/dbraw/zinc/05/28/58/1078052858.db2.gz NHNWMALNJZJVJO-LJQANCHMSA-N 1 1 403.958 2.617 20 0 HFADMO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]Cc1cnn(Cc2ccccc2)c1Cl ZINC000790533379 1078052861 /nfs/dbraw/zinc/05/28/61/1078052861.db2.gz NHNWMALNJZJVJO-LJQANCHMSA-N 1 1 403.958 2.617 20 0 HFADMO CC[N@H+]1CCC[C@@H]1CNC(=S)Nc1cc(F)ccc1N1CCCN(C(C)=O)CC1 ZINC000790611678 1078075612 /nfs/dbraw/zinc/07/56/12/1078075612.db2.gz ACVASJPHXZHYBY-GOSISDBHSA-N 1 1 421.586 2.655 20 0 HFADMO O=C(NCc1c[nH+]c2n1CCCC2)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000793111352 1078082427 /nfs/dbraw/zinc/08/24/27/1078082427.db2.gz XWCJZVIJZUHIQF-UHFFFAOYSA-N 1 1 417.460 2.743 20 0 HFADMO COCC1(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793167649 1078089787 /nfs/dbraw/zinc/08/97/87/1078089787.db2.gz HALBZZKMIIFZBK-QZTJIDSGSA-N 1 1 411.587 2.887 20 0 HFADMO COCC1(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCN(C(=O)OC(C)(C)C)CC1 ZINC000790710752 1078103689 /nfs/dbraw/zinc/10/36/89/1078103689.db2.gz XVCKEVUSHGAJLV-QZTJIDSGSA-N 1 1 424.586 2.576 20 0 HFADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1nc(Br)ccc1Br ZINC000790768558 1078114365 /nfs/dbraw/zinc/11/43/65/1078114365.db2.gz VJVQFLURCSUTEN-KCJUWKMLSA-N 1 1 403.118 2.819 20 0 HFADMO O=C(NC[C@@H]1CCC[N@@H+](CCN2C(=O)c3ccccc3C2=O)C1)OCc1ccccc1 ZINC000793298147 1078121983 /nfs/dbraw/zinc/12/19/83/1078121983.db2.gz KOUMXKDFLZKJQZ-IBGZPJMESA-N 1 1 421.497 2.921 20 0 HFADMO C[NH+]1CCN(c2nc3ccccc3nc2N2CCC(Oc3ccc(F)nc3)CC2)CC1 ZINC000790790361 1078135310 /nfs/dbraw/zinc/13/53/10/1078135310.db2.gz HCSMDMBQHCZYHV-UHFFFAOYSA-N 1 1 422.508 2.964 20 0 HFADMO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=S)NCCC[NH+]1CCOCC1 ZINC000793326846 1078138363 /nfs/dbraw/zinc/13/83/63/1078138363.db2.gz YMYSZFSJNOSYQJ-OAHLLOKOSA-N 1 1 414.978 2.586 20 0 HFADMO Cc1cc(C)c(C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)cc1C=O ZINC000793403343 1078168684 /nfs/dbraw/zinc/16/86/84/1078168684.db2.gz QZGCBTCYVCLYGR-UHFFFAOYSA-N 1 1 422.529 2.578 20 0 HFADMO CCOC(=O)[C@@]1(COC)CCC[N@H+](CN2CC[C@@H](CCc3ccccc3)C2=O)C1 ZINC000793515497 1078197062 /nfs/dbraw/zinc/19/70/62/1078197062.db2.gz KAYSFHTZOZSIQR-OFNKIYASSA-N 1 1 402.535 2.717 20 0 HFADMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](CN2CC[C@@H](CCc3ccccc3)C2=O)C1 ZINC000793515497 1078197064 /nfs/dbraw/zinc/19/70/64/1078197064.db2.gz KAYSFHTZOZSIQR-OFNKIYASSA-N 1 1 402.535 2.717 20 0 HFADMO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)sc1C ZINC001170434009 1078201227 /nfs/dbraw/zinc/20/12/27/1078201227.db2.gz DBJWGWXNFLWBRR-PBHICJAKSA-N 1 1 403.552 2.717 20 0 HFADMO Cc1nc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)sc1C ZINC001170434009 1078201231 /nfs/dbraw/zinc/20/12/31/1078201231.db2.gz DBJWGWXNFLWBRR-PBHICJAKSA-N 1 1 403.552 2.717 20 0 HFADMO CCO[C@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)NCc2c[nH+]c3n2CCCC3)C1(C)C ZINC000793501956 1078204126 /nfs/dbraw/zinc/20/41/26/1078204126.db2.gz YDRUIJAQKGVRIM-KSFYIVLOSA-N 1 1 420.554 2.934 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000793552801 1078209098 /nfs/dbraw/zinc/20/90/98/1078209098.db2.gz KEZSJJUFYFDBJM-CJNGLKHVSA-N 1 1 416.526 2.598 20 0 HFADMO C[C@H](NC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C)C1([NH+]2CCOCC2)CCCC1 ZINC000793575986 1078212931 /nfs/dbraw/zinc/21/29/31/1078212931.db2.gz WXNBLPNMOUOMCB-IRXDYDNUSA-N 1 1 409.571 2.782 20 0 HFADMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000793584536 1078215237 /nfs/dbraw/zinc/21/52/37/1078215237.db2.gz OFQCQOGLBMMHOB-WMZOPIPTSA-N 1 1 404.942 2.948 20 0 HFADMO COc1nc2ccccc2cc1CN1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000793604072 1078221901 /nfs/dbraw/zinc/22/19/01/1078221901.db2.gz NNGRMVHHUGOUDO-SFHVURJKSA-N 1 1 400.523 2.884 20 0 HFADMO COc1nc2ccccc2cc1CN1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000793604072 1078221905 /nfs/dbraw/zinc/22/19/05/1078221905.db2.gz NNGRMVHHUGOUDO-SFHVURJKSA-N 1 1 400.523 2.884 20 0 HFADMO COc1cc2c(c(CN3CC[N@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)c1)O[C@@H](C)C2 ZINC000793604563 1078222910 /nfs/dbraw/zinc/22/29/10/1078222910.db2.gz RHMAZCKYRXMEEL-YJBOKZPZSA-N 1 1 405.539 2.659 20 0 HFADMO COc1cc2c(c(CN3CC[N@@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)c1)O[C@@H](C)C2 ZINC000793604563 1078222914 /nfs/dbraw/zinc/22/29/14/1078222914.db2.gz RHMAZCKYRXMEEL-YJBOKZPZSA-N 1 1 405.539 2.659 20 0 HFADMO COC(=O)c1ccccc1CC1CC[NH+](CN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000793606512 1078223799 /nfs/dbraw/zinc/22/37/99/1078223799.db2.gz IWLHGZNRXBYUOM-UHFFFAOYSA-N 1 1 413.518 2.940 20 0 HFADMO C[C@H](O)c1ccc(CNC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000793654208 1078226679 /nfs/dbraw/zinc/22/66/79/1078226679.db2.gz SSNKNECWDYPSAN-QKYXUNIQSA-N 1 1 415.559 2.617 20 0 HFADMO COC(=O)[C@]1(NC(=O)C[C@H]2CCC[C@@H](OC)C2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000793638072 1078237159 /nfs/dbraw/zinc/23/71/59/1078237159.db2.gz VSBZPUGOPYWHQS-MZKRTTBSSA-N 1 1 402.535 2.906 20 0 HFADMO CC(=O)N1C[C@H](C(=O)Nc2ccccc2C[NH+]2CCSCC2)Oc2ccccc21 ZINC000747137523 1078245764 /nfs/dbraw/zinc/24/57/64/1078245764.db2.gz WTEKRPKSSDIPAR-OAQYLSRUSA-N 1 1 411.527 2.988 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000793684114 1078254736 /nfs/dbraw/zinc/25/47/36/1078254736.db2.gz SOQOSFGMGLDMKT-TZIWHRDSSA-N 1 1 409.530 2.599 20 0 HFADMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C)COc2ccccc2)CC1 ZINC000793684967 1078255403 /nfs/dbraw/zinc/25/54/03/1078255403.db2.gz FRHVTJUZRBBWHI-HXUWFJFHSA-N 1 1 409.530 2.613 20 0 HFADMO C[C@@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000793689193 1078257188 /nfs/dbraw/zinc/25/71/88/1078257188.db2.gz KTJIVFRXGNRLBC-BEFAXECRSA-N 1 1 403.523 2.823 20 0 HFADMO C[C@@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000793689193 1078257195 /nfs/dbraw/zinc/25/71/95/1078257195.db2.gz KTJIVFRXGNRLBC-BEFAXECRSA-N 1 1 403.523 2.823 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C(=O)C4(CCC4)[C@@H]3[C@@H]3CCCO3)CC[C@H]21 ZINC000793711731 1078260859 /nfs/dbraw/zinc/26/08/59/1078260859.db2.gz XKNQDHSXCUBKLW-YRXWBPOGSA-N 1 1 419.566 2.835 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C(=O)C4(CCC4)[C@@H]3[C@@H]3CCCO3)CC[C@H]21 ZINC000793711731 1078260864 /nfs/dbraw/zinc/26/08/64/1078260864.db2.gz XKNQDHSXCUBKLW-YRXWBPOGSA-N 1 1 419.566 2.835 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000793719842 1078264863 /nfs/dbraw/zinc/26/48/63/1078264863.db2.gz DKKBTRAXSXMMFJ-CJNGLKHVSA-N 1 1 416.526 2.598 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC001170436555 1078267886 /nfs/dbraw/zinc/26/78/86/1078267886.db2.gz IYYMJMFFHOSEDS-VQTJNVASSA-N 1 1 412.530 2.863 20 0 HFADMO COC(=O)[C@H]1CC(=O)N(CN2CC[N@@H+](CCCc3ccccc3)C[C@H]2CC(C)C)C1 ZINC000793726633 1078268149 /nfs/dbraw/zinc/26/81/49/1078268149.db2.gz YFPRVGXKRIKAIW-FCHUYYIVSA-N 1 1 415.578 2.631 20 0 HFADMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(=O)NCC1CCCCCCC1 ZINC000793754356 1078277872 /nfs/dbraw/zinc/27/78/72/1078277872.db2.gz MCIJVAJPYJNASY-JOCHJYFZSA-N 1 1 415.578 2.870 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000793694321 1078270430 /nfs/dbraw/zinc/27/04/30/1078270430.db2.gz HEWMAUINDJISHD-QZTJIDSGSA-N 1 1 415.559 2.660 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793696896 1078272105 /nfs/dbraw/zinc/27/21/05/1078272105.db2.gz KQFFHCRYHSGTNF-TZIWHRDSSA-N 1 1 409.530 2.551 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793696893 1078272190 /nfs/dbraw/zinc/27/21/90/1078272190.db2.gz KQFFHCRYHSGTNF-CTNGQTDRSA-N 1 1 409.530 2.551 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(CO)C1 ZINC001170436401 1078276666 /nfs/dbraw/zinc/27/66/66/1078276666.db2.gz IJGBUQWEOYVBDM-IUKKYPGJSA-N 1 1 418.534 2.898 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)N2CCCCO2)C1 ZINC001170436729 1078281117 /nfs/dbraw/zinc/28/11/17/1078281117.db2.gz KJJSBFYOPJNTIF-MDPIYQRISA-N 1 1 416.518 2.627 20 0 HFADMO CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N3CC[NH+](C(C)(C)CO)CC3)ccc21 ZINC000793734445 1078284486 /nfs/dbraw/zinc/28/44/86/1078284486.db2.gz AOAHKMYKFTWGAK-UHFFFAOYSA-N 1 1 417.550 2.903 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H](C)C(C)(C)c1ccccc1 ZINC000793807766 1078306206 /nfs/dbraw/zinc/30/62/06/1078306206.db2.gz SRJLZEUHWPODKU-INIZCTEOSA-N 1 1 405.502 2.674 20 0 HFADMO CCc1ccc(C(C)(C)CNC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2C)cc1 ZINC000793803007 1078303538 /nfs/dbraw/zinc/30/35/38/1078303538.db2.gz ANHQZICLYMFTFU-UHFFFAOYSA-N 1 1 419.529 2.848 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000793806047 1078304935 /nfs/dbraw/zinc/30/49/35/1078304935.db2.gz RTVFNNZHVPMSLD-IBGZPJMESA-N 1 1 407.449 2.695 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC(c2ccccc2)CC1 ZINC000793806226 1078304995 /nfs/dbraw/zinc/30/49/95/1078304995.db2.gz SOVRBMPVKPAITI-UHFFFAOYSA-N 1 1 403.486 2.598 20 0 HFADMO C/C(=C\c1ccccc1)CN(C)C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000793807451 1078305524 /nfs/dbraw/zinc/30/55/24/1078305524.db2.gz HLQDXNQWUUOBQY-SAPNQHFASA-N 1 1 403.486 2.754 20 0 HFADMO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793796165 1078300499 /nfs/dbraw/zinc/30/04/99/1078300499.db2.gz XHJVTZUETQELLQ-TZIWHRDSSA-N 1 1 409.530 2.517 20 0 HFADMO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793796159 1078300578 /nfs/dbraw/zinc/30/05/78/1078300578.db2.gz XHJVTZUETQELLQ-CTNGQTDRSA-N 1 1 409.530 2.517 20 0 HFADMO Cc1cc(N2CCC(NC(=O)C(=O)NCC3CCCCCCC3)CC2)nc(C)[nH+]1 ZINC000793772418 1078307266 /nfs/dbraw/zinc/30/72/66/1078307266.db2.gz TYRCTDLENOIQCK-UHFFFAOYSA-N 1 1 401.555 2.655 20 0 HFADMO CCN(CCc1ccccn1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000793838611 1078310835 /nfs/dbraw/zinc/31/08/35/1078310835.db2.gz APUVYTGDTZXFSF-NRFANRHFSA-N 1 1 408.546 2.501 20 0 HFADMO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)no1 ZINC000793839419 1078311066 /nfs/dbraw/zinc/31/10/66/1078311066.db2.gz DQCWMKOMRBFXIC-CTNGQTDRSA-N 1 1 410.518 2.675 20 0 HFADMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1CCc2c(F)cccc2C1 ZINC000793844142 1078312523 /nfs/dbraw/zinc/31/25/23/1078312523.db2.gz WJBQMHJALBHTIN-LJQANCHMSA-N 1 1 409.505 2.739 20 0 HFADMO Cc1ccc([C@@H](C)NC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000793844472 1078312539 /nfs/dbraw/zinc/31/25/39/1078312539.db2.gz JZQZHMNHELPOQA-FUHWJXTLSA-N 1 1 414.575 2.561 20 0 HFADMO Cc1c[nH+]cn1C1CCN(C(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)CC1 ZINC000793848436 1078313926 /nfs/dbraw/zinc/31/39/26/1078313926.db2.gz GDDYBKXVXCLREZ-UHFFFAOYSA-N 1 1 422.938 2.717 20 0 HFADMO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCCN(c3ccc(C)cc3)CC2)c1 ZINC000793871112 1078329167 /nfs/dbraw/zinc/32/91/67/1078329167.db2.gz STEJCGDBFBAOBV-UHFFFAOYSA-N 1 1 422.573 2.802 20 0 HFADMO COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(n2c[nH+]cc2C)CC1 ZINC000793848706 1078323022 /nfs/dbraw/zinc/32/30/22/1078323022.db2.gz RBDXSDSRJAQARH-HXUWFJFHSA-N 1 1 414.506 2.687 20 0 HFADMO O=C(C[C@H](O)c1ccc(Cl)cc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000772838704 1078329571 /nfs/dbraw/zinc/32/95/71/1078329571.db2.gz UVSOYYICQDQJAX-NRSPTQNISA-N 1 1 402.922 2.763 20 0 HFADMO COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N[C@H](C)c2ccc(C)s2)CC1 ZINC000793868549 1078328183 /nfs/dbraw/zinc/32/81/83/1078328183.db2.gz SLNBXJGQSWNSMU-QGZVFWFLSA-N 1 1 409.596 2.831 20 0 HFADMO C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC[N@H+]1C ZINC000793868894 1078328660 /nfs/dbraw/zinc/32/86/60/1078328660.db2.gz GFICKWUFWPENJS-XLIONFOSSA-N 1 1 414.594 2.668 20 0 HFADMO C[C@@H](C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000793876060 1078332078 /nfs/dbraw/zinc/33/20/78/1078332078.db2.gz VFIVPPLONUFISO-RMJJICAUSA-N 1 1 419.566 2.802 20 0 HFADMO C[C@@H](C(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000793876060 1078332080 /nfs/dbraw/zinc/33/20/80/1078332080.db2.gz VFIVPPLONUFISO-RMJJICAUSA-N 1 1 419.566 2.802 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000793902264 1078333068 /nfs/dbraw/zinc/33/30/68/1078333068.db2.gz KCWMSKWARNZZLX-HOTGVXAUSA-N 1 1 416.526 2.788 20 0 HFADMO CC(C)(C)OC(=O)N1CCCc2cc(C(=O)NCC[N@H+]3CCCOCC3)ccc21 ZINC000793906107 1078334130 /nfs/dbraw/zinc/33/41/30/1078334130.db2.gz YDZNKCCWNSOXSD-UHFFFAOYSA-N 1 1 403.523 2.826 20 0 HFADMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)C1 ZINC000793908451 1078334478 /nfs/dbraw/zinc/33/44/78/1078334478.db2.gz IECLCTWABQQLHO-RXVVDRJESA-N 1 1 415.578 2.585 20 0 HFADMO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)CCC2 ZINC000793910379 1078335517 /nfs/dbraw/zinc/33/55/17/1078335517.db2.gz JRGJJQAPHXAYKP-AEFFLSMTSA-N 1 1 403.571 2.584 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000793930205 1078340905 /nfs/dbraw/zinc/34/09/05/1078340905.db2.gz JQHLGZKFRANIFO-NQIIRXRSSA-N 1 1 408.546 2.711 20 0 HFADMO Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]2CCCC[C@]2(C)NC(=O)OC(C)(C)C)CC1 ZINC000793952573 1078345614 /nfs/dbraw/zinc/34/56/14/1078345614.db2.gz PTQKGONKZJTGEB-JTSKRJEESA-N 1 1 419.570 2.979 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1 ZINC001170441066 1078345642 /nfs/dbraw/zinc/34/56/42/1078345642.db2.gz FXBAQQNKUTZRBO-NCYKPQTJSA-N 1 1 414.546 2.847 20 0 HFADMO CN(C(=O)C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000793952604 1078345688 /nfs/dbraw/zinc/34/56/88/1078345688.db2.gz SQZZUMDBFGKBRS-HLAWJBBLSA-N 1 1 420.642 2.582 20 0 HFADMO CN(C(=O)C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000793952604 1078345693 /nfs/dbraw/zinc/34/56/93/1078345693.db2.gz SQZZUMDBFGKBRS-HLAWJBBLSA-N 1 1 420.642 2.582 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000793965397 1078348550 /nfs/dbraw/zinc/34/85/50/1078348550.db2.gz GPVCITYGRMQUAB-BBRMVZONSA-N 1 1 416.526 2.598 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H]2COC[C@@H](CC(=O)NC3CCC3)[C@@H]2C1 ZINC001170442246 1078366226 /nfs/dbraw/zinc/36/62/26/1078366226.db2.gz KVJXJZCGLZYOLW-UKAVVXHISA-N 1 1 414.546 2.990 20 0 HFADMO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)N3CC[NH+](CCc4cccs4)CC3)[C@H]2C1 ZINC000794245143 1078391583 /nfs/dbraw/zinc/39/15/83/1078391583.db2.gz QDMKGUZDJIMOQG-PIIMJCKOSA-N 1 1 405.564 2.548 20 0 HFADMO C[N@H+](C[C@@H](O)CCNC(=O)OC(C)(C)C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000794375082 1078430054 /nfs/dbraw/zinc/43/00/54/1078430054.db2.gz HWJRVKKTIDBRJF-WMLDXEAASA-N 1 1 411.930 2.653 20 0 HFADMO C[N@@H+](C[C@@H](O)CCNC(=O)OC(C)(C)C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000794375082 1078430056 /nfs/dbraw/zinc/43/00/56/1078430056.db2.gz HWJRVKKTIDBRJF-WMLDXEAASA-N 1 1 411.930 2.653 20 0 HFADMO CC(C)C[N@H+]1CCO[C@H](COC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)C1 ZINC000794387193 1078433453 /nfs/dbraw/zinc/43/34/53/1078433453.db2.gz WOLQMHQQSKWWGL-ROUUACIJSA-N 1 1 408.926 2.589 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@H](O)C[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000794404279 1078436897 /nfs/dbraw/zinc/43/68/97/1078436897.db2.gz KBSMHZVCMGZTFX-HNNXBMFYSA-N 1 1 406.552 2.694 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000794404281 1078436937 /nfs/dbraw/zinc/43/69/37/1078436937.db2.gz KBSMHZVCMGZTFX-OAHLLOKOSA-N 1 1 406.552 2.694 20 0 HFADMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cc(Br)cnc3Br)C2)C1 ZINC001129404994 1078455416 /nfs/dbraw/zinc/45/54/16/1078455416.db2.gz QQQDGEWEIZJCDP-AWEZNQCLSA-N 1 1 403.118 2.774 20 0 HFADMO CCOC(=O)c1ccc2c(c1)nc(CN1CCC[C@H]([NH+]3CCOCC3)C1)n2CC ZINC001170450465 1078475218 /nfs/dbraw/zinc/47/52/18/1078475218.db2.gz CFOSUKRDABQPRD-SFHVURJKSA-N 1 1 400.523 2.530 20 0 HFADMO Cc1nn(C)cc1C1=NO[C@H](C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001129486375 1078506359 /nfs/dbraw/zinc/50/63/59/1078506359.db2.gz IWDNSTCATXEVMZ-UGKGYDQZSA-N 1 1 409.534 2.640 20 0 HFADMO CN1CC(=O)Nc2cc(C(=O)NC[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)cnc21 ZINC001129486842 1078507475 /nfs/dbraw/zinc/50/74/75/1078507475.db2.gz PRSOTCXNYWOHPR-GOSISDBHSA-N 1 1 407.518 2.502 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cn(Cc2ccccc2)nn1 ZINC001129814014 1078511874 /nfs/dbraw/zinc/51/18/74/1078511874.db2.gz XICPEQWLMAPCEQ-FYYLOGMGSA-N 1 1 419.529 2.593 20 0 HFADMO O=C([C@H](O)c1ccccc1Cl)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804447364 1078513837 /nfs/dbraw/zinc/51/38/37/1078513837.db2.gz CZKLVWSCESVXQV-DENIHFKCSA-N 1 1 413.949 2.792 20 0 HFADMO COc1c(C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)cnn1C ZINC001129823455 1078518337 /nfs/dbraw/zinc/51/83/37/1078518337.db2.gz KOKCYRSFXTWDGE-UHFFFAOYSA-N 1 1 407.312 2.586 20 0 HFADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC001170452419 1078520212 /nfs/dbraw/zinc/52/02/12/1078520212.db2.gz XRZAVKNYNHJRBN-NRFANRHFSA-N 1 1 411.550 2.614 20 0 HFADMO COc1ccc([C@@H]2[C@@H](C(=O)N3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC(=O)N2C)cc1 ZINC001129827568 1078521263 /nfs/dbraw/zinc/52/12/63/1078521263.db2.gz BADNUIIDHPATEQ-RVSNTGDXSA-N 1 1 421.541 2.948 20 0 HFADMO COc1ccc([C@@H]2[C@@H](C(=O)N3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC(=O)N2C)cc1 ZINC001129827568 1078521265 /nfs/dbraw/zinc/52/12/65/1078521265.db2.gz BADNUIIDHPATEQ-RVSNTGDXSA-N 1 1 421.541 2.948 20 0 HFADMO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000804524019 1078563377 /nfs/dbraw/zinc/56/33/77/1078563377.db2.gz HJRCYPAADCRIRB-IXDOHACOSA-N 1 1 417.554 2.833 20 0 HFADMO Cc1csc([C@H](C)NC(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000804500805 1078555161 /nfs/dbraw/zinc/55/51/61/1078555161.db2.gz QGQXTGKSHCPMPX-KKSFZXQISA-N 1 1 400.548 2.657 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)OC)C1 ZINC001170455340 1078556908 /nfs/dbraw/zinc/55/69/08/1078556908.db2.gz HXSXEIMAFYULLI-ZHRRBRCNSA-N 1 1 420.506 2.879 20 0 HFADMO COc1cccc2c1CC[C@@H]2NC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000804529202 1078566808 /nfs/dbraw/zinc/56/68/08/1078566808.db2.gz SKYMBMUHWDKBNX-SQJMNOBHSA-N 1 1 421.541 2.827 20 0 HFADMO CN(C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)C(C)(C)C[NH+]1CCOCC1 ZINC001129658752 1078620062 /nfs/dbraw/zinc/62/00/62/1078620062.db2.gz MZBPBXGTYINUKX-UHFFFAOYSA-N 1 1 406.914 2.892 20 0 HFADMO COCC(C)(C)[NH+]1CCN(C(=O)c2cc(C)cc(I)c2)CC1 ZINC001129928429 1078623147 /nfs/dbraw/zinc/62/31/47/1078623147.db2.gz BDIZJZZZKSNCCJ-UHFFFAOYSA-N 1 1 416.303 2.782 20 0 HFADMO COCC(C)(C)[NH+]1CCN(C(=O)c2ccc(I)c(F)c2)CC1 ZINC001129928517 1078623164 /nfs/dbraw/zinc/62/31/64/1078623164.db2.gz QNKVESAEJYSTAX-UHFFFAOYSA-N 1 1 420.266 2.613 20 0 HFADMO COc1cccc([C@@H](C)CCCC(=O)NCC2([NH+]3CCOCC3)CCOCC2)c1 ZINC001129669624 1078628860 /nfs/dbraw/zinc/62/88/60/1078628860.db2.gz KMNXKIMFDDPKEW-IBGZPJMESA-N 1 1 404.551 2.967 20 0 HFADMO COC[C@@]1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC000804786093 1078641715 /nfs/dbraw/zinc/64/17/15/1078641715.db2.gz BESMHTGAMKJJQD-GCJKJVERSA-N 1 1 409.571 2.926 20 0 HFADMO O=C(NC1CC[NH+](Cc2cccc(Br)c2)CC1)c1cnn2ccncc12 ZINC001129695215 1078654255 /nfs/dbraw/zinc/65/42/55/1078654255.db2.gz PSSDPAACLBCSJM-UHFFFAOYSA-N 1 1 414.307 2.886 20 0 HFADMO Cc1cccc(CS(=O)(=O)CCC(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC001129701777 1078660075 /nfs/dbraw/zinc/66/00/75/1078660075.db2.gz ZBEIPHMFLGFFTD-UHFFFAOYSA-N 1 1 408.589 2.952 20 0 HFADMO CC[C@H]1CN(c2ccc(C(C)=O)cc2S(N)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000804613596 1078661063 /nfs/dbraw/zinc/66/10/63/1078661063.db2.gz MTRUULMQPBDJAV-IBGZPJMESA-N 1 1 401.532 2.637 20 0 HFADMO CC[C@H]1CN(c2ccc(C(C)=O)cc2S(N)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000804613596 1078661066 /nfs/dbraw/zinc/66/10/66/1078661066.db2.gz MTRUULMQPBDJAV-IBGZPJMESA-N 1 1 401.532 2.637 20 0 HFADMO CCN1C(=O)C[C@H](C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@H]1c1cccnc1 ZINC001129703205 1078661537 /nfs/dbraw/zinc/66/15/37/1078661537.db2.gz DERJHWNPTQMIBX-AVCGJXAMSA-N 1 1 406.530 2.724 20 0 HFADMO CCN1C(=O)C[C@H](C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@H]1c1cccnc1 ZINC001129703205 1078661540 /nfs/dbraw/zinc/66/15/40/1078661540.db2.gz DERJHWNPTQMIBX-AVCGJXAMSA-N 1 1 406.530 2.724 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cnn(-c2ccncc2)c1 ZINC001129971218 1078665252 /nfs/dbraw/zinc/66/52/52/1078665252.db2.gz ZDFIYRUJCRMUDE-DENIHFKCSA-N 1 1 405.502 2.534 20 0 HFADMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CCNS(=O)(=O)/C=C\c1ccccc1 ZINC000747216355 1078665796 /nfs/dbraw/zinc/66/57/96/1078665796.db2.gz CIHIVDNPZCNLAG-VBKFSLOCSA-N 1 1 424.526 2.777 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000804831008 1078671834 /nfs/dbraw/zinc/67/18/34/1078671834.db2.gz CKLWIXHSQNCFDW-KNQAVFIVSA-N 1 1 422.573 2.786 20 0 HFADMO CCc1nc(N2CCCC[C@@H]2CNC(=O)CCNC(=O)OC(C)(C)C)cc(C)[nH+]1 ZINC000804622973 1078673281 /nfs/dbraw/zinc/67/32/81/1078673281.db2.gz KTRPCQUAVUUYPB-MRXNPFEDSA-N 1 1 405.543 2.737 20 0 HFADMO C[NH+](C)[C@@H](C(=O)N(CCN1CCOCC1)Cc1ccco1)c1ccc(Cl)cc1 ZINC001129736458 1078683583 /nfs/dbraw/zinc/68/35/83/1078683583.db2.gz MLRUHPFOQGGBLK-HXUWFJFHSA-N 1 1 405.926 2.897 20 0 HFADMO Cc1c(Cl)c(C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)sc1S(N)(=O)=O ZINC000804867859 1078691734 /nfs/dbraw/zinc/69/17/34/1078691734.db2.gz MWSWENVKFXYRPA-UHFFFAOYSA-N 1 1 419.956 2.544 20 0 HFADMO CCN(CCc1ccccn1)C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000804643988 1078698910 /nfs/dbraw/zinc/69/89/10/1078698910.db2.gz VLEYENLHMBLXPH-DENIHFKCSA-N 1 1 408.546 2.642 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000804643664 1078699520 /nfs/dbraw/zinc/69/95/20/1078699520.db2.gz NVPNGVOTYRBRJE-AEFFLSMTSA-N 1 1 414.937 2.829 20 0 HFADMO Cc1cccc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1S(C)(=O)=O ZINC001129759295 1078703503 /nfs/dbraw/zinc/70/35/03/1078703503.db2.gz IXKNUFAMJOUPEG-MSOLQXFVSA-N 1 1 418.563 2.585 20 0 HFADMO CC(C)[C@@H](C(=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000747218859 1078726303 /nfs/dbraw/zinc/72/63/03/1078726303.db2.gz RHPKJDVPZKFIHW-NONVJHHQSA-N 1 1 418.456 2.869 20 0 HFADMO CC(C)[C@@H](C(=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000747218859 1078726308 /nfs/dbraw/zinc/72/63/08/1078726308.db2.gz RHPKJDVPZKFIHW-NONVJHHQSA-N 1 1 418.456 2.869 20 0 HFADMO CC(C)[C@@H](C(=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000747218857 1078726360 /nfs/dbraw/zinc/72/63/60/1078726360.db2.gz RHPKJDVPZKFIHW-DTDBQYNISA-N 1 1 418.456 2.869 20 0 HFADMO CCc1ccc([C@@H](O)CNC(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000804914209 1078736154 /nfs/dbraw/zinc/73/61/54/1078736154.db2.gz ZFJPOKQXULRWHL-CVDCTZTESA-N 1 1 410.562 2.792 20 0 HFADMO C[C@@H](CNC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000804914257 1078736552 /nfs/dbraw/zinc/73/65/52/1078736552.db2.gz ZYUHEXARZWKMAA-QXKUPLGCSA-N 1 1 406.493 2.736 20 0 HFADMO CC(C)[C@H](CNC(=O)N1CCC[C@@H]1COC(=O)NC1CCCCC1)[NH+]1CCOCC1 ZINC000804902065 1078757954 /nfs/dbraw/zinc/75/79/54/1078757954.db2.gz SFSRRELUJJDYPI-UXHICEINSA-N 1 1 424.586 2.576 20 0 HFADMO Cc1nc(Cl)ccc1S(=O)(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000804947762 1078776128 /nfs/dbraw/zinc/77/61/28/1078776128.db2.gz FVTCHUWEKCHSGT-UHFFFAOYSA-N 1 1 408.955 2.534 20 0 HFADMO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000804927569 1078783940 /nfs/dbraw/zinc/78/39/40/1078783940.db2.gz HEBWIRGVMSYWNG-RTWAWAEBSA-N 1 1 417.550 2.793 20 0 HFADMO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000804927569 1078783942 /nfs/dbraw/zinc/78/39/42/1078783942.db2.gz HEBWIRGVMSYWNG-RTWAWAEBSA-N 1 1 417.550 2.793 20 0 HFADMO Cc1nc(S(=O)(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c(Br)n1C ZINC000804965535 1078802398 /nfs/dbraw/zinc/80/23/98/1078802398.db2.gz OMRILADCNOGPGW-TXEJJXNPSA-N 1 1 421.405 2.526 20 0 HFADMO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804970714 1078806136 /nfs/dbraw/zinc/80/61/36/1078806136.db2.gz SXNRMOFJQDQJIT-QFBILLFUSA-N 1 1 413.440 2.788 20 0 HFADMO CCC[N@@H+](C)[C@H](CNC(=O)NCCN1C(=O)CSC1=O)c1ccc(Cl)cc1 ZINC000805019728 1078830422 /nfs/dbraw/zinc/83/04/22/1078830422.db2.gz KCKTYQQBAJVDCZ-OAHLLOKOSA-N 1 1 412.943 2.718 20 0 HFADMO COC(=O)N1CCC(CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000805029194 1078842387 /nfs/dbraw/zinc/84/23/87/1078842387.db2.gz MKVJSBSVWZKTRC-KRWDZBQOSA-N 1 1 408.568 2.738 20 0 HFADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Cl)c(I)c1 ZINC000747229006 1078887776 /nfs/dbraw/zinc/88/77/76/1078887776.db2.gz IHDDTOHVGMWPDN-NEPJUHHUSA-N 1 1 420.678 2.538 20 0 HFADMO CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000805074727 1078906547 /nfs/dbraw/zinc/90/65/47/1078906547.db2.gz OIEOUVMXCSMGSF-WBVHZDCISA-N 1 1 401.429 2.632 20 0 HFADMO O=C(CCOc1ccc(Cl)cc1Br)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747229535 1078938213 /nfs/dbraw/zinc/93/82/13/1078938213.db2.gz KCCMKQCHMGOBDO-KGLIPLIRSA-N 1 1 417.731 2.851 20 0 HFADMO COC[C@@]1(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCCN1C(=O)OC(C)(C)C ZINC000805156642 1078950243 /nfs/dbraw/zinc/95/02/43/1078950243.db2.gz DCRXPKBBPTXKTN-UELCKLHCSA-N 1 1 424.586 2.717 20 0 HFADMO C[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)C1 ZINC000805184231 1078966097 /nfs/dbraw/zinc/96/60/97/1078966097.db2.gz LDPSLZRXUFWETQ-PKOBYXMFSA-N 1 1 402.539 2.914 20 0 HFADMO C[C@]1(CNC(=O)C(=O)NCCCc2cccc(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000805231284 1078975474 /nfs/dbraw/zinc/97/54/74/1078975474.db2.gz HBUFIMQRNGKIBG-XMMPIXPASA-N 1 1 411.521 2.903 20 0 HFADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)[C@H]2COc3ccccc3C2)CC1 ZINC000805246408 1078982661 /nfs/dbraw/zinc/98/26/61/1078982661.db2.gz XPAJVVLQJVPDNF-GHTZIAJQSA-N 1 1 408.498 2.686 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000747236219 1078994665 /nfs/dbraw/zinc/99/46/65/1078994665.db2.gz BPLCXPIEWYSPSL-MZEUMTGBSA-N 1 1 404.488 2.581 20 0 HFADMO CCCCCCn1nc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c2ccccc2c1=O ZINC000747236313 1078995264 /nfs/dbraw/zinc/99/52/64/1078995264.db2.gz LIUDQTLXFLOLJS-ZWKOTPCHSA-N 1 1 412.534 2.570 20 0 HFADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NCc1ccc(N2CCOC2=O)cc1 ZINC000805278002 1079005548 /nfs/dbraw/zinc/00/55/48/1079005548.db2.gz PIIJXHOCQQTGQL-UHFFFAOYSA-N 1 1 400.479 2.900 20 0 HFADMO Cc1ccc(N2CCN(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2=O)cc1 ZINC000805396715 1079038604 /nfs/dbraw/zinc/03/86/04/1079038604.db2.gz JQIMOPCSINIHLV-NRFANRHFSA-N 1 1 406.530 2.875 20 0 HFADMO CN1C(=O)N[C@](C)(c2ccc(NC(=O)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)C1=O ZINC001130225588 1079108733 /nfs/dbraw/zinc/10/87/33/1079108733.db2.gz BMCHQWGRULJLCA-UZUQRXQVSA-N 1 1 406.486 2.544 20 0 HFADMO C[C@@H](CNC(=O)CC(C)(C)NC(=O)OCc1ccccc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130260008 1079149659 /nfs/dbraw/zinc/14/96/59/1079149659.db2.gz RROHURIWKWZWPC-OKZBNKHCSA-N 1 1 405.539 2.695 20 0 HFADMO C[C@@H](CNC(=O)CC(C)(C)NC(=O)OCc1ccccc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130260008 1079149661 /nfs/dbraw/zinc/14/96/61/1079149661.db2.gz RROHURIWKWZWPC-OKZBNKHCSA-N 1 1 405.539 2.695 20 0 HFADMO Cn1ccnc1C[NH+]1CCC(C(=O)NCC[C@@H]2CSc3ccccc3O2)CC1 ZINC001130293087 1079180975 /nfs/dbraw/zinc/18/09/75/1079180975.db2.gz DEIJABHSEANRSV-QGZVFWFLSA-N 1 1 400.548 2.692 20 0 HFADMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001130301195 1079192718 /nfs/dbraw/zinc/19/27/18/1079192718.db2.gz IUORDHOGNKMVKI-LESCRADOSA-N 1 1 420.351 2.935 20 0 HFADMO O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001130302058 1079194303 /nfs/dbraw/zinc/19/43/03/1079194303.db2.gz VVANAWNHQFODQA-SFTDATJTSA-N 1 1 419.591 2.537 20 0 HFADMO CCOC(=O)C(C)(C)CC(=O)OCC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000805660119 1079207547 /nfs/dbraw/zinc/20/75/47/1079207547.db2.gz GZZOSCSUWQJQGO-UHFFFAOYSA-N 1 1 418.534 2.552 20 0 HFADMO CCC[N@H+](C)[C@@H](CNC(=O)N(CC)CCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000805753945 1079232003 /nfs/dbraw/zinc/23/20/03/1079232003.db2.gz UNZVISOCMFMSDY-KRWDZBQOSA-N 1 1 403.976 2.799 20 0 HFADMO CCC[N@@H+](C)[C@@H](CNC(=O)N(CC)CCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000805753945 1079232009 /nfs/dbraw/zinc/23/20/09/1079232009.db2.gz UNZVISOCMFMSDY-KRWDZBQOSA-N 1 1 403.976 2.799 20 0 HFADMO COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000747266170 1079235343 /nfs/dbraw/zinc/23/53/43/1079235343.db2.gz HDSRMCJOTKXMPM-IFCKCIONSA-N 1 1 402.516 2.672 20 0 HFADMO Cc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)C[C@H](O)CC(C)(C)C)CC2)cc1 ZINC000805729922 1079238570 /nfs/dbraw/zinc/23/85/70/1079238570.db2.gz WIJCAXBOFDAMCO-FQEVSTJZSA-N 1 1 404.551 2.760 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@@H+]([C@@H]1CCN(CC(F)(F)F)C1=O)C2 ZINC000805794384 1079259299 /nfs/dbraw/zinc/25/92/99/1079259299.db2.gz SSOXMAGJPIECFR-RDTXWAMCSA-N 1 1 405.461 2.873 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+]([C@@H]1CCN(CC(F)(F)F)C1=O)C2 ZINC000805794384 1079259304 /nfs/dbraw/zinc/25/93/04/1079259304.db2.gz SSOXMAGJPIECFR-RDTXWAMCSA-N 1 1 405.461 2.873 20 0 HFADMO Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2=O)n(C)n1 ZINC000805795295 1079259686 /nfs/dbraw/zinc/25/96/86/1079259686.db2.gz KRTAGNAEMVQPKB-JTSKRJEESA-N 1 1 417.554 2.557 20 0 HFADMO Cc1cc(N2CC[C@H]([N@H+]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2=O)n(C)n1 ZINC000805795295 1079259692 /nfs/dbraw/zinc/25/96/92/1079259692.db2.gz KRTAGNAEMVQPKB-JTSKRJEESA-N 1 1 417.554 2.557 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1CC(=O)NC(=O)NC1CCCCC1 ZINC000805764341 1079265099 /nfs/dbraw/zinc/26/50/99/1079265099.db2.gz CKJTUPGDMNFSAC-QGZVFWFLSA-N 1 1 410.559 2.914 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1CCc1nnnn1-c1ccccc1 ZINC000805762727 1079263642 /nfs/dbraw/zinc/26/36/42/1079263642.db2.gz DWIGFAIJFSGYDY-KRWDZBQOSA-N 1 1 400.527 2.974 20 0 HFADMO CCOc1ccc(CN(C)C(=O)C[N@@H+]2CCCC[C@H]2COC(=O)N(C)CC)cc1 ZINC000805762339 1079263733 /nfs/dbraw/zinc/26/37/33/1079263733.db2.gz QCWVKJJBRFGYOA-IBGZPJMESA-N 1 1 405.539 2.987 20 0 HFADMO CCOc1ccc(CN(C)C(=O)C[N@H+]2CCCC[C@H]2COC(=O)N(C)CC)cc1 ZINC000805762339 1079263738 /nfs/dbraw/zinc/26/37/38/1079263738.db2.gz QCWVKJJBRFGYOA-IBGZPJMESA-N 1 1 405.539 2.987 20 0 HFADMO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000805761896 1079264031 /nfs/dbraw/zinc/26/40/31/1079264031.db2.gz KWXCIIQFCVJMGU-MRXNPFEDSA-N 1 1 413.465 2.847 20 0 HFADMO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000805761896 1079264033 /nfs/dbraw/zinc/26/40/33/1079264033.db2.gz KWXCIIQFCVJMGU-MRXNPFEDSA-N 1 1 413.465 2.847 20 0 HFADMO C[C@@H]1[C@H](C)N(C(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)[C@@H](C)C[N@H+]1C ZINC001130371004 1079271303 /nfs/dbraw/zinc/27/13/03/1079271303.db2.gz YUXGAJMIEFFNBR-IVSAIRAKSA-N 1 1 411.468 2.993 20 0 HFADMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC(=O)NCCCN(C)c1ccccc1 ZINC000805797298 1079279922 /nfs/dbraw/zinc/27/99/22/1079279922.db2.gz JAUBOBBSWUYRJE-HKUYNNGSSA-N 1 1 404.555 2.617 20 0 HFADMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC(=O)NCCCN(C)c1ccccc1 ZINC000805797298 1079279928 /nfs/dbraw/zinc/27/99/28/1079279928.db2.gz JAUBOBBSWUYRJE-HKUYNNGSSA-N 1 1 404.555 2.617 20 0 HFADMO CCOC(=O)Nc1ccc2c(C[N@H+]3CC[C@H](C(=O)N4CCCC4)C3)cc(=O)oc2c1 ZINC000805811192 1079286088 /nfs/dbraw/zinc/28/60/88/1079286088.db2.gz MMEDSJFQSWEDPB-HNNXBMFYSA-N 1 1 413.474 2.806 20 0 HFADMO CNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000805826403 1079296605 /nfs/dbraw/zinc/29/66/05/1079296605.db2.gz YSGKMPPKPKUZJB-GOSISDBHSA-N 1 1 410.518 2.994 20 0 HFADMO CNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000805826403 1079296610 /nfs/dbraw/zinc/29/66/10/1079296610.db2.gz YSGKMPPKPKUZJB-GOSISDBHSA-N 1 1 410.518 2.994 20 0 HFADMO Cc1c(C(=O)N(CCC(=O)OC(C)(C)C)C2CCOCC2)cnn1-c1cc[nH+]cc1 ZINC001130406706 1079307754 /nfs/dbraw/zinc/30/77/54/1079307754.db2.gz QNDWMVHSKDSDFT-UHFFFAOYSA-N 1 1 414.506 2.929 20 0 HFADMO CCN1C[C@H](C[N@H+]2CC[C@H](Cc3cccc(I)c3)C2)OC1=O ZINC001170490742 1079317929 /nfs/dbraw/zinc/31/79/29/1079317929.db2.gz ODVSBBAECZVYOU-ZBFHGGJFSA-N 1 1 414.287 2.996 20 0 HFADMO COCC[N@@H+]1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2Br)C(C)(C)C1 ZINC001130417396 1079335693 /nfs/dbraw/zinc/33/56/93/1079335693.db2.gz NQTJXKWOLMWKOJ-CYBMUJFWSA-N 1 1 417.319 2.925 20 0 HFADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NS(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000747275640 1079329808 /nfs/dbraw/zinc/32/98/08/1079329808.db2.gz BEMILBQHHDNEQT-QIPHDZALSA-N 1 1 403.523 2.927 20 0 HFADMO COCC[N@H+]1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2Br)C(C)(C)C1 ZINC001130417396 1079335699 /nfs/dbraw/zinc/33/56/99/1079335699.db2.gz NQTJXKWOLMWKOJ-CYBMUJFWSA-N 1 1 417.319 2.925 20 0 HFADMO COCC[N@@H+]1CCN(C(=O)c2cccc(C(=O)N(C)CC(C)(C)C)c2)C(C)(C)C1 ZINC001130420378 1079340237 /nfs/dbraw/zinc/34/02/37/1079340237.db2.gz ASPAZOQAJMHIJT-UHFFFAOYSA-N 1 1 403.567 2.988 20 0 HFADMO COCC[N@H+]1CCN(C(=O)c2cccc(C(=O)N(C)CC(C)(C)C)c2)C(C)(C)C1 ZINC001130420378 1079340242 /nfs/dbraw/zinc/34/02/42/1079340242.db2.gz ASPAZOQAJMHIJT-UHFFFAOYSA-N 1 1 403.567 2.988 20 0 HFADMO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)CCC2 ZINC000805942334 1079345176 /nfs/dbraw/zinc/34/51/76/1079345176.db2.gz IWAKHSYBJCGOCA-RDTXWAMCSA-N 1 1 400.548 2.582 20 0 HFADMO C[C@@H](CCNS(=O)(=O)c1ccc2oc(=O)ccc2c1)[N@@H+](C)Cc1ccccc1 ZINC000747281768 1079352233 /nfs/dbraw/zinc/35/22/33/1079352233.db2.gz ICNYYENQQBZOAT-INIZCTEOSA-N 1 1 400.500 2.982 20 0 HFADMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(N2CCOC2=O)cc1)c1ccc(Cl)cc1 ZINC000747284787 1079359484 /nfs/dbraw/zinc/35/94/84/1079359484.db2.gz VEVKWWQKIIUNBC-GOSISDBHSA-N 1 1 423.922 2.878 20 0 HFADMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCCS(=O)(=O)N1CCCC1 ZINC001130458277 1079381766 /nfs/dbraw/zinc/38/17/66/1079381766.db2.gz KBRKYVWBKXSASK-XUVXKRRUSA-N 1 1 421.607 2.702 20 0 HFADMO COC(=O)/C=C\c1ccc(S(=O)(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cc1 ZINC000747284153 1079384167 /nfs/dbraw/zinc/38/41/67/1079384167.db2.gz XHUGPYUKDRGXLB-KTZABMDBSA-N 1 1 414.527 2.768 20 0 HFADMO C[C@@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130472590 1079399153 /nfs/dbraw/zinc/39/91/53/1079399153.db2.gz WGXYYNUWJHBWHI-GNBUJSLZSA-N 1 1 419.566 2.736 20 0 HFADMO C[C@@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130472590 1079399159 /nfs/dbraw/zinc/39/91/59/1079399159.db2.gz WGXYYNUWJHBWHI-GNBUJSLZSA-N 1 1 419.566 2.736 20 0 HFADMO C[NH+](C)[C@H](CNC(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1)c1ccco1 ZINC000747300569 1079416988 /nfs/dbraw/zinc/41/69/88/1079416988.db2.gz ZZQCGIFSRXYIEY-CABCVRRESA-N 1 1 401.385 2.814 20 0 HFADMO CC(C)C[N@@H+](C)CCCNC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC001130523491 1079458599 /nfs/dbraw/zinc/45/85/99/1079458599.db2.gz CFRNQVAJBXLSIJ-UHFFFAOYSA-N 1 1 423.348 2.699 20 0 HFADMO CC(C)n1cc([C@H](C)NC(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000806158343 1079471739 /nfs/dbraw/zinc/47/17/39/1079471739.db2.gz XYDDOUMKQZAFBM-FDDCHVKYSA-N 1 1 411.550 2.670 20 0 HFADMO CN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000787332495 1076745264 /nfs/dbraw/zinc/74/52/64/1076745264.db2.gz VVFWBZULSAPZJV-NSHDSACASA-N 1 1 419.461 2.642 20 0 HFADMO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@@H+]2CCC[C@H](CC(N)=O)C2)c1 ZINC000746676100 1076749454 /nfs/dbraw/zinc/74/94/54/1076749454.db2.gz SALMXYPCWCTTNG-QGZVFWFLSA-N 1 1 408.502 2.773 20 0 HFADMO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@H+]2CCC[C@H](CC(N)=O)C2)c1 ZINC000746676100 1076749459 /nfs/dbraw/zinc/74/94/59/1076749459.db2.gz SALMXYPCWCTTNG-QGZVFWFLSA-N 1 1 408.502 2.773 20 0 HFADMO CCOCCC[N@H+]1CC[C@H](NCc2cc(=O)oc3cc(NC(C)=O)ccc23)[C@H](C)C1 ZINC000787301663 1076749519 /nfs/dbraw/zinc/74/95/19/1076749519.db2.gz CBIXICIIMRNXTL-IERDGZPVSA-N 1 1 415.534 2.978 20 0 HFADMO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787316685 1076760200 /nfs/dbraw/zinc/76/02/00/1076760200.db2.gz JWTFXVHWTBYBRJ-HOTGVXAUSA-N 1 1 405.543 2.690 20 0 HFADMO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787316687 1076760239 /nfs/dbraw/zinc/76/02/39/1076760239.db2.gz JWTFXVHWTBYBRJ-HZPDHXFCSA-N 1 1 405.543 2.690 20 0 HFADMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787347022 1076788283 /nfs/dbraw/zinc/78/82/83/1076788283.db2.gz RYPRBDSIJFBROL-CVEARBPZSA-N 1 1 405.543 2.738 20 0 HFADMO COc1cc(OC)cc([C@H](O)CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)c1 ZINC000787433061 1076802945 /nfs/dbraw/zinc/80/29/45/1076802945.db2.gz WSYVFITWNLBIQF-QGZVFWFLSA-N 1 1 418.400 2.686 20 0 HFADMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787388777 1076804803 /nfs/dbraw/zinc/80/48/03/1076804803.db2.gz ZBMOKNBBCHGPTP-RVKKMQEKSA-N 1 1 405.543 2.546 20 0 HFADMO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787388777 1076804806 /nfs/dbraw/zinc/80/48/06/1076804806.db2.gz ZBMOKNBBCHGPTP-RVKKMQEKSA-N 1 1 405.543 2.546 20 0 HFADMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787388777 1076804811 /nfs/dbraw/zinc/80/48/11/1076804811.db2.gz ZBMOKNBBCHGPTP-RVKKMQEKSA-N 1 1 405.543 2.546 20 0 HFADMO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787393012 1076806152 /nfs/dbraw/zinc/80/61/52/1076806152.db2.gz FSKHECOXIGVGPI-JKSUJKDBSA-N 1 1 405.543 2.690 20 0 HFADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787393190 1076806396 /nfs/dbraw/zinc/80/63/96/1076806396.db2.gz GUXYVPXYHCASNF-HZPDHXFCSA-N 1 1 405.543 2.548 20 0 HFADMO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787393190 1076806401 /nfs/dbraw/zinc/80/64/01/1076806401.db2.gz GUXYVPXYHCASNF-HZPDHXFCSA-N 1 1 405.543 2.548 20 0 HFADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787393190 1076806405 /nfs/dbraw/zinc/80/64/05/1076806405.db2.gz GUXYVPXYHCASNF-HZPDHXFCSA-N 1 1 405.543 2.548 20 0 HFADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787393195 1076806474 /nfs/dbraw/zinc/80/64/74/1076806474.db2.gz GUXYVPXYHCASNF-JKSUJKDBSA-N 1 1 405.543 2.548 20 0 HFADMO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787393195 1076806478 /nfs/dbraw/zinc/80/64/78/1076806478.db2.gz GUXYVPXYHCASNF-JKSUJKDBSA-N 1 1 405.543 2.548 20 0 HFADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787393195 1076806486 /nfs/dbraw/zinc/80/64/86/1076806486.db2.gz GUXYVPXYHCASNF-JKSUJKDBSA-N 1 1 405.543 2.548 20 0 HFADMO O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000746681067 1076813952 /nfs/dbraw/zinc/81/39/52/1076813952.db2.gz IZRMZEMXRLEIST-UHFFFAOYSA-N 1 1 408.527 2.597 20 0 HFADMO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000746687824 1076836663 /nfs/dbraw/zinc/83/66/63/1076836663.db2.gz KSQHADINBGFODS-WBVHZDCISA-N 1 1 408.527 2.637 20 0 HFADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000746687824 1076836666 /nfs/dbraw/zinc/83/66/66/1076836666.db2.gz KSQHADINBGFODS-WBVHZDCISA-N 1 1 408.527 2.637 20 0 HFADMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000746687823 1076836685 /nfs/dbraw/zinc/83/66/85/1076836685.db2.gz KSQHADINBGFODS-RDJZCZTQSA-N 1 1 408.527 2.637 20 0 HFADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000746687823 1076836692 /nfs/dbraw/zinc/83/66/92/1076836692.db2.gz KSQHADINBGFODS-RDJZCZTQSA-N 1 1 408.527 2.637 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cn1 ZINC000787477542 1076837721 /nfs/dbraw/zinc/83/77/21/1076837721.db2.gz KCAHBKXLWSJURF-FQEVSTJZSA-N 1 1 421.476 2.565 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H]2CC(C)(C)c3ccccc32)cn1 ZINC000787480096 1076838531 /nfs/dbraw/zinc/83/85/31/1076838531.db2.gz BTCXQQGORLLQLA-IBGZPJMESA-N 1 1 403.486 2.731 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC(c3cccc(F)c3)CC2)cn1 ZINC000787482916 1076841029 /nfs/dbraw/zinc/84/10/29/1076841029.db2.gz AYDQMWKBKBIUDE-UHFFFAOYSA-N 1 1 421.476 2.737 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC(Cc3ccccc3)CC2)cn1 ZINC000787484004 1076841531 /nfs/dbraw/zinc/84/15/31/1076841531.db2.gz IIEKRKQHYDJIJW-UHFFFAOYSA-N 1 1 417.513 2.673 20 0 HFADMO COc1ccc([C@H]2CCCN2C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000787484015 1076841655 /nfs/dbraw/zinc/84/16/55/1076841655.db2.gz IPCCILKDBCKALG-HXUWFJFHSA-N 1 1 419.485 2.564 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H]2c3ccccc3CC[C@@H]2C)cn1 ZINC000787484686 1076842765 /nfs/dbraw/zinc/84/27/65/1076842765.db2.gz FTIRZUKRVBOAKS-BTYIYWSLSA-N 1 1 403.486 2.632 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[C@@H](c3ccc(C)cc3)C2)cn1 ZINC000787486423 1076844474 /nfs/dbraw/zinc/84/44/74/1076844474.db2.gz RADASXNFMSGHEZ-HXUWFJFHSA-N 1 1 403.486 2.516 20 0 HFADMO O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000746688284 1076854352 /nfs/dbraw/zinc/85/43/52/1076854352.db2.gz TVVLTAHJJCIXOP-UHFFFAOYSA-N 1 1 414.575 2.846 20 0 HFADMO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Cn3c(=O)c4ccccc4[nH]c3=S)C2)CC1 ZINC000746688660 1076858098 /nfs/dbraw/zinc/85/80/98/1076858098.db2.gz JHXCURSGVKOQHJ-KRWDZBQOSA-N 1 1 414.575 2.656 20 0 HFADMO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787563662 1076866032 /nfs/dbraw/zinc/86/60/32/1076866032.db2.gz QVDHIBYFKNLEKP-OAHLLOKOSA-N 1 1 405.543 2.690 20 0 HFADMO COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](SC)C1)[NH+]1CCCCC1 ZINC000787584297 1076873631 /nfs/dbraw/zinc/87/36/31/1076873631.db2.gz IAPODQSRNVMLIW-AOIWGVFYSA-N 1 1 419.591 2.739 20 0 HFADMO Cc1ccc(C2=CCN(C(=O)C(=O)NCC[N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000787621758 1076881777 /nfs/dbraw/zinc/88/17/77/1076881777.db2.gz IAUVNHOYTMBBNO-UHFFFAOYSA-N 1 1 403.526 2.785 20 0 HFADMO Cc1ccc(C2=CCN(C(=O)C(=O)NCC[N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000787621758 1076881785 /nfs/dbraw/zinc/88/17/85/1076881785.db2.gz IAUVNHOYTMBBNO-UHFFFAOYSA-N 1 1 403.526 2.785 20 0 HFADMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000787664389 1076903511 /nfs/dbraw/zinc/90/35/11/1076903511.db2.gz HTYHAEASZPCLBZ-HSZRJFAPSA-N 1 1 405.542 2.554 20 0 HFADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000787671575 1076906625 /nfs/dbraw/zinc/90/66/25/1076906625.db2.gz LYRWWMHIINYPQF-ZWKOTPCHSA-N 1 1 409.571 2.735 20 0 HFADMO CC(C)c1ccc(N2CC[C@@H](C(=O)N3CC[N@H+](C4CCOCC4)C[C@H]3C)C2=O)cc1 ZINC000787679419 1076908408 /nfs/dbraw/zinc/90/84/08/1076908408.db2.gz QLBAUVDYJNNPLY-GCJKJVERSA-N 1 1 413.562 2.875 20 0 HFADMO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@H]1C[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC000787680040 1076908976 /nfs/dbraw/zinc/90/89/76/1076908976.db2.gz ZZQXBWLAUVFXKA-YQVWRLOYSA-N 1 1 409.571 2.734 20 0 HFADMO CC(C)(C)OC(=O)NCCOCC[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000787705946 1076919517 /nfs/dbraw/zinc/91/95/17/1076919517.db2.gz MHMQWAVAIMHBNJ-QGZVFWFLSA-N 1 1 407.559 2.725 20 0 HFADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)N1CCC(c2ccccc2)CC1 ZINC000787707347 1076919818 /nfs/dbraw/zinc/91/98/18/1076919818.db2.gz DFUDTFBEPVVDME-UHFFFAOYSA-N 1 1 405.542 2.957 20 0 HFADMO C[C@@H]1C[N@@H+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CCN1C(=O)OC(C)(C)C ZINC000787727822 1076932648 /nfs/dbraw/zinc/93/26/48/1076932648.db2.gz DEKAXDHVEBXEPD-XFQAVAEZSA-N 1 1 413.559 2.688 20 0 HFADMO C[C@@H]1C[N@H+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CCN1C(=O)OC(C)(C)C ZINC000787727822 1076932649 /nfs/dbraw/zinc/93/26/49/1076932649.db2.gz DEKAXDHVEBXEPD-XFQAVAEZSA-N 1 1 413.559 2.688 20 0 HFADMO CC[C@H](CNC(=O)C(=O)Nc1cc(C)cnc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000787877219 1076972434 /nfs/dbraw/zinc/97/24/34/1076972434.db2.gz OQQFQOWWNUTHIM-QGZVFWFLSA-N 1 1 400.910 2.935 20 0 HFADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000787903849 1076989013 /nfs/dbraw/zinc/98/90/13/1076989013.db2.gz OIMZKKJQCZCIJY-IBGZPJMESA-N 1 1 423.561 2.528 20 0 HFADMO Cc1ccc(N2CCN(C(=O)C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)CC2)cc1C ZINC000787905669 1076989210 /nfs/dbraw/zinc/98/92/10/1076989210.db2.gz ZALUYIORVHUBAW-OAQYLSRUSA-N 1 1 414.594 2.723 20 0 HFADMO Cc1ccc(N2CCN(C(=O)C(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)CC2)cc1C ZINC000787909709 1076991773 /nfs/dbraw/zinc/99/17/73/1076991773.db2.gz MLWDOBPVRUITIX-IBGZPJMESA-N 1 1 414.594 2.580 20 0 HFADMO Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)C2)cc1 ZINC000787913044 1076993249 /nfs/dbraw/zinc/99/32/49/1076993249.db2.gz UXRUQPUEZJIKLE-NHCUHLMSSA-N 1 1 414.594 2.708 20 0 HFADMO O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)NOCc1cccnc1 ZINC000746715950 1077003487 /nfs/dbraw/zinc/00/34/87/1077003487.db2.gz HIOIZAHGAFSXLJ-UHFFFAOYSA-N 1 1 403.914 2.678 20 0 HFADMO C[C@H](Cc1ccco1)NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000787962448 1077010294 /nfs/dbraw/zinc/01/02/94/1077010294.db2.gz PAVOOHREDLPLOU-NTKDMRAZSA-N 1 1 409.530 2.842 20 0 HFADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2cccc(Cl)c2-n2cccn2)CC1 ZINC000746718329 1077012438 /nfs/dbraw/zinc/01/24/38/1077012438.db2.gz ROGVLMSTAGJTAP-AWEZNQCLSA-N 1 1 405.886 2.627 20 0 HFADMO COC(=O)c1ccc(Cl)c(C[NH+]2CCC(CO)(NC(=O)OC(C)(C)C)CC2)c1 ZINC000788004909 1077026717 /nfs/dbraw/zinc/02/67/17/1077026717.db2.gz RFBADOAXOBDXCY-UHFFFAOYSA-N 1 1 412.914 2.978 20 0 HFADMO C[N@@H+](CCN1CCN(C(=O)CC2CCC3(CC2)OCCO3)CC1)Cc1ccccc1 ZINC000788090629 1077055748 /nfs/dbraw/zinc/05/57/48/1077055748.db2.gz MBNBIRIYUHUTKJ-UHFFFAOYSA-N 1 1 415.578 2.586 20 0 HFADMO O=C(NOC[C@H]1CCOC1)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000788120493 1077059090 /nfs/dbraw/zinc/05/90/90/1077059090.db2.gz VMGBJMCQTVQXNW-INIZCTEOSA-N 1 1 400.479 2.573 20 0 HFADMO CN1CC[NH+](CCOc2ccc(NC(=O)CC3CCC4(CC3)OCCO4)cc2)CC1 ZINC000788227376 1077083445 /nfs/dbraw/zinc/08/34/45/1077083445.db2.gz FKCYMDXDPOLMRG-UHFFFAOYSA-N 1 1 417.550 2.575 20 0 HFADMO CC(C)(C)SCCNC(=O)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000788378868 1077134659 /nfs/dbraw/zinc/13/46/59/1077134659.db2.gz HUCNZASFDVFVAU-UHFFFAOYSA-N 1 1 413.628 2.564 20 0 HFADMO C[C@H](C[NH+]1CCOCC1)N(C)Cn1nc(-c2ccco2)n(Cc2ccco2)c1=S ZINC000788379696 1077135331 /nfs/dbraw/zinc/13/53/31/1077135331.db2.gz ZCDHPSXPUGTHJN-MRXNPFEDSA-N 1 1 417.535 2.925 20 0 HFADMO O=C1C[C@]2(CC[N@@H+](Cn3ccn(-c4ccc(Br)cc4)c3=S)C2)CN1 ZINC000788384625 1077138561 /nfs/dbraw/zinc/13/85/61/1077138561.db2.gz UWFXYYRISBOSBW-QGZVFWFLSA-N 1 1 407.337 2.940 20 0 HFADMO O=C1C[C@]2(CC[N@H+](Cn3ccn(-c4ccc(Br)cc4)c3=S)C2)CN1 ZINC000788384625 1077138566 /nfs/dbraw/zinc/13/85/66/1077138566.db2.gz UWFXYYRISBOSBW-QGZVFWFLSA-N 1 1 407.337 2.940 20 0 HFADMO O[C@H](c1ncc[nH]1)C1CC[NH+](Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000788472338 1077170683 /nfs/dbraw/zinc/17/06/83/1077170683.db2.gz BSNQGSBQOSLVNU-KRWDZBQOSA-N 1 1 408.296 2.889 20 0 HFADMO COc1ccc([C@H](NC(=O)C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)C(C)C)cc1 ZINC000788473277 1077170990 /nfs/dbraw/zinc/17/09/90/1077170990.db2.gz UVRGDSCZOLKOKI-NHCUHLMSSA-N 1 1 400.523 2.677 20 0 HFADMO COc1cc(C(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)cnc1Br ZINC000788513257 1077187293 /nfs/dbraw/zinc/18/72/93/1077187293.db2.gz YPYCTGPMUUMJKD-ZDUSSCGKSA-N 1 1 412.328 2.616 20 0 HFADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)NCCSC(F)(F)F)CC1 ZINC000788518761 1077189400 /nfs/dbraw/zinc/18/94/00/1077189400.db2.gz KTHPATSCDZJYKN-UHFFFAOYSA-N 1 1 417.497 2.726 20 0 HFADMO C[C@@H]1C[N@H+](CCCNC(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000746747693 1077190953 /nfs/dbraw/zinc/19/09/53/1077190953.db2.gz SRDQOYQZFWIYTN-CALCHBBNSA-N 1 1 412.575 2.527 20 0 HFADMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000788564578 1077200228 /nfs/dbraw/zinc/20/02/28/1077200228.db2.gz SRLRRRDEGXLZLO-CGTJXYLNSA-N 1 1 409.452 2.764 20 0 HFADMO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](CC2(O)CCC(c3ccccc3)CC2)CC1 ZINC001170085872 1077205381 /nfs/dbraw/zinc/20/53/81/1077205381.db2.gz MYONXHSKSPUVDX-UHFFFAOYSA-N 1 1 423.575 2.518 20 0 HFADMO C[C@H](Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)c1cc(Br)ncc1F ZINC000788610180 1077206876 /nfs/dbraw/zinc/20/68/76/1077206876.db2.gz RYJCBUSQDZHCSU-NSHDSACASA-N 1 1 407.287 3.000 20 0 HFADMO C[C@H](Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)c1cc(Br)ncc1F ZINC000788610180 1077206877 /nfs/dbraw/zinc/20/68/77/1077206877.db2.gz RYJCBUSQDZHCSU-NSHDSACASA-N 1 1 407.287 3.000 20 0 HFADMO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000788611021 1077207220 /nfs/dbraw/zinc/20/72/20/1077207220.db2.gz WUGZHGGFLQWFQX-QFBILLFUSA-N 1 1 402.539 2.635 20 0 HFADMO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000788611021 1077207223 /nfs/dbraw/zinc/20/72/23/1077207223.db2.gz WUGZHGGFLQWFQX-QFBILLFUSA-N 1 1 402.539 2.635 20 0 HFADMO C[C@@H]([NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1nc(Br)ccc1F ZINC000788585860 1077213264 /nfs/dbraw/zinc/21/32/64/1077213264.db2.gz XAWZZHIXLXGDMF-MGNBDDOMSA-N 1 1 421.270 2.889 20 0 HFADMO COC(=O)c1sc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(C)c1Cl ZINC000788653179 1077226712 /nfs/dbraw/zinc/22/67/12/1077226712.db2.gz QHEGBIXOPHOVIF-NWDGAFQWSA-N 1 1 406.957 2.601 20 0 HFADMO C[NH+](C)[C@@H](CNC(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1Cl ZINC000788619882 1077231243 /nfs/dbraw/zinc/23/12/43/1077231243.db2.gz WMAXTPNYNLOOOC-GUYCJALGSA-N 1 1 424.929 2.729 20 0 HFADMO COC(=O)c1sc(S(=O)(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(C)c1Cl ZINC000788641537 1077244450 /nfs/dbraw/zinc/24/44/50/1077244450.db2.gz QTIPFGDUDBHQKV-ZDUSSCGKSA-N 1 1 420.984 2.849 20 0 HFADMO Cc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)c3cccc4c[nH]nc43)CC2)cc1 ZINC000746951321 1077260501 /nfs/dbraw/zinc/26/05/01/1077260501.db2.gz PUAVUSFCXVUYDG-UHFFFAOYSA-N 1 1 406.486 2.763 20 0 HFADMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cccc(NN4C(=O)[C@@H]5CC=CC[C@H]5C4=O)c3)CC[C@H]21 ZINC000788668624 1077261309 /nfs/dbraw/zinc/26/13/09/1077261309.db2.gz QHLBQTJITMAYDC-CWJKEVGVSA-N 1 1 422.529 2.521 20 0 HFADMO CCOC(=O)[C@H]1[C@H]([NH2+]Cc2nn(C)c3ccccc23)CCN1C(=O)OC(C)(C)C ZINC000788753012 1077276742 /nfs/dbraw/zinc/27/67/42/1077276742.db2.gz YREXCBFEQARJMG-CRAIPNDOSA-N 1 1 402.495 2.604 20 0 HFADMO Cc1ccc(NC(=O)C2CC[NH+](CN3C(=O)C[C@@H](Cc4ccccc4)C3=O)CC2)nc1 ZINC000788771495 1077283679 /nfs/dbraw/zinc/28/36/79/1077283679.db2.gz LLCMZLLNYDZQKM-HXUWFJFHSA-N 1 1 420.513 2.616 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788748201 1077289018 /nfs/dbraw/zinc/28/90/18/1077289018.db2.gz JQBCZFIDSAYHOW-FQEVSTJZSA-N 1 1 418.501 2.518 20 0 HFADMO O=C(NC1CCCCC1)C1CC[NH+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)CC1 ZINC000788773206 1077296067 /nfs/dbraw/zinc/29/60/67/1077296067.db2.gz SZFBEBXYYARTIE-HXUWFJFHSA-N 1 1 411.546 2.723 20 0 HFADMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000788775470 1077297549 /nfs/dbraw/zinc/29/75/49/1077297549.db2.gz LBIRQRPDDBTWEZ-GDBMZVCRSA-N 1 1 409.452 2.622 20 0 HFADMO CN(C[C@@H]1CC[N@H+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)C1)C(=O)OC(C)(C)C ZINC000788774612 1077297777 /nfs/dbraw/zinc/29/77/77/1077297777.db2.gz XIMUMJBNWXHJJH-OALUTQOASA-N 1 1 415.534 2.751 20 0 HFADMO CN(C[C@@H]1CC[N@@H+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)C1)C(=O)OC(C)(C)C ZINC000788774612 1077297783 /nfs/dbraw/zinc/29/77/83/1077297783.db2.gz XIMUMJBNWXHJJH-OALUTQOASA-N 1 1 415.534 2.751 20 0 HFADMO CCOC(=O)[C@H]1[C@@H]([NH2+]CCc2ccc3cn[nH]c3c2)CCN1C(=O)OC(C)(C)C ZINC000788814695 1077306309 /nfs/dbraw/zinc/30/63/09/1077306309.db2.gz AAZRYQOXVVHLHV-FUHWJXTLSA-N 1 1 402.495 2.636 20 0 HFADMO CN(C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788820387 1077308230 /nfs/dbraw/zinc/30/82/30/1077308230.db2.gz OAHVDYSOJHNKKP-BDTNDASRSA-N 1 1 406.530 2.874 20 0 HFADMO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000788830697 1077313457 /nfs/dbraw/zinc/31/34/57/1077313457.db2.gz FSBAQHUSKQMKTM-SFHVURJKSA-N 1 1 421.501 2.923 20 0 HFADMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000791191179 1077319751 /nfs/dbraw/zinc/31/97/51/1077319751.db2.gz HWHOAMLXEZUWJC-LJQANCHMSA-N 1 1 408.564 2.813 20 0 HFADMO C[C@H](CCNC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O)[N@@H+](C)Cc1ccccc1 ZINC000746774552 1077342348 /nfs/dbraw/zinc/34/23/48/1077342348.db2.gz QHUFSKGJWCVPOU-NVXWUHKLSA-N 1 1 414.472 2.702 20 0 HFADMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000788914642 1077351546 /nfs/dbraw/zinc/35/15/46/1077351546.db2.gz ZJAGNXWZUDIGLO-WDEREUQCSA-N 1 1 410.765 2.896 20 0 HFADMO O=C(CSc1nnnn1C1CC1)N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000791274310 1077356139 /nfs/dbraw/zinc/35/61/39/1077356139.db2.gz QNDGHNBYZFWGQV-CYBMUJFWSA-N 1 1 401.540 2.545 20 0 HFADMO COC(=O)[C@]1(NC(=O)C[C@H](O)c2cccc(F)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000772771938 1077372462 /nfs/dbraw/zinc/37/24/62/1077372462.db2.gz DOMYXTYTMLUSQT-REWPJTCUSA-N 1 1 414.477 2.573 20 0 HFADMO Cc1ccc(NC(=O)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1N1CCOC1=O ZINC000746781897 1077381989 /nfs/dbraw/zinc/38/19/89/1077381989.db2.gz NVHQFCDNGKJQDW-KRWDZBQOSA-N 1 1 416.522 2.661 20 0 HFADMO Cc1nc(CC(C)C)oc1C(=O)OCC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000789135059 1077406977 /nfs/dbraw/zinc/40/69/77/1077406977.db2.gz VADCHMJKUXRZAP-UHFFFAOYSA-N 1 1 413.518 2.991 20 0 HFADMO O=C(NCc1ccccc1)C1CC[NH+](CCS(=O)(=O)Cc2ccccc2)CC1 ZINC000791442247 1077408603 /nfs/dbraw/zinc/40/86/03/1077408603.db2.gz DZUDYLFPOHSKNL-UHFFFAOYSA-N 1 1 400.544 2.630 20 0 HFADMO CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000746788996 1077441973 /nfs/dbraw/zinc/44/19/73/1077441973.db2.gz AAMDSRCUZPGMEP-UHFFFAOYSA-N 1 1 402.495 2.526 20 0 HFADMO Cc1ccc(CNC(=O)C2CC[NH+](CCS(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000791474186 1077445428 /nfs/dbraw/zinc/44/54/28/1077445428.db2.gz TUYRFJMCXZXARS-UHFFFAOYSA-N 1 1 414.571 2.938 20 0 HFADMO CN1CC[NH+](Cc2ccc(NC(=O)c3nc(Br)ccc3F)cc2)CC1 ZINC000791508324 1077448798 /nfs/dbraw/zinc/44/87/98/1077448798.db2.gz BYWDCCGWPHNZPP-UHFFFAOYSA-N 1 1 407.287 2.983 20 0 HFADMO C[C@@H]1C[N@@H+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@@H](C2CC2)O1 ZINC000791552560 1077475649 /nfs/dbraw/zinc/47/56/49/1077475649.db2.gz IFERVALRWJSLHT-SEVLPDGMSA-N 1 1 404.551 2.983 20 0 HFADMO CC(C)[C@@H]([NH2+]Cc1nc(Cl)ccc1Cl)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000791623375 1077490811 /nfs/dbraw/zinc/49/08/11/1077490811.db2.gz JRYWBCOJSFHQFJ-QGZVFWFLSA-N 1 1 411.337 2.699 20 0 HFADMO Cc1cccc(N2C[C@H](C(=O)OCCC[NH+]3CCN(C(C)C)CC3)CC2=O)c1C ZINC000791602448 1077500854 /nfs/dbraw/zinc/50/08/54/1077500854.db2.gz NCCKEHDNTFTOPV-HXUWFJFHSA-N 1 1 401.551 2.616 20 0 HFADMO COc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC001086600353 1077506591 /nfs/dbraw/zinc/50/65/91/1077506591.db2.gz PANTZIPBMIVOGV-CJIGKZKRSA-N 1 1 419.525 2.598 20 0 HFADMO Cc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)[C@H]3CC(=O)c4ccccc43)CC2)cc1 ZINC000789305286 1077507873 /nfs/dbraw/zinc/50/78/73/1077507873.db2.gz XBUHUYZWEYACGJ-QFIPXVFZSA-N 1 1 420.509 2.943 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCNS(=O)(=O)c1ccccc1 ZINC000789359970 1077514804 /nfs/dbraw/zinc/51/48/04/1077514804.db2.gz VUAYYRVZXIWGMA-MRXNPFEDSA-N 1 1 403.504 2.615 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCNS(=O)(=O)c1ccccc1 ZINC000789359970 1077514809 /nfs/dbraw/zinc/51/48/09/1077514809.db2.gz VUAYYRVZXIWGMA-MRXNPFEDSA-N 1 1 403.504 2.615 20 0 HFADMO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000789358321 1077528003 /nfs/dbraw/zinc/52/80/03/1077528003.db2.gz PQPXCRNWMOCDES-APWZRJJASA-N 1 1 417.506 2.580 20 0 HFADMO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000789358321 1077528004 /nfs/dbraw/zinc/52/80/04/1077528004.db2.gz PQPXCRNWMOCDES-APWZRJJASA-N 1 1 417.506 2.580 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000789360044 1077536993 /nfs/dbraw/zinc/53/69/93/1077536993.db2.gz XFKIJSVUNLFFPY-OAHLLOKOSA-N 1 1 408.458 2.621 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000789360044 1077536996 /nfs/dbraw/zinc/53/69/96/1077536996.db2.gz XFKIJSVUNLFFPY-OAHLLOKOSA-N 1 1 408.458 2.621 20 0 HFADMO COCC(=O)Nc1ccc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000791737252 1077544515 /nfs/dbraw/zinc/54/45/15/1077544515.db2.gz XVEODGUMBVIPIB-KDURUIRLSA-N 1 1 408.502 2.867 20 0 HFADMO COc1ccc(C2(C(=O)OCCC[NH+]3CCN(C(C)C)CC3)CCOCC2)cc1 ZINC000791776724 1077549368 /nfs/dbraw/zinc/54/93/68/1077549368.db2.gz IXKSYXQPXVVHKX-UHFFFAOYSA-N 1 1 404.551 2.703 20 0 HFADMO CCCCNC(=O)[C@H]1CCC[N@H+](CN2C(=O)N[C@](CCC(C)C)(C3CC3)C2=O)C1 ZINC000789425885 1077555181 /nfs/dbraw/zinc/55/51/81/1077555181.db2.gz RITGNESKOYKPFH-HTAPYJJXSA-N 1 1 406.571 2.709 20 0 HFADMO CCCCNC(=O)[C@H]1CCC[N@@H+](CN2C(=O)N[C@](CCC(C)C)(C3CC3)C2=O)C1 ZINC000789425885 1077555184 /nfs/dbraw/zinc/55/51/84/1077555184.db2.gz RITGNESKOYKPFH-HTAPYJJXSA-N 1 1 406.571 2.709 20 0 HFADMO CCc1nn(C)c(CC)c1CC(=O)OCCN1CC[NH+](Cc2ccsc2)CC1 ZINC000791816831 1077565963 /nfs/dbraw/zinc/56/59/63/1077565963.db2.gz IWRBSCAOEDFSGO-UHFFFAOYSA-N 1 1 404.580 2.510 20 0 HFADMO Cn1cc(Br)cc1C(=O)OCCN1CC[NH+](Cc2ccsc2)CC1 ZINC000789438348 1077573035 /nfs/dbraw/zinc/57/30/35/1077573035.db2.gz QHXGANXXBYRLHS-UHFFFAOYSA-N 1 1 412.353 2.824 20 0 HFADMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1sccc1S(=O)(=O)C(F)F ZINC000791827728 1077576293 /nfs/dbraw/zinc/57/62/93/1077576293.db2.gz ICTIVUZSPNQUNC-AWEZNQCLSA-N 1 1 414.499 2.996 20 0 HFADMO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000791829043 1077576537 /nfs/dbraw/zinc/57/65/37/1077576537.db2.gz UNDOYMZDJBKOOM-XORWPDPZSA-N 1 1 401.576 2.883 20 0 HFADMO COc1ccccc1-c1nn(C)cc1C(=O)OCCC[NH+]1CCN(C(C)C)CC1 ZINC000791931879 1077598265 /nfs/dbraw/zinc/59/82/65/1077598265.db2.gz QUJOQMCUEATQAN-UHFFFAOYSA-N 1 1 400.523 2.669 20 0 HFADMO O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791939509 1077599713 /nfs/dbraw/zinc/59/97/13/1077599713.db2.gz MNTZEORPQJWGDV-SLFFLAALSA-N 1 1 407.489 2.769 20 0 HFADMO CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@]3(CO)CC(C)C)CC2)c(F)c1 ZINC000789512693 1077605321 /nfs/dbraw/zinc/60/53/21/1077605321.db2.gz AZTIWIVLBLRVKP-HSZRJFAPSA-N 1 1 419.541 2.550 20 0 HFADMO C[C@H](NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1nnnn1C1CC1 ZINC000791922703 1077612478 /nfs/dbraw/zinc/61/24/78/1077612478.db2.gz USMUKQFXFQWBCG-UGSOOPFHSA-N 1 1 408.428 2.640 20 0 HFADMO O=C(CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccc(F)c(F)c1 ZINC000791974332 1077616362 /nfs/dbraw/zinc/61/63/62/1077616362.db2.gz TVXJDUPYLPVDDW-MRXNPFEDSA-N 1 1 402.445 2.725 20 0 HFADMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CCn1c2ccccc2n(C)c1=O ZINC000791975178 1077617269 /nfs/dbraw/zinc/61/72/69/1077617269.db2.gz ONXJSWKILXZQPA-ICSRJNTNSA-N 1 1 404.514 2.873 20 0 HFADMO Cc1cc2ncn(C[C@@H](O)C[N@H+](C)[C@@H]3CCN(Cc4ccccc4)C3=O)c2cc1C ZINC000789523404 1077619747 /nfs/dbraw/zinc/61/97/47/1077619747.db2.gz YTWCGOWUOKKKFM-RBBKRZOGSA-N 1 1 406.530 2.747 20 0 HFADMO C[C@]1(c2ccccc2Br)NC(=O)N(C[N@@H+]2CC[C@@]3(C2)CCCOC3)C1=O ZINC000789538501 1077633425 /nfs/dbraw/zinc/63/34/25/1077633425.db2.gz CBLYZBZGRMBHQG-RTBURBONSA-N 1 1 422.323 2.676 20 0 HFADMO C[C@]1(c2ccccc2Br)NC(=O)N(C[N@H+]2CC[C@@]3(C2)CCCOC3)C1=O ZINC000789538501 1077633431 /nfs/dbraw/zinc/63/34/31/1077633431.db2.gz CBLYZBZGRMBHQG-RTBURBONSA-N 1 1 422.323 2.676 20 0 HFADMO O=c1oc2cc(I)ccc2n1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000789538362 1077633549 /nfs/dbraw/zinc/63/35/49/1077633549.db2.gz AGBRTCMJUJSHBF-INIZCTEOSA-N 1 1 414.243 2.659 20 0 HFADMO COc1ccc(CN(C)C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1 ZINC000792020090 1077653827 /nfs/dbraw/zinc/65/38/27/1077653827.db2.gz DEZKLJBMAZNZQQ-UHFFFAOYSA-N 1 1 421.538 2.605 20 0 HFADMO COc1ccc([C@H](C)NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1F ZINC000792025150 1077656556 /nfs/dbraw/zinc/65/65/56/1077656556.db2.gz JUYWICPDOUNVLD-HNNXBMFYSA-N 1 1 409.502 2.954 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCCCOc2ccccc2F)CC1 ZINC000792032762 1077659027 /nfs/dbraw/zinc/65/90/27/1077659027.db2.gz HYVJHFOTPCBNDL-UHFFFAOYSA-N 1 1 409.502 2.654 20 0 HFADMO CC(C)(C)OC(=O)NC1(CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CCC1 ZINC000746833612 1077661973 /nfs/dbraw/zinc/66/19/73/1077661973.db2.gz OSSTXFSHILKVFV-UHFFFAOYSA-N 1 1 417.550 2.973 20 0 HFADMO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000746830273 1077673944 /nfs/dbraw/zinc/67/39/44/1077673944.db2.gz ZEATXAZMKVGZFF-SFHVURJKSA-N 1 1 418.582 2.553 20 0 HFADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000792074548 1077681494 /nfs/dbraw/zinc/68/14/94/1077681494.db2.gz JDDTZNWXFLLLKV-XJIUQZFPSA-N 1 1 412.303 2.607 20 0 HFADMO COc1ccc(CCCNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000792075998 1077683233 /nfs/dbraw/zinc/68/32/33/1077683233.db2.gz NPIBFPQDEZYEDD-UHFFFAOYSA-N 1 1 405.539 2.687 20 0 HFADMO COc1c2ccccc2oc1CNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000789614219 1077683883 /nfs/dbraw/zinc/68/38/83/1077683883.db2.gz MYUFXYSPZLZGRQ-UHFFFAOYSA-N 1 1 405.414 2.585 20 0 HFADMO CCOC(=O)N[C@@H](CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)CC(C)C ZINC000792032951 1077685697 /nfs/dbraw/zinc/68/56/97/1077685697.db2.gz MNTZPZFOOPFTGQ-QHAWAJNXSA-N 1 1 416.566 2.921 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCc2coc(-c3cccs3)n2)CC1 ZINC000792035680 1077686671 /nfs/dbraw/zinc/68/66/71/1077686671.db2.gz KJJXKVNNXANQAS-UHFFFAOYSA-N 1 1 420.535 2.962 20 0 HFADMO NC(=O)c1ccccc1CCC(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000792038430 1077688384 /nfs/dbraw/zinc/68/83/84/1077688384.db2.gz LKKODVRCASKRGT-UHFFFAOYSA-N 1 1 402.498 2.611 20 0 HFADMO CC(=O)N(C)c1ccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000792099309 1077695551 /nfs/dbraw/zinc/69/55/51/1077695551.db2.gz BZTRGANZBUZKEA-UHFFFAOYSA-N 1 1 404.511 2.551 20 0 HFADMO CCn1ncc2ccc(NC(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)cc21 ZINC000792106562 1077699211 /nfs/dbraw/zinc/69/92/11/1077699211.db2.gz XMBKVAMBNUVRNQ-UHFFFAOYSA-N 1 1 401.511 2.938 20 0 HFADMO COc1ccc2c(c1)CN(C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)CC2 ZINC000792086281 1077709864 /nfs/dbraw/zinc/70/98/64/1077709864.db2.gz TXCOEVFJRZXKJR-UHFFFAOYSA-N 1 1 403.523 2.523 20 0 HFADMO C[N@@H+](CCOc1cccc(CNC(=O)c2ccnc(F)c2F)c1)C1CCOCC1 ZINC000792128176 1077716108 /nfs/dbraw/zinc/71/61/08/1077716108.db2.gz IFBVSLOMQIDKJA-UHFFFAOYSA-N 1 1 405.445 2.779 20 0 HFADMO CCOc1ccccc1CCNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792132206 1077717660 /nfs/dbraw/zinc/71/76/60/1077717660.db2.gz JHOBKJCZADKXDP-UHFFFAOYSA-N 1 1 405.539 2.687 20 0 HFADMO C[C@@H](O[NH+]=C(N)CCNC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000789645504 1077717737 /nfs/dbraw/zinc/71/77/37/1077717737.db2.gz PBRKUBPMDXGPCU-CYBMUJFWSA-N 1 1 422.482 2.588 20 0 HFADMO Cc1nccc(NCc2cccc(C(=O)OCCC[NH+]3CCN(C(C)C)CC3)c2)n1 ZINC000792135997 1077719062 /nfs/dbraw/zinc/71/90/62/1077719062.db2.gz SOYIQTXPASQTIS-UHFFFAOYSA-N 1 1 411.550 2.970 20 0 HFADMO Cc1ccc2c(c1C)OC[C@H]2NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792137561 1077719071 /nfs/dbraw/zinc/71/90/71/1077719071.db2.gz IRRGALFZZPJWKX-GOSISDBHSA-N 1 1 403.523 2.796 20 0 HFADMO O=C(N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)C(F)(F)C1(O)CCCCC1 ZINC001157460257 1077720587 /nfs/dbraw/zinc/72/05/87/1077720587.db2.gz MIEZIQGPJKUUCO-FQEVSTJZSA-N 1 1 421.532 2.736 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCc2nc(C(C)(C)C)cs2)CC1 ZINC000792144561 1077721628 /nfs/dbraw/zinc/72/16/28/1077721628.db2.gz YPYYNQSMOKIOMX-UHFFFAOYSA-N 1 1 410.584 3.000 20 0 HFADMO CCC[C@H](NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@H](O)c1ccccc1 ZINC000792165810 1077732306 /nfs/dbraw/zinc/73/23/06/1077732306.db2.gz UMAUXGUNFNDRBI-RJGXRXQPSA-N 1 1 411.546 2.955 20 0 HFADMO O=C(NCc1ccc(N2CCOC2=O)cc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792164987 1077732321 /nfs/dbraw/zinc/73/23/21/1077732321.db2.gz XXKRAOPMRJXADZ-OYRHEFFESA-N 1 1 420.513 2.917 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N[C@@H]2CCCN(c3ccccc3)C2)CC1 ZINC000792177629 1077735530 /nfs/dbraw/zinc/73/55/30/1077735530.db2.gz FPSUZVBQBAYUSY-LJQANCHMSA-N 1 1 416.566 2.714 20 0 HFADMO COC(=O)N1CCC[C@H]([C@H](C)NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000792181451 1077737058 /nfs/dbraw/zinc/73/70/58/1077737058.db2.gz ZVMURGPVUWRBOQ-SXLOBPIMSA-N 1 1 402.539 2.675 20 0 HFADMO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000746842740 1077738315 /nfs/dbraw/zinc/73/83/15/1077738315.db2.gz YYEAQUJXRABKIF-YJBOKZPZSA-N 1 1 418.538 2.578 20 0 HFADMO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000746842740 1077738320 /nfs/dbraw/zinc/73/83/20/1077738320.db2.gz YYEAQUJXRABKIF-YJBOKZPZSA-N 1 1 418.538 2.578 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCCc2c[nH]c3ccc(F)cc23)CC1 ZINC000792189157 1077739053 /nfs/dbraw/zinc/73/90/53/1077739053.db2.gz VVPNWRRAAUNNAJ-UHFFFAOYSA-N 1 1 418.513 2.909 20 0 HFADMO COCCOC(=O)c1sc2[nH]c(C[N@@H+]3CCC[C@H]3C3CCC3)nc(=O)c2c1C ZINC000772743370 1077739338 /nfs/dbraw/zinc/73/93/38/1077739338.db2.gz VBEFLJUQLCOJLJ-AWEZNQCLSA-N 1 1 405.520 2.861 20 0 HFADMO COCCOC(=O)c1sc2[nH]c(C[N@H+]3CCC[C@H]3C3CCC3)nc(=O)c2c1C ZINC000772743370 1077739343 /nfs/dbraw/zinc/73/93/43/1077739343.db2.gz VBEFLJUQLCOJLJ-AWEZNQCLSA-N 1 1 405.520 2.861 20 0 HFADMO COc1ccc2c(c1)OCC[C@@H]2NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792194557 1077740416 /nfs/dbraw/zinc/74/04/16/1077740416.db2.gz AGQLIHNQQMEWBS-SFHVURJKSA-N 1 1 419.522 2.578 20 0 HFADMO O=C1O[C@H](C[NH+]2CCN(CCCc3nc(-c4cccs4)no3)CC2)CC12CCC2 ZINC000792196089 1077741447 /nfs/dbraw/zinc/74/14/47/1077741447.db2.gz ISKMNJPDRUHHHT-INIZCTEOSA-N 1 1 416.547 2.834 20 0 HFADMO O=C1O[C@H](CN2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)CC12CCC2 ZINC000792196089 1077741454 /nfs/dbraw/zinc/74/14/54/1077741454.db2.gz ISKMNJPDRUHHHT-INIZCTEOSA-N 1 1 416.547 2.834 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCc2coc(-c3ccccc3)n2)CC1 ZINC000792197621 1077741735 /nfs/dbraw/zinc/74/17/35/1077741735.db2.gz ZWRHYQPNQQMZSO-UHFFFAOYSA-N 1 1 414.506 2.901 20 0 HFADMO Cc1nc2sccn2c1CN(C)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792207796 1077746296 /nfs/dbraw/zinc/74/62/96/1077746296.db2.gz PBZPCKXSWCVPKL-UHFFFAOYSA-N 1 1 421.567 2.605 20 0 HFADMO Cc1ccc(N2CCC(C(=O)N(C)[C@@H]3CCN(Cc4ccccc4)C3=O)CC2)[nH+]c1 ZINC000789707451 1077747094 /nfs/dbraw/zinc/74/70/94/1077747094.db2.gz FUSXHNOZRMLOIP-OAQYLSRUSA-N 1 1 406.530 2.866 20 0 HFADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000746850001 1077747510 /nfs/dbraw/zinc/74/75/10/1077747510.db2.gz YKWKTCLVHOGCOC-KFLIGKCHSA-N 1 1 405.564 2.935 20 0 HFADMO Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H]2C)c1C ZINC000792234926 1077756795 /nfs/dbraw/zinc/75/67/95/1077756795.db2.gz HSTWJANLCUJEJH-CYBMUJFWSA-N 1 1 403.914 2.682 20 0 HFADMO C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792236384 1077758098 /nfs/dbraw/zinc/75/80/98/1077758098.db2.gz KMXILDGHQSFMLS-LPHOPBHVSA-N 1 1 423.529 2.697 20 0 HFADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](CCC(=O)Nc2ccc(N(C)C)cc2)CCO1 ZINC000792237356 1077758912 /nfs/dbraw/zinc/75/89/12/1077758912.db2.gz LPLVFMUKZAQPMH-LPHOPBHVSA-N 1 1 420.554 2.695 20 0 HFADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(N(C)C)cc2)CCO1 ZINC000792237356 1077758919 /nfs/dbraw/zinc/75/89/19/1077758919.db2.gz LPLVFMUKZAQPMH-LPHOPBHVSA-N 1 1 420.554 2.695 20 0 HFADMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](CCC(=O)Nc2ccc(N(C)C)cc2)CCO1 ZINC000792237354 1077758932 /nfs/dbraw/zinc/75/89/32/1077758932.db2.gz LPLVFMUKZAQPMH-APWZRJJASA-N 1 1 420.554 2.695 20 0 HFADMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(N(C)C)cc2)CCO1 ZINC000792237354 1077758935 /nfs/dbraw/zinc/75/89/35/1077758935.db2.gz LPLVFMUKZAQPMH-APWZRJJASA-N 1 1 420.554 2.695 20 0 HFADMO Cc1cc(C)c(N2CC[C@@H](NC(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)C2=O)c(C)c1 ZINC000789722902 1077759287 /nfs/dbraw/zinc/75/92/87/1077759287.db2.gz BUOXFMHWGIEEFV-FGZHOGPDSA-N 1 1 421.541 2.734 20 0 HFADMO Cc1cc(C)c(N2CC[C@@H](NC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C2=O)c(C)c1 ZINC000789722902 1077759290 /nfs/dbraw/zinc/75/92/90/1077759290.db2.gz BUOXFMHWGIEEFV-FGZHOGPDSA-N 1 1 421.541 2.734 20 0 HFADMO CC[C@H](O)CN(Cc1ccccc1)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792247777 1077763802 /nfs/dbraw/zinc/76/38/02/1077763802.db2.gz DIBIULXTIVHNSB-FQEVSTJZSA-N 1 1 419.566 2.729 20 0 HFADMO COc1ccc(CCC(=O)N2CCC[N@@H+](C[C@H]3CC4(CCC4)C(=O)O3)CC2)cc1 ZINC000792215326 1077768834 /nfs/dbraw/zinc/76/88/34/1077768834.db2.gz OCARPPSJAAPORU-HXUWFJFHSA-N 1 1 400.519 2.648 20 0 HFADMO Cc1nc2ccc(Br)cn2c1C(=O)OCCC[NH+]1CCN(C(C)C)CC1 ZINC000792283002 1077774263 /nfs/dbraw/zinc/77/42/63/1077774263.db2.gz ZJXCNWSAVSDWOH-UHFFFAOYSA-N 1 1 423.355 2.978 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)C2)c1 ZINC000792284768 1077775106 /nfs/dbraw/zinc/77/51/06/1077775106.db2.gz JESMGHCHFPSLNP-YUXAGFNASA-N 1 1 409.486 2.758 20 0 HFADMO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1nc(Br)ccc1F ZINC000792285682 1077775622 /nfs/dbraw/zinc/77/56/22/1077775622.db2.gz OECXVFGNIROMHK-HOCLYGCPSA-N 1 1 422.298 2.596 20 0 HFADMO CCOC(=O)C1(CNC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CCCC1 ZINC000792262751 1077785067 /nfs/dbraw/zinc/78/50/67/1077785067.db2.gz YNCKMCDIUCRTPU-UHFFFAOYSA-N 1 1 403.523 2.806 20 0 HFADMO C[C@@H](CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)NC(=O)OC(C)(C)C ZINC000792265153 1077786950 /nfs/dbraw/zinc/78/69/50/1077786950.db2.gz WNVCLYKBIUJBIT-YTQUADARSA-N 1 1 402.539 2.673 20 0 HFADMO Cc1nn(C)c(C)c1C[C@H](C)C(=O)OCC[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000789792260 1077798558 /nfs/dbraw/zinc/79/85/58/1077798558.db2.gz OVNKHBXGGBPWSA-INIZCTEOSA-N 1 1 422.570 2.702 20 0 HFADMO Cc1nn(C)c(C)c1C[C@H](C)C(=O)OCC[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000789792260 1077798563 /nfs/dbraw/zinc/79/85/63/1077798563.db2.gz OVNKHBXGGBPWSA-INIZCTEOSA-N 1 1 422.570 2.702 20 0 HFADMO CC(C)[N@@H+]1CCO[C@H](COC(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)C1 ZINC000789774861 1077808881 /nfs/dbraw/zinc/80/88/81/1077808881.db2.gz UWVISGJEGLWRCT-HNNXBMFYSA-N 1 1 404.488 2.847 20 0 HFADMO CC(C)[N@H+]1CCO[C@H](COC(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)C1 ZINC000789774861 1077808888 /nfs/dbraw/zinc/80/88/88/1077808888.db2.gz UWVISGJEGLWRCT-HNNXBMFYSA-N 1 1 404.488 2.847 20 0 HFADMO COc1ccc2c(c1)[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)CCO2 ZINC000792329236 1077810100 /nfs/dbraw/zinc/81/01/00/1077810100.db2.gz XMNZNEVDCCYAOH-SFHVURJKSA-N 1 1 419.522 2.578 20 0 HFADMO C[C@@H](c1nc(N)nc(N(C)C)n1)[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792334477 1077823629 /nfs/dbraw/zinc/82/36/29/1077823629.db2.gz XQXPZWHXVREWIF-HNNXBMFYSA-N 1 1 419.574 2.694 20 0 HFADMO CCc1ccc([C@@H]2CN(C(=O)C(=O)Nc3ccc(-n4cc[nH+]c4C)nc3)CCO2)cc1 ZINC000792346367 1077828959 /nfs/dbraw/zinc/82/89/59/1077828959.db2.gz KKDIVCDYOUTSAU-FQEVSTJZSA-N 1 1 419.485 2.677 20 0 HFADMO O=C(C[NH+]1CCC(Oc2ccc(F)nc2)CC1)NCc1cnn(-c2ccccc2)c1 ZINC000792384487 1077848215 /nfs/dbraw/zinc/84/82/15/1077848215.db2.gz FWNZJLJFOMUETO-UHFFFAOYSA-N 1 1 409.465 2.566 20 0 HFADMO COc1cccc(CN(C)C(=O)C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c1OC ZINC000792384546 1077848239 /nfs/dbraw/zinc/84/82/39/1077848239.db2.gz GVHLAFLGSCIVOR-UHFFFAOYSA-N 1 1 417.481 2.740 20 0 HFADMO CC1(C)CCCN(c2ccnc(N(C(N)=[NH2+])c3ccc(N4CCOCC4)cc3)n2)C1 ZINC001170166559 1077851516 /nfs/dbraw/zinc/85/15/16/1077851516.db2.gz PEQZEQUQYGOKPZ-UHFFFAOYSA-N 1 1 409.538 2.971 20 0 HFADMO COCC[N@@H+](CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)[C@H]1CC[C@@H](C)C1 ZINC000792461987 1077858591 /nfs/dbraw/zinc/85/85/91/1077858591.db2.gz BKSOSQRPAODVCJ-XLIONFOSSA-N 1 1 419.541 2.814 20 0 HFADMO CCc1c(NC(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)cnn1-c1ccccc1C ZINC000792489433 1077864237 /nfs/dbraw/zinc/86/42/37/1077864237.db2.gz XBNRYQXEPJNCEJ-KRWDZBQOSA-N 1 1 413.522 2.844 20 0 HFADMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCN(C(=O)c2cccnc2)CC1 ZINC000792499037 1077867998 /nfs/dbraw/zinc/86/79/98/1077867998.db2.gz SWJJKYDMVGHKIS-FQEVSTJZSA-N 1 1 406.530 2.572 20 0 HFADMO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)c1nnnn1C1CC1 ZINC000792470346 1077871908 /nfs/dbraw/zinc/87/19/08/1077871908.db2.gz REAMJARTJPKFCG-BXKDBHETSA-N 1 1 416.707 2.514 20 0 HFADMO C[C@H](CNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000790031158 1077903628 /nfs/dbraw/zinc/90/36/28/1077903628.db2.gz FHYUWJQBHBMCJT-VQTJNVASSA-N 1 1 414.594 2.572 20 0 HFADMO CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC001170218798 1077909956 /nfs/dbraw/zinc/90/99/56/1077909956.db2.gz VKLLCOSDTGJXME-CTNGQTDRSA-N 1 1 403.567 2.839 20 0 HFADMO CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC001170218798 1077909958 /nfs/dbraw/zinc/90/99/58/1077909958.db2.gz VKLLCOSDTGJXME-CTNGQTDRSA-N 1 1 403.567 2.839 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@@H+]1CCO[C@@H]2[C@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001170274941 1077926436 /nfs/dbraw/zinc/92/64/36/1077926436.db2.gz SZZKIQYKFDEGCE-YDPGBSGYSA-N 1 1 414.937 2.970 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@H+]1CCO[C@@H]2[C@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001170274941 1077926440 /nfs/dbraw/zinc/92/64/40/1077926440.db2.gz SZZKIQYKFDEGCE-YDPGBSGYSA-N 1 1 414.937 2.970 20 0 HFADMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000790049429 1077929615 /nfs/dbraw/zinc/92/96/15/1077929615.db2.gz GIGXZOJELFBBQI-VQTJNVASSA-N 1 1 414.594 2.572 20 0 HFADMO O=C(N1C[C@H]2CC[N@@H+](Cc3ccn(-c4c(F)cccc4F)n3)C[C@@H]2C1)C(F)(F)F ZINC001170280138 1077936180 /nfs/dbraw/zinc/93/61/80/1077936180.db2.gz BAXMUDNWAQOQCC-CHWSQXEVSA-N 1 1 414.378 2.993 20 0 HFADMO O=C(N1C[C@H]2CC[N@H+](Cc3ccn(-c4c(F)cccc4F)n3)C[C@@H]2C1)C(F)(F)F ZINC001170280138 1077936182 /nfs/dbraw/zinc/93/61/82/1077936182.db2.gz BAXMUDNWAQOQCC-CHWSQXEVSA-N 1 1 414.378 2.993 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@H](CC[N@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)C1 ZINC001170280832 1077936508 /nfs/dbraw/zinc/93/65/08/1077936508.db2.gz SOBZCAFAOXGTOL-HRCADAONSA-N 1 1 419.488 2.976 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@H](CC[N@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)C1 ZINC001170280833 1077936582 /nfs/dbraw/zinc/93/65/82/1077936582.db2.gz SOBZCAFAOXGTOL-JYJNAYRXSA-N 1 1 419.488 2.976 20 0 HFADMO COC(=O)c1ccc(CNC(=O)[C@@H](C)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)cc1 ZINC001170334266 1077946351 /nfs/dbraw/zinc/94/63/51/1077946351.db2.gz YZCJPTRPUGGOQF-VQTJNVASSA-N 1 1 423.557 2.932 20 0 HFADMO CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)NCCC[NH+]3CCOCC3)CC2)CC1 ZINC000790100663 1077948744 /nfs/dbraw/zinc/94/87/44/1077948744.db2.gz RRAYXQRMHWNTGV-UHFFFAOYSA-N 1 1 424.586 2.531 20 0 HFADMO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cnc(N2CCCCC2)nc1OCc1ccccc1 ZINC001170342965 1077953661 /nfs/dbraw/zinc/95/36/61/1077953661.db2.gz NAXCHFYBPBEVLE-UHFFFAOYSA-N 1 1 408.506 2.747 20 0 HFADMO C[C@@H]1CC[C@H](NC(=O)[C@]2([NH+](C)C)COc3ccccc3C2)CN1C(=O)OC(C)(C)C ZINC001170348578 1077955365 /nfs/dbraw/zinc/95/53/65/1077955365.db2.gz NEXOASFDXFWYLQ-WLENULPWSA-N 1 1 417.550 2.826 20 0 HFADMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2nccn3c(Br)cnc23)CC1 ZINC000772813142 1077955879 /nfs/dbraw/zinc/95/58/79/1077955879.db2.gz ZHGQVLSWZPYYLT-UHFFFAOYSA-N 1 1 416.279 2.879 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)C[C@H](C)O1 ZINC000790121115 1077957623 /nfs/dbraw/zinc/95/76/23/1077957623.db2.gz DQRIHZPEDLXEFY-CALCHBBNSA-N 1 1 405.539 2.893 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)C[C@H](C)O1 ZINC000790121115 1077957624 /nfs/dbraw/zinc/95/76/24/1077957624.db2.gz DQRIHZPEDLXEFY-CALCHBBNSA-N 1 1 405.539 2.893 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)CN(C(=O)OC(C)(C)C)c1ccccc1 ZINC000790126246 1077959812 /nfs/dbraw/zinc/95/98/12/1077959812.db2.gz WLEVXDFFWSTPCR-UHFFFAOYSA-N 1 1 405.539 2.997 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)CN(C(=O)OC(C)(C)C)c1ccccc1 ZINC000790126246 1077959816 /nfs/dbraw/zinc/95/98/16/1077959816.db2.gz WLEVXDFFWSTPCR-UHFFFAOYSA-N 1 1 405.539 2.997 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000790126208 1077959856 /nfs/dbraw/zinc/95/98/56/1077959856.db2.gz VXKGPKNMBRVCDO-QGZVFWFLSA-N 1 1 409.571 2.593 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000790126208 1077959858 /nfs/dbraw/zinc/95/98/58/1077959858.db2.gz VXKGPKNMBRVCDO-QGZVFWFLSA-N 1 1 409.571 2.593 20 0 HFADMO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000790156464 1077960925 /nfs/dbraw/zinc/96/09/25/1077960925.db2.gz ALEFNUMULAQJJR-DENIHFKCSA-N 1 1 413.566 2.880 20 0 HFADMO C[C@H](OC(=O)Cc1ccc(Cl)cn1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792718777 1077973872 /nfs/dbraw/zinc/97/38/72/1077973872.db2.gz QAJLVHVWMFDBCL-KXBFYZLASA-N 1 1 401.894 2.600 20 0 HFADMO C[N@H+](CCS(=O)(=O)c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000790294114 1077988376 /nfs/dbraw/zinc/98/83/76/1077988376.db2.gz AOZRCDANXSAFJE-UHFFFAOYSA-N 1 1 400.516 2.931 20 0 HFADMO C[N@@H+](CCS(=O)(=O)c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000790294114 1077988378 /nfs/dbraw/zinc/98/83/78/1077988378.db2.gz AOZRCDANXSAFJE-UHFFFAOYSA-N 1 1 400.516 2.931 20 0 HFADMO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1[C@H]1CCN(C2CCOCC2)C1=O ZINC000790319414 1077996679 /nfs/dbraw/zinc/99/66/79/1077996679.db2.gz NZWABAKZDBMWFL-OFAXGOBFSA-N 1 1 414.594 2.702 20 0 HFADMO COc1ncc(C(=O)O[C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000792862039 1078010606 /nfs/dbraw/zinc/01/06/06/1078010606.db2.gz PSUXQOYYVQKXSO-WMLDXEAASA-N 1 1 417.893 2.680 20 0 HFADMO COc1cccc(CN(CC[NH+](C)C)C(=O)NCc2n[nH]c(-c3ccccc3)n2)c1 ZINC000790386365 1078011808 /nfs/dbraw/zinc/01/18/08/1078011808.db2.gz MVYNMYJJXSXGBL-UHFFFAOYSA-N 1 1 408.506 2.754 20 0 HFADMO COc1cccc(CN(CC[NH+](C)C)C(=O)NCc2nc(-c3ccccc3)n[nH]2)c1 ZINC000790386365 1078011814 /nfs/dbraw/zinc/01/18/14/1078011814.db2.gz MVYNMYJJXSXGBL-UHFFFAOYSA-N 1 1 408.506 2.754 20 0 HFADMO Cn1c2ccc(CNc3ccc(OCC[NH+]4CCN(C)CC4)cc3)cc2sc1=O ZINC000792854005 1078015197 /nfs/dbraw/zinc/01/51/97/1078015197.db2.gz IHELYKQMUHZOCI-UHFFFAOYSA-N 1 1 412.559 2.838 20 0 HFADMO CC(C)C1CCC([NH+]2CCN(CN3C[C@@]4(CN5CCC4CC5)OC3=O)CC2)CC1 ZINC000790366228 1078015438 /nfs/dbraw/zinc/01/54/38/1078015438.db2.gz HMJPHXPLUAECNS-POOLCLQXSA-N 1 1 404.599 2.693 20 0 HFADMO O=S1(=O)CCC[C@H](C[NH+]2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)C1 ZINC000792881258 1078016454 /nfs/dbraw/zinc/01/64/54/1078016454.db2.gz YSSWAZXKARRFDH-CQSZACIVSA-N 1 1 407.454 2.693 20 0 HFADMO CN(C)S(=O)(=O)c1cccc2c1CC[N@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC000792894558 1078018463 /nfs/dbraw/zinc/01/84/63/1078018463.db2.gz FRYKUBLLGAVZAN-MRXNPFEDSA-N 1 1 423.579 2.552 20 0 HFADMO CN(C)S(=O)(=O)c1cccc2c1CC[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC000792894558 1078018468 /nfs/dbraw/zinc/01/84/68/1078018468.db2.gz FRYKUBLLGAVZAN-MRXNPFEDSA-N 1 1 423.579 2.552 20 0 HFADMO C[C@@]12CC[N@H+](CC(=O)N3CCC(NC(=O)c4ccccc4)CC3)C[C@@H]1C2(Cl)Cl ZINC000792897242 1078018869 /nfs/dbraw/zinc/01/88/69/1078018869.db2.gz AJGQCEOROXRNIQ-FXAWDEMLSA-N 1 1 424.372 2.923 20 0 HFADMO C[C@@]12CC[N@@H+](CC(=O)N3CCC(NC(=O)c4ccccc4)CC3)C[C@@H]1C2(Cl)Cl ZINC000792897242 1078018875 /nfs/dbraw/zinc/01/88/75/1078018875.db2.gz AJGQCEOROXRNIQ-FXAWDEMLSA-N 1 1 424.372 2.923 20 0 HFADMO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cn1 ZINC000790424178 1078022891 /nfs/dbraw/zinc/02/28/91/1078022891.db2.gz KJHAWWPAXSLOKO-MTNREXPMSA-N 1 1 411.550 2.631 20 0 HFADMO CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 ZINC000792911587 1078023409 /nfs/dbraw/zinc/02/34/09/1078023409.db2.gz XYFDREJVUBETKY-QFBILLFUSA-N 1 1 418.409 2.903 20 0 HFADMO CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 ZINC000792911587 1078023414 /nfs/dbraw/zinc/02/34/14/1078023414.db2.gz XYFDREJVUBETKY-QFBILLFUSA-N 1 1 418.409 2.903 20 0 HFADMO C[N@H+](CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)C(C)(C)c1ccccc1 ZINC000792924904 1078027349 /nfs/dbraw/zinc/02/73/49/1078027349.db2.gz JIXAZWSHLCMCMC-XMMPIXPASA-N 1 1 422.529 2.828 20 0 HFADMO C[N@@H+](CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)C(C)(C)c1ccccc1 ZINC000792924904 1078027351 /nfs/dbraw/zinc/02/73/51/1078027351.db2.gz JIXAZWSHLCMCMC-XMMPIXPASA-N 1 1 422.529 2.828 20 0 HFADMO C[C@@H]1CN(C(=O)C[N@H+](CCNC(=O)OC(C)(C)C)CCc2ccccc2)C[C@H](C)O1 ZINC000792931682 1078027974 /nfs/dbraw/zinc/02/79/74/1078027974.db2.gz RYBUYSYUXWLUSC-KDURUIRLSA-N 1 1 419.566 2.692 20 0 HFADMO C[C@@H]1CN(C(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)CCc2ccccc2)C[C@H](C)O1 ZINC000792931682 1078027980 /nfs/dbraw/zinc/02/79/80/1078027980.db2.gz RYBUYSYUXWLUSC-KDURUIRLSA-N 1 1 419.566 2.692 20 0 HFADMO COC(=O)Nc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000747093852 1078033065 /nfs/dbraw/zinc/03/30/65/1078033065.db2.gz BFOPAHPARJZINV-XLIONFOSSA-N 1 1 412.490 2.869 20 0 HFADMO COC(=O)Nc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000747093851 1078033115 /nfs/dbraw/zinc/03/31/15/1078033115.db2.gz BFOPAHPARJZINV-PXNSSMCTSA-N 1 1 412.490 2.869 20 0 HFADMO COC(=O)Nc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000747094675 1078035663 /nfs/dbraw/zinc/03/56/63/1078035663.db2.gz FCSBVPDTBVZQQO-PXNSSMCTSA-N 1 1 412.490 2.869 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH+]1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000792961400 1078036516 /nfs/dbraw/zinc/03/65/16/1078036516.db2.gz XJKGIJIWMZAGHP-LJQANCHMSA-N 1 1 411.587 2.767 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@H](O)C[N@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000792986580 1078041153 /nfs/dbraw/zinc/04/11/53/1078041153.db2.gz QNOFTBAQKSHAER-INIZCTEOSA-N 1 1 413.559 2.738 20 0 HFADMO C[C@H]1CC[C@H]([N@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)Nc3ccccc3)CC2)C1 ZINC001170137238 1078041520 /nfs/dbraw/zinc/04/15/20/1078041520.db2.gz NIMQLMWMEVVTQC-KMQSCTNJSA-N 1 1 419.591 2.930 20 0 HFADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NCC(F)(F)Br)cc2)CC1 ZINC000806240025 1079516438 /nfs/dbraw/zinc/51/64/38/1079516438.db2.gz MBQUMUZQTTVRKM-UHFFFAOYSA-N 1 1 419.270 2.574 20 0 HFADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000806254229 1079522273 /nfs/dbraw/zinc/52/22/73/1079522273.db2.gz RENBSQAUMFBGRT-SFTDATJTSA-N 1 1 421.557 2.724 20 0 HFADMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747324656 1079592399 /nfs/dbraw/zinc/59/23/99/1079592399.db2.gz CTNUNOQEFICEAY-MOPGFXCFSA-N 1 1 402.926 2.664 20 0 HFADMO Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)c12 ZINC000747326495 1079645073 /nfs/dbraw/zinc/64/50/73/1079645073.db2.gz SDXCCDKAFOYSEN-SJORKVTESA-N 1 1 410.449 2.930 20 0 HFADMO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)CCC2 ZINC000806426190 1079671353 /nfs/dbraw/zinc/67/13/53/1079671353.db2.gz YSKLBZICOMLMFC-PKOBYXMFSA-N 1 1 412.559 2.726 20 0 HFADMO C[C@H](C(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806450902 1079721551 /nfs/dbraw/zinc/72/15/51/1079721551.db2.gz ALYPCKXISYIKJH-KRWDZBQOSA-N 1 1 416.566 2.876 20 0 HFADMO COCC[N@@H+]1CCN(C(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)C(C)(C)C1 ZINC001130636136 1079727391 /nfs/dbraw/zinc/72/73/91/1079727391.db2.gz WPLGLHOBAUYJDQ-UHFFFAOYSA-N 1 1 417.531 2.764 20 0 HFADMO COCC[N@H+]1CCN(C(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)C(C)(C)C1 ZINC001130636136 1079727395 /nfs/dbraw/zinc/72/73/95/1079727395.db2.gz WPLGLHOBAUYJDQ-UHFFFAOYSA-N 1 1 417.531 2.764 20 0 HFADMO Cn1[nH]cc2c(=NC(=O)N[C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)ccnc1-2 ZINC000806490762 1079742024 /nfs/dbraw/zinc/74/20/24/1079742024.db2.gz LXLIWIYYMDCNCH-YSIASYRMSA-N 1 1 404.518 2.764 20 0 HFADMO Cc1noc(C)c1CCCNC(=O)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000806478668 1079764585 /nfs/dbraw/zinc/76/45/85/1079764585.db2.gz WOQVORVRRYFLCF-QGZVFWFLSA-N 1 1 418.582 2.843 20 0 HFADMO C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc[nH]1 ZINC000806528055 1079801858 /nfs/dbraw/zinc/80/18/58/1079801858.db2.gz VDWKKRIDECVFLK-YEWDVWPNSA-N 1 1 406.889 2.794 20 0 HFADMO C[C@H]1CCN(C(=O)C(=O)NCCc2ccc(Cl)nc2)CC[N@H+]1Cc1ccccc1 ZINC000806593577 1079836600 /nfs/dbraw/zinc/83/66/00/1079836600.db2.gz KEZROKGUPYYXEO-KRWDZBQOSA-N 1 1 414.937 2.517 20 0 HFADMO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000806627099 1079884404 /nfs/dbraw/zinc/88/44/04/1079884404.db2.gz ANKCKEKSRCJNHC-UHFFFAOYSA-N 1 1 404.941 2.796 20 0 HFADMO CNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000806639443 1079896111 /nfs/dbraw/zinc/89/61/11/1079896111.db2.gz OBHPLLAVLYTYES-DLBZAZTESA-N 1 1 408.568 2.880 20 0 HFADMO O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747343734 1079909376 /nfs/dbraw/zinc/90/93/76/1079909376.db2.gz RVWIVOJZTNNQSW-IAGOWNOFSA-N 1 1 404.898 2.692 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000806727744 1079952435 /nfs/dbraw/zinc/95/24/35/1079952435.db2.gz BXKOXKYPVGBSTG-LJQANCHMSA-N 1 1 423.557 2.653 20 0 HFADMO CC(C)C(=O)Nc1cc(C(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)ccn1 ZINC001130733708 1079973009 /nfs/dbraw/zinc/97/30/09/1079973009.db2.gz WZWXWPGNNNCMDM-LEWJYISDSA-N 1 1 422.529 2.792 20 0 HFADMO CC(C)C[N@@H+](C)CCCNC(=O)c1ccc2ncc(I)n2c1 ZINC001130730339 1080001005 /nfs/dbraw/zinc/00/10/05/1080001005.db2.gz MGUHJRWLPKWFPF-UHFFFAOYSA-N 1 1 414.291 2.647 20 0 HFADMO CCOC1CC2(C[C@H]2C(=O)Nc2ccc(OCCC[NH+]3CCN(C)CC3)cc2)C1 ZINC001130742496 1080006611 /nfs/dbraw/zinc/00/66/11/1080006611.db2.gz ZZCQGRYXEGFGOA-QKDPSFTKSA-N 1 1 401.551 2.847 20 0 HFADMO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000806788161 1080010167 /nfs/dbraw/zinc/01/01/67/1080010167.db2.gz DHXJANQMNKIAMZ-VXKWHMMOSA-N 1 1 415.578 2.790 20 0 HFADMO CC(C)OC(=O)N1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000806796320 1080015450 /nfs/dbraw/zinc/01/54/50/1080015450.db2.gz ZCILDDYLXSCWPQ-XLIONFOSSA-N 1 1 402.539 2.958 20 0 HFADMO C[C@@H](NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1)[C@@H]1C[N@H+](C)CCO1 ZINC000806802807 1080019958 /nfs/dbraw/zinc/01/99/58/1080019958.db2.gz XVXCXDXRLQAZMV-SCZZXKLOSA-N 1 1 411.222 2.704 20 0 HFADMO C[C@@H](NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000806802807 1080019965 /nfs/dbraw/zinc/01/99/65/1080019965.db2.gz XVXCXDXRLQAZMV-SCZZXKLOSA-N 1 1 411.222 2.704 20 0 HFADMO Cc1nn(C)c2nc(C)c(CC(=O)N3CC[N@H+](C)C[C@@H]3Cc3ccccc3)c(C)c12 ZINC001130752526 1080023054 /nfs/dbraw/zinc/02/30/54/1080023054.db2.gz UCRVIPSOYHUPAW-FQEVSTJZSA-N 1 1 405.546 2.821 20 0 HFADMO Cc1nn(C)c2nc(C)c(CC(=O)N3CC[N@@H+](C)C[C@@H]3Cc3ccccc3)c(C)c12 ZINC001130752526 1080023061 /nfs/dbraw/zinc/02/30/61/1080023061.db2.gz UCRVIPSOYHUPAW-FQEVSTJZSA-N 1 1 405.546 2.821 20 0 HFADMO COC(=O)N1CCC(CNC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000806968308 1080136943 /nfs/dbraw/zinc/13/69/43/1080136943.db2.gz AKLXSXIRVMNQKK-WGMWDUQUSA-N 1 1 416.566 2.921 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)[C@H](C)C1 ZINC000806945007 1080154371 /nfs/dbraw/zinc/15/43/71/1080154371.db2.gz GRKPVRGBZRGFLQ-SJORKVTESA-N 1 1 420.554 2.673 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000807016355 1080212861 /nfs/dbraw/zinc/21/28/61/1080212861.db2.gz RLBUHKVBRITVBH-QZTJIDSGSA-N 1 1 409.530 2.974 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000807016355 1080212872 /nfs/dbraw/zinc/21/28/72/1080212872.db2.gz RLBUHKVBRITVBH-QZTJIDSGSA-N 1 1 409.530 2.974 20 0 HFADMO CSCC[C@H](C)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000807054188 1080238196 /nfs/dbraw/zinc/23/81/96/1080238196.db2.gz GCDRFDYZUFNWQG-DFQSSKMNSA-N 1 1 403.592 2.757 20 0 HFADMO C[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)[C@H]1c1ccccc1 ZINC000807088253 1080266851 /nfs/dbraw/zinc/26/68/51/1080266851.db2.gz NERQWHNUAFJPPB-YTFSRNRJSA-N 1 1 421.541 2.832 20 0 HFADMO C[C@H](CNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000807088377 1080267306 /nfs/dbraw/zinc/26/73/06/1080267306.db2.gz AFTGEOKISSSQRK-OPYAIIAOSA-N 1 1 401.551 2.507 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000807113973 1080290358 /nfs/dbraw/zinc/29/03/58/1080290358.db2.gz JIWQMWYKYJCLSA-QFBILLFUSA-N 1 1 414.937 2.686 20 0 HFADMO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)no1 ZINC000807113718 1080290380 /nfs/dbraw/zinc/29/03/80/1080290380.db2.gz IDLRPXHVIQWOJQ-BSIFCXSSSA-N 1 1 410.518 2.673 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N(C)CCc1ccccc1F ZINC000807114677 1080291498 /nfs/dbraw/zinc/29/14/98/1080291498.db2.gz YUSKBROQSIPJAQ-XMSQKQJNSA-N 1 1 411.521 2.853 20 0 HFADMO CC(=O)NCC[C@H]1CCCN(C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000807202925 1080349652 /nfs/dbraw/zinc/34/96/52/1080349652.db2.gz IDPGNQLGGIELPO-FYYLOGMGSA-N 1 1 400.567 2.846 20 0 HFADMO CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)C1 ZINC000747377800 1080357828 /nfs/dbraw/zinc/35/78/28/1080357828.db2.gz SUQDNDVBRXPQJC-INIZCTEOSA-N 1 1 414.554 2.583 20 0 HFADMO C[C@@H](NC(=O)NCCS(=O)(=O)CCc1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000807211076 1080358965 /nfs/dbraw/zinc/35/89/65/1080358965.db2.gz HYIDBLGZMHGGPS-NQIIRXRSSA-N 1 1 417.575 2.635 20 0 HFADMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001130895651 1080432409 /nfs/dbraw/zinc/43/24/09/1080432409.db2.gz UADJQUNRIVEBRJ-OLZOCXBDSA-N 1 1 420.000 2.544 20 0 HFADMO CCOC(=O)C1C[N@@H+](Cc2ccccc2)CCC1=Nc1nccnc1C(OC)OC ZINC001170522023 1080494818 /nfs/dbraw/zinc/49/48/18/1080494818.db2.gz UPHNCLGOIXYRQB-UHFFFAOYSA-N 1 1 412.490 2.903 20 0 HFADMO COC(=O)Nc1cccc(CNC(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000807491421 1080679408 /nfs/dbraw/zinc/67/94/08/1080679408.db2.gz NXNYGYADNVPPHD-JTDSTZFVSA-N 1 1 404.511 2.648 20 0 HFADMO COC(=O)Nc1cccc(CNC(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000807491421 1080679412 /nfs/dbraw/zinc/67/94/12/1080679412.db2.gz NXNYGYADNVPPHD-JTDSTZFVSA-N 1 1 404.511 2.648 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N(C[C@@H](C)c2ccccc2)[C@@H](C)CO)cn1 ZINC000807507400 1080709633 /nfs/dbraw/zinc/70/96/33/1080709633.db2.gz QVMUZSHCCAGLMT-SJORKVTESA-N 1 1 421.501 2.527 20 0 HFADMO COC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1C ZINC000807543476 1080758132 /nfs/dbraw/zinc/75/81/32/1080758132.db2.gz OVZCLCBKNXWZRS-OXJNMPFZSA-N 1 1 424.501 2.891 20 0 HFADMO C[C@H]1[C@@H](NC(=O)C(=O)Nc2cccc(C(F)(F)F)n2)CC[N@H+]1Cc1ccccc1 ZINC000807543311 1080758745 /nfs/dbraw/zinc/75/87/45/1080758745.db2.gz FINOVWVNOVGCGZ-ZFWWWQNUSA-N 1 1 406.408 2.818 20 0 HFADMO C[C@H]1[C@H](NC(=O)C(=O)Nc2ccc(Br)nc2)CC[N@H+]1Cc1ccccc1 ZINC000807542863 1080759174 /nfs/dbraw/zinc/75/91/74/1080759174.db2.gz FVTDJTTYNGMSJB-XJKSGUPXSA-N 1 1 417.307 2.562 20 0 HFADMO COC(=O)N(C)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000807543551 1080760930 /nfs/dbraw/zinc/76/09/30/1080760930.db2.gz IQESSYBYVMTGMS-UZLBHIALSA-N 1 1 424.501 2.607 20 0 HFADMO COC[C@@]1(CNC(=O)N2CCC[N@H+](C(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000807550373 1080765886 /nfs/dbraw/zinc/76/58/86/1080765886.db2.gz GERKRETXUWUUMJ-NRFANRHFSA-N 1 1 412.575 2.528 20 0 HFADMO COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2ccc(OC)c(Cl)c2)C[C@H]1c1ccc(O)cc1 ZINC001170527035 1080768540 /nfs/dbraw/zinc/76/85/40/1080768540.db2.gz CZPDXYPLSBTZPX-DLBZAZTESA-N 1 1 418.877 2.881 20 0 HFADMO COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2ccc(OC)c(Cl)c2)C[C@H]1c1ccc(O)cc1 ZINC001170527035 1080768550 /nfs/dbraw/zinc/76/85/50/1080768550.db2.gz CZPDXYPLSBTZPX-DLBZAZTESA-N 1 1 418.877 2.881 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)Nc2cnn(CC(C)C)c2C2CC2)cn1 ZINC000807521478 1080773356 /nfs/dbraw/zinc/77/33/56/1080773356.db2.gz GCVHBNXJCPDGPF-UHFFFAOYSA-N 1 1 407.478 2.883 20 0 HFADMO CON(Cc1ccccc1)C(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000807582560 1080793558 /nfs/dbraw/zinc/79/35/58/1080793558.db2.gz PZPHALCYLPFZTD-MJGOQNOKSA-N 1 1 401.532 2.837 20 0 HFADMO O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000747405380 1080797875 /nfs/dbraw/zinc/79/78/75/1080797875.db2.gz LUHCGLGMJLAINI-QGZVFWFLSA-N 1 1 415.431 2.707 20 0 HFADMO O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000747405380 1080797884 /nfs/dbraw/zinc/79/78/84/1080797884.db2.gz LUHCGLGMJLAINI-QGZVFWFLSA-N 1 1 415.431 2.707 20 0 HFADMO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC001176596557 1126150007 /nfs/dbraw/zinc/15/00/07/1126150007.db2.gz AYGNGCZYRMAOAN-FQEVSTJZSA-N 1 1 400.433 2.559 20 0 HFADMO CC(C)OCc1noc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC001196104771 1126153561 /nfs/dbraw/zinc/15/35/61/1126153561.db2.gz PPBJLLGVMALUBU-SFHVURJKSA-N 1 1 410.312 2.767 20 0 HFADMO OC[C@@]1([NH2+]Cc2nc(CC(F)(F)F)no2)CCc2cc(Br)ccc2C1 ZINC001307928044 1126162053 /nfs/dbraw/zinc/16/20/53/1126162053.db2.gz INPUMSXTJCEPQQ-OAHLLOKOSA-N 1 1 420.229 2.947 20 0 HFADMO CCN(C(C)=O)c1nc(C[NH2+][C@](C)(CO)Cc2ccc(OC)c(OC)c2)cs1 ZINC001474258362 1126204069 /nfs/dbraw/zinc/20/40/69/1126204069.db2.gz WCIFFBSIIICUIF-FQEVSTJZSA-N 1 1 407.536 2.616 20 0 HFADMO CCOC(=O)c1nnc(SC)nc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164620997 719068794 /nfs/dbraw/zinc/06/87/94/719068794.db2.gz FYGPYYRJISNVMG-DLBZAZTESA-N 1 1 413.547 2.871 20 0 HFADMO COC(=O)c1cc2cnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc2n1C ZINC001164629196 719095370 /nfs/dbraw/zinc/09/53/70/719095370.db2.gz RAPJFXFAAHKBQX-XLIONFOSSA-N 1 1 405.502 2.856 20 0 HFADMO C[C@@H]1CN(c2ncccc2C(=O)N2CCN(Cc3ccccc3)CC2)[C@@H](C)C[N@H+]1C ZINC001164643608 719218369 /nfs/dbraw/zinc/21/83/69/719218369.db2.gz ZPIKZRRSUGIPLL-UXHICEINSA-N 1 1 407.562 2.568 20 0 HFADMO C[C@@H]1CN([C@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3NC2=O)[C@@H](C)C[N@@H+]1C ZINC001164639425 719230317 /nfs/dbraw/zinc/23/03/17/719230317.db2.gz QCPOSLDTWFYKEP-QHRIQVFBSA-N 1 1 410.925 2.521 20 0 HFADMO C[C@@H]1CN([C@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3NC2=O)[C@@H](C)C[N@H+]1C ZINC001164639425 719230320 /nfs/dbraw/zinc/23/03/20/719230320.db2.gz QCPOSLDTWFYKEP-QHRIQVFBSA-N 1 1 410.925 2.521 20 0 HFADMO C[C@@H]1C[N@H+](C)[C@H](C)CN1[C@@]1(F)CN(C2CCCC2)c2nc(Cl)ncc2NC1=O ZINC001164639428 719230633 /nfs/dbraw/zinc/23/06/33/719230633.db2.gz QCPOSLDTWFYKEP-VPZZIHKRSA-N 1 1 410.925 2.521 20 0 HFADMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1[C@@]1(F)CN(C2CCCC2)c2nc(Cl)ncc2NC1=O ZINC001164639428 719230635 /nfs/dbraw/zinc/23/06/35/719230635.db2.gz QCPOSLDTWFYKEP-VPZZIHKRSA-N 1 1 410.925 2.521 20 0 HFADMO C[C@@H]1CN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)[C@@H](C)C[N@H+]1C ZINC000508342128 719236794 /nfs/dbraw/zinc/23/67/94/719236794.db2.gz TZOJGURVEMYNPY-CVEARBPZSA-N 1 1 415.607 2.931 20 0 HFADMO CC(C)n1nc(CN(C)C)c2c1CN(c1cc(OC3CC[NH+](C)CC3)ccn1)CC2 ZINC001164651795 719317060 /nfs/dbraw/zinc/31/70/60/719317060.db2.gz HXPCXLDOHUCRJJ-UHFFFAOYSA-N 1 1 412.582 2.956 20 0 HFADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(Cl)cc(O[C@@H]3CCOC3)n1)CC2 ZINC001164652674 719317993 /nfs/dbraw/zinc/31/79/93/719317993.db2.gz KRZWCGFCCAVYQX-CQSZACIVSA-N 1 1 420.945 2.699 20 0 HFADMO C[N@@H+](Cc1ccc(N2CCCn3nnc(COc4cccnc4)c3C2)nc1)C1CC1 ZINC001164654759 719328181 /nfs/dbraw/zinc/32/81/81/719328181.db2.gz MUENMANOAHENFW-UHFFFAOYSA-N 1 1 405.506 2.652 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)nc1Cl)CC2 ZINC001164684155 719699649 /nfs/dbraw/zinc/69/96/49/719699649.db2.gz NJZMUTNNGDAPIH-UHFFFAOYSA-N 1 1 408.280 2.509 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cc(Cl)nc(SC)n1)CC2 ZINC001164682426 719701136 /nfs/dbraw/zinc/70/11/36/719701136.db2.gz DUSRLJVCXQYINF-UHFFFAOYSA-N 1 1 419.929 2.578 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1cc(C)nc(-c3ccc(Cl)nc3)n1)CC2 ZINC001164689846 719751018 /nfs/dbraw/zinc/75/10/18/719751018.db2.gz LSOGXLQVXCPJGR-UHFFFAOYSA-N 1 1 414.941 2.681 20 0 HFADMO CC(C)N(C)C(=O)c1noc2c1CN(c1cc(OC3CC[NH+](C)CC3)ccn1)CC2 ZINC001164695221 719787616 /nfs/dbraw/zinc/78/76/16/719787616.db2.gz KNXHXNIGGAKXTO-UHFFFAOYSA-N 1 1 413.522 2.586 20 0 HFADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(N4CCOCC4)ncn2)CC3)cs1 ZINC001164692293 719804887 /nfs/dbraw/zinc/80/48/87/719804887.db2.gz MSNLPACGDMTANO-UHFFFAOYSA-N 1 1 414.579 2.713 20 0 HFADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc(Cl)c2C(N)=O)CC3)cs1 ZINC001164692923 719810545 /nfs/dbraw/zinc/81/05/45/719810545.db2.gz NTHVRXKZORRDHI-UHFFFAOYSA-N 1 1 406.943 2.629 20 0 HFADMO Cc1nc(C[N@@H+]2CCCC23CCN(c2cncc(C(=O)N(C)C)n2)CC3)cs1 ZINC001164692218 719814585 /nfs/dbraw/zinc/81/45/85/719814585.db2.gz OPLFEXAVMZXFHS-UHFFFAOYSA-N 1 1 400.552 2.578 20 0 HFADMO COC[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)Cc2cn(C)nc21 ZINC001164694941 719831404 /nfs/dbraw/zinc/83/14/04/719831404.db2.gz JNJKIGSQCIMBNM-IBGZPJMESA-N 1 1 404.518 2.519 20 0 HFADMO COC[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)Cc2cn(C)nc21 ZINC001164694941 719831406 /nfs/dbraw/zinc/83/14/06/719831406.db2.gz JNJKIGSQCIMBNM-IBGZPJMESA-N 1 1 404.518 2.519 20 0 HFADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)c2ccccc21 ZINC001164697271 719843314 /nfs/dbraw/zinc/84/33/14/719843314.db2.gz CGIWACMEJQNBGM-JLTOFOAXSA-N 1 1 404.898 2.516 20 0 HFADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c(C)cccc21 ZINC001164704572 719849118 /nfs/dbraw/zinc/84/91/18/719849118.db2.gz RWCYMTGBYRGVGM-BTYIYWSLSA-N 1 1 418.925 2.824 20 0 HFADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2cc(Cl)ccc21 ZINC001164705209 719849532 /nfs/dbraw/zinc/84/95/32/719849532.db2.gz SVULJJVJXQIGGV-YWZLYKJASA-N 1 1 404.898 2.516 20 0 HFADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c(F)cccc21 ZINC001164707002 719851449 /nfs/dbraw/zinc/85/14/49/719851449.db2.gz ZVPQRIZFJVHGAI-RBZFPXEDSA-N 1 1 422.888 2.655 20 0 HFADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2ccc(C(C)C)cc21 ZINC001164705064 719869484 /nfs/dbraw/zinc/86/94/84/719869484.db2.gz NHJXUDSGTPHNGY-WZONZLPQSA-N 1 1 412.534 2.986 20 0 HFADMO COC(=O)c1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc1OC ZINC001164694642 719887312 /nfs/dbraw/zinc/88/73/12/719887312.db2.gz BOSQBVQYRCOFHE-UHFFFAOYSA-N 1 1 417.531 2.810 20 0 HFADMO COC(=O)Cc1cccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164696153 719891114 /nfs/dbraw/zinc/89/11/14/719891114.db2.gz ZVUWSPTXFDKNJL-UHFFFAOYSA-N 1 1 401.532 2.730 20 0 HFADMO COC(=O)c1nc(Cl)cnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164699304 719893022 /nfs/dbraw/zinc/89/30/22/719893022.db2.gz ZMLXTKLAWQOBJT-UHFFFAOYSA-N 1 1 422.938 2.850 20 0 HFADMO COC(=O)c1nc(Cl)cnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164699304 719893024 /nfs/dbraw/zinc/89/30/24/719893024.db2.gz ZMLXTKLAWQOBJT-UHFFFAOYSA-N 1 1 422.938 2.850 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc3cc(OC)c(OC)cc3n1)C2 ZINC001164807034 720109319 /nfs/dbraw/zinc/10/93/19/720109319.db2.gz ANAWYHMUBUACED-SBUREZEXSA-N 1 1 412.534 2.832 20 0 HFADMO CCOC(=O)c1ccc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COC)c2c1 ZINC001164815399 720115747 /nfs/dbraw/zinc/11/57/47/720115747.db2.gz VENAHILOLFWRBF-NTKDMRAZSA-N 1 1 424.545 2.991 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3)nc(N(C)C)n1)C2 ZINC001164808087 720133539 /nfs/dbraw/zinc/13/35/39/720133539.db2.gz DLONKKLOWHVFIE-YKSBVNFPSA-N 1 1 422.577 2.789 20 0 HFADMO CCOC(=O)c1cc2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)[nH]c-2n1 ZINC001164813885 720143410 /nfs/dbraw/zinc/14/34/10/720143410.db2.gz RLGGUZYAOLIWJU-MBSDFSHPSA-N 1 1 412.534 2.924 20 0 HFADMO CCOC(=O)c1cc2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COC)nc2[nH]1 ZINC001164813885 720143417 /nfs/dbraw/zinc/14/34/17/720143417.db2.gz RLGGUZYAOLIWJU-MBSDFSHPSA-N 1 1 412.534 2.924 20 0 HFADMO CCOC(=O)c1cc2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)nc2[nH]1 ZINC001164813885 720143426 /nfs/dbraw/zinc/14/34/26/720143426.db2.gz RLGGUZYAOLIWJU-MBSDFSHPSA-N 1 1 412.534 2.924 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C(=O)NC(C)(C)C)ccn1)C2 ZINC001164813799 720147915 /nfs/dbraw/zinc/14/79/15/720147915.db2.gz QQUKIWYVOUAEEA-CVDCTZTESA-N 1 1 400.567 2.795 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1nc(C)n3C)C2 ZINC001164819433 720157872 /nfs/dbraw/zinc/15/78/72/720157872.db2.gz XBBPTUAKNKDTFL-FOIQADDNSA-N 1 1 404.946 2.510 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4c(F)cccc34)C2)C1 ZINC001164724627 720305812 /nfs/dbraw/zinc/30/58/12/720305812.db2.gz SFLFRAJIEGJRLB-OAQYLSRUSA-N 1 1 420.916 2.692 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4c(F)cccc34)C2)C1 ZINC001164724627 720305818 /nfs/dbraw/zinc/30/58/18/720305818.db2.gz SFLFRAJIEGJRLB-OAQYLSRUSA-N 1 1 420.916 2.692 20 0 HFADMO Cc1cc(NC(=O)c2cccnc2N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)no1 ZINC001164734795 720431303 /nfs/dbraw/zinc/43/13/03/720431303.db2.gz UOFHDYRTDSXWKC-RBUKOAKNSA-N 1 1 404.474 2.879 20 0 HFADMO CN(C)c1cc(C(F)(F)N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc(Cl)n1 ZINC001164726347 720474059 /nfs/dbraw/zinc/47/40/59/720474059.db2.gz LJSHZHSTWBNFLJ-GJZGRUSLSA-N 1 1 408.884 2.989 20 0 HFADMO CN(C)c1cc(C(F)(F)N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc(Cl)n1 ZINC001164726347 720474062 /nfs/dbraw/zinc/47/40/62/720474062.db2.gz LJSHZHSTWBNFLJ-GJZGRUSLSA-N 1 1 408.884 2.989 20 0 HFADMO CC(C)OC(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nn1 ZINC001164840062 720520099 /nfs/dbraw/zinc/52/00/99/720520099.db2.gz WFPHCMCYYNBKIR-CMKODMSKSA-N 1 1 412.538 2.616 20 0 HFADMO CCOC(=O)c1cc(C)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164838412 720524036 /nfs/dbraw/zinc/52/40/36/720524036.db2.gz QTHQMNBEXKVNHP-NLWGTHIKSA-N 1 1 412.538 2.536 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4c3ncn4C)CC[C@@H]21 ZINC001164836400 720529319 /nfs/dbraw/zinc/52/93/19/720529319.db2.gz JYHTYSYNXCLFSS-JYJNAYRXSA-N 1 1 414.945 2.591 20 0 HFADMO CCOC(=O)c1ncnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1C ZINC001164835826 720556334 /nfs/dbraw/zinc/55/63/34/720556334.db2.gz IALSGIUGFUQGKX-IPMKNSEASA-N 1 1 412.538 2.536 20 0 HFADMO COc1cnc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164841637 720584944 /nfs/dbraw/zinc/58/49/44/720584944.db2.gz TZTGJRQRSIKDBY-SQGPQFPESA-N 1 1 407.522 2.608 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN([C@H](F)Oc3ccc(Cl)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841999 720649372 /nfs/dbraw/zinc/64/93/72/720649372.db2.gz ROJFMYCKGSGTRH-OLMMMNRUSA-N 1 1 408.909 2.832 20 0 HFADMO CCOC(=O)c1ccc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nn1 ZINC001164837024 720671081 /nfs/dbraw/zinc/67/10/81/720671081.db2.gz AVDAEAPYRVQXBW-IBGZPJMESA-N 1 1 410.518 2.913 20 0 HFADMO Fc1cccc2c1nc(Cl)nc2N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164736787 720682507 /nfs/dbraw/zinc/68/25/07/720682507.db2.gz BGFATUYBOORDRX-QWHCGFSZSA-N 1 1 400.845 2.554 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc3c1NC(=O)CO3)CC2 ZINC001164840461 720692968 /nfs/dbraw/zinc/69/29/68/720692968.db2.gz DZXRIOLYWFHZHT-SFHVURJKSA-N 1 1 408.502 2.672 20 0 HFADMO COCc1nc(OC)cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164837655 720726330 /nfs/dbraw/zinc/72/63/30/720726330.db2.gz FULAGWVFOLONTJ-IBGZPJMESA-N 1 1 412.534 2.892 20 0 HFADMO Fc1cccc(Oc2cncc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)c1 ZINC001164739426 720734102 /nfs/dbraw/zinc/73/41/02/720734102.db2.gz IOTYLPKFXAUJMZ-FUHWJXTLSA-N 1 1 408.437 2.540 20 0 HFADMO c1ccc2c(c1)cc(N1CCCC1)nc2N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745845 720772219 /nfs/dbraw/zinc/77/22/19/720772219.db2.gz WAQXGFHHKUTZCT-UXHICEINSA-N 1 1 416.529 2.967 20 0 HFADMO Clc1cnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(-c2ccccc2)n1 ZINC001164738571 720778239 /nfs/dbraw/zinc/77/82/39/720778239.db2.gz GBJOXYHMUSUGKY-DLBZAZTESA-N 1 1 408.893 2.929 20 0 HFADMO c1ccc(CSc2cc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)ncn2)cc1 ZINC001164746075 720788514 /nfs/dbraw/zinc/78/85/14/720788514.db2.gz LSWBFLSYPFMKME-MOPGFXCFSA-N 1 1 420.542 2.901 20 0 HFADMO c1ccc(CSc2ccnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164746696 720797926 /nfs/dbraw/zinc/79/79/26/720797926.db2.gz MQJYXACDJXPHPZ-MOPGFXCFSA-N 1 1 420.542 2.901 20 0 HFADMO Cc1cnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1-c1ccccc1F ZINC001164745513 720802339 /nfs/dbraw/zinc/80/23/39/720802339.db2.gz KQUUANLJUXOCEE-IRXDYDNUSA-N 1 1 406.465 2.723 20 0 HFADMO Cc1nc2ccsc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164750049 720809361 /nfs/dbraw/zinc/80/93/61/720809361.db2.gz VBZCJCANBGSZOO-JENIJYKNSA-N 1 1 409.563 2.971 20 0 HFADMO CCOC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1C ZINC001164743369 720809932 /nfs/dbraw/zinc/80/99/32/720809932.db2.gz FQUFLADRYJMKPI-SFHLNBCPSA-N 1 1 424.549 2.538 20 0 HFADMO FC(F)(c1cnc(Cl)cn1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747485 720813726 /nfs/dbraw/zinc/81/37/26/720813726.db2.gz OEJLITSLFIQWSE-BZUAXINKSA-N 1 1 423.899 2.646 20 0 HFADMO COc1cc(Cl)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748335 720815296 /nfs/dbraw/zinc/81/52/96/720815296.db2.gz QTDMQZUQPYXKSQ-CGTJXYLNSA-N 1 1 402.930 2.715 20 0 HFADMO Clc1ccc2c(ncnc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164742099 720816335 /nfs/dbraw/zinc/81/63/35/720816335.db2.gz PUBJANSCYPEJBY-LZLYRXPVSA-N 1 1 424.940 2.649 20 0 HFADMO COc1ccc2cnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1 ZINC001164741774 720821699 /nfs/dbraw/zinc/82/16/99/720821699.db2.gz OFTWBRHPOOHGRZ-CNNODRBYSA-N 1 1 419.533 2.609 20 0 HFADMO CSc1nc(Cl)ncc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745115 720828489 /nfs/dbraw/zinc/82/84/89/720828489.db2.gz WJYIZRZOWIPBED-BZUAXINKSA-N 1 1 419.986 2.823 20 0 HFADMO COc1ccc(Cl)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164746746 720829649 /nfs/dbraw/zinc/82/96/49/720829649.db2.gz YTZZNGVYZJXHDE-JFIYKMOQSA-N 1 1 402.930 2.715 20 0 HFADMO Cc1[nH]c2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1C ZINC001164737384 720830654 /nfs/dbraw/zinc/83/06/54/720830654.db2.gz AQDANPSLYDOKDO-GUDVDZBRSA-N 1 1 406.538 2.546 20 0 HFADMO COc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ncc2c1 ZINC001164742082 720831581 /nfs/dbraw/zinc/83/15/81/720831581.db2.gz PRVRBNSQPJTESM-CNNODRBYSA-N 1 1 419.533 2.609 20 0 HFADMO Fc1cccc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164749395 720832904 /nfs/dbraw/zinc/83/29/04/720832904.db2.gz VTQLIFZSEYGIGP-ABSDTBQOSA-N 1 1 407.497 2.740 20 0 HFADMO Fc1ccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ncc2c1 ZINC001164748048 720840404 /nfs/dbraw/zinc/84/04/04/720840404.db2.gz SIXMLXJBQADMHP-SLYNCCJLSA-N 1 1 407.497 2.740 20 0 HFADMO Cc1csc2cnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc12 ZINC001164741699 720843242 /nfs/dbraw/zinc/84/32/42/720843242.db2.gz FNLHQICGCZNXAL-RCCFBDPRSA-N 1 1 409.563 2.971 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(Cl)nc(Cc4ccccc4)n3)CC[C@@H]2C1 ZINC001164849298 720849504 /nfs/dbraw/zinc/84/95/04/720849504.db2.gz BYGQOCCNFUFBRU-RTBURBONSA-N 1 1 416.953 2.894 20 0 HFADMO CC(C)OC(=O)c1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747176 720856752 /nfs/dbraw/zinc/85/67/52/720856752.db2.gz IAUHRGKEOTWVGM-SFHLNBCPSA-N 1 1 424.549 2.618 20 0 HFADMO COc1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755741 720871570 /nfs/dbraw/zinc/87/15/70/720871570.db2.gz YOYZWJXIUDCECM-NFBKMPQASA-N 1 1 409.534 2.635 20 0 HFADMO CN(C)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164748037 720872582 /nfs/dbraw/zinc/87/25/82/720872582.db2.gz DMUQVXCOEWWDEW-ZJSXRUAMSA-N 1 1 422.577 2.693 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(-c4cccnc4)nc4ccccc43)CC[C@H]2C1 ZINC001164861280 720874591 /nfs/dbraw/zinc/87/45/91/720874591.db2.gz PLCXCEILPIRTDY-UGKGYDQZSA-N 1 1 419.529 2.865 20 0 HFADMO [O-][n+]1cc(F)ccc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755473 720880628 /nfs/dbraw/zinc/88/06/28/720880628.db2.gz XMMYALWWHZDBOF-NZQKXSOJSA-N 1 1 412.509 2.609 20 0 HFADMO [O-][n+]1cc(F)ccc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755474 720880702 /nfs/dbraw/zinc/88/07/02/720880702.db2.gz XMMYALWWHZDBOF-OFNKIYASSA-N 1 1 412.509 2.609 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nccc(Oc4ccc(F)cc4)n3)CC[C@H]2C1 ZINC001164862199 720880817 /nfs/dbraw/zinc/88/08/17/720880817.db2.gz RGAPVUMFSQYDGQ-QFBILLFUSA-N 1 1 402.470 2.582 20 0 HFADMO [O-][n+]1cc(F)ccc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755475 720880857 /nfs/dbraw/zinc/88/08/57/720880857.db2.gz XMMYALWWHZDBOF-REWPJTCUSA-N 1 1 412.509 2.609 20 0 HFADMO COc1cncnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749947 720880980 /nfs/dbraw/zinc/88/09/80/720880980.db2.gz IEHWEPJXVULDCA-NFBKMPQASA-N 1 1 409.534 2.635 20 0 HFADMO CN(C)c1nccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753857 720884255 /nfs/dbraw/zinc/88/42/55/720884255.db2.gz HIZVVQPZEOFUAQ-URXFXBBRSA-N 1 1 422.577 2.693 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(C(F)F)nc4ccc(F)cc43)CC[C@@H]2C1 ZINC001164858459 720886205 /nfs/dbraw/zinc/88/62/05/720886205.db2.gz KXSBZDAZNIRSQF-DYVFJYSZSA-N 1 1 410.440 2.880 20 0 HFADMO COc1ncnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C ZINC001164756289 720887366 /nfs/dbraw/zinc/88/73/66/720887366.db2.gz PDBWHHLHQLHJHU-XUZZJYLKSA-N 1 1 423.561 2.944 20 0 HFADMO COCc1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164746510 720932272 /nfs/dbraw/zinc/93/22/72/720932272.db2.gz BFAGEHGYUOAXQM-XUZZJYLKSA-N 1 1 423.561 2.773 20 0 HFADMO CC(C)(C)OC(=O)c1ccnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164867687 721057183 /nfs/dbraw/zinc/05/71/83/721057183.db2.gz JRMWYWQPXGLQJV-PMACEKPBSA-N 1 1 410.518 2.912 20 0 HFADMO COCc1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(-c2ccccc2)n1 ZINC001164766582 721081217 /nfs/dbraw/zinc/08/12/17/721081217.db2.gz KWQUWFHSYIQQHF-LEWJYISDSA-N 1 1 418.545 2.982 20 0 HFADMO Clc1nc2ncsc2c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164863316 721092010 /nfs/dbraw/zinc/09/20/10/721092010.db2.gz BSJSVANCWANCPH-KGLIPLIRSA-N 1 1 402.911 2.614 20 0 HFADMO Nc1cc(Cl)ncc1C(F)(F)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867634 721094140 /nfs/dbraw/zinc/09/41/40/721094140.db2.gz YZBUSVUDPSWTJM-CABCVRRESA-N 1 1 409.868 2.737 20 0 HFADMO Nc1cc(Cl)nc(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164866008 721103150 /nfs/dbraw/zinc/10/31/50/721103150.db2.gz RADXAHJNYAUUOS-HZPDHXFCSA-N 1 1 409.868 2.737 20 0 HFADMO c1ccc(COc2cnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)cn2)cc1 ZINC001164863737 721121325 /nfs/dbraw/zinc/12/13/25/721121325.db2.gz DALKTZPPZICYGZ-VXKWHMMOSA-N 1 1 417.513 2.930 20 0 HFADMO COc1cccc2c1nc(Cl)nc2N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164762085 721128376 /nfs/dbraw/zinc/12/83/76/721128376.db2.gz BVIQFHWHFLTZHA-JKSUJKDBSA-N 1 1 412.925 2.984 20 0 HFADMO Cc1nc(-c2ccncc2)cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164876521 721160755 /nfs/dbraw/zinc/16/07/55/721160755.db2.gz MZWOOWGUOXZKBK-NHCUHLMSSA-N 1 1 402.502 2.722 20 0 HFADMO COC(=O)c1cccc2nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)ccc21 ZINC001164869790 721170150 /nfs/dbraw/zinc/17/01/50/721170150.db2.gz BPZUQZKSMDHWQJ-MOPGFXCFSA-N 1 1 418.497 2.896 20 0 HFADMO c1cncc(CO[C@H]2C[C@@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CC[N@H+]3C2)c1 ZINC001164877022 721175542 /nfs/dbraw/zinc/17/55/42/721175542.db2.gz NYRYRBCZNHKSTJ-UXHICEINSA-N 1 1 418.501 2.884 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc5c(n4)-c4ccccc4CC5)C[C@@H]3C2)cn1 ZINC001164772909 721178162 /nfs/dbraw/zinc/17/81/62/721178162.db2.gz VZLVFLLFQLXQTQ-RTWAWAEBSA-N 1 1 400.530 2.934 20 0 HFADMO COc1ccc(-c2ccc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nn2)cc1 ZINC001164761999 721194281 /nfs/dbraw/zinc/19/42/81/721194281.db2.gz BQMJJUMUGOMARE-UXHICEINSA-N 1 1 404.518 2.844 20 0 HFADMO COc1ccccc1-c1ccc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nn1 ZINC001164770793 721201543 /nfs/dbraw/zinc/20/15/43/721201543.db2.gz OKLJVQWPNYJFEH-RBUKOAKNSA-N 1 1 404.518 2.844 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4nc5ccc(Cl)nc5[nH]4)C[C@@H]3C2)cn1 ZINC001164770819 721212579 /nfs/dbraw/zinc/21/25/79/721212579.db2.gz ORRSYWAZJRXSEC-KBPBESRZSA-N 1 1 421.883 2.848 20 0 HFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nccc4cccc(Cl)c43)CC2)C1 ZINC001164874315 721275198 /nfs/dbraw/zinc/27/51/98/721275198.db2.gz PWMIEOCYSXDUOA-UHFFFAOYSA-N 1 1 416.953 2.895 20 0 HFADMO C[N@@H+](Cc1ccc(N(c2ccccn2)c2ccnc([C@@H]3COCCN3)n2)nc1)C1CC1 ZINC001164876891 721329949 /nfs/dbraw/zinc/32/99/49/721329949.db2.gz RLKAGPLWTBVOQT-IBGZPJMESA-N 1 1 417.517 2.992 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4ncccc43)C2)C1 ZINC001164777644 721338055 /nfs/dbraw/zinc/33/80/55/721338055.db2.gz OWBMMSXBOZFVLB-QFIPXVFZSA-N 1 1 408.506 2.749 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)nc4[nH]ccc43)C2)C1 ZINC001164777394 721340602 /nfs/dbraw/zinc/34/06/02/721340602.db2.gz GPCNKKUTVRRXGQ-QFIPXVFZSA-N 1 1 410.522 2.990 20 0 HFADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CC[C@]3(CC(=O)N(c4cnn(C)c4)C3)C2)nc1 ZINC001164886794 721373843 /nfs/dbraw/zinc/37/38/43/721373843.db2.gz NXGHNHVKKFEKMS-REWPJTCUSA-N 1 1 408.550 2.995 20 0 HFADMO Cc1nc2sccc2c(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164888597 721379042 /nfs/dbraw/zinc/37/90/42/721379042.db2.gz KHBRPCLDRQNONH-UTKZUKDTSA-N 1 1 401.580 2.765 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN([C@@H](F)Oc4ccnc(Cl)c4)C3)O2)CC1 ZINC001164886304 721398524 /nfs/dbraw/zinc/39/85/24/721398524.db2.gz DZKCLVAJQNWCGL-SXLOBPIMSA-N 1 1 412.937 2.628 20 0 HFADMO Cc1c[nH]c2nc(Cl)nc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c12 ZINC001164892524 721400065 /nfs/dbraw/zinc/40/00/65/721400065.db2.gz YQAKAAYKEZJCJI-IIBYNOLFSA-N 1 1 418.973 2.685 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)cnc4Cl)C3)O2)CC1 ZINC001164884006 721406798 /nfs/dbraw/zinc/40/67/98/721406798.db2.gz CUCRECPWUKMOAD-RDTXWAMCSA-N 1 1 400.354 2.549 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN([C@@H](F)Oc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164883902 721411946 /nfs/dbraw/zinc/41/19/46/721411946.db2.gz CLLCQBKQQKFCMI-SXLOBPIMSA-N 1 1 412.937 2.628 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5ncsc54)C3)O2)CC1 ZINC001164886558 721413577 /nfs/dbraw/zinc/41/35/77/721413577.db2.gz JXJOEVZWTHZOTG-KUHUBIRLSA-N 1 1 422.986 2.505 20 0 HFADMO CC(C)COc1cccc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164897775 721428371 /nfs/dbraw/zinc/42/83/71/721428371.db2.gz URUNZTGJWCOVIM-OFNKIYASSA-N 1 1 402.583 2.882 20 0 HFADMO FC(F)(COc1cncc(Cl)n1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164790982 721428633 /nfs/dbraw/zinc/42/86/33/721428633.db2.gz YVUGSXWBWFYIMS-RYUDHWBXSA-N 1 1 401.870 2.622 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(C5CC5)nc5[nH]ccc54)C3)O2)CC1 ZINC001164886021 721447881 /nfs/dbraw/zinc/44/78/81/721447881.db2.gz GCSQNLUIGPFBLQ-WZONZLPQSA-N 1 1 410.566 2.601 20 0 HFADMO CCOc1cncc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164789363 721448463 /nfs/dbraw/zinc/44/84/63/721448463.db2.gz UYBJXYSDEQGNGP-IBGZPJMESA-N 1 1 404.555 2.609 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)ncc1OC)CC2 ZINC001164789449 721450688 /nfs/dbraw/zinc/45/06/88/721450688.db2.gz WISQFDPWEJXFDV-KRWDZBQOSA-N 1 1 424.973 2.873 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc5c(nc4Cl)CCCC5)C3)O2)CC1 ZINC001164888402 721451625 /nfs/dbraw/zinc/45/16/25/721451625.db2.gz LXXDCOZGYVPQRB-VGSWGCGISA-N 1 1 420.001 2.774 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncccc1C(=O)OC)CC2 ZINC001164785228 721453328 /nfs/dbraw/zinc/45/33/28/721453328.db2.gz HNUVHOIAQVOZFQ-IBGZPJMESA-N 1 1 417.550 2.602 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3ncsc3n1)CC2 ZINC001164786850 721462330 /nfs/dbraw/zinc/46/23/30/721462330.db2.gz PVXMZKRDIDKGGT-QGZVFWFLSA-N 1 1 417.579 2.820 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3c(nn1)CCC3)CC2 ZINC001164791240 721470845 /nfs/dbraw/zinc/47/08/45/721470845.db2.gz VSLZVBXRLZXKAP-HXUWFJFHSA-N 1 1 400.567 2.699 20 0 HFADMO CC(C)C(=O)N[C@@H]1COCCC12CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)CC2 ZINC001164896091 721502200 /nfs/dbraw/zinc/50/22/00/721502200.db2.gz HABSBELLRFDVFD-HXUWFJFHSA-N 1 1 400.567 2.824 20 0 HFADMO COC(=O)c1ccc2nc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)ncc2c1 ZINC001164896986 721518327 /nfs/dbraw/zinc/51/83/27/721518327.db2.gz DESMKVDMIRQKIJ-QUCCMNQESA-N 1 1 422.460 2.897 20 0 HFADMO COC(=O)c1cc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164811117 721531331 /nfs/dbraw/zinc/53/13/31/721531331.db2.gz YRIZYXKTPJZNTP-ZWOKBUDYSA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1cc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164811117 721531336 /nfs/dbraw/zinc/53/13/36/721531336.db2.gz YRIZYXKTPJZNTP-ZWOKBUDYSA-N 1 1 416.909 2.785 20 0 HFADMO CC(C)(C)OC(=O)c1ccnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164903420 721540912 /nfs/dbraw/zinc/54/09/12/721540912.db2.gz CLEWJYVAGMOJGQ-SJLPKXTDSA-N 1 1 414.481 2.913 20 0 HFADMO CCOC(=O)c1ncnc(Cl)c1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908165 721549956 /nfs/dbraw/zinc/54/99/56/721549956.db2.gz PICDRKCGAIBWLA-ZBFHGGJFSA-N 1 1 420.872 2.788 20 0 HFADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc[nH]c5nc(=S)sc4-5)CC[N@H+]3C2)c1 ZINC001164906831 721550017 /nfs/dbraw/zinc/55/00/17/721550017.db2.gz LMVYHNBDPIWHCS-TZMCWYRMSA-N 1 1 403.508 2.856 20 0 HFADMO CCOC(=O)c1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ncc1C ZINC001164801812 721559527 /nfs/dbraw/zinc/55/95/27/721559527.db2.gz HHNVYNMBASBMBY-URVUXULASA-N 1 1 410.518 2.830 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(-c3cccnc3F)n2)[C@@H]2CCCO[C@H]12 ZINC001164810693 721568138 /nfs/dbraw/zinc/56/81/38/721568138.db2.gz ZWNMQIHQJBQHPS-NJYVYQBISA-N 1 1 420.492 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(-c3cccnc3F)n2)[C@@H]2CCCO[C@H]12 ZINC001164810693 721568143 /nfs/dbraw/zinc/56/81/43/721568143.db2.gz ZWNMQIHQJBQHPS-NJYVYQBISA-N 1 1 420.492 2.941 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN([C@H](F)Oc2ccc(Cl)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164800073 721591179 /nfs/dbraw/zinc/59/11/79/721591179.db2.gz BNTVDHXZDAEDPY-RGCFKVTRSA-N 1 1 407.877 2.521 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN([C@H](F)Oc2ccc(Cl)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164800073 721591180 /nfs/dbraw/zinc/59/11/80/721591180.db2.gz BNTVDHXZDAEDPY-RGCFKVTRSA-N 1 1 407.877 2.521 20 0 HFADMO O=C1COc2nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)ccc2N1 ZINC001164907843 721704545 /nfs/dbraw/zinc/70/45/45/721704545.db2.gz UTWNJHYPVKSCDW-FQEVSTJZSA-N 1 1 415.444 2.545 20 0 HFADMO NC(=O)c1ccc(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904979 721705876 /nfs/dbraw/zinc/70/58/76/721705876.db2.gz GFYNEGWYBVLJLO-LJQANCHMSA-N 1 1 421.879 2.967 20 0 HFADMO CCOC(=O)c1cnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)cn1 ZINC001164909583 721753202 /nfs/dbraw/zinc/75/32/02/721753202.db2.gz ITCUIEORQZWEHD-UHFFFAOYSA-N 1 1 407.474 2.836 20 0 HFADMO CCOC(=O)c1cnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)cn1 ZINC001164909583 721753207 /nfs/dbraw/zinc/75/32/07/721753207.db2.gz ITCUIEORQZWEHD-UHFFFAOYSA-N 1 1 407.474 2.836 20 0 HFADMO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3CCNC4)C[C@@H]21 ZINC001165026623 721804171 /nfs/dbraw/zinc/80/41/71/721804171.db2.gz ROLFYEFPJJAWDU-ZAAXVRCTSA-N 1 1 412.969 2.908 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3CCNC4)C[C@@H]21 ZINC001165026623 721804173 /nfs/dbraw/zinc/80/41/73/721804173.db2.gz ROLFYEFPJJAWDU-ZAAXVRCTSA-N 1 1 412.969 2.908 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C(=O)NC4CC4)nn3)C[C@H]21 ZINC001165030199 721827113 /nfs/dbraw/zinc/82/71/13/721827113.db2.gz YTQALYIZMJZERE-OZOXKJRCSA-N 1 1 406.534 2.501 20 0 HFADMO CON(C)C(=O)c1ccnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165022434 721827199 /nfs/dbraw/zinc/82/71/99/721827199.db2.gz HEUJRZVEIWOAIQ-CEWLAPEOSA-N 1 1 409.534 2.847 20 0 HFADMO CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(c1ccc(C[N@@H+](C)C3CC3)cn1)C2 ZINC001164920694 721836836 /nfs/dbraw/zinc/83/68/36/721836836.db2.gz APEFEWFASFTRRY-NFBKMPQASA-N 1 1 408.550 2.730 20 0 HFADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc2c(Cl)nc(Cl)nc21 ZINC001164925703 721855256 /nfs/dbraw/zinc/85/52/56/721855256.db2.gz FQKWBKYAHLJGHN-NXEZZACHSA-N 1 1 416.744 2.595 20 0 HFADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc2c(Cl)nc(Cl)nc21 ZINC001164925703 721855259 /nfs/dbraw/zinc/85/52/59/721855259.db2.gz FQKWBKYAHLJGHN-NXEZZACHSA-N 1 1 416.744 2.595 20 0 HFADMO COc1cc2nc(Cl)nc(N3CC[C@H]4[C@H]3CC[N@H+]4CCN(C)C)c2cc1OC ZINC001164925760 721858635 /nfs/dbraw/zinc/85/86/35/721858635.db2.gz FXLVXZFDSDZYMU-JKSUJKDBSA-N 1 1 405.930 2.515 20 0 HFADMO COc1cc2nc(Cl)nc(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)c2cc1OC ZINC001164925760 721858639 /nfs/dbraw/zinc/85/86/39/721858639.db2.gz FXLVXZFDSDZYMU-JKSUJKDBSA-N 1 1 405.930 2.515 20 0 HFADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001164932243 721861282 /nfs/dbraw/zinc/86/12/82/721861282.db2.gz XRZGZTINOZTFEA-IAGOWNOFSA-N 1 1 417.941 2.675 20 0 HFADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001164932243 721861283 /nfs/dbraw/zinc/86/12/83/721861283.db2.gz XRZGZTINOZTFEA-IAGOWNOFSA-N 1 1 417.941 2.675 20 0 HFADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ncnc2c1ccn2Cc1cccc(F)c1 ZINC001164927935 721866681 /nfs/dbraw/zinc/86/66/81/721866681.db2.gz XGQQDMDARFNSOH-RTWAWAEBSA-N 1 1 408.525 2.833 20 0 HFADMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ncnc2c1ccn2Cc1cccc(F)c1 ZINC001164927935 721866682 /nfs/dbraw/zinc/86/66/82/721866682.db2.gz XGQQDMDARFNSOH-RTWAWAEBSA-N 1 1 408.525 2.833 20 0 HFADMO COc1ccc(Cc2c(C)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4CCN(C)C)nc2C)cc1 ZINC001164931971 721887034 /nfs/dbraw/zinc/88/70/34/721887034.db2.gz GXELKADEYPUSSH-XZOQPEGZSA-N 1 1 409.578 2.907 20 0 HFADMO COc1ccc(Cc2c(C)nc(N3CC[C@H]4[C@H]3CC[N@H+]4CCN(C)C)nc2C)cc1 ZINC001164931971 721887035 /nfs/dbraw/zinc/88/70/35/721887035.db2.gz GXELKADEYPUSSH-XZOQPEGZSA-N 1 1 409.578 2.907 20 0 HFADMO COc1ccc(Cc2c(C)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4CCN(C)C)nc2C)cc1 ZINC001164931953 721887160 /nfs/dbraw/zinc/88/71/60/721887160.db2.gz GXELKADEYPUSSH-DHIUTWEWSA-N 1 1 409.578 2.907 20 0 HFADMO COc1ccc(Cc2c(C)nc(N3CC[C@@H]4[C@H]3CC[N@H+]4CCN(C)C)nc2C)cc1 ZINC001164931953 721887162 /nfs/dbraw/zinc/88/71/62/721887162.db2.gz GXELKADEYPUSSH-DHIUTWEWSA-N 1 1 409.578 2.907 20 0 HFADMO O=C(NCc1ccccc1)c1cc(Cl)nc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC001165038643 721904023 /nfs/dbraw/zinc/90/40/23/721904023.db2.gz MYMQBBZZBKJIPU-IBGZPJMESA-N 1 1 414.937 2.966 20 0 HFADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3ccoc31)CC2 ZINC001164946743 721970316 /nfs/dbraw/zinc/97/03/16/721970316.db2.gz VRXLASYLKBGWJB-UHFFFAOYSA-N 1 1 411.893 2.847 20 0 HFADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3ccoc31)CC2 ZINC001164946743 721970330 /nfs/dbraw/zinc/97/03/30/721970330.db2.gz VRXLASYLKBGWJB-UHFFFAOYSA-N 1 1 411.893 2.847 20 0 HFADMO CN(C)C(=O)N[C@H]1CCO[C@@]2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C2)C1 ZINC001164954855 722009361 /nfs/dbraw/zinc/00/93/61/722009361.db2.gz PGNVTYILKDUNJX-UWJYYQICSA-N 1 1 421.973 2.730 20 0 HFADMO CON(C)C(=O)c1cc(C)cnc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164956204 722020578 /nfs/dbraw/zinc/02/05/78/722020578.db2.gz XZYVNQWNLXAREZ-UHFFFAOYSA-N 1 1 409.534 2.911 20 0 HFADMO COC(=O)c1ccnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1C ZINC001164964843 722054416 /nfs/dbraw/zinc/05/44/16/722054416.db2.gz YNABAYGTPXFKSJ-UHFFFAOYSA-N 1 1 410.518 2.691 20 0 HFADMO c1cc(C[N@H+]2CCOCC3(CCN(c4ccnc(N5CCCCC5)n4)CC3)C2)ccn1 ZINC001164962207 722059400 /nfs/dbraw/zinc/05/94/00/722059400.db2.gz PUQOJIUUAQFJBS-UHFFFAOYSA-N 1 1 422.577 2.981 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ccc(N5CCCCC5)nn4)CC[C@H]3C2)c1 ZINC001164984053 722099720 /nfs/dbraw/zinc/09/97/20/722099720.db2.gz ROUQWTURJZFLBU-LEWJYISDSA-N 1 1 408.550 2.589 20 0 HFADMO FC(F)(c1cnc(Cl)cn1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976324 722103089 /nfs/dbraw/zinc/10/30/89/722103089.db2.gz CPKRZQWLSNUEGJ-CVEARBPZSA-N 1 1 409.868 2.797 20 0 HFADMO FC(F)(c1ccc(Cl)nn1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980083 722105712 /nfs/dbraw/zinc/10/57/12/722105712.db2.gz JFAYCLFYZAIYGA-HZPDHXFCSA-N 1 1 409.868 2.797 20 0 HFADMO CCOc1nc(Cl)cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981882 722109724 /nfs/dbraw/zinc/10/97/24/722109724.db2.gz VJYVAMXMZDSFPJ-IRXDYDNUSA-N 1 1 403.914 2.651 20 0 HFADMO COC(=O)c1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1Cl ZINC001164983139 722115099 /nfs/dbraw/zinc/11/50/99/722115099.db2.gz YJNIHHSTUOJBCB-WMZOPIPTSA-N 1 1 416.909 2.644 20 0 HFADMO COc1ccc2ncc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164979189 722118908 /nfs/dbraw/zinc/11/89/08/722118908.db2.gz PMPRURBEKZTDTH-AVRDEDQJSA-N 1 1 405.502 2.761 20 0 HFADMO COc1ccc2ncc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164979194 722119168 /nfs/dbraw/zinc/11/91/68/722119168.db2.gz PMPRURBEKZTDTH-PGRDOPGGSA-N 1 1 405.502 2.761 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4ccnc(-c5cccnc5)n4)CC[C@H]3C2)c1 ZINC001164978155 722125944 /nfs/dbraw/zinc/12/59/44/722125944.db2.gz NPNZLRSQECQLDM-SFTDATJTSA-N 1 1 402.502 2.661 20 0 HFADMO COC(=O)/C=C\c1cc(C)cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979655 722134104 /nfs/dbraw/zinc/13/41/04/722134104.db2.gz LRGBNHCYEVLNSO-UQMQSGJDSA-N 1 1 422.529 2.699 20 0 HFADMO COc1nnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c2ccccc21 ZINC001164985484 722140109 /nfs/dbraw/zinc/14/01/09/722140109.db2.gz ZQCJXSLUOZHTIM-GHTZIAJQSA-N 1 1 405.502 2.761 20 0 HFADMO CC(C)n1cnc2cnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164984579 722142738 /nfs/dbraw/zinc/14/27/38/722142738.db2.gz XEXKNKJOAVYVLG-AZUAARDMSA-N 1 1 407.522 2.530 20 0 HFADMO c1ccc(-c2cc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)ncn2)nc1 ZINC001164980908 722144472 /nfs/dbraw/zinc/14/44/72/722144472.db2.gz NQCZVJLXBRZLPR-KNQAVFIVSA-N 1 1 402.502 2.661 20 0 HFADMO c1csc(-c2nccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)n1 ZINC001164972164 722156810 /nfs/dbraw/zinc/15/68/10/722156810.db2.gz GIWOWWJPKHJKLN-MSOLQXFVSA-N 1 1 408.531 2.722 20 0 HFADMO NS(=O)(=O)c1ccc(Cl)nc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164998265 722210409 /nfs/dbraw/zinc/21/04/09/722210409.db2.gz VKOJVLPWJABLSC-LJQANCHMSA-N 1 1 424.929 2.766 20 0 HFADMO NS(=O)(=O)c1ccc(Cl)nc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164998265 722210413 /nfs/dbraw/zinc/21/04/13/722210413.db2.gz VKOJVLPWJABLSC-LJQANCHMSA-N 1 1 424.929 2.766 20 0 HFADMO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(Br)n2)C[N@H+]1Cc1ccccc1 ZINC000793006938 1078046950 /nfs/dbraw/zinc/04/69/50/1078046950.db2.gz PAFSPZHAIWSKAL-DZGCQCFKSA-N 1 1 417.307 2.562 20 0 HFADMO CN(CCC(=O)NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)OCc1ccccc1 ZINC000793009156 1078047528 /nfs/dbraw/zinc/04/75/28/1078047528.db2.gz QCUGAZQHOJIPSM-UHFFFAOYSA-N 1 1 424.545 2.584 20 0 HFADMO COCCN1[C@H]2CC[N@H+]([C@@H]3CC[C@H](C)C3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001170139013 1078049155 /nfs/dbraw/zinc/04/91/55/1078049155.db2.gz TVGSIFWRMWJHFU-RDGPPVDQSA-N 1 1 408.564 2.738 20 0 HFADMO COC(=O)c1nn(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)c1Br ZINC000772825832 1078054546 /nfs/dbraw/zinc/05/45/46/1078054546.db2.gz DFTKSRXSTGRIPE-DZGCQCFKSA-N 1 1 411.344 2.647 20 0 HFADMO C[C@@H](NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)C1=CC[N@@H+](C)CC1 ZINC000793045174 1078055092 /nfs/dbraw/zinc/05/50/92/1078055092.db2.gz WPRSHEKTUULJQA-QUCCMNQESA-N 1 1 414.550 2.985 20 0 HFADMO CC(=O)c1ccc(N2CCN(C(=O)NC[C@@H]3[N@@H+](C)CCCC3(C)C)CC2)c(F)c1 ZINC000790543427 1078059858 /nfs/dbraw/zinc/05/98/58/1078059858.db2.gz RYNQCCREALLRQV-FQEVSTJZSA-N 1 1 404.530 2.980 20 0 HFADMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(=O)Nc1cccc(Br)n1 ZINC000793069034 1078062022 /nfs/dbraw/zinc/06/20/22/1078062022.db2.gz VECKWFXPBZKBOS-AWEZNQCLSA-N 1 1 409.328 2.696 20 0 HFADMO COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000790584516 1078062068 /nfs/dbraw/zinc/06/20/68/1078062068.db2.gz SLIQIWVRWKTBNA-RBUKOAKNSA-N 1 1 405.539 2.555 20 0 HFADMO Cc1c(Br)cccc1CC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000790629986 1078067755 /nfs/dbraw/zinc/06/77/55/1078067755.db2.gz GDQDMLBMDPZWFM-GOSISDBHSA-N 1 1 408.384 2.927 20 0 HFADMO Cc1c(Br)cccc1CC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000790629986 1078067760 /nfs/dbraw/zinc/06/77/60/1078067760.db2.gz GDQDMLBMDPZWFM-GOSISDBHSA-N 1 1 408.384 2.927 20 0 HFADMO CCc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CC(c4cccnc4)=NO3)CC2)cs1 ZINC000790622249 1078079618 /nfs/dbraw/zinc/07/96/18/1078079618.db2.gz HKHUQTFVDAIVAX-IBGZPJMESA-N 1 1 413.547 2.622 20 0 HFADMO CN(C(=O)c1nc(Br)ccc1Br)[C@H]1CC[N@H+](C2CC2)C1 ZINC000790626071 1078081222 /nfs/dbraw/zinc/08/12/22/1078081222.db2.gz XZMGFRAZIDVLRA-JTQLQIEISA-N 1 1 403.118 2.915 20 0 HFADMO CN(C(=O)c1ccc(NC(=O)C(F)(F)C2CCOCC2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000790668223 1078084565 /nfs/dbraw/zinc/08/45/65/1078084565.db2.gz CBQDNIINBUKGNX-SFHVURJKSA-N 1 1 409.477 2.853 20 0 HFADMO Cc1ccc(N2C(=O)C(=O)N(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)C2=O)c(C)c1 ZINC000772829085 1078100166 /nfs/dbraw/zinc/10/01/66/1078100166.db2.gz RBNJZAJONBRCGL-YLJYHZDGSA-N 1 1 410.518 2.505 20 0 HFADMO O=C(COC(=O)Cc1cccc(C(F)F)c1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000790702796 1078100440 /nfs/dbraw/zinc/10/04/40/1078100440.db2.gz RNSZOQJWEVHPOF-UHFFFAOYSA-N 1 1 424.488 2.861 20 0 HFADMO CN(C[C@@H]1C[C@H](F)CN1C(=O)NCC[N@@H+](C)C1CCCC1)C(=O)OC(C)(C)C ZINC000790712628 1078104930 /nfs/dbraw/zinc/10/49/30/1078104930.db2.gz SVZAELURCOAVQM-RDJZCZTQSA-N 1 1 400.539 2.850 20 0 HFADMO CCOC(=O)c1nn(C)cc1C[N@@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000793300604 1078122158 /nfs/dbraw/zinc/12/21/58/1078122158.db2.gz YWHAKTFFKKXKPO-SFHVURJKSA-N 1 1 414.506 2.735 20 0 HFADMO CCOC(=O)c1nn(C)cc1C[N@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000793300604 1078122166 /nfs/dbraw/zinc/12/21/66/1078122166.db2.gz YWHAKTFFKKXKPO-SFHVURJKSA-N 1 1 414.506 2.735 20 0 HFADMO S=C(NCCC[NH+]1CCOCC1)NC1(Cc2ccccc2Br)CC1 ZINC000793322121 1078136991 /nfs/dbraw/zinc/13/69/91/1078136991.db2.gz LZDMQWDZBGXHJN-UHFFFAOYSA-N 1 1 412.397 2.711 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000793332749 1078141093 /nfs/dbraw/zinc/14/10/93/1078141093.db2.gz IWTGLCPASVXDEZ-INIZCTEOSA-N 1 1 416.526 2.600 20 0 HFADMO CC[C@H](C)CC[C@H](O)CC(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000793336071 1078143389 /nfs/dbraw/zinc/14/33/89/1078143389.db2.gz XQZOUPFCLNHCHV-WMZOPIPTSA-N 1 1 402.539 2.953 20 0 HFADMO COC(=O)[C@]1(NC(=O)c2cnc(OC)c(Cl)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000790847312 1078146820 /nfs/dbraw/zinc/14/68/20/1078146820.db2.gz MLYYEOYQVPTSFG-NRFANRHFSA-N 1 1 417.893 2.681 20 0 HFADMO COc1ccc([C@H]2[C@H](COC(=O)C3CCN(c4cnccn4)CC3)CC[N@H+]2C)cc1 ZINC000747120832 1078174153 /nfs/dbraw/zinc/17/41/53/1078174153.db2.gz OFQCYOKCJBWTMG-UGKGYDQZSA-N 1 1 410.518 2.938 20 0 HFADMO O=C(C1CC[NH+](Cc2cnn(Cc3ccccc3)c2Cl)CC1)N1CCOCC1 ZINC000793570216 1078212170 /nfs/dbraw/zinc/21/21/70/1078212170.db2.gz HBTIZOOIKQXYJT-UHFFFAOYSA-N 1 1 402.926 2.656 20 0 HFADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793577760 1078213215 /nfs/dbraw/zinc/21/32/15/1078213215.db2.gz SYNKLRPZFWNBSW-ACRUOGEOSA-N 1 1 424.545 2.911 20 0 HFADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000793585110 1078214886 /nfs/dbraw/zinc/21/48/86/1078214886.db2.gz LTCNBSHRPDEAPG-DZFGPLHGSA-N 1 1 424.545 2.769 20 0 HFADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000793585112 1078215256 /nfs/dbraw/zinc/21/52/56/1078215256.db2.gz LTCNBSHRPDEAPG-UIFIKXQLSA-N 1 1 424.545 2.769 20 0 HFADMO CC(C)(C)OC(=O)NCC[N@@H+](CCO)Cc1cccc(I)c1 ZINC000793591250 1078217333 /nfs/dbraw/zinc/21/73/33/1078217333.db2.gz RFXLKRLPHPXAJM-UHFFFAOYSA-N 1 1 420.291 2.610 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CN2C(=O)[C@H](C)N(c3ccccc3)C2=O)C1 ZINC000793594584 1078218735 /nfs/dbraw/zinc/21/87/35/1078218735.db2.gz FOMBCEKADSJCIW-SBUREZEXSA-N 1 1 407.470 2.618 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CN2C(=O)[C@H](C)N(c3ccccc3)C2=O)C1 ZINC000793594584 1078218737 /nfs/dbraw/zinc/21/87/37/1078218737.db2.gz FOMBCEKADSJCIW-SBUREZEXSA-N 1 1 407.470 2.618 20 0 HFADMO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2cccc(I)c2)CC1 ZINC000793596320 1078218741 /nfs/dbraw/zinc/21/87/41/1078218741.db2.gz YYFIJPBNDWJCHS-MRXNPFEDSA-N 1 1 411.287 2.970 20 0 HFADMO COCC1(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793597699 1078219585 /nfs/dbraw/zinc/21/95/85/1078219585.db2.gz SIWQQALBCVUFSA-LJQANCHMSA-N 1 1 423.598 2.840 20 0 HFADMO C[N@@H+]1CCN(Cc2cc(Cl)c3c(c2)OCCO3)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793603121 1078221311 /nfs/dbraw/zinc/22/13/11/1078221311.db2.gz DCWYWDPHJVKMCP-HNNXBMFYSA-N 1 1 411.930 2.752 20 0 HFADMO C[N@H+]1CCN(Cc2cc(Cl)c3c(c2)OCCO3)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793603121 1078221312 /nfs/dbraw/zinc/22/13/12/1078221312.db2.gz DCWYWDPHJVKMCP-HNNXBMFYSA-N 1 1 411.930 2.752 20 0 HFADMO COC(=O)c1ccccc1CC1CC[NH+](CN2C(=O)N[C@H](CC(C)C)C2=O)CC1 ZINC000793607628 1078224319 /nfs/dbraw/zinc/22/43/19/1078224319.db2.gz RUCJFOZRWVNSSO-LJQANCHMSA-N 1 1 401.507 2.652 20 0 HFADMO CC1(C)CC(=O)N(C[NH+]2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)C1=O ZINC000793670474 1078247464 /nfs/dbraw/zinc/24/74/64/1078247464.db2.gz XUHPDUJDUPMJFK-RBUKOAKNSA-N 1 1 413.518 2.756 20 0 HFADMO O=C(COC(=O)c1ccc2ncsc2c1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000793716232 1078263226 /nfs/dbraw/zinc/26/32/26/1078263226.db2.gz ZCDVPIMGHHNIFG-UHFFFAOYSA-N 1 1 417.531 2.604 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000793694510 1078271604 /nfs/dbraw/zinc/27/16/04/1078271604.db2.gz MDZDQAJCXMQZKJ-KNQAVFIVSA-N 1 1 423.557 2.987 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C[C@@H](c4ccccn4)CC3=O)CC[C@H]21 ZINC000793706112 1078276744 /nfs/dbraw/zinc/27/67/44/1078276744.db2.gz MQYJCJXHDHYKHL-ZIFCJYIRSA-N 1 1 400.523 2.686 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C[C@@H](c4ccccn4)CC3=O)CC[C@H]21 ZINC000793706112 1078276748 /nfs/dbraw/zinc/27/67/48/1078276748.db2.gz MQYJCJXHDHYKHL-ZIFCJYIRSA-N 1 1 400.523 2.686 20 0 HFADMO C[N@H+]1CC[C@@]2(CCN(Cn3nnn(-c4ccc(Br)cc4)c3=S)C2)C1 ZINC000793762623 1078281633 /nfs/dbraw/zinc/28/16/33/1078281633.db2.gz AJKJSILGNUGEHD-MRXNPFEDSA-N 1 1 409.357 2.546 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793767249 1078282886 /nfs/dbraw/zinc/28/28/86/1078282886.db2.gz FHTMOGRGFMZNBC-UNMCSNQZSA-N 1 1 423.557 2.859 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NCc1ccccc1OCC(C)C ZINC000793737364 1078285639 /nfs/dbraw/zinc/28/56/39/1078285639.db2.gz HQFBPWSZUHOSRE-UHFFFAOYSA-N 1 1 421.501 2.543 20 0 HFADMO C[N@H+]1CC[C@]2(CCN(Cn3nc(CN4CCCC4)n(-c4ccccc4)c3=S)C2)C1 ZINC000793745141 1078288493 /nfs/dbraw/zinc/28/84/93/1078288493.db2.gz MLRYAMIQRSVCTC-QFIPXVFZSA-N 1 1 412.607 2.984 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC000793808724 1078295178 /nfs/dbraw/zinc/29/51/78/1078295178.db2.gz DCCKWEBRQFTYHA-UHFFFAOYSA-N 1 1 423.904 2.693 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793798889 1078301762 /nfs/dbraw/zinc/30/17/62/1078301762.db2.gz MKTIZAIUCGUWFJ-CPJSRVTESA-N 1 1 423.557 2.907 20 0 HFADMO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000793799994 1078302554 /nfs/dbraw/zinc/30/25/54/1078302554.db2.gz AQBHYYHSVXFWSD-MOPGFXCFSA-N 1 1 417.550 2.515 20 0 HFADMO COc1ccc([C@@H]2CCCN2C(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2C)cc1 ZINC000793802477 1078302755 /nfs/dbraw/zinc/30/27/55/1078302755.db2.gz NKCAWTHIPLEAGC-FQEVSTJZSA-N 1 1 419.485 2.564 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000793804857 1078304610 /nfs/dbraw/zinc/30/46/10/1078304610.db2.gz ZXHKOBYGNWPXTD-LAUBAEHRSA-N 1 1 417.513 2.844 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793793435 1078299044 /nfs/dbraw/zinc/29/90/44/1078299044.db2.gz REKWOCGHOYNEPH-TUNNFDKTSA-N 1 1 423.557 2.905 20 0 HFADMO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000793778697 1078309534 /nfs/dbraw/zinc/30/95/34/1078309534.db2.gz JNUOKNIUEMDIHI-IRLDBZIGSA-N 1 1 423.557 2.559 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000793778699 1078309708 /nfs/dbraw/zinc/30/97/08/1078309708.db2.gz JNUOKNIUEMDIHI-RBBKRZOGSA-N 1 1 423.557 2.559 20 0 HFADMO CC(C)(O)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793845319 1078312734 /nfs/dbraw/zinc/31/27/34/1078312734.db2.gz YZALYCHSPYPDKA-NRFANRHFSA-N 1 1 423.557 2.559 20 0 HFADMO C[N@@H+](CCNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1)Cc1ccccc1 ZINC000793846627 1078312944 /nfs/dbraw/zinc/31/29/44/1078312944.db2.gz XTPJVHTYCYYCAR-JOCHJYFZSA-N 1 1 409.530 2.519 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000793810259 1078314122 /nfs/dbraw/zinc/31/41/22/1078314122.db2.gz TWUIHOCVXCIQDP-CRAIPNDOSA-N 1 1 407.474 2.785 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1Cc2ccccc2C(C)(C)C1 ZINC000793811537 1078314351 /nfs/dbraw/zinc/31/43/51/1078314351.db2.gz VUOQVMOXIGZSNH-UHFFFAOYSA-N 1 1 403.486 2.512 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)CCCCc1ccccc1 ZINC000793811025 1078314649 /nfs/dbraw/zinc/31/46/49/1078314649.db2.gz SFHWKXGDPYUYEO-UHFFFAOYSA-N 1 1 405.502 2.673 20 0 HFADMO Cc1ccc([C@H](C)NC(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)s1 ZINC000793870259 1078329055 /nfs/dbraw/zinc/32/90/55/1078329055.db2.gz WUMSEBSMCBOKMJ-FUHWJXTLSA-N 1 1 417.600 2.968 20 0 HFADMO Cc1ccc([C@H](C)NC(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)s1 ZINC000793870259 1078329059 /nfs/dbraw/zinc/32/90/59/1078329059.db2.gz WUMSEBSMCBOKMJ-FUHWJXTLSA-N 1 1 417.600 2.968 20 0 HFADMO CCN(CC)[C@@H](CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)c1ccco1 ZINC000793850353 1078323016 /nfs/dbraw/zinc/32/30/16/1078323016.db2.gz XEQCBHJOEYNUOX-MHJFOBGBSA-N 1 1 418.582 2.692 20 0 HFADMO Cc1c[nH+]cn1C1CCN(C(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2F)CC1 ZINC000793850715 1078323615 /nfs/dbraw/zinc/32/36/15/1078323615.db2.gz RVXVAMFHIBFJMD-UHFFFAOYSA-N 1 1 422.526 2.837 20 0 HFADMO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000793863602 1078326600 /nfs/dbraw/zinc/32/66/00/1078326600.db2.gz IYJNXBJEVDPPOU-AOIWGVFYSA-N 1 1 415.559 2.639 20 0 HFADMO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000793863602 1078326603 /nfs/dbraw/zinc/32/66/03/1078326603.db2.gz IYJNXBJEVDPPOU-AOIWGVFYSA-N 1 1 415.559 2.639 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)CCc2ccccc2NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000793873422 1078330003 /nfs/dbraw/zinc/33/00/03/1078330003.db2.gz AVWILERHXNGMPI-IRXDYDNUSA-N 1 1 405.539 2.880 20 0 HFADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccc(Cl)nc2)C1 ZINC000793931373 1078341174 /nfs/dbraw/zinc/34/11/74/1078341174.db2.gz NIAREJMYPBZDGD-YJBOKZPZSA-N 1 1 400.910 2.645 20 0 HFADMO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000793931359 1078341287 /nfs/dbraw/zinc/34/12/87/1078341287.db2.gz MUYIUOSVEQWSMQ-XXBNENTESA-N 1 1 422.573 2.658 20 0 HFADMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000793909566 1078334898 /nfs/dbraw/zinc/33/48/98/1078334898.db2.gz HUVUIWSGRSJRHO-XCDZQEORSA-N 1 1 421.607 2.645 20 0 HFADMO COCN1C(=O)CCc2cc(NC(=O)c3ccc(C[NH+]4CCN(C)CC4)cc3)ccc21 ZINC000793912088 1078336118 /nfs/dbraw/zinc/33/61/18/1078336118.db2.gz RRCGQJYBMDCNKU-UHFFFAOYSA-N 1 1 422.529 2.569 20 0 HFADMO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000793913352 1078336268 /nfs/dbraw/zinc/33/62/68/1078336268.db2.gz QTJZPPCZCMVRCM-ICSRJNTNSA-N 1 1 403.567 2.504 20 0 HFADMO Cn1cc[nH+]c1N1CCC(NC(=O)[C@H]2CCCC[C@@]2(C)NC(=O)OC(C)(C)C)CC1 ZINC000793952575 1078345729 /nfs/dbraw/zinc/34/57/29/1078345729.db2.gz PTQKGONKZJTGEB-VGOFRKELSA-N 1 1 419.570 2.979 20 0 HFADMO CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000793953265 1078346156 /nfs/dbraw/zinc/34/61/56/1078346156.db2.gz QSLMFYXWUJCQMI-UHFFFAOYSA-N 1 1 407.559 2.836 20 0 HFADMO C[C@H]1C[C@@H](C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CCN1C(=O)OC(C)(C)C ZINC000793977392 1078350752 /nfs/dbraw/zinc/35/07/52/1078350752.db2.gz XLVWLESEAWJIHC-BZSNNMDCSA-N 1 1 409.571 2.734 20 0 HFADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000793945077 1078354298 /nfs/dbraw/zinc/35/42/98/1078354298.db2.gz BVNKTITWSBZFDQ-BJLQDIEVSA-N 1 1 407.599 2.667 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCOC[C@]2(CCN(c3ncccn3)C2)C1 ZINC001170441687 1078356347 /nfs/dbraw/zinc/35/63/47/1078356347.db2.gz JMJBBTCUNYWUDO-AUSIDOKSSA-N 1 1 410.518 2.755 20 0 HFADMO C[C@H](C(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)[NH+]1CCSCC1 ZINC000794047689 1078365494 /nfs/dbraw/zinc/36/54/94/1078365494.db2.gz LQDWVFNKCSEITP-MJGOQNOKSA-N 1 1 405.564 2.589 20 0 HFADMO CON(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)c1 ZINC000794220596 1078385791 /nfs/dbraw/zinc/38/57/91/1078385791.db2.gz GZASATAQMUNHFW-UHFFFAOYSA-N 1 1 411.911 2.836 20 0 HFADMO CC(C)C[N@H+]1CCO[C@@H](COC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)C1 ZINC000794387190 1078433434 /nfs/dbraw/zinc/43/34/34/1078433434.db2.gz WOLQMHQQSKWWGL-QZTJIDSGSA-N 1 1 408.926 2.589 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000794391952 1078434244 /nfs/dbraw/zinc/43/42/44/1078434244.db2.gz DNXPPULWZONCST-IKGGRYGDSA-N 1 1 413.559 2.736 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000804418910 1078468824 /nfs/dbraw/zinc/46/88/24/1078468824.db2.gz ZGTPOBJKUNAYOX-WOJBJXKFSA-N 1 1 421.969 2.603 20 0 HFADMO C[C@@H](Oc1ccc(C=O)cc1)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804447548 1078515122 /nfs/dbraw/zinc/51/51/22/1078515122.db2.gz GCUUHMREMDVYSR-OFNKIYASSA-N 1 1 421.541 2.685 20 0 HFADMO CC[C@H](C)CC[C@H](O)CC(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804448999 1078516023 /nfs/dbraw/zinc/51/60/23/1078516023.db2.gz SXSSTALXIOCVKV-PMVMPFDFSA-N 1 1 401.595 2.982 20 0 HFADMO COCC(COC)[NH+]1CCN(C(=O)c2ccc(-c3cccc(Cl)c3)[nH]c2=O)CC1 ZINC001129822825 1078517476 /nfs/dbraw/zinc/51/74/76/1078517476.db2.gz NCUJLPPRTMNYHF-UHFFFAOYSA-N 1 1 419.909 2.527 20 0 HFADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)C1 ZINC001129802047 1078526554 /nfs/dbraw/zinc/52/65/54/1078526554.db2.gz XLALBZUUIKTHSM-PMACEKPBSA-N 1 1 401.551 2.635 20 0 HFADMO O=C(NCC1([NH+]2CCOCC2)CCOCC1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001129556330 1078546787 /nfs/dbraw/zinc/54/67/87/1078546787.db2.gz ULVPOFQBYFQXHM-UHFFFAOYSA-N 1 1 412.452 2.735 20 0 HFADMO Cc1csc([C@H](C)NC(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000804500802 1078555179 /nfs/dbraw/zinc/55/51/79/1078555179.db2.gz QGQXTGKSHCPMPX-HRAATJIYSA-N 1 1 400.548 2.657 20 0 HFADMO CO[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)[C@H]1CCOC1 ZINC001129564802 1078558351 /nfs/dbraw/zinc/55/83/51/1078558351.db2.gz ZRQIGJLIGYWYPC-KZKAQZJJSA-N 1 1 412.505 2.961 20 0 HFADMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC001129599597 1078573669 /nfs/dbraw/zinc/57/36/69/1078573669.db2.gz NRFKBWHOCQIWLU-SQJMNOBHSA-N 1 1 405.542 2.863 20 0 HFADMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001129905189 1078577030 /nfs/dbraw/zinc/57/70/30/1078577030.db2.gz JWBIBPHZJAHGRK-SFHVURJKSA-N 1 1 422.367 2.854 20 0 HFADMO CN(C[C@H]1CCC[N@H+]1C)C(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001129905656 1078577581 /nfs/dbraw/zinc/57/75/81/1078577581.db2.gz NZKRIJHVKOPXBG-HXUWFJFHSA-N 1 1 421.607 2.737 20 0 HFADMO CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)NCCCC[N@@H+](C)C2CC2)cc1 ZINC001129627929 1078601084 /nfs/dbraw/zinc/60/10/84/1078601084.db2.gz AJCHRTQSEWBBFG-LJQANCHMSA-N 1 1 405.564 2.591 20 0 HFADMO CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC000804759785 1078610721 /nfs/dbraw/zinc/61/07/21/1078610721.db2.gz APUZNNKPTRVMAA-UXHICEINSA-N 1 1 420.598 2.547 20 0 HFADMO CCN1CC[NH+](CC(C)(C)NC(=O)[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]23)CC1 ZINC001129962341 1078636399 /nfs/dbraw/zinc/63/63/99/1078636399.db2.gz XOMBQMZKFQXITI-IPMKNSEASA-N 1 1 420.395 2.867 20 0 HFADMO CCN1CC[NH+](CC(C)(C)NC(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC001129962338 1078636483 /nfs/dbraw/zinc/63/64/83/1078636483.db2.gz XOMBQMZKFQXITI-CEXWTWQISA-N 1 1 420.395 2.867 20 0 HFADMO CCN1CC[NH+](CC(C)(C)NC(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC001129964755 1078638504 /nfs/dbraw/zinc/63/85/04/1078638504.db2.gz XWJFYEMAQOYYRP-INIZCTEOSA-N 1 1 424.383 2.848 20 0 HFADMO COc1nn(C)cc1C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC001129696982 1078655753 /nfs/dbraw/zinc/65/57/53/1078655753.db2.gz JOFMCVDSSUTJQT-UHFFFAOYSA-N 1 1 407.312 2.586 20 0 HFADMO COc1ccc([C@H](CC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)NC(C)=O)cc1 ZINC001129702497 1078661121 /nfs/dbraw/zinc/66/11/21/1078661121.db2.gz VAIDKLKQJYEEKK-MBSDFSHPSA-N 1 1 409.530 2.995 20 0 HFADMO COc1ccc([C@H](CC(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)NC(C)=O)cc1 ZINC001129702497 1078661123 /nfs/dbraw/zinc/66/11/23/1078661123.db2.gz VAIDKLKQJYEEKK-MBSDFSHPSA-N 1 1 409.530 2.995 20 0 HFADMO C[C@@H]1CN(C(=O)C[C@H]2COCCN2C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001129703160 1078661495 /nfs/dbraw/zinc/66/14/95/1078661495.db2.gz BSNLCRXDMDJAAA-QUCCMNQESA-N 1 1 417.550 2.745 20 0 HFADMO C[C@@H]1CN(C(=O)C[C@H]2COCCN2C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001129703160 1078661499 /nfs/dbraw/zinc/66/14/99/1078661499.db2.gz BSNLCRXDMDJAAA-QUCCMNQESA-N 1 1 417.550 2.745 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(-n2cncn2)c(C)c1 ZINC001129970809 1078664518 /nfs/dbraw/zinc/66/45/18/1078664518.db2.gz FXDHICNTEFXMCE-FYYLOGMGSA-N 1 1 419.529 2.843 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000804831004 1078671781 /nfs/dbraw/zinc/67/17/81/1078671781.db2.gz CKLWIXHSQNCFDW-DENIHFKCSA-N 1 1 422.573 2.786 20 0 HFADMO COC1(C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000804870231 1078693510 /nfs/dbraw/zinc/69/35/10/1078693510.db2.gz USTQAKHKAKICLU-UHFFFAOYSA-N 1 1 423.554 2.976 20 0 HFADMO C[C@H]1C[C@H](NC(=O)C(=O)N2CCc3c(F)cccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000804644047 1078698212 /nfs/dbraw/zinc/69/82/12/1078698212.db2.gz AGCJTHDABCDXDQ-FXAWDEMLSA-N 1 1 409.505 2.880 20 0 HFADMO C[C@@H]1C[C@H](NC(=O)C(=O)NCCc2ccc(Cl)nc2)CC[N@H+]1Cc1ccccc1 ZINC000804643905 1078698878 /nfs/dbraw/zinc/69/88/78/1078698878.db2.gz SPRNFSJDDCTOJL-VQIMIIECSA-N 1 1 414.937 2.563 20 0 HFADMO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000804645725 1078701677 /nfs/dbraw/zinc/70/16/77/1078701677.db2.gz XBHGWRYIURJUMD-NLWGTHIKSA-N 1 1 407.555 2.537 20 0 HFADMO COC(=O)N1CCC(CNC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)CC1 ZINC000804936728 1078762237 /nfs/dbraw/zinc/76/22/37/1078762237.db2.gz XAMUIVZXLPKOTG-UHFFFAOYSA-N 1 1 424.492 2.707 20 0 HFADMO COc1cccc([C@H](CNS(=O)(=O)c2cnc(Cl)c(F)c2)[NH+]2CCCC2)c1 ZINC000804939641 1078765151 /nfs/dbraw/zinc/76/51/51/1078765151.db2.gz RUOQVTJFBALGDI-KRWDZBQOSA-N 1 1 413.902 2.998 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000804973167 1078809960 /nfs/dbraw/zinc/80/99/60/1078809960.db2.gz IZBKGOSQGDTCHU-YOEHRIQHSA-N 1 1 414.510 2.773 20 0 HFADMO CC(C)N(C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001130057685 1078881054 /nfs/dbraw/zinc/88/10/54/1078881054.db2.gz LRJNFOLYYYSVEJ-GGAORHGYSA-N 1 1 420.557 2.942 20 0 HFADMO CC(C)N(C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001130057620 1078881206 /nfs/dbraw/zinc/88/12/06/1078881206.db2.gz JDOBFPHGNOLHMD-QZTJIDSGSA-N 1 1 411.468 2.909 20 0 HFADMO CCc1ccc(N2CCN(C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)cc1Cl ZINC000805074753 1078905997 /nfs/dbraw/zinc/90/59/97/1078905997.db2.gz ORXHYFIWKMGXOZ-MOPGFXCFSA-N 1 1 406.958 2.597 20 0 HFADMO CCc1ccc(N2CCN(C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)cc1Cl ZINC000805074756 1078906130 /nfs/dbraw/zinc/90/61/30/1078906130.db2.gz ORXHYFIWKMGXOZ-OALUTQOASA-N 1 1 406.958 2.597 20 0 HFADMO Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)c2cc(Br)c[nH]2)CC1 ZINC000805078607 1078909306 /nfs/dbraw/zinc/90/93/06/1078909306.db2.gz SNULRHZICKIZQF-UHFFFAOYSA-N 1 1 420.307 2.587 20 0 HFADMO COC[C@@]1(CNC(=O)NCC[N@@H+](C)C2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC000805079580 1078910499 /nfs/dbraw/zinc/91/04/99/1078910499.db2.gz XQHLUARHDWZPGA-NRFANRHFSA-N 1 1 412.575 2.576 20 0 HFADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)NCc2cccc(NC(=O)OC)c2)[C@H](C)C1 ZINC000805124517 1078923125 /nfs/dbraw/zinc/92/31/25/1078923125.db2.gz OTISDUVQQUIHQK-VQIMIIECSA-N 1 1 406.527 2.801 20 0 HFADMO CC(C)Oc1ccc([C@@H](CNS(=O)(=O)c2cccc3nonc32)[NH+](C)C)cc1 ZINC000805134613 1078931581 /nfs/dbraw/zinc/93/15/81/1078931581.db2.gz DPAUMJMAVMZSJI-QGZVFWFLSA-N 1 1 404.492 2.591 20 0 HFADMO CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747230361 1078949088 /nfs/dbraw/zinc/94/90/88/1078949088.db2.gz QCAYQHYXOWSQJP-AKFKNWHVSA-N 1 1 423.557 2.503 20 0 HFADMO C[C@]1(CNC(=O)C(=O)N2CC[C@@H](c3ccccn3)C2)CCC[N@H+]1Cc1ccccc1 ZINC000805199378 1078952709 /nfs/dbraw/zinc/95/27/09/1078952709.db2.gz ZAHJVUHNXHPXGT-HYBUGGRVSA-N 1 1 406.530 2.568 20 0 HFADMO CCc1ccc(N2CCN(C(=O)NC[C@H](C)C[NH+]3CCOCC3)CC2)cc1Cl ZINC000805184959 1078965706 /nfs/dbraw/zinc/96/57/06/1078965706.db2.gz BIAJAGGXVMCJJC-KRWDZBQOSA-N 1 1 408.974 2.702 20 0 HFADMO COC(=O)c1ncc(=O)[nH]c1Nc1cc(C)c2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001170480004 1079044165 /nfs/dbraw/zinc/04/41/65/1079044165.db2.gz YPDRMBJTPWUYAC-UHFFFAOYSA-N 1 1 405.458 2.562 20 0 HFADMO CCc1ccc([C@H](O)CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000805359004 1079045515 /nfs/dbraw/zinc/04/55/15/1079045515.db2.gz WDZVHJBRKFGMEK-XZOQPEGZSA-N 1 1 411.546 2.873 20 0 HFADMO CCCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)n1 ZINC001130210189 1079087644 /nfs/dbraw/zinc/08/76/44/1079087644.db2.gz ZDNKVRZUVVRQHH-SPOLIRPYSA-N 1 1 401.555 2.676 20 0 HFADMO CCCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)n[nH]1 ZINC001130210189 1079087648 /nfs/dbraw/zinc/08/76/48/1079087648.db2.gz ZDNKVRZUVVRQHH-SPOLIRPYSA-N 1 1 401.555 2.676 20 0 HFADMO CNC(=O)c1cncc(/C=C\C(=O)N(C(C)C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001130257196 1079146342 /nfs/dbraw/zinc/14/63/42/1079146342.db2.gz MUCAZIMHHFPKIK-DYYZXQNHSA-N 1 1 406.530 2.966 20 0 HFADMO COc1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)c1OC ZINC000805590631 1079166209 /nfs/dbraw/zinc/16/62/09/1079166209.db2.gz XLAYWCNAINUBAD-UHFFFAOYSA-N 1 1 412.486 2.513 20 0 HFADMO CN(Cc1cc(Br)cs1)C(=O)COC(=O)C(C)(C)[NH+]1CCCC1 ZINC000805615896 1079176138 /nfs/dbraw/zinc/17/61/38/1079176138.db2.gz KUODYWHFDRCVEK-UHFFFAOYSA-N 1 1 403.342 2.887 20 0 HFADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)C1 ZINC000805636085 1079189619 /nfs/dbraw/zinc/18/96/19/1079189619.db2.gz KNXMKYJTOAQBAP-GUDVDZBRSA-N 1 1 419.566 2.711 20 0 HFADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)c2ccc3oc(=O)[nH]c3c2)CC1 ZINC000805655017 1079205477 /nfs/dbraw/zinc/20/54/77/1079205477.db2.gz BVRWELZPQVHJQJ-HNNXBMFYSA-N 1 1 409.442 2.596 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCOC2CCC2)C1 ZINC000805747841 1079229434 /nfs/dbraw/zinc/22/94/34/1079229434.db2.gz HVDDFTLPKBXBDB-MJGOQNOKSA-N 1 1 409.571 2.783 20 0 HFADMO O=S(=O)(c1cccc2cnccc21)N1CCC[N@H+](CCCCCCCO)CC1 ZINC000805749321 1079229704 /nfs/dbraw/zinc/22/97/04/1079229704.db2.gz WPXGQFGCQNMCFB-UHFFFAOYSA-N 1 1 405.564 2.874 20 0 HFADMO C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(N(C)C)cc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805788489 1079255060 /nfs/dbraw/zinc/25/50/60/1079255060.db2.gz IEUOHMBBEHTOAI-DEYYWGMASA-N 1 1 414.472 2.859 20 0 HFADMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(N(C)C)cc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805788489 1079255066 /nfs/dbraw/zinc/25/50/66/1079255066.db2.gz IEUOHMBBEHTOAI-DEYYWGMASA-N 1 1 414.472 2.859 20 0 HFADMO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805795565 1079259790 /nfs/dbraw/zinc/25/97/90/1079259790.db2.gz PZZPHLKSJAEDFW-BTYIYWSLSA-N 1 1 410.559 2.722 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000805762724 1079263014 /nfs/dbraw/zinc/26/30/14/1079263014.db2.gz SQPJPHBUHYBKFB-HOTGVXAUSA-N 1 1 411.493 2.955 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000805762724 1079263024 /nfs/dbraw/zinc/26/30/24/1079263024.db2.gz SQPJPHBUHYBKFB-HOTGVXAUSA-N 1 1 411.493 2.955 20 0 HFADMO COC(=O)N1CCC(CNC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CC1 ZINC000805832537 1079271974 /nfs/dbraw/zinc/27/19/74/1079271974.db2.gz HDYVLOJGOWMEAI-UHFFFAOYSA-N 1 1 416.566 2.815 20 0 HFADMO CC[C@@H]1CN(C(=O)NCC2CCN(C(=O)OC)CC2)CC[N@H+]1Cc1ccccc1 ZINC000805833825 1079272447 /nfs/dbraw/zinc/27/24/47/1079272447.db2.gz HFHDKSQUTFQJSS-HXUWFJFHSA-N 1 1 402.539 2.771 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCc4cc(Cl)nnc4C3)cc2)C[C@H](C)O1 ZINC001130369121 1079266969 /nfs/dbraw/zinc/26/69/69/1079266969.db2.gz CECXUVLSBAFSQF-GASCZTMLSA-N 1 1 400.910 2.938 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCc4cc(Cl)nnc4C3)cc2)C[C@H](C)O1 ZINC001130369121 1079266972 /nfs/dbraw/zinc/26/69/72/1079266972.db2.gz CECXUVLSBAFSQF-GASCZTMLSA-N 1 1 400.910 2.938 20 0 HFADMO C[C@@H]1[C@H](C)N(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)[C@@H](C)C[N@H+]1C ZINC001130369494 1079267801 /nfs/dbraw/zinc/26/78/01/1079267801.db2.gz FPSKLIKXMNORAY-CLWJZODNSA-N 1 1 414.550 2.903 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)ccc1F ZINC000747270582 1079277658 /nfs/dbraw/zinc/27/76/58/1079277658.db2.gz LXHFNVLKSPBSPE-HOTGVXAUSA-N 1 1 412.527 2.887 20 0 HFADMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC(=O)NCCCOc1ccccc1F ZINC000805800148 1079280550 /nfs/dbraw/zinc/28/05/50/1079280550.db2.gz SZGJKJQSYZOTCP-RDJZCZTQSA-N 1 1 409.502 2.698 20 0 HFADMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC(=O)NCCCOc1ccccc1F ZINC000805800148 1079280552 /nfs/dbraw/zinc/28/05/52/1079280552.db2.gz SZGJKJQSYZOTCP-RDJZCZTQSA-N 1 1 409.502 2.698 20 0 HFADMO CNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000805826111 1079295972 /nfs/dbraw/zinc/29/59/72/1079295972.db2.gz POLOYZRNNSNHLI-VQIMIIECSA-N 1 1 419.522 2.578 20 0 HFADMO CNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000805826111 1079295977 /nfs/dbraw/zinc/29/59/77/1079295977.db2.gz POLOYZRNNSNHLI-VQIMIIECSA-N 1 1 419.522 2.578 20 0 HFADMO CC[C@@H]1C[C@@H]([NH+]2CCN(S(C)(=O)=O)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170491006 1079302151 /nfs/dbraw/zinc/30/21/51/1079302151.db2.gz HYGNQPYXXFGKTE-BJWYYQGGSA-N 1 1 403.589 2.520 20 0 HFADMO COC(=O)N1CCC(COC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000805939267 1079342659 /nfs/dbraw/zinc/34/26/59/1079342659.db2.gz DOXUUVPOZKFOIO-IAGOWNOFSA-N 1 1 404.507 2.931 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(Cl)cc1Cl ZINC000747276184 1079340276 /nfs/dbraw/zinc/34/02/76/1079340276.db2.gz DIRVGTBQEUQRGC-GHMZBOCLSA-N 1 1 409.335 2.883 20 0 HFADMO COCC[N@H+]1CCN(C(=O)[C@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)C(C)(C)C1 ZINC001130421266 1079340687 /nfs/dbraw/zinc/34/06/87/1079340687.db2.gz NCZVLXPYKSFEJO-VGOFRKELSA-N 1 1 409.571 2.593 20 0 HFADMO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)CCC2 ZINC000805940542 1079343742 /nfs/dbraw/zinc/34/37/42/1079343742.db2.gz STGMLMGMVQUMJH-FXAWDEMLSA-N 1 1 411.550 2.594 20 0 HFADMO CCc1ncc(Cl)c(C(=O)N[C@]2(C(=O)OC)CCC[N@H+](Cc3ccccc3)C2)n1 ZINC001130444511 1079345552 /nfs/dbraw/zinc/34/55/52/1079345552.db2.gz DPLMCJOCJOPPEY-OAQYLSRUSA-N 1 1 416.909 2.630 20 0 HFADMO CCc1ncc(Cl)c(C(=O)N[C@]2(C(=O)OC)CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC001130444511 1079345557 /nfs/dbraw/zinc/34/55/57/1079345557.db2.gz DPLMCJOCJOPPEY-OAQYLSRUSA-N 1 1 416.909 2.630 20 0 HFADMO CCOC(=O)N1CCC(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)CC1 ZINC000747283614 1079357219 /nfs/dbraw/zinc/35/72/19/1079357219.db2.gz KELUFYURGNQARC-SFHVURJKSA-N 1 1 423.579 2.534 20 0 HFADMO C[C@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130472591 1079399250 /nfs/dbraw/zinc/39/92/50/1079399250.db2.gz WGXYYNUWJHBWHI-XSYGEPLQSA-N 1 1 419.566 2.736 20 0 HFADMO C[C@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130472591 1079399257 /nfs/dbraw/zinc/39/92/57/1079399257.db2.gz WGXYYNUWJHBWHI-XSYGEPLQSA-N 1 1 419.566 2.736 20 0 HFADMO O=S(=O)(c1ccc(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)s1)N1CCOCC1 ZINC000806132396 1079434794 /nfs/dbraw/zinc/43/47/94/1079434794.db2.gz VVSVPGILTIOEPN-CQSZACIVSA-N 1 1 413.952 2.595 20 0 HFADMO CCc1nc([C@@H](C)NC(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000806110581 1079440410 /nfs/dbraw/zinc/44/04/10/1079440410.db2.gz ICABEXBQJNJCCC-ZHRRBRCNSA-N 1 1 414.575 2.911 20 0 HFADMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[N@H+](C)CC(C)C)CC2)cc1C ZINC001130523633 1079459113 /nfs/dbraw/zinc/45/91/13/1079459113.db2.gz HIEUQLWVHXAIKG-UHFFFAOYSA-N 1 1 423.623 2.798 20 0 HFADMO CC(C)C[N@@H+](C)CCCNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001130523685 1079459011 /nfs/dbraw/zinc/45/90/11/1079459011.db2.gz IUZFRKJCCLZHIA-UHFFFAOYSA-N 1 1 409.596 2.959 20 0 HFADMO CC[NH+]1CCN(c2ccc(NC(=O)NCCc3nnc(-c4ccccc4)[nH]3)cc2)CC1 ZINC000806153046 1079468328 /nfs/dbraw/zinc/46/83/28/1079468328.db2.gz IIMWXKPRRUQSQN-UHFFFAOYSA-N 1 1 419.533 2.978 20 0 HFADMO C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)[C@@H](Cc2ccccc2)C1 ZINC001130550751 1079487251 /nfs/dbraw/zinc/48/72/51/1079487251.db2.gz RROKABBGHVUMRH-MSOLQXFVSA-N 1 1 413.468 2.703 20 0 HFADMO C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)[C@@H](Cc2ccccc2)C1 ZINC001130550751 1079487254 /nfs/dbraw/zinc/48/72/54/1079487254.db2.gz RROKABBGHVUMRH-MSOLQXFVSA-N 1 1 413.468 2.703 20 0 HFADMO CCOCCC[N@H+]1CC[C@@H](NCc2cc(=O)oc3cc(NC(C)=O)ccc23)[C@H](C)C1 ZINC000787301664 1076749471 /nfs/dbraw/zinc/74/94/71/1076749471.db2.gz CBIXICIIMRNXTL-IIBYNOLFSA-N 1 1 415.534 2.978 20 0 HFADMO CC1(C)CN=C(N2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3C(F)F)CC2)S1 ZINC000787383247 1076772539 /nfs/dbraw/zinc/77/25/39/1076772539.db2.gz FTBIXEDVXNVOIJ-UHFFFAOYSA-N 1 1 420.489 2.844 20 0 HFADMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CCC(=O)Nc1sccc1C(N)=O ZINC000746677772 1076791740 /nfs/dbraw/zinc/79/17/40/1076791740.db2.gz UGVCBQSFCLHTLI-INIZCTEOSA-N 1 1 400.548 2.772 20 0 HFADMO C[C@H]1CCN(Cc2ccccc2)CC[N@@H+]1CCC(=O)Nc1sccc1C(N)=O ZINC000746677772 1076791744 /nfs/dbraw/zinc/79/17/44/1076791744.db2.gz UGVCBQSFCLHTLI-INIZCTEOSA-N 1 1 400.548 2.772 20 0 HFADMO C[C@H]1CCN(Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1sccc1C(N)=O ZINC000746677772 1076791747 /nfs/dbraw/zinc/79/17/47/1076791747.db2.gz UGVCBQSFCLHTLI-INIZCTEOSA-N 1 1 400.548 2.772 20 0 HFADMO COc1ccc(OC)c([C@@H](O)CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)c1 ZINC000787426369 1076801756 /nfs/dbraw/zinc/80/17/56/1076801756.db2.gz HCJMWPOPBKFMMM-INIZCTEOSA-N 1 1 418.400 2.686 20 0 HFADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)[C@@H](C)C1 ZINC000787387543 1076804696 /nfs/dbraw/zinc/80/46/96/1076804696.db2.gz MMVMTQPGLHURHS-FCEWJHQRSA-N 1 1 419.570 2.936 20 0 HFADMO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)[C@@H](C)C1 ZINC000787387543 1076804703 /nfs/dbraw/zinc/80/47/03/1076804703.db2.gz MMVMTQPGLHURHS-FCEWJHQRSA-N 1 1 419.570 2.936 20 0 HFADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)[C@@H](C)C1 ZINC000787387543 1076804710 /nfs/dbraw/zinc/80/47/10/1076804710.db2.gz MMVMTQPGLHURHS-FCEWJHQRSA-N 1 1 419.570 2.936 20 0 HFADMO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787393003 1076806051 /nfs/dbraw/zinc/80/60/51/1076806051.db2.gz FSKHECOXIGVGPI-HOTGVXAUSA-N 1 1 405.543 2.690 20 0 HFADMO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1 ZINC000746685409 1076818563 /nfs/dbraw/zinc/81/85/63/1076818563.db2.gz BHXOUGFLGAAAJS-FCHUYYIVSA-N 1 1 409.530 2.982 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)cn1 ZINC000787488414 1076823247 /nfs/dbraw/zinc/82/32/47/1076823247.db2.gz XAWNDHHYHWJXEI-OAQYLSRUSA-N 1 1 421.476 2.989 20 0 HFADMO C[NH+]1CCC2(CCCN2C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC1 ZINC000787490805 1076823950 /nfs/dbraw/zinc/82/39/50/1076823950.db2.gz SUCZLULQESPNSC-MRXNPFEDSA-N 1 1 417.554 2.835 20 0 HFADMO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000746686760 1076829367 /nfs/dbraw/zinc/82/93/67/1076829367.db2.gz UDMPMHWIFXZEJG-BZUAXINKSA-N 1 1 400.548 2.549 20 0 HFADMO C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000787508385 1076830302 /nfs/dbraw/zinc/83/03/02/1076830302.db2.gz JVGWCVPUZWTQBH-ZDUSSCGKSA-N 1 1 404.417 2.691 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cn1 ZINC000787477545 1076837678 /nfs/dbraw/zinc/83/76/78/1076837678.db2.gz KEFLJCZKNCATDC-CYBMUJFWSA-N 1 1 413.428 2.690 20 0 HFADMO Cc1cc(Br)cc(C)c1CNC(=S)NCCC[NH+]1CCOCC1 ZINC000746687680 1076837731 /nfs/dbraw/zinc/83/77/31/1076837731.db2.gz SCPYISWBUKVVQX-UHFFFAOYSA-N 1 1 400.386 2.752 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H](c2ccc(F)c(C)c2)C2CC2)cn1 ZINC000787477500 1076838012 /nfs/dbraw/zinc/83/80/12/1076838012.db2.gz IQLUSQDJUPJJAG-OAQYLSRUSA-N 1 1 421.476 2.907 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[C@@H](Cc3ccccc3)[C@H]2C)cn1 ZINC000787480323 1076839701 /nfs/dbraw/zinc/83/97/01/1076839701.db2.gz ZOIBFQLEAOSILA-UTKZUKDTSA-N 1 1 417.513 2.672 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)cn1 ZINC000787483437 1076842191 /nfs/dbraw/zinc/84/21/91/1076842191.db2.gz DNESHOMTDUFJKH-PXNSSMCTSA-N 1 1 417.513 2.905 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)cn1 ZINC000787483441 1076842331 /nfs/dbraw/zinc/84/23/31/1076842331.db2.gz DNESHOMTDUFJKH-YLJYHZDGSA-N 1 1 417.513 2.905 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCC2(c3ccc(Cl)cc3)CC2)cn1 ZINC000787487015 1076843857 /nfs/dbraw/zinc/84/38/57/1076843857.db2.gz ARQJAHREIBUAKH-UHFFFAOYSA-N 1 1 423.904 2.693 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[C@H](c3ccc(C)cc3)C2)cn1 ZINC000787486422 1076844350 /nfs/dbraw/zinc/84/43/50/1076844350.db2.gz RADASXNFMSGHEZ-FQEVSTJZSA-N 1 1 403.486 2.516 20 0 HFADMO O=C(Cn1c(=O)c2ccccc2[nH]c1=S)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000746688756 1076857874 /nfs/dbraw/zinc/85/78/74/1076857874.db2.gz NUFTXQUGNZRBCR-QGZVFWFLSA-N 1 1 414.575 2.800 20 0 HFADMO C[C@@H]([NH2+]C(C)(C)CNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)c1ccccc1 ZINC000746688708 1076857929 /nfs/dbraw/zinc/85/79/29/1076857929.db2.gz MDYGFQWXPGNVMR-OAHLLOKOSA-N 1 1 410.543 2.931 20 0 HFADMO CCCC[N@H+](C)CC1CCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000746692684 1076858177 /nfs/dbraw/zinc/85/81/77/1076858177.db2.gz YLCYYNMRGNPHBD-UHFFFAOYSA-N 1 1 402.564 2.656 20 0 HFADMO CCCC[N@@H+](C)CC1CCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000746692684 1076858186 /nfs/dbraw/zinc/85/81/86/1076858186.db2.gz YLCYYNMRGNPHBD-UHFFFAOYSA-N 1 1 402.564 2.656 20 0 HFADMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000746697332 1076864300 /nfs/dbraw/zinc/86/43/00/1076864300.db2.gz SFKWVAWNHRBMPL-KRWDZBQOSA-N 1 1 422.554 2.808 20 0 HFADMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000746697332 1076864312 /nfs/dbraw/zinc/86/43/12/1076864312.db2.gz SFKWVAWNHRBMPL-KRWDZBQOSA-N 1 1 422.554 2.808 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)NC[C@@H]3CCCC[N@H+]3C3CC3)[nH]n2)C1 ZINC000787582076 1076872061 /nfs/dbraw/zinc/87/20/61/1076872061.db2.gz ROEMKBGTMCETRS-RDJZCZTQSA-N 1 1 417.554 2.881 20 0 HFADMO COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](SC)C1)[NH+]1CCCCC1 ZINC000787584304 1076873595 /nfs/dbraw/zinc/87/35/95/1076873595.db2.gz IAPODQSRNVMLIW-SCTDSRPQSA-N 1 1 419.591 2.739 20 0 HFADMO CC[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(Cl)nc1)[N@H+]1CCc2ccccc2C1 ZINC000787630933 1076884176 /nfs/dbraw/zinc/88/41/76/1076884176.db2.gz FFDXCNHBHUIUHH-IBGZPJMESA-N 1 1 414.937 2.647 20 0 HFADMO CC[C@H](CNC(=O)C(=O)N1CCC[C@@H]1c1cc(C)on1)[N@H+]1CCc2ccccc2C1 ZINC000787632929 1076885227 /nfs/dbraw/zinc/88/52/27/1076885227.db2.gz UNVUSPDMUAETGJ-TZIWHRDSSA-N 1 1 410.518 2.600 20 0 HFADMO O=C(NC1CCCCC1)[C@H](Cc1ccccc1)Nc1nc(N2CCOCC2)cc[nH+]1 ZINC001170076188 1076906878 /nfs/dbraw/zinc/90/68/78/1076906878.db2.gz SUMURCQKIKYKEP-FQEVSTJZSA-N 1 1 409.534 2.785 20 0 HFADMO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000787680044 1076908951 /nfs/dbraw/zinc/90/89/51/1076908951.db2.gz ZZQXBWLAUVFXKA-ZHALLVOQSA-N 1 1 409.571 2.734 20 0 HFADMO COc1ccccc1N1CC[NH+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1 ZINC000787688094 1076911836 /nfs/dbraw/zinc/91/18/36/1076911836.db2.gz NKJHDBBSTMKDQS-KNQAVFIVSA-N 1 1 405.539 2.578 20 0 HFADMO C[NH+]1CCN(c2ncc(N[C@@H](Cc3ccccc3)C(=O)NC3CCCCC3)cn2)CC1 ZINC001170077183 1076914141 /nfs/dbraw/zinc/91/41/41/1076914141.db2.gz CIYXXPNYFCYLRZ-QFIPXVFZSA-N 1 1 422.577 2.701 20 0 HFADMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000787708170 1076920789 /nfs/dbraw/zinc/92/07/89/1076920789.db2.gz SFSHLXGZNCSDTH-JTSKRJEESA-N 1 1 405.539 2.934 20 0 HFADMO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000787708170 1076920790 /nfs/dbraw/zinc/92/07/90/1076920790.db2.gz SFSHLXGZNCSDTH-JTSKRJEESA-N 1 1 405.539 2.934 20 0 HFADMO Cc1ccc(-n2c(Cl)c(C[NH2+]C[C@H](C)CN3CCOCC3)nc2N(C)C)cc1 ZINC000787771894 1076942195 /nfs/dbraw/zinc/94/21/95/1076942195.db2.gz GDILPBHCLHHOGY-KRWDZBQOSA-N 1 1 405.974 2.958 20 0 HFADMO C[C@H](C(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1)[NH+]1CCSCC1 ZINC000787781706 1076944421 /nfs/dbraw/zinc/94/44/21/1076944421.db2.gz TVWHOGXXNZZPMW-QGZVFWFLSA-N 1 1 405.564 2.589 20 0 HFADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)C(C)(C)COCC(F)F)CC1 ZINC000787852816 1076965143 /nfs/dbraw/zinc/96/51/43/1076965143.db2.gz QJJQPLOVQXOEKV-INIZCTEOSA-N 1 1 412.477 2.743 20 0 HFADMO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787877830 1076973808 /nfs/dbraw/zinc/97/38/08/1076973808.db2.gz DIBVBBUUXOPEES-HOTGVXAUSA-N 1 1 405.543 2.737 20 0 HFADMO COc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)Cc3ccsc3C)CC2)cc1 ZINC000787860541 1076984023 /nfs/dbraw/zinc/98/40/23/1076984023.db2.gz BQCRDEKVPXSLOX-UHFFFAOYSA-N 1 1 416.543 2.885 20 0 HFADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N(C)Cc1ccn(-c2ccccc2)n1 ZINC000787903927 1076989004 /nfs/dbraw/zinc/98/90/04/1076989004.db2.gz ORYWIAHTBRMOMW-LJQANCHMSA-N 1 1 411.550 2.602 20 0 HFADMO CC(C)CCC[C@H](C)[N@H+]1CCOC[C@]2(CC[C@H](CNC(=O)c3cnccn3)O2)C1 ZINC001170079625 1076995284 /nfs/dbraw/zinc/99/52/84/1076995284.db2.gz FESAZUDYQHQNOP-JQVVWYNYSA-N 1 1 404.555 2.671 20 0 HFADMO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000787902107 1077005061 /nfs/dbraw/zinc/00/50/61/1077005061.db2.gz DOWCJLAONFZEEJ-FPOVZHCZSA-N 1 1 403.567 2.648 20 0 HFADMO C[C@@H](Cc1ccco1)NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000787961428 1077009975 /nfs/dbraw/zinc/00/99/75/1077009975.db2.gz LDRLKKKHKMNUIQ-YOEHRIQHSA-N 1 1 423.435 2.736 20 0 HFADMO C[C@@H](Cc1ccco1)NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000787961428 1077009982 /nfs/dbraw/zinc/00/99/82/1077009982.db2.gz LDRLKKKHKMNUIQ-YOEHRIQHSA-N 1 1 423.435 2.736 20 0 HFADMO C[C@H](Cc1ccco1)NC(=O)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000787963570 1077010571 /nfs/dbraw/zinc/01/05/71/1077010571.db2.gz OSRSLDKMIUADNA-QGZVFWFLSA-N 1 1 409.486 2.868 20 0 HFADMO C[C@H](Cc1ccco1)NC(=O)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000787963570 1077010578 /nfs/dbraw/zinc/01/05/78/1077010578.db2.gz OSRSLDKMIUADNA-QGZVFWFLSA-N 1 1 409.486 2.868 20 0 HFADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)CC1 ZINC000746721953 1077010762 /nfs/dbraw/zinc/01/07/62/1077010762.db2.gz XDEFLBZDFWDDOW-AWEZNQCLSA-N 1 1 410.465 2.666 20 0 HFADMO CCC[N@@H+](CC)CCNC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 ZINC000746718308 1077012820 /nfs/dbraw/zinc/01/28/20/1077012820.db2.gz GWRDJYMECCNMOP-UHFFFAOYSA-N 1 1 423.583 2.791 20 0 HFADMO CC(C)N(C(=O)C[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000788004237 1077026291 /nfs/dbraw/zinc/02/62/91/1077026291.db2.gz NSYJTPAFDWERQI-UHFFFAOYSA-N 1 1 405.539 2.780 20 0 HFADMO CC(C)Oc1ccc(CNC(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000787983351 1077032137 /nfs/dbraw/zinc/03/21/37/1077032137.db2.gz NUMOHICTYXQSBS-XMMPIXPASA-N 1 1 424.545 2.513 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC/C=C\CNC(=O)OC(C)(C)C ZINC000788035417 1077035698 /nfs/dbraw/zinc/03/56/98/1077035698.db2.gz SRGFNDFKPDXOLG-TXKXQZRUSA-N 1 1 402.539 2.887 20 0 HFADMO CC(C)CCC[C@H](C)[N@H+]1CCCn2c(=O)cc(CNC(=O)N3CCCC3)nc2C1 ZINC001170082164 1077065046 /nfs/dbraw/zinc/06/50/46/1077065046.db2.gz JELVLOPBOULXHE-SFHVURJKSA-N 1 1 403.571 2.969 20 0 HFADMO Cc1ccc(NC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cc1N1CCOC1=O ZINC000746729893 1077070015 /nfs/dbraw/zinc/07/00/15/1077070015.db2.gz GICZXTCDSBPHLM-UHFFFAOYSA-N 1 1 423.517 2.895 20 0 HFADMO Cc1nc(C[NH+]2CCC(CNC(=O)CC3CCC4(CC3)OCCO4)CC2)oc1C ZINC000788209678 1077079858 /nfs/dbraw/zinc/07/98/58/1077079858.db2.gz AQVDWJNMSKJJJM-UHFFFAOYSA-N 1 1 405.539 2.943 20 0 HFADMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cc(Br)ncc1Cl ZINC000788307503 1077093254 /nfs/dbraw/zinc/09/32/54/1077093254.db2.gz BJJMQHBXNSEXGA-UHFFFAOYSA-N 1 1 404.736 2.928 20 0 HFADMO C[C@@H](CN1CCOCC1)[N@H+](C)CN1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000788378462 1077135013 /nfs/dbraw/zinc/13/50/13/1077135013.db2.gz RTFDZIBKMVDDLH-HNNXBMFYSA-N 1 1 400.445 2.557 20 0 HFADMO C[C@@H](CN1CCOCC1)[N@@H+](C)CN1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000788378462 1077135015 /nfs/dbraw/zinc/13/50/15/1077135015.db2.gz RTFDZIBKMVDDLH-HNNXBMFYSA-N 1 1 400.445 2.557 20 0 HFADMO COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)NCCSC(C)(C)C)CC[N@@H+]2C2CC2)c1 ZINC000788378428 1077135058 /nfs/dbraw/zinc/13/50/58/1077135058.db2.gz FQXCQIXWEWXGJV-RBUKOAKNSA-N 1 1 419.591 2.737 20 0 HFADMO COc1cccc([C@@H]2[C@@H](NC(=O)C(=O)NCCSC(C)(C)C)CC[N@H+]2C2CC2)c1 ZINC000788378428 1077135060 /nfs/dbraw/zinc/13/50/60/1077135060.db2.gz FQXCQIXWEWXGJV-RBUKOAKNSA-N 1 1 419.591 2.737 20 0 HFADMO O=C1C[C@@H](Cc2ccccc2)C(=O)N1CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788381581 1077136715 /nfs/dbraw/zinc/13/67/15/1077136715.db2.gz FPVGNYSHHORYLD-HXUWFJFHSA-N 1 1 406.530 2.974 20 0 HFADMO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000788468796 1077169642 /nfs/dbraw/zinc/16/96/42/1077169642.db2.gz CRWMFLURQPHXGA-WBMJQRKESA-N 1 1 407.312 2.945 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)ccc1F ZINC000788491438 1077179460 /nfs/dbraw/zinc/17/94/60/1077179460.db2.gz OBJPSMFOPQCPEO-QGZVFWFLSA-N 1 1 408.451 2.798 20 0 HFADMO C[C@@H](Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000788608025 1077222172 /nfs/dbraw/zinc/22/21/72/1077222172.db2.gz HCTYPSOUGSMSGG-CYBMUJFWSA-N 1 1 423.485 2.699 20 0 HFADMO C[C@@H](Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000788608025 1077222174 /nfs/dbraw/zinc/22/21/74/1077222174.db2.gz HCTYPSOUGSMSGG-CYBMUJFWSA-N 1 1 423.485 2.699 20 0 HFADMO CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)=NO1 ZINC000788644012 1077222855 /nfs/dbraw/zinc/22/28/55/1077222855.db2.gz DMBYLQUNKSSULQ-SFHVURJKSA-N 1 1 422.570 2.771 20 0 HFADMO CCOC(=O)[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(CN(C)C)c2)CCN1C(=O)OC(C)(C)C ZINC000788613917 1077228060 /nfs/dbraw/zinc/22/80/60/1077228060.db2.gz YQDIWCJQDWDFJO-MOPGFXCFSA-N 1 1 423.529 2.918 20 0 HFADMO C[NH+](C)[C@@H](CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)c1ccco1 ZINC000788620774 1077231724 /nfs/dbraw/zinc/23/17/24/1077231724.db2.gz IGOHUAKATDZCGG-OTWHNJEPSA-N 1 1 422.485 2.590 20 0 HFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000788643433 1077245095 /nfs/dbraw/zinc/24/50/95/1077245095.db2.gz LVEAJYDIDSSAEE-IXDOHACOSA-N 1 1 410.559 2.530 20 0 HFADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000788663771 1077258873 /nfs/dbraw/zinc/25/88/73/1077258873.db2.gz WQFHOQGYNNPKAW-HKBOAZHASA-N 1 1 424.545 2.959 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000790975851 1077268567 /nfs/dbraw/zinc/26/85/67/1077268567.db2.gz VCSADMWXKBJYRX-QGZVFWFLSA-N 1 1 420.941 2.642 20 0 HFADMO CCCCOC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000790976236 1077268728 /nfs/dbraw/zinc/26/87/28/1077268728.db2.gz YYZJGVNQDJQGRK-SFHVURJKSA-N 1 1 403.523 2.819 20 0 HFADMO O=C(Nc1ccccc1)C1CC[NH+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)CC1 ZINC000788768146 1077282316 /nfs/dbraw/zinc/28/23/16/1077282316.db2.gz CPNXGCHQQOTVMR-FQEVSTJZSA-N 1 1 405.498 2.912 20 0 HFADMO O=C1C[C@@H](Cc2ccccc2)C(=O)N1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000788768941 1077282706 /nfs/dbraw/zinc/28/27/06/1077282706.db2.gz HOGIBBKOUTVYCG-CTNGQTDRSA-N 1 1 400.519 2.612 20 0 HFADMO Cc1ccc(NC(=O)C2CC[NH+](CN3C(=O)C[C@H](Cc4ccccc4)C3=O)CC2)nc1 ZINC000788771493 1077283565 /nfs/dbraw/zinc/28/35/65/1077283565.db2.gz LLCMZLLNYDZQKM-FQEVSTJZSA-N 1 1 420.513 2.616 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000791058736 1077285499 /nfs/dbraw/zinc/28/54/99/1077285499.db2.gz FIFQIAXBGRETMV-YJBOKZPZSA-N 1 1 419.570 2.984 20 0 HFADMO COc1cccc([C@H](C)[NH+]2CCN(CN3C(=O)C[C@@H](Cc4ccccc4)C3=O)CC2)c1 ZINC000788770737 1077286616 /nfs/dbraw/zinc/28/66/16/1077286616.db2.gz JVPOGDBRCKXWGT-SIKLNZKXSA-N 1 1 421.541 2.949 20 0 HFADMO CCOC(=O)[C@@H]1[C@H]([NH2+]Cc2ccc3c(n2)CCCC3)CCN1C(=O)OC(C)(C)C ZINC000788774901 1077297565 /nfs/dbraw/zinc/29/75/65/1077297565.db2.gz IPNCCWMPXKSLIL-MOPGFXCFSA-N 1 1 403.523 2.991 20 0 HFADMO CC(C)(C)OC(=O)NC/C=C\CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000791096979 1077299726 /nfs/dbraw/zinc/29/97/26/1077299726.db2.gz WRLZSLPKCGSLPT-PLNGDYQASA-N 1 1 418.538 2.764 20 0 HFADMO Cc1[nH+]ccn1CCCC(=O)N1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000791113232 1077301336 /nfs/dbraw/zinc/30/13/36/1077301336.db2.gz GPSHPLPXIBCYNZ-QGZVFWFLSA-N 1 1 410.396 2.570 20 0 HFADMO Cc1cc([C@@H](C)[NH2+]C[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)nn1C ZINC000788821696 1077309598 /nfs/dbraw/zinc/30/95/98/1077309598.db2.gz YJYLVNGAHCMWMG-ZBFHGGJFSA-N 1 1 419.492 2.863 20 0 HFADMO Cc1ccc(CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)c(N2CCCC2)[nH+]1 ZINC000788829806 1077312748 /nfs/dbraw/zinc/31/27/48/1077312748.db2.gz PZJVZXRBLZQUPE-NRFANRHFSA-N 1 1 421.545 2.933 20 0 HFADMO CC(C)[C@@H](NC(=O)NCC[NH+]1CCN(c2ccccc2)CC1)[C@H](O)c1ccccc1 ZINC000788863686 1077324160 /nfs/dbraw/zinc/32/41/60/1077324160.db2.gz FYBBFTBWVBSEHX-DHIUTWEWSA-N 1 1 410.562 2.866 20 0 HFADMO CN(C)c1cc[nH+]c(N[C@H]2CCN([C@@H](C(=O)OC(C)(C)C)c3ccccc3)C2=O)n1 ZINC000788873760 1077325861 /nfs/dbraw/zinc/32/58/61/1077325861.db2.gz ZPNDKOYMQKJABP-FUHWJXTLSA-N 1 1 411.506 2.638 20 0 HFADMO CC/C(=C/C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1)c1ccc(OC)cc1 ZINC000746773877 1077349198 /nfs/dbraw/zinc/34/91/98/1077349198.db2.gz ZXFNKIUMGOOASQ-ZPHPHTNESA-N 1 1 401.551 2.891 20 0 HFADMO CC/C(=C/C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1)c1ccc(OC)cc1 ZINC000746773877 1077349201 /nfs/dbraw/zinc/34/92/01/1077349201.db2.gz ZXFNKIUMGOOASQ-ZPHPHTNESA-N 1 1 401.551 2.891 20 0 HFADMO Cc1ccc(NC(=O)C(=O)NCCC[N@H+](C)Cc2ccccc2)cc1N1CCOC1=O ZINC000746778023 1077376194 /nfs/dbraw/zinc/37/61/94/1077376194.db2.gz LHLDZUUPPOXKRY-UHFFFAOYSA-N 1 1 424.501 2.528 20 0 HFADMO Cc1nccn1CCOC(=O)C12CCC(C(=O)OCCn3cc[nH+]c3C)(CC1)CC2 ZINC000788997054 1077376826 /nfs/dbraw/zinc/37/68/26/1077376826.db2.gz AIJFLVJOEGESLI-UHFFFAOYSA-N 1 1 414.506 2.824 20 0 HFADMO COc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)c1 ZINC000791334990 1077377376 /nfs/dbraw/zinc/37/73/76/1077377376.db2.gz DSWHVIQBBJKSDQ-UHFFFAOYSA-N 1 1 424.950 2.956 20 0 HFADMO O=C(Cc1cccnc1Br)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000791400468 1077399420 /nfs/dbraw/zinc/39/94/20/1077399420.db2.gz XXYZRRMKPHMQMH-GOSISDBHSA-N 1 1 418.335 2.660 20 0 HFADMO CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+](C[C@@H](O)c3ccccc3)C2)CC1 ZINC000791450803 1077411584 /nfs/dbraw/zinc/41/15/84/1077411584.db2.gz YACYNHPJCWSBTP-VQTJNVASSA-N 1 1 417.550 2.511 20 0 HFADMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](CCS(=O)(=O)Cc3ccccc3)C2)n1 ZINC000791474000 1077445382 /nfs/dbraw/zinc/44/53/82/1077445382.db2.gz VBPGJPFPIUMILD-IBGZPJMESA-N 1 1 401.532 2.656 20 0 HFADMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](CCS(=O)(=O)Cc3ccccc3)C2)n1 ZINC000791474000 1077445384 /nfs/dbraw/zinc/44/53/84/1077445384.db2.gz VBPGJPFPIUMILD-IBGZPJMESA-N 1 1 401.532 2.656 20 0 HFADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)COC(=O)[C@H]2CCC(=O)c3cccn32)CC1 ZINC000789221979 1077448857 /nfs/dbraw/zinc/44/88/57/1077448857.db2.gz JMLOAMDSAVTTQX-OAQYLSRUSA-N 1 1 423.513 2.592 20 0 HFADMO COc1cccc(C2=NO[C@H](C(=O)Nc3ccc(C[NH+]4CCN(C)CC4)cc3)C2)c1 ZINC000791510284 1077449215 /nfs/dbraw/zinc/44/92/15/1077449215.db2.gz ORPCTARCJCKTCB-QFIPXVFZSA-N 1 1 408.502 2.574 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000789221286 1077449261 /nfs/dbraw/zinc/44/92/61/1077449261.db2.gz CGSASZZEVZJMRZ-DLBZAZTESA-N 1 1 412.575 2.575 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000789221286 1077449264 /nfs/dbraw/zinc/44/92/64/1077449264.db2.gz CGSASZZEVZJMRZ-DLBZAZTESA-N 1 1 412.575 2.575 20 0 HFADMO CCC1=C(C(=O)O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CCCO1 ZINC000791539349 1077458974 /nfs/dbraw/zinc/45/89/74/1077458974.db2.gz JESAIKYDCWJVFL-QGZVFWFLSA-N 1 1 416.518 2.541 20 0 HFADMO C[C@@H]1C[C@@H](NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC000789251186 1077473973 /nfs/dbraw/zinc/47/39/73/1077473973.db2.gz QCKPPDBFDFYLCC-SJORKVTESA-N 1 1 412.575 2.527 20 0 HFADMO C[C@@H]1C[C@@H](NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC000789251186 1077473974 /nfs/dbraw/zinc/47/39/74/1077473974.db2.gz QCKPPDBFDFYLCC-SJORKVTESA-N 1 1 412.575 2.527 20 0 HFADMO C[C@@H]1C[N@@H+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@H](C2CC2)O1 ZINC000791552556 1077475693 /nfs/dbraw/zinc/47/56/93/1077475693.db2.gz IFERVALRWJSLHT-MBPVOVBZSA-N 1 1 404.551 2.983 20 0 HFADMO NS(=O)(=O)c1ccc(CC[N@@H+]2CCOc3c(Br)cccc3C2)cc1 ZINC000791562134 1077480117 /nfs/dbraw/zinc/48/01/17/1077480117.db2.gz AQQCKDHHVKVPHR-UHFFFAOYSA-N 1 1 411.321 2.534 20 0 HFADMO NS(=O)(=O)c1ccc(CC[N@H+]2CCOc3c(Br)cccc3C2)cc1 ZINC000791562134 1077480119 /nfs/dbraw/zinc/48/01/19/1077480119.db2.gz AQQCKDHHVKVPHR-UHFFFAOYSA-N 1 1 411.321 2.534 20 0 HFADMO O=C(CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccc(N2CCOCC2)cc1 ZINC000791619404 1077489168 /nfs/dbraw/zinc/48/91/68/1077489168.db2.gz BVJUVOAMHODAIM-SZPZYZBQSA-N 1 1 420.557 2.526 20 0 HFADMO CC(C)NC(=O)c1ccccc1NC(=O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791623319 1077490869 /nfs/dbraw/zinc/49/08/69/1077490869.db2.gz SUJFTIQRDMYSBM-OYRHEFFESA-N 1 1 420.557 2.827 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@H]3CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000791596146 1077496830 /nfs/dbraw/zinc/49/68/30/1077496830.db2.gz YTEDWRUSHCZFFC-JPYJTQIMSA-N 1 1 423.513 2.978 20 0 HFADMO Cc1ccc([C@H]2CC[N@@H+](CC(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)C2)c(C)c1 ZINC000791603730 1077501601 /nfs/dbraw/zinc/50/16/01/1077501601.db2.gz HDKWZPDSFLMLGK-MTTLDHAHSA-N 1 1 412.534 2.625 20 0 HFADMO Cc1ccc([C@H]2CC[N@H+](CC(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)C2)c(C)c1 ZINC000791603730 1077501605 /nfs/dbraw/zinc/50/16/05/1077501605.db2.gz HDKWZPDSFLMLGK-MTTLDHAHSA-N 1 1 412.534 2.625 20 0 HFADMO O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1c1ccccc1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001086600270 1077506119 /nfs/dbraw/zinc/50/61/19/1077506119.db2.gz KXGBNJSLJRFCGR-RBKMHILSSA-N 1 1 410.558 2.811 20 0 HFADMO COc1ccnc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1 ZINC001086600308 1077506312 /nfs/dbraw/zinc/50/63/12/1077506312.db2.gz NBUCRNXARPTDNE-RBKMHILSSA-N 1 1 419.525 2.598 20 0 HFADMO C[C@H](OC(=O)[C@@H]1CC(=O)c2ccccc21)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000789306121 1077507905 /nfs/dbraw/zinc/50/79/05/1077507905.db2.gz CAMXWZFYSWJMLA-DJPFJPOOSA-N 1 1 406.482 2.679 20 0 HFADMO CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+](C[C@@H](O)CC3CCCC3)C2)CC1 ZINC000789309786 1077509135 /nfs/dbraw/zinc/50/91/35/1077509135.db2.gz LPCPUXLKDVOANV-UXHICEINSA-N 1 1 423.598 2.719 20 0 HFADMO CCOCCCNC(=O)C1CC[NH+]([C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CC1 ZINC000789314688 1077510946 /nfs/dbraw/zinc/51/09/46/1077510946.db2.gz SJVFVGYCHTYGFL-OAQYLSRUSA-N 1 1 415.578 2.972 20 0 HFADMO Cc1cc(C)c(N2CC[C@H](N3CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)C2=O)c(C)c1 ZINC000789353615 1077513866 /nfs/dbraw/zinc/51/38/66/1077513866.db2.gz ZTPFZQNSAAVCIQ-KORDQABASA-N 1 1 410.606 2.960 20 0 HFADMO CN1C(=O)C[C@@H](C(=O)OCCC[NH+]2CCOCC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000791656548 1077514607 /nfs/dbraw/zinc/51/46/07/1077514607.db2.gz HSHMKWQEQCISCV-KDOFPFPSSA-N 1 1 415.317 2.778 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000789389924 1077533904 /nfs/dbraw/zinc/53/39/04/1077533904.db2.gz VSVBSFFKUUQTCO-UHFFFAOYSA-N 1 1 408.462 2.650 20 0 HFADMO CCC[C@H]1CN(C(=O)Nc2ccc(Br)nc2OC)CC[N@H+]1CCOC ZINC000789394016 1077535801 /nfs/dbraw/zinc/53/58/01/1077535801.db2.gz SDDLRQWYPZGUCC-ZDUSSCGKSA-N 1 1 415.332 2.817 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000789363153 1077538326 /nfs/dbraw/zinc/53/83/26/1077538326.db2.gz GOPOKFOHTKKHFA-OAHLLOKOSA-N 1 1 411.458 2.681 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000789363153 1077538330 /nfs/dbraw/zinc/53/83/30/1077538330.db2.gz GOPOKFOHTKKHFA-OAHLLOKOSA-N 1 1 411.458 2.681 20 0 HFADMO COc1cc(OC)c(OC)c2[nH]c(C(=O)OCCC[NH+]3CCN(C(C)C)CC3)cc21 ZINC000791719142 1077538414 /nfs/dbraw/zinc/53/84/14/1077538414.db2.gz ONUDROLDLDTHPY-UHFFFAOYSA-N 1 1 419.522 2.767 20 0 HFADMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000746803549 1077539484 /nfs/dbraw/zinc/53/94/84/1077539484.db2.gz MPQLWFIPWHAVNX-SNVBAGLBSA-N 1 1 405.367 2.511 20 0 HFADMO C[C@H](CCNC(=O)C(=O)Nc1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1ccccc1 ZINC000746809339 1077549399 /nfs/dbraw/zinc/54/93/99/1077549399.db2.gz IUARPUAZKBKLRY-QGZVFWFLSA-N 1 1 424.501 2.609 20 0 HFADMO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)C1=O ZINC000789445799 1077577018 /nfs/dbraw/zinc/57/70/18/1077577018.db2.gz VXLQEJNJDTZKTE-GOTSBHOMSA-N 1 1 410.518 2.677 20 0 HFADMO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@]3(C2)c2ccccc2NC3=O)C1=O ZINC000789445799 1077577026 /nfs/dbraw/zinc/57/70/26/1077577026.db2.gz VXLQEJNJDTZKTE-GOTSBHOMSA-N 1 1 410.518 2.677 20 0 HFADMO COC[C@H](Cc1ccccc1)[N@H+](C)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000789455112 1077580484 /nfs/dbraw/zinc/58/04/84/1077580484.db2.gz IHZNFSCGHQWNHH-INIZCTEOSA-N 1 1 415.559 2.854 20 0 HFADMO COC[C@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000789455112 1077580487 /nfs/dbraw/zinc/58/04/87/1077580487.db2.gz IHZNFSCGHQWNHH-INIZCTEOSA-N 1 1 415.559 2.854 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)C[C@H](c2ccccc2)N2CCOC2=O)CC1 ZINC000791840227 1077581042 /nfs/dbraw/zinc/58/10/42/1077581042.db2.gz WCYVADPFHVHEMP-HXUWFJFHSA-N 1 1 403.523 2.529 20 0 HFADMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000746823642 1077594389 /nfs/dbraw/zinc/59/43/89/1077594389.db2.gz CIHHJHZKJHQDDX-QGZVFWFLSA-N 1 1 405.539 2.638 20 0 HFADMO C[C@]1(c2ccccc2Br)NC(=O)N(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)C1=O ZINC000789499798 1077596933 /nfs/dbraw/zinc/59/69/33/1077596933.db2.gz BRKIVJQNHZLUPN-JTDSTZFVSA-N 1 1 422.323 2.817 20 0 HFADMO C[C@]1(c2ccccc2Br)NC(=O)N(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)C1=O ZINC000789499798 1077596937 /nfs/dbraw/zinc/59/69/37/1077596937.db2.gz BRKIVJQNHZLUPN-JTDSTZFVSA-N 1 1 422.323 2.817 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@](C)(O)c2ccccc2C(F)(F)F)CC1 ZINC000791912770 1077608414 /nfs/dbraw/zinc/60/84/14/1077608414.db2.gz SYQJTBRQIMIVFM-LJQANCHMSA-N 1 1 402.457 2.872 20 0 HFADMO COC(=O)/C=C/c1ccc(OCC[N@@H+](C)[C@H]2CCN(Cc3ccccc3)C2=O)cc1 ZINC000789521184 1077615055 /nfs/dbraw/zinc/61/50/55/1077615055.db2.gz LLHPHTPSGHSTPI-FLSMSTFGSA-N 1 1 408.498 2.985 20 0 HFADMO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CN1C[C@@H](COc2cc(C)cc(C)c2)OC1=O ZINC000789521250 1077615157 /nfs/dbraw/zinc/61/51/57/1077615157.db2.gz SSWCLEQSBBDRMY-ICSRJNTNSA-N 1 1 403.523 2.841 20 0 HFADMO CCNC(=O)C[C@@H]1CCCC[N@H+]1CN1C[C@@H](COc2cc(C)cc(C)c2)OC1=O ZINC000789521250 1077615160 /nfs/dbraw/zinc/61/51/60/1077615160.db2.gz SSWCLEQSBBDRMY-ICSRJNTNSA-N 1 1 403.523 2.841 20 0 HFADMO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CN1C(=O)N[C@](C)(c2ccc(F)cc2Cl)C1=O ZINC000789522815 1077617699 /nfs/dbraw/zinc/61/76/99/1077617699.db2.gz YKLHGGJEYQPGLT-VBKZILBWSA-N 1 1 424.904 2.584 20 0 HFADMO CCNC(=O)C[C@@H]1CCCC[N@H+]1CN1C(=O)N[C@](C)(c2ccc(F)cc2Cl)C1=O ZINC000789522815 1077617707 /nfs/dbraw/zinc/61/77/07/1077617707.db2.gz YKLHGGJEYQPGLT-VBKZILBWSA-N 1 1 424.904 2.584 20 0 HFADMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CCN1C(=O)COc2ccccc21 ZINC000791985443 1077623456 /nfs/dbraw/zinc/62/34/56/1077623456.db2.gz CDIIFRZROQUZST-ICSRJNTNSA-N 1 1 405.498 2.945 20 0 HFADMO COc1ccc(Br)cc1CC(=O)OCCC[NH+]1CCN(C(C)C)CC1 ZINC000791965656 1077637330 /nfs/dbraw/zinc/63/73/30/1077637330.db2.gz VKNUFDGSHZSVHW-UHFFFAOYSA-N 1 1 413.356 2.960 20 0 HFADMO C[C@]1(c2ccc(Br)cc2)NC(=O)N(C[N@@H+]2CC[C@@]3(C2)CCCOC3)C1=O ZINC000789546635 1077638845 /nfs/dbraw/zinc/63/88/45/1077638845.db2.gz RKHAUMSUTCQDKD-RTBURBONSA-N 1 1 422.323 2.676 20 0 HFADMO C[C@]1(c2ccc(Br)cc2)NC(=O)N(C[N@H+]2CC[C@@]3(C2)CCCOC3)C1=O ZINC000789546635 1077638846 /nfs/dbraw/zinc/63/88/46/1077638846.db2.gz RKHAUMSUTCQDKD-RTBURBONSA-N 1 1 422.323 2.676 20 0 HFADMO COc1ccc(-c2cc(C(=O)OCCC[NH+]3CCN(C(C)C)CC3)n[nH]2)cc1OC ZINC000791993280 1077640480 /nfs/dbraw/zinc/64/04/80/1077640480.db2.gz FRCNSDHFDTVXIV-UHFFFAOYSA-N 1 1 416.522 2.667 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)c2ccc(=O)n(-c3cccc(F)c3)c2)CC1 ZINC000791993873 1077640871 /nfs/dbraw/zinc/64/08/71/1077640871.db2.gz XCJCYOVXTJHYAM-UHFFFAOYSA-N 1 1 401.482 2.550 20 0 HFADMO CCNC(=O)c1ccc(C)c(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792059346 1077665867 /nfs/dbraw/zinc/66/58/67/1077665867.db2.gz DVWJBPGRSKZWKM-UHFFFAOYSA-N 1 1 418.538 2.626 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3ccc(-n4cc[nH+]c4C)nc3)C2)c1 ZINC000792063053 1077671322 /nfs/dbraw/zinc/67/13/22/1077671322.db2.gz ZDTBDDPSIOHQPA-LJQANCHMSA-N 1 1 407.430 2.725 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2ccc(N3CCCCC3)cn2)CC1 ZINC000792079546 1077676005 /nfs/dbraw/zinc/67/60/05/1077676005.db2.gz OHTFWEJCXSPKQP-UHFFFAOYSA-N 1 1 417.554 2.953 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@@H]2COc3ccc(Br)cc32)CC1 ZINC000792072746 1077679381 /nfs/dbraw/zinc/67/93/81/1077679381.db2.gz XUXDJMSLQWDQTI-QGZVFWFLSA-N 1 1 411.340 2.884 20 0 HFADMO NC(=O)C1=NO[C@@H](C[NH2+]Cc2cc(Br)ccc2OCc2ccccc2)C1 ZINC000789562200 1077680686 /nfs/dbraw/zinc/68/06/86/1077680686.db2.gz WCALXYVUGJAJBB-MRXNPFEDSA-N 1 1 418.291 2.748 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2Cc3cc(Br)ccc3O2)cn1 ZINC000792074855 1077681638 /nfs/dbraw/zinc/68/16/38/1077681638.db2.gz GIRXGMBYBGEMNM-QGZVFWFLSA-N 1 1 413.275 2.958 20 0 HFADMO CCCOc1ccc(CNC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)c(C)c1 ZINC000789614178 1077683781 /nfs/dbraw/zinc/68/37/81/1077683781.db2.gz MRNRLSGADKDVMA-UHFFFAOYSA-N 1 1 407.474 2.928 20 0 HFADMO Cc1ccc(-c2n[nH]c(SCC(=O)OCCCN3CC[NH+](C(C)C)CC3)n2)cc1 ZINC000792036597 1077687623 /nfs/dbraw/zinc/68/76/23/1077687623.db2.gz PZUFQJYFGRFCOI-UHFFFAOYSA-N 1 1 417.579 2.832 20 0 HFADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN[C@@H](c2cnn(C)c2)C1 ZINC001170113212 1077687828 /nfs/dbraw/zinc/68/78/28/1077687828.db2.gz WBQJSSBQFVOLCU-YMPZKCBVSA-N 1 1 409.578 2.687 20 0 HFADMO C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1ccc2c(c1)OCO2 ZINC000792039356 1077689266 /nfs/dbraw/zinc/68/92/66/1077689266.db2.gz PSOWLHFUIHRYQE-OAHLLOKOSA-N 1 1 405.495 2.535 20 0 HFADMO COc1ccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1NC(C)=O ZINC000792044923 1077692002 /nfs/dbraw/zinc/69/20/02/1077692002.db2.gz RGRBPFXNARVNHS-UHFFFAOYSA-N 1 1 420.510 2.535 20 0 HFADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792103018 1077697867 /nfs/dbraw/zinc/69/78/67/1077697867.db2.gz DQWCARLDSANTQV-ZCNNSNEGSA-N 1 1 422.614 2.793 20 0 HFADMO Cc1ccc(N2CC[C@H](NC(=O)N3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)C2=O)cc1 ZINC000792105566 1077698831 /nfs/dbraw/zinc/69/88/31/1077698831.db2.gz KGSWBEWAWHTZAS-XJUOHMSHSA-N 1 1 418.541 2.874 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)c2cn(-c3cccc(Cl)c3F)nn2)CC1 ZINC000792110059 1077700970 /nfs/dbraw/zinc/70/09/70/1077700970.db2.gz HMSYGUAVBSSDNC-UHFFFAOYSA-N 1 1 409.893 2.633 20 0 HFADMO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CC(c3cc(OC)ccc3OC)=NO2)c1 ZINC000792079284 1077704564 /nfs/dbraw/zinc/70/45/64/1077704564.db2.gz JGRWSXXTRFYZIL-QFIPXVFZSA-N 1 1 411.502 2.965 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)c2ccc(-n3cnc4ccccc43)nc2)CC1 ZINC000792087127 1077710571 /nfs/dbraw/zinc/71/05/71/1077710571.db2.gz KNVAVCFOFFXHAA-UHFFFAOYSA-N 1 1 407.518 2.993 20 0 HFADMO O=C(NCC[S@](=O)Cc1ccccc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792095585 1077713339 /nfs/dbraw/zinc/71/33/39/1077713339.db2.gz AWSBHGADLRIVOZ-KERYWQKISA-N 1 1 411.571 2.709 20 0 HFADMO CC(=O)Nc1ccc(C)cc1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792130672 1077716682 /nfs/dbraw/zinc/71/66/82/1077716682.db2.gz ACELQLIGHIXBJW-UHFFFAOYSA-N 1 1 404.511 2.835 20 0 HFADMO COc1cccc(C2=NO[C@H](C(=O)NC[C@@H]3CC[N@@H+](CCc4ccccc4)C3)C2)c1 ZINC000792137442 1077718946 /nfs/dbraw/zinc/71/89/46/1077718946.db2.gz RHRRSDDJVZWTOW-CVDCTZTESA-N 1 1 407.514 2.869 20 0 HFADMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CO[NH+]=C(N)CCNC(=O)OC(C)(C)C ZINC000789651419 1077719718 /nfs/dbraw/zinc/71/97/18/1077719718.db2.gz HBCRBWDUXMKPMT-GFCCVEGCSA-N 1 1 414.453 2.897 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N[C@H]2CCCOc3ccccc32)CC1 ZINC000792120560 1077727907 /nfs/dbraw/zinc/72/79/07/1077727907.db2.gz JBDXVNIURNBRAB-SFHVURJKSA-N 1 1 403.523 2.959 20 0 HFADMO COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000792177662 1077735556 /nfs/dbraw/zinc/73/55/56/1077735556.db2.gz FYORQHOVKXGHTI-PMXSJFBMSA-N 1 1 414.550 2.627 20 0 HFADMO COC(=O)N1CCC([C@@H](C)NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000792177128 1077735943 /nfs/dbraw/zinc/73/59/43/1077735943.db2.gz BHFAVYHPTJMNFT-IEBWSBKVSA-N 1 1 402.539 2.675 20 0 HFADMO C[C@H](CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)C[NH+]1CCOCC1 ZINC000792193896 1077740009 /nfs/dbraw/zinc/74/00/09/1077740009.db2.gz LPLTUFBYIBQDBZ-APWZRJJASA-N 1 1 423.529 2.519 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCOC[C@@H]2c2ccccc2)CC1 ZINC000792206393 1077745847 /nfs/dbraw/zinc/74/58/47/1077745847.db2.gz JKRNVWWJXAABHC-LJQANCHMSA-N 1 1 403.523 2.529 20 0 HFADMO Cc1ccnc(C[N@H+]2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000792207620 1077746214 /nfs/dbraw/zinc/74/62/14/1077746214.db2.gz DDSOGDYIYMKLIR-SFHVURJKSA-N 1 1 402.539 2.681 20 0 HFADMO CCOC(=O)N(C)C1CCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000792228122 1077753356 /nfs/dbraw/zinc/75/33/56/1077753356.db2.gz RVCHYYDPKFBHLU-LJQANCHMSA-N 1 1 402.539 2.771 20 0 HFADMO CS(=O)(=O)N(CC[N@H+](C[C@H](O)c1ccc(F)cc1)C1CC1)Cc1ccccc1 ZINC000792236319 1077758489 /nfs/dbraw/zinc/75/84/89/1077758489.db2.gz JRMDZLMHANOFEG-NRFANRHFSA-N 1 1 406.523 2.785 20 0 HFADMO CS(=O)(=O)N(CC[N@@H+](C[C@H](O)c1ccc(F)cc1)C1CC1)Cc1ccccc1 ZINC000792236319 1077758495 /nfs/dbraw/zinc/75/84/95/1077758495.db2.gz JRMDZLMHANOFEG-NRFANRHFSA-N 1 1 406.523 2.785 20 0 HFADMO COC(=O)[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792239328 1077760066 /nfs/dbraw/zinc/76/00/66/1077760066.db2.gz FSQGYXLFRJADIN-ZWKOTPCHSA-N 1 1 406.910 2.658 20 0 HFADMO CN(Cc1nc2c(s1)CCCC2)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792214157 1077768505 /nfs/dbraw/zinc/76/85/05/1077768505.db2.gz LVSVWOJPDCLIFV-UHFFFAOYSA-N 1 1 422.595 2.923 20 0 HFADMO Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1C(=O)N(C)C ZINC000792214070 1077768538 /nfs/dbraw/zinc/76/85/38/1077768538.db2.gz HKCNPGCHBVXLHF-UHFFFAOYSA-N 1 1 418.538 2.578 20 0 HFADMO COc1ccc(C[C@H](C)CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000792284760 1077774549 /nfs/dbraw/zinc/77/45/49/1077774549.db2.gz JAPJGQFVGFPBOA-SFHVURJKSA-N 1 1 419.566 2.933 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)C2(c3cncc(Br)c3)CC2)CC1 ZINC000792292885 1077777859 /nfs/dbraw/zinc/77/78/59/1077777859.db2.gz AUUCDNSUMSCMAC-UHFFFAOYSA-N 1 1 410.356 2.835 20 0 HFADMO CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792292835 1077777987 /nfs/dbraw/zinc/77/79/87/1077777987.db2.gz DNBANRPMYBYAFJ-OXJNMPFZSA-N 1 1 423.529 2.961 20 0 HFADMO CC[NH+](CC)CCOC(=O)c1cccc(NS(=O)(=O)c2ccccc2OC)c1 ZINC000789749302 1077781074 /nfs/dbraw/zinc/78/10/74/1077781074.db2.gz CFVXPIGFUVXTQE-UHFFFAOYSA-N 1 1 406.504 2.995 20 0 HFADMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000746853377 1077786301 /nfs/dbraw/zinc/78/63/01/1077786301.db2.gz UTMIGKAEPOORJK-SJORKVTESA-N 1 1 424.611 2.656 20 0 HFADMO CCn1ccc(CN(C)C(=O)C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c1 ZINC000792299903 1077794929 /nfs/dbraw/zinc/79/49/29/1077794929.db2.gz WKFGPZCYOUVFIF-UHFFFAOYSA-N 1 1 417.941 2.510 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCC[C@H](C[C@@H]3CCOC3)C2)CC1 ZINC000792300316 1077795928 /nfs/dbraw/zinc/79/59/28/1077795928.db2.gz RQVFIIPEHUOPRA-MOPGFXCFSA-N 1 1 409.571 2.594 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[N@H+](CCOC(=O)[C@@H]2COc3ccccc3C2)CC1 ZINC000789791545 1077797489 /nfs/dbraw/zinc/79/74/89/1077797489.db2.gz DVRPUIKXYLVVMW-SFHVURJKSA-N 1 1 404.507 2.724 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[N@@H+](CCOC(=O)[C@@H]2COc3ccccc3C2)CC1 ZINC000789791545 1077797498 /nfs/dbraw/zinc/79/74/98/1077797498.db2.gz DVRPUIKXYLVVMW-SFHVURJKSA-N 1 1 404.507 2.724 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[N@H+](CCOC(=O)c2ccc(-n3ccnc3)cc2)CC1 ZINC000789791952 1077798538 /nfs/dbraw/zinc/79/85/38/1077798538.db2.gz NHLSWHYPQKOQOF-UHFFFAOYSA-N 1 1 414.506 2.972 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[N@@H+](CCOC(=O)c2ccc(-n3ccnc3)cc2)CC1 ZINC000789791952 1077798544 /nfs/dbraw/zinc/79/85/44/1077798544.db2.gz NHLSWHYPQKOQOF-UHFFFAOYSA-N 1 1 414.506 2.972 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CC[C@H](COc3ccccc3)C2)CC1 ZINC000792307963 1077798571 /nfs/dbraw/zinc/79/85/71/1077798571.db2.gz SZLCTWAZPHXDNJ-IBGZPJMESA-N 1 1 417.550 2.857 20 0 HFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000792310948 1077800887 /nfs/dbraw/zinc/80/08/87/1077800887.db2.gz JHOGDISQOFHYHB-QGZVFWFLSA-N 1 1 414.591 2.632 20 0 HFADMO C[C@@H]1COc2ccccc2CN1C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792310738 1077800974 /nfs/dbraw/zinc/80/09/74/1077800974.db2.gz MMXZBPUFTZOALR-QGZVFWFLSA-N 1 1 403.523 2.739 20 0 HFADMO COc1cccc2c1CCN(C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC000792311904 1077801607 /nfs/dbraw/zinc/80/16/07/1077801607.db2.gz ZGICWYJNVXVIIK-UHFFFAOYSA-N 1 1 403.523 2.523 20 0 HFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000792315718 1077803755 /nfs/dbraw/zinc/80/37/55/1077803755.db2.gz FUCJGHGUIMFWSM-SJORKVTESA-N 1 1 412.575 2.527 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000792322564 1077806426 /nfs/dbraw/zinc/80/64/26/1077806426.db2.gz VTBFFEMLOUFFOX-IBGZPJMESA-N 1 1 421.513 2.748 20 0 HFADMO C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NCc3ccc(C4CC4)cc3)cc2)CC1 ZINC000792362696 1077815833 /nfs/dbraw/zinc/81/58/33/1077815833.db2.gz LKCPSCPPYLFHFY-UHFFFAOYSA-N 1 1 406.530 2.961 20 0 HFADMO CCn1cc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3cc(C)ccc3n2)cn1 ZINC000792364241 1077816701 /nfs/dbraw/zinc/81/67/01/1077816701.db2.gz FHTWUTGWLUEDQG-QFIPXVFZSA-N 1 1 417.513 2.955 20 0 HFADMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccnn1C1CCCCC1 ZINC000792370500 1077819192 /nfs/dbraw/zinc/81/91/92/1077819192.db2.gz ZXLCIQIMXRWJBI-LJQANCHMSA-N 1 1 409.534 2.965 20 0 HFADMO C[N@H+]1CCC[C@@H](CCNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)C1 ZINC001626112177 1077830469 /nfs/dbraw/zinc/83/04/69/1077830469.db2.gz XKJJULULSZYBHE-IBGZPJMESA-N 1 1 404.514 2.907 20 0 HFADMO COc1nc(Br)ccc1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000789876663 1077832177 /nfs/dbraw/zinc/83/21/77/1077832177.db2.gz CAGGOLNKEJDYPV-UHFFFAOYSA-N 1 1 419.323 2.609 20 0 HFADMO CCC[C@H](NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1)[C@@H](O)c1ccccc1 ZINC000792405268 1077838352 /nfs/dbraw/zinc/83/83/52/1077838352.db2.gz HWKVJEPBVKXGLS-ICSRJNTNSA-N 1 1 407.474 2.533 20 0 HFADMO CC(C)(C)OC(=O)NC1(CC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000746863129 1077855914 /nfs/dbraw/zinc/85/59/14/1077855914.db2.gz SUHOIJQLFDVMTA-QHCPKHFHSA-N 1 1 417.550 2.577 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(N3C[C@@H](C)O[C@@H](C)C3)ccn2)cn1 ZINC000789958499 1077868987 /nfs/dbraw/zinc/86/89/87/1077868987.db2.gz WFLOMFUQNUOVJW-IYBDPMFKSA-N 1 1 406.490 2.514 20 0 HFADMO C[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)c1nnnn1C1CC1 ZINC000792470356 1077871872 /nfs/dbraw/zinc/87/18/72/1077871872.db2.gz REAMJARTJPKFCG-SKDRFNHKSA-N 1 1 416.707 2.514 20 0 HFADMO Cc1ccccc1C[NH+]1CCN(C(=O)Cn2ccnc2[C@@H](O)c2ccccc2)CC1 ZINC000789969283 1077876286 /nfs/dbraw/zinc/87/62/86/1077876286.db2.gz XXICBFZGKOGKEG-QHCPKHFHSA-N 1 1 404.514 2.618 20 0 HFADMO C[N@@H+](CCNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)C1CCCC1 ZINC000789976903 1077879741 /nfs/dbraw/zinc/87/97/41/1077879741.db2.gz SGGIZXCHILJDQO-PMACEKPBSA-N 1 1 410.518 2.569 20 0 HFADMO CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792490121 1077880343 /nfs/dbraw/zinc/88/03/43/1077880343.db2.gz NXYNCDZQYBPSQD-UHFFFAOYSA-N 1 1 407.559 2.608 20 0 HFADMO CC(C)(C)OC(=O)C[C@H]1C[C@@H](CNc2nc(Cl)nc3c2C[NH2+]C3)OC(C)(C)O1 ZINC001170208147 1077907304 /nfs/dbraw/zinc/90/73/04/1077907304.db2.gz BEOXDCMIMUOYMK-NEPJUHHUSA-N 1 1 412.918 2.787 20 0 HFADMO CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3CN(Cc4cccc(OC)c4)S(=O)(=O)[C@@H]3CC2)CCO1 ZINC001170214704 1077908751 /nfs/dbraw/zinc/90/87/51/1077908751.db2.gz SOXCTTJZCLQLDG-XAPVIXHLSA-N 1 1 422.591 2.879 20 0 HFADMO Cc1ccc(S(=O)(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c(Cl)n1 ZINC000790009838 1077911763 /nfs/dbraw/zinc/91/17/63/1077911763.db2.gz ANAOEVRMHDONQM-OAHLLOKOSA-N 1 1 409.939 2.743 20 0 HFADMO Cc1ccc(S(=O)(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c(Cl)n1 ZINC000790009838 1077911767 /nfs/dbraw/zinc/91/17/67/1077911767.db2.gz ANAOEVRMHDONQM-OAHLLOKOSA-N 1 1 409.939 2.743 20 0 HFADMO CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CC)[C@H]3CC2)CCO1 ZINC001170222222 1077916386 /nfs/dbraw/zinc/91/63/86/1077916386.db2.gz PVAOFSSKRIPRIR-RDGPPVDQSA-N 1 1 408.564 2.880 20 0 HFADMO Cc1cc(C)cc([C@H](O)C[NH+]2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)c1 ZINC001170264622 1077921188 /nfs/dbraw/zinc/92/11/88/1077921188.db2.gz SWUDCFHTZQZXMJ-QRVBRYPASA-N 1 1 414.468 2.885 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@@H+]1C[C@@H](NC(=O)c2cnccn2)[C@H]2OCCC[C@H]2C1 ZINC001170274310 1077926157 /nfs/dbraw/zinc/92/61/57/1077926157.db2.gz BACJYPZTYKNZSE-UWGQAIRJSA-N 1 1 414.937 2.970 20 0 HFADMO C[C@@H](Cc1ccccc1Cl)[N@H+]1C[C@@H]2COC[C@@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001170275361 1077926512 /nfs/dbraw/zinc/92/65/12/1077926512.db2.gz GPSATDLCEBBDHK-DZOHQFGASA-N 1 1 400.910 2.894 20 0 HFADMO O=C(C[C@@H](O)c1cccc(F)c1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000772810339 1077929183 /nfs/dbraw/zinc/92/91/83/1077929183.db2.gz JNTXPSNVLPQKIN-HXUWFJFHSA-N 1 1 405.901 2.841 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@H+]1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001170284477 1077937576 /nfs/dbraw/zinc/93/75/76/1077937576.db2.gz OBJALBYOHBVKMY-SJORKVTESA-N 1 1 424.936 2.820 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@@H+]1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001170284477 1077937579 /nfs/dbraw/zinc/93/75/79/1077937579.db2.gz OBJALBYOHBVKMY-SJORKVTESA-N 1 1 424.936 2.820 20 0 HFADMO C[C@H]1CN(Cc2cccc(S(=O)(=O)N(C)C)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001170333752 1077946138 /nfs/dbraw/zinc/94/61/38/1077946138.db2.gz QZWUWORGKAFILK-LJQANCHMSA-N 1 1 401.576 2.891 20 0 HFADMO Cc1sc(=O)n(CC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)c1-c1ccc(F)cc1 ZINC000790124974 1077959328 /nfs/dbraw/zinc/95/93/28/1077959328.db2.gz ONPFEIYPJQBJKV-UHFFFAOYSA-N 1 1 421.538 2.594 20 0 HFADMO Cc1sc(=O)n(CC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)c1-c1ccc(F)cc1 ZINC000790124974 1077959330 /nfs/dbraw/zinc/95/93/30/1077959330.db2.gz ONPFEIYPJQBJKV-UHFFFAOYSA-N 1 1 421.538 2.594 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC000790126363 1077959521 /nfs/dbraw/zinc/95/95/21/1077959521.db2.gz YHMSAHXSRQAJQN-UHFFFAOYSA-N 1 1 417.428 2.980 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC000790126363 1077959523 /nfs/dbraw/zinc/95/95/23/1077959523.db2.gz YHMSAHXSRQAJQN-UHFFFAOYSA-N 1 1 417.428 2.980 20 0 HFADMO CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000790126396 1077959584 /nfs/dbraw/zinc/95/95/84/1077959584.db2.gz ZWMOYMFJUBDENU-MSOLQXFVSA-N 1 1 421.538 2.819 20 0 HFADMO CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000790126396 1077959586 /nfs/dbraw/zinc/95/95/86/1077959586.db2.gz ZWMOYMFJUBDENU-MSOLQXFVSA-N 1 1 421.538 2.819 20 0 HFADMO CCOc1cc2c(cc1/C=C\C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)O[C@H](C)C2 ZINC000790125994 1077960047 /nfs/dbraw/zinc/96/00/47/1077960047.db2.gz IGXWHKYJBRXGEU-CBETYXLMSA-N 1 1 402.535 2.990 20 0 HFADMO CCOc1cc2c(cc1/C=C\C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)O[C@H](C)C2 ZINC000790125994 1077960048 /nfs/dbraw/zinc/96/00/48/1077960048.db2.gz IGXWHKYJBRXGEU-CBETYXLMSA-N 1 1 402.535 2.990 20 0 HFADMO COC(=O)CCN1CCC[C@@H]([N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)C1=O ZINC001170412683 1077967164 /nfs/dbraw/zinc/96/71/64/1077967164.db2.gz SUTPGOHSCIBZMJ-NVXWUHKLSA-N 1 1 409.324 2.793 20 0 HFADMO COC(=O)CCN1CCC[C@@H]([N@H+]2CC[C@@H](c3cccc(Br)c3)C2)C1=O ZINC001170412683 1077967166 /nfs/dbraw/zinc/96/71/66/1077967166.db2.gz SUTPGOHSCIBZMJ-NVXWUHKLSA-N 1 1 409.324 2.793 20 0 HFADMO C[C@@H](OC(=O)Cc1ccc(Cl)cn1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792718421 1077973439 /nfs/dbraw/zinc/97/34/39/1077973439.db2.gz QAJLVHVWMFDBCL-DNVCBOLYSA-N 1 1 401.894 2.600 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCO[C@@H](COc3ccccc3)C2)cn1 ZINC000790233857 1077981956 /nfs/dbraw/zinc/98/19/56/1077981956.db2.gz FKCLMTZQWYMOBQ-HXUWFJFHSA-N 1 1 407.474 2.565 20 0 HFADMO Cc1ccc(CCC(=O)OCC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1Cl ZINC000792755493 1077986436 /nfs/dbraw/zinc/98/64/36/1077986436.db2.gz GYWHZXLMVVCACQ-GOSISDBHSA-N 1 1 410.942 2.597 20 0 HFADMO CN(C)S(=O)(=O)c1cccc(NC(=S)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000772819886 1077988056 /nfs/dbraw/zinc/98/80/56/1077988056.db2.gz SQMVMUTYRIYQRG-BEFAXECRSA-N 1 1 422.620 2.582 20 0 HFADMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790267096 1077990870 /nfs/dbraw/zinc/99/08/70/1077990870.db2.gz LBSRWOUUKMHWIR-OXJNMPFZSA-N 1 1 401.532 2.518 20 0 HFADMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790267098 1077990899 /nfs/dbraw/zinc/99/08/99/1077990899.db2.gz LBSRWOUUKMHWIR-OXQOHEQNSA-N 1 1 401.532 2.518 20 0 HFADMO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CN1C[C@]2(CN3CCC2CC3)OC1=O ZINC000790364061 1078005118 /nfs/dbraw/zinc/00/51/18/1078005118.db2.gz DGCAWXNLVNCOMT-URXFXBBRSA-N 1 1 412.578 2.705 20 0 HFADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CN1C[C@]2(CN3CCC2CC3)OC1=O ZINC000790364061 1078005125 /nfs/dbraw/zinc/00/51/25/1078005125.db2.gz DGCAWXNLVNCOMT-URXFXBBRSA-N 1 1 412.578 2.705 20 0 HFADMO Cc1[nH+]ccn1CCCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000792827327 1078006695 /nfs/dbraw/zinc/00/66/95/1078006695.db2.gz CFSUZVGPLWLZQY-HXUWFJFHSA-N 1 1 413.522 2.930 20 0 HFADMO C[C@]1(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000792857381 1078009648 /nfs/dbraw/zinc/00/96/48/1078009648.db2.gz YYTNHVMVVZAEIQ-IPJJNNNSSA-N 1 1 400.523 2.714 20 0 HFADMO O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)NCc1cccnc1F ZINC000792853676 1078015131 /nfs/dbraw/zinc/01/51/31/1078015131.db2.gz SIWBOWVDKNIFRF-UHFFFAOYSA-N 1 1 405.905 2.886 20 0 HFADMO O[C@H](C[C@@H]1COCCN1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccco1 ZINC000792873457 1078021765 /nfs/dbraw/zinc/02/17/65/1078021765.db2.gz SYNLGAVHWFVIEJ-BHIFYINESA-N 1 1 400.519 2.695 20 0 HFADMO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cn1 ZINC000790420174 1078022360 /nfs/dbraw/zinc/02/23/60/1078022360.db2.gz GSQDMQHAALHSKF-PIPMEXSNSA-N 1 1 411.550 2.773 20 0 HFADMO C[C@@]12CC[N@H+](CC(=O)N3CCN(Cc4ccsc4)CC3)C[C@@H]1C2(Cl)Cl ZINC000792911527 1078023281 /nfs/dbraw/zinc/02/32/81/1078023281.db2.gz XKICWGQBWKQMEG-DOTOQJQBSA-N 1 1 402.391 2.908 20 0 HFADMO C[C@@]12CC[N@@H+](CC(=O)N3CCN(Cc4ccsc4)CC3)C[C@@H]1C2(Cl)Cl ZINC000792911527 1078023288 /nfs/dbraw/zinc/02/32/88/1078023288.db2.gz XKICWGQBWKQMEG-DOTOQJQBSA-N 1 1 402.391 2.908 20 0 HFADMO CCNC(=O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000792923260 1078026760 /nfs/dbraw/zinc/02/67/60/1078026760.db2.gz BSHJRPAGYKTIKF-LVCYWYKZSA-N 1 1 416.566 2.619 20 0 HFADMO COC(=O)c1c2cnn(C[N@@H+](C)CCc3cnccn3)c2ccc1Br ZINC000790442667 1078033045 /nfs/dbraw/zinc/03/30/45/1078033045.db2.gz OIOCRNALCWRRBN-UHFFFAOYSA-N 1 1 404.268 2.507 20 0 HFADMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CN2Cc3ccc(OC)cc3C2=O)C1 ZINC000790444056 1078033420 /nfs/dbraw/zinc/03/34/20/1078033420.db2.gz QBTQFVIESVKFOQ-OAHLLOKOSA-N 1 1 413.440 2.731 20 0 HFADMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](CN2Cc3ccc(OC)cc3C2=O)C1 ZINC000790444056 1078033424 /nfs/dbraw/zinc/03/34/24/1078033424.db2.gz QBTQFVIESVKFOQ-OAHLLOKOSA-N 1 1 413.440 2.731 20 0 HFADMO O=C(NC[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1)OCc1ccccc1 ZINC000792951275 1078033512 /nfs/dbraw/zinc/03/35/12/1078033512.db2.gz QTNZMZIYOWCAOF-LEWJYISDSA-N 1 1 414.550 2.819 20 0 HFADMO COC(=O)c1c2cnn(CN3CC[N@@H+](C)C[C@H]3C(C)C)c2ccc1Br ZINC000790444960 1078033726 /nfs/dbraw/zinc/03/37/26/1078033726.db2.gz WZJMVIQQATVVGU-INIZCTEOSA-N 1 1 409.328 2.815 20 0 HFADMO COC(=O)c1c2cnn(C[N@H+]3CC[C@H]([C@@H]4CCOC4)C3)c2ccc1Br ZINC000790443413 1078033809 /nfs/dbraw/zinc/03/38/09/1078033809.db2.gz VKEGVVQOZMYBKT-QWHCGFSZSA-N 1 1 408.296 2.901 20 0 HFADMO COC(=O)CC[N@@H+](Cn1ncc2c1ccc(Br)c2C(=O)OC)C(C)C ZINC000790447625 1078034673 /nfs/dbraw/zinc/03/46/73/1078034673.db2.gz VNVLHSBNLSFORJ-UHFFFAOYSA-N 1 1 412.284 2.816 20 0 HFADMO O=C(Nc1cccc(F)n1)C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000792957719 1078035209 /nfs/dbraw/zinc/03/52/09/1078035209.db2.gz ZLNSMXGVCXGNQY-UHFFFAOYSA-N 1 1 424.398 2.913 20 0 HFADMO O=C(Nc1cccc(F)n1)C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000792957719 1078035212 /nfs/dbraw/zinc/03/52/12/1078035212.db2.gz ZLNSMXGVCXGNQY-UHFFFAOYSA-N 1 1 424.398 2.913 20 0 HFADMO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)nc1Br ZINC000792967626 1078038041 /nfs/dbraw/zinc/03/80/41/1078038041.db2.gz CQVZAYQDGHRPMS-SCRDCRAPSA-N 1 1 411.344 2.574 20 0 HFADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792969873 1078039232 /nfs/dbraw/zinc/03/92/32/1078039232.db2.gz RZFSLBFYQKHWBT-ZFWWWQNUSA-N 1 1 417.307 2.734 20 0 HFADMO COCC[N@@H+](CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O)[C@@H]1CC[C@H](C)C1 ZINC000790480152 1078040678 /nfs/dbraw/zinc/04/06/78/1078040678.db2.gz QJZPCWIBKRABTJ-ZLCDGRSFSA-N 1 1 417.550 2.841 20 0 HFADMO Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc1Br ZINC000793019828 1078042500 /nfs/dbraw/zinc/04/25/00/1078042500.db2.gz VRFDTTJEBNFRAQ-KBPBESRZSA-N 1 1 423.355 2.860 20 0 HFADMO Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000806239080 1079514962 /nfs/dbraw/zinc/51/49/62/1079514962.db2.gz MXHIAQNNRYBHSY-FGZHOGPDSA-N 1 1 423.561 2.551 20 0 HFADMO Cc1ccc(CNC(=O)C(=O)N[C@H]2CCCc3cn(C(C)C)nc32)c(N2CCCC2)[nH+]1 ZINC000806303176 1079554752 /nfs/dbraw/zinc/55/47/52/1079554752.db2.gz LFQIPPACBQZZIG-IBGZPJMESA-N 1 1 424.549 2.578 20 0 HFADMO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000806309390 1079564056 /nfs/dbraw/zinc/56/40/56/1079564056.db2.gz DVPGKUXDEIXEQH-WOJBJXKFSA-N 1 1 402.539 2.960 20 0 HFADMO CCCNC(=O)OC[C@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000806309398 1079564121 /nfs/dbraw/zinc/56/41/21/1079564121.db2.gz FBOZWUWSVDPPPQ-VQTJNVASSA-N 1 1 402.539 2.961 20 0 HFADMO CSCC[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000806310482 1079565263 /nfs/dbraw/zinc/56/52/63/1079565263.db2.gz BREOWLMIDHQDOI-BBRMVZONSA-N 1 1 417.497 2.654 20 0 HFADMO CSCC[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000806310482 1079565278 /nfs/dbraw/zinc/56/52/78/1079565278.db2.gz BREOWLMIDHQDOI-BBRMVZONSA-N 1 1 417.497 2.654 20 0 HFADMO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000806355247 1079588030 /nfs/dbraw/zinc/58/80/30/1079588030.db2.gz PPKLURSLLVHMOG-KURKYZTESA-N 1 1 412.575 2.575 20 0 HFADMO Cc1ccccc1[C@@H](O)C1CCN(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000806323537 1079595817 /nfs/dbraw/zinc/59/58/17/1079595817.db2.gz UBIKODRHTHBCJQ-UNMCSNQZSA-N 1 1 403.567 2.807 20 0 HFADMO O=C(Cn1cc(Cl)cn1)NN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000806345058 1079616954 /nfs/dbraw/zinc/61/69/54/1079616954.db2.gz PNFLLYLLFZVEPM-UHFFFAOYSA-N 1 1 409.921 2.975 20 0 HFADMO Cc1ccc(NC(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c(N(C)C)n1 ZINC000806362571 1079650161 /nfs/dbraw/zinc/65/01/61/1079650161.db2.gz VYPNYHKSEJAPPB-OAQYLSRUSA-N 1 1 422.577 2.880 20 0 HFADMO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000806436045 1079682602 /nfs/dbraw/zinc/68/26/02/1079682602.db2.gz BCTSBWGYZRRYNE-RDJZCZTQSA-N 1 1 408.568 2.805 20 0 HFADMO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000806436045 1079682606 /nfs/dbraw/zinc/68/26/06/1079682606.db2.gz BCTSBWGYZRRYNE-RDJZCZTQSA-N 1 1 408.568 2.805 20 0 HFADMO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000806394208 1079683299 /nfs/dbraw/zinc/68/32/99/1079683299.db2.gz FNFPRFQVDHQMQJ-FQEVSTJZSA-N 1 1 402.539 2.745 20 0 HFADMO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccon2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000806397210 1079685182 /nfs/dbraw/zinc/68/51/82/1079685182.db2.gz WRZPSJOJXXEICX-SJORKVTESA-N 1 1 422.888 2.814 20 0 HFADMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccon2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000806397210 1079685197 /nfs/dbraw/zinc/68/51/97/1079685197.db2.gz WRZPSJOJXXEICX-SJORKVTESA-N 1 1 422.888 2.814 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)N2CCCC[C@@H]2c2cc[nH]n2)CC1 ZINC000806444900 1079715965 /nfs/dbraw/zinc/71/59/65/1079715965.db2.gz HSNXHKVFUHZDNP-GOSISDBHSA-N 1 1 420.558 2.589 20 0 HFADMO COCC[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)C(C)(C)C1 ZINC001130635487 1079724691 /nfs/dbraw/zinc/72/46/91/1079724691.db2.gz BZLDDAMRTHWUQM-LJQANCHMSA-N 1 1 401.551 2.534 20 0 HFADMO Cc1nccn1-c1ncccc1CNC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000806506409 1079756365 /nfs/dbraw/zinc/75/63/65/1079756365.db2.gz SKZZGOOAZCOUIU-OAQYLSRUSA-N 1 1 404.518 2.644 20 0 HFADMO Cc1nccn1-c1ncccc1CNC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000806506409 1079756369 /nfs/dbraw/zinc/75/63/69/1079756369.db2.gz SKZZGOOAZCOUIU-OAQYLSRUSA-N 1 1 404.518 2.644 20 0 HFADMO CCC1(CC)NC(=O)N(CC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@H]2C)C1=O ZINC001130668175 1079818544 /nfs/dbraw/zinc/81/85/44/1079818544.db2.gz DVEZVUIOAAYSDJ-RCCFBDPRSA-N 1 1 414.550 2.607 20 0 HFADMO COC(=O)[C@@H]1CO[C@H](CCC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@H]2C)C1 ZINC001130673270 1079823660 /nfs/dbraw/zinc/82/36/60/1079823660.db2.gz SORSZRWNRJGDLW-CPDPWVEUSA-N 1 1 402.535 2.855 20 0 HFADMO COC(=O)[C@@H]1CO[C@H](CCC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)C1 ZINC001130673273 1079824698 /nfs/dbraw/zinc/82/46/98/1079824698.db2.gz SORSZRWNRJGDLW-WRJHFWDFSA-N 1 1 402.535 2.855 20 0 HFADMO CCN(C(=O)C(=O)NCCc1ccc(Cl)nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000806594118 1079836525 /nfs/dbraw/zinc/83/65/25/1079836525.db2.gz GVTZPZVHNPRQDY-IBGZPJMESA-N 1 1 414.937 2.517 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCCc1ccc(Cl)nc1 ZINC000806595959 1079839377 /nfs/dbraw/zinc/83/93/77/1079839377.db2.gz QUJUWQACLLUUBU-QGZVFWFLSA-N 1 1 414.937 2.517 20 0 HFADMO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000806726972 1079950675 /nfs/dbraw/zinc/95/06/75/1079950675.db2.gz KMPGKOTVCQKIIA-SFTDATJTSA-N 1 1 416.566 2.813 20 0 HFADMO CN(C)C(=O)OC[C@H]1CCCCN1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000806726970 1079950785 /nfs/dbraw/zinc/95/07/85/1079950785.db2.gz KMPGKOTVCQKIIA-NHCUHLMSSA-N 1 1 416.566 2.813 20 0 HFADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000806727743 1079952396 /nfs/dbraw/zinc/95/23/96/1079952396.db2.gz BXKOXKYPVGBSTG-IBGZPJMESA-N 1 1 423.557 2.653 20 0 HFADMO Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001130732686 1079969877 /nfs/dbraw/zinc/96/98/77/1079969877.db2.gz AVLQKTPYDYVSPR-RTFZILSDSA-N 1 1 410.562 2.717 20 0 HFADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(C(N)=O)c(Cl)n2)CC1 ZINC000806764396 1079983345 /nfs/dbraw/zinc/98/33/45/1079983345.db2.gz FUDQMFMDGCJUEP-UHFFFAOYSA-N 1 1 400.910 2.818 20 0 HFADMO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000806778807 1080004816 /nfs/dbraw/zinc/00/48/16/1080004816.db2.gz AAVXJJHXGZHGBI-VQTJNVASSA-N 1 1 424.586 2.720 20 0 HFADMO CCOC1CC2(C[C@@H]2C(=O)Nc2ccc(OCCC[NH+]3CCN(C)CC3)cc2)C1 ZINC001130742497 1080006550 /nfs/dbraw/zinc/00/65/50/1080006550.db2.gz ZZCQGRYXEGFGOA-WQMHRJNTSA-N 1 1 401.551 2.847 20 0 HFADMO C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000747356788 1080041590 /nfs/dbraw/zinc/04/15/90/1080041590.db2.gz ABSIXFHLZTZGEE-WZONZLPQSA-N 1 1 419.566 2.600 20 0 HFADMO CC[C@@H](CNC(=O)C(=O)Nc1cccc(C(C)(C)O)c1)[N@H+]1CCc2ccccc2C1 ZINC000806835168 1080048602 /nfs/dbraw/zinc/04/86/02/1080048602.db2.gz ANFFIEHHJNRWBZ-NRFANRHFSA-N 1 1 409.530 2.806 20 0 HFADMO C[C@H](CNC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1)C[NH+]1CCOCC1 ZINC000806839821 1080051425 /nfs/dbraw/zinc/05/14/25/1080051425.db2.gz LBVKPDCDKNYELG-NFBKMPQASA-N 1 1 411.546 2.900 20 0 HFADMO C[N@@H+]1CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)C[C@@H]1Cc1ccccc1 ZINC000806853097 1080058736 /nfs/dbraw/zinc/05/87/36/1080058736.db2.gz QIVCGHODBXWDRC-PMACEKPBSA-N 1 1 416.566 2.858 20 0 HFADMO C[N@H+]1CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)C[C@@H]1Cc1ccccc1 ZINC000806853097 1080058747 /nfs/dbraw/zinc/05/87/47/1080058747.db2.gz QIVCGHODBXWDRC-PMACEKPBSA-N 1 1 416.566 2.858 20 0 HFADMO 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C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)N1CCCNC(=O)C1)c1ccc(Cl)cc1 ZINC000807225281 1080385800 /nfs/dbraw/zinc/38/58/00/1080385800.db2.gz ITVSCXLEXSFPQR-OAHLLOKOSA-N 1 1 420.863 2.797 20 0 HFADMO COCC1(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000807268166 1080420108 /nfs/dbraw/zinc/42/01/08/1080420108.db2.gz MUSIOPDNUQXIRG-SFHVURJKSA-N 1 1 424.586 2.528 20 0 HFADMO CCOC(=O)C1=C(N=c2cc(C)c3nnn(C)c3[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC001170522130 1080500246 /nfs/dbraw/zinc/50/02/46/1080500246.db2.gz ZOFMTNWJFVHKJF-UHFFFAOYSA-N 1 1 406.490 2.807 20 0 HFADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(NC(=O)OC(C)(C)C)c2)[C@H](C)C1 ZINC000807317819 1080510698 /nfs/dbraw/zinc/51/06/98/1080510698.db2.gz AIYITPDYUYRBOP-CQSZACIVSA-N 1 1 420.510 2.533 20 0 HFADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(NC(=O)OC(C)(C)C)c2)[C@H](C)C1 ZINC000807317819 1080510704 /nfs/dbraw/zinc/51/07/04/1080510704.db2.gz AIYITPDYUYRBOP-CQSZACIVSA-N 1 1 420.510 2.533 20 0 HFADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)[C@@H](C)C1 ZINC000807317838 1080510722 /nfs/dbraw/zinc/51/07/22/1080510722.db2.gz AXAVRRDHOIIKJK-KRWDZBQOSA-N 1 1 424.549 2.553 20 0 HFADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)[C@@H](C)C1 ZINC000807317838 1080510728 /nfs/dbraw/zinc/51/07/28/1080510728.db2.gz AXAVRRDHOIIKJK-KRWDZBQOSA-N 1 1 424.549 2.553 20 0 HFADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000807319173 1080512488 /nfs/dbraw/zinc/51/24/88/1080512488.db2.gz UPGZLOZVSOXXCF-INIZCTEOSA-N 1 1 418.538 2.545 20 0 HFADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000807319173 1080512492 /nfs/dbraw/zinc/51/24/92/1080512492.db2.gz UPGZLOZVSOXXCF-INIZCTEOSA-N 1 1 418.538 2.545 20 0 HFADMO CN(C)c1[nH+]cnc2c1cc(C(=O)NC1(CNC(=O)OC(C)(C)C)CCCC1)n2C ZINC000747391868 1080528794 /nfs/dbraw/zinc/52/87/94/1080528794.db2.gz ZPRAIEXHOLRTRV-UHFFFAOYSA-N 1 1 416.526 2.602 20 0 HFADMO 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COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1nc(C)n3C)C2 ZINC001164819438 720160162 /nfs/dbraw/zinc/16/01/62/720160162.db2.gz XBBPTUAKNKDTFL-YWZLYKJASA-N 1 1 404.946 2.510 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)COc1ccc(Cl)nn1)C2 ZINC001164819010 720168414 /nfs/dbraw/zinc/16/84/14/720168414.db2.gz VFLCXTVLVARAOL-CRAIPNDOSA-N 1 1 416.900 2.782 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c(Cl)ncnc31)C2 ZINC001164817164 720189350 /nfs/dbraw/zinc/18/93/50/720189350.db2.gz OJIOFZOVWAQHFR-BFUOFWGJSA-N 1 1 423.348 2.911 20 0 HFADMO CSc1ncc(Cl)c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164812764 720214606 /nfs/dbraw/zinc/21/46/06/720214606.db2.gz MGIBSJUTLPBPJM-UHFFFAOYSA-N 1 1 408.959 2.659 20 0 HFADMO Cc1c[nH]c2nc(Cl)nc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c12 ZINC001164812702 720217257 /nfs/dbraw/zinc/21/72/57/720217257.db2.gz IKQNJWLFFJHPLX-UHFFFAOYSA-N 1 1 415.929 2.727 20 0 HFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c1SCC3)CCC2 ZINC001164814722 720218380 /nfs/dbraw/zinc/21/83/80/720218380.db2.gz WRFZXCSXPUZYTB-UHFFFAOYSA-N 1 1 420.970 2.585 20 0 HFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)cc(C3CC3)n1)CCC2 ZINC001164811948 720225180 /nfs/dbraw/zinc/22/51/80/720225180.db2.gz BFIOIOZXSGSCSJ-UHFFFAOYSA-N 1 1 402.930 2.815 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C)c4cccc(Cl)c4n3)C2)C1 ZINC001164720936 720271701 /nfs/dbraw/zinc/27/17/01/720271701.db2.gz FRYCMPDAGVAPDK-JOCHJYFZSA-N 1 1 416.953 2.861 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(C)c4cccc(Cl)c4n3)C2)C1 ZINC001164720936 720271722 /nfs/dbraw/zinc/27/17/22/720271722.db2.gz FRYCMPDAGVAPDK-JOCHJYFZSA-N 1 1 416.953 2.861 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc4cccc(F)c43)C2)C1 ZINC001164722307 720309381 /nfs/dbraw/zinc/30/93/81/720309381.db2.gz KCYDGDXLTICKBA-NRFANRHFSA-N 1 1 420.916 2.692 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc4cccc(F)c43)C2)C1 ZINC001164722307 720309385 /nfs/dbraw/zinc/30/93/85/720309385.db2.gz KCYDGDXLTICKBA-NRFANRHFSA-N 1 1 420.916 2.692 20 0 HFADMO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164729918 720349128 /nfs/dbraw/zinc/34/91/28/720349128.db2.gz YWEXVPSBNBXPOH-LSDHHAIUSA-N 1 1 408.884 2.989 20 0 HFADMO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164729918 720349138 /nfs/dbraw/zinc/34/91/38/720349138.db2.gz YWEXVPSBNBXPOH-LSDHHAIUSA-N 1 1 408.884 2.989 20 0 HFADMO c1ccc2nc(N3CCOCC3)c(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc2c1 ZINC001164721757 720380266 /nfs/dbraw/zinc/38/02/66/720380266.db2.gz AYOWSRYMMGXTMA-FGZHOGPDSA-N 1 1 416.529 2.715 20 0 HFADMO COC(=O)c1c(Cl)cnc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1OC ZINC001164727056 720424499 /nfs/dbraw/zinc/42/44/99/720424499.db2.gz CXGAJRKAIXRWHI-HZPDHXFCSA-N 1 1 402.882 2.778 20 0 HFADMO CC(C)N1Cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)C1=O ZINC001164726381 720425567 /nfs/dbraw/zinc/42/55/67/720425567.db2.gz BVMFOASFKHLGRK-IAGOWNOFSA-N 1 1 412.925 2.742 20 0 HFADMO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164735747 720426896 /nfs/dbraw/zinc/42/68/96/720426896.db2.gz YNCUDKGPQUCRMM-CVEARBPZSA-N 1 1 407.852 2.627 20 0 HFADMO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164735747 720426899 /nfs/dbraw/zinc/42/68/99/720426899.db2.gz YNCUDKGPQUCRMM-CVEARBPZSA-N 1 1 407.852 2.627 20 0 HFADMO C[N@@H+](Cc1ccc(N2CC[C@H]3OCC[C@@]3(C(=O)Nc3cccnc3)C2)nc1)C1CC1 ZINC001164727602 720502953 /nfs/dbraw/zinc/50/29/53/720502953.db2.gz NOYXLQAYKTWENL-NFBKMPQASA-N 1 1 407.518 2.695 20 0 HFADMO Cc1cc(N2CCCC2)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164840664 720504344 /nfs/dbraw/zinc/50/43/44/720504344.db2.gz XESCOAQDZAFRQD-PWRODBHTSA-N 1 1 409.582 2.960 20 0 HFADMO Cc1cc(N2CCCC2)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164840664 720504346 /nfs/dbraw/zinc/50/43/46/720504346.db2.gz XESCOAQDZAFRQD-PWRODBHTSA-N 1 1 409.582 2.960 20 0 HFADMO COc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1NC(C)C ZINC001164839374 720504683 /nfs/dbraw/zinc/50/46/83/720504683.db2.gz SZYXKJQZMVOUEJ-CEXWTWQISA-N 1 1 413.570 2.880 20 0 HFADMO Cc1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C(N)=O ZINC001164839405 720511154 /nfs/dbraw/zinc/51/11/54/720511154.db2.gz UAYJFAYQDWFLSK-YESZJQIVSA-N 1 1 416.957 2.717 20 0 HFADMO COc1cnc(SC)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164839467 720513091 /nfs/dbraw/zinc/51/30/91/720513091.db2.gz UUSPIDWHZWCDJR-YESZJQIVSA-N 1 1 402.568 2.781 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)c(F)cc3C(N)=O)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834747 720523056 /nfs/dbraw/zinc/52/30/56/720523056.db2.gz HLIABADHFZVABA-GRDNDAEWSA-N 1 1 420.920 2.547 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4c3COC4)CC[C@@H]21 ZINC001164835236 720525109 /nfs/dbraw/zinc/52/51/09/720525109.db2.gz JFCNAZYOJYJQJL-MPGHIAIKSA-N 1 1 402.930 2.735 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3[nH]c4cc(=O)[nH]c-4cc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834197 720551459 /nfs/dbraw/zinc/55/14/59/720551459.db2.gz CONKQMWFIJJUJO-ZRGWGRIASA-N 1 1 414.941 2.804 20 0 HFADMO Cc1cn(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)cn1 ZINC001164837419 720573126 /nfs/dbraw/zinc/57/31/26/720573126.db2.gz MMGWBQPUGSGXSV-XUVXKRRUSA-N 1 1 406.538 2.545 20 0 HFADMO CCOC(=O)c1cc2ccc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nc2[nH]1 ZINC001164730696 720574498 /nfs/dbraw/zinc/57/44/98/720574498.db2.gz YLMNBXQBYNNLFA-UHFFFAOYSA-N 1 1 408.506 2.595 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(C(=O)N4CCCC4)ccn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833830 720575202 /nfs/dbraw/zinc/57/52/02/720575202.db2.gz BTORALOVVSVSDL-FDFHNCONSA-N 1 1 422.577 2.892 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN([C@@H](F)Oc3ccc(Cl)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842003 720649662 /nfs/dbraw/zinc/64/96/62/720649662.db2.gz ROJFMYCKGSGTRH-YYAJDYIMSA-N 1 1 408.909 2.832 20 0 HFADMO Clc1cc(-c2ccnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2)ccn1 ZINC001164743104 720654979 /nfs/dbraw/zinc/65/49/79/720654979.db2.gz OYNFMRNPNBNQPS-QZTJIDSGSA-N 1 1 408.893 2.929 20 0 HFADMO CCOC(=O)c1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ncn1 ZINC001164841853 720678603 /nfs/dbraw/zinc/67/86/03/720678603.db2.gz JNOXBHOVQVITLC-IBGZPJMESA-N 1 1 410.518 2.913 20 0 HFADMO Fc1ccc2nc(C(F)F)nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164744225 720800004 /nfs/dbraw/zinc/80/00/04/720800004.db2.gz IBYDIQUZSRVCIW-ZIAGYGMSSA-N 1 1 416.407 2.838 20 0 HFADMO c1ccc(SCc2nccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164749808 720802222 /nfs/dbraw/zinc/80/22/22/720802222.db2.gz UOQVMYZWOQSLHL-QZTJIDSGSA-N 1 1 420.542 2.901 20 0 HFADMO Cc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1NCC1CC1 ZINC001164750387 720808290 /nfs/dbraw/zinc/80/82/90/720808290.db2.gz VLBVVEKUKFJZID-NJDAHSKKSA-N 1 1 422.581 2.578 20 0 HFADMO O=C1[C@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]2CN1Cc1ccncc1 ZINC001164855804 720811440 /nfs/dbraw/zinc/81/14/40/720811440.db2.gz YZNFOEXZSPLPKD-MOPGFXCFSA-N 1 1 411.937 2.821 20 0 HFADMO Clc1nc2ncccc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164738005 720816323 /nfs/dbraw/zinc/81/63/23/720816323.db2.gz DHYDRHWPOWUTLL-XYJFISCASA-N 1 1 424.940 2.649 20 0 HFADMO FC(F)(c1cnc(Cl)nc1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738416 720816631 /nfs/dbraw/zinc/81/66/31/720816631.db2.gz FQDRBGSIONQAFM-USXIJHARSA-N 1 1 423.899 2.646 20 0 HFADMO Clc1nc2cccnc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164744014 720818667 /nfs/dbraw/zinc/81/86/67/720818667.db2.gz TYFWMUVZYXNPOY-LZLYRXPVSA-N 1 1 424.940 2.649 20 0 HFADMO COc1ccc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743998 720828476 /nfs/dbraw/zinc/82/84/76/720828476.db2.gz TVUZPRUGUUMLSG-NPPFBWRTSA-N 1 1 419.533 2.609 20 0 HFADMO F[C@H](Oc1ccc(Cl)nc1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746084 720829099 /nfs/dbraw/zinc/82/90/99/720829099.db2.gz XXMQBBJIINWNGH-HNAWSFBYSA-N 1 1 420.920 2.833 20 0 HFADMO Clc1nnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2ncccc12 ZINC001164740132 720829447 /nfs/dbraw/zinc/82/94/47/720829447.db2.gz JCLFYHCVSHXCEP-LZLYRXPVSA-N 1 1 424.940 2.649 20 0 HFADMO COc1ccc2ncc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1 ZINC001164746149 720829550 /nfs/dbraw/zinc/82/95/50/720829550.db2.gz YBPSVZLAKCRMBG-KGVIQGDOSA-N 1 1 419.533 2.609 20 0 HFADMO Cc1cccc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164738435 720831332 /nfs/dbraw/zinc/83/13/32/720831332.db2.gz FUESXBRMGZCFMM-IRFCIJBXSA-N 1 1 403.534 2.909 20 0 HFADMO CSc1cnc(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744491 720831416 /nfs/dbraw/zinc/83/14/16/720831416.db2.gz URGGQPSQXJQYKJ-BZUAXINKSA-N 1 1 419.986 2.823 20 0 HFADMO Cc1cccc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164738441 720831418 /nfs/dbraw/zinc/83/14/18/720831418.db2.gz FUESXBRMGZCFMM-QKNQBKEWSA-N 1 1 403.534 2.909 20 0 HFADMO Fc1ccc2cnnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164751900 720831909 /nfs/dbraw/zinc/83/19/09/720831909.db2.gz ZMJMBDZLGBXYGD-SLYNCCJLSA-N 1 1 407.497 2.740 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3ncnc4c3ccn4Cc3ccccc3)CC[C@@H]2C1 ZINC001164858207 720860292 /nfs/dbraw/zinc/86/02/92/720860292.db2.gz RQBOFLPMKHNEAQ-IRLDBZIGSA-N 1 1 421.545 2.653 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3cncc(Oc4cccc(F)c4)n3)CC[C@H]2C1 ZINC001164851551 720866102 /nfs/dbraw/zinc/86/61/02/720866102.db2.gz AVXPYKVBEINSJQ-LPHOPBHVSA-N 1 1 402.470 2.582 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3cncc(Oc4cccc(F)c4)n3)CC[C@@H]2C1 ZINC001164851553 720866547 /nfs/dbraw/zinc/86/65/47/720866547.db2.gz AVXPYKVBEINSJQ-VQIMIIECSA-N 1 1 402.470 2.582 20 0 HFADMO c1cc2nccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2n1 ZINC001164752980 720867403 /nfs/dbraw/zinc/86/74/03/720867403.db2.gz OAQGPLIHTXBFJU-XUZZJYLKSA-N 1 1 418.545 2.879 20 0 HFADMO COc1nccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747993 720868783 /nfs/dbraw/zinc/86/87/83/720868783.db2.gz DBRMCJXILQBGEK-REWPJTCUSA-N 1 1 409.534 2.635 20 0 HFADMO CCc1nc2sc3c(c2c(N2CC[C@H]4C[N@@H+](CCOC)CCO[C@H]4C2)n1)CCC3 ZINC001164855612 720873972 /nfs/dbraw/zinc/87/39/72/720873972.db2.gz HMJAKXJAWPRCNH-RDJZCZTQSA-N 1 1 416.591 2.916 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3ccc(-c4cccc(Cl)c4)nn3)CC[C@@H]2C1 ZINC001164859265 720876376 /nfs/dbraw/zinc/87/63/76/720876376.db2.gz MGLHYTZXRBAESK-XLIONFOSSA-N 1 1 402.926 2.971 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3ccc(-c4cccc(Cl)c4)nn3)CC[C@H]2C1 ZINC001164859264 720876676 /nfs/dbraw/zinc/87/66/76/720876676.db2.gz MGLHYTZXRBAESK-PXNSSMCTSA-N 1 1 402.926 2.971 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nccc(SCc4ccccc4)n3)CC[C@H]2C1 ZINC001164857410 720885343 /nfs/dbraw/zinc/88/53/43/720885343.db2.gz JNAJPLJGENMEIV-VQTJNVASSA-N 1 1 414.575 2.942 20 0 HFADMO COc1ncnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C ZINC001164756287 720886902 /nfs/dbraw/zinc/88/69/02/720886902.db2.gz PDBWHHLHQLHJHU-QPPBQGQZSA-N 1 1 423.561 2.944 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nnc(-c4cccc(F)c4)cc3C)CC[C@@H]2C1 ZINC001164856754 720888192 /nfs/dbraw/zinc/88/81/92/720888192.db2.gz JDBSONJEFXVHAX-WIYYLYMNSA-N 1 1 400.498 2.765 20 0 HFADMO C[NH+]1CCC(Oc2ccnc(N3Cc4cncn4C[C@@H](COCC4CC4)C3)c2)CC1 ZINC001164759281 720982557 /nfs/dbraw/zinc/98/25/57/720982557.db2.gz ZOHCHFNBNLOQMP-IBGZPJMESA-N 1 1 411.550 2.814 20 0 HFADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)[C@@H]2C ZINC001164859561 721020212 /nfs/dbraw/zinc/02/02/12/721020212.db2.gz JEXZKDXFQCIPSP-ZBFHGGJFSA-N 1 1 420.945 2.916 20 0 HFADMO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3c2nc(Cl)ccc2C[NH+]2CCCC2)cn1 ZINC001164760266 721036222 /nfs/dbraw/zinc/03/62/22/721036222.db2.gz CILAPXAMHNIOKU-MSOLQXFVSA-N 1 1 414.941 2.558 20 0 HFADMO Cc1cc(Cl)nc(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164870894 721048674 /nfs/dbraw/zinc/04/86/74/721048674.db2.gz XEBDEMGDDNXALH-HZPDHXFCSA-N 1 1 409.868 2.858 20 0 HFADMO Clc1nc2c(c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n1)CSCC2 ZINC001164866311 721057246 /nfs/dbraw/zinc/05/72/46/721057246.db2.gz DVIBEAZVDBTLFF-HZPDHXFCSA-N 1 1 417.966 2.794 20 0 HFADMO COc1cc2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2cc1OC ZINC001164865873 721060865 /nfs/dbraw/zinc/06/08/65/721060865.db2.gz BCWTZVORSFUOQS-ROUUACIJSA-N 1 1 421.501 2.522 20 0 HFADMO c1ccc(COc2cncc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164867127 721062127 /nfs/dbraw/zinc/06/21/27/721062127.db2.gz IHCRXZYOEDFWRL-FGZHOGPDSA-N 1 1 417.513 2.930 20 0 HFADMO COc1cc(C(F)(F)N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)cc(Cl)n1 ZINC001164772018 721084040 /nfs/dbraw/zinc/08/40/40/721084040.db2.gz SXBISRLBIHNUAK-GJZGRUSLSA-N 1 1 411.884 2.980 20 0 HFADMO Cc1nc2c(nc(Cl)nc2N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)s1 ZINC001164866953 721097369 /nfs/dbraw/zinc/09/73/69/721097369.db2.gz VLKATCPDRMNNID-LSDHHAIUSA-N 1 1 416.938 2.923 20 0 HFADMO COC(=O)c1cc2ccccc2nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164863462 721112097 /nfs/dbraw/zinc/11/20/97/721112097.db2.gz CIKRKHNFOAHZLN-UXHICEINSA-N 1 1 418.497 2.896 20 0 HFADMO COc1cc2c(cc1F)ncnc2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865468 721112664 /nfs/dbraw/zinc/11/26/64/721112664.db2.gz LNNABGDIHMSZLI-IRXDYDNUSA-N 1 1 409.465 2.652 20 0 HFADMO COc1ccc(C(F)(F)N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(Cl)n1 ZINC001164772729 721124891 /nfs/dbraw/zinc/12/48/91/721124891.db2.gz VRUOFYDNASSNPM-LSDHHAIUSA-N 1 1 411.884 2.980 20 0 HFADMO CCOC(=O)c1nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)ccc1Cl ZINC001164870219 721125782 /nfs/dbraw/zinc/12/57/82/721125782.db2.gz BWSFDLVCEOQZGF-IAGOWNOFSA-N 1 1 416.909 2.786 20 0 HFADMO CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1C ZINC001164771349 721128033 /nfs/dbraw/zinc/12/80/33/721128033.db2.gz SGQVHTKMCLSLEA-SJORKVTESA-N 1 1 417.941 2.912 20 0 HFADMO COc1cc2ccnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2cc1OC ZINC001164771806 721143063 /nfs/dbraw/zinc/14/30/63/721143063.db2.gz UFDXBPCRFDGVKM-RBUKOAKNSA-N 1 1 407.518 2.944 20 0 HFADMO COc1cc2ccnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2cc1OC ZINC001164771806 721143071 /nfs/dbraw/zinc/14/30/71/721143071.db2.gz UFDXBPCRFDGVKM-RBUKOAKNSA-N 1 1 407.518 2.944 20 0 HFADMO COc1cccc2nc(Cl)nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c21 ZINC001164761665 721145832 /nfs/dbraw/zinc/14/58/32/721145832.db2.gz ACUAETIEKLXFAS-JKSUJKDBSA-N 1 1 412.925 2.984 20 0 HFADMO CCOC(=O)c1nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)ccc1Cl ZINC001164761334 721178937 /nfs/dbraw/zinc/17/89/37/721178937.db2.gz APSJKAYDFQTELY-JKSUJKDBSA-N 1 1 403.914 2.604 20 0 HFADMO c1cncc(CO[C@@H]2C[C@@H]3CN(c4cncc(OCC5CCCC5)n4)CC[N@H+]3C2)c1 ZINC001164880377 721182409 /nfs/dbraw/zinc/18/24/09/721182409.db2.gz WBQCQSSVHCMLNN-NHCUHLMSSA-N 1 1 409.534 2.920 20 0 HFADMO c1cncc(CO[C@@H]2C[C@H]3CN(c4cncc(OCC5CCCC5)n4)CC[N@H+]3C2)c1 ZINC001164880375 721183121 /nfs/dbraw/zinc/18/31/21/721183121.db2.gz WBQCQSSVHCMLNN-LEWJYISDSA-N 1 1 409.534 2.920 20 0 HFADMO COC(=O)C[C@H](c1ccnc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1)C1CC1 ZINC001164762724 721189137 /nfs/dbraw/zinc/18/91/37/721189137.db2.gz DMZUGBLZUCURIP-BDTNDASRSA-N 1 1 423.561 2.830 20 0 HFADMO COc1cc2cnc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)cc2cc1OC ZINC001164768279 721211316 /nfs/dbraw/zinc/21/13/16/721211316.db2.gz KTLMBUKOWLTPOF-XLIONFOSSA-N 1 1 407.518 2.944 20 0 HFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nccc4cc(Cl)ccc43)CC2)C1 ZINC001164869858 721269513 /nfs/dbraw/zinc/26/95/13/721269513.db2.gz QOUVDQUQKLRAHP-UHFFFAOYSA-N 1 1 416.953 2.895 20 0 HFADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)c21 ZINC001164767125 721279024 /nfs/dbraw/zinc/27/90/24/721279024.db2.gz GPOASMYDJVLYIF-UHFFFAOYSA-N 1 1 405.502 2.981 20 0 HFADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC3(C2)CC[N@@H+](CC2CC2)C3)n1 ZINC001164768019 721294534 /nfs/dbraw/zinc/29/45/34/721294534.db2.gz DFVYKEMGUOJWRV-UHFFFAOYSA-N 1 1 400.523 2.775 20 0 HFADMO Cc1c[nH]c2ncnc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c12 ZINC001164778423 721331190 /nfs/dbraw/zinc/33/11/90/721331190.db2.gz WEMZWTZFTUXMKZ-QFIPXVFZSA-N 1 1 410.522 2.990 20 0 HFADMO CCOc1cncc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164776113 721331534 /nfs/dbraw/zinc/33/15/34/721331534.db2.gz COOFHCZREXKXSB-NRFANRHFSA-N 1 1 401.511 2.599 20 0 HFADMO CCOc1cncc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164776113 721331540 /nfs/dbraw/zinc/33/15/40/721331540.db2.gz COOFHCZREXKXSB-NRFANRHFSA-N 1 1 401.511 2.599 20 0 HFADMO COCc1ccnc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164777715 721344372 /nfs/dbraw/zinc/34/43/72/721344372.db2.gz HOXTVMPILAZUED-JOCHJYFZSA-N 1 1 400.523 2.952 20 0 HFADMO Cc1cc2c(ncnc2N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)s1 ZINC001164885004 721379699 /nfs/dbraw/zinc/37/96/99/721379699.db2.gz BLVPXYPUWIPFJH-UWJYYQICSA-N 1 1 401.580 2.765 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5[nH]cc(F)c54)C3)O2)CC1 ZINC001164885691 721381794 /nfs/dbraw/zinc/38/17/94/721381794.db2.gz CZCXHNIVHHZKEX-VLIAUNLRSA-N 1 1 422.936 2.516 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4CCCC5)C3)O2)CC1 ZINC001164894529 721393307 /nfs/dbraw/zinc/39/33/07/721393307.db2.gz YUSGRXPVDWJKCA-VGSWGCGISA-N 1 1 420.001 2.774 20 0 HFADMO Cc1nc2cc(F)ccc2c(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164890898 721397710 /nfs/dbraw/zinc/39/77/10/721397710.db2.gz PCQJWXBDRYXNNX-CVDCTZTESA-N 1 1 413.541 2.843 20 0 HFADMO CCOC(=O)c1cnc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)cc1OCC ZINC001164783256 721408776 /nfs/dbraw/zinc/40/87/76/721408776.db2.gz HQHWVUKVXBHILU-GASCZTMLSA-N 1 1 402.520 2.682 20 0 HFADMO CCOC(=O)c1cnc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)cc1OCC ZINC001164783256 721408778 /nfs/dbraw/zinc/40/87/78/721408778.db2.gz HQHWVUKVXBHILU-GASCZTMLSA-N 1 1 402.520 2.682 20 0 HFADMO CCOC(=O)c1ccc2ncnc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164790353 721410581 /nfs/dbraw/zinc/41/05/81/721410581.db2.gz XDVSEUFMSMMSID-IYBDPMFKSA-N 1 1 409.515 2.831 20 0 HFADMO CCOC(=O)c1ccc2ncnc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164790353 721410584 /nfs/dbraw/zinc/41/05/84/721410584.db2.gz XDVSEUFMSMMSID-IYBDPMFKSA-N 1 1 409.515 2.831 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(C5CC5)n4)C3)O2)CC1 ZINC001164883490 721414406 /nfs/dbraw/zinc/41/44/06/721414406.db2.gz ACSPWRQXUHEJSN-UWJYYQICSA-N 1 1 405.974 2.773 20 0 HFADMO CSc1cnc(Cl)nc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164884034 721415809 /nfs/dbraw/zinc/41/58/09/721415809.db2.gz CZYUVDJXDNATMV-BEFAXECRSA-N 1 1 412.003 2.617 20 0 HFADMO CC(C)N1Cc2c(nc(Cl)nc2N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)C1=O ZINC001164791022 721423019 /nfs/dbraw/zinc/42/30/19/721423019.db2.gz YYHUJOLWJJWSTB-CHWSQXEVSA-N 1 1 418.954 2.519 20 0 HFADMO FC(F)(COc1ccc(Cl)nn1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164784157 721426067 /nfs/dbraw/zinc/42/60/67/721426067.db2.gz KROLAGFFKDYXEW-RYUDHWBXSA-N 1 1 401.870 2.622 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccnc(Cc5ccccc5)n4)C3)O2)CC1 ZINC001164889571 721440334 /nfs/dbraw/zinc/44/03/34/721440334.db2.gz BTWLBYRHHRUGCV-WIOPSUGQSA-N 1 1 421.589 2.833 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(SC)nn1)CC2 ZINC001164791710 721467412 /nfs/dbraw/zinc/46/74/12/721467412.db2.gz XVONHWSKGDYNTA-GOSISDBHSA-N 1 1 406.596 2.932 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccnc1OC(C)C)CC2 ZINC001164789931 721470132 /nfs/dbraw/zinc/47/01/32/721470132.db2.gz PENWCVXLCVSZCR-HXUWFJFHSA-N 1 1 418.582 2.998 20 0 HFADMO CCOC(=O)c1cc(Cl)nnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164899706 721522359 /nfs/dbraw/zinc/52/23/59/721522359.db2.gz LULYQBWSCBERQA-GOEBONIOSA-N 1 1 420.872 2.788 20 0 HFADMO CCOC(=O)c1ccc(C)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164794479 721523862 /nfs/dbraw/zinc/52/38/62/721523862.db2.gz DTMYILJUYIAZBM-QHAWAJNXSA-N 1 1 410.518 2.830 20 0 HFADMO COc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1NC(C)C ZINC001164795422 721523974 /nfs/dbraw/zinc/52/39/74/721523974.db2.gz OWSAGGYISCJPPS-WSTZPKSXSA-N 1 1 412.538 2.569 20 0 HFADMO COc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1NC(C)C ZINC001164795422 721523978 /nfs/dbraw/zinc/52/39/78/721523978.db2.gz OWSAGGYISCJPPS-WSTZPKSXSA-N 1 1 412.538 2.569 20 0 HFADMO Cc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1N1CCCC1 ZINC001164794563 721524163 /nfs/dbraw/zinc/52/41/63/721524163.db2.gz FWUCHDHTEGQSMA-HKBOAZHASA-N 1 1 408.550 2.648 20 0 HFADMO Cc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1N1CCCC1 ZINC001164794563 721524166 /nfs/dbraw/zinc/52/41/66/721524166.db2.gz FWUCHDHTEGQSMA-HKBOAZHASA-N 1 1 408.550 2.648 20 0 HFADMO COC(=O)c1cc(Cl)cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164799858 721530307 /nfs/dbraw/zinc/53/03/07/721530307.db2.gz BIEXOZOERQCRPC-GBESFXJTSA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1cc(Cl)cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164799858 721530308 /nfs/dbraw/zinc/53/03/08/721530308.db2.gz BIEXOZOERQCRPC-GBESFXJTSA-N 1 1 416.909 2.785 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3ccncc32)[C@H]2CCCO[C@@H]12 ZINC001164808986 721534847 /nfs/dbraw/zinc/53/48/47/721534847.db2.gz SVKFXNGAUGITIR-IPMKNSEASA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3ccncc32)[C@H]2CCCO[C@@H]12 ZINC001164808986 721534849 /nfs/dbraw/zinc/53/48/49/721534849.db2.gz SVKFXNGAUGITIR-IPMKNSEASA-N 1 1 410.909 2.941 20 0 HFADMO COc1cccc2c1ncnc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164806167 721538489 /nfs/dbraw/zinc/53/84/89/721538489.db2.gz OFTAMZNJFOGMCT-IPJJNNNSSA-N 1 1 405.502 2.902 20 0 HFADMO CCOc1ccc(C(=O)OC)c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164911022 721539601 /nfs/dbraw/zinc/53/96/01/721539601.db2.gz VEMMPUYVCFQIHM-AEFFLSMTSA-N 1 1 415.465 2.748 20 0 HFADMO COc1nc2ccccc2nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164802548 721539643 /nfs/dbraw/zinc/53/96/43/721539643.db2.gz GZPIJNHEQABVPH-ACRUOGEOSA-N 1 1 405.502 2.902 20 0 HFADMO COc1nc2ccccc2nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164802548 721539648 /nfs/dbraw/zinc/53/96/48/721539648.db2.gz GZPIJNHEQABVPH-ACRUOGEOSA-N 1 1 405.502 2.902 20 0 HFADMO CSc1nc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164806014 721542249 /nfs/dbraw/zinc/54/22/49/721542249.db2.gz NFNPQRVSSXEPNP-QLFBSQMISA-N 1 1 406.943 2.510 20 0 HFADMO CSc1nc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164806014 721542252 /nfs/dbraw/zinc/54/22/52/721542252.db2.gz NFNPQRVSSXEPNP-QLFBSQMISA-N 1 1 406.943 2.510 20 0 HFADMO COc1ccc2cnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc2c1 ZINC001164806067 721543962 /nfs/dbraw/zinc/54/39/62/721543962.db2.gz NPDPSGIFUOPFID-FSSWDIPSSA-N 1 1 405.502 2.902 20 0 HFADMO COc1ccc2cnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc2c1 ZINC001164806067 721543963 /nfs/dbraw/zinc/54/39/63/721543963.db2.gz NPDPSGIFUOPFID-FSSWDIPSSA-N 1 1 405.502 2.902 20 0 HFADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc[nH]c5nc(=S)sc4-5)CC[N@H+]3C2)c1 ZINC001164906829 721550450 /nfs/dbraw/zinc/55/04/50/721550450.db2.gz LMVYHNBDPIWHCS-OCCSQVGLSA-N 1 1 403.508 2.856 20 0 HFADMO COc1ccc2c(c1)ncnc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164810480 721554002 /nfs/dbraw/zinc/55/40/02/721554002.db2.gz YLELSKGWFQOGLQ-FSSWDIPSSA-N 1 1 405.502 2.902 20 0 HFADMO CN(C)C(=O)c1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164907574 721555760 /nfs/dbraw/zinc/55/57/60/721555760.db2.gz OOTLUBPQIIWABX-SJLPKXTDSA-N 1 1 418.900 2.918 20 0 HFADMO [O-][n+]1ccc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1Cl ZINC001164911278 721566912 /nfs/dbraw/zinc/56/69/12/721566912.db2.gz YNIRAFBPPHDNNA-NVXWUHKLSA-N 1 1 413.827 2.999 20 0 HFADMO CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c2CC[NH2+]C3)[C@H]2CCCO[C@@H]12 ZINC001164807854 721572660 /nfs/dbraw/zinc/57/26/60/721572660.db2.gz TYBNYANGLWEXNT-CZTZKLFOSA-N 1 1 413.953 2.644 20 0 HFADMO Cc1noc(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc2)n1 ZINC001164808883 721581000 /nfs/dbraw/zinc/58/10/00/721581000.db2.gz RDGIALOLOAQKJD-SVFBPWRDSA-N 1 1 406.490 2.703 20 0 HFADMO Cc1noc(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc2)n1 ZINC001164808883 721581002 /nfs/dbraw/zinc/58/10/02/721581002.db2.gz RDGIALOLOAQKJD-SVFBPWRDSA-N 1 1 406.490 2.703 20 0 HFADMO NC(=O)c1nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ccc1Cl ZINC001164905528 721586166 /nfs/dbraw/zinc/58/61/66/721586166.db2.gz JRFDMJZDYNNWIN-IBGZPJMESA-N 1 1 421.879 2.967 20 0 HFADMO O=C1COc2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2N1 ZINC001164906531 721709725 /nfs/dbraw/zinc/70/97/25/721709725.db2.gz MMQFUVOUKSIOCH-HXUWFJFHSA-N 1 1 415.444 2.545 20 0 HFADMO Cc1cc(Cl)nc(C(F)(F)N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165008875 721730809 /nfs/dbraw/zinc/73/08/09/721730809.db2.gz SSPPZWCJPAPQTB-UHFFFAOYSA-N 1 1 401.889 2.506 20 0 HFADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(-n3ccnc3)nn1)C2 ZINC001164909043 721757333 /nfs/dbraw/zinc/75/73/33/721757333.db2.gz DLBAYXXKFFDDNI-UHFFFAOYSA-N 1 1 401.474 2.845 20 0 HFADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(-n3ccnc3)nn1)C2 ZINC001164909043 721757340 /nfs/dbraw/zinc/75/73/40/721757340.db2.gz DLBAYXXKFFDDNI-UHFFFAOYSA-N 1 1 401.474 2.845 20 0 HFADMO COC(=O)c1c[n-]c2nc[nH+]c(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165022614 721816152 /nfs/dbraw/zinc/81/61/52/721816152.db2.gz GDRUXGCTHCELCX-IPELMVKDSA-N 1 1 420.517 2.876 20 0 HFADMO COC(=O)c1c[nH]c2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165022614 721816159 /nfs/dbraw/zinc/81/61/59/721816159.db2.gz GDRUXGCTHCELCX-IPELMVKDSA-N 1 1 420.517 2.876 20 0 HFADMO COC(=O)c1c[nH]c2ncnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165022614 721816160 /nfs/dbraw/zinc/81/61/60/721816160.db2.gz GDRUXGCTHCELCX-IPELMVKDSA-N 1 1 420.517 2.876 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C(N)=O)nc(C4CC4)n3)C[C@H]21 ZINC001165025771 721832167 /nfs/dbraw/zinc/83/21/67/721832167.db2.gz NXKNXDQIVRVROU-ILZDJORESA-N 1 1 406.534 2.585 20 0 HFADMO C[NH+]1CCC(Oc2ccnc(N3C[C@H]4COC[C@@]4(COCc4ccccn4)C3)c2)CC1 ZINC001164923234 721840656 /nfs/dbraw/zinc/84/06/56/721840656.db2.gz UGIUVURHFUYCBA-YADARESESA-N 1 1 424.545 2.619 20 0 HFADMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)ncc1OCc1ccccc1 ZINC001164926569 721865298 /nfs/dbraw/zinc/86/52/98/721865298.db2.gz RWRDYJVPGYIHFO-MSOLQXFVSA-N 1 1 401.942 2.924 20 0 HFADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)ncc1OCc1ccccc1 ZINC001164926569 721865299 /nfs/dbraw/zinc/86/52/99/721865299.db2.gz RWRDYJVPGYIHFO-MSOLQXFVSA-N 1 1 401.942 2.924 20 0 HFADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ncnc2c1ccn2Cc1ccc(F)cc1 ZINC001164926951 721867106 /nfs/dbraw/zinc/86/71/06/721867106.db2.gz TWHYCOIMFYCJJR-LEWJYISDSA-N 1 1 408.525 2.833 20 0 HFADMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncnc2c1ccn2Cc1ccc(F)cc1 ZINC001164926951 721867107 /nfs/dbraw/zinc/86/71/07/721867107.db2.gz TWHYCOIMFYCJJR-LEWJYISDSA-N 1 1 408.525 2.833 20 0 HFADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ccc2ccn(C(=O)c3ccccc3)c2n1 ZINC001164922370 721875781 /nfs/dbraw/zinc/87/57/81/721875781.db2.gz GCWDNQWOPSQNMB-NHCUHLMSSA-N 1 1 403.530 2.939 20 0 HFADMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc2ccn(C(=O)c3ccccc3)c2n1 ZINC001164922370 721875783 /nfs/dbraw/zinc/87/57/83/721875783.db2.gz GCWDNQWOPSQNMB-NHCUHLMSSA-N 1 1 403.530 2.939 20 0 HFADMO CCOC(=O)c1sc2nc(C)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4CCN(C)C)c2c1C ZINC001164932335 721877843 /nfs/dbraw/zinc/87/78/43/721877843.db2.gz IUUCDCCRLMGJPZ-HOTGVXAUSA-N 1 1 417.579 2.699 20 0 HFADMO CCOC(=O)c1sc2nc(C)nc(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)c2c1C ZINC001164932335 721877845 /nfs/dbraw/zinc/87/78/45/721877845.db2.gz IUUCDCCRLMGJPZ-HOTGVXAUSA-N 1 1 417.579 2.699 20 0 HFADMO CCOC(=O)Cc1ccc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nn1 ZINC001164939065 721928722 /nfs/dbraw/zinc/92/87/22/721928722.db2.gz IAKUJSYRRBFMNY-UHFFFAOYSA-N 1 1 424.545 2.762 20 0 HFADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCN(C(N)=O)CC3)n2)CCC4)CC1 ZINC001165043278 721941063 /nfs/dbraw/zinc/94/10/63/721941063.db2.gz YGQVCRYBOSNXJS-UHFFFAOYSA-N 1 1 414.579 2.613 20 0 HFADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1c[nH]c3ncnc(Cl)c13)CC2 ZINC001164943603 721969910 /nfs/dbraw/zinc/96/99/10/721969910.db2.gz AAIGXVXPTRJIBQ-UHFFFAOYSA-N 1 1 410.909 2.534 20 0 HFADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1c[nH]c3ncnc(Cl)c13)CC2 ZINC001164943603 721969912 /nfs/dbraw/zinc/96/99/12/721969912.db2.gz AAIGXVXPTRJIBQ-UHFFFAOYSA-N 1 1 410.909 2.534 20 0 HFADMO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164954882 722013932 /nfs/dbraw/zinc/01/39/32/722013932.db2.gz QGFBRGIRHHHLKN-UHFFFAOYSA-N 1 1 406.490 2.584 20 0 HFADMO COC(=O)c1cc2c(ncnc2N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)[nH]1 ZINC001164954882 722013936 /nfs/dbraw/zinc/01/39/36/722013936.db2.gz QGFBRGIRHHHLKN-UHFFFAOYSA-N 1 1 406.490 2.584 20 0 HFADMO COC(=O)c1cc2c(ncnc2N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)[nH]1 ZINC001164954882 722013939 /nfs/dbraw/zinc/01/39/39/722013939.db2.gz QGFBRGIRHHHLKN-UHFFFAOYSA-N 1 1 406.490 2.584 20 0 HFADMO Cc1ccc(N(c2ncccc2CN2CCCC2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960555 722025673 /nfs/dbraw/zinc/02/56/73/722025673.db2.gz KLRDCEMVLZMURF-NZQKXSOJSA-N 1 1 408.550 2.825 20 0 HFADMO COC(=O)c1cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c(F)c1 ZINC001164963814 722055412 /nfs/dbraw/zinc/05/54/12/722055412.db2.gz MFYDTLYEGZPZBQ-UHFFFAOYSA-N 1 1 414.481 2.521 20 0 HFADMO COC(=O)c1ccc(Cl)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974563 722100392 /nfs/dbraw/zinc/10/03/92/722100392.db2.gz AGOFBYFIXNDYFU-SJLPKXTDSA-N 1 1 416.909 2.644 20 0 HFADMO FC(F)(c1cnc(Cl)cn1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976326 722102917 /nfs/dbraw/zinc/10/29/17/722102917.db2.gz CPKRZQWLSNUEGJ-HZPDHXFCSA-N 1 1 409.868 2.797 20 0 HFADMO Clc1nnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c2cnccc12 ZINC001164984364 722104200 /nfs/dbraw/zinc/10/42/00/722104200.db2.gz SUPKHEPUYFXPMQ-LPHOPBHVSA-N 1 1 410.909 2.801 20 0 HFADMO Clc1nc2cccnc2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982301 722106490 /nfs/dbraw/zinc/10/64/90/722106490.db2.gz NDXDCTYXARBFRJ-SJLPKXTDSA-N 1 1 410.909 2.801 20 0 HFADMO Clc1nc2cnccc2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979270 722109088 /nfs/dbraw/zinc/10/90/88/722109088.db2.gz PRFXMGAIRQYLNR-QFBILLFUSA-N 1 1 410.909 2.801 20 0 HFADMO COc1ccc2ncc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164979197 722118972 /nfs/dbraw/zinc/11/89/72/722118972.db2.gz PMPRURBEKZTDTH-XMSQKQJNSA-N 1 1 405.502 2.761 20 0 HFADMO Clc1nnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c2ncccc12 ZINC001164971948 722119445 /nfs/dbraw/zinc/11/94/45/722119445.db2.gz DZCHGSGLLWVXML-SJLPKXTDSA-N 1 1 410.909 2.801 20 0 HFADMO Nc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971955 722120753 /nfs/dbraw/zinc/12/07/53/722120753.db2.gz DZMIANSKPSUCMB-QAPCUYQASA-N 1 1 423.895 2.984 20 0 HFADMO CSc1cnc(Cl)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971912 722121526 /nfs/dbraw/zinc/12/15/26/722121526.db2.gz DMYYLVMEFJDACW-HZPDHXFCSA-N 1 1 405.955 2.974 20 0 HFADMO Nc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164970929 722125901 /nfs/dbraw/zinc/12/59/01/722125901.db2.gz ASUUAMZAYUOZBO-NVXWUHKLSA-N 1 1 423.895 2.984 20 0 HFADMO COc1cc2c(cc1F)ncnc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983876 722129965 /nfs/dbraw/zinc/12/99/65/722129965.db2.gz VWUFVAXQWCVHQS-VGSWGCGISA-N 1 1 423.492 2.900 20 0 HFADMO COc1nnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c2ccccc21 ZINC001164985490 722140009 /nfs/dbraw/zinc/14/00/09/722140009.db2.gz ZQCJXSLUOZHTIM-WIYYLYMNSA-N 1 1 405.502 2.761 20 0 HFADMO Cc1nc(CN2CCO[C@@H]3CCN(c4nc(N5CCCC5)cc[nH+]4)CC[C@@H]32)cs1 ZINC001164985631 722173452 /nfs/dbraw/zinc/17/34/52/722173452.db2.gz IEDVEGIDCCOHCX-RBUKOAKNSA-N 1 1 414.579 2.712 20 0 HFADMO Cc1nc(CN2CCO[C@H]3CCN(c4nc(N5CCCC5)cc[nH+]4)CC[C@H]32)cs1 ZINC001164985622 722173471 /nfs/dbraw/zinc/17/34/71/722173471.db2.gz IEDVEGIDCCOHCX-MOPGFXCFSA-N 1 1 414.579 2.712 20 0 HFADMO CN1CCN(c2ccc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nn2)CC1 ZINC001164995019 722193099 /nfs/dbraw/zinc/19/30/99/722193099.db2.gz RLEGEVBLKDKBQN-HSZRJFAPSA-N 1 1 410.541 2.612 20 0 HFADMO CN1CCN(c2ccc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nn2)CC1 ZINC001164995019 722193101 /nfs/dbraw/zinc/19/31/01/722193101.db2.gz RLEGEVBLKDKBQN-HSZRJFAPSA-N 1 1 410.541 2.612 20 0 HFADMO Cn1cccc1C(=O)N1CCO[C@@H]2C[N@@H+](C(C)(C)c3ccnc(Cl)c3)C[C@H]2C1 ZINC001165004445 722245008 /nfs/dbraw/zinc/24/50/08/722245008.db2.gz OXHZXQDGUHDAKD-CRAIPNDOSA-N 1 1 402.926 2.782 20 0 HFADMO Cn1cccc1C(=O)N1CCO[C@@H]2C[N@H+](C(C)(C)c3ccnc(Cl)c3)C[C@H]2C1 ZINC001165004445 722245009 /nfs/dbraw/zinc/24/50/09/722245009.db2.gz OXHZXQDGUHDAKD-CRAIPNDOSA-N 1 1 402.926 2.782 20 0 HFADMO C[C@@H](NC(=O)C(=O)Nc1cccc(Br)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000793018368 1078050698 /nfs/dbraw/zinc/05/06/98/1078050698.db2.gz DGHHLYNYQXPCTO-OLZOCXBDSA-N 1 1 409.328 2.552 20 0 HFADMO COC(=O)c1nn(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)c1Br ZINC000772825846 1078054506 /nfs/dbraw/zinc/05/45/06/1078054506.db2.gz DFTKSRXSTGRIPE-UKRRQHHQSA-N 1 1 411.344 2.647 20 0 HFADMO CC(C)n1nccc1C[N@@H+]1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC000793087260 1078065293 /nfs/dbraw/zinc/06/52/93/1078065293.db2.gz GVTJGTRHZXJSRV-QGZVFWFLSA-N 1 1 405.543 2.508 20 0 HFADMO CC(C)n1nccc1C[N@H+]1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC000793087260 1078065297 /nfs/dbraw/zinc/06/52/97/1078065297.db2.gz GVTJGTRHZXJSRV-QGZVFWFLSA-N 1 1 405.543 2.508 20 0 HFADMO C[C@@H]1C[C@H](NC(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000793087387 1078065314 /nfs/dbraw/zinc/06/53/14/1078065314.db2.gz YCHJHZJBZDOZCN-NRJQMVOHSA-N 1 1 400.523 2.712 20 0 HFADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1 ZINC000793091491 1078066948 /nfs/dbraw/zinc/06/69/48/1078066948.db2.gz HYXGUXBTAGNBGV-PERKRYKHSA-N 1 1 400.523 2.570 20 0 HFADMO Cc1ccc2c(c1)CC[C@@H](C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000793097943 1078075544 /nfs/dbraw/zinc/07/55/44/1078075544.db2.gz JHRCQXZEFVLJMG-FQEVSTJZSA-N 1 1 417.550 2.748 20 0 HFADMO CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)cc1 ZINC000793108464 1078080513 /nfs/dbraw/zinc/08/05/13/1078080513.db2.gz LNSFVJKKCDAFHV-FQEVSTJZSA-N 1 1 424.501 2.579 20 0 HFADMO CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)cc1 ZINC000793108464 1078080518 /nfs/dbraw/zinc/08/05/18/1078080518.db2.gz LNSFVJKKCDAFHV-FQEVSTJZSA-N 1 1 424.501 2.579 20 0 HFADMO C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(SC(F)F)nc2)C[C@H]1Cc1ccccc1 ZINC000793108752 1078080533 /nfs/dbraw/zinc/08/05/33/1078080533.db2.gz OHRDGGAMHAQTOR-MRXNPFEDSA-N 1 1 420.485 2.720 20 0 HFADMO C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(SC(F)F)nc2)C[C@H]1Cc1ccccc1 ZINC000793108752 1078080536 /nfs/dbraw/zinc/08/05/36/1078080536.db2.gz OHRDGGAMHAQTOR-MRXNPFEDSA-N 1 1 420.485 2.720 20 0 HFADMO CCCOC(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)cc1 ZINC000793109206 1078081727 /nfs/dbraw/zinc/08/17/27/1078081727.db2.gz TYYNJJPMQSSJBU-NRFANRHFSA-N 1 1 423.513 2.577 20 0 HFADMO CCCOC(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)cc1 ZINC000793109206 1078081728 /nfs/dbraw/zinc/08/17/28/1078081728.db2.gz TYYNJJPMQSSJBU-NRFANRHFSA-N 1 1 423.513 2.577 20 0 HFADMO COCC1(CNC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000790770390 1078111055 /nfs/dbraw/zinc/11/10/55/1078111055.db2.gz QSTUMVVYLCPWJC-DLBZAZTESA-N 1 1 424.586 2.575 20 0 HFADMO C[C@]12CCN(C(=O)NCc3ccccc3C[N@H+]3CC[C@@H](O)C3)C[C@H]1C2(Cl)Cl ZINC000790812992 1078127149 /nfs/dbraw/zinc/12/71/49/1078127149.db2.gz JDJFHJCYZZJPRF-LMMKCTJWSA-N 1 1 412.361 2.979 20 0 HFADMO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3COCCN3C3CCCC3)cc2Cl)CC1 ZINC000793316497 1078134929 /nfs/dbraw/zinc/13/49/29/1078134929.db2.gz JHDSKUASSKETFC-HXUWFJFHSA-N 1 1 406.958 2.674 20 0 HFADMO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cnc(Br)c(Cl)c1 ZINC000790850356 1078148325 /nfs/dbraw/zinc/14/83/25/1078148325.db2.gz JXGIHZJYVZHOOJ-KGLIPLIRSA-N 1 1 402.720 2.871 20 0 HFADMO CC(C)[N@H+]1CCCN(C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000793384927 1078162233 /nfs/dbraw/zinc/16/22/33/1078162233.db2.gz QBKJLJNJCUMCFV-PMACEKPBSA-N 1 1 410.518 2.521 20 0 HFADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cc(C4CC4)cnc3Cl)CC2)CC1 ZINC000793467342 1078182261 /nfs/dbraw/zinc/18/22/61/1078182261.db2.gz IYHYBNDRKWYOSR-UHFFFAOYSA-N 1 1 404.942 2.629 20 0 HFADMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793476231 1078185913 /nfs/dbraw/zinc/18/59/13/1078185913.db2.gz DJOBRZMKHCBWFU-SLFFLAALSA-N 1 1 410.518 2.569 20 0 HFADMO Cc1nc(SC(F)F)sc1CC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000793513898 1078196114 /nfs/dbraw/zinc/19/61/14/1078196114.db2.gz UQYAZAIVAACKOX-CYBMUJFWSA-N 1 1 404.552 2.547 20 0 HFADMO COC(=O)CC[C@]1(C)NC(=O)N(C[NH+]2CCC(c3ccc(F)cc3C)CC2)C1=O ZINC000793544965 1078207573 /nfs/dbraw/zinc/20/75/73/1078207573.db2.gz LJZQHOJGBILXBG-NRFANRHFSA-N 1 1 405.470 2.535 20 0 HFADMO COC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c(Br)c1 ZINC000793587590 1078216161 /nfs/dbraw/zinc/21/61/61/1078216161.db2.gz HVSITLBLTQRGEG-RDJZCZTQSA-N 1 1 422.323 2.915 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CN2C(=O)N[C@@](C)(c3ccccc3C)C2=O)C1 ZINC000793598133 1078219470 /nfs/dbraw/zinc/21/94/70/1078219470.db2.gz MMWUXSDEEADUGT-BJKOFHAPSA-N 1 1 421.497 2.536 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CN2C(=O)N[C@@](C)(c3ccccc3C)C2=O)C1 ZINC000793598133 1078219474 /nfs/dbraw/zinc/21/94/74/1078219474.db2.gz MMWUXSDEEADUGT-BJKOFHAPSA-N 1 1 421.497 2.536 20 0 HFADMO COCC1(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793572863 1078225328 /nfs/dbraw/zinc/22/53/28/1078225328.db2.gz NFABWEZNOJJHRJ-AYHJJNSGSA-N 1 1 409.571 2.782 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](Cc3cnc(N4CCOCC4)s3)C2)C1 ZINC000793604704 1078222551 /nfs/dbraw/zinc/22/25/51/1078222551.db2.gz MBWNIIJQKLTLPD-HXUWFJFHSA-N 1 1 408.568 2.813 20 0 HFADMO C[C@H](O)c1ccc(CNC(=O)C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000793644681 1078240008 /nfs/dbraw/zinc/24/00/08/1078240008.db2.gz OPJPTBBJXOWSNI-IBGZPJMESA-N 1 1 423.557 2.727 20 0 HFADMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3csc(CCNC(=O)OC(C)(C)C)n3)CC[C@@H]21 ZINC000793676962 1078250883 /nfs/dbraw/zinc/25/08/83/1078250883.db2.gz FYRZTIRWBZIDRQ-ZBFHGGJFSA-N 1 1 408.568 2.767 20 0 HFADMO C[C@@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000793689194 1078257220 /nfs/dbraw/zinc/25/72/20/1078257220.db2.gz KTJIVFRXGNRLBC-DNVCBOLYSA-N 1 1 403.523 2.823 20 0 HFADMO C[C@@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000793689194 1078257225 /nfs/dbraw/zinc/25/72/25/1078257225.db2.gz KTJIVFRXGNRLBC-DNVCBOLYSA-N 1 1 403.523 2.823 20 0 HFADMO CCN1C(=O)CN(CN2CC[N@@H+](CCCc3ccccc3)C[C@H]2CC(C)C)C1=O ZINC000793726719 1078268254 /nfs/dbraw/zinc/26/82/54/1078268254.db2.gz YJWKIUHOULKREO-OAQYLSRUSA-N 1 1 400.567 2.893 20 0 HFADMO Cn1cc([C@@H]2N(C[N@@H+]3CC[C@@H]4[C@H](CCN4C(=O)OC(C)(C)C)C3)C(=O)C2(C)C)cn1 ZINC000793720354 1078264606 /nfs/dbraw/zinc/26/46/06/1078264606.db2.gz HPTIVERCUYGZAW-NXHRZFHOSA-N 1 1 417.554 2.618 20 0 HFADMO Cn1cc([C@@H]2N(C[N@H+]3CC[C@@H]4[C@H](CCN4C(=O)OC(C)(C)C)C3)C(=O)C2(C)C)cn1 ZINC000793720354 1078264610 /nfs/dbraw/zinc/26/46/10/1078264610.db2.gz HPTIVERCUYGZAW-NXHRZFHOSA-N 1 1 417.554 2.618 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793692775 1078270088 /nfs/dbraw/zinc/27/00/88/1078270088.db2.gz DTKSTBUAOKSVMI-DYXWJJEUSA-N 1 1 409.530 2.597 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000793697870 1078272503 /nfs/dbraw/zinc/27/25/03/1078272503.db2.gz RZKUVOLWBJYARJ-SVFBPWRDSA-N 1 1 409.530 2.739 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C(=O)C(C)(C)[C@@H]3[C@H]3CCCO3)CC[C@@H]21 ZINC000793706054 1078276244 /nfs/dbraw/zinc/27/62/44/1078276244.db2.gz MHLKWFHYOFAGGH-XDNAFOTISA-N 1 1 407.555 2.691 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C(=O)C(C)(C)[C@@H]3[C@H]3CCCO3)CC[C@@H]21 ZINC000793706054 1078276250 /nfs/dbraw/zinc/27/62/50/1078276250.db2.gz MHLKWFHYOFAGGH-XDNAFOTISA-N 1 1 407.555 2.691 20 0 HFADMO CCCn1c2nn(CN3CC[C@]4(CC[N@@H+](C)C4)C3)c(=S)n2c2ccccc2c1=O ZINC000793746083 1078289081 /nfs/dbraw/zinc/28/90/81/1078289081.db2.gz PWFMKWOXOOVMDU-NRFANRHFSA-N 1 1 412.563 2.575 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000793804463 1078303834 /nfs/dbraw/zinc/30/38/34/1078303834.db2.gz IGWJFETYFQEGEY-FOIQADDNSA-N 1 1 421.476 2.941 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H](C)c1nc2ccccc2s1 ZINC000793806014 1078304975 /nfs/dbraw/zinc/30/49/75/1078304975.db2.gz JQNJCPACCNKQLP-CYBMUJFWSA-N 1 1 420.498 2.679 20 0 HFADMO CCC[C@H](Cc1ccccc1)NC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000793805725 1078305284 /nfs/dbraw/zinc/30/52/84/1078305284.db2.gz JHVQNMBLDBWJBY-HXUWFJFHSA-N 1 1 405.502 2.720 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793793431 1078299027 /nfs/dbraw/zinc/29/90/27/1078299027.db2.gz REKWOCGHOYNEPH-JAXLGGSGSA-N 1 1 423.557 2.905 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)CC(C)(C)c1ccc(C)cc1 ZINC000793806622 1078306026 /nfs/dbraw/zinc/30/60/26/1078306026.db2.gz UODIROUZZQFVEV-UHFFFAOYSA-N 1 1 419.529 2.937 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000793809078 1078306714 /nfs/dbraw/zinc/30/67/14/1078306714.db2.gz WTNHIFTXFGPXQS-UHFFFAOYSA-N 1 1 407.449 2.522 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000793777844 1078309146 /nfs/dbraw/zinc/30/91/46/1078309146.db2.gz HEDORUXGBAUMRG-ZVDOUQERSA-N 1 1 409.530 2.830 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000793778700 1078309681 /nfs/dbraw/zinc/30/96/81/1078309681.db2.gz JNUOKNIUEMDIHI-UNMCSNQZSA-N 1 1 423.557 2.559 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)[C@H](C)c1cc(F)ccc1F ZINC000793810237 1078313919 /nfs/dbraw/zinc/31/39/19/1078313919.db2.gz SKGWXMKAICCUDP-CYBMUJFWSA-N 1 1 413.428 2.690 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1Cc2nccn2C[C@@H](CN2CCCC2=O)C1 ZINC001170438555 1078322449 /nfs/dbraw/zinc/32/24/49/1078322449.db2.gz TYVOBYXIPWEXFV-RBUKOAKNSA-N 1 1 410.518 2.687 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCC[C@@]2(C1)COCCN(CCOC)C2 ZINC001170438543 1078322560 /nfs/dbraw/zinc/32/25/60/1078322560.db2.gz TXJQREBOZIDUJR-NFBKMPQASA-N 1 1 404.551 2.797 20 0 HFADMO Cc1c[nH+]cn1C1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000793848711 1078323069 /nfs/dbraw/zinc/32/30/69/1078323069.db2.gz RJKOHQNFBVVBPD-UHFFFAOYSA-N 1 1 420.510 2.592 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H]2COC[C@@H](C(=O)N3CCCC3)[C@@H]2C1 ZINC001170438953 1078325618 /nfs/dbraw/zinc/32/56/18/1078325618.db2.gz WMVLQSYGGAQKEA-IYWMVGAKSA-N 1 1 400.519 2.553 20 0 HFADMO O=C(C[C@H](O)c1ccc(Cl)cc1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000772838703 1078329614 /nfs/dbraw/zinc/32/96/14/1078329614.db2.gz UVSOYYICQDQJAX-JBACZVJFSA-N 1 1 402.922 2.763 20 0 HFADMO Cc1ccc([C@@H](C)NC(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000793866898 1078327960 /nfs/dbraw/zinc/32/79/60/1078327960.db2.gz QHUKTNWHWAPRJA-GOSISDBHSA-N 1 1 414.575 2.514 20 0 HFADMO COc1cc(CNC(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccc1C ZINC000793867297 1078328048 /nfs/dbraw/zinc/32/80/48/1078328048.db2.gz JQLODTOMAVIYFO-DEOSSOPVSA-N 1 1 409.530 2.648 20 0 HFADMO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCC([C@H](O)c3ccccc3)CC2)c1 ZINC000793868368 1078328391 /nfs/dbraw/zinc/32/83/91/1078328391.db2.gz OBAGQOKWGCQZBS-HSZRJFAPSA-N 1 1 423.557 2.727 20 0 HFADMO C[C@H]1C[C@@H](NC(=O)C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC[N@H+]1C ZINC000793868891 1078328531 /nfs/dbraw/zinc/32/85/31/1078328531.db2.gz GFICKWUFWPENJS-PXNSSMCTSA-N 1 1 414.594 2.668 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)CCc2ccccc2NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000793873425 1078330038 /nfs/dbraw/zinc/33/00/38/1078330038.db2.gz AVWILERHXNGMPI-SJORKVTESA-N 1 1 405.539 2.880 20 0 HFADMO Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000793872933 1078330233 /nfs/dbraw/zinc/33/02/33/1078330233.db2.gz DSOKTHZUZSNSIK-SJORKVTESA-N 1 1 400.475 2.507 20 0 HFADMO Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000793872933 1078330239 /nfs/dbraw/zinc/33/02/39/1078330239.db2.gz DSOKTHZUZSNSIK-SJORKVTESA-N 1 1 400.475 2.507 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)C[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000793873907 1078330782 /nfs/dbraw/zinc/33/07/82/1078330782.db2.gz DJEQQBLRRGXYCR-KSZLIROESA-N 1 1 411.587 2.573 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)C[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000793875476 1078331049 /nfs/dbraw/zinc/33/10/49/1078331049.db2.gz RLQYPXBIEAANSN-RDGPPVDQSA-N 1 1 411.587 2.573 20 0 HFADMO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000793931356 1078341164 /nfs/dbraw/zinc/34/11/64/1078341164.db2.gz MUYIUOSVEQWSMQ-AUSIDOKSSA-N 1 1 422.573 2.658 20 0 HFADMO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000793913351 1078336302 /nfs/dbraw/zinc/33/63/02/1078336302.db2.gz QTJZPPCZCMVRCM-AZUAARDMSA-N 1 1 403.567 2.504 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H](NC(=O)c2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001170439926 1078341976 /nfs/dbraw/zinc/34/19/76/1078341976.db2.gz ANHDWUKFASBZDX-SRYPRDQNSA-N 1 1 423.513 2.793 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21 ZINC001170440299 1078347949 /nfs/dbraw/zinc/34/79/49/1078347949.db2.gz CMFVEFJANLZIKR-PXCRPINLSA-N 1 1 400.519 2.981 20 0 HFADMO C[C@H]1C[N@@H+](CCCNC(=O)[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)CCCO1 ZINC000793965871 1078348833 /nfs/dbraw/zinc/34/88/33/1078348833.db2.gz ISKIAEZLQGDNTN-CVDCTZTESA-N 1 1 417.550 2.652 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001170440383 1078349083 /nfs/dbraw/zinc/34/90/83/1078349083.db2.gz CLQNBANCAPZFMG-SOAMZJECSA-N 1 1 402.491 2.522 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCn2nnc(COCc3cccnc3)c2C1 ZINC001170441415 1078360776 /nfs/dbraw/zinc/36/07/76/1078360776.db2.gz HJZJPUSFXFBPBC-IBGZPJMESA-N 1 1 421.501 2.956 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCn2nnc(COCc3cccnc3)c2C1 ZINC001170441415 1078360781 /nfs/dbraw/zinc/36/07/81/1078360781.db2.gz HJZJPUSFXFBPBC-IBGZPJMESA-N 1 1 421.501 2.956 20 0 HFADMO O=C(CCc1cncnc1)NN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000794209398 1078393646 /nfs/dbraw/zinc/39/36/46/1078393646.db2.gz FCRVWBJRAJIKOA-UHFFFAOYSA-N 1 1 401.514 2.848 20 0 HFADMO CC[N@@H+](CCN1CCc2ccccc21)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000794270459 1078397765 /nfs/dbraw/zinc/39/77/65/1078397765.db2.gz GHXAXSOPVOAAKC-UHFFFAOYSA-N 1 1 408.546 2.846 20 0 HFADMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)N(CC)CC)c1 ZINC000794272823 1078398022 /nfs/dbraw/zinc/39/80/22/1078398022.db2.gz ZVZDQVNJXDWQOR-HNNXBMFYSA-N 1 1 401.548 2.706 20 0 HFADMO CCc1nc(C)c(C[N@H+]2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)o1 ZINC000794292882 1078402538 /nfs/dbraw/zinc/40/25/38/1078402538.db2.gz KOFXUKXJSPBTAE-QGZVFWFLSA-N 1 1 420.554 2.837 20 0 HFADMO C[N@H+](C[C@@H](O)CCNC(=O)OC(C)(C)C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000794375085 1078430061 /nfs/dbraw/zinc/43/00/61/1078430061.db2.gz HWJRVKKTIDBRJF-YOEHRIQHSA-N 1 1 411.930 2.653 20 0 HFADMO C[N@@H+](C[C@@H](O)CCNC(=O)OC(C)(C)C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000794375085 1078430063 /nfs/dbraw/zinc/43/00/63/1078430063.db2.gz HWJRVKKTIDBRJF-YOEHRIQHSA-N 1 1 411.930 2.653 20 0 HFADMO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1cccc(Br)n1 ZINC000794376380 1078430504 /nfs/dbraw/zinc/43/05/04/1078430504.db2.gz ZKPJBRAVNYNRSD-UHFFFAOYSA-N 1 1 413.360 2.829 20 0 HFADMO C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1cccc(Br)n1 ZINC000794376380 1078430505 /nfs/dbraw/zinc/43/05/05/1078430505.db2.gz ZKPJBRAVNYNRSD-UHFFFAOYSA-N 1 1 413.360 2.829 20 0 HFADMO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000804382210 1078440866 /nfs/dbraw/zinc/44/08/66/1078440866.db2.gz YPIXDIXHEOYWFA-OAHLLOKOSA-N 1 1 403.552 2.575 20 0 HFADMO CC[N@H+]1CCN(C(=O)C[C@](O)(c2nc3ccccc3s2)C(F)(F)F)[C@@H](C)C1 ZINC000804379261 1078454683 /nfs/dbraw/zinc/45/46/83/1078454683.db2.gz ITKXSNGDEFMLKU-SJCJKPOMSA-N 1 1 401.454 2.989 20 0 HFADMO CN(C(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)C(C)(C)C[NH+]1CCOCC1 ZINC001129773012 1078483546 /nfs/dbraw/zinc/48/35/46/1078483546.db2.gz LHWQYVDQWZKYIZ-FGTMMUONSA-N 1 1 407.352 2.904 20 0 HFADMO CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000804650971 1078477223 /nfs/dbraw/zinc/47/72/23/1078477223.db2.gz DANMOKJJPOSRIT-FQEVSTJZSA-N 1 1 409.571 2.739 20 0 HFADMO C[C@@](O)(CC(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000804447431 1078513751 /nfs/dbraw/zinc/51/37/51/1078513751.db2.gz FMIUSTNKJPPLMU-ILBGXUMGSA-N 1 1 407.558 2.703 20 0 HFADMO Cn1cnc(/C=C\C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)c1 ZINC001129823773 1078518711 /nfs/dbraw/zinc/51/87/11/1078518711.db2.gz RMBHKCHQNRYAPK-WAYWQWQTSA-N 1 1 403.324 2.977 20 0 HFADMO COC(=O)c1cnc(N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)cc1C(F)(F)F ZINC000804463984 1078527416 /nfs/dbraw/zinc/52/74/16/1078527416.db2.gz LIZFLYIVBKFDLW-AWEZNQCLSA-N 1 1 423.439 2.905 20 0 HFADMO CCS(=O)(=O)CCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001129863778 1078541540 /nfs/dbraw/zinc/54/15/40/1078541540.db2.gz ZGCXYVWDPVCIQX-RTBURBONSA-N 1 1 420.600 2.905 20 0 HFADMO C[C@@H](C(=O)NCC1([NH+]2CCOCC2)CCOCC1)c1cccc(Br)c1 ZINC001129556388 1078546772 /nfs/dbraw/zinc/54/67/72/1078546772.db2.gz VCEPMTTYWRPHCR-OAHLLOKOSA-N 1 1 411.340 2.550 20 0 HFADMO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(I)c1O ZINC000804525382 1078563457 /nfs/dbraw/zinc/56/34/57/1078563457.db2.gz ARKGGZUFDAZQCC-RYUDHWBXSA-N 1 1 400.260 2.696 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2cccc(S(C)(=O)=O)c2)CC1 ZINC001170455292 1078556929 /nfs/dbraw/zinc/55/69/29/1078556929.db2.gz HTMSFVMGRYXFAZ-SFHVURJKSA-N 1 1 416.543 2.962 20 0 HFADMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC001129599595 1078573851 /nfs/dbraw/zinc/57/38/51/1078573851.db2.gz NRFKBWHOCQIWLU-PXDATVDWSA-N 1 1 405.542 2.863 20 0 HFADMO COc1ccc(C)cc1CC(=O)OCC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000804743749 1078579763 /nfs/dbraw/zinc/57/97/63/1078579763.db2.gz NBVGPAKMKRBUJF-IBGZPJMESA-N 1 1 410.514 2.995 20 0 HFADMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000804731260 1078589177 /nfs/dbraw/zinc/58/91/77/1078589177.db2.gz LCFNYZPBWJTGFE-AEFFLSMTSA-N 1 1 409.452 2.622 20 0 HFADMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000804731262 1078589357 /nfs/dbraw/zinc/58/93/57/1078589357.db2.gz LCFNYZPBWJTGFE-SJLPKXTDSA-N 1 1 409.452 2.622 20 0 HFADMO CN(C(=O)/C=C\c1ccc(I)o1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000804564840 1078599662 /nfs/dbraw/zinc/59/96/62/1078599662.db2.gz PPNYYASIBSLAKN-ZBGKIXFSSA-N 1 1 400.260 2.981 20 0 HFADMO Cc1ccc(C(=O)NCCCC[N@H+](C)C2CC2)cc1S(=O)(=O)N1CCCCC1 ZINC001129628764 1078601915 /nfs/dbraw/zinc/60/19/15/1078601915.db2.gz YZKCYZDCXPLUDQ-UHFFFAOYSA-N 1 1 407.580 2.774 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1C[C@H]1C ZINC000804777115 1078603058 /nfs/dbraw/zinc/60/30/58/1078603058.db2.gz QOMBPWLUKDSZCQ-OWCLPIDISA-N 1 1 403.523 2.903 20 0 HFADMO CCc1c(C(=O)N2CC[NH+](C(C)(C)COC)CC2)nnn1-c1cccc(Cl)c1 ZINC001129925437 1078616816 /nfs/dbraw/zinc/61/68/16/1078616816.db2.gz GAJJKSPLBYHHIX-UHFFFAOYSA-N 1 1 405.930 2.666 20 0 HFADMO COc1ccc(CCC(=O)N(C)C(C)(C)C[NH+]2CCOCC2)c(Br)c1 ZINC001129658625 1078620030 /nfs/dbraw/zinc/62/00/30/1078620030.db2.gz KVCNAMBDXQVTGC-UHFFFAOYSA-N 1 1 413.356 2.960 20 0 HFADMO CCN1CC[NH+](CC(C)(C)NC(=O)C2=Cc3cc(Br)ccc3OC2)CC1 ZINC001129961880 1078635989 /nfs/dbraw/zinc/63/59/89/1078635989.db2.gz FQSJWSUUYJPUMV-UHFFFAOYSA-N 1 1 422.367 2.757 20 0 HFADMO CC(=O)c1ccc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(S(N)(=O)=O)c1 ZINC000804811878 1078657065 /nfs/dbraw/zinc/65/70/65/1078657065.db2.gz FRLCBQVLHAWULH-JOCHJYFZSA-N 1 1 413.543 2.639 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000804830060 1078670811 /nfs/dbraw/zinc/67/08/11/1078670811.db2.gz OHGRPYJIAIPBLR-PKOBYXMFSA-N 1 1 400.567 2.528 20 0 HFADMO C[NH+]1CCN([C@H](C(=O)Nc2cccc(N=S(C)(C)=O)c2)c2ccccc2)CC1 ZINC001129738838 1078686381 /nfs/dbraw/zinc/68/63/81/1078686381.db2.gz MHKUVVFVTFTQRT-FQEVSTJZSA-N 1 1 400.548 2.973 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc3ccco3)C2)c1 ZINC000804868109 1078692185 /nfs/dbraw/zinc/69/21/85/1078692185.db2.gz VVUQBRNFHUTESN-OAQYLSRUSA-N 1 1 415.490 2.770 20 0 HFADMO C[C@@H]1C[C@H](NC(=O)C(=O)NCC[C@](C)(O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000804644606 1078697231 /nfs/dbraw/zinc/69/72/31/1078697231.db2.gz KTAVKLWLUWTCQM-QNIAMRLHSA-N 1 1 423.557 2.570 20 0 HFADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](c3ccccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC000804643973 1078698775 /nfs/dbraw/zinc/69/87/75/1078698775.db2.gz UXBJSVBQMAWZDD-NRSPTQNISA-N 1 1 406.530 2.567 20 0 HFADMO Cc1ccccc1[C@H](O)C1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000804902259 1078757963 /nfs/dbraw/zinc/75/79/63/1078757963.db2.gz ZKPPYNXFHNNODB-FCHUYYIVSA-N 1 1 403.567 2.807 20 0 HFADMO CC(C)C[N@H+]1CCO[C@@H](COC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)C1 ZINC000804944623 1078771773 /nfs/dbraw/zinc/77/17/73/1078771773.db2.gz ZVIKCEGWWDCHOP-AZUAARDMSA-N 1 1 403.523 2.831 20 0 HFADMO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000804927568 1078783895 /nfs/dbraw/zinc/78/38/95/1078783895.db2.gz HEBWIRGVMSYWNG-NHCUHLMSSA-N 1 1 417.550 2.793 20 0 HFADMO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000804927568 1078783898 /nfs/dbraw/zinc/78/38/98/1078783898.db2.gz HEBWIRGVMSYWNG-NHCUHLMSSA-N 1 1 417.550 2.793 20 0 HFADMO O=C(NCCSC(F)(F)F)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804962044 1078801128 /nfs/dbraw/zinc/80/11/28/1078801128.db2.gz UDHRNWOUPZDRSZ-KRWDZBQOSA-N 1 1 416.513 2.841 20 0 HFADMO 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INJHXTRJOOVXNY-UHFFFAOYSA-N 1 1 420.608 2.881 20 0 HFADMO CCN(CCC[NH+](CC)CC)C(=O)c1[nH]nc2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000788537592 1077193114 /nfs/dbraw/zinc/19/31/14/1077193114.db2.gz VIIGNUKRHVYIAC-UHFFFAOYSA-N 1 1 407.559 2.897 20 0 HFADMO C[C@]1(CNC(=O)C(=O)NCCSC(F)(F)F)CCC[N@H+]1Cc1ccccc1 ZINC000788542615 1077195207 /nfs/dbraw/zinc/19/52/07/1077195207.db2.gz OBCMMCSNQBPCHF-QGZVFWFLSA-N 1 1 403.470 2.527 20 0 HFADMO C[C@H]([NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1nc(Br)ccc1F ZINC000788585862 1077213224 /nfs/dbraw/zinc/21/32/24/1077213224.db2.gz XAWZZHIXLXGDMF-XTZNXHDOSA-N 1 1 421.270 2.889 20 0 HFADMO C[C@@H]1CN(c2ccc(NC(=O)N(C)CC[N@@H+]3CCOC(C)(C)C3)cc2)C[C@H](C)O1 ZINC000788587606 1077213824 /nfs/dbraw/zinc/21/38/24/1077213824.db2.gz HXAQTSQOBSYRMX-HDICACEKSA-N 1 1 404.555 2.875 20 0 HFADMO C[C@@H]1CN(c2ccc(NC(=O)N(C)CC[N@H+]3CCOC(C)(C)C3)cc2)C[C@H](C)O1 ZINC000788587606 1077213828 /nfs/dbraw/zinc/21/38/28/1077213828.db2.gz HXAQTSQOBSYRMX-HDICACEKSA-N 1 1 404.555 2.875 20 0 HFADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000788649381 1077224690 /nfs/dbraw/zinc/22/46/90/1077224690.db2.gz BDYSRZJWIHNMJL-SEONNTABSA-N 1 1 424.545 2.815 20 0 HFADMO CCC(C)(C)c1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000790928857 1077237069 /nfs/dbraw/zinc/23/70/69/1077237069.db2.gz YKKDYZSVPRWAEJ-HXUWFJFHSA-N 1 1 400.567 2.551 20 0 HFADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000788642518 1077244791 /nfs/dbraw/zinc/24/47/91/1077244791.db2.gz PSLPTCSRBCZVBN-SFHVURJKSA-N 1 1 418.538 2.813 20 0 HFADMO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]Cc1ccc(S(=O)(=O)CCO)cc1 ZINC000791006812 1077266406 /nfs/dbraw/zinc/26/64/06/1077266406.db2.gz OBNXRROBEWONRF-UHFFFAOYSA-N 1 1 419.934 2.890 20 0 HFADMO O=C1C[C@H](Cc2ccccc2)C(=O)N1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000788768944 1077282932 /nfs/dbraw/zinc/28/29/32/1077282932.db2.gz HOGIBBKOUTVYCG-FPOVZHCZSA-N 1 1 400.519 2.612 20 0 HFADMO COc1ccc(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)nc1I ZINC000791063652 1077286907 /nfs/dbraw/zinc/28/69/07/1077286907.db2.gz XEEWNXVIRHRYQY-ZDUSSCGKSA-N 1 1 417.291 2.545 20 0 HFADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000788745988 1077288335 /nfs/dbraw/zinc/28/83/35/1077288335.db2.gz BOWPXJSMRXABCD-QUCCMNQESA-N 1 1 400.567 2.939 20 0 HFADMO O=C([C@@H]1CC12CC[NH+](CN1C(=O)C[C@@H](Cc3ccccc3)C1=O)CC2)N1CCCCC1 ZINC000788777004 1077298064 /nfs/dbraw/zinc/29/80/64/1077298064.db2.gz JEGAIIDHBRBGBS-RTWAWAEBSA-N 1 1 423.557 2.676 20 0 HFADMO C[C@H](CNC(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2)[N@@H+]1CCc2sccc2C1 ZINC000788823326 1077309792 /nfs/dbraw/zinc/30/97/92/1077309792.db2.gz LSIGPOLMLIXQKT-GDBMZVCRSA-N 1 1 405.564 2.868 20 0 HFADMO C[C@H](CNC(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2)[N@H+]1CCc2sccc2C1 ZINC000788823326 1077309798 /nfs/dbraw/zinc/30/97/98/1077309798.db2.gz LSIGPOLMLIXQKT-GDBMZVCRSA-N 1 1 405.564 2.868 20 0 HFADMO CCN1CC[NH+](Cc2ccc(NS(=O)(=O)C3=Cc4ccccc4OC3)cc2)CC1 ZINC000788840225 1077316691 /nfs/dbraw/zinc/31/66/91/1077316691.db2.gz CCEGBJIDSFMMGA-UHFFFAOYSA-N 1 1 413.543 2.999 20 0 HFADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2nc(Br)sc2C2CC2)C1 ZINC000791198865 1077320971 /nfs/dbraw/zinc/32/09/71/1077320971.db2.gz FHDWSOHRJSIRMB-LBPRGKRZSA-N 1 1 402.358 2.870 20 0 HFADMO CC(C)[C@@H](CNC(=O)N1CCC(COc2ccc(Cl)nc2)CC1)[NH+]1CCOCC1 ZINC000788856617 1077334680 /nfs/dbraw/zinc/33/46/80/1077334680.db2.gz YGVANEHDLUXRBU-LJQANCHMSA-N 1 1 424.973 2.892 20 0 HFADMO O=C(/C=C\c1ccc(I)o1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000791260262 1077351038 /nfs/dbraw/zinc/35/10/38/1077351038.db2.gz SXFNYEPMRBWBLD-UARNIUSMSA-N 1 1 404.223 2.542 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCCc1ccc(Br)cc1F ZINC000788989960 1077374894 /nfs/dbraw/zinc/37/48/94/1077374894.db2.gz VYIXOUVFKPHMHJ-UHFFFAOYSA-N 1 1 416.335 2.883 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCCc1ccc(Br)cc1F ZINC000788989960 1077374900 /nfs/dbraw/zinc/37/49/00/1077374900.db2.gz VYIXOUVFKPHMHJ-UHFFFAOYSA-N 1 1 416.335 2.883 20 0 HFADMO C[C@H](NC(=O)[C@H]1CC(c2c(F)cccc2F)=NO1)C1([NH+]2CCOCC2)CCCC1 ZINC000791371243 1077385260 /nfs/dbraw/zinc/38/52/60/1077385260.db2.gz IXQOEXXMILGKFO-KBXCAEBGSA-N 1 1 407.461 2.608 20 0 HFADMO CC(C)C[N@H+]1CCO[C@@H](COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C1 ZINC000791347142 1077389687 /nfs/dbraw/zinc/38/96/87/1077389687.db2.gz JILARKPAEAILSP-HXUWFJFHSA-N 1 1 403.523 2.831 20 0 HFADMO C[C@@H](CNC(=O)C(=O)Nc1ccnn1C1CCCC1)[N@@H+]1CCc2sccc2C1 ZINC000746784709 1077395986 /nfs/dbraw/zinc/39/59/86/1077395986.db2.gz ZSKHZOBAYFPKCX-AWEZNQCLSA-N 1 1 401.536 2.561 20 0 HFADMO C[C@@H](CNC(=O)C(=O)Nc1ccnn1C1CCCC1)[N@H+]1CCc2sccc2C1 ZINC000746784709 1077395991 /nfs/dbraw/zinc/39/59/91/1077395991.db2.gz ZSKHZOBAYFPKCX-AWEZNQCLSA-N 1 1 401.536 2.561 20 0 HFADMO C[C@H](OC(=O)c1c[nH]nc1-c1ccoc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000789076274 1077398094 /nfs/dbraw/zinc/39/80/94/1077398094.db2.gz BJDFSQXNSQLVIC-YJBOKZPZSA-N 1 1 408.458 2.606 20 0 HFADMO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2c[nH+]c3n2CCCC3)c1 ZINC000791396187 1077398239 /nfs/dbraw/zinc/39/82/39/1077398239.db2.gz CYJXNXRVBSCUDN-UHFFFAOYSA-N 1 1 424.954 2.880 20 0 HFADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000791409944 1077401933 /nfs/dbraw/zinc/40/19/33/1077401933.db2.gz XCNMDRNLPUCJKP-HNNXBMFYSA-N 1 1 415.515 2.710 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000791444796 1077409783 /nfs/dbraw/zinc/40/97/83/1077409783.db2.gz ZWZKIINJXRZRKS-NRFANRHFSA-N 1 1 401.551 2.641 20 0 HFADMO C[NH+]1CCN([C@@H](CNC(=S)NCCc2ccc(F)cc2)c2cccs2)CC1 ZINC000789175369 1077444338 /nfs/dbraw/zinc/44/43/38/1077444338.db2.gz SUYCZCOINSCJET-SFHVURJKSA-N 1 1 406.596 2.883 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCCC[N@H+]3CCc4ccccc4C3)C2)c1 ZINC000791509168 1077448820 /nfs/dbraw/zinc/44/88/20/1077448820.db2.gz RVBPOZZXDZGGSS-HSZRJFAPSA-N 1 1 423.513 2.761 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000789221289 1077449287 /nfs/dbraw/zinc/44/92/87/1077449287.db2.gz CGSASZZEVZJMRZ-IRXDYDNUSA-N 1 1 412.575 2.575 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000789221289 1077449288 /nfs/dbraw/zinc/44/92/88/1077449288.db2.gz CGSASZZEVZJMRZ-IRXDYDNUSA-N 1 1 412.575 2.575 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000789246552 1077470997 /nfs/dbraw/zinc/47/09/97/1077470997.db2.gz UGIRJYPQYAYNQV-ZWKOTPCHSA-N 1 1 418.538 2.847 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000789246550 1077471024 /nfs/dbraw/zinc/47/10/24/1077471024.db2.gz UGIRJYPQYAYNQV-ROUUACIJSA-N 1 1 418.538 2.847 20 0 HFADMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cccn2c(I)cnc12 ZINC000747021927 1077484024 /nfs/dbraw/zinc/48/40/24/1077484024.db2.gz APVPINKDUTUYNO-UHFFFAOYSA-N 1 1 423.258 2.606 20 0 HFADMO COC(=O)Nc1ccc(CNC(=O)CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000791621888 1077490422 /nfs/dbraw/zinc/49/04/22/1077490422.db2.gz MYOCWJSGWBHGII-OYRHEFFESA-N 1 1 422.529 2.545 20 0 HFADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)[C@@H]2CC(=O)c3ccccc32)CC1 ZINC000789299896 1077505377 /nfs/dbraw/zinc/50/53/77/1077505377.db2.gz CUQNJGIJMBXLLP-DYESRHJHSA-N 1 1 406.482 2.805 20 0 HFADMO Cc1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)sn1 ZINC001086600443 1077506937 /nfs/dbraw/zinc/50/69/37/1077506937.db2.gz UBYRPANESBPZCT-CSGHFTSRSA-N 1 1 409.555 2.959 20 0 HFADMO CCOc1nc(C)ccc1C(=O)OCC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000791652106 1077512400 /nfs/dbraw/zinc/51/24/00/1077512400.db2.gz BZJXIIOPJLIJFO-GOSISDBHSA-N 1 1 411.502 2.851 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000789364110 1077538600 /nfs/dbraw/zinc/53/86/00/1077538600.db2.gz MNFFCOAHKSPKLL-MGPUTAFESA-N 1 1 418.515 2.773 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000789364110 1077538607 /nfs/dbraw/zinc/53/86/07/1077538607.db2.gz MNFFCOAHKSPKLL-MGPUTAFESA-N 1 1 418.515 2.773 20 0 HFADMO CCOC(=O)C[NH+]1CCC(COC(=O)C2CCC(NC(=O)C(C)(C)C)CC2)CC1 ZINC000789423921 1077553572 /nfs/dbraw/zinc/55/35/72/1077553572.db2.gz WJVQDZVIHZCIJP-UHFFFAOYSA-N 1 1 410.555 2.526 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000791755052 1077553688 /nfs/dbraw/zinc/55/36/88/1077553688.db2.gz QWBUFVQMZYPHHC-QGZVFWFLSA-N 1 1 407.942 2.652 20 0 HFADMO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2CC(=O)NCCOc2ccc(F)cc2)CC1 ZINC001170105955 1077555086 /nfs/dbraw/zinc/55/50/86/1077555086.db2.gz UJGGPTYFTRKCJZ-UHFFFAOYSA-N 1 1 421.513 2.796 20 0 HFADMO CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2CC(=O)NCCOc2ccc(F)cc2)CC1 ZINC001170105955 1077555091 /nfs/dbraw/zinc/55/50/91/1077555091.db2.gz UJGGPTYFTRKCJZ-UHFFFAOYSA-N 1 1 421.513 2.796 20 0 HFADMO COc1ccc(C)cc1-n1ccc(C(=O)OCCC[NH+]2CCN(C(C)C)CC2)n1 ZINC000791796567 1077560226 /nfs/dbraw/zinc/56/02/26/1077560226.db2.gz UBMYOLRIVFUENK-UHFFFAOYSA-N 1 1 400.523 2.762 20 0 HFADMO COC(=O)Nc1cccc(NC(=O)C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000746808362 1077565976 /nfs/dbraw/zinc/56/59/76/1077565976.db2.gz SWYJOKFZWBDKMF-FQEVSTJZSA-N 1 1 424.501 2.926 20 0 HFADMO O=C(CN1C(=O)COc2ccc(Cl)cc21)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000791822492 1077567669 /nfs/dbraw/zinc/56/76/69/1077567669.db2.gz IYYDZVFNTATUHU-KRWDZBQOSA-N 1 1 413.905 2.704 20 0 HFADMO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)C1=O ZINC000789445802 1077576990 /nfs/dbraw/zinc/57/69/90/1077576990.db2.gz VXLQEJNJDTZKTE-PKTZIBPZSA-N 1 1 410.518 2.677 20 0 HFADMO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)C1=O ZINC000789445802 1077576995 /nfs/dbraw/zinc/57/69/95/1077576995.db2.gz VXLQEJNJDTZKTE-PKTZIBPZSA-N 1 1 410.518 2.677 20 0 HFADMO Cc1c(Cl)cccc1N1CCC[N@@H+](CN2C[C@H](c3cncn3C)CC2=O)CC1 ZINC000789458008 1077581929 /nfs/dbraw/zinc/58/19/29/1077581929.db2.gz SELDOXSDQPRCNY-QGZVFWFLSA-N 1 1 401.942 2.868 20 0 HFADMO Cc1c(Cl)cccc1N1CCC[N@H+](CN2C[C@H](c3cncn3C)CC2=O)CC1 ZINC000789458008 1077581935 /nfs/dbraw/zinc/58/19/35/1077581935.db2.gz SELDOXSDQPRCNY-QGZVFWFLSA-N 1 1 401.942 2.868 20 0 HFADMO Cc1nnnn1/C(=C/c1ccccc1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791938111 1077599468 /nfs/dbraw/zinc/59/94/68/1077599468.db2.gz DQSTTWTYKXMQMW-KEHSYRMBSA-N 1 1 414.513 2.570 20 0 HFADMO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O ZINC000789518732 1077612952 /nfs/dbraw/zinc/61/29/52/1077612952.db2.gz HKZJEFQYXKQWPN-SGTLLEGYSA-N 1 1 412.943 2.507 20 0 HFADMO CCNC(=O)C[C@@H]1CCCC[N@H+]1CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O ZINC000789518732 1077612953 /nfs/dbraw/zinc/61/29/53/1077612953.db2.gz HKZJEFQYXKQWPN-SGTLLEGYSA-N 1 1 412.943 2.507 20 0 HFADMO CCNC(=O)C[C@H]1CCCC[N@@H+]1CN1C[C@H](COc2cc(C)cc(C)c2)OC1=O ZINC000789521256 1077615080 /nfs/dbraw/zinc/61/50/80/1077615080.db2.gz SSWCLEQSBBDRMY-UYAOXDASSA-N 1 1 403.523 2.841 20 0 HFADMO CCNC(=O)C[C@H]1CCCC[N@H+]1CN1C[C@H](COc2cc(C)cc(C)c2)OC1=O ZINC000789521256 1077615084 /nfs/dbraw/zinc/61/50/84/1077615084.db2.gz SSWCLEQSBBDRMY-UYAOXDASSA-N 1 1 403.523 2.841 20 0 HFADMO CC(C)(C)c1ncsc1C(=O)OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000747056469 1077659313 /nfs/dbraw/zinc/65/93/13/1077659313.db2.gz HSYVMNMMMYKNJW-UHFFFAOYSA-N 1 1 423.579 2.749 20 0 HFADMO COc1cc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)ccc1NC(C)=O ZINC000792059390 1077665887 /nfs/dbraw/zinc/66/58/87/1077665887.db2.gz DZICQANWTLFJJI-UHFFFAOYSA-N 1 1 420.510 2.535 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1 ZINC000792064029 1077672186 /nfs/dbraw/zinc/67/21/86/1077672186.db2.gz RKQCXXWJUXDURS-UHFFFAOYSA-N 1 1 418.416 2.687 20 0 HFADMO C[C@]1(c2ccc(Br)cc2)CC(=O)N(C[N@H+]2CC[C@]3(C2)CCCOC3)C1=O ZINC000789563769 1077682970 /nfs/dbraw/zinc/68/29/70/1077682970.db2.gz GIKXQPDFTXORJQ-UXHICEINSA-N 1 1 421.335 2.926 20 0 HFADMO C[C@H](CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC000792077585 1077683490 /nfs/dbraw/zinc/68/34/90/1077683490.db2.gz WNGPDBWNZDOLFB-IEBWSBKVSA-N 1 1 404.555 2.763 20 0 HFADMO CN(CCNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C(=O)OC(C)(C)C ZINC000792076920 1077684394 /nfs/dbraw/zinc/68/43/94/1077684394.db2.gz SRPRLCYRELIALA-KDURUIRLSA-N 1 1 402.539 2.627 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000792035326 1077686715 /nfs/dbraw/zinc/68/67/15/1077686715.db2.gz HWXVJAIEYLBPRN-UHFFFAOYSA-N 1 1 412.534 2.995 20 0 HFADMO COCCN(Cc1cccs1)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792047550 1077692758 /nfs/dbraw/zinc/69/27/58/1077692758.db2.gz WCOJFQAMECWCPH-UHFFFAOYSA-N 1 1 411.568 2.666 20 0 HFADMO C[C@@H](CNC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)NC(=O)OC(C)(C)C ZINC000792048514 1077693256 /nfs/dbraw/zinc/69/32/56/1077693256.db2.gz WLBACSMBQHAKCT-DLBZAZTESA-N 1 1 420.554 2.620 20 0 HFADMO C[C@@H](CNC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)NC(=O)OC(C)(C)C ZINC000792048514 1077693262 /nfs/dbraw/zinc/69/32/62/1077693262.db2.gz WLBACSMBQHAKCT-DLBZAZTESA-N 1 1 420.554 2.620 20 0 HFADMO O=C(NCc1nc(Cc2ccccc2)no1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792050211 1077694085 /nfs/dbraw/zinc/69/40/85/1077694085.db2.gz UIFVFUMCKGIFPM-HXUWFJFHSA-N 1 1 405.502 2.982 20 0 HFADMO CCOCc1ccccc1CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792050106 1077694751 /nfs/dbraw/zinc/69/47/51/1077694751.db2.gz SHQJDWJYEQYCHY-UHFFFAOYSA-N 1 1 405.539 2.782 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2cc3c(cc2F)CCC(=O)N3)CC1 ZINC000792052104 1077695534 /nfs/dbraw/zinc/69/55/34/1077695534.db2.gz GSEBSTCFBFMMMW-UHFFFAOYSA-N 1 1 420.485 2.592 20 0 HFADMO CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)nc1 ZINC000792104789 1077698206 /nfs/dbraw/zinc/69/82/06/1077698206.db2.gz UUIPQXJEATWNFL-LJQANCHMSA-N 1 1 418.538 2.684 20 0 HFADMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)CC2(NC(=O)OC(C)(C)C)CCC2)C[C@H](C)O1 ZINC000746835600 1077705198 /nfs/dbraw/zinc/70/51/98/1077705198.db2.gz BSYRZWCEVWNUJP-FGTMMUONSA-N 1 1 409.571 2.924 20 0 HFADMO C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H](c2ccccc2)O1 ZINC000792086960 1077710939 /nfs/dbraw/zinc/71/09/39/1077710939.db2.gz XDKVLHDDCRFFLV-QUCCMNQESA-N 1 1 417.550 2.918 20 0 HFADMO COCC[N@H+]1CCC[C@@H](NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)C1 ZINC000792145480 1077722029 /nfs/dbraw/zinc/72/20/29/1077722029.db2.gz OCCNNBDQWUBCMF-RTBURBONSA-N 1 1 423.529 2.661 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792147522 1077722620 /nfs/dbraw/zinc/72/26/20/1077722620.db2.gz IPHOBERBCPGHFG-UHFFFAOYSA-N 1 1 404.555 2.702 20 0 HFADMO CCOc1ccc(CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1F ZINC000792146408 1077722720 /nfs/dbraw/zinc/72/27/20/1077722720.db2.gz UUUYEPQABMYCHS-UHFFFAOYSA-N 1 1 409.502 2.783 20 0 HFADMO CCOC(=O)c1cc2[nH]c(N(C(N)=[NH2+])c3ccc(N4CCOCC4)cc3)ccc-2n1 ZINC001170163261 1077722914 /nfs/dbraw/zinc/72/29/14/1077722914.db2.gz VQCFURZGJGLBFN-UHFFFAOYSA-N 1 1 408.462 2.608 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@@H]2C[C@@]23CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000792161435 1077727269 /nfs/dbraw/zinc/72/72/69/1077727269.db2.gz SVBFMKHZHBKHBU-PGRDOPGGSA-N 1 1 409.571 2.593 20 0 HFADMO COc1ccc([C@H]2CCN(C(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 ZINC000792122692 1077728503 /nfs/dbraw/zinc/72/85/03/1077728503.db2.gz WQURKKOIFKOQPO-IBGZPJMESA-N 1 1 417.550 2.954 20 0 HFADMO CN(C)C(=O)[C@H]([NH2+]Cc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)c1ccccc1 ZINC000789695713 1077732415 /nfs/dbraw/zinc/73/24/15/1077732415.db2.gz DKUASZGVVJLRTI-YKSBVNFPSA-N 1 1 420.513 2.831 20 0 HFADMO C[C@H](NCc1cnc(N2CC[NH+](C)CC2)nc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000792180698 1077736584 /nfs/dbraw/zinc/73/65/84/1077736584.db2.gz LQSCIZVUGQOJAV-AWEZNQCLSA-N 1 1 413.913 2.783 20 0 HFADMO COc1cccc(O[C@@H](C)CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792198715 1077741985 /nfs/dbraw/zinc/74/19/85/1077741985.db2.gz GGVUUAOSSMQKDJ-KRWDZBQOSA-N 1 1 421.538 2.522 20 0 HFADMO Cc1nnc(-c2cccc(NC(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)c2)o1 ZINC000792199595 1077742772 /nfs/dbraw/zinc/74/27/72/1077742772.db2.gz JGDPNVXWPVSGGL-UHFFFAOYSA-N 1 1 415.494 2.926 20 0 HFADMO COc1cccc(F)c1[C@H](C)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792201043 1077744032 /nfs/dbraw/zinc/74/40/32/1077744032.db2.gz REMPUHUMZDYMCY-HNNXBMFYSA-N 1 1 409.502 2.954 20 0 HFADMO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792202505 1077744373 /nfs/dbraw/zinc/74/43/73/1077744373.db2.gz LJKVHMJXGNOYOD-NVXWUHKLSA-N 1 1 403.475 2.652 20 0 HFADMO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792202505 1077744378 /nfs/dbraw/zinc/74/43/78/1077744378.db2.gz LJKVHMJXGNOYOD-NVXWUHKLSA-N 1 1 403.475 2.652 20 0 HFADMO Cc1cccc2oc(CCNC(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)nc21 ZINC000792207029 1077746489 /nfs/dbraw/zinc/74/64/89/1077746489.db2.gz PFZGAJAFROPEQX-UHFFFAOYSA-N 1 1 416.522 2.738 20 0 HFADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000746850003 1077747433 /nfs/dbraw/zinc/74/74/33/1077747433.db2.gz YKWKTCLVHOGCOC-UXWSSTJHSA-N 1 1 405.564 2.935 20 0 HFADMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000792227114 1077752594 /nfs/dbraw/zinc/75/25/94/1077752594.db2.gz VKCJBDLQBOSNKI-IRLDBZIGSA-N 1 1 401.551 2.878 20 0 HFADMO Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000792228083 1077753016 /nfs/dbraw/zinc/75/30/16/1077753016.db2.gz RATFGAVSSCUIBM-KSEOMHKRSA-N 1 1 411.550 2.540 20 0 HFADMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCN(c2ncccc2F)CC1 ZINC000792229803 1077753305 /nfs/dbraw/zinc/75/33/05/1077753305.db2.gz KVGBKBUSGXPVLN-FQEVSTJZSA-N 1 1 411.525 2.965 20 0 HFADMO CN1CCCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(F)cc21 ZINC000792209794 1077765130 /nfs/dbraw/zinc/76/51/30/1077765130.db2.gz VKNFAFFAWAQLOL-UHFFFAOYSA-N 1 1 420.529 2.941 20 0 HFADMO CC(=O)N(C)c1cccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792210143 1077765821 /nfs/dbraw/zinc/76/58/21/1077765821.db2.gz ZREWSRQKFZMJML-UHFFFAOYSA-N 1 1 404.511 2.551 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CC(Cc3ccc(F)c(F)c3)C2)CC1 ZINC000792212564 1077767146 /nfs/dbraw/zinc/76/71/46/1077767146.db2.gz RGFNDQNCOLAWMP-UHFFFAOYSA-N 1 1 423.504 2.909 20 0 HFADMO COc1cc(OC)c(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1F ZINC000792217066 1077771409 /nfs/dbraw/zinc/77/14/09/1077771409.db2.gz BMPPAAFNEOXMOD-UHFFFAOYSA-N 1 1 411.474 2.724 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCc2ccc(OC(C)(C)C)nc2)CC1 ZINC000792304071 1077796838 /nfs/dbraw/zinc/79/68/38/1077796838.db2.gz UPMNUTUSWZCJON-UHFFFAOYSA-N 1 1 420.554 2.818 20 0 HFADMO CCc1noc(CC)c1CC(=O)OCC[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000789792532 1077797990 /nfs/dbraw/zinc/79/79/90/1077797990.db2.gz TYPWWUIUPHMTIZ-UHFFFAOYSA-N 1 1 409.527 2.828 20 0 HFADMO CCc1noc(CC)c1CC(=O)OCC[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000789792532 1077797995 /nfs/dbraw/zinc/79/79/95/1077797995.db2.gz TYPWWUIUPHMTIZ-UHFFFAOYSA-N 1 1 409.527 2.828 20 0 HFADMO C[C@H]1C[C@H](c2cccnc2)N(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792317088 1077804114 /nfs/dbraw/zinc/80/41/14/1077804114.db2.gz FIJPPBWRVNFLEB-PKOBYXMFSA-N 1 1 402.539 2.934 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000789807165 1077807135 /nfs/dbraw/zinc/80/71/35/1077807135.db2.gz GCPSXZZAJARCFO-OAHLLOKOSA-N 1 1 422.485 2.747 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000789807165 1077807141 /nfs/dbraw/zinc/80/71/41/1077807141.db2.gz GCPSXZZAJARCFO-OAHLLOKOSA-N 1 1 422.485 2.747 20 0 HFADMO CC(C)[N@@H+]1CCO[C@@H](COC(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)C1 ZINC000789774863 1077809049 /nfs/dbraw/zinc/80/90/49/1077809049.db2.gz UWVISGJEGLWRCT-OAHLLOKOSA-N 1 1 404.488 2.847 20 0 HFADMO CC(C)[N@H+]1CCO[C@@H](COC(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)C1 ZINC000789774863 1077809056 /nfs/dbraw/zinc/80/90/56/1077809056.db2.gz UWVISGJEGLWRCT-OAHLLOKOSA-N 1 1 404.488 2.847 20 0 HFADMO CCn1cc([C@H](O)C[N@H+](CC(=O)NC(=O)Nc2ccccc2)Cc2ccccc2)cn1 ZINC000792365742 1077817220 /nfs/dbraw/zinc/81/72/20/1077817220.db2.gz PPNKLEIARJGQCK-OAQYLSRUSA-N 1 1 421.501 2.787 20 0 HFADMO CCn1cc([C@H](O)C[N@@H+](CC(=O)NC(=O)Nc2ccccc2)Cc2ccccc2)cn1 ZINC000792365742 1077817227 /nfs/dbraw/zinc/81/72/27/1077817227.db2.gz PPNKLEIARJGQCK-OAQYLSRUSA-N 1 1 421.501 2.787 20 0 HFADMO CCCOC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000792366352 1077817840 /nfs/dbraw/zinc/81/78/40/1077817840.db2.gz IFMYMJGYPYTEPB-LJQANCHMSA-N 1 1 423.513 2.830 20 0 HFADMO CCn1cc([C@H](O)C[N@@H+](Cc2ccccc2)[C@H]2CCN(CC(F)(F)F)C2=O)cn1 ZINC000792376851 1077828147 /nfs/dbraw/zinc/82/81/47/1077828147.db2.gz ONRUBEMNUWWZEC-ZWKOTPCHSA-N 1 1 410.440 2.602 20 0 HFADMO CCc1ccc([C@H]2CN(C(=O)C(=O)Nc3ccc(-n4cc[nH+]c4C)nc3)CCO2)cc1 ZINC000792346368 1077828888 /nfs/dbraw/zinc/82/88/88/1077828888.db2.gz KKDIVCDYOUTSAU-HXUWFJFHSA-N 1 1 419.485 2.677 20 0 HFADMO COC(=O)c1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc1 ZINC000792386862 1077829873 /nfs/dbraw/zinc/82/98/73/1077829873.db2.gz WBKJFBKNUGZFKZ-OAHLLOKOSA-N 1 1 415.465 2.555 20 0 HFADMO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1nc(Cl)ncc1Br ZINC001170165851 1077835111 /nfs/dbraw/zinc/83/51/11/1077835111.db2.gz JXTHKMBCYIGXSG-UHFFFAOYSA-N 1 1 411.691 2.761 20 0 HFADMO CCOCc1ccccc1CNC(=O)C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000792378801 1077844187 /nfs/dbraw/zinc/84/41/87/1077844187.db2.gz DLYIAEUMWWLJIE-UHFFFAOYSA-N 1 1 401.482 2.917 20 0 HFADMO Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)c3nc4cccnc4s3)CC2)c1 ZINC000792381938 1077845948 /nfs/dbraw/zinc/84/59/48/1077845948.db2.gz OWUATLYUNXFIBG-UHFFFAOYSA-N 1 1 410.499 2.501 20 0 HFADMO Cc1cccc(C)c1OCCNC(=O)C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000792384589 1077848255 /nfs/dbraw/zinc/84/82/55/1077848255.db2.gz HGPQUDVVVIUATK-UHFFFAOYSA-N 1 1 401.482 2.876 20 0 HFADMO CC(C)n1ncc2cc(C=CC(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)c(=O)[nH]c21 ZINC000792495675 1077867446 /nfs/dbraw/zinc/86/74/46/1077867446.db2.gz NSIJWJROKCEROY-CSHXORCISA-N 1 1 419.529 2.957 20 0 HFADMO CC(C)(C)C[C@H]1CCC[N@@H+]1Cn1nc(CCC(N)=O)n(C[C@H]2CCCO2)c1=S ZINC000747076094 1077869496 /nfs/dbraw/zinc/86/94/96/1077869496.db2.gz LBOHMEKIKZLNPX-HZPDHXFCSA-N 1 1 409.600 2.869 20 0 HFADMO CC(C)(C)C[C@H]1CCC[N@H+]1Cn1nc(CCC(N)=O)n(C[C@H]2CCCO2)c1=S ZINC000747076094 1077869502 /nfs/dbraw/zinc/86/95/02/1077869502.db2.gz LBOHMEKIKZLNPX-HZPDHXFCSA-N 1 1 409.600 2.869 20 0 HFADMO C[C@H](CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)NC(=O)OC(C)(C)C ZINC000792512337 1077881192 /nfs/dbraw/zinc/88/11/92/1077881192.db2.gz MTKDDRVQONDGKI-ZACQAIPSSA-N 1 1 405.539 2.939 20 0 HFADMO C[C@H](CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)NC(=O)OC(C)(C)C ZINC000792512337 1077881205 /nfs/dbraw/zinc/88/12/05/1077881205.db2.gz MTKDDRVQONDGKI-ZACQAIPSSA-N 1 1 405.539 2.939 20 0 HFADMO COc1ccc(C[NH+]2CCN(C)CC2)cc1NCc1ccnc(-c2cnn(C)c2)c1 ZINC001170124638 1077881673 /nfs/dbraw/zinc/88/16/73/1077881673.db2.gz AMCKYPKWESFLDR-UHFFFAOYSA-N 1 1 406.534 2.850 20 0 HFADMO CCOC(CC(=O)N(C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1)OCC ZINC000789974567 1077902643 /nfs/dbraw/zinc/90/26/43/1077902643.db2.gz JXTPYLFBBUAPDQ-UHFFFAOYSA-N 1 1 407.555 2.919 20 0 HFADMO Cc1ccc(NC(=O)NC(=O)C[N@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)cc1C ZINC001170216591 1077909498 /nfs/dbraw/zinc/90/94/98/1077909498.db2.gz NIHSYWQDFZAXDP-HSZRJFAPSA-N 1 1 411.502 2.605 20 0 HFADMO Cc1ccc(NC(=O)NC(=O)C[N@@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)cc1C ZINC001170216591 1077909499 /nfs/dbraw/zinc/90/94/99/1077909499.db2.gz NIHSYWQDFZAXDP-HSZRJFAPSA-N 1 1 411.502 2.605 20 0 HFADMO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC001170218014 1077909980 /nfs/dbraw/zinc/90/99/80/1077909980.db2.gz SIFONADMUYAXGT-GGAORHGYSA-N 1 1 415.578 2.936 20 0 HFADMO CCOc1ccc([C@@H]2CCCN2C(=O)CN2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC001170218014 1077909982 /nfs/dbraw/zinc/90/99/82/1077909982.db2.gz SIFONADMUYAXGT-GGAORHGYSA-N 1 1 415.578 2.936 20 0 HFADMO C[C@](CO)([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccc(Br)cc1 ZINC001170204221 1077913172 /nfs/dbraw/zinc/91/31/72/1077913172.db2.gz ACDIWCVFESVIFT-GOSISDBHSA-N 1 1 412.349 2.861 20 0 HFADMO CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000792577343 1077914618 /nfs/dbraw/zinc/91/46/18/1077914618.db2.gz FPOVVHJUEYNYEU-ZCNNSNEGSA-N 1 1 411.546 2.834 20 0 HFADMO CC[C@H]1C[C@H]([N@H+]2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CC)[C@H]3CC2)CCO1 ZINC001170222224 1077916585 /nfs/dbraw/zinc/91/65/85/1077916585.db2.gz PVAOFSSKRIPRIR-XWSJACJDSA-N 1 1 408.564 2.880 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@@H+]1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@H]21 ZINC001170274939 1077926216 /nfs/dbraw/zinc/92/62/16/1077926216.db2.gz SZZKIQYKFDEGCE-UAMLPYHUSA-N 1 1 414.937 2.970 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@H+]1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@H]21 ZINC001170274939 1077926218 /nfs/dbraw/zinc/92/62/18/1077926218.db2.gz SZZKIQYKFDEGCE-UAMLPYHUSA-N 1 1 414.937 2.970 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@H+]1CCc2ccc(=O)n(CC(=O)N(C)C)c2CC1 ZINC001170280955 1077936537 /nfs/dbraw/zinc/93/65/37/1077936537.db2.gz CBTGOWOZPJOLJA-MRXNPFEDSA-N 1 1 401.938 2.622 20 0 HFADMO C[C@@H]1CN(Cc2ccccc2)CC[N@@H+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001170333632 1077945838 /nfs/dbraw/zinc/94/58/38/1077945838.db2.gz QTDAQNQMRGOPNZ-AUSIDOKSSA-N 1 1 403.567 2.812 20 0 HFADMO C[C@H]1CN(C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001170333632 1077945839 /nfs/dbraw/zinc/94/58/39/1077945839.db2.gz QTDAQNQMRGOPNZ-AUSIDOKSSA-N 1 1 403.567 2.812 20 0 HFADMO C[C@H]1CN(C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001170333632 1077945841 /nfs/dbraw/zinc/94/58/41/1077945841.db2.gz QTDAQNQMRGOPNZ-AUSIDOKSSA-N 1 1 403.567 2.812 20 0 HFADMO C[C@H]1CN(Cc2ccccc2)CC[N@@H+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001170333731 1077945864 /nfs/dbraw/zinc/94/58/64/1077945864.db2.gz QTDAQNQMRGOPNZ-WMZHIEFXSA-N 1 1 403.567 2.812 20 0 HFADMO C[C@@H]1CN(C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001170333731 1077945866 /nfs/dbraw/zinc/94/58/66/1077945866.db2.gz QTDAQNQMRGOPNZ-WMZHIEFXSA-N 1 1 403.567 2.812 20 0 HFADMO C[C@@H]1CN(C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001170333731 1077945869 /nfs/dbraw/zinc/94/58/69/1077945869.db2.gz QTDAQNQMRGOPNZ-WMZHIEFXSA-N 1 1 403.567 2.812 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000790129737 1077951403 /nfs/dbraw/zinc/95/14/03/1077951403.db2.gz ZLBNEKOGVSDURC-UHFFFAOYSA-N 1 1 405.539 2.894 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000790129737 1077951405 /nfs/dbraw/zinc/95/14/05/1077951405.db2.gz ZLBNEKOGVSDURC-UHFFFAOYSA-N 1 1 405.539 2.894 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)C[C@H](C)O1 ZINC000790129152 1077951593 /nfs/dbraw/zinc/95/15/93/1077951593.db2.gz YEAJPAIYZDBWJR-HDICACEKSA-N 1 1 405.539 2.996 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)C[C@H](C)O1 ZINC000790129152 1077951595 /nfs/dbraw/zinc/95/15/95/1077951595.db2.gz YEAJPAIYZDBWJR-HDICACEKSA-N 1 1 405.539 2.996 20 0 HFADMO COc1ccc(C[N@H+]2CCCN(C(=O)CN3CCc4cccc(OC)c4C3)CC2)cc1 ZINC001170343109 1077953901 /nfs/dbraw/zinc/95/39/01/1077953901.db2.gz WTTDETMDALTRNA-UHFFFAOYSA-N 1 1 423.557 2.796 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)C[C@H](C)O1 ZINC000790124695 1077958921 /nfs/dbraw/zinc/95/89/21/1077958921.db2.gz BNNQRGKMYKKLQN-OKILXGFUSA-N 1 1 417.428 2.979 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)C[C@H](C)O1 ZINC000790124695 1077958922 /nfs/dbraw/zinc/95/89/22/1077958922.db2.gz BNNQRGKMYKKLQN-OKILXGFUSA-N 1 1 417.428 2.979 20 0 HFADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)CCOc3ccc(C=O)cc3)n2)c1C ZINC000790160348 1077962498 /nfs/dbraw/zinc/96/24/98/1077962498.db2.gz BZWGDJSPKQGEQD-UHFFFAOYSA-N 1 1 409.446 2.567 20 0 HFADMO CCOc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1OC ZINC001170412695 1077967123 /nfs/dbraw/zinc/96/71/23/1077967123.db2.gz SWICTAGDCCOLNQ-SJORKVTESA-N 1 1 419.566 2.885 20 0 HFADMO Cc1cc(=O)oc2cc(OCC(=O)N3CCC[C@@H]3C[NH+]3C[C@H](C)O[C@@H](C)C3)ccc12 ZINC000746886457 1077968779 /nfs/dbraw/zinc/96/87/79/1077968779.db2.gz NINUEOJYWQEBMV-OKZBNKHCSA-N 1 1 414.502 2.580 20 0 HFADMO C[C@@H]1CSCC[N@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000792719767 1077974056 /nfs/dbraw/zinc/97/40/56/1077974056.db2.gz JJQOEJYBURPMMW-YVEFUNNKSA-N 1 1 412.353 2.859 20 0 HFADMO C[C@@H]1CSCC[N@@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000792719767 1077974061 /nfs/dbraw/zinc/97/40/61/1077974061.db2.gz JJQOEJYBURPMMW-YVEFUNNKSA-N 1 1 412.353 2.859 20 0 HFADMO CCC[N@H+]1CC[C@@H](CNC(=O)N(Cc2ccccc2)C[C@H](O)c2cnn(CC)c2)C1 ZINC000790241287 1077974890 /nfs/dbraw/zinc/97/48/90/1077974890.db2.gz QVBFVRYWKLOPRX-UNMCSNQZSA-N 1 1 413.566 2.880 20 0 HFADMO C[C@@H](C(=O)NN1C(=O)NC2(CCCCC2)C1=O)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000790242711 1077975179 /nfs/dbraw/zinc/97/51/79/1077975179.db2.gz ONCYBDOGVSNBHM-KRWDZBQOSA-N 1 1 412.534 2.616 20 0 HFADMO C[C@H](SCCN1C[C@H]2CC[C@@H](C1)O2)[C@H](C)SCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000790283697 1077984484 /nfs/dbraw/zinc/98/44/84/1077984484.db2.gz RWHCXCFEAZXYDB-YDRVBMSGSA-N 1 1 400.654 2.956 20 0 HFADMO C[C@H](SCCN1C[C@H]2CC[C@@H](C1)O2)[C@H](C)SCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000790283697 1077984487 /nfs/dbraw/zinc/98/44/87/1077984487.db2.gz RWHCXCFEAZXYDB-YDRVBMSGSA-N 1 1 400.654 2.956 20 0 HFADMO COc1ccc(CC[N@@H+](CC(C)C)[C@@H]2CCN(C3CCOCC3)C2=O)cc1OC ZINC000790291180 1077987443 /nfs/dbraw/zinc/98/74/43/1077987443.db2.gz SPBXIXAYSSSPMR-HXUWFJFHSA-N 1 1 404.551 2.984 20 0 HFADMO O=S(=O)(C[C@@H]1CCCOC1)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000792765547 1077988288 /nfs/dbraw/zinc/98/82/88/1077988288.db2.gz QBDFFIWUECBFCQ-WBVHZDCISA-N 1 1 406.470 2.626 20 0 HFADMO O=S(=O)(C[C@@H]1CCCOC1)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000792765547 1077988290 /nfs/dbraw/zinc/98/82/90/1077988290.db2.gz QBDFFIWUECBFCQ-WBVHZDCISA-N 1 1 406.470 2.626 20 0 HFADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792789297 1077991878 /nfs/dbraw/zinc/99/18/78/1077991878.db2.gz WSZJCXZOWHLXOQ-LJQANCHMSA-N 1 1 424.586 2.600 20 0 HFADMO CCC[N@@H+]([C@H]1CCN(C2CCOCC2)C1=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000790313749 1077994572 /nfs/dbraw/zinc/99/45/72/1077994572.db2.gz CRFTYWMTUIVBDY-QFIPXVFZSA-N 1 1 413.562 2.783 20 0 HFADMO CC(C)(C)C[C@@H]1CCC[N@H+]1CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000747086878 1077997365 /nfs/dbraw/zinc/99/73/65/1077997365.db2.gz IHOHBBDGUVZLSP-MBSDFSHPSA-N 1 1 414.550 2.862 20 0 HFADMO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1nnnn1C1CC1 ZINC000790358042 1078003343 /nfs/dbraw/zinc/00/33/43/1078003343.db2.gz GQKLNMOZCLSYEE-IUODEOHRSA-N 1 1 423.443 2.662 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2ccc(OC(F)F)c(F)c2)cn1 ZINC000790363477 1078005337 /nfs/dbraw/zinc/00/53/37/1078005337.db2.gz BAYMGGSYXGYVBN-UHFFFAOYSA-N 1 1 412.393 2.795 20 0 HFADMO COc1ncc(C(=O)OCC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1Cl ZINC000792855862 1078009434 /nfs/dbraw/zinc/00/94/34/1078009434.db2.gz ACLTYIWHUKECKS-HNNXBMFYSA-N 1 1 417.893 2.806 20 0 HFADMO C[C@]1(NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000792858898 1078010137 /nfs/dbraw/zinc/01/01/37/1078010137.db2.gz MWFXEXUVVQPOKU-AVRDEDQJSA-N 1 1 400.523 2.571 20 0 HFADMO CC(C)(C)OC(=O)N(CC1CC1)C1CC[NH+](C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000792871821 1078012230 /nfs/dbraw/zinc/01/22/30/1078012230.db2.gz MPBQEOIGPJJOJR-QGZVFWFLSA-N 1 1 400.585 2.923 20 0 HFADMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000792848041 1078014090 /nfs/dbraw/zinc/01/40/90/1078014090.db2.gz LBCJDKQLACNCIT-QMMLZNLJSA-N 1 1 424.545 2.959 20 0 HFADMO Fc1cc(F)c(N2CCN(C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)nc1F ZINC000792880296 1078016262 /nfs/dbraw/zinc/01/62/62/1078016262.db2.gz CUYMUWGVQJAGCL-SFHVURJKSA-N 1 1 420.479 2.912 20 0 HFADMO O=S1(=O)CCC[C@@H](C[NH+]2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)C1 ZINC000792881255 1078016440 /nfs/dbraw/zinc/01/64/40/1078016440.db2.gz YSSWAZXKARRFDH-AWEZNQCLSA-N 1 1 407.454 2.693 20 0 HFADMO Cc1c(Cl)cccc1N1CCC[N@H+](CC(=O)NC2CCC3(CC2)OCCO3)CC1 ZINC000792889577 1078017413 /nfs/dbraw/zinc/01/74/13/1078017413.db2.gz OVJVRCVIUKKZDM-UHFFFAOYSA-N 1 1 421.969 2.962 20 0 HFADMO Cc1c(Cl)cccc1N1CCC[N@@H+](CC(=O)NC2CCC3(CC2)OCCO3)CC1 ZINC000792889577 1078017418 /nfs/dbraw/zinc/01/74/18/1078017418.db2.gz OVJVRCVIUKKZDM-UHFFFAOYSA-N 1 1 421.969 2.962 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000790373750 1078017765 /nfs/dbraw/zinc/01/77/65/1078017765.db2.gz ZGMQDTWZBNQDIV-UHFFFAOYSA-N 1 1 412.393 2.795 20 0 HFADMO Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@@H+]3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)n12 ZINC000792906825 1078020609 /nfs/dbraw/zinc/02/06/09/1078020609.db2.gz SKKKCXYOQXUBNS-KDOFPFPSSA-N 1 1 406.317 2.905 20 0 HFADMO Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@H+]3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)n12 ZINC000792906825 1078020615 /nfs/dbraw/zinc/02/06/15/1078020615.db2.gz SKKKCXYOQXUBNS-KDOFPFPSSA-N 1 1 406.317 2.905 20 0 HFADMO COc1ccc(CCNC(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1OC ZINC000792905786 1078020638 /nfs/dbraw/zinc/02/06/38/1078020638.db2.gz NMXNIKYKKFOWLM-FUHWJXTLSA-N 1 1 401.334 2.878 20 0 HFADMO COc1ccc(CCNC(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1OC ZINC000792905786 1078020644 /nfs/dbraw/zinc/02/06/44/1078020644.db2.gz NMXNIKYKKFOWLM-FUHWJXTLSA-N 1 1 401.334 2.878 20 0 HFADMO CC(C)CNC(=O)c1ccccc1NC(=O)CN1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000792938749 1078022003 /nfs/dbraw/zinc/02/20/03/1078022003.db2.gz CPYIDESXELQEID-OAQYLSRUSA-N 1 1 422.573 2.870 20 0 HFADMO CC[N@@H+](CCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)C1CC1 ZINC000792911043 1078023641 /nfs/dbraw/zinc/02/36/41/1078023641.db2.gz GFMMVROMNBEFFB-IBGZPJMESA-N 1 1 402.539 2.819 20 0 HFADMO COc1cc(CNC(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc(OC)c1OC ZINC000792913967 1078024563 /nfs/dbraw/zinc/02/45/63/1078024563.db2.gz WATRDBZXSQEIOT-QAPCUYQASA-N 1 1 417.333 2.844 20 0 HFADMO COc1cc(CNC(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc(OC)c1OC ZINC000792913967 1078024567 /nfs/dbraw/zinc/02/45/67/1078024567.db2.gz WATRDBZXSQEIOT-QAPCUYQASA-N 1 1 417.333 2.844 20 0 HFADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)COCCc2ccccc2)CC1 ZINC000746912111 1078024827 /nfs/dbraw/zinc/02/48/27/1078024827.db2.gz CBJGTGINBPERME-HXUWFJFHSA-N 1 1 410.514 2.694 20 0 HFADMO COc1cccc([C@@H](C)[NH+]2CCN(C[C@H](O)CCNC(=O)OC(C)(C)C)CC2)c1 ZINC000792971986 1078029950 /nfs/dbraw/zinc/02/99/50/1078029950.db2.gz DZCCDPHSKMVSKH-IEBWSBKVSA-N 1 1 407.555 2.650 20 0 HFADMO C[C@@H](O)C[C@H]1CCCC[N@H+]1CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 ZINC000790438856 1078031366 /nfs/dbraw/zinc/03/13/66/1078031366.db2.gz NUHOZYPZXNTOEQ-QZTJIDSGSA-N 1 1 413.518 2.798 20 0 HFADMO COC(=O)Nc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000747093853 1078033150 /nfs/dbraw/zinc/03/31/50/1078033150.db2.gz BFOPAHPARJZINV-YLJYHZDGSA-N 1 1 412.490 2.869 20 0 HFADMO COC(=O)c1c2cnn(CN3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)c2ccc1Br ZINC000790443658 1078033494 /nfs/dbraw/zinc/03/34/94/1078033494.db2.gz ZYSKRBMLKFATML-CJNGLKHVSA-N 1 1 421.339 2.959 20 0 HFADMO COC(=O)c1c2cnn(CN3CCC[N@H+](C(C)C)CC3)c2ccc1Br ZINC000790447962 1078034461 /nfs/dbraw/zinc/03/44/61/1078034461.db2.gz YCTRKHHIISQGHR-UHFFFAOYSA-N 1 1 409.328 2.959 20 0 HFADMO COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1cccc(F)n1)[NH+]1CCCCC1 ZINC000792965410 1078037381 /nfs/dbraw/zinc/03/73/81/1078037381.db2.gz QUHFYQPXFWOMDE-MRXNPFEDSA-N 1 1 400.454 2.511 20 0 HFADMO CC(C)[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)c2nnnn2C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000790458242 1078037433 /nfs/dbraw/zinc/03/74/33/1078037433.db2.gz HBHPZMMOLRRIQW-RZAIGCCYSA-N 1 1 419.480 2.870 20 0 HFADMO CC(C)[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)c2nnnn2C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000790458242 1078037439 /nfs/dbraw/zinc/03/74/39/1078037439.db2.gz HBHPZMMOLRRIQW-RZAIGCCYSA-N 1 1 419.480 2.870 20 0 HFADMO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NCc1c[nH+]c2n1CCCC2 ZINC000790460012 1078038219 /nfs/dbraw/zinc/03/82/19/1078038219.db2.gz NNGGMWGYPJLPPG-UHFFFAOYSA-N 1 1 406.895 2.908 20 0 HFADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792982680 1078039998 /nfs/dbraw/zinc/03/99/98/1078039998.db2.gz FZWXEHVSRHWNSE-CABCVRRESA-N 1 1 423.355 2.896 20 0 HFADMO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)CC[N@H+]1C ZINC000792985036 1078040931 /nfs/dbraw/zinc/04/09/31/1078040931.db2.gz JBIDLOTVEHBOES-RLLQIKCJSA-N 1 1 402.539 2.817 20 0 HFADMO C[C@H](CNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000792990240 1078042259 /nfs/dbraw/zinc/04/22/59/1078042259.db2.gz SINGTOFAVZOKLW-IEBWSBKVSA-N 1 1 402.539 2.817 20 0 HFADMO Cc1ccc(N2CCN(C(=O)Nc3ccc(CC[NH+]4CCOCC4)cc3)CC2=O)cc1 ZINC000806224626 1079508229 /nfs/dbraw/zinc/50/82/29/1079508229.db2.gz NTOYFOSNSYRCFZ-UHFFFAOYSA-N 1 1 422.529 2.750 20 0 HFADMO O=C(COC(=O)CCc1cccc(Cl)c1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000806231141 1079510904 /nfs/dbraw/zinc/51/09/04/1079510904.db2.gz GITPEYKMRQNOIW-UHFFFAOYSA-N 1 1 422.953 2.967 20 0 HFADMO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N[C@H]1C[N@@H+](Cc3ccccc3)C[C@H]1C)CCC2 ZINC000806303677 1079556375 /nfs/dbraw/zinc/55/63/75/1079556375.db2.gz QGLFVRVJUSYJLV-QMMLZNLJSA-N 1 1 423.561 2.594 20 0 HFADMO CCc1ccc([C@@H](O)CNC(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000806309014 1079561301 /nfs/dbraw/zinc/56/13/01/1079561301.db2.gz LRUUNQRTXBUARC-UXHICEINSA-N 1 1 416.591 2.632 20 0 HFADMO Cc1ccc(C(=O)N2[C@H](C)C[N@@H+](C)[C@H](C)[C@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC001130586772 1079562566 /nfs/dbraw/zinc/56/25/66/1079562566.db2.gz UNHXACYWRRJZGA-KZNAEPCWSA-N 1 1 407.580 2.723 20 0 HFADMO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(=O)N1CCC(F)(F)CC1 ZINC000806312526 1079566445 /nfs/dbraw/zinc/56/64/45/1079566445.db2.gz VTCRVDSXQJOKDE-OAHLLOKOSA-N 1 1 419.394 2.654 20 0 HFADMO O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(=O)N1CCC(F)(F)CC1 ZINC000806312526 1079566450 /nfs/dbraw/zinc/56/64/50/1079566450.db2.gz VTCRVDSXQJOKDE-OAHLLOKOSA-N 1 1 419.394 2.654 20 0 HFADMO CCCCC[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(C)(C)C ZINC000806321256 1079591756 /nfs/dbraw/zinc/59/17/56/1079591756.db2.gz SKUXKMQTQWIINT-PMACEKPBSA-N 1 1 408.631 2.725 20 0 HFADMO CCCCC[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C(C)(C)C ZINC000806321256 1079591763 /nfs/dbraw/zinc/59/17/63/1079591763.db2.gz SKUXKMQTQWIINT-PMACEKPBSA-N 1 1 408.631 2.725 20 0 HFADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000747324673 1079592911 /nfs/dbraw/zinc/59/29/11/1079592911.db2.gz CXMDKHVGQSFAGC-PMACEKPBSA-N 1 1 403.486 2.527 20 0 HFADMO Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)c12 ZINC000747325554 1079598317 /nfs/dbraw/zinc/59/83/17/1079598317.db2.gz NBYZBFJHEGISPU-CABCVRRESA-N 1 1 411.531 2.598 20 0 HFADMO C[C@]1(NC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001130609920 1079629378 /nfs/dbraw/zinc/62/93/78/1079629378.db2.gz NMMXSOBWVOTTMY-URXFXBBRSA-N 1 1 406.530 2.715 20 0 HFADMO C[C@]1(NC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001130609918 1079629384 /nfs/dbraw/zinc/62/93/84/1079629384.db2.gz NMMXSOBWVOTTMY-QPPBQGQZSA-N 1 1 406.530 2.715 20 0 HFADMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000806423748 1079668510 /nfs/dbraw/zinc/66/85/10/1079668510.db2.gz CZAXKPORRNPLHE-SFTDATJTSA-N 1 1 411.933 2.704 20 0 HFADMO Cn1ncc(NC(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1C1CC1 ZINC000806428426 1079674661 /nfs/dbraw/zinc/67/46/61/1079674661.db2.gz HAXBNPJUFRDYMX-HXUWFJFHSA-N 1 1 408.550 2.722 20 0 HFADMO C[C@@H](CNC(=O)N1CCCC[C@H]1COC(=O)N(C)C)[N@H+]1CCc2ccccc2C1 ZINC000806434952 1079681375 /nfs/dbraw/zinc/68/13/75/1079681375.db2.gz ZDEMMFXZRLWCPN-PXNSSMCTSA-N 1 1 402.539 2.696 20 0 HFADMO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000806394410 1079684442 /nfs/dbraw/zinc/68/44/42/1079684442.db2.gz NAHYPUOEIDMODK-FQEVSTJZSA-N 1 1 402.539 2.743 20 0 HFADMO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccon2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000806397208 1079685377 /nfs/dbraw/zinc/68/53/77/1079685377.db2.gz WRZPSJOJXXEICX-IAGOWNOFSA-N 1 1 422.888 2.814 20 0 HFADMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccon2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000806397208 1079685380 /nfs/dbraw/zinc/68/53/80/1079685380.db2.gz WRZPSJOJXXEICX-IAGOWNOFSA-N 1 1 422.888 2.814 20 0 HFADMO C[C@H](NC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000806473419 1079703233 /nfs/dbraw/zinc/70/32/33/1079703233.db2.gz QFJKOXJUPJHYSY-INIZCTEOSA-N 1 1 416.547 2.645 20 0 HFADMO Cc1cccc(C)c1CCNC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000806447611 1079718756 /nfs/dbraw/zinc/71/87/56/1079718756.db2.gz VMTWJIZULBNTFH-VWLOTQADSA-N 1 1 407.558 2.991 20 0 HFADMO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000806505907 1079756737 /nfs/dbraw/zinc/75/67/37/1079756737.db2.gz CCMIPNDYKPCTRV-SFHVURJKSA-N 1 1 414.510 2.776 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000806509384 1079758869 /nfs/dbraw/zinc/75/88/69/1079758869.db2.gz OECNUYUYXXOYID-KRWDZBQOSA-N 1 1 408.568 2.759 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000806509384 1079758873 /nfs/dbraw/zinc/75/88/73/1079758873.db2.gz OECNUYUYXXOYID-KRWDZBQOSA-N 1 1 408.568 2.759 20 0 HFADMO C[C@@H]1[C@H](NC(=O)NCCS(=O)(=O)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000806538261 1079810127 /nfs/dbraw/zinc/81/01/27/1079810127.db2.gz BEAQPZLWFSTYBL-WIYYLYMNSA-N 1 1 415.559 2.564 20 0 HFADMO C[C@@H]1[C@H](NC(=O)NCCS(=O)(=O)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000806538261 1079810139 /nfs/dbraw/zinc/81/01/39/1079810139.db2.gz BEAQPZLWFSTYBL-WIYYLYMNSA-N 1 1 415.559 2.564 20 0 HFADMO COC(=O)[C@@H]1CO[C@H](CCC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)C1 ZINC001130673272 1079824322 /nfs/dbraw/zinc/82/43/22/1079824322.db2.gz SORSZRWNRJGDLW-OAGDOXAWSA-N 1 1 402.535 2.855 20 0 HFADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc(Cl)nc2)C1 ZINC000806594854 1079837932 /nfs/dbraw/zinc/83/79/32/1079837932.db2.gz STCHNYZGOOJIHT-AEFFLSMTSA-N 1 1 406.958 2.507 20 0 HFADMO C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCCc2ccc(Cl)nc2)[C@@H]1c1cccs1 ZINC000806596509 1079837962 /nfs/dbraw/zinc/83/79/62/1079837962.db2.gz YHZUNNGFJISILQ-MAUKXSAKSA-N 1 1 420.966 2.655 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCCc1ccc(Cl)nc1 ZINC000806604458 1079845554 /nfs/dbraw/zinc/84/55/54/1079845554.db2.gz YFMLQTJKOGKSCP-DLBZAZTESA-N 1 1 414.937 2.515 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCCc1ccc(Cl)nc1 ZINC000806604458 1079845563 /nfs/dbraw/zinc/84/55/63/1079845563.db2.gz YFMLQTJKOGKSCP-DLBZAZTESA-N 1 1 414.937 2.515 20 0 HFADMO C[C@H](O)c1ccc(CNC(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000806653165 1079871265 /nfs/dbraw/zinc/87/12/65/1079871265.db2.gz WVJBFKMGRHOZOG-GBXCKJPGSA-N 1 1 422.573 2.842 20 0 HFADMO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000747341879 1079875477 /nfs/dbraw/zinc/87/54/77/1079875477.db2.gz INNACQQYFUUEQX-IRXDYDNUSA-N 1 1 406.889 2.625 20 0 HFADMO CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000747341682 1079875893 /nfs/dbraw/zinc/87/58/93/1079875893.db2.gz HDFBJJKFOCUIGA-HOTGVXAUSA-N 1 1 409.490 2.865 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000747343189 1079906243 /nfs/dbraw/zinc/90/62/43/1079906243.db2.gz OSSYBOKNFSBPRH-IAGOWNOFSA-N 1 1 409.515 2.589 20 0 HFADMO O=C(COc1ccc2ccccc2c1Br)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747342736 1079924439 /nfs/dbraw/zinc/92/44/39/1079924439.db2.gz NWLQRKRGVRLFMC-CVEARBPZSA-N 1 1 419.319 2.961 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000806735632 1079960876 /nfs/dbraw/zinc/96/08/76/1079960876.db2.gz ATKVMCMMGFRPAS-YTFSRNRJSA-N 1 1 409.530 2.795 20 0 HFADMO COc1ccc(CNC(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000806737552 1079963498 /nfs/dbraw/zinc/96/34/98/1079963498.db2.gz QDOGAPDCMSFBRH-DEOSSOPVSA-N 1 1 409.530 2.648 20 0 HFADMO CN1CC[NH+](CCCOc2ccc(NC(=O)c3cnc4ccccc4c3O)cc2)CC1 ZINC001130742210 1080005504 /nfs/dbraw/zinc/00/55/04/1080005504.db2.gz NJFTYZILWLLTCX-UHFFFAOYSA-N 1 1 420.513 2.797 20 0 HFADMO CC(C)c1nnc(CCC(=O)Nc2ccc(OCCC[NH+]3CCN(C)CC3)cc2)o1 ZINC001130742427 1080006709 /nfs/dbraw/zinc/00/67/09/1080006709.db2.gz WZIPHZMOHXVGCY-UHFFFAOYSA-N 1 1 415.538 2.781 20 0 HFADMO COCC[N@@H+](C)CCCNC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000806799639 1080016917 /nfs/dbraw/zinc/01/69/17/1080016917.db2.gz XZPXIJBQUYPXPX-UHFFFAOYSA-N 1 1 413.238 2.953 20 0 HFADMO C[C@@H](O)C[NH+]1CCN(C(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000806804821 1080022235 /nfs/dbraw/zinc/02/22/35/1080022235.db2.gz PMBPWENLKVPOQO-MJGOQNOKSA-N 1 1 419.566 2.804 20 0 HFADMO Cc1ccc(CC(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(Cl)n1 ZINC000806821040 1080039053 /nfs/dbraw/zinc/03/90/53/1080039053.db2.gz OWUKVPPAYUUZTK-IBGZPJMESA-N 1 1 414.937 2.600 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)Nc1cnn(CC(C)C)c1C1CC1 ZINC000806860514 1080063182 /nfs/dbraw/zinc/06/31/82/1080063182.db2.gz PYEWCBXHTMUDBL-UHFFFAOYSA-N 1 1 421.505 2.561 20 0 HFADMO COc1cc(C)c(NC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2C)c(C)c1C ZINC000806860431 1080063370 /nfs/dbraw/zinc/06/33/70/1080063370.db2.gz OHDALCPZHXBIDT-UHFFFAOYSA-N 1 1 407.474 2.764 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2cccc(C(C)(C)O)c2)cc1F ZINC000806865069 1080066754 /nfs/dbraw/zinc/06/67/54/1080066754.db2.gz ZLCMEYJTMBIJDF-UHFFFAOYSA-N 1 1 410.449 2.802 20 0 HFADMO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000806910646 1080116617 /nfs/dbraw/zinc/11/66/17/1080116617.db2.gz ARJCXQUDLSQNMF-LJQANCHMSA-N 1 1 408.518 2.956 20 0 HFADMO O=C(NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCC3CC3)O2)n1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001130794276 1080124643 /nfs/dbraw/zinc/12/46/43/1080124643.db2.gz PKPGMGHRGLVZQY-LTFXXXRZSA-N 1 1 401.555 2.857 20 0 HFADMO C[C@@H](NC(=O)C(=O)Nc1cccc(C(C)(C)O)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000806964929 1080131628 /nfs/dbraw/zinc/13/16/28/1080131628.db2.gz HNGGZFMHVSEXHV-MJGOQNOKSA-N 1 1 409.530 2.879 20 0 HFADMO CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000806977151 1080186841 /nfs/dbraw/zinc/18/68/41/1080186841.db2.gz XUCPYUYQGLEFGA-ZCNNSNEGSA-N 1 1 424.586 2.720 20 0 HFADMO CO[C@](C)(CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)COCc1ccccc1 ZINC001130802053 1080190243 /nfs/dbraw/zinc/19/02/43/1080190243.db2.gz ZVPVQXIAERGYOA-ISKFKSNPSA-N 1 1 412.530 2.626 20 0 HFADMO CO[C@](C)(CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)COCc1ccccc1 ZINC001130802053 1080190250 /nfs/dbraw/zinc/19/02/50/1080190250.db2.gz ZVPVQXIAERGYOA-ISKFKSNPSA-N 1 1 412.530 2.626 20 0 HFADMO CO[C@@](C)(CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)COCc1ccccc1 ZINC001130802056 1080190354 /nfs/dbraw/zinc/19/03/54/1080190354.db2.gz ZVPVQXIAERGYOA-VWNXMTODSA-N 1 1 412.530 2.626 20 0 HFADMO CO[C@@](C)(CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)COCc1ccccc1 ZINC001130802056 1080190355 /nfs/dbraw/zinc/19/03/55/1080190355.db2.gz ZVPVQXIAERGYOA-VWNXMTODSA-N 1 1 412.530 2.626 20 0 HFADMO CC[C@H](NC(=O)c1cnc(C2OCCO2)s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000807070254 1080253399 /nfs/dbraw/zinc/25/33/99/1080253399.db2.gz SDRJCQVIFDXDOW-IRXDYDNUSA-N 1 1 417.531 2.598 20 0 HFADMO CC[C@H](NC(=O)c1cnc(C2OCCO2)s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000807070254 1080253412 /nfs/dbraw/zinc/25/34/12/1080253412.db2.gz SDRJCQVIFDXDOW-IRXDYDNUSA-N 1 1 417.531 2.598 20 0 HFADMO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000807114409 1080291470 /nfs/dbraw/zinc/29/14/70/1080291470.db2.gz MJDJAXCSCFDCCS-DEVSCXNHSA-N 1 1 424.545 2.919 20 0 HFADMO COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000807139615 1080299457 /nfs/dbraw/zinc/29/94/57/1080299457.db2.gz UMNGQOAVFSFKMU-KVPLUYHFSA-N 1 1 402.539 2.816 20 0 HFADMO COC(=O)N1CCC([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000807147574 1080302716 /nfs/dbraw/zinc/30/27/16/1080302716.db2.gz GEBYFLODHJTACC-SQGPQFPESA-N 1 1 402.539 2.816 20 0 HFADMO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000807148317 1080304678 /nfs/dbraw/zinc/30/46/78/1080304678.db2.gz VIOYZLUQMVEYEF-VQTJNVASSA-N 1 1 402.539 2.817 20 0 HFADMO COc1ccc(C2=NO[C@@H](CNC(=O)N3CC[N@H+](C)[C@H](Cc4ccccc4)C3)C2)cc1 ZINC000807214246 1080367315 /nfs/dbraw/zinc/36/73/15/1080367315.db2.gz LSLCRVDIPFWQSG-IFMALSPDSA-N 1 1 422.529 2.757 20 0 HFADMO COc1ccc(C2=NO[C@@H](CNC(=O)N3CC[N@@H+](C)[C@H](Cc4ccccc4)C3)C2)cc1 ZINC000807214246 1080367341 /nfs/dbraw/zinc/36/73/41/1080367341.db2.gz LSLCRVDIPFWQSG-IFMALSPDSA-N 1 1 422.529 2.757 20 0 HFADMO C[C@H]1C[N@@H+](CCCNC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)CCCO1 ZINC000807181101 1080373663 /nfs/dbraw/zinc/37/36/63/1080373663.db2.gz NVSPEQATKOPFOI-WMLDXEAASA-N 1 1 403.445 2.539 20 0 HFADMO CCCCC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC001130880889 1080387423 /nfs/dbraw/zinc/38/74/23/1080387423.db2.gz UBCDNXGLCJFWCU-CESLEGSUSA-N 1 1 402.539 2.525 20 0 HFADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)[C@@H](C)C1 ZINC000807318216 1080511212 /nfs/dbraw/zinc/51/12/12/1080511212.db2.gz HNEBFBKGEDASSY-JKSUJKDBSA-N 1 1 418.538 2.763 20 0 HFADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)[C@@H](C)C1 ZINC000807318216 1080511219 /nfs/dbraw/zinc/51/12/19/1080511219.db2.gz HNEBFBKGEDASSY-JKSUJKDBSA-N 1 1 418.538 2.763 20 0 HFADMO C[C@@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(OC(F)(F)F)c1 ZINC000807364394 1080544267 /nfs/dbraw/zinc/54/42/67/1080544267.db2.gz KKWZYTFBSYWUNS-OHRKKDJYSA-N 1 1 413.440 2.894 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC)c(OC2CCCC2)c1 ZINC000807394548 1080561531 /nfs/dbraw/zinc/56/15/31/1080561531.db2.gz RXLPCXCHVLTDJJ-KRWDZBQOSA-N 1 1 403.523 2.946 20 0 HFADMO COC(=O)c1cc(Cl)cc(NC(=O)C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)c1 ZINC000807413727 1080612473 /nfs/dbraw/zinc/61/24/73/1080612473.db2.gz UYFIJTWBGPXJJQ-UHFFFAOYSA-N 1 1 421.881 2.639 20 0 HFADMO CS[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC000807452094 1080632154 /nfs/dbraw/zinc/63/21/54/1080632154.db2.gz OENBLOPGNUJEGV-AZUAARDMSA-N 1 1 415.559 2.928 20 0 HFADMO CS[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000807452094 1080632164 /nfs/dbraw/zinc/63/21/64/1080632164.db2.gz OENBLOPGNUJEGV-AZUAARDMSA-N 1 1 415.559 2.928 20 0 HFADMO CCn1cncc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)c1=O ZINC001130967975 1080676903 /nfs/dbraw/zinc/67/69/03/1080676903.db2.gz MLNVZODZLOGDRN-IAGOWNOFSA-N 1 1 409.515 2.574 20 0 HFADMO COC(=O)Nc1cccc(CNC(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000807491990 1080681157 /nfs/dbraw/zinc/68/11/57/1080681157.db2.gz CTJBFZCDSJCDDE-HDICACEKSA-N 1 1 417.554 2.565 20 0 HFADMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC[C@@](C)(O)c1ccccc1 ZINC000807500293 1080697145 /nfs/dbraw/zinc/69/71/45/1080697145.db2.gz VHNXYCPRLLSENK-NBGIEHNGSA-N 1 1 423.557 2.523 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N[C@H](C)CCOCc2ccccc2)cn1 ZINC000807533195 1080747869 /nfs/dbraw/zinc/74/78/69/1080747869.db2.gz GQCGAJXGFDIIIM-MRXNPFEDSA-N 1 1 407.474 2.626 20 0 HFADMO COc1cc(C)cc(CNC(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000807539990 1080754757 /nfs/dbraw/zinc/75/47/57/1080754757.db2.gz SNYUJIJNBWLBDK-XMMPIXPASA-N 1 1 409.530 2.648 20 0 HFADMO Cc1nc(-c2ccccc2NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)no1 ZINC000807542888 1080758708 /nfs/dbraw/zinc/75/87/08/1080758708.db2.gz GJTFUEMRPZABPH-DNVCBOLYSA-N 1 1 419.485 2.763 20 0 HFADMO CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1C ZINC000807544565 1080761508 /nfs/dbraw/zinc/76/15/08/1080761508.db2.gz VWKLQKNYDWRFJR-KKSFZXQISA-N 1 1 408.502 2.671 20 0 HFADMO COC[C@]1(CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCN1C(=O)OC(C)(C)C ZINC000807550595 1080767645 /nfs/dbraw/zinc/76/76/45/1080767645.db2.gz IHJIWWUPEFBBMS-XGHQBKJUSA-N 1 1 412.575 2.527 20 0 HFADMO C[C@@H](Oc1cccc(Cl)c1)C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000807552020 1080768048 /nfs/dbraw/zinc/76/80/48/1080768048.db2.gz KIMYKANBEPQZJX-QGZVFWFLSA-N 1 1 416.905 2.995 20 0 HFADMO CON(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000807582558 1080793569 /nfs/dbraw/zinc/79/35/69/1080793569.db2.gz PZPHALCYLPFZTD-HKUYNNGSSA-N 1 1 401.532 2.837 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC000807556313 1080806502 /nfs/dbraw/zinc/80/65/02/1080806502.db2.gz OPUCLFLXDZJJDB-QGZVFWFLSA-N 1 1 414.937 2.783 20 0 HFADMO COC(=O)[C@@H]1C[N@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)C[C@H]1c1ccc(O)cc1 ZINC001170527710 1080819985 /nfs/dbraw/zinc/81/99/85/1080819985.db2.gz PWPFIJUGDHEUKN-QZNHQXDQSA-N 1 1 408.498 2.848 20 0 HFADMO COC(=O)[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)C[C@H]1c1ccc(O)cc1 ZINC001170527710 1080819991 /nfs/dbraw/zinc/81/99/91/1080819991.db2.gz PWPFIJUGDHEUKN-QZNHQXDQSA-N 1 1 408.498 2.848 20 0 HFADMO COc1cc2nc(C[NH2+][C@@](C)(CO)Cc3ccccc3F)[nH]c(=O)c2cc1OC ZINC001308117881 1126163533 /nfs/dbraw/zinc/16/35/33/1126163533.db2.gz OIVNUZVBIJTLRG-OAQYLSRUSA-N 1 1 401.438 2.575 20 0 HFADMO CCN(C(C)=O)c1nc(C[NH2+][C@@](C)(CO)Cc2ccc(OC)c(OC)c2)cs1 ZINC001474258363 1126203956 /nfs/dbraw/zinc/20/39/56/1126203956.db2.gz WCIFFBSIIICUIF-HXUWFJFHSA-N 1 1 407.536 2.616 20 0 HFADMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC001164643609 719217688 /nfs/dbraw/zinc/21/76/88/719217688.db2.gz ZPIKZRRSUGIPLL-VQTJNVASSA-N 1 1 407.562 2.568 20 0 HFADMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cc2c(ncnc2Cl)n1S(=O)(=O)c1ccccc1 ZINC001164634855 719227644 /nfs/dbraw/zinc/22/76/44/719227644.db2.gz HTXKZJIPKJRZJC-UONOGXRCSA-N 1 1 419.938 2.851 20 0 HFADMO COCCN1CC[N@H+](C)C2(CCN(c3nccc4cc(F)c(Cl)cc43)CC2)C1=O ZINC001164644090 719283970 /nfs/dbraw/zinc/28/39/70/719283970.db2.gz CEXNQTOMQLDJNA-UHFFFAOYSA-N 1 1 420.916 2.787 20 0 HFADMO COCCN1CC[N@@H+](C)C2(CCN(c3nccc4cc(F)c(Cl)cc43)CC2)C1=O ZINC001164644090 719283974 /nfs/dbraw/zinc/28/39/74/719283974.db2.gz CEXNQTOMQLDJNA-UHFFFAOYSA-N 1 1 420.916 2.787 20 0 HFADMO COC(=O)c1cccc2nc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)ncc21 ZINC001164646876 719309405 /nfs/dbraw/zinc/30/94/05/719309405.db2.gz JJHNNNRTKKCDOY-UHFFFAOYSA-N 1 1 408.506 2.818 20 0 HFADMO CCOC(=O)c1nnc(Cl)cc1N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001164647585 719310533 /nfs/dbraw/zinc/31/05/33/719310533.db2.gz DCJFOZRVTOYZSF-UHFFFAOYSA-N 1 1 406.918 2.708 20 0 HFADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(Cl)c(F)c3c1C(=O)NC3)CC2 ZINC001164650368 719311712 /nfs/dbraw/zinc/31/17/12/719311712.db2.gz WYDRWRPWZUIMRB-UHFFFAOYSA-N 1 1 406.893 2.519 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nccnc1C1SCCCS1)CC2 ZINC001164683137 719710951 /nfs/dbraw/zinc/71/09/51/719710951.db2.gz IPXSHYHJRIFNRB-UHFFFAOYSA-N 1 1 407.609 2.526 20 0 HFADMO CCOC(=O)Cc1ccc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)nn1 ZINC001164691277 719811708 /nfs/dbraw/zinc/81/17/08/719811708.db2.gz CVZNXEOCFQMINJ-UHFFFAOYSA-N 1 1 415.563 2.982 20 0 HFADMO Cn1nnc2c1[C@@H](COCc1cccnc1)CN(c1ccc(C[N@@H+](C)C3CC3)cn1)C2 ZINC001164694977 719835751 /nfs/dbraw/zinc/83/57/51/719835751.db2.gz KABLXJWUGCPMOB-LJQANCHMSA-N 1 1 419.533 2.520 20 0 HFADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C(F)F)nc2ccccc21 ZINC001164702280 719871354 /nfs/dbraw/zinc/87/13/54/719871354.db2.gz HXHDXVONDSNJON-QKKBWIMNSA-N 1 1 420.460 2.800 20 0 HFADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc2cc(OC)c(F)cc21 ZINC001164706100 719877726 /nfs/dbraw/zinc/87/77/26/719877726.db2.gz OTGUGDWATLSZDL-KSFYIVLOSA-N 1 1 417.481 2.615 20 0 HFADMO CCOC(=O)c1cc(C)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164694880 719890016 /nfs/dbraw/zinc/89/00/16/719890016.db2.gz GQBGPJKWTJLDEW-UHFFFAOYSA-N 1 1 416.547 2.895 20 0 HFADMO CCOC(=O)c1cc(C)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164694880 719890017 /nfs/dbraw/zinc/89/00/17/719890017.db2.gz GQBGPJKWTJLDEW-UHFFFAOYSA-N 1 1 416.547 2.895 20 0 HFADMO c1csc(CN2CCOC3(CCN(c4cccc(N5CCOCC5)[nH+]4)CC3)C2)c1 ZINC001164698404 719896303 /nfs/dbraw/zinc/89/63/03/719896303.db2.gz SIKJVKJJBZGXAG-UHFFFAOYSA-N 1 1 414.575 2.851 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(C(=O)OC)ccc31)C2 ZINC001164806333 720081989 /nfs/dbraw/zinc/08/19/89/720081989.db2.gz BNWTWCYKRZUHBS-WZONZLPQSA-N 1 1 410.518 2.601 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc3ccc(C(=O)OC)cc3n1)C2 ZINC001164815706 720082667 /nfs/dbraw/zinc/08/26/67/720082667.db2.gz ZERJTXFCXAYCAJ-AUSIDOKSSA-N 1 1 410.518 2.601 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(OC)c(OC)cc31)C2 ZINC001164814786 720085745 /nfs/dbraw/zinc/08/57/45/720085745.db2.gz WPZYZQBNTLWIFO-GAJHUEQPSA-N 1 1 412.534 2.832 20 0 HFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3ncccc31)CC2 ZINC001164710662 720101308 /nfs/dbraw/zinc/10/13/08/720101308.db2.gz KOVHECHGTXSQBX-LJQANCHMSA-N 1 1 404.518 2.927 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(/C=C/C(=O)OC)cc3cc[nH]c31)C2 ZINC001164818157 720150838 /nfs/dbraw/zinc/15/08/38/720150838.db2.gz RXSYIPZLAXVODS-FKXJXIBSSA-N 1 1 424.545 2.934 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(OC)nc(Cl)n1)C2 ZINC001164812888 720201206 /nfs/dbraw/zinc/20/12/06/720201206.db2.gz MTEYCMPQSJRFQB-RDTXWAMCSA-N 1 1 416.900 2.868 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)Oc1cnc(Cl)cn1)C2 ZINC001164815168 720201834 /nfs/dbraw/zinc/20/18/34/720201834.db2.gz WRMAGLFYJKPHGJ-RHSMWYFYSA-N 1 1 402.873 2.739 20 0 HFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(-c3ccccc3)ncn1)CCC2 ZINC001164812196 720234289 /nfs/dbraw/zinc/23/42/89/720234289.db2.gz CWJUCKOVDGXEHS-UHFFFAOYSA-N 1 1 404.518 2.951 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4ccc(C)cc43)C2)C1 ZINC001164718680 720234726 /nfs/dbraw/zinc/23/47/26/720234726.db2.gz GTXYVOFJLBYCET-JOCHJYFZSA-N 1 1 416.953 2.861 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4ccc(C)cc43)C2)C1 ZINC001164718680 720234733 /nfs/dbraw/zinc/23/47/33/720234733.db2.gz GTXYVOFJLBYCET-JOCHJYFZSA-N 1 1 416.953 2.861 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc4cc(Cl)ccc43)C2)C1 ZINC001164718387 720237905 /nfs/dbraw/zinc/23/79/05/720237905.db2.gz FXGSLCXFIHNKNG-OAQYLSRUSA-N 1 1 402.926 2.553 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc4cc(Cl)ccc43)C2)C1 ZINC001164718387 720237909 /nfs/dbraw/zinc/23/79/09/720237909.db2.gz FXGSLCXFIHNKNG-OAQYLSRUSA-N 1 1 402.926 2.553 20 0 HFADMO COC(=O)c1c(Cl)cnc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1OC ZINC001164727052 720423806 /nfs/dbraw/zinc/42/38/06/720423806.db2.gz CXGAJRKAIXRWHI-HOTGVXAUSA-N 1 1 402.882 2.778 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(Cl)nc(N(C)C)n3)CC[C@@H]21 ZINC001164836547 720507649 /nfs/dbraw/zinc/50/76/49/720507649.db2.gz NENPPVWCGVUGHP-IKGGRYGDSA-N 1 1 403.962 2.770 20 0 HFADMO COc1cnc(SC)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164839462 720513316 /nfs/dbraw/zinc/51/33/16/720513316.db2.gz UUSPIDWHZWCDJR-BRWVUGGUSA-N 1 1 402.568 2.781 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)c(F)cc3C(N)=O)CC[C@@H]21 ZINC001164834750 720523319 /nfs/dbraw/zinc/52/33/19/720523319.db2.gz HLIABADHFZVABA-ZQIUZPCESA-N 1 1 420.920 2.547 20 0 HFADMO CCOC(=O)c1cnc(C)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164839980 720524505 /nfs/dbraw/zinc/52/45/05/720524505.db2.gz VCHYUDMTEUQJRB-QWFCFKBJSA-N 1 1 412.538 2.536 20 0 HFADMO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1C ZINC001164837354 720538052 /nfs/dbraw/zinc/53/80/52/720538052.db2.gz LXMLYASQDYVPIX-WSTZPKSXSA-N 1 1 412.538 2.536 20 0 HFADMO COC(=O)c1cc2c[nH]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc-2n1 ZINC001164836680 720582662 /nfs/dbraw/zinc/58/26/62/720582662.db2.gz GJBABZWLXHWAKQ-BBTUJRGHSA-N 1 1 422.533 2.924 20 0 HFADMO COC(=O)c1cc2c[nH]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc-2n1 ZINC001164836685 720584284 /nfs/dbraw/zinc/58/42/84/720584284.db2.gz GJBABZWLXHWAKQ-WAOWUJCRSA-N 1 1 422.533 2.924 20 0 HFADMO Fc1ccc2nc(Cl)nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164738138 720630990 /nfs/dbraw/zinc/63/09/90/720630990.db2.gz AJKUNXLIIJFRLD-ZIAGYGMSSA-N 1 1 400.845 2.554 20 0 HFADMO C[C@H]1C(=O)Nc2ncnc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c21 ZINC001164843342 720696276 /nfs/dbraw/zinc/69/62/76/720696276.db2.gz OFQDNRDEOSAUOG-SJLPKXTDSA-N 1 1 407.518 2.792 20 0 HFADMO Clc1cccc(-c2cccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)n1 ZINC001164739249 720698712 /nfs/dbraw/zinc/69/87/12/720698712.db2.gz MKVKIPGOSWDGLT-HOTGVXAUSA-N 1 1 408.893 2.929 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cncc(-n3ccnc3)n1)CC2 ZINC001164839885 720703423 /nfs/dbraw/zinc/70/34/23/720703423.db2.gz OBJRRGBKEYQALA-FQEVSTJZSA-N 1 1 404.518 2.922 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(C(=O)NC3CC3)nn1)CC2 ZINC001164839894 720718520 /nfs/dbraw/zinc/71/85/20/720718520.db2.gz OEIIIFMRLSORHK-HXUWFJFHSA-N 1 1 421.545 2.629 20 0 HFADMO CON(C)C(=O)c1ccnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164838291 720719066 /nfs/dbraw/zinc/71/90/66/720719066.db2.gz HUBNLCQCALVUFI-NRFANRHFSA-N 1 1 424.545 2.975 20 0 HFADMO Clc1cccc(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)c1 ZINC001164738693 720764559 /nfs/dbraw/zinc/76/45/59/720764559.db2.gz GWDHRONNXBAGIL-ROUUACIJSA-N 1 1 408.893 2.929 20 0 HFADMO Cc1ccc(C)c(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)c1 ZINC001164741143 720773530 /nfs/dbraw/zinc/77/35/30/720773530.db2.gz MJSXQVCMJXQPGQ-OALUTQOASA-N 1 1 402.502 2.892 20 0 HFADMO Fc1ccc(COc2cccnc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC001164740424 720777325 /nfs/dbraw/zinc/77/73/25/720777325.db2.gz LAVYIEBHFDFSSJ-WOJBJXKFSA-N 1 1 421.476 2.932 20 0 HFADMO CCN(c1ccccc1)c1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)ncn1 ZINC001164744071 720791577 /nfs/dbraw/zinc/79/15/77/720791577.db2.gz HIKJGEZFPXKXDB-PMACEKPBSA-N 1 1 417.517 2.767 20 0 HFADMO Cc1c(Cl)nc(CC(C)C)nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164751207 720800808 /nfs/dbraw/zinc/80/08/08/720800808.db2.gz XLOBUQXKEAQENY-CVEARBPZSA-N 1 1 402.930 2.769 20 0 HFADMO Cc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1C ZINC001164745968 720808878 /nfs/dbraw/zinc/80/88/78/720808878.db2.gz LASKTHTUQCBCJA-KZNAEPCWSA-N 1 1 401.946 2.718 20 0 HFADMO Clc1nc2cc[nH]c2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164744137 720808946 /nfs/dbraw/zinc/80/89/46/720808946.db2.gz HLCDQDTUKSZGQO-HLLBOEOZSA-N 1 1 412.929 2.582 20 0 HFADMO Clc1nc2[nH]ccc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164742366 720809494 /nfs/dbraw/zinc/80/94/94/720809494.db2.gz CYALROXLJJMMGK-HLLBOEOZSA-N 1 1 412.929 2.582 20 0 HFADMO O=C1[C@@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]2CN1Cc1ccncc1 ZINC001164855809 720811417 /nfs/dbraw/zinc/81/14/17/720811417.db2.gz YZNFOEXZSPLPKD-RBUKOAKNSA-N 1 1 411.937 2.821 20 0 HFADMO Clc1cc(Cl)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1 ZINC001164747753 720813569 /nfs/dbraw/zinc/81/35/69/720813569.db2.gz PHHKMSUZXOPRMH-IIAWOOMASA-N 1 1 408.337 2.754 20 0 HFADMO Clc1ncnc2[nH]cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c21 ZINC001164745522 720815090 /nfs/dbraw/zinc/81/50/90/720815090.db2.gz KROJOIMNSWALLY-HRCADAONSA-N 1 1 412.929 2.534 20 0 HFADMO COc1ccc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164739748 720817865 /nfs/dbraw/zinc/81/78/65/720817865.db2.gz IHVDUJRMJYNUOW-JBYIUTFZSA-N 1 1 419.533 2.609 20 0 HFADMO Clc1nc2cnccc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164739850 720821196 /nfs/dbraw/zinc/82/11/96/720821196.db2.gz JBZIHSGSQYZXGL-JTDSTZFVSA-N 1 1 424.940 2.649 20 0 HFADMO Cc1nc(C)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164742780 720824590 /nfs/dbraw/zinc/82/45/90/720824590.db2.gz QWRZMLKHOWPCRP-KZNAEPCWSA-N 1 1 401.946 2.718 20 0 HFADMO Cc1cccc2ncc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc12 ZINC001164738762 720824711 /nfs/dbraw/zinc/82/47/11/720824711.db2.gz GGTDXCMYRRTPDY-IRFCIJBXSA-N 1 1 403.534 2.909 20 0 HFADMO Clc1nc2cccnc2nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743242 720827784 /nfs/dbraw/zinc/82/77/84/720827784.db2.gz RPNHBAVCJIABCJ-JFIYKMOQSA-N 1 1 424.940 2.649 20 0 HFADMO COc1cccc2cnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc21 ZINC001164739229 720830666 /nfs/dbraw/zinc/83/06/66/720830666.db2.gz HVVYTLQHMYMCDE-SLFFLAALSA-N 1 1 419.533 2.609 20 0 HFADMO Fc1ccc2cnnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164751898 720832156 /nfs/dbraw/zinc/83/21/56/720832156.db2.gz ZMJMBDZLGBXYGD-HFSMHLIXSA-N 1 1 407.497 2.740 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3nc(Cl)cc(Cl)n3)CC[C@H]2C1 ZINC001164849796 720837237 /nfs/dbraw/zinc/83/72/37/720837237.db2.gz DEPZTJUEYRSYEZ-NWDGAFQWSA-N 1 1 411.280 2.502 20 0 HFADMO COc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164747697 720838380 /nfs/dbraw/zinc/83/83/80/720838380.db2.gz RJDCLHIPYRLFBZ-JTDSTZFVSA-N 1 1 402.930 2.715 20 0 HFADMO CCOC(=O)c1c(C)ccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748375 720840639 /nfs/dbraw/zinc/84/06/39/720840639.db2.gz UNOTVBRXVDZXGZ-SLFFLAALSA-N 1 1 424.549 2.538 20 0 HFADMO c1coc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)c1 ZINC001164751128 720851477 /nfs/dbraw/zinc/85/14/77/720851477.db2.gz QGEYEIJNTXMTHY-CMKODMSKSA-N 1 1 405.506 2.708 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4sc5c(c43)CC[C@@H](C)C5)CC[C@H]2C1 ZINC001164852744 720853365 /nfs/dbraw/zinc/85/33/65/720853365.db2.gz FPKFRLDTBULVSM-SOLBZPMBSA-N 1 1 416.591 2.990 20 0 HFADMO COc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164754818 720868273 /nfs/dbraw/zinc/86/82/73/720868273.db2.gz SPUJCJXCZHNIRC-OFNKIYASSA-N 1 1 409.534 2.635 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(-c4ccccn4)nc4ccccc43)CC[C@@H]2C1 ZINC001164863743 720875054 /nfs/dbraw/zinc/87/50/54/720875054.db2.gz UBUXDNQAWMXPSG-GCJKJVERSA-N 1 1 419.529 2.865 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc(-c4cccc(Cl)c4)nn3)CC[C@@H]2C1 ZINC001164859266 720876249 /nfs/dbraw/zinc/87/62/49/720876249.db2.gz MGLHYTZXRBAESK-YLJYHZDGSA-N 1 1 402.926 2.971 20 0 HFADMO COCc1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755948 720886843 /nfs/dbraw/zinc/88/68/43/720886843.db2.gz NQIJYVMVALEGNW-URXFXBBRSA-N 1 1 423.561 2.773 20 0 HFADMO COCc1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755950 720887090 /nfs/dbraw/zinc/88/70/90/720887090.db2.gz NQIJYVMVALEGNW-ZJSXRUAMSA-N 1 1 423.561 2.773 20 0 HFADMO COc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C)n1 ZINC001164757891 720887695 /nfs/dbraw/zinc/88/76/95/720887695.db2.gz WFCAQVXUCARTGD-QPPBQGQZSA-N 1 1 423.561 2.944 20 0 HFADMO COc1nc(C)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755386 720889813 /nfs/dbraw/zinc/88/98/13/720889813.db2.gz LSMHMVRMBXXALB-ZJSXRUAMSA-N 1 1 423.561 2.944 20 0 HFADMO CON(C)C(=O)c1cc(C)cnc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164863584 720991515 /nfs/dbraw/zinc/99/15/15/720991515.db2.gz WVVLZHKACFACAV-MRXNPFEDSA-N 1 1 400.527 2.641 20 0 HFADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(Cn3ccccc3=O)cn1)[C@@H]2C ZINC001164861915 721007228 /nfs/dbraw/zinc/00/72/28/721007228.db2.gz RBFYXCUESQTYOQ-GOSISDBHSA-N 1 1 406.534 2.910 20 0 HFADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(C(=O)NC3CCCC3)nn1)[C@H]2C ZINC001164861061 721009994 /nfs/dbraw/zinc/00/99/94/721009994.db2.gz NMJWZSAOZLABSJ-INIZCTEOSA-N 1 1 411.554 2.767 20 0 HFADMO Clc1nc2c(c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n1)CSC2 ZINC001164866243 721069476 /nfs/dbraw/zinc/06/94/76/721069476.db2.gz DALFYFWIGOTQKY-HUUCEWRRSA-N 1 1 403.939 2.752 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4CSCC5)C[C@H]3C2)cn1 ZINC001164763699 721087650 /nfs/dbraw/zinc/08/76/50/721087650.db2.gz GRIWMYBOSWYPJO-LSDHHAIUSA-N 1 1 404.971 2.611 20 0 HFADMO CC(C)(C)OC(=O)c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164865647 721088058 /nfs/dbraw/zinc/08/80/58/721088058.db2.gz NWDOVYSWAKSQNM-UXHICEINSA-N 1 1 410.518 2.912 20 0 HFADMO COc1ccc2nc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c(Cl)nc2c1 ZINC001164770955 721111944 /nfs/dbraw/zinc/11/19/44/721111944.db2.gz RQCRQLNOLUEIEB-HZPDHXFCSA-N 1 1 412.925 2.984 20 0 HFADMO Fc1ncccc1-c1ccnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164864368 721115539 /nfs/dbraw/zinc/11/55/39/721115539.db2.gz FPBRMEXUAIUDOF-QZTJIDSGSA-N 1 1 406.465 2.552 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nccc(OCc5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164767333 721129958 /nfs/dbraw/zinc/12/99/58/721129958.db2.gz MUGBWITZOWFZDB-SFTDATJTSA-N 1 1 404.518 2.747 20 0 HFADMO CCOC(=O)c1cnc2cc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)[nH]cc1-2 ZINC001164881197 721134259 /nfs/dbraw/zinc/13/42/59/721134259.db2.gz ZRHPQBHNGZBFIN-ROUUACIJSA-N 1 1 421.501 2.614 20 0 HFADMO COc1cc2c(cc1Cl)ncnc2N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164768971 721137805 /nfs/dbraw/zinc/13/78/05/721137805.db2.gz OOTFLMHHBBHPPL-CVEARBPZSA-N 1 1 412.925 2.984 20 0 HFADMO COc1cc2ccnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c2cc1OC ZINC001164771804 721145078 /nfs/dbraw/zinc/14/50/78/721145078.db2.gz UFDXBPCRFDGVKM-OALUTQOASA-N 1 1 407.518 2.944 20 0 HFADMO COc1cc2ccnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c2cc1OC ZINC001164771804 721145089 /nfs/dbraw/zinc/14/50/89/721145089.db2.gz UFDXBPCRFDGVKM-OALUTQOASA-N 1 1 407.518 2.944 20 0 HFADMO Cc1nc2c(nc(Cl)nc2N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)s1 ZINC001164762669 721146407 /nfs/dbraw/zinc/14/64/07/721146407.db2.gz DDXRAIGMXNHKLW-KGLIPLIRSA-N 1 1 403.943 2.740 20 0 HFADMO COc1ccc(-c2ccc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)nn2)cc1 ZINC001164761998 721195791 /nfs/dbraw/zinc/19/57/91/721195791.db2.gz BQMJJUMUGOMARE-PMACEKPBSA-N 1 1 404.518 2.844 20 0 HFADMO COc1ccccc1-c1ccnc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164761436 721210507 /nfs/dbraw/zinc/21/05/07/721210507.db2.gz BAHPIWODYGENPC-MOPGFXCFSA-N 1 1 404.518 2.844 20 0 HFADMO COc1ccccc1-c1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)ncn1 ZINC001164762632 721210774 /nfs/dbraw/zinc/21/07/74/721210774.db2.gz DBTCDFITVPVJRV-OALUTQOASA-N 1 1 404.518 2.844 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4nc5ccc(Cl)nc5[nH]4)C[C@@H]3C2)cn1 ZINC001164770822 721212057 /nfs/dbraw/zinc/21/20/57/721212057.db2.gz ORRSYWAZJRXSEC-KGLIPLIRSA-N 1 1 421.883 2.848 20 0 HFADMO COC(=O)c1cccc2nc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)ccc21 ZINC001164770812 721224408 /nfs/dbraw/zinc/22/44/08/721224408.db2.gz OOHHQIMOEYBMBA-QZTJIDSGSA-N 1 1 405.502 2.713 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4cnccc43)C2)C1 ZINC001164779727 721339162 /nfs/dbraw/zinc/33/91/62/721339162.db2.gz UZQXSSZNYHUPIW-JOCHJYFZSA-N 1 1 408.506 2.749 20 0 HFADMO Cc1cc2c(ncnc2N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)s1 ZINC001164885001 721380318 /nfs/dbraw/zinc/38/03/18/721380318.db2.gz BLVPXYPUWIPFJH-DYESRHJHSA-N 1 1 401.580 2.765 20 0 HFADMO Cc1nc2ccsc2c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164889273 721380364 /nfs/dbraw/zinc/38/03/64/721380364.db2.gz LLIUQXRESJKKRE-DYESRHJHSA-N 1 1 401.580 2.765 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5ccoc54)C3)O2)CC1 ZINC001164894491 721389442 /nfs/dbraw/zinc/38/94/42/721389442.db2.gz YJMUFRRMWJRDDK-YWZLYKJASA-N 1 1 405.930 2.642 20 0 HFADMO CCOC(=O)c1nc2ccccc2c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164786609 721394074 /nfs/dbraw/zinc/39/40/74/721394074.db2.gz OIFWZFARZYXTKT-GJZGRUSLSA-N 1 1 409.515 2.831 20 0 HFADMO Cc1nc2ccc(F)cc2c(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164892896 721397537 /nfs/dbraw/zinc/39/75/37/721397537.db2.gz UIHRAMXPORDVIZ-CVDCTZTESA-N 1 1 413.541 2.843 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4SCC5)C3)O2)CC1 ZINC001164892442 721402153 /nfs/dbraw/zinc/40/21/53/721402153.db2.gz YGRFTWOQRRYNEC-MGPUTAFESA-N 1 1 424.014 2.544 20 0 HFADMO COc1cc2nc(C)nc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c2cc1OC ZINC001164788047 721411270 /nfs/dbraw/zinc/41/12/70/721411270.db2.gz QPRHPTRQQFWYOW-HUUCEWRRSA-N 1 1 411.531 2.980 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN([C@H](F)Oc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164883904 721411715 /nfs/dbraw/zinc/41/17/15/721411715.db2.gz CLLCQBKQQKFCMI-YSIASYRMSA-N 1 1 412.937 2.628 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5cccs5)nn4)C3)O2)CC1 ZINC001164887716 721421484 /nfs/dbraw/zinc/42/14/84/721421484.db2.gz MNXFANAGUFPIFL-PGRDOPGGSA-N 1 1 413.591 2.971 20 0 HFADMO COC(=O)c1c(Cl)cnc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c1OC ZINC001164782517 721422536 /nfs/dbraw/zinc/42/25/36/721422536.db2.gz GQXIHMUDBAFFQY-VXGBXAGGSA-N 1 1 408.911 2.555 20 0 HFADMO Cc1cc(NC(=O)c2cccnc2N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)no1 ZINC001164780928 721424145 /nfs/dbraw/zinc/42/41/45/721424145.db2.gz BPOAWIYXFVATPE-HUUCEWRRSA-N 1 1 410.503 2.655 20 0 HFADMO CSc1ncc(Cl)nc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164895781 721430659 /nfs/dbraw/zinc/43/06/59/721430659.db2.gz PLILZNPFQGAQJK-DNVCBOLYSA-N 1 1 412.003 2.617 20 0 HFADMO Cc1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(-c2ccncc2)n1 ZINC001164896115 721432354 /nfs/dbraw/zinc/43/23/54/721432354.db2.gz QNGVIJNYBBHLAT-ZJSXRUAMSA-N 1 1 422.577 2.612 20 0 HFADMO Cc1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(C(C)(C)C)n1 ZINC001164898408 721439111 /nfs/dbraw/zinc/43/91/11/721439111.db2.gz VYOAQPOURFOFJD-AUSIDOKSSA-N 1 1 401.599 2.848 20 0 HFADMO CSc1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(SC)n1 ZINC001164892032 721451182 /nfs/dbraw/zinc/45/11/82/721451182.db2.gz VWCCHPFGYFLEDH-OXQOHEQNSA-N 1 1 423.652 2.686 20 0 HFADMO CSc1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(SC)n1 ZINC001164892031 721451291 /nfs/dbraw/zinc/45/12/91/721451291.db2.gz VWCCHPFGYFLEDH-OXJNMPFZSA-N 1 1 423.652 2.686 20 0 HFADMO CCOc1cnc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)nc1 ZINC001164788651 721455672 /nfs/dbraw/zinc/45/56/72/721455672.db2.gz SAUAWGJEOGXUPJ-LJQANCHMSA-N 1 1 404.555 2.609 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nnc3ccccc3n1)CC2 ZINC001164787170 721468371 /nfs/dbraw/zinc/46/83/71/721468371.db2.gz CWPRYGMFMRFIEZ-LJQANCHMSA-N 1 1 411.550 2.759 20 0 HFADMO C[N@@H+](Cc1ccc(N2CCCn3nnc(CNc4cccnc4)c3C2)nc1)C1CC1 ZINC001164788780 721474960 /nfs/dbraw/zinc/47/49/60/721474960.db2.gz KPTFCJMKSGDROT-UHFFFAOYSA-N 1 1 404.522 2.685 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@]3(CC(=O)NCC3CC3)C2)nc1 ZINC001164894320 721484699 /nfs/dbraw/zinc/48/46/99/721484699.db2.gz HHBOKVJNVTZUDA-PQNGQFLHSA-N 1 1 412.578 2.998 20 0 HFADMO COC(=O)c1ccc2c(c1)ncnc2N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164896360 721517134 /nfs/dbraw/zinc/51/71/34/721517134.db2.gz BDWIYPYTXSBEOX-MJGOQNOKSA-N 1 1 422.460 2.897 20 0 HFADMO COC(=O)c1ccc2ncnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1 ZINC001164899674 721517775 /nfs/dbraw/zinc/51/77/75/721517775.db2.gz LOZYZHJQHJHCRF-MJGOQNOKSA-N 1 1 422.460 2.897 20 0 HFADMO COC(=O)c1cccc2nc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)ncc21 ZINC001164900681 721524614 /nfs/dbraw/zinc/52/46/14/721524614.db2.gz SYOQONIEYZQGEO-AEFFLSMTSA-N 1 1 422.460 2.897 20 0 HFADMO COC(=O)c1c(Cl)ccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164805992 721530745 /nfs/dbraw/zinc/53/07/45/721530745.db2.gz NESAZYHPXRMCQB-LNLFQRSKSA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1c(Cl)ccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164805992 721530748 /nfs/dbraw/zinc/53/07/48/721530748.db2.gz NESAZYHPXRMCQB-LNLFQRSKSA-N 1 1 416.909 2.785 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164798975 721531782 /nfs/dbraw/zinc/53/17/82/721531782.db2.gz AGETZZIOMRVADO-IIDMSEBBSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164798975 721531784 /nfs/dbraw/zinc/53/17/84/721531784.db2.gz AGETZZIOMRVADO-IIDMSEBBSA-N 1 1 409.868 2.938 20 0 HFADMO COC(=O)c1cc(F)c(C)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909731 721533721 /nfs/dbraw/zinc/53/37/21/721533721.db2.gz RRZAGRBUQHEWNI-NVXWUHKLSA-N 1 1 403.429 2.797 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3ncccc32)[C@H]2CCCO[C@H]12 ZINC001164802348 721536051 /nfs/dbraw/zinc/53/60/51/721536051.db2.gz GCJZMDZWEQLWED-KSZLIROESA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3ncccc32)[C@H]2CCCO[C@H]12 ZINC001164802348 721536053 /nfs/dbraw/zinc/53/60/53/721536053.db2.gz GCJZMDZWEQLWED-KSZLIROESA-N 1 1 410.909 2.941 20 0 HFADMO COc1cccc2c1ncnc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164806168 721537961 /nfs/dbraw/zinc/53/79/61/721537961.db2.gz OFTAMZNJFOGMCT-XQBPLPMBSA-N 1 1 405.502 2.902 20 0 HFADMO CNC(=O)c1nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1Cl ZINC001164903428 721542128 /nfs/dbraw/zinc/54/21/28/721542128.db2.gz CLTCZQUAEIVYRA-HOCLYGCPSA-N 1 1 404.873 2.576 20 0 HFADMO CON(C)C(=O)c1cc(C)cnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164907620 721547707 /nfs/dbraw/zinc/54/77/07/721547707.db2.gz NQLFZHQWEFDRPA-IEBWSBKVSA-N 1 1 414.481 2.504 20 0 HFADMO COCc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(SC)n1 ZINC001164805333 721552031 /nfs/dbraw/zinc/55/20/31/721552031.db2.gz LRRXJBMWTZLSDQ-WSTZPKSXSA-N 1 1 415.563 2.608 20 0 HFADMO COCc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(SC)n1 ZINC001164805333 721552033 /nfs/dbraw/zinc/55/20/33/721552033.db2.gz LRRXJBMWTZLSDQ-WSTZPKSXSA-N 1 1 415.563 2.608 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(NC(=O)C(C)(C)C)nn2)[C@@H]2CCCO[C@H]12 ZINC001164799569 721553373 /nfs/dbraw/zinc/55/33/73/721553373.db2.gz CNJPKFYTZSQGKL-OPYAIIAOSA-N 1 1 424.549 2.724 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(NC(=O)C(C)(C)C)nn2)[C@@H]2CCCO[C@H]12 ZINC001164799569 721553374 /nfs/dbraw/zinc/55/33/74/721553374.db2.gz CNJPKFYTZSQGKL-OPYAIIAOSA-N 1 1 424.549 2.724 20 0 HFADMO O=c1ccccn1Cc1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164911297 721556112 /nfs/dbraw/zinc/55/61/12/721556112.db2.gz YSSCFUNVBRUZTM-RBBKRZOGSA-N 1 1 420.488 2.773 20 0 HFADMO COc1cccc2cnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc21 ZINC001164807437 721557648 /nfs/dbraw/zinc/55/76/48/721557648.db2.gz TUTQRYVQOOOOOE-DXIQSLLYSA-N 1 1 405.502 2.902 20 0 HFADMO COc1cccc2cnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc21 ZINC001164807437 721557651 /nfs/dbraw/zinc/55/76/51/721557651.db2.gz TUTQRYVQOOOOOE-DXIQSLLYSA-N 1 1 405.502 2.902 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(N3CCCCC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164810441 721565306 /nfs/dbraw/zinc/56/53/06/721565306.db2.gz YILMXURRPWTGDK-TUNNFDKTSA-N 1 1 408.550 2.730 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(N3CCCCC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164810441 721565312 /nfs/dbraw/zinc/56/53/12/721565312.db2.gz YILMXURRPWTGDK-TUNNFDKTSA-N 1 1 408.550 2.730 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(N3CCCCC3)n2)[C@H]2CCCO[C@H]12 ZINC001164802940 721575386 /nfs/dbraw/zinc/57/53/86/721575386.db2.gz IVCFXYATLQDHJG-VWPQPMDRSA-N 1 1 408.550 2.730 20 0 HFADMO Cc1noc(-c2cccnc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164808119 721579648 /nfs/dbraw/zinc/57/96/48/721579648.db2.gz PXDWCMJMSWNKAE-UFYCRDLUSA-N 1 1 406.490 2.703 20 0 HFADMO Cc1noc(-c2cccnc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164808119 721579650 /nfs/dbraw/zinc/57/96/50/721579650.db2.gz PXDWCMJMSWNKAE-UFYCRDLUSA-N 1 1 406.490 2.703 20 0 HFADMO Cc1noc(-c2ccnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2)n1 ZINC001164809545 721580943 /nfs/dbraw/zinc/58/09/43/721580943.db2.gz TVFTWCMSSCKVEQ-DYXWJJEUSA-N 1 1 406.490 2.703 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN([C@H](F)Oc2ccc(Cl)nn2)[C@H]2CCCO[C@H]12 ZINC001164800071 721591347 /nfs/dbraw/zinc/59/13/47/721591347.db2.gz BNTVDHXZDAEDPY-QXGSTGNESA-N 1 1 407.877 2.521 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN([C@H](F)Oc2ccc(Cl)nn2)[C@H]2CCCO[C@H]12 ZINC001164800071 721591348 /nfs/dbraw/zinc/59/13/48/721591348.db2.gz BNTVDHXZDAEDPY-QXGSTGNESA-N 1 1 407.877 2.521 20 0 HFADMO COc1nc(Cl)nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164908265 721749590 /nfs/dbraw/zinc/74/95/90/721749590.db2.gz GGLRDFNTXCRIDP-UHFFFAOYSA-N 1 1 400.870 2.716 20 0 HFADMO COc1nc(Cl)nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164908265 721749594 /nfs/dbraw/zinc/74/95/94/721749594.db2.gz GGLRDFNTXCRIDP-UHFFFAOYSA-N 1 1 400.870 2.716 20 0 HFADMO COCCOc1ccc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nn1 ZINC001164909459 721761672 /nfs/dbraw/zinc/76/16/72/721761672.db2.gz AFJJWCMBVIJJAG-UHFFFAOYSA-N 1 1 409.490 2.685 20 0 HFADMO COCCOc1ccc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nn1 ZINC001164909459 721761674 /nfs/dbraw/zinc/76/16/74/721761674.db2.gz AFJJWCMBVIJJAG-UHFFFAOYSA-N 1 1 409.490 2.685 20 0 HFADMO Cc1nc2ccsc2c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912833 721767652 /nfs/dbraw/zinc/76/76/52/721767652.db2.gz QPWLBSAUINDNIN-OAQYLSRUSA-N 1 1 411.531 2.503 20 0 HFADMO Cc1nc2ccsc2c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912833 721767657 /nfs/dbraw/zinc/76/76/57/721767657.db2.gz QPWLBSAUINDNIN-OAQYLSRUSA-N 1 1 411.531 2.503 20 0 HFADMO C[N@@H+](Cc1ccc(N2CCO[C@@H]3[C@H](OCCCn4cccn4)CC[C@H]32)nc1)C1CC1 ZINC001165022500 721782116 /nfs/dbraw/zinc/78/21/16/721782116.db2.gz RQCJSAUWLKHLTE-XPNTWCBSSA-N 1 1 411.550 2.715 20 0 HFADMO COc1ccc2c[nH+]c(N3CCO[C@]4(C3)COCCN(Cc3cccnc3)C4)cc2c1 ZINC001164916616 721790383 /nfs/dbraw/zinc/79/03/83/721790383.db2.gz RDIHEUAVXKOHQI-XMMPIXPASA-N 1 1 420.513 2.746 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccnc(-n4ccccc4=O)n3)C[C@@H]21 ZINC001165021311 721825820 /nfs/dbraw/zinc/82/58/20/721825820.db2.gz DUGIIXSZOZBWHI-SESVDKBCSA-N 1 1 416.529 2.759 20 0 HFADMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc2c(Cl)nc(Cl)nc21 ZINC001164925707 721855358 /nfs/dbraw/zinc/85/53/58/721855358.db2.gz FQKWBKYAHLJGHN-UWVGGRQHSA-N 1 1 416.744 2.595 20 0 HFADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc2c(Cl)nc(Cl)nc21 ZINC001164925707 721855362 /nfs/dbraw/zinc/85/53/62/721855362.db2.gz FQKWBKYAHLJGHN-UWVGGRQHSA-N 1 1 416.744 2.595 20 0 HFADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(-c2ccc3c(c2)OCCCO3)nn1 ZINC001164933301 721883214 /nfs/dbraw/zinc/88/32/14/721883214.db2.gz LOFBZLMMYJUJAT-WOJBJXKFSA-N 1 1 409.534 2.520 20 0 HFADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(-c2ccc3c(c2)OCCCO3)nn1 ZINC001164933301 721883215 /nfs/dbraw/zinc/88/32/15/721883215.db2.gz LOFBZLMMYJUJAT-WOJBJXKFSA-N 1 1 409.534 2.520 20 0 HFADMO CCOC(=O)c1ccc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nn1 ZINC001164939302 721922951 /nfs/dbraw/zinc/92/29/51/721922951.db2.gz HHOSBHVTLPWNMT-UHFFFAOYSA-N 1 1 410.518 2.833 20 0 HFADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(C(=O)NC5CC5)nn4)CC3)C2)cc1 ZINC001164939405 721932153 /nfs/dbraw/zinc/93/21/53/721932153.db2.gz KIOFMMXIQJBQMP-UHFFFAOYSA-N 1 1 421.545 2.549 20 0 HFADMO COCCn1ccc2c1ncnc2N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164952020 722018406 /nfs/dbraw/zinc/01/84/06/722018406.db2.gz GAMZPTATMASLMB-UHFFFAOYSA-N 1 1 406.534 2.965 20 0 HFADMO c1cc(C[N@H+]2CCOCC3(CCN(c4cncc(N5CCCCC5)n4)CC3)C2)ccn1 ZINC001164963299 722058268 /nfs/dbraw/zinc/05/82/68/722058268.db2.gz WBDAWXXRGQCQAK-UHFFFAOYSA-N 1 1 422.577 2.981 20 0 HFADMO CC(C)n1cnc2cnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc21 ZINC001164960035 722059672 /nfs/dbraw/zinc/05/96/72/722059672.db2.gz DXKRMSXWOOXUJV-UHFFFAOYSA-N 1 1 421.549 2.921 20 0 HFADMO F[C@H](Oc1ccc(Cl)nn1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164965836 722062554 /nfs/dbraw/zinc/06/25/54/722062554.db2.gz LVSZVHJQVIRZCJ-IBGZPJMESA-N 1 1 421.904 2.772 20 0 HFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C(=O)N(c4cnn(C)c4)C[C@@H]3C2)nc1 ZINC001164982938 722095984 /nfs/dbraw/zinc/09/59/84/722095984.db2.gz SHCGLOWWMNYQMP-SESVDKBCSA-N 1 1 408.550 2.851 20 0 HFADMO FC(F)(c1cc(Cl)ncn1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978229 722098944 /nfs/dbraw/zinc/09/89/44/722098944.db2.gz GGPDFVPBPVEUQB-JKSUJKDBSA-N 1 1 409.868 2.797 20 0 HFADMO COC(=O)c1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1Cl ZINC001164983991 722102416 /nfs/dbraw/zinc/10/24/16/722102416.db2.gz RLEWALPZTFCVOP-LPHOPBHVSA-N 1 1 416.909 2.644 20 0 HFADMO FC(F)(c1cnc(Cl)cn1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976325 722102999 /nfs/dbraw/zinc/10/29/99/722102999.db2.gz CPKRZQWLSNUEGJ-HOTGVXAUSA-N 1 1 409.868 2.797 20 0 HFADMO Clc1nc2ncccc2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984699 722104704 /nfs/dbraw/zinc/10/47/04/722104704.db2.gz TZNCDAWGXOVPMB-FUHWJXTLSA-N 1 1 410.909 2.801 20 0 HFADMO Clc1nc2cnccc2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979262 722109275 /nfs/dbraw/zinc/10/92/75/722109275.db2.gz PRFXMGAIRQYLNR-APWZRJJASA-N 1 1 410.909 2.801 20 0 HFADMO COc1ccc2cnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164972595 722109350 /nfs/dbraw/zinc/10/93/50/722109350.db2.gz GCWHCONYJIONGY-UGKGYDQZSA-N 1 1 405.502 2.761 20 0 HFADMO CC(C)(C)C(=O)Nc1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164975071 722117364 /nfs/dbraw/zinc/11/73/64/722117364.db2.gz JFYQNOILPPWTML-RBUKOAKNSA-N 1 1 424.549 2.584 20 0 HFADMO COc1nc(Cl)nc(C)c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975788 722118586 /nfs/dbraw/zinc/11/85/86/722118586.db2.gz KYMMBIFXFWDEII-IAGOWNOFSA-N 1 1 403.914 2.569 20 0 HFADMO c1ccc(-c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)nc1 ZINC001164983884 722147865 /nfs/dbraw/zinc/14/78/65/722147865.db2.gz VYKTVTDETINTRT-UGKGYDQZSA-N 1 1 402.502 2.661 20 0 HFADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)cc(C(C)(C)C)n2)CC3)CC1 ZINC001165001061 722236367 /nfs/dbraw/zinc/23/63/67/722236367.db2.gz AJPABFZYNPADML-UHFFFAOYSA-N 1 1 415.973 2.575 20 0 HFADMO C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(F)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000793014285 1078048927 /nfs/dbraw/zinc/04/89/27/1078048927.db2.gz MKTXJXQWXPFQOU-PXAZEXFGSA-N 1 1 408.836 2.761 20 0 HFADMO C[C@H]1CC[C@@H]([N@H+]2C[C@H]3C[C@H]4[C@@](CN(Cc5ccc(Cl)cc5)S4(=O)=O)(C2)O3)C1 ZINC001170139444 1078051743 /nfs/dbraw/zinc/05/17/43/1078051743.db2.gz VAMRXPFWHMENFW-UYYRZJCPSA-N 1 1 410.967 2.886 20 0 HFADMO COc1ccc(CCN2C(=O)C[C@H]([N@@H+]3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)C2=O)cc1 ZINC000790587455 1078062583 /nfs/dbraw/zinc/06/25/83/1078062583.db2.gz UYNYRACEHMUHER-TXPKVOOTSA-N 1 1 411.329 2.881 20 0 HFADMO COc1ccc(CCN2C(=O)C[C@H]([N@H+]3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)C2=O)cc1 ZINC000790587455 1078062587 /nfs/dbraw/zinc/06/25/87/1078062587.db2.gz UYNYRACEHMUHER-TXPKVOOTSA-N 1 1 411.329 2.881 20 0 HFADMO C[C@H](CNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)[N@H+]1CCCC[C@H]1C ZINC000793049993 1078056888 /nfs/dbraw/zinc/05/68/88/1078056888.db2.gz CIDXBOUMSDVWAB-JYWFKMLOSA-N 1 1 424.545 2.957 20 0 HFADMO Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)Nc2cccc(Br)n2)CC1 ZINC000793067385 1078061253 /nfs/dbraw/zinc/06/12/53/1078061253.db2.gz VTPPJFAJTUDHJT-UHFFFAOYSA-N 1 1 419.279 2.556 20 0 HFADMO O=C1c2cc(Br)ccc2N(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000772827637 1078062437 /nfs/dbraw/zinc/06/24/37/1078062437.db2.gz JKTXPSLJQFLUDZ-CXAGYDPISA-N 1 1 418.335 2.885 20 0 HFADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000793121254 1078070511 /nfs/dbraw/zinc/07/05/11/1078070511.db2.gz RUOPVYLYYZSZHE-CDHQVMDDSA-N 1 1 421.501 2.536 20 0 HFADMO O=C(NCc1c[nH+]c2n1CCCC2)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000793108887 1078080441 /nfs/dbraw/zinc/08/04/41/1078080441.db2.gz QDRYMNYQJMKAHT-UHFFFAOYSA-N 1 1 402.545 2.953 20 0 HFADMO CN(CCC(=O)NCC[N@@H+]1CCc2sccc2C1)C(=O)OCc1ccccc1 ZINC000793159502 1078084837 /nfs/dbraw/zinc/08/48/37/1078084837.db2.gz POMZWAHQIKZWBU-UHFFFAOYSA-N 1 1 401.532 2.881 20 0 HFADMO CN(CCC(=O)NCC[N@H+]1CCc2sccc2C1)C(=O)OCc1ccccc1 ZINC000793159502 1078084847 /nfs/dbraw/zinc/08/48/47/1078084847.db2.gz POMZWAHQIKZWBU-UHFFFAOYSA-N 1 1 401.532 2.881 20 0 HFADMO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC000790757289 1078111743 /nfs/dbraw/zinc/11/17/43/1078111743.db2.gz VJNGQKRFABULIT-JQWIXIFHSA-N 1 1 420.539 2.931 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000793267080 1078114332 /nfs/dbraw/zinc/11/43/32/1078114332.db2.gz SIBQKYIMVSYOSB-CABCVRRESA-N 1 1 412.328 2.965 20 0 HFADMO CC[C@@H](C)CC[C@@H](O)CC(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000793238084 1078117430 /nfs/dbraw/zinc/11/74/30/1078117430.db2.gz NBHCWKYRAIIXKI-SJLPKXTDSA-N 1 1 405.539 2.599 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[N@H+](CCOC(=O)c2cccc(-c3nc[nH]n3)c2)CC1 ZINC000793280289 1078127022 /nfs/dbraw/zinc/12/70/22/1078127022.db2.gz ZUHQMGWNVRFIHK-UHFFFAOYSA-N 1 1 415.494 2.571 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[N@@H+](CCOC(=O)c2cccc(-c3nc[nH]n3)c2)CC1 ZINC000793280289 1078127024 /nfs/dbraw/zinc/12/70/24/1078127024.db2.gz ZUHQMGWNVRFIHK-UHFFFAOYSA-N 1 1 415.494 2.571 20 0 HFADMO O=C(Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790800998 1078139105 /nfs/dbraw/zinc/13/91/05/1078139105.db2.gz SIXMPUYMLVCROI-CTNGQTDRSA-N 1 1 416.485 2.857 20 0 HFADMO COC(=O)[C@@]1(NC(=O)c2cccnc2OC(C)C)CCC[N@H+](Cc2ccccc2)C1 ZINC000790848962 1078147966 /nfs/dbraw/zinc/14/79/66/1078147966.db2.gz YNFIAJTXMDJFJX-HSZRJFAPSA-N 1 1 411.502 2.806 20 0 HFADMO COC(=O)[C@@]1(NC(=O)c2cccnc2OC(C)C)CCC[N@@H+](Cc2ccccc2)C1 ZINC000790848962 1078147971 /nfs/dbraw/zinc/14/79/71/1078147971.db2.gz YNFIAJTXMDJFJX-HSZRJFAPSA-N 1 1 411.502 2.806 20 0 HFADMO COc1ccc([C@@H]2C[C@H]2NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000793379155 1078154098 /nfs/dbraw/zinc/15/40/98/1078154098.db2.gz FENFOPPLQDXCHF-YPIGPJMWSA-N 1 1 409.530 2.733 20 0 HFADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(F)(F)Cc3ccccc3)CC2)CC1 ZINC000793465756 1078181357 /nfs/dbraw/zinc/18/13/57/1078181357.db2.gz YDRADCUKBGVKMG-UHFFFAOYSA-N 1 1 407.505 2.657 20 0 HFADMO O=C(NCC(F)(F)F)C1CC[NH+](CN2CC[C@@H](CCc3ccccc3)C2=O)CC1 ZINC000793483475 1078189672 /nfs/dbraw/zinc/18/96/72/1078189672.db2.gz LIIUERMQGONELR-GOSISDBHSA-N 1 1 411.468 2.816 20 0 HFADMO Cc1nc(SC(F)F)sc1CC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000793483427 1078189682 /nfs/dbraw/zinc/18/96/82/1078189682.db2.gz MQFZBFYBQQDOFA-CQSZACIVSA-N 1 1 418.579 2.936 20 0 HFADMO Cc1nc(SC(F)F)sc1CC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000793483427 1078189684 /nfs/dbraw/zinc/18/96/84/1078189684.db2.gz MQFZBFYBQQDOFA-CQSZACIVSA-N 1 1 418.579 2.936 20 0 HFADMO Cc1nc(C[NH+]2CCC(C(=O)N(C)C3CN(C(=O)OC(C)(C)C)C3)CC2)cs1 ZINC000793491614 1078200735 /nfs/dbraw/zinc/20/07/35/1078200735.db2.gz UKVLBELMGFGHPU-UHFFFAOYSA-N 1 1 408.568 2.741 20 0 HFADMO Cc1nc(SC(F)F)sc1CC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000793492653 1078200995 /nfs/dbraw/zinc/20/09/95/1078200995.db2.gz DZKBHUZIGHSEEQ-UHFFFAOYSA-N 1 1 406.568 2.793 20 0 HFADMO Cc1nc(SC(F)F)sc1CC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000793492653 1078200998 /nfs/dbraw/zinc/20/09/98/1078200998.db2.gz DZKBHUZIGHSEEQ-UHFFFAOYSA-N 1 1 406.568 2.793 20 0 HFADMO CC[NH+]1CCN(CCCCNC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000793493645 1078201586 /nfs/dbraw/zinc/20/15/86/1078201586.db2.gz PCDCLVLDAUDXLV-OALUTQOASA-N 1 1 410.603 2.556 20 0 HFADMO C[N@H+](CC(=O)NCCN1CCc2ccccc21)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001170434675 1078208116 /nfs/dbraw/zinc/20/81/16/1078208116.db2.gz LDXONEGVDXKORL-UHFFFAOYSA-N 1 1 416.566 2.545 20 0 HFADMO C[N@@H+](CC(=O)NCCN1CCc2ccccc21)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001170434675 1078208120 /nfs/dbraw/zinc/20/81/20/1078208120.db2.gz LDXONEGVDXKORL-UHFFFAOYSA-N 1 1 416.566 2.545 20 0 HFADMO C[C@H]([N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C(C)(C)O ZINC001170434648 1078207848 /nfs/dbraw/zinc/20/78/48/1078207848.db2.gz KHZWZGCOQFMBGX-ZDUSSCGKSA-N 1 1 403.445 2.572 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000793552807 1078209154 /nfs/dbraw/zinc/20/91/54/1078209154.db2.gz KEZSJJUFYFDBJM-XJKSGUPXSA-N 1 1 416.526 2.598 20 0 HFADMO COCC1(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793578237 1078213257 /nfs/dbraw/zinc/21/32/57/1078213257.db2.gz WWMZOTBCQQFHQO-SFHVURJKSA-N 1 1 411.587 2.983 20 0 HFADMO COCCCNC(=O)C1CC[NH+](Cc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000793583636 1078214969 /nfs/dbraw/zinc/21/49/69/1078214969.db2.gz HIKQGIQRGAICIM-UHFFFAOYSA-N 1 1 404.942 2.950 20 0 HFADMO COC(=O)CC[N@@H+](Cc1ccc(C(=O)OC)cc1Br)C1CCOCC1 ZINC000793586831 1078215698 /nfs/dbraw/zinc/21/56/98/1078215698.db2.gz FUBONKWULIXBHV-UHFFFAOYSA-N 1 1 414.296 2.780 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CN2C(=O)NC3(C[C@H](C)C[C@@H](C)C3)C2=O)C1 ZINC000793591319 1078217385 /nfs/dbraw/zinc/21/73/85/1078217385.db2.gz ACUKCGHPULYAOF-DRSNIGMVSA-N 1 1 413.518 2.507 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CN2C(=O)NC3(C[C@H](C)C[C@@H](C)C3)C2=O)C1 ZINC000793591319 1078217386 /nfs/dbraw/zinc/21/73/86/1078217386.db2.gz ACUKCGHPULYAOF-DRSNIGMVSA-N 1 1 413.518 2.507 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CN2C(=O)N[C@](C)(C3CCCCC3)C2=O)C1 ZINC000793596775 1078219000 /nfs/dbraw/zinc/21/90/00/1078219000.db2.gz ITAWBGSNGGTOTL-DHIUTWEWSA-N 1 1 413.518 2.651 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CN2C(=O)N[C@](C)(C3CCCCC3)C2=O)C1 ZINC000793596775 1078219004 /nfs/dbraw/zinc/21/90/04/1078219004.db2.gz ITAWBGSNGGTOTL-DHIUTWEWSA-N 1 1 413.518 2.651 20 0 HFADMO COCCN(C)c1ccc(C[N@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cn1 ZINC000793605948 1078223183 /nfs/dbraw/zinc/22/31/83/1078223183.db2.gz SPXLCCUIXBFYLG-QFIPXVFZSA-N 1 1 404.555 2.997 20 0 HFADMO CC[N@@H+](CCC1CCN(C(=O)C(=O)NCc2ccc([C@H](C)O)cc2)CC1)CC(C)C ZINC000793629552 1078233523 /nfs/dbraw/zinc/23/35/23/1078233523.db2.gz IPZCUIOHORKNNW-IBGZPJMESA-N 1 1 417.594 2.963 20 0 HFADMO C[C@H](O)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000793648271 1078240992 /nfs/dbraw/zinc/24/09/92/1078240992.db2.gz FYPUZFOJBCTAIZ-FGSXEWAUSA-N 1 1 409.530 2.525 20 0 HFADMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000793685815 1078255996 /nfs/dbraw/zinc/25/59/96/1078255996.db2.gz CZVLFNNIPFBBET-BVOGOJNSSA-N 1 1 422.529 2.521 20 0 HFADMO C[C@@H](COc1ccccc1)NC(=O)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000793687909 1078256843 /nfs/dbraw/zinc/25/68/43/1078256843.db2.gz ROWQPYDJEXKGPV-FAKFISEUSA-N 1 1 423.557 2.843 20 0 HFADMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)C1 ZINC000793687632 1078256921 /nfs/dbraw/zinc/25/69/21/1078256921.db2.gz PIRBIPGAEURXMC-GOEBONIOSA-N 1 1 408.568 2.767 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C[C@H](c4cccnc4)CC3=O)CC[C@H]21 ZINC000793711662 1078260824 /nfs/dbraw/zinc/26/08/24/1078260824.db2.gz WLRPHXXRCOPQDS-GUDVDZBRSA-N 1 1 400.523 2.686 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C[C@H](c4cccnc4)CC3=O)CC[C@H]21 ZINC000793711662 1078260831 /nfs/dbraw/zinc/26/08/31/1078260831.db2.gz WLRPHXXRCOPQDS-GUDVDZBRSA-N 1 1 400.523 2.686 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000793714578 1078262586 /nfs/dbraw/zinc/26/25/86/1078262586.db2.gz PRPKCAUTHJUTQX-NTKDMRAZSA-N 1 1 409.530 2.599 20 0 HFADMO CC[C@@H](CSc1ccccc1)NC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000793808076 1078306264 /nfs/dbraw/zinc/30/62/64/1078306264.db2.gz CTANGTGNBIEMRO-SFHVURJKSA-N 1 1 423.542 2.879 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000793800961 1078302611 /nfs/dbraw/zinc/30/26/11/1078302611.db2.gz JBLRDRAHKPYZHF-HNAYVOBHSA-N 1 1 421.476 2.736 20 0 HFADMO CC[C@H]1c2ccsc2CCN1C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000793807731 1078306336 /nfs/dbraw/zinc/30/63/36/1078306336.db2.gz IZTYMUAVWSIROG-KRWDZBQOSA-N 1 1 409.515 2.789 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H](C)C(C)(C)c1ccccc1 ZINC000793807770 1078306346 /nfs/dbraw/zinc/30/63/46/1078306346.db2.gz SRJLZEUHWPODKU-MRXNPFEDSA-N 1 1 405.502 2.674 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000793804939 1078304578 /nfs/dbraw/zinc/30/45/78/1078304578.db2.gz LAFHUFAENPBRQV-PXNSSMCTSA-N 1 1 421.476 2.784 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000793806920 1078305822 /nfs/dbraw/zinc/30/58/22/1078305822.db2.gz NPCXWFVGADNDLF-UHFFFAOYSA-N 1 1 421.476 2.737 20 0 HFADMO CC[C@H](NC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C)c1ccc(F)cc1F ZINC000793809116 1078306499 /nfs/dbraw/zinc/30/64/99/1078306499.db2.gz XLSPQJPYFFHMRC-SFHVURJKSA-N 1 1 413.428 2.738 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCSCc1ccnc(Cl)c1 ZINC000793768815 1078306638 /nfs/dbraw/zinc/30/66/38/1078306638.db2.gz LHNDITLMOAGGBF-UHFFFAOYSA-N 1 1 404.927 2.934 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000793777840 1078309217 /nfs/dbraw/zinc/30/92/17/1078309217.db2.gz HEDORUXGBAUMRG-QKNQBKEWSA-N 1 1 409.530 2.830 20 0 HFADMO C[N@@H+](Cc1ccccc1CNC(=O)C(=O)NCCOc1cccnc1)C1CCCCC1 ZINC000793838172 1078311076 /nfs/dbraw/zinc/31/10/76/1078311076.db2.gz QVUNDCHLIQQXRG-UHFFFAOYSA-N 1 1 424.545 2.658 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000793845346 1078312697 /nfs/dbraw/zinc/31/26/97/1078312697.db2.gz ZGBROVXHMKNLQV-SFHVURJKSA-N 1 1 414.937 2.688 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000793845304 1078312920 /nfs/dbraw/zinc/31/29/20/1078312920.db2.gz YSKXIOOVBKUGKI-OAQYLSRUSA-N 1 1 422.573 2.787 20 0 HFADMO C[C@@H](O)C[N@H+]1CCN(C(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)[C@H](C)C1 ZINC000793872429 1078329332 /nfs/dbraw/zinc/32/93/32/1078329332.db2.gz ABPILVYEKOYGKA-QZTJIDSGSA-N 1 1 411.587 2.765 20 0 HFADMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000793874053 1078330563 /nfs/dbraw/zinc/33/05/63/1078330563.db2.gz KORMLIOHJPUUIQ-SJORKVTESA-N 1 1 417.550 2.901 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000793874053 1078330565 /nfs/dbraw/zinc/33/05/65/1078330565.db2.gz KORMLIOHJPUUIQ-SJORKVTESA-N 1 1 417.550 2.901 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)C[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000793875478 1078331064 /nfs/dbraw/zinc/33/10/64/1078331064.db2.gz RLQYPXBIEAANSN-ZSYWTGECSA-N 1 1 411.587 2.573 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@H](C)C1 ZINC000793874871 1078331238 /nfs/dbraw/zinc/33/12/38/1078331238.db2.gz OUDWQOJGQKXFHX-AOIWGVFYSA-N 1 1 405.539 2.556 20 0 HFADMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000793901914 1078333217 /nfs/dbraw/zinc/33/32/17/1078333217.db2.gz OXTUSEIYXXBCRA-RBUKOAKNSA-N 1 1 414.594 2.695 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NOCc1ccc(F)cc1Br ZINC000793891600 1078343206 /nfs/dbraw/zinc/34/32/06/1078343206.db2.gz OSELFMIWDIMWRH-UHFFFAOYSA-N 1 1 422.258 2.986 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1Cc2ccnn2C[C@H](C(=O)NCC2CC2)C1 ZINC001170440523 1078350507 /nfs/dbraw/zinc/35/05/07/1078350507.db2.gz DCZRISBGEWWAKB-RTBURBONSA-N 1 1 410.518 2.591 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1Cc2ccnn2C[C@H](C(=O)NCC2CC2)C1 ZINC001170440523 1078350512 /nfs/dbraw/zinc/35/05/12/1078350512.db2.gz DCZRISBGEWWAKB-RTBURBONSA-N 1 1 410.518 2.591 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C ZINC000793946749 1078355284 /nfs/dbraw/zinc/35/52/84/1078355284.db2.gz BVNKTITWSBZFDQ-QWFCFKBJSA-N 1 1 407.599 2.667 20 0 HFADMO Cc1ccccc1CN1CCCN(C(=O)C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)CC1 ZINC001170443803 1078381123 /nfs/dbraw/zinc/38/11/23/1078381123.db2.gz TWEWKGKIFWXJKB-VWNXMTODSA-N 1 1 403.611 2.908 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1c(C)noc1C ZINC001170444686 1078391156 /nfs/dbraw/zinc/39/11/56/1078391156.db2.gz UGHVDAKQEQOOFE-XQFWAAQXSA-N 1 1 413.518 2.926 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H]2COC[C@@H](CC(=O)NC(C)C)[C@@H]2C1 ZINC001170444959 1078397987 /nfs/dbraw/zinc/39/79/87/1078397987.db2.gz UTMXETMYSJJXCI-WTGUMLROSA-N 1 1 402.535 2.846 20 0 HFADMO Cc1cnc([C@H](C)[N@H+]2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1 ZINC000794293328 1078402845 /nfs/dbraw/zinc/40/28/45/1078402845.db2.gz MKULXOVWVYDHJU-ZWKOTPCHSA-N 1 1 417.554 2.637 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000794404161 1078436351 /nfs/dbraw/zinc/43/63/51/1078436351.db2.gz IHANBZBWQDARBQ-OALUTQOASA-N 1 1 420.554 2.938 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000794404160 1078436408 /nfs/dbraw/zinc/43/64/08/1078436408.db2.gz IHANBZBWQDARBQ-MOPGFXCFSA-N 1 1 420.554 2.938 20 0 HFADMO CC[N@H+]1CCN(C(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)[C@@H](C)C1 ZINC000804379801 1078455531 /nfs/dbraw/zinc/45/55/31/1078455531.db2.gz BICOKSOQHNPPDF-TWQQJCIXSA-N 1 1 408.531 2.952 20 0 HFADMO CC[N@H+]1CCN(C(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)[C@H](C)C1 ZINC000804379799 1078455583 /nfs/dbraw/zinc/45/55/83/1078455583.db2.gz BICOKSOQHNPPDF-BAACNHRGSA-N 1 1 408.531 2.952 20 0 HFADMO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[N@H+](CC)C[C@H]2C)ccc1Cl ZINC000804380163 1078455590 /nfs/dbraw/zinc/45/55/90/1078455590.db2.gz SCRIWXFVVUIYPB-CQSZACIVSA-N 1 1 401.960 2.537 20 0 HFADMO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[N@@H+](CC)C[C@H]2C)ccc1Cl ZINC000804380163 1078455595 /nfs/dbraw/zinc/45/55/95/1078455595.db2.gz SCRIWXFVVUIYPB-CQSZACIVSA-N 1 1 401.960 2.537 20 0 HFADMO CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000804650972 1078477265 /nfs/dbraw/zinc/47/72/65/1078477265.db2.gz DANMOKJJPOSRIT-HXUWFJFHSA-N 1 1 409.571 2.739 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C[C@H](C)NC(=O)OC(C)(C)C ZINC001129811950 1078510013 /nfs/dbraw/zinc/51/00/13/1078510013.db2.gz BMWCCGMFDJBCNX-DFQSSKMNSA-N 1 1 419.566 2.943 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(NC(=O)OC(C)(C)C)CC1 ZINC001129813327 1078511345 /nfs/dbraw/zinc/51/13/45/1078511345.db2.gz MPQXRLXXMRMOEI-RTBURBONSA-N 1 1 417.550 2.697 20 0 HFADMO COc1ccc(/C=C/C(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1O ZINC000804448896 1078516357 /nfs/dbraw/zinc/51/63/57/1078516357.db2.gz RDJYZLRYJBEIDN-DQACCSDVSA-N 1 1 421.541 2.833 20 0 HFADMO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCC2(c3ccccn3)CCC2)CC1 ZINC000804696233 1078537594 /nfs/dbraw/zinc/53/75/94/1078537594.db2.gz KMKHWONGNBIKFP-UHFFFAOYSA-N 1 1 402.539 2.609 20 0 HFADMO Cc1ccccc1[C@@H](O)C1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804509701 1078544840 /nfs/dbraw/zinc/54/48/40/1078544840.db2.gz BZWJRWFQOPRJAV-UKILVPOCSA-N 1 1 408.542 2.904 20 0 HFADMO CCC(=O)c1ccc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c(S(N)(=O)=O)c1 ZINC000804517297 1078558004 /nfs/dbraw/zinc/55/80/04/1078558004.db2.gz RTHMXHVJSBZXNL-GOSISDBHSA-N 1 1 401.532 2.637 20 0 HFADMO Cc1ccccc1[C@H](O)C1CCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC000804519177 1078559491 /nfs/dbraw/zinc/55/94/91/1078559491.db2.gz OOXVTWSMSUUQNO-HXUWFJFHSA-N 1 1 407.518 2.929 20 0 HFADMO C[C@@H](NS(=O)(=O)c1cccc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)c1)c1ccccc1 ZINC001129903678 1078576160 /nfs/dbraw/zinc/57/61/60/1078576160.db2.gz AXCYWFZGXUSEOX-YLJYHZDGSA-N 1 1 415.559 2.892 20 0 HFADMO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC001129906078 1078578370 /nfs/dbraw/zinc/57/83/70/1078578370.db2.gz WABODPORWRTOPR-ZWKOTPCHSA-N 1 1 407.580 2.724 20 0 HFADMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000804730155 1078588776 /nfs/dbraw/zinc/58/87/76/1078588776.db2.gz YGGXBBGJEASFPV-WMZOPIPTSA-N 1 1 409.452 2.622 20 0 HFADMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000804731263 1078589922 /nfs/dbraw/zinc/58/99/22/1078589922.db2.gz LCFNYZPBWJTGFE-WMZOPIPTSA-N 1 1 409.452 2.622 20 0 HFADMO COc1ccc(C2N=NC(=S)N2CCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000804562772 1078598038 /nfs/dbraw/zinc/59/80/38/1078598038.db2.gz GEXFMEQGCVFANG-SJPCQFCGSA-N 1 1 415.563 2.716 20 0 HFADMO COCC(C)(C)[NH+]1CCN(C(=O)c2nn(-c3c(C)cccc3F)c3c2CCC3)CC1 ZINC001129925033 1078616408 /nfs/dbraw/zinc/61/64/08/1078616408.db2.gz CKISOSIXAVTJKF-UHFFFAOYSA-N 1 1 414.525 2.991 20 0 HFADMO C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@H]1C(=O)OC(C)(C)C ZINC001129951287 1078626894 /nfs/dbraw/zinc/62/68/94/1078626894.db2.gz MCULSEIOLHJOEK-YZGWKJHDSA-N 1 1 402.535 2.856 20 0 HFADMO C[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@H]1C(=O)OC(C)(C)C ZINC001129951287 1078626899 /nfs/dbraw/zinc/62/68/99/1078626899.db2.gz MCULSEIOLHJOEK-YZGWKJHDSA-N 1 1 402.535 2.856 20 0 HFADMO CC(=O)N1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC001129697840 1078656554 /nfs/dbraw/zinc/65/65/54/1078656554.db2.gz UQQLWFLHNRHTDK-GOSISDBHSA-N 1 1 408.340 2.541 20 0 HFADMO C[C@@H]1CN(C(=O)CN2c3ccccc3OC(F)(F)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC001129703107 1078661446 /nfs/dbraw/zinc/66/14/46/1078661446.db2.gz AJFFJQTVOZZEPU-MRXNPFEDSA-N 1 1 415.440 2.738 20 0 HFADMO C[C@@H]1CN(C(=O)CN2c3ccccc3OC(F)(F)C2=O)CC[N@H+]1Cc1ccccc1 ZINC001129703107 1078661452 /nfs/dbraw/zinc/66/14/52/1078661452.db2.gz AJFFJQTVOZZEPU-MRXNPFEDSA-N 1 1 415.440 2.738 20 0 HFADMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)C1 ZINC001129678554 1078666563 /nfs/dbraw/zinc/66/65/63/1078666563.db2.gz BWDQPJQMWDJVOW-WRDGEJPTSA-N 1 1 406.490 2.872 20 0 HFADMO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)NCc2ccccc2N(C)CC)CC1 ZINC000804833009 1078674308 /nfs/dbraw/zinc/67/43/08/1078674308.db2.gz BPELCOJGOLVWJH-UHFFFAOYSA-N 1 1 402.583 2.729 20 0 HFADMO Cc1noc(-c2cccnc2N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000804834079 1078675940 /nfs/dbraw/zinc/67/59/40/1078675940.db2.gz WKXHSIGKBKLLAV-INIZCTEOSA-N 1 1 414.510 2.571 20 0 HFADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)CN1C(=S)N=NC1c1cccs1 ZINC000804870260 1078693538 /nfs/dbraw/zinc/69/35/38/1078693538.db2.gz VVEKXRKPNPOLGT-UHFFFAOYSA-N 1 1 405.549 2.869 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000804644637 1078697160 /nfs/dbraw/zinc/69/71/60/1078697160.db2.gz MNJBSJFAJRROJS-KNQAVFIVSA-N 1 1 422.573 2.928 20 0 HFADMO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)no1 ZINC000804644164 1078698379 /nfs/dbraw/zinc/69/83/79/1078698379.db2.gz YGYVLXWEXUXJKJ-PBEJRMEISA-N 1 1 410.518 2.816 20 0 HFADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](c3ccccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC000804643970 1078698665 /nfs/dbraw/zinc/69/86/65/1078698665.db2.gz UXBJSVBQMAWZDD-GIVPXCGWSA-N 1 1 406.530 2.567 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000804906269 1078728955 /nfs/dbraw/zinc/72/89/55/1078728955.db2.gz HLGVPXYRIGQUBL-IBGZPJMESA-N 1 1 413.440 2.572 20 0 HFADMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000804892595 1078750639 /nfs/dbraw/zinc/75/06/39/1078750639.db2.gz VIAMIUBANRTYQR-LPHOPBHVSA-N 1 1 402.539 2.742 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000804896627 1078752821 /nfs/dbraw/zinc/75/28/21/1078752821.db2.gz SHOQYGYIIYDHDV-KUHUBIRLSA-N 1 1 413.440 2.570 20 0 HFADMO CCc1ccc([C@H](O)CNC(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC000804952085 1078779853 /nfs/dbraw/zinc/77/98/53/1078779853.db2.gz IJPQWOLDEAHNQP-BJKOFHAPSA-N 1 1 424.589 2.960 20 0 HFADMO CCc1ccc([C@H](O)CNC(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000804952085 1078779858 /nfs/dbraw/zinc/77/98/58/1078779858.db2.gz IJPQWOLDEAHNQP-BJKOFHAPSA-N 1 1 424.589 2.960 20 0 HFADMO CCc1ccc([C@H](O)CNC(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000804952085 1078779863 /nfs/dbraw/zinc/77/98/63/1078779863.db2.gz IJPQWOLDEAHNQP-BJKOFHAPSA-N 1 1 424.589 2.960 20 0 HFADMO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000804927567 1078783911 /nfs/dbraw/zinc/78/39/11/1078783911.db2.gz HEBWIRGVMSYWNG-LEWJYISDSA-N 1 1 417.550 2.793 20 0 HFADMO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000804927567 1078783913 /nfs/dbraw/zinc/78/39/13/1078783913.db2.gz HEBWIRGVMSYWNG-LEWJYISDSA-N 1 1 417.550 2.793 20 0 HFADMO CC(=O)OCCCS(=O)(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000804960039 1078800398 /nfs/dbraw/zinc/80/03/98/1078800398.db2.gz MDRGYDHCKPBBNX-UHFFFAOYSA-N 1 1 422.469 2.542 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804970712 1078805988 /nfs/dbraw/zinc/80/59/88/1078805988.db2.gz SXNRMOFJQDQJIT-LPHOPBHVSA-N 1 1 413.440 2.788 20 0 HFADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2nc(C)n(C)c2Br)C1 ZINC000804997513 1078846414 /nfs/dbraw/zinc/84/64/14/1078846414.db2.gz NPYHDARTUHBHJZ-CYBMUJFWSA-N 1 1 421.405 2.670 20 0 HFADMO COC(=O)N1CCC[C@H](NC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000805051234 1078865354 /nfs/dbraw/zinc/86/53/54/1078865354.db2.gz UFMMWUJLUGQHHP-UGKGYDQZSA-N 1 1 400.523 2.525 20 0 HFADMO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000805098501 1078885379 /nfs/dbraw/zinc/88/53/79/1078885379.db2.gz IAXZSPQVGRNGSA-KBXCAEBGSA-N 1 1 401.429 2.644 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000805098526 1078885487 /nfs/dbraw/zinc/88/54/87/1078885487.db2.gz IAXZSPQVGRNGSA-KSSFIOAISA-N 1 1 401.429 2.644 20 0 HFADMO COC1(CNC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CCC(c2ccccc2)CC1 ZINC000805074810 1078906571 /nfs/dbraw/zinc/90/65/71/1078906571.db2.gz QBBZJFKOIDQMKR-AZXFEVOCSA-N 1 1 401.551 2.892 20 0 HFADMO CCc1ccc([C@@H](O)CNC(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000805149304 1078946193 /nfs/dbraw/zinc/94/61/93/1078946193.db2.gz BKJRRXNJBVFBES-XXBNENTESA-N 1 1 410.562 2.792 20 0 HFADMO Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)C[C@@H]3CCC[N@H+]3C)c2)cc1 ZINC001130097832 1078947968 /nfs/dbraw/zinc/94/79/68/1078947968.db2.gz GNPBPCDKLHOPPQ-FQEVSTJZSA-N 1 1 415.559 2.986 20 0 HFADMO COC[C@H](C)n1c(SCC(=O)N(C)C[C@@H]2CCC[N@H+]2C)nnc1-c1ccccc1 ZINC001130097849 1078948076 /nfs/dbraw/zinc/94/80/76/1078948076.db2.gz GWUNIOXBKJSMFE-WMZOPIPTSA-N 1 1 417.579 2.797 20 0 HFADMO COc1ccc(-c2nc(C)c(C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)s2)cc1OC ZINC000747231815 1078951801 /nfs/dbraw/zinc/95/18/01/1078951801.db2.gz OUTBUWOEYYZAJI-JKSUJKDBSA-N 1 1 417.531 2.729 20 0 HFADMO C[N@@H+](CCNC(=O)NC[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C)C1CC1 ZINC000805185343 1078966479 /nfs/dbraw/zinc/96/64/79/1078966479.db2.gz ZLVHNKOLURMDEN-IBGZPJMESA-N 1 1 402.539 2.914 20 0 HFADMO CN(C)C(=O)COc1ccccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001130122529 1078992218 /nfs/dbraw/zinc/99/22/18/1078992218.db2.gz QCUROCDAMHIILC-CTNGQTDRSA-N 1 1 407.514 2.500 20 0 HFADMO COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000747236098 1078995150 /nfs/dbraw/zinc/99/51/50/1078995150.db2.gz AEZSFODOBXJUOK-UZRURVBFSA-N 1 1 406.479 2.593 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000747237949 1078997812 /nfs/dbraw/zinc/99/78/12/1078997812.db2.gz BGZIQRLWOSVKKW-KQPPXVQYSA-N 1 1 414.527 2.598 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000747237949 1078997814 /nfs/dbraw/zinc/99/78/14/1078997814.db2.gz BGZIQRLWOSVKKW-KQPPXVQYSA-N 1 1 414.527 2.598 20 0 HFADMO CC[C@H](CNS(=O)(=O)c1ccc(F)c(C(=O)OC)c1)[N@@H+]1CCc2ccccc2C1 ZINC000747238842 1079026094 /nfs/dbraw/zinc/02/60/94/1079026094.db2.gz IDWOCUHQBYLJHO-QGZVFWFLSA-N 1 1 420.506 2.728 20 0 HFADMO CC[C@H](CNS(=O)(=O)c1ccc(F)c(C(=O)OC)c1)[N@H+]1CCc2ccccc2C1 ZINC000747238842 1079026101 /nfs/dbraw/zinc/02/61/01/1079026101.db2.gz IDWOCUHQBYLJHO-QGZVFWFLSA-N 1 1 420.506 2.728 20 0 HFADMO CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)C1 ZINC000805312753 1079032837 /nfs/dbraw/zinc/03/28/37/1079032837.db2.gz WHJDZPFCIVITMW-MSOLQXFVSA-N 1 1 408.543 3.000 20 0 HFADMO CCCS(=O)(=O)CC[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001170479307 1079029735 /nfs/dbraw/zinc/02/97/35/1079029735.db2.gz IKHAWEMXNDPEQU-HNNXBMFYSA-N 1 1 421.344 2.980 20 0 HFADMO O=S(=O)(/C=C/c1ccc(F)cc1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000747242233 1079066435 /nfs/dbraw/zinc/06/64/35/1079066435.db2.gz HAHLLNUJUUJKSC-WOJGMQOQSA-N 1 1 403.523 2.928 20 0 HFADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2nc(-c3cccnc3Cl)ns2)cn1 ZINC001130206200 1079084029 /nfs/dbraw/zinc/08/40/29/1079084029.db2.gz JPRHULVDJHXMBT-JSGCOSHPSA-N 1 1 417.926 2.661 20 0 HFADMO O=C(NC1CCCCC1)OC[C@@H]1CCCN1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000805478380 1079092634 /nfs/dbraw/zinc/09/26/34/1079092634.db2.gz SMDPZFVCPAXBAB-KRWDZBQOSA-N 1 1 403.527 2.952 20 0 HFADMO NC(=O)c1ccc(C(=O)O[C@H]2CCC[C@H]2[NH+]2CCN(c3cccc(Cl)c3)CC2)o1 ZINC000747245008 1079089944 /nfs/dbraw/zinc/08/99/44/1079089944.db2.gz WKWDEVUWAOVXLB-SJORKVTESA-N 1 1 417.893 2.932 20 0 HFADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2c[nH]c3ccc(Br)cc23)CC1 ZINC000805558412 1079142012 /nfs/dbraw/zinc/14/20/12/1079142012.db2.gz JKLDPMDHRRRBLD-GFCCVEGCSA-N 1 1 408.296 2.640 20 0 HFADMO COc1cc(-c2nnc(COC(=O)C(C)(C)[NH+]3CCCC3)o2)cc(OC)c1OC ZINC000805613880 1079175760 /nfs/dbraw/zinc/17/57/60/1079175760.db2.gz IDCQOERHAZKWPX-UHFFFAOYSA-N 1 1 405.451 2.680 20 0 HFADMO COc1ccc(-n2c(C)nnc2SCC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC001130301074 1079192200 /nfs/dbraw/zinc/19/22/00/1079192200.db2.gz GRKVOPXWNNUGBA-OALUTQOASA-N 1 1 415.563 2.810 20 0 HFADMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001130301194 1079192674 /nfs/dbraw/zinc/19/26/74/1079192674.db2.gz IUORDHOGNKMVKI-KYJSFNMBSA-N 1 1 420.351 2.935 20 0 HFADMO CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Br ZINC001130301493 1079193848 /nfs/dbraw/zinc/19/38/48/1079193848.db2.gz PKFBAVOWDQOADV-HUUCEWRRSA-N 1 1 415.353 2.599 20 0 HFADMO CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1Br ZINC001130301493 1079193852 /nfs/dbraw/zinc/19/38/52/1079193852.db2.gz PKFBAVOWDQOADV-HUUCEWRRSA-N 1 1 415.353 2.599 20 0 HFADMO Cc1ccc(CC(=O)O[C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)n1 ZINC000805666952 1079210891 /nfs/dbraw/zinc/21/08/91/1079210891.db2.gz YYBNUTOLYACDME-APWZRJJASA-N 1 1 415.921 2.908 20 0 HFADMO CCC[N@@H+](C)[C@H](CNC(=O)N1CCN2C(=O)OCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000805752181 1079231021 /nfs/dbraw/zinc/23/10/21/1079231021.db2.gz ADYCXPWYSZTFMO-ZWKOTPCHSA-N 1 1 408.930 2.959 20 0 HFADMO C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+]3CC[C@@H](OCc4ccncc4)C3)cc2)C[C@H](C)O1 ZINC000805753016 1079231495 /nfs/dbraw/zinc/23/14/95/1079231495.db2.gz LWTPVEGZLAJJNH-SELNLUPBSA-N 1 1 424.545 2.925 20 0 HFADMO C[C@@H]1CN(c2ccc(NC(=O)C[N@H+]3CC[C@@H](OCc4ccncc4)C3)cc2)C[C@H](C)O1 ZINC000805753016 1079231503 /nfs/dbraw/zinc/23/15/03/1079231503.db2.gz LWTPVEGZLAJJNH-SELNLUPBSA-N 1 1 424.545 2.925 20 0 HFADMO CCC[N@@H+](C)[C@@H](CNC(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1)c1ccc(Cl)cc1 ZINC000805753905 1079231938 /nfs/dbraw/zinc/23/19/38/1079231938.db2.gz UKDGLGOBOSSRDD-NJAFHUGGSA-N 1 1 408.930 2.863 20 0 HFADMO CC[C@@H](C)[N@@H+](CCO)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000805789626 1079255893 /nfs/dbraw/zinc/25/58/93/1079255893.db2.gz HFCUSVWXUOXRMR-OAHLLOKOSA-N 1 1 413.474 2.699 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC(=O)N1CCO[C@H]3CCCC[C@@H]31)C2 ZINC000805792404 1079257499 /nfs/dbraw/zinc/25/74/99/1079257499.db2.gz BLKBOVHVUKWQFF-YDHSSHFGSA-N 1 1 421.582 2.879 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+]([C@H]1CCN(CC(F)(F)F)C1=O)C2 ZINC000805794382 1079258866 /nfs/dbraw/zinc/25/88/66/1079258866.db2.gz SSOXMAGJPIECFR-KSSFIOAISA-N 1 1 405.461 2.873 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+]([C@H]1CCN(CC(F)(F)F)C1=O)C2 ZINC000805794382 1079258870 /nfs/dbraw/zinc/25/88/70/1079258870.db2.gz SSOXMAGJPIECFR-KSSFIOAISA-N 1 1 405.461 2.873 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cc(=O)n3ccsc3n1)C2 ZINC000805794355 1079259265 /nfs/dbraw/zinc/25/92/65/1079259265.db2.gz SLMJGFRPTCTTCV-HXUWFJFHSA-N 1 1 404.536 2.979 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cc(=O)n3ccsc3n1)C2 ZINC000805794355 1079259270 /nfs/dbraw/zinc/25/92/70/1079259270.db2.gz SLMJGFRPTCTTCV-HXUWFJFHSA-N 1 1 404.536 2.979 20 0 HFADMO Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2=O)n(C)n1 ZINC000805795294 1079259763 /nfs/dbraw/zinc/25/97/63/1079259763.db2.gz KRTAGNAEMVQPKB-HTAPYJJXSA-N 1 1 417.554 2.557 20 0 HFADMO Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2=O)n(C)n1 ZINC000805795294 1079259768 /nfs/dbraw/zinc/25/97/68/1079259768.db2.gz KRTAGNAEMVQPKB-HTAPYJJXSA-N 1 1 417.554 2.557 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000805765701 1079266105 /nfs/dbraw/zinc/26/61/05/1079266105.db2.gz OOSXILUPXSOYQQ-RBUKOAKNSA-N 1 1 417.550 2.876 20 0 HFADMO CC[C@H]1CC([N@H+]2C[C@H]3CN(CCOC)C(=O)[C@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170488390 1079266392 /nfs/dbraw/zinc/26/63/92/1079266392.db2.gz GHKGMZPOLUQVLG-LXZJYRNTSA-N 1 1 423.598 2.980 20 0 HFADMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN(C)CC(F)(F)Br)CC1 ZINC000805838014 1079277206 /nfs/dbraw/zinc/27/72/06/1079277206.db2.gz XAWJSIFECHTHQP-UHFFFAOYSA-N 1 1 418.326 2.949 20 0 HFADMO C[C@@H](C[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H](C)CO)c1ccccc1 ZINC000805820192 1079292509 /nfs/dbraw/zinc/29/25/09/1079292509.db2.gz GZEQXWILAFBBHG-PMACEKPBSA-N 1 1 411.546 2.948 20 0 HFADMO CNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000805825600 1079294664 /nfs/dbraw/zinc/29/46/64/1079294664.db2.gz ZSCQWXNSKLZJMO-VQIMIIECSA-N 1 1 419.522 2.578 20 0 HFADMO CNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000805825600 1079294667 /nfs/dbraw/zinc/29/46/67/1079294667.db2.gz ZSCQWXNSKLZJMO-VQIMIIECSA-N 1 1 419.522 2.578 20 0 HFADMO CNC(=O)OC[C@H]1CCCC[N@H+]1CCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000805828275 1079298185 /nfs/dbraw/zinc/29/81/85/1079298185.db2.gz FOXVLJDUMYRPNF-CYBMUJFWSA-N 1 1 413.902 2.896 20 0 HFADMO COC(=O)N1CCC(CNC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000805830585 1079299442 /nfs/dbraw/zinc/29/94/42/1079299442.db2.gz KWWFITJTTGIAAQ-QHCPKHFHSA-N 1 1 414.550 2.772 20 0 HFADMO COC(=O)[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[C@@H](OC)C1 ZINC001130411671 1079313137 /nfs/dbraw/zinc/31/31/37/1079313137.db2.gz YZXPPJXZZCVTTR-DOIPELPJSA-N 1 1 402.535 2.762 20 0 HFADMO CCC[N@@H+](CC)Cc1ccc(C(=O)Oc2ccc(C[C@H]3NC(=O)NC3=O)cc2)cc1 ZINC000805876464 1079317262 /nfs/dbraw/zinc/31/72/62/1079317262.db2.gz PVJRAHHUIHIWJG-HXUWFJFHSA-N 1 1 409.486 2.888 20 0 HFADMO C[C@H](CN1CCOCC1)[N@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001170490496 1079317549 /nfs/dbraw/zinc/31/75/49/1079317549.db2.gz MWXWOIWDYFCEDS-NVXWUHKLSA-N 1 1 414.331 2.876 20 0 HFADMO COCC[N@@H+]1CCN(C(=O)c2nn(-c3cccc(F)c3)c3c2CCC3)C(C)(C)C1 ZINC001130420342 1079339667 /nfs/dbraw/zinc/33/96/67/1079339667.db2.gz AESZVESFQCGHRF-UHFFFAOYSA-N 1 1 400.498 2.683 20 0 HFADMO COCC[N@H+]1CCN(C(=O)c2nn(-c3cccc(F)c3)c3c2CCC3)C(C)(C)C1 ZINC001130420342 1079339672 /nfs/dbraw/zinc/33/96/72/1079339672.db2.gz AESZVESFQCGHRF-UHFFFAOYSA-N 1 1 400.498 2.683 20 0 HFADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1 ZINC000805937965 1079342275 /nfs/dbraw/zinc/34/22/75/1079342275.db2.gz RKKFIJDJBSFEFB-AWEZNQCLSA-N 1 1 405.495 2.967 20 0 HFADMO CCO[C@H](C(=O)N[C@]1(C(=O)OC)CCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001130448371 1079349736 /nfs/dbraw/zinc/34/97/36/1079349736.db2.gz RSYKDVYVGHJWDT-NZQKXSOJSA-N 1 1 402.535 2.906 20 0 HFADMO COC(=O)c1cnc2[nH]cc(-n3ccc(=NC(=O)C4CCC([C@@H](C)[NH3+])CC4)cc3)cc1-2 ZINC001170496404 1079396251 /nfs/dbraw/zinc/39/62/51/1079396251.db2.gz PXGGCZUERVRZSI-QQFBHYJXSA-N 1 1 421.501 2.721 20 0 HFADMO C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000747302476 1079419479 /nfs/dbraw/zinc/41/94/79/1079419479.db2.gz PBDIKKJRLUHLRT-GOSISDBHSA-N 1 1 411.502 2.815 20 0 HFADMO O=C(CCNC(=O)c1ccc(Br)cc1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001130517974 1079448810 /nfs/dbraw/zinc/44/88/10/1079448810.db2.gz BRXYKRGKABDIFT-IAGOWNOFSA-N 1 1 408.340 2.702 20 0 HFADMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001130518224 1079449439 /nfs/dbraw/zinc/44/94/39/1079449439.db2.gz ILSABPOKXLRZIM-VQTJNVASSA-N 1 1 405.564 2.608 20 0 HFADMO COc1cc(C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)cnc1Br ZINC001130549568 1079486186 /nfs/dbraw/zinc/48/61/86/1079486186.db2.gz FPECYHZJDMHBPE-MRXNPFEDSA-N 1 1 404.308 2.852 20 0 HFADMO COc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)cnc1Br ZINC001130549568 1079486187 /nfs/dbraw/zinc/48/61/87/1079486187.db2.gz FPECYHZJDMHBPE-MRXNPFEDSA-N 1 1 404.308 2.852 20 0 HFADMO CCOCCCNC(=O)c1cccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000806213210 1079498133 /nfs/dbraw/zinc/49/81/33/1079498133.db2.gz NKIKKUIPTLHUGK-YOFSQIOKSA-N 1 1 402.539 2.932 20 0 HFADMO NC(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)C1 ZINC000746675056 1076749085 /nfs/dbraw/zinc/74/90/85/1076749085.db2.gz KOVREZBAXSVEER-OAHLLOKOSA-N 1 1 412.465 2.604 20 0 HFADMO NC(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)C1 ZINC000746675056 1076749090 /nfs/dbraw/zinc/74/90/90/1076749090.db2.gz KOVREZBAXSVEER-OAHLLOKOSA-N 1 1 412.465 2.604 20 0 HFADMO C[C@H]1C[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)C(C)(C)C1 ZINC000746676126 1076749445 /nfs/dbraw/zinc/74/94/45/1076749445.db2.gz SNXMDFFUZMWHIM-MRXNPFEDSA-N 1 1 420.579 2.996 20 0 HFADMO CCOCCC[N@H+]1CC[C@H](NCc2cc(=O)oc3cc(NC(C)=O)ccc23)[C@@H](C)C1 ZINC000787301665 1076749739 /nfs/dbraw/zinc/74/97/39/1076749739.db2.gz CBIXICIIMRNXTL-KKSFZXQISA-N 1 1 415.534 2.978 20 0 HFADMO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000787323191 1076766715 /nfs/dbraw/zinc/76/67/15/1076766715.db2.gz ARYNJTNROFFFOW-JENIJYKNSA-N 1 1 424.586 2.527 20 0 HFADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H](C)NC(=O)c2[nH]nc3ccccc32)CC1 ZINC001170072348 1076772913 /nfs/dbraw/zinc/77/29/13/1076772913.db2.gz KDNAIAPDZVIXEA-DLBZAZTESA-N 1 1 405.502 2.587 20 0 HFADMO Cn1cc(C[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3C(=O)NC3CCCC3)C2)cn1 ZINC000746677788 1076791766 /nfs/dbraw/zinc/79/17/66/1076791766.db2.gz HDHNDVYOFXNAPT-QGZVFWFLSA-N 1 1 409.534 2.596 20 0 HFADMO C[NH+](C)CCC1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC1 ZINC000787352427 1076793088 /nfs/dbraw/zinc/79/30/88/1076793088.db2.gz SWXFVZSWUJDPSR-KRWDZBQOSA-N 1 1 419.570 2.938 20 0 HFADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787388776 1076804895 /nfs/dbraw/zinc/80/48/95/1076804895.db2.gz ZBMOKNBBCHGPTP-RKVPGOIHSA-N 1 1 405.543 2.546 20 0 HFADMO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787388776 1076804901 /nfs/dbraw/zinc/80/49/01/1076804901.db2.gz ZBMOKNBBCHGPTP-RKVPGOIHSA-N 1 1 405.543 2.546 20 0 HFADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787388776 1076804905 /nfs/dbraw/zinc/80/49/05/1076804905.db2.gz ZBMOKNBBCHGPTP-RKVPGOIHSA-N 1 1 405.543 2.546 20 0 HFADMO CC[N@H+]1CC[C@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1 ZINC000746685412 1076818491 /nfs/dbraw/zinc/81/84/91/1076818491.db2.gz BHXOUGFLGAAAJS-FGZHOGPDSA-N 1 1 409.530 2.982 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCSC[C@H]2c2ccccc2)cn1 ZINC000787491570 1076824516 /nfs/dbraw/zinc/82/45/16/1076824516.db2.gz UIWOVYXBFNPMLV-IBGZPJMESA-N 1 1 421.526 2.509 20 0 HFADMO CCc1ccc(C(C)(C)CNC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000787479654 1076838964 /nfs/dbraw/zinc/83/89/64/1076838964.db2.gz VQLKGCBVRQKXFN-UHFFFAOYSA-N 1 1 419.529 2.848 20 0 HFADMO CCN(Cc1c(F)cccc1F)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000787481480 1076840004 /nfs/dbraw/zinc/84/00/04/1076840004.db2.gz NQIVEUWHCUXSLA-UHFFFAOYSA-N 1 1 413.428 2.519 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(C)[C@@H](C)c2c(F)cccc2F)cn1 ZINC000787481414 1076840347 /nfs/dbraw/zinc/84/03/47/1076840347.db2.gz MQVBZJRORVCIRI-ZDUSSCGKSA-N 1 1 413.428 2.690 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)cn1 ZINC000787482690 1076840980 /nfs/dbraw/zinc/84/09/80/1076840980.db2.gz WHYSHRDJLHOYKS-UZLBHIALSA-N 1 1 403.486 2.597 20 0 HFADMO O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)N1CC[NH+]2CCC1CC2 ZINC000787527033 1076847805 /nfs/dbraw/zinc/84/78/05/1076847805.db2.gz SAEATHGXIUBGQX-UHFFFAOYSA-N 1 1 400.548 2.552 20 0 HFADMO CS[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000787609943 1076877239 /nfs/dbraw/zinc/87/72/39/1076877239.db2.gz POGALMBYGOVQQF-KZNAEPCWSA-N 1 1 409.983 2.993 20 0 HFADMO C[C@@H](NC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1)c1nc2ccccc2s1 ZINC000787621754 1076881851 /nfs/dbraw/zinc/88/18/51/1076881851.db2.gz HVYGFONULYTRQJ-OAHLLOKOSA-N 1 1 408.527 2.648 20 0 HFADMO C[C@@H](NC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1)c1nc2ccccc2s1 ZINC000787621754 1076881858 /nfs/dbraw/zinc/88/18/58/1076881858.db2.gz HVYGFONULYTRQJ-OAHLLOKOSA-N 1 1 408.527 2.648 20 0 HFADMO C[N@H+]1CCN(CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)CC1(C)C ZINC000787676038 1076890403 /nfs/dbraw/zinc/89/04/03/1076890403.db2.gz MTANXAHMOKDXMK-UHFFFAOYSA-N 1 1 424.501 2.632 20 0 HFADMO C[C@H](CNC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)N(C)c1ccccc1 ZINC000787638460 1076892252 /nfs/dbraw/zinc/89/22/52/1076892252.db2.gz MOUZHQBOBVYXIR-CJFMBICVSA-N 1 1 422.573 2.656 20 0 HFADMO CCCCCC[N@@H+](C)CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 ZINC000787644493 1076894994 /nfs/dbraw/zinc/89/49/94/1076894994.db2.gz JKYHONTZGWICMQ-UHFFFAOYSA-N 1 1 411.568 2.930 20 0 HFADMO C[C@H](NC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1nc2ccccc2s1 ZINC000787649545 1076897562 /nfs/dbraw/zinc/89/75/62/1076897562.db2.gz ASSHSATUJYWCMI-SWLSCSKDSA-N 1 1 402.545 2.954 20 0 HFADMO C[C@@H](NC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1nc2ccccc2s1 ZINC000787649544 1076897655 /nfs/dbraw/zinc/89/76/55/1076897655.db2.gz ASSHSATUJYWCMI-IUODEOHRSA-N 1 1 402.545 2.954 20 0 HFADMO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1)c1ccsc1 ZINC000787657946 1076901143 /nfs/dbraw/zinc/90/11/43/1076901143.db2.gz ZJMJJOKKSDHEOS-GVDBMIGSSA-N 1 1 421.588 2.643 20 0 HFADMO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000787680035 1076908911 /nfs/dbraw/zinc/90/89/11/1076908911.db2.gz ZZQXBWLAUVFXKA-LMMKCTJWSA-N 1 1 409.571 2.734 20 0 HFADMO CCOc1ccccc1N1CC[NH+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1 ZINC000787687196 1076911514 /nfs/dbraw/zinc/91/15/14/1076911514.db2.gz KCLOFWYVSYSIHM-OFNKIYASSA-N 1 1 419.566 2.968 20 0 HFADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)C1 ZINC000787707335 1076919842 /nfs/dbraw/zinc/91/98/42/1076919842.db2.gz DFKCMZWSOCFYKB-QYWGDWMGSA-N 1 1 413.559 2.593 20 0 HFADMO CC[N@H+](CC(=O)Nc1cccc(OC)c1)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000787710644 1076922309 /nfs/dbraw/zinc/92/23/09/1076922309.db2.gz MTYYJSJIOUMIRU-XMSQKQJNSA-N 1 1 421.538 2.716 20 0 HFADMO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000787710644 1076922312 /nfs/dbraw/zinc/92/23/12/1076922312.db2.gz MTYYJSJIOUMIRU-XMSQKQJNSA-N 1 1 421.538 2.716 20 0 HFADMO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000787819821 1076953440 /nfs/dbraw/zinc/95/34/40/1076953440.db2.gz SBHMMASHPIXWTI-VQTJNVASSA-N 1 1 406.885 2.920 20 0 HFADMO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000787819821 1076953443 /nfs/dbraw/zinc/95/34/43/1076953443.db2.gz SBHMMASHPIXWTI-VQTJNVASSA-N 1 1 406.885 2.920 20 0 HFADMO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000787819817 1076953457 /nfs/dbraw/zinc/95/34/57/1076953457.db2.gz SBHMMASHPIXWTI-PMACEKPBSA-N 1 1 406.885 2.920 20 0 HFADMO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000787819817 1076953458 /nfs/dbraw/zinc/95/34/58/1076953458.db2.gz SBHMMASHPIXWTI-PMACEKPBSA-N 1 1 406.885 2.920 20 0 HFADMO CN1CC[NH+](Cc2ccc(C(=O)NC[C@H](O)c3cc(F)cc(Cl)c3)cc2)CC1 ZINC000787846276 1076962593 /nfs/dbraw/zinc/96/25/93/1076962593.db2.gz YZXZARVGBWRUQO-FQEVSTJZSA-N 1 1 405.901 2.690 20 0 HFADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC2CCC(O)(c3ccccc3)CC2)C1 ZINC000787907069 1076990057 /nfs/dbraw/zinc/99/00/57/1076990057.db2.gz BOLGEPHORYBVEQ-RNQSCQIESA-N 1 1 415.578 2.561 20 0 HFADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)C1 ZINC000787911747 1076992431 /nfs/dbraw/zinc/99/24/31/1076992431.db2.gz QEAXDQQNNWPAKI-QRVBRYPASA-N 1 1 421.607 2.791 20 0 HFADMO COc1ccccc1[C@H](CNS(=O)(=O)c1cnc(Cl)c(F)c1)[NH+]1CCCC1 ZINC000787918858 1076996639 /nfs/dbraw/zinc/99/66/39/1076996639.db2.gz ZLHGFVVDLINUOV-INIZCTEOSA-N 1 1 413.902 2.998 20 0 HFADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2cccc(NC(=O)OCC(C)C)c2)CC1 ZINC000746719851 1077019171 /nfs/dbraw/zinc/01/91/71/1077019171.db2.gz ALZSJUKDZKIKFC-MRXNPFEDSA-N 1 1 420.510 2.992 20 0 HFADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2ccc(N3CCSCC3)c(C)c2)CC1 ZINC000746722587 1077022975 /nfs/dbraw/zinc/02/29/75/1077022975.db2.gz LZILSRNEPMDCOU-KRWDZBQOSA-N 1 1 420.579 2.649 20 0 HFADMO CC1(C)OCC(CO)([NH2+]CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CO1 ZINC000788000180 1077024176 /nfs/dbraw/zinc/02/41/76/1077024176.db2.gz RKIFFVVJVGVMHH-UHFFFAOYSA-N 1 1 408.514 2.591 20 0 HFADMO COc1ccc(OC)c2c1CN(C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)C[C@@H]2O ZINC000788011477 1077027841 /nfs/dbraw/zinc/02/78/41/1077027841.db2.gz JSYXXIGZMYWWKM-FPOVZHCZSA-N 1 1 412.530 2.844 20 0 HFADMO CC(C)[N@H+]1CCO[C@@H](COC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)C1 ZINC000788040981 1077037975 /nfs/dbraw/zinc/03/79/75/1077037975.db2.gz KMFFYZXGKSYCSZ-LJQANCHMSA-N 1 1 421.497 2.711 20 0 HFADMO O=C(NOC[C@@H]1CCOC1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000788104274 1077049580 /nfs/dbraw/zinc/04/95/80/1077049580.db2.gz HQCRXOVULYYESI-OAHLLOKOSA-N 1 1 412.328 2.681 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)cn1 ZINC000788302182 1077092424 /nfs/dbraw/zinc/09/24/24/1077092424.db2.gz VJEBUZZDHWLTOH-UHFFFAOYSA-N 1 1 419.894 2.954 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@](N)(c2cccc(F)c2)C(F)(F)F)cn1 ZINC000788287923 1077098384 /nfs/dbraw/zinc/09/83/84/1077098384.db2.gz KYHVUXACSFOGFI-SFHVURJKSA-N 1 1 407.371 2.748 20 0 HFADMO O=C1C[C@H]([NH+]2CCC(COc3ccc(Cl)nc3)CC2)C(=O)N1c1cccc(O)c1 ZINC000788332238 1077105470 /nfs/dbraw/zinc/10/54/70/1077105470.db2.gz RKAYIQKVVZDFFF-SFHVURJKSA-N 1 1 415.877 2.864 20 0 HFADMO Cc1ccc(-c2nn(CN(C)[C@@H](C)C[NH+]3CCOCC3)c(=O)c3ccccc32)cc1 ZINC000788375673 1077133208 /nfs/dbraw/zinc/13/32/08/1077133208.db2.gz ARWFRZBARKFPQJ-IBGZPJMESA-N 1 1 406.530 2.982 20 0 HFADMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)CC3CCC4(CC3)OCCO4)cc2)CC1 ZINC000788461395 1077167718 /nfs/dbraw/zinc/16/77/18/1077167718.db2.gz LICQGXCVWVOQLS-UHFFFAOYSA-N 1 1 415.534 2.613 20 0 HFADMO O=C(NCCSC(F)(F)F)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000788555476 1077199996 /nfs/dbraw/zinc/19/99/96/1077199996.db2.gz ASIWUWRGDVCNHH-MQVJKMGUSA-N 1 1 415.481 2.667 20 0 HFADMO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000788612269 1077207845 /nfs/dbraw/zinc/20/78/45/1077207845.db2.gz NRPXYMVAJARIQO-DNVCBOLYSA-N 1 1 402.539 2.587 20 0 HFADMO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000788612269 1077207848 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COc1ccc([C@@H]2[C@H](COC(=O)CN3CCc4ccccc4C3=O)CC[N@H+]2C)cc1 ZINC000789432710 1077570106 /nfs/dbraw/zinc/57/01/06/1077570106.db2.gz MGUPLLOJBDHBQT-WMZHIEFXSA-N 1 1 408.498 2.930 20 0 HFADMO CS(=O)(=O)c1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1Cl ZINC000791828681 1077576949 /nfs/dbraw/zinc/57/69/49/1077576949.db2.gz OLUOFRYQFHNOSM-MRXNPFEDSA-N 1 1 406.935 2.995 20 0 HFADMO C[C@@H](CCNC(=O)C(=O)Nc1ccc(N2CCOC2=O)cc1)[N@@H+](C)Cc1ccccc1 ZINC000746813790 1077578641 /nfs/dbraw/zinc/57/86/41/1077578641.db2.gz ZKCNPKHTTMISIX-KRWDZBQOSA-N 1 1 424.501 2.609 20 0 HFADMO Cc1c(C(=O)OCCC[NH+]2CCN(C(C)C)CC2)nnn1-c1cccc2ncccc21 ZINC000791884084 1077585469 /nfs/dbraw/zinc/58/54/69/1077585469.db2.gz KIWMMLFTXITKHU-UHFFFAOYSA-N 1 1 422.533 2.697 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)CCSc2ccc3c(c2)OCCO3)CC1 ZINC000791929782 1077597711 /nfs/dbraw/zinc/59/77/11/1077597711.db2.gz IHZXGBOCVPYADQ-UHFFFAOYSA-N 1 1 408.564 2.899 20 0 HFADMO C[C@H](NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1nnnn1C1CC1 ZINC000791922699 1077612537 /nfs/dbraw/zinc/61/25/37/1077612537.db2.gz USMUKQFXFQWBCG-SCLBCKFNSA-N 1 1 408.428 2.640 20 0 HFADMO CCn1c2ccccc2n(CC(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@@H]32)c1=O ZINC000791981274 1077621647 /nfs/dbraw/zinc/62/16/47/1077621647.db2.gz GPKHRWHXKXNLNK-ICSRJNTNSA-N 1 1 404.514 2.966 20 0 HFADMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000791982054 1077621967 /nfs/dbraw/zinc/62/19/67/1077621967.db2.gz ODUKSQXADHDSHX-XJABCFGWSA-N 1 1 404.514 2.573 20 0 HFADMO COc1ccc(NC(C)=O)cc1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792017030 1077652108 /nfs/dbraw/zinc/65/21/08/1077652108.db2.gz VSKKUVHAGKDQCF-UHFFFAOYSA-N 1 1 420.510 2.535 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2ccc3c(c2)NC(=O)CS3)CC1 ZINC000792024724 1077655793 /nfs/dbraw/zinc/65/57/93/1077655793.db2.gz GBHPDXYYIREVJC-UHFFFAOYSA-N 1 1 420.535 2.612 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCCC[N@@H+](C)C3CCCCC3)C2)c1 ZINC000792053104 1077659056 /nfs/dbraw/zinc/65/90/56/1077659056.db2.gz XIZDRAURLBJHKU-NRFANRHFSA-N 1 1 403.523 2.968 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000792052930 1077659492 /nfs/dbraw/zinc/65/94/92/1077659492.db2.gz FSOXAFQLHCEBOQ-QFIPXVFZSA-N 1 1 411.587 2.983 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCc2ncc(-c3ccccc3)o2)CC1 ZINC000792057006 1077664192 /nfs/dbraw/zinc/66/41/92/1077664192.db2.gz LOXFDHAWWKKNAJ-UHFFFAOYSA-N 1 1 414.506 2.901 20 0 HFADMO Cc1nc2ccc(C(=O)NCCC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)cc2o1 ZINC000792062198 1077670257 /nfs/dbraw/zinc/67/02/57/1077670257.db2.gz QZRTWCVYSUNMOU-UHFFFAOYSA-N 1 1 402.495 2.809 20 0 HFADMO C[C@H](O)COC(=O)CCC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000792037132 1077687960 /nfs/dbraw/zinc/68/79/60/1077687960.db2.gz YPRXPRHOHMBUNI-KRWDZBQOSA-N 1 1 408.498 2.605 20 0 HFADMO C[N@@H+](CCCNC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)C1CCCCC1 ZINC000792051670 1077694732 /nfs/dbraw/zinc/69/47/32/1077694732.db2.gz MLRNKNSRQIJGJQ-UHFFFAOYSA-N 1 1 410.603 2.700 20 0 HFADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792103015 1077697898 /nfs/dbraw/zinc/69/78/98/1077697898.db2.gz DQWCARLDSANTQV-HSALFYBXSA-N 1 1 422.614 2.793 20 0 HFADMO COc1ccc(N(C)C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000792082941 1077707924 /nfs/dbraw/zinc/70/79/24/1077707924.db2.gz MAHSVXDNFODFEQ-UHFFFAOYSA-N 1 1 407.511 2.609 20 0 HFADMO CC(C)[N@@H+](C)CC1CCN(C(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792085473 1077708827 /nfs/dbraw/zinc/70/88/27/1077708827.db2.gz WFDGZHZNUUWOHB-UHFFFAOYSA-N 1 1 410.603 2.508 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCO[C@H](c3ccccc3F)C2)CC1 ZINC000792130155 1077717169 /nfs/dbraw/zinc/71/71/69/1077717169.db2.gz SOLUWZGDMBGCJZ-IBGZPJMESA-N 1 1 421.513 2.668 20 0 HFADMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000792150403 1077723451 /nfs/dbraw/zinc/72/34/51/1077723451.db2.gz QEUDZOCHBSZPMM-DHIUTWEWSA-N 1 1 420.557 2.999 20 0 HFADMO COc1ccc([C@@H]2CCN(C(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 ZINC000792122693 1077728567 /nfs/dbraw/zinc/72/85/67/1077728567.db2.gz WQURKKOIFKOQPO-LJQANCHMSA-N 1 1 417.550 2.954 20 0 HFADMO C[C@H](CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1nc2ccccc2o1 ZINC000792208181 1077731110 /nfs/dbraw/zinc/73/11/10/1077731110.db2.gz RARIFOSSZWDTEK-MRXNPFEDSA-N 1 1 416.522 2.990 20 0 HFADMO C[C@]1(CNC(=O)C(=O)NCc2ccc3ncccc3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000789694343 1077731420 /nfs/dbraw/zinc/73/14/20/1077731420.db2.gz SFLRFTWOLJTTMB-RUZDIDTESA-N 1 1 416.525 2.879 20 0 HFADMO COC1(C[N@H+]2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)CCCC1 ZINC000792167022 1077732589 /nfs/dbraw/zinc/73/25/89/1077732589.db2.gz JZHBBCQMPJECQH-SFHVURJKSA-N 1 1 409.571 2.737 20 0 HFADMO O=C(NC1CCC(O)(c2cccnc2)CC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792173567 1077734217 /nfs/dbraw/zinc/73/42/17/1077734217.db2.gz DGNZLGFRQNOQQH-AWTPEXQYSA-N 1 1 420.557 2.985 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N[C@H]2CCCN(c3ccccc3)C2)CC1 ZINC000792177627 1077735570 /nfs/dbraw/zinc/73/55/70/1077735570.db2.gz FPSUZVBQBAYUSY-IBGZPJMESA-N 1 1 416.566 2.714 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)CC1 ZINC000792178707 1077736278 /nfs/dbraw/zinc/73/62/78/1077736278.db2.gz NXVKFGKOILVYPD-WMLDXEAASA-N 1 1 409.477 2.880 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC000792187202 1077738534 /nfs/dbraw/zinc/73/85/34/1077738534.db2.gz CNTUCDFAJGCAEE-PKOBYXMFSA-N 1 1 411.587 2.887 20 0 HFADMO CC(=O)N(C)c1ccccc1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792190833 1077739080 /nfs/dbraw/zinc/73/90/80/1077739080.db2.gz SMEFRRREECBOGQ-UHFFFAOYSA-N 1 1 404.511 2.551 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CCC[N@H+](C4CCCC4)CC3)C2)c1 ZINC000792193870 1077739998 /nfs/dbraw/zinc/73/99/98/1077739998.db2.gz KXVVKRFWLVEIAN-NRFANRHFSA-N 1 1 401.507 2.674 20 0 HFADMO CCc1ccc([C@H](COC)NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000792196988 1077741723 /nfs/dbraw/zinc/74/17/23/1077741723.db2.gz QSJHWXXCGIGUIO-KRWDZBQOSA-N 1 1 409.527 2.589 20 0 HFADMO C[C@](O)(CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000792224118 1077750462 /nfs/dbraw/zinc/75/04/62/1077750462.db2.gz CRAMKAKNHMQWGX-VGSWGCGISA-N 1 1 403.473 2.994 20 0 HFADMO C[C@](O)(CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000792224114 1077750538 /nfs/dbraw/zinc/75/05/38/1077750538.db2.gz CRAMKAKNHMQWGX-JTSKRJEESA-N 1 1 403.473 2.994 20 0 HFADMO Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000792228080 1077753063 /nfs/dbraw/zinc/75/30/63/1077753063.db2.gz RATFGAVSSCUIBM-BAGYTPMASA-N 1 1 411.550 2.540 20 0 HFADMO COc1ccc(OC)c([C@H](O)CNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000792233602 1077756603 /nfs/dbraw/zinc/75/66/03/1077756603.db2.gz PHXBLWTTXGKPOM-GHTZIAJQSA-N 1 1 413.518 2.559 20 0 HFADMO C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792236386 1077758215 /nfs/dbraw/zinc/75/82/15/1077758215.db2.gz KMXILDGHQSFMLS-VQIMIIECSA-N 1 1 423.529 2.697 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N[C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000792239538 1077760143 /nfs/dbraw/zinc/76/01/43/1077760143.db2.gz IFJXZKDDJLIEFZ-GOSISDBHSA-N 1 1 409.571 2.927 20 0 HFADMO CN(C)c1cccc(CN(C)C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792244012 1077762081 /nfs/dbraw/zinc/76/20/81/1077762081.db2.gz SJGBOYFHIPGIDW-UHFFFAOYSA-N 1 1 404.555 2.654 20 0 HFADMO CCc1c(NC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2C)cnn1C(CC)CC ZINC000792211773 1077766447 /nfs/dbraw/zinc/76/64/47/1077766447.db2.gz ILZDCQFKBPOJHU-UHFFFAOYSA-N 1 1 423.521 2.951 20 0 HFADMO Cc1nc(Cl)ccc1NC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000789780256 1077789209 /nfs/dbraw/zinc/78/92/09/1077789209.db2.gz LWCLYAQSSJGTGE-INIZCTEOSA-N 1 1 418.950 2.716 20 0 HFADMO Cc1nc(Cl)ccc1NC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000789780256 1077789215 /nfs/dbraw/zinc/78/92/15/1077789215.db2.gz LWCLYAQSSJGTGE-INIZCTEOSA-N 1 1 418.950 2.716 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2ccc3[nH]c(=S)[nH]c3c2)CC1 ZINC000792302392 1077796858 /nfs/dbraw/zinc/79/68/58/1077796858.db2.gz GLQNGUHJOXHCND-UHFFFAOYSA-N 1 1 405.524 2.733 20 0 HFADMO CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792303434 1077797132 /nfs/dbraw/zinc/79/71/32/1077797132.db2.gz GFJAPMCQGVCGSL-OXQOHEQNSA-N 1 1 423.529 2.961 20 0 HFADMO Cc1ccn2cc(C(=O)OCC[N@@H+]3CCCN(C(=O)OC(C)(C)C)CC3)nc2c1 ZINC000789792322 1077798049 /nfs/dbraw/zinc/79/80/49/1077798049.db2.gz PXQUAXIKKDUVBS-UHFFFAOYSA-N 1 1 402.495 2.742 20 0 HFADMO Cc1ccn2cc(C(=O)OCC[N@H+]3CCCN(C(=O)OC(C)(C)C)CC3)nc2c1 ZINC000789792322 1077798052 /nfs/dbraw/zinc/79/80/52/1077798052.db2.gz PXQUAXIKKDUVBS-UHFFFAOYSA-N 1 1 402.495 2.742 20 0 HFADMO CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)Cc2cc(=O)n3ccsc3n2)cn1 ZINC000792364650 1077816730 /nfs/dbraw/zinc/81/67/30/1077816730.db2.gz IJPKNJXGGQCGQS-LJQANCHMSA-N 1 1 409.515 2.708 20 0 HFADMO CCn1cc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3ccsc3n2)cn1 ZINC000792364650 1077816737 /nfs/dbraw/zinc/81/67/37/1077816737.db2.gz IJPKNJXGGQCGQS-LJQANCHMSA-N 1 1 409.515 2.708 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CC[C@]3(C2)OCc2ccccc23)CC1 ZINC000792335554 1077824416 /nfs/dbraw/zinc/82/44/16/1077824416.db2.gz OTVZLWVXPFYMOZ-HSZRJFAPSA-N 1 1 415.534 2.587 20 0 HFADMO COc1ccc(OC)c([C@@H](C)NC(=O)C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c1 ZINC000792380288 1077845548 /nfs/dbraw/zinc/84/55/48/1077845548.db2.gz OXXBWNIZVCYYGQ-OAHLLOKOSA-N 1 1 417.481 2.959 20 0 HFADMO C[C@H](OC(=O)c1nc2cccnc2s1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792382076 1077845790 /nfs/dbraw/zinc/84/57/90/1077845790.db2.gz QLIPLTGPYICHJM-GOEBONIOSA-N 1 1 410.499 2.627 20 0 HFADMO C[C@H](OC(=O)c1cc[nH]c1C1CC1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000792428621 1077851574 /nfs/dbraw/zinc/85/15/74/1077851574.db2.gz JEDCDCJGCQNCMR-INIZCTEOSA-N 1 1 411.502 2.586 20 0 HFADMO CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000789899802 1077855973 /nfs/dbraw/zinc/85/59/73/1077855973.db2.gz RZYWUAIAGBOZLE-KRWDZBQOSA-N 1 1 414.472 2.859 20 0 HFADMO CC(C)[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@H](O)c1ccccc1 ZINC000792491249 1077864526 /nfs/dbraw/zinc/86/45/26/1077864526.db2.gz JNWHBAOBINXKEO-NHCUHLMSSA-N 1 1 419.566 2.804 20 0 HFADMO CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000789961390 1077870804 /nfs/dbraw/zinc/87/08/04/1077870804.db2.gz IOQMIUGKWCPAGJ-SNPRPXQTSA-N 1 1 405.486 2.950 20 0 HFADMO CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000789961390 1077870812 /nfs/dbraw/zinc/87/08/12/1077870812.db2.gz IOQMIUGKWCPAGJ-SNPRPXQTSA-N 1 1 405.486 2.950 20 0 HFADMO CN(C(=O)c1ccc(NC(=O)c2ccn(CC(F)F)n2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000789961985 1077871960 /nfs/dbraw/zinc/87/19/60/1077871960.db2.gz QXKISEGEJBHHCB-INIZCTEOSA-N 1 1 405.449 2.567 20 0 HFADMO CCOc1nc(C)ccc1C(=O)N[C@@]1(C(=O)OC)CCC[N@H+](Cc2ccccc2)C1 ZINC000792540137 1077895035 /nfs/dbraw/zinc/89/50/35/1077895035.db2.gz YYAJFXOWFNDZQR-QHCPKHFHSA-N 1 1 411.502 2.726 20 0 HFADMO CCOc1nc(C)ccc1C(=O)N[C@@]1(C(=O)OC)CCC[N@@H+](Cc2ccccc2)C1 ZINC000792540137 1077895042 /nfs/dbraw/zinc/89/50/42/1077895042.db2.gz YYAJFXOWFNDZQR-QHCPKHFHSA-N 1 1 411.502 2.726 20 0 HFADMO CC[C@H]1C[C@@H](NC(=[NH2+])NCCC[C@H](N)C(=O)Nc2ccc3ccccc3c2)CCO1 ZINC001170200903 1077912666 /nfs/dbraw/zinc/91/26/66/1077912666.db2.gz AJGLCEOBJYFGEA-ACRUOGEOSA-N 1 1 411.550 2.957 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000792579784 1077915789 /nfs/dbraw/zinc/91/57/89/1077915789.db2.gz XAWRCDPIIKWHDP-YYDVJCTNSA-N 1 1 417.525 2.926 20 0 HFADMO CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001626112242 1077917699 /nfs/dbraw/zinc/91/76/99/1077917699.db2.gz ZRRORUWMMGWWNH-HXUWFJFHSA-N 1 1 400.567 2.799 20 0 HFADMO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2nccn2C)C1 ZINC001170264648 1077921398 /nfs/dbraw/zinc/92/13/98/1077921398.db2.gz UHNAMDNFXQPRQB-OTWHNJEPSA-N 1 1 405.587 2.992 20 0 HFADMO Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)Cc3cnc4ccccc4c3)CC2)c1 ZINC000790076873 1077924447 /nfs/dbraw/zinc/92/44/47/1077924447.db2.gz OJLFWRPOWVRITD-UHFFFAOYSA-N 1 1 417.509 2.973 20 0 HFADMO O=C(N1C[C@@H]2CC[N@H+](C[C@H](O)c3ccc(Br)cc3)C[C@@H]2C1)C(F)(F)F ZINC001170280407 1077936173 /nfs/dbraw/zinc/93/61/73/1077936173.db2.gz DWSKETUBKHPCGV-GUTXKFCHSA-N 1 1 421.257 2.825 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@H+]1C[C@H](NC(=O)c2cnn(C)c2)[C@H]2OCCC[C@H]21 ZINC001170283499 1077937235 /nfs/dbraw/zinc/93/72/35/1077937235.db2.gz MDKVIPHMGFKWBT-ZVEHZALQSA-N 1 1 402.926 2.666 20 0 HFADMO NC(=O)CC[N@@H+](C[C@H](O)COc1cccc2[nH]ccc21)[C@H]1CCOc2ccccc21 ZINC001170290294 1077938772 /nfs/dbraw/zinc/93/87/72/1077938772.db2.gz JPYCOUWGVICQJS-JXFKEZNVSA-N 1 1 409.486 2.609 20 0 HFADMO Cc1ccc(C2N=NC(=S)N2CCC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000790129436 1077951336 /nfs/dbraw/zinc/95/13/36/1077951336.db2.gz WJLGTGMYVKWZAX-UHFFFAOYSA-N 1 1 417.579 2.502 20 0 HFADMO Cc1ccc(C2N=NC(=S)N2CCC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC000790129436 1077951339 /nfs/dbraw/zinc/95/13/39/1077951339.db2.gz WJLGTGMYVKWZAX-UHFFFAOYSA-N 1 1 417.579 2.502 20 0 HFADMO CCOC(=O)N1[C@@H](C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1c1ccc(C)o1 ZINC000790129307 1077951608 /nfs/dbraw/zinc/95/16/08/1077951608.db2.gz YILGEBRKLUYDOC-ZSYWTGECSA-N 1 1 421.538 2.818 20 0 HFADMO CCOC(=O)N1[C@@H](C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1c1ccc(C)o1 ZINC000790129307 1077951612 /nfs/dbraw/zinc/95/16/12/1077951612.db2.gz YILGEBRKLUYDOC-ZSYWTGECSA-N 1 1 421.538 2.818 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)C[C@H](C)O1 ZINC000790124681 1077958929 /nfs/dbraw/zinc/95/89/29/1077958929.db2.gz BENPSMYCKDOLEV-COJYZCGHSA-N 1 1 413.562 2.506 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)C[C@H](C)O1 ZINC000790124681 1077958931 /nfs/dbraw/zinc/95/89/31/1077958931.db2.gz BENPSMYCKDOLEV-COJYZCGHSA-N 1 1 413.562 2.506 20 0 HFADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C3=NO[C@H](c4ccccc4)C3)n2)c1C ZINC000790160718 1077962459 /nfs/dbraw/zinc/96/24/59/1077962459.db2.gz IPYDDJSSNLXFSN-SFHVURJKSA-N 1 1 406.446 2.803 20 0 HFADMO CCOC(=O)C1=C(C[N@@H+]2CC[C@H](OC)[C@@H](C)C2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001170399800 1077964805 /nfs/dbraw/zinc/96/48/05/1077964805.db2.gz NILXWEGUBXVIJU-SOVGHPHASA-N 1 1 421.925 2.868 20 0 HFADMO CCOC(=O)C1=C(C[N@H+]2CC[C@H](OC)[C@@H](C)C2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001170399800 1077964808 /nfs/dbraw/zinc/96/48/08/1077964808.db2.gz NILXWEGUBXVIJU-SOVGHPHASA-N 1 1 421.925 2.868 20 0 HFADMO CCOC(=O)C1C(C[N@@H+]2CC[C@H](OC)[C@@H](C)C2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001170399800 1077964815 /nfs/dbraw/zinc/96/48/15/1077964815.db2.gz NILXWEGUBXVIJU-SOVGHPHASA-N 1 1 421.925 2.868 20 0 HFADMO CCOC(=O)C1C(C[N@H+]2CC[C@H](OC)[C@@H](C)C2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001170399800 1077964816 /nfs/dbraw/zinc/96/48/16/1077964816.db2.gz NILXWEGUBXVIJU-SOVGHPHASA-N 1 1 421.925 2.868 20 0 HFADMO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cn1 ZINC000790212543 1077971442 /nfs/dbraw/zinc/97/14/42/1077971442.db2.gz YMXSQMTWFJXVAZ-BHDDXSALSA-N 1 1 411.550 2.775 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@@H]3CC(c4cccnc4)=NO3)cc2)C[C@H](C)O1 ZINC000790288160 1077986153 /nfs/dbraw/zinc/98/61/53/1077986153.db2.gz FKZSGCOVNAPHHI-JKSBSHDWSA-N 1 1 408.502 2.500 20 0 HFADMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000790264731 1077989872 /nfs/dbraw/zinc/98/98/72/1077989872.db2.gz OQXDPOINYXVCPB-CGTJXYLNSA-N 1 1 409.452 2.764 20 0 HFADMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000790267094 1077990935 /nfs/dbraw/zinc/99/09/35/1077990935.db2.gz LBSRWOUUKMHWIR-JXFKEZNVSA-N 1 1 401.532 2.518 20 0 HFADMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000790271754 1077992260 /nfs/dbraw/zinc/99/22/60/1077992260.db2.gz ASTWOURJPORYQH-CGTJXYLNSA-N 1 1 409.452 2.764 20 0 HFADMO C[NH+](C)[C@H](CNC(=O)N[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)c1ccco1 ZINC000792791032 1077992372 /nfs/dbraw/zinc/99/23/72/1077992372.db2.gz XKODEGRTOOLPQB-XMSQKQJNSA-N 1 1 414.506 2.983 20 0 HFADMO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000790318681 1077996068 /nfs/dbraw/zinc/99/60/68/1077996068.db2.gz NZWABAKZDBMWFL-NMNUPHIUSA-N 1 1 414.594 2.702 20 0 HFADMO Cc1coc(C)c1C(=O)O[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000792767837 1077996789 /nfs/dbraw/zinc/99/67/89/1077996789.db2.gz YKTSNIGUOVYXPM-QGZVFWFLSA-N 1 1 400.475 2.590 20 0 HFADMO Cc1coc(C)c1C(=O)O[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000792767836 1077996803 /nfs/dbraw/zinc/99/68/03/1077996803.db2.gz YKTSNIGUOVYXPM-KRWDZBQOSA-N 1 1 400.475 2.590 20 0 HFADMO CC(C)Oc1ncccc1C(=O)O[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792831244 1078007475 /nfs/dbraw/zinc/00/74/75/1078007475.db2.gz AZVYNZIPCJWDBP-MJGOQNOKSA-N 1 1 411.502 2.805 20 0 HFADMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1nc(Br)ccc1Br ZINC000790344944 1078008155 /nfs/dbraw/zinc/00/81/55/1078008155.db2.gz YHZYEDVHVWWXJX-VHSXEESVSA-N 1 1 403.118 2.963 20 0 HFADMO C[C@]1(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000792857382 1078009675 /nfs/dbraw/zinc/00/96/75/1078009675.db2.gz YYTNHVMVVZAEIQ-JQVVWYNYSA-N 1 1 400.523 2.714 20 0 HFADMO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000792863935 1078011045 /nfs/dbraw/zinc/01/10/45/1078011045.db2.gz VZNZSGQYIRWNJX-LJQANCHMSA-N 1 1 417.550 2.781 20 0 HFADMO CCOC(=O)C1=C(C[N@@H+]2CCCN(c3cccc(Cl)c3C)CC2)NC(=O)N[C@@H]1C ZINC000792889073 1078017636 /nfs/dbraw/zinc/01/76/36/1078017636.db2.gz OSTDTAROMODFNT-OAHLLOKOSA-N 1 1 420.941 2.679 20 0 HFADMO CCOC(=O)C1=C(C[N@H+]2CCCN(c3cccc(Cl)c3C)CC2)NC(=O)N[C@@H]1C ZINC000792889073 1078017639 /nfs/dbraw/zinc/01/76/39/1078017639.db2.gz OSTDTAROMODFNT-OAHLLOKOSA-N 1 1 420.941 2.679 20 0 HFADMO C[C@@]12CC[N@H+](CC(=O)N3CCN(C(=O)c4cccs4)CC3)C[C@@H]1C2(Cl)Cl ZINC000792896554 1078018559 /nfs/dbraw/zinc/01/85/59/1078018559.db2.gz AGUSETSQTHXEEG-WMLDXEAASA-N 1 1 416.374 2.548 20 0 HFADMO C[C@@]12CC[N@@H+](CC(=O)N3CCN(C(=O)c4cccs4)CC3)C[C@@H]1C2(Cl)Cl ZINC000792896554 1078018563 /nfs/dbraw/zinc/01/85/63/1078018563.db2.gz AGUSETSQTHXEEG-WMLDXEAASA-N 1 1 416.374 2.548 20 0 HFADMO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000792942313 1078022589 /nfs/dbraw/zinc/02/25/89/1078022589.db2.gz ZFRJCXQECZUYSO-JTAQYXEDSA-N 1 1 404.551 2.986 20 0 HFADMO CC(C)(C)OC(=O)NCC[N@@H+](CCc1ccccc1)CC1CCS(=O)(=O)CC1 ZINC000792931325 1078027940 /nfs/dbraw/zinc/02/79/40/1078027940.db2.gz QOGAOKUTQVDGFJ-UHFFFAOYSA-N 1 1 410.580 2.881 20 0 HFADMO C[C@H](NC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1nnnn1C1CC1 ZINC000790436773 1078030575 /nfs/dbraw/zinc/03/05/75/1078030575.db2.gz KFSGJJFFUAYDJH-XTQGRXLLSA-N 1 1 421.908 2.854 20 0 HFADMO O=C(NC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1)OCc1ccccc1 ZINC000792951279 1078033443 /nfs/dbraw/zinc/03/34/43/1078033443.db2.gz QTNZMZIYOWCAOF-SFTDATJTSA-N 1 1 414.550 2.819 20 0 HFADMO COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000790450821 1078035440 /nfs/dbraw/zinc/03/54/40/1078035440.db2.gz QBPLHBFJYVYMSX-CQSZACIVSA-N 1 1 423.348 2.996 20 0 HFADMO COC(=O)Nc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000747094677 1078035726 /nfs/dbraw/zinc/03/57/26/1078035726.db2.gz FCSBVPDTBVZQQO-XLIONFOSSA-N 1 1 412.490 2.869 20 0 HFADMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792981160 1078039782 /nfs/dbraw/zinc/03/97/82/1078039782.db2.gz QYUDMPFSLDXHGG-ZDUSSCGKSA-N 1 1 411.344 2.799 20 0 HFADMO COc1ccc(CN(CCc2ccccn2)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000792990175 1078042185 /nfs/dbraw/zinc/04/21/85/1078042185.db2.gz QEAPOAOHVHUYGV-GGAORHGYSA-N 1 1 424.545 2.708 20 0 HFADMO COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)c2c(Cl)nc3sccn32)cc1 ZINC000790484441 1078042214 /nfs/dbraw/zinc/04/22/14/1078042214.db2.gz UGNWMTGRDJTNMH-CYBMUJFWSA-N 1 1 414.940 2.639 20 0 HFADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(c3ccccc3)CC2)[C@H](C)C1 ZINC000806225168 1079507792 /nfs/dbraw/zinc/50/77/92/1079507792.db2.gz GMTGAUKSVXHLDP-DENIHFKCSA-N 1 1 415.578 2.646 20 0 HFADMO O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)N1CC(O)(c2ccccc2)C1 ZINC000806257709 1079525390 /nfs/dbraw/zinc/52/53/90/1079525390.db2.gz OUYMNVPVUANUOP-UHFFFAOYSA-N 1 1 420.513 2.709 20 0 HFADMO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000806301773 1079554075 /nfs/dbraw/zinc/55/40/75/1079554075.db2.gz WLPUFMZQYKPKBU-QMMLZNLJSA-N 1 1 423.561 2.737 20 0 HFADMO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N[C@H]1C[N@@H+](Cc3ccccc3)C[C@H]1C)CCC2 ZINC000806303678 1079556344 /nfs/dbraw/zinc/55/63/44/1079556344.db2.gz QGLFVRVJUSYJLV-UIFIKXQLSA-N 1 1 423.561 2.594 20 0 HFADMO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000806309387 1079563594 /nfs/dbraw/zinc/56/35/94/1079563594.db2.gz DVPGKUXDEIXEQH-PMACEKPBSA-N 1 1 402.539 2.960 20 0 HFADMO CCCNC(=O)OC[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000806309399 1079563978 /nfs/dbraw/zinc/56/39/78/1079563978.db2.gz FBOZWUWSVDPPPQ-WOJBJXKFSA-N 1 1 402.539 2.961 20 0 HFADMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000806295605 1079583846 /nfs/dbraw/zinc/58/38/46/1079583846.db2.gz RHLILINSMKYJCE-ROUUACIJSA-N 1 1 424.586 2.719 20 0 HFADMO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)CCC2 ZINC000806296461 1079585400 /nfs/dbraw/zinc/58/54/00/1079585400.db2.gz AJAXSDMGXDCIPE-SFHLNBCPSA-N 1 1 409.534 2.519 20 0 HFADMO CCCCC[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(C)(C)C ZINC000806321268 1079591900 /nfs/dbraw/zinc/59/19/00/1079591900.db2.gz SKUXKMQTQWIINT-WOJBJXKFSA-N 1 1 408.631 2.725 20 0 HFADMO CCCCC[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C(C)(C)C ZINC000806321268 1079591904 /nfs/dbraw/zinc/59/19/04/1079591904.db2.gz SKUXKMQTQWIINT-WOJBJXKFSA-N 1 1 408.631 2.725 20 0 HFADMO O=C(c1cc(Br)ncc1Cl)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000806434716 1079682109 /nfs/dbraw/zinc/68/21/09/1079682109.db2.gz SNICBKDEYLBNNN-GFCCVEGCSA-N 1 1 402.720 2.824 20 0 HFADMO CCCc1ccc(N2C[C@H](C(=O)N3CC[N@@H+](CCOC)CC3(C)C)CC2=O)cc1 ZINC001130635760 1079726396 /nfs/dbraw/zinc/72/63/96/1079726396.db2.gz OLPKHOACXVIXNB-LJQANCHMSA-N 1 1 401.551 2.561 20 0 HFADMO CC(C)[N@@H+]1CC[C@H](NC(=O)N=c2ccnc3n(C)[nH]cc2-3)[C@H]1c1ccc(F)c(F)c1 ZINC000806493625 1079745703 /nfs/dbraw/zinc/74/57/03/1079745703.db2.gz ZZGQIPJWPSKWOG-RBUKOAKNSA-N 1 1 414.460 2.966 20 0 HFADMO CC(C)[N@H+]1CC[C@H](NC(=O)N=c2ccnc3n(C)[nH]cc2-3)[C@H]1c1ccc(F)c(F)c1 ZINC000806493625 1079745706 /nfs/dbraw/zinc/74/57/06/1079745706.db2.gz ZZGQIPJWPSKWOG-RBUKOAKNSA-N 1 1 414.460 2.966 20 0 HFADMO CCCNC(=O)OC[C@H]1CCCCN1C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000806495572 1079747355 /nfs/dbraw/zinc/74/73/55/1079747355.db2.gz UHFGIKJZTJXYGB-GOSISDBHSA-N 1 1 414.510 2.776 20 0 HFADMO CCN(C(=O)C(=O)NC[C@@H]1CSCCS1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000806474686 1079761358 /nfs/dbraw/zinc/76/13/58/1079761358.db2.gz DBUCQHBGWWENFG-BHIYHBOVSA-N 1 1 421.632 2.635 20 0 HFADMO Cc1ccc(CC(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)c(Cl)n1 ZINC000806541895 1079780667 /nfs/dbraw/zinc/78/06/67/1079780667.db2.gz IYLDFKOZUDVIBX-UHFFFAOYSA-N 1 1 400.910 2.541 20 0 HFADMO COC(=O)[C@]1(NC(=O)c2ccc3cccnc3n2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001130660747 1079808038 /nfs/dbraw/zinc/80/80/38/1079808038.db2.gz NHLRWKNCQLPYDQ-QHCPKHFHSA-N 1 1 404.470 2.567 20 0 HFADMO COC(=O)[C@@H]1CC[C@H](NC2(C(=O)OC)CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC001170510048 1079828977 /nfs/dbraw/zinc/82/89/77/1079828977.db2.gz RLUKMVNHSPMBKX-AEFFLSMTSA-N 1 1 408.926 2.779 20 0 HFADMO C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCCc2ccc(Cl)nc2)[C@H]1c1cccs1 ZINC000806596511 1079838047 /nfs/dbraw/zinc/83/80/47/1079838047.db2.gz YHZUNNGFJISILQ-YJBOKZPZSA-N 1 1 420.966 2.655 20 0 HFADMO O=C(N1CC[C@@H]2NC(=O)CC[C@@H]2C1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001130690247 1079851544 /nfs/dbraw/zinc/85/15/44/1079851544.db2.gz KPXRPGILOAGOSC-UWVAXJGDSA-N 1 1 409.452 2.568 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000747342001 1079873590 /nfs/dbraw/zinc/87/35/90/1079873590.db2.gz JIVMWTSEYNLECZ-XPNTWCBSSA-N 1 1 404.514 2.973 20 0 HFADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000747342029 1079874451 /nfs/dbraw/zinc/87/44/51/1079874451.db2.gz JRPXQWVMRIAYGZ-SFTDATJTSA-N 1 1 421.541 2.671 20 0 HFADMO Cc1cccn2cc(COc3ccc(C(=O)NC[C@H]4C[N@H+]5CCC[C@H]5CO4)cc3)nc12 ZINC000747341899 1079875966 /nfs/dbraw/zinc/87/59/66/1079875966.db2.gz IPBLNLHOYOFCHO-UNMCSNQZSA-N 1 1 420.513 2.815 20 0 HFADMO C[NH+]1CCC(N2CCC(NC(=O)c3cc(Br)ncc3Cl)CC2)CC1 ZINC000806708767 1079937728 /nfs/dbraw/zinc/93/77/28/1079937728.db2.gz BABSKAROXCHCKH-UHFFFAOYSA-N 1 1 415.763 2.786 20 0 HFADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)C1 ZINC000806741287 1079949210 /nfs/dbraw/zinc/94/92/10/1079949210.db2.gz YPMJOVHLLFPACU-VGWMRTNUSA-N 1 1 406.493 2.594 20 0 HFADMO CC[C@@H]1CN(C(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000806728581 1079951294 /nfs/dbraw/zinc/95/12/94/1079951294.db2.gz RFFRJZQISFHTDO-JOCHJYFZSA-N 1 1 423.557 2.653 20 0 HFADMO CC[C@@H]1CN(C(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000806728581 1079951297 /nfs/dbraw/zinc/95/12/97/1079951297.db2.gz RFFRJZQISFHTDO-JOCHJYFZSA-N 1 1 423.557 2.653 20 0 HFADMO CCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000806727001 1079951365 /nfs/dbraw/zinc/95/13/65/1079951365.db2.gz LBYWZLADWHNMDB-LEWJYISDSA-N 1 1 416.566 2.861 20 0 HFADMO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000806727003 1079951380 /nfs/dbraw/zinc/95/13/80/1079951380.db2.gz LBYWZLADWHNMDB-RTWAWAEBSA-N 1 1 416.566 2.861 20 0 HFADMO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000806731118 1079957380 /nfs/dbraw/zinc/95/73/80/1079957380.db2.gz CLHDVXIZJGAHJV-MOPGFXCFSA-N 1 1 423.557 2.652 20 0 HFADMO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000806731118 1079957384 /nfs/dbraw/zinc/95/73/84/1079957384.db2.gz CLHDVXIZJGAHJV-MOPGFXCFSA-N 1 1 423.557 2.652 20 0 HFADMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000806770728 1079989617 /nfs/dbraw/zinc/98/96/17/1079989617.db2.gz YXNRISZXNJQNDD-AQNXPRMDSA-N 1 1 424.586 2.720 20 0 HFADMO CN1CC[NH+](CCCOc2ccc(NC(=O)c3ccc(OC(F)F)nc3)cc2)CC1 ZINC001130741962 1080004570 /nfs/dbraw/zinc/00/45/70/1080004570.db2.gz GKWCIKRFUSMIOS-UHFFFAOYSA-N 1 1 420.460 2.952 20 0 HFADMO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)CCC2 ZINC000806788331 1080009650 /nfs/dbraw/zinc/00/96/50/1080009650.db2.gz UBQMENLTZZYYSC-AEFFLSMTSA-N 1 1 404.580 2.858 20 0 HFADMO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)CCC2 ZINC000806788334 1080009705 /nfs/dbraw/zinc/00/97/05/1080009705.db2.gz UBQMENLTZZYYSC-WMZOPIPTSA-N 1 1 404.580 2.858 20 0 HFADMO C[C@H](NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1)[C@@H]1C[N@H+](C)CCO1 ZINC000806802809 1080019899 /nfs/dbraw/zinc/01/98/99/1080019899.db2.gz XVXCXDXRLQAZMV-WPRPVWTQSA-N 1 1 411.222 2.704 20 0 HFADMO C[C@H](NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000806802809 1080019907 /nfs/dbraw/zinc/01/99/07/1080019907.db2.gz XVXCXDXRLQAZMV-WPRPVWTQSA-N 1 1 411.222 2.704 20 0 HFADMO CSc1nc(=O)[nH]c(C)c1C(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000747353143 1080024863 /nfs/dbraw/zinc/02/48/63/1080024863.db2.gz CLGUWWRSHMNBDT-UHFFFAOYSA-N 1 1 409.515 2.719 20 0 HFADMO Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000747359812 1080031070 /nfs/dbraw/zinc/03/10/70/1080031070.db2.gz KVYRHOFNMPCODR-LJQANCHMSA-N 1 1 411.550 2.723 20 0 HFADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000806834680 1080047175 /nfs/dbraw/zinc/04/71/75/1080047175.db2.gz FQADHEJMZUPWAQ-OALUTQOASA-N 1 1 418.582 2.641 20 0 HFADMO C[N@@H+]1CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)C[C@@H]1Cc1ccccc1 ZINC000806853099 1080058651 /nfs/dbraw/zinc/05/86/51/1080058651.db2.gz QIVCGHODBXWDRC-VQTJNVASSA-N 1 1 416.566 2.858 20 0 HFADMO C[N@H+]1CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)C[C@@H]1Cc1ccccc1 ZINC000806853099 1080058660 /nfs/dbraw/zinc/05/86/60/1080058660.db2.gz QIVCGHODBXWDRC-VQTJNVASSA-N 1 1 416.566 2.858 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2cnn(CC(C)C)c2C2CC2)cn1 ZINC000806857687 1080061248 /nfs/dbraw/zinc/06/12/48/1080061248.db2.gz ZRQQDJWCRBISBO-UHFFFAOYSA-N 1 1 421.505 2.561 20 0 HFADMO CC(C)(O)c1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000806869569 1080070037 /nfs/dbraw/zinc/07/00/37/1080070037.db2.gz XKWWCQFAUWFSTK-IBGZPJMESA-N 1 1 409.530 2.881 20 0 HFADMO C[C@@H](NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000806888807 1080084552 /nfs/dbraw/zinc/08/45/52/1080084552.db2.gz LSFKXONSLKJLLB-CYBMUJFWSA-N 1 1 407.902 2.549 20 0 HFADMO C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000806918665 1080087832 /nfs/dbraw/zinc/08/78/32/1080087832.db2.gz GDLUHGKVXHRBEC-SECBINFHSA-N 1 1 406.683 2.781 20 0 HFADMO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000806928579 1080096360 /nfs/dbraw/zinc/09/63/60/1080096360.db2.gz VHXWNDDIUSHSDU-HOJAQTOUSA-N 1 1 402.539 2.960 20 0 HFADMO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000806910644 1080116528 /nfs/dbraw/zinc/11/65/28/1080116528.db2.gz ARJCXQUDLSQNMF-IBGZPJMESA-N 1 1 408.518 2.956 20 0 HFADMO C[C@H](NC(=O)C(=O)Nc1cccc(C(C)(C)O)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000806964930 1080131666 /nfs/dbraw/zinc/13/16/66/1080131666.db2.gz HNGGZFMHVSEXHV-PKOBYXMFSA-N 1 1 409.530 2.879 20 0 HFADMO CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000806953105 1080163556 /nfs/dbraw/zinc/16/35/56/1080163556.db2.gz HGWTUJVVJJYSCR-RLLQIKCJSA-N 1 1 402.539 2.960 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000806953775 1080163786 /nfs/dbraw/zinc/16/37/86/1080163786.db2.gz JNHGAPCYADPTEQ-GMBSWORKSA-N 1 1 413.440 2.786 20 0 HFADMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3CCCN3C(=O)C(F)(F)F)cc2)C1 ZINC000806978907 1080187504 /nfs/dbraw/zinc/18/75/04/1080187504.db2.gz JAVCFNCAJSANQN-WMLDXEAASA-N 1 1 413.440 2.899 20 0 HFADMO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000807084138 1080261751 /nfs/dbraw/zinc/26/17/51/1080261751.db2.gz 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HFADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)OC(C)(C)C)c(OC)c2)[C@@H](C)C1 ZINC000807318287 1080511092 /nfs/dbraw/zinc/51/10/92/1080511092.db2.gz ILNOIMQUMBMPDS-AWEZNQCLSA-N 1 1 420.510 2.533 20 0 HFADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)OC(C)(C)C)c(OC)c2)[C@@H](C)C1 ZINC000807318287 1080511095 /nfs/dbraw/zinc/51/10/95/1080511095.db2.gz ILNOIMQUMBMPDS-AWEZNQCLSA-N 1 1 420.510 2.533 20 0 HFADMO CC(C)COC(=O)Nc1cccc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000807357843 1080519584 /nfs/dbraw/zinc/51/95/84/1080519584.db2.gz JCUHDOLYVPIZFQ-DFNIBXOVSA-N 1 1 416.522 2.913 20 0 HFADMO CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)cc1)C(C)C ZINC001130919819 1080556995 /nfs/dbraw/zinc/55/69/95/1080556995.db2.gz NXYWTUPAYPWHTI-IAGOWNOFSA-N 1 1 420.497 2.964 20 0 HFADMO Cc1csc([C@@H](C)CNC(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000807350878 1080557015 /nfs/dbraw/zinc/55/70/15/1080557015.db2.gz VQVAQXTWHKORSH-KSFYIVLOSA-N 1 1 414.575 2.700 20 0 HFADMO 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NUINLXZTLYZNJZ-UHFFFAOYSA-N 1 1 414.937 2.783 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000807558754 1080812988 /nfs/dbraw/zinc/81/29/88/1080812988.db2.gz GPPVPMGPCAIGCD-SJLPKXTDSA-N 1 1 414.937 2.686 20 0 HFADMO CC(C)OCc1noc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC001196104768 1126153602 /nfs/dbraw/zinc/15/36/02/1126153602.db2.gz PPBJLLGVMALUBU-GOSISDBHSA-N 1 1 410.312 2.767 20 0 HFADMO COC(=O)c1cc2cnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc2n1C ZINC001164629194 719095213 /nfs/dbraw/zinc/09/52/13/719095213.db2.gz RAPJFXFAAHKBQX-PXNSSMCTSA-N 1 1 405.502 2.856 20 0 HFADMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc2c(ncnc2Cl)n1S(=O)(=O)c1ccccc1 ZINC001164634856 719227337 /nfs/dbraw/zinc/22/73/37/719227337.db2.gz HTXKZJIPKJRZJC-ZIAGYGMSSA-N 1 1 419.938 2.851 20 0 HFADMO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)cc4cc(F)ccc43)CC2)C1=O ZINC001164636661 719267609 /nfs/dbraw/zinc/26/76/09/719267609.db2.gz JONCQHHIPWCVKV-UHFFFAOYSA-N 1 1 420.916 2.787 20 0 HFADMO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)cc4cc(F)ccc43)CC2)C1=O ZINC001164636661 719267613 /nfs/dbraw/zinc/26/76/13/719267613.db2.gz JONCQHHIPWCVKV-UHFFFAOYSA-N 1 1 420.916 2.787 20 0 HFADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4O[C@@H](c5nc(C6CC6)cs5)C[C@H]4C3)n2)CC1 ZINC001164645590 719290530 /nfs/dbraw/zinc/29/05/30/719290530.db2.gz KZVVHSIVPGIEAP-JQHSSLGASA-N 1 1 412.563 2.529 20 0 HFADMO COC(=O)c1cc2ccncc2nc1N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001164648356 719311689 /nfs/dbraw/zinc/31/16/89/719311689.db2.gz IPGCCRLSAOLKDS-UHFFFAOYSA-N 1 1 408.506 2.818 20 0 HFADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)COc1ccc(Cl)nn1)CC2 ZINC001164652057 719314944 /nfs/dbraw/zinc/31/49/44/719314944.db2.gz MNIDRVVBQUBLGQ-UHFFFAOYSA-N 1 1 414.888 2.999 20 0 HFADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc(Cn3ccccc3=O)cn1)CC2 ZINC001164651334 719315629 /nfs/dbraw/zinc/31/56/29/719315629.db2.gz JEFXQUFXEBUTMW-UHFFFAOYSA-N 1 1 406.534 2.693 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncnc3sc4c(c31)CC[C@H](C)C4)CC2 ZINC001164685960 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1 414.945 2.591 20 0 HFADMO COC(=O)c1cc(F)c(C)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164841459 720545355 /nfs/dbraw/zinc/54/53/55/720545355.db2.gz VYKRDUSTAPSBJK-FUHIMQAGSA-N 1 1 415.513 2.890 20 0 HFADMO CC(C)c1nc(N(C)C)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164836814 720561156 /nfs/dbraw/zinc/56/11/56/720561156.db2.gz LGBTWRIVXALKGH-CEXWTWQISA-N 1 1 412.586 2.635 20 0 HFADMO CNC(=O)c1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1Cl ZINC001164837387 720562938 /nfs/dbraw/zinc/56/29/38/720562938.db2.gz MEROHIVKAOCHPD-LZLYRXPVSA-N 1 1 416.957 2.669 20 0 HFADMO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc[nH]c4nc(=S)sc3-4)CC[C@@H]21 ZINC001164843556 720593696 /nfs/dbraw/zinc/59/36/96/720593696.db2.gz YCHQWTCAKOPDAW-ILXRZTDVSA-N 1 1 415.592 2.949 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc[nH]c4nc(=S)sc3-4)CC[C@@H]21 ZINC001164843556 720593703 /nfs/dbraw/zinc/59/37/03/720593703.db2.gz YCHQWTCAKOPDAW-ILXRZTDVSA-N 1 1 415.592 2.949 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4c3ncn4C3CC3)CC[C@@H]21 ZINC001164841509 720611266 /nfs/dbraw/zinc/61/12/66/720611266.db2.gz SLFWPBNIWCNRHZ-WDSOQIARSA-N 1 1 406.538 2.736 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(C(N)=O)cc4ccccc43)CC[C@@H]21 ZINC001164842215 720616959 /nfs/dbraw/zinc/61/69/59/720616959.db2.gz UQFOKAWQCCKYCH-DXIQSLLYSA-N 1 1 418.545 2.908 20 0 HFADMO Fc1ccc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164738130 720630102 /nfs/dbraw/zinc/63/01/02/720630102.db2.gz AJKUNXLIIJFRLD-KGLIPLIRSA-N 1 1 400.845 2.554 20 0 HFADMO CCOC(=O)Cc1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164838215 720645672 /nfs/dbraw/zinc/64/56/72/720645672.db2.gz GIFYUTCIILOZMT-PCCBWWKXSA-N 1 1 411.550 2.762 20 0 HFADMO Cc1cc2c(nc(Cl)nc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)s1 ZINC001164740079 720664721 /nfs/dbraw/zinc/66/47/21/720664721.db2.gz PPCKHFBNVAJARI-OLZOCXBDSA-N 1 1 402.911 2.785 20 0 HFADMO Cc1cc2c(nc(Cl)nc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)s1 ZINC001164740080 720665493 /nfs/dbraw/zinc/66/54/93/720665493.db2.gz PPCKHFBNVAJARI-QWHCGFSZSA-N 1 1 402.911 2.785 20 0 HFADMO CCOC(=O)Cc1cnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839754 720696085 /nfs/dbraw/zinc/69/60/85/720696085.db2.gz BOPNVHDYWDUFET-NRFANRHFSA-N 1 1 424.545 2.842 20 0 HFADMO Clc1ncc(-c2ccccc2)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164737575 720702211 /nfs/dbraw/zinc/70/22/11/720702211.db2.gz GJBFLGKVYKCXTM-IAGOWNOFSA-N 1 1 408.893 2.929 20 0 HFADMO Clc1ccc2[nH]c3ncnc(N4CC[N@H+]5C[C@H](Oc6cncnc6)C[C@H]5C4)c3c2c1 ZINC001164741621 720750106 /nfs/dbraw/zinc/75/01/06/720750106.db2.gz MTTDGQYHUYGZES-LSDHHAIUSA-N 1 1 421.892 2.896 20 0 HFADMO Clc1ccc2[nH]c3ncnc(N4CC[N@H+]5C[C@H](Oc6cncnc6)C[C@@H]5C4)c3c2c1 ZINC001164741609 720750336 /nfs/dbraw/zinc/75/03/36/720750336.db2.gz MTTDGQYHUYGZES-HUUCEWRRSA-N 1 1 421.892 2.896 20 0 HFADMO Fc1ccc2c(Cl)nnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164748301 720791925 /nfs/dbraw/zinc/79/19/25/720791925.db2.gz QNPKPPMBMQQWAK-KGLIPLIRSA-N 1 1 400.845 2.554 20 0 HFADMO Fc1ccc2nc(C(F)F)nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164744224 720800301 /nfs/dbraw/zinc/80/03/01/720800301.db2.gz IBYDIQUZSRVCIW-UONOGXRCSA-N 1 1 416.407 2.838 20 0 HFADMO Cc1c(Cl)nc(CC(C)C)nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164751209 720800626 /nfs/dbraw/zinc/80/06/26/720800626.db2.gz XLOBUQXKEAQENY-HOTGVXAUSA-N 1 1 402.930 2.769 20 0 HFADMO Fc1ccc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743349 720815102 /nfs/dbraw/zinc/81/51/02/720815102.db2.gz FGDPWKDWMXXHDP-YRISNDGFSA-N 1 1 407.497 2.740 20 0 HFADMO CSc1ncc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164743853 720816232 /nfs/dbraw/zinc/81/62/32/720816232.db2.gz SVYMPGCXZKKVCI-ZMSDIMECSA-N 1 1 419.986 2.823 20 0 HFADMO FC(F)(c1cnc(Cl)nc1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738413 720816945 /nfs/dbraw/zinc/81/69/45/720816945.db2.gz FQDRBGSIONQAFM-DJIMGWMZSA-N 1 1 423.899 2.646 20 0 HFADMO FC(F)(c1ccc(Cl)nn1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738388 720817328 /nfs/dbraw/zinc/81/73/28/720817328.db2.gz FENXMROIRXSZSU-HRCADAONSA-N 1 1 423.899 2.646 20 0 HFADMO Clc1nc2cnccc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164739845 720821498 /nfs/dbraw/zinc/82/14/98/720821498.db2.gz JBZIHSGSQYZXGL-FRQCXROJSA-N 1 1 424.940 2.649 20 0 HFADMO Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2ccccc12 ZINC001164738832 720825266 /nfs/dbraw/zinc/82/52/66/720825266.db2.gz GWSPLVZROSJPNM-WOIUINJBSA-N 1 1 403.534 2.909 20 0 HFADMO COc1ccc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743995 720828462 /nfs/dbraw/zinc/82/84/62/720828462.db2.gz TVUZPRUGUUMLSG-NJNPRVFISA-N 1 1 419.533 2.609 20 0 HFADMO FC(F)(c1cnnc(Cl)c1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737671 720829122 /nfs/dbraw/zinc/82/91/22/720829122.db2.gz BRNKGOYZVGMZNA-DJIMGWMZSA-N 1 1 423.899 2.646 20 0 HFADMO Cc1[nH]c2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1C ZINC001164737382 720830882 /nfs/dbraw/zinc/83/08/82/720830882.db2.gz AQDANPSLYDOKDO-CEXWTWQISA-N 1 1 406.538 2.546 20 0 HFADMO COc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ncc2c1 ZINC001164742083 720831424 /nfs/dbraw/zinc/83/14/24/720831424.db2.gz PRVRBNSQPJTESM-NNMXDRDESA-N 1 1 419.533 2.609 20 0 HFADMO COc1ccc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739347 720832963 /nfs/dbraw/zinc/83/29/63/720832963.db2.gz AAVBSKWGVRNVOJ-YESZJQIVSA-N 1 1 402.930 2.715 20 0 HFADMO COc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2ccccc21 ZINC001164747790 720834078 /nfs/dbraw/zinc/83/40/78/720834078.db2.gz RRDOJNSFXAHDBA-DBXWQHBBSA-N 1 1 419.533 2.609 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3nc(Cl)cc(Cl)n3)CC[C@@H]2C1 ZINC001164849795 720837427 /nfs/dbraw/zinc/83/74/27/720837427.db2.gz DEPZTJUEYRSYEZ-NEPJUHHUSA-N 1 1 411.280 2.502 20 0 HFADMO COc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164747695 720837943 /nfs/dbraw/zinc/83/79/43/720837943.db2.gz RJDCLHIPYRLFBZ-GPMSIDNRSA-N 1 1 402.930 2.715 20 0 HFADMO FC(F)(c1cncc(Cl)n1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748725 720841299 /nfs/dbraw/zinc/84/12/99/720841299.db2.gz URZHLFODMGZQKB-ARFHVFGLSA-N 1 1 423.899 2.646 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc4cc(F)c(F)cc4nc3Cl)CC[C@@H]2C1 ZINC001164850955 720849345 /nfs/dbraw/zinc/84/93/45/720849345.db2.gz FWIJHAKSUFHGHY-SJKOYZFVSA-N 1 1 412.868 2.735 20 0 HFADMO c1coc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)c1 ZINC001164751131 720851504 /nfs/dbraw/zinc/85/15/04/720851504.db2.gz QGEYEIJNTXMTHY-WSTZPKSXSA-N 1 1 405.506 2.708 20 0 HFADMO Cc1cc2cccnc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164748866 720854337 /nfs/dbraw/zinc/85/43/37/720854337.db2.gz MTMKDBXNSMJYDQ-NJDAHSKKSA-N 1 1 403.534 2.909 20 0 HFADMO CCc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)nc1C ZINC001164748131 720859787 /nfs/dbraw/zinc/85/97/87/720859787.db2.gz KJMZNHBVGAUBCX-YQVWRLOYSA-N 1 1 415.973 2.972 20 0 HFADMO CCOC(=O)c1cc2ccccc2nc1N1CC[C@H]2C[N@@H+](CCOC)CCO[C@H]2C1 ZINC001164858181 720864884 /nfs/dbraw/zinc/86/48/84/720864884.db2.gz RMMKVPRXJLPMQM-RXVVDRJESA-N 1 1 413.518 2.585 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3ccc(-c4ccccc4Cl)nn3)CC[C@@H]2C1 ZINC001164858323 720864901 /nfs/dbraw/zinc/86/49/01/720864901.db2.gz RWOHIABNFUDQIK-UZLBHIALSA-N 1 1 402.926 2.971 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc(-c4ccccc4Cl)nn3)CC[C@H]2C1 ZINC001164858313 720865164 /nfs/dbraw/zinc/86/51/64/720865164.db2.gz RWOHIABNFUDQIK-OXJNMPFZSA-N 1 1 402.926 2.971 20 0 HFADMO CN(C)c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164751520 720869727 /nfs/dbraw/zinc/86/97/27/720869727.db2.gz KRVKELMKNBAFPF-XUZZJYLKSA-N 1 1 422.577 2.693 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(-c4nc(C(C)(C)C)no4)ccn3)CC[C@@H]2C1 ZINC001164857417 720870350 /nfs/dbraw/zinc/87/03/50/720870350.db2.gz QTAXYUMQCZJRKV-QZTJIDSGSA-N 1 1 415.538 2.603 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c(Cl)nccc43)CC[C@H]2C1 ZINC001164859979 720872875 /nfs/dbraw/zinc/87/28/75/720872875.db2.gz NUDLUBPMYQQOQG-GXTWGEPZSA-N 1 1 412.321 2.505 20 0 HFADMO CN(C)c1cncc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753317 720874309 /nfs/dbraw/zinc/87/43/09/720874309.db2.gz OZJXGRMOWVZCSI-XUZZJYLKSA-N 1 1 422.577 2.693 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4oc(-c5ccc(C)cc5)nc43)CC[C@H]2C1 ZINC001164864707 720877801 /nfs/dbraw/zinc/87/78/01/720877801.db2.gz WOUPVBHLSWPDCS-RBUKOAKNSA-N 1 1 423.517 2.767 20 0 HFADMO [O-][n+]1cc(F)ccc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755472 720880862 /nfs/dbraw/zinc/88/08/62/720880862.db2.gz XMMYALWWHZDBOF-NFBKMPQASA-N 1 1 412.509 2.609 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc(-c4c(F)cccc4F)nn3)CC[C@@H]2C1 ZINC001164857627 720881103 /nfs/dbraw/zinc/88/11/03/720881103.db2.gz KCDNWITWBTVRLY-DNVCBOLYSA-N 1 1 404.461 2.595 20 0 HFADMO COC(=O)CSc1cccc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164862395 720990532 /nfs/dbraw/zinc/99/05/32/720990532.db2.gz SGPJSPAMFHLEQT-OAHLLOKOSA-N 1 1 403.552 2.965 20 0 HFADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nnc(Cl)c3c1N(C)CCO3)[C@@H]2C ZINC001164859799 720992271 /nfs/dbraw/zinc/99/22/71/720992271.db2.gz MRZYHAPJZWDFML-CYBMUJFWSA-N 1 1 405.934 2.577 20 0 HFADMO FC(F)(COc1ccnc(Cl)c1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164861140 721032407 /nfs/dbraw/zinc/03/24/07/721032407.db2.gz DAJSMAXUSZMOAE-UHFFFAOYSA-N 1 1 408.840 2.706 20 0 HFADMO Cn1cc(C(=O)N2CC[C@H]3[C@H]2CCN3c2nc(Cl)ccc2C[NH+]2CCCC2)cn1 ZINC001164760269 721036577 /nfs/dbraw/zinc/03/65/77/721036577.db2.gz CILAPXAMHNIOKU-ZWKOTPCHSA-N 1 1 414.941 2.558 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnn(C)c2)nc1 ZINC001164762221 721039014 /nfs/dbraw/zinc/03/90/14/721039014.db2.gz GWUSDTSVPMKZDD-HKBOAZHASA-N 1 1 408.550 2.855 20 0 HFADMO CC(C)(C)OC(=O)c1ccnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164867691 721057035 /nfs/dbraw/zinc/05/70/35/721057035.db2.gz JRMWYWQPXGLQJV-VQTJNVASSA-N 1 1 410.518 2.912 20 0 HFADMO COc1ccc2nc(Cl)nc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164762496 721072052 /nfs/dbraw/zinc/07/20/52/721072052.db2.gz FDGWUQQNEMPXKX-HZPDHXFCSA-N 1 1 412.925 2.984 20 0 HFADMO CC(C)(C)OC(=O)c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164865646 721087537 /nfs/dbraw/zinc/08/75/37/721087537.db2.gz NWDOVYSWAKSQNM-PMACEKPBSA-N 1 1 410.518 2.912 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(NC(=O)OC(C)(C)C)ncn4)C[C@H]3C2)cn1 ZINC001164762103 721089751 /nfs/dbraw/zinc/08/97/51/721089751.db2.gz CNDSYSFWCSRHSH-DLBZAZTESA-N 1 1 413.526 2.515 20 0 HFADMO Clc1nc2ncsc2c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164863314 721091286 /nfs/dbraw/zinc/09/12/86/721091286.db2.gz BSJSVANCWANCPH-KBPBESRZSA-N 1 1 402.911 2.614 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cncc(OCc5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164766546 721092555 /nfs/dbraw/zinc/09/25/55/721092555.db2.gz KTPXMAADUPRKID-RTWAWAEBSA-N 1 1 404.518 2.747 20 0 HFADMO Cc1nc2c(nc(Cl)nc2N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)s1 ZINC001164866950 721097082 /nfs/dbraw/zinc/09/70/82/721097082.db2.gz VLKATCPDRMNNID-CABCVRRESA-N 1 1 416.938 2.923 20 0 HFADMO Cc1nc2c(nc(Cl)nc2N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)s1 ZINC001164866952 721098152 /nfs/dbraw/zinc/09/81/52/721098152.db2.gz VLKATCPDRMNNID-HUUCEWRRSA-N 1 1 416.938 2.923 20 0 HFADMO COc1ccc2nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c(Cl)nc2c1 ZINC001164770958 721113851 /nfs/dbraw/zinc/11/38/51/721113851.db2.gz RQCRQLNOLUEIEB-JKSUJKDBSA-N 1 1 412.925 2.984 20 0 HFADMO c1ccc(COc2cnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)cn2)cc1 ZINC001164863745 721121034 /nfs/dbraw/zinc/12/10/34/721121034.db2.gz DALKTZPPZICYGZ-YADHBBJMSA-N 1 1 417.513 2.930 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)COc4ccnc(Cl)c4)C[C@H]3C2)cn1 ZINC001164769176 721123535 /nfs/dbraw/zinc/12/35/35/721123535.db2.gz PRFWRWWXQUXJST-HZPDHXFCSA-N 1 1 411.884 2.894 20 0 HFADMO CCOC(=O)c1cnc2cc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)[nH]cc1-2 ZINC001164881195 721135245 /nfs/dbraw/zinc/13/52/45/721135245.db2.gz ZRHPQBHNGZBFIN-MSOLQXFVSA-N 1 1 421.501 2.614 20 0 HFADMO CCOC(=O)c1cnc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c(Cl)c1 ZINC001164773313 721140136 /nfs/dbraw/zinc/14/01/36/721140136.db2.gz YEQYYQNRTQXRFU-WBVHZDCISA-N 1 1 403.914 2.604 20 0 HFADMO COc1ccc2nc(Cl)cc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2n1 ZINC001164765687 721144005 /nfs/dbraw/zinc/14/40/05/721144005.db2.gz KBJQVIUKBXVWBG-JKSUJKDBSA-N 1 1 412.925 2.984 20 0 HFADMO COC(=O)c1cc2ccccc2nc1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164765693 721165010 /nfs/dbraw/zinc/16/50/10/721165010.db2.gz IDDOUBHJSXNLCC-RTBURBONSA-N 1 1 405.502 2.713 20 0 HFADMO CC(C)n1cnc2c1nc(Cl)nc2N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164763407 721171801 /nfs/dbraw/zinc/17/18/01/721171801.db2.gz FVHHGPSHEUJJBL-HOTGVXAUSA-N 1 1 414.945 2.752 20 0 HFADMO CCOC(=O)c1nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)ccc1Cl ZINC001164761332 721177923 /nfs/dbraw/zinc/17/79/23/721177923.db2.gz APSJKAYDFQTELY-HOTGVXAUSA-N 1 1 403.914 2.604 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc5c(n4)-c4ccccc4CC5)C[C@H]3C2)cn1 ZINC001164772905 721179306 /nfs/dbraw/zinc/17/93/06/721179306.db2.gz VZLVFLLFQLXQTQ-LEWJYISDSA-N 1 1 400.530 2.934 20 0 HFADMO COC(=O)c1cc(Cl)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1C ZINC001164873668 721182633 /nfs/dbraw/zinc/18/26/33/721182633.db2.gz JWRAIRQWAPNGLO-IAGOWNOFSA-N 1 1 416.909 2.705 20 0 HFADMO COc1cc(C)c2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164867890 721198431 /nfs/dbraw/zinc/19/84/31/721198431.db2.gz IYMKVDJNZCUMTI-QUCCMNQESA-N 1 1 405.502 2.822 20 0 HFADMO COC(=O)c1cc2ccccc2c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164770917 721209376 /nfs/dbraw/zinc/20/93/76/721209376.db2.gz PFMXOMYEDDAFDJ-OALUTQOASA-N 1 1 405.502 2.713 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4nc5ccc(Cl)nc5[nH]4)C[C@H]3C2)cn1 ZINC001164770828 721212033 /nfs/dbraw/zinc/21/20/33/721212033.db2.gz ORRSYWAZJRXSEC-ZIAGYGMSSA-N 1 1 421.883 2.848 20 0 HFADMO C[NH+]1CCC(Oc2ccnc(N3CCC4(CC3)CN(c3ccccn3)CCO4)c2)CC1 ZINC001164873544 721222769 /nfs/dbraw/zinc/22/27/69/721222769.db2.gz RXNNNIDYNATGLB-UHFFFAOYSA-N 1 1 423.561 2.825 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)cc(-c5ccncc5)n4)C[C@H]3C2)cn1 ZINC001164759525 721238386 /nfs/dbraw/zinc/23/83/86/721238386.db2.gz ARTCWASUJRNOKV-ZWKOTPCHSA-N 1 1 409.925 2.884 20 0 HFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(-c4ccccc4)ccn3)CC2)C1 ZINC001164869360 721266339 /nfs/dbraw/zinc/26/63/39/721266339.db2.gz LOIICVZNHLTEOR-UHFFFAOYSA-N 1 1 408.546 2.756 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(NC4CC4)n3)C2)C1 ZINC001164777048 721330815 /nfs/dbraw/zinc/33/08/15/721330815.db2.gz KZSKPWAUWQJCLM-QFIPXVFZSA-N 1 1 412.538 2.775 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(NC4CC4)n3)C2)C1 ZINC001164777048 721330818 /nfs/dbraw/zinc/33/08/18/721330818.db2.gz KZSKPWAUWQJCLM-QFIPXVFZSA-N 1 1 412.538 2.775 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ncc3F)C2)C1 ZINC001164777473 721332882 /nfs/dbraw/zinc/33/28/82/721332882.db2.gz OHACMMVGMLJVSO-IBGZPJMESA-N 1 1 409.893 2.993 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ncc3F)C2)C1 ZINC001164777473 721332883 /nfs/dbraw/zinc/33/28/83/721332883.db2.gz OHACMMVGMLJVSO-IBGZPJMESA-N 1 1 409.893 2.993 20 0 HFADMO COc1cnnc(Cl)c1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164776838 721349404 /nfs/dbraw/zinc/34/94/04/721349404.db2.gz DEUIWBWUAXZINU-FQEVSTJZSA-N 1 1 421.929 2.862 20 0 HFADMO COc1cnnc(Cl)c1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164776838 721349405 /nfs/dbraw/zinc/34/94/05/721349405.db2.gz DEUIWBWUAXZINU-FQEVSTJZSA-N 1 1 421.929 2.862 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(Cl)c[n+]3[O-])C2)C1 ZINC001164780265 721364528 /nfs/dbraw/zinc/36/45/28/721364528.db2.gz FGIXBELCNAGDKX-FQEVSTJZSA-N 1 1 406.914 2.697 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(Cl)c[n+]3[O-])C2)C1 ZINC001164780265 721364532 /nfs/dbraw/zinc/36/45/32/721364532.db2.gz FGIXBELCNAGDKX-FQEVSTJZSA-N 1 1 406.914 2.697 20 0 HFADMO Cn1cc(N2C[C@@]3(CCN(c4nc(Cl)ccc4C[NH+]4CCCC4)C3)CC2=O)cn1 ZINC001164884091 721372133 /nfs/dbraw/zinc/37/21/33/721372133.db2.gz BTTUYXXFLKRONM-NRFANRHFSA-N 1 1 414.941 2.698 20 0 HFADMO Cc1nc2sccc2c(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164888598 721378774 /nfs/dbraw/zinc/37/87/74/721378774.db2.gz KHBRPCLDRQNONH-UWJYYQICSA-N 1 1 401.580 2.765 20 0 HFADMO Cc1nc2ccsc2c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164889274 721380263 /nfs/dbraw/zinc/38/02/63/721380263.db2.gz LLIUQXRESJKKRE-LAUBAEHRSA-N 1 1 401.580 2.765 20 0 HFADMO CCOC(=O)c1nc2ccccc2c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164786613 721393946 /nfs/dbraw/zinc/39/39/46/721393946.db2.gz OIFWZFARZYXTKT-HUUCEWRRSA-N 1 1 409.515 2.831 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)cnc4Cl)C3)O2)CC1 ZINC001164883994 721407122 /nfs/dbraw/zinc/40/71/22/721407122.db2.gz CUCRECPWUKMOAD-KBXCAEBGSA-N 1 1 400.354 2.549 20 0 HFADMO CN(C)c1nc(-c2ccccc2)nc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164785056 721416084 /nfs/dbraw/zinc/41/60/84/721416084.db2.gz MFAQLXPFJWJCIK-IRXDYDNUSA-N 1 1 407.547 2.629 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5cccs5)nn4)C3)O2)CC1 ZINC001164887714 721421012 /nfs/dbraw/zinc/42/10/12/721421012.db2.gz MNXFANAGUFPIFL-AVRDEDQJSA-N 1 1 413.591 2.971 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(-c5cccs5)nn4)C3)O2)CC1 ZINC001164887717 721421224 /nfs/dbraw/zinc/42/12/24/721421224.db2.gz MNXFANAGUFPIFL-XMSQKQJNSA-N 1 1 413.591 2.971 20 0 HFADMO CC(C)COc1cccc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164897766 721427626 /nfs/dbraw/zinc/42/76/26/721427626.db2.gz URUNZTGJWCOVIM-NFBKMPQASA-N 1 1 402.583 2.882 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccncc5)cn4)C3)O2)CC1 ZINC001164893668 721431784 /nfs/dbraw/zinc/43/17/84/721431784.db2.gz JWPHVIMOPXHNDS-UPVQGACJSA-N 1 1 407.562 2.909 20 0 HFADMO Cc1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(-c2ccncc2)n1 ZINC001164896109 721432738 /nfs/dbraw/zinc/43/27/38/721432738.db2.gz QNGVIJNYBBHLAT-URXFXBBRSA-N 1 1 422.577 2.612 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(-c5cccs5)ncn4)C3)O2)CC1 ZINC001164896700 721438033 /nfs/dbraw/zinc/43/80/33/721438033.db2.gz RTTUZHSMSMEGCJ-XMSQKQJNSA-N 1 1 413.591 2.971 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(C(=O)OC)n1)CC2 ZINC001164788640 721450709 /nfs/dbraw/zinc/45/07/09/721450709.db2.gz RXSJHNNLPBUTRA-IBGZPJMESA-N 1 1 417.550 2.602 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3c1ccn3C)CC2 ZINC001164786013 721453412 /nfs/dbraw/zinc/45/34/12/721453412.db2.gz MAESQVBRFIUABE-IBGZPJMESA-N 1 1 413.566 2.702 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3c1ccn3C)CC2 ZINC001164786014 721453428 /nfs/dbraw/zinc/45/34/28/721453428.db2.gz MAESQVBRFIUABE-LJQANCHMSA-N 1 1 413.566 2.702 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(OC)nc(C)n1)CC2 ZINC001164784719 721459100 /nfs/dbraw/zinc/45/91/00/721459100.db2.gz JVJHCZKCLBRQDS-LJQANCHMSA-N 1 1 404.555 2.528 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(OC)cc(OC)n1)CC2 ZINC001164789393 721459356 /nfs/dbraw/zinc/45/93/56/721459356.db2.gz XQBLCCGDGNBGBS-IBGZPJMESA-N 1 1 419.566 2.833 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3cccnc3n1)CC2 ZINC001164789932 721461034 /nfs/dbraw/zinc/46/10/34/721461034.db2.gz YPBKLIHFTBOKPN-FQEVSTJZSA-N 1 1 411.550 2.759 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3onc(C)c31)CC2 ZINC001164790614 721470112 /nfs/dbraw/zinc/47/01/12/721470112.db2.gz SGHANDQHZIZTGZ-SFHVURJKSA-N 1 1 415.538 2.660 20 0 HFADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)cnc1C(N)=O)CC2 ZINC001164792020 721493454 /nfs/dbraw/zinc/49/34/54/721493454.db2.gz JZMQRTXBYZTFEY-UHFFFAOYSA-N 1 1 400.914 2.505 20 0 HFADMO COC(=O)c1c[nH]c2nc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)ccc12 ZINC001164900817 721524971 /nfs/dbraw/zinc/52/49/71/721524971.db2.gz VCRYDFOVENDLLE-NVXWUHKLSA-N 1 1 410.449 2.831 20 0 HFADMO COC(=O)c1cc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164811114 721531088 /nfs/dbraw/zinc/53/10/88/721531088.db2.gz YRIZYXKTPJZNTP-UWVAXJGDSA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1cc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164811114 721531090 /nfs/dbraw/zinc/53/10/90/721531090.db2.gz YRIZYXKTPJZNTP-UWVAXJGDSA-N 1 1 416.909 2.785 20 0 HFADMO CCOC(=O)c1cc(F)cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164805169 721536033 /nfs/dbraw/zinc/53/60/33/721536033.db2.gz LADMBDALIPPHDL-HSALFYBXSA-N 1 1 414.481 2.661 20 0 HFADMO CCOC(=O)c1cc(F)cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164805169 721536035 /nfs/dbraw/zinc/53/60/35/721536035.db2.gz LADMBDALIPPHDL-HSALFYBXSA-N 1 1 414.481 2.661 20 0 HFADMO CCOC(=O)c1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(OC)c1 ZINC001164905857 721542018 /nfs/dbraw/zinc/54/20/18/721542018.db2.gz JHSDSLQICDTWEJ-HKUYNNGSSA-N 1 1 415.465 2.748 20 0 HFADMO Cn1ccc2c1nc(Cl)nc2N1C[C@@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164808430 721544997 /nfs/dbraw/zinc/54/49/97/721544997.db2.gz SDRLZAMIDOPHFB-KURKYZTESA-N 1 1 412.925 2.885 20 0 HFADMO Cn1ccc2c1nc(Cl)nc2N1C[C@@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164808430 721544999 /nfs/dbraw/zinc/54/49/99/721544999.db2.gz SDRLZAMIDOPHFB-KURKYZTESA-N 1 1 412.925 2.885 20 0 HFADMO CON(C)C(=O)c1cc(C)cnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164907624 721547265 /nfs/dbraw/zinc/54/72/65/721547265.db2.gz NQLFZHQWEFDRPA-PKOBYXMFSA-N 1 1 414.481 2.504 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3c2C(=O)OC3(C)C)[C@H]2CCCO[C@@H]12 ZINC001164809042 721548538 /nfs/dbraw/zinc/54/85/38/721548538.db2.gz UIEUUGILYLNCPQ-NLWGTHIKSA-N 1 1 408.502 2.750 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3c2C(=O)OC3(C)C)[C@H]2CCCO[C@@H]12 ZINC001164809042 721548542 /nfs/dbraw/zinc/54/85/42/721548542.db2.gz UIEUUGILYLNCPQ-NLWGTHIKSA-N 1 1 408.502 2.750 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnnc(Cl)c2)[C@H]2CCCO[C@@H]12 ZINC001164806743 721555103 /nfs/dbraw/zinc/55/51/03/721555103.db2.gz RMQALOQXHNYIAK-LZLYRXPVSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnnc(Cl)c2)[C@H]2CCCO[C@@H]12 ZINC001164806743 721555104 /nfs/dbraw/zinc/55/51/04/721555104.db2.gz RMQALOQXHNYIAK-LZLYRXPVSA-N 1 1 409.868 2.938 20 0 HFADMO COc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc2ccccc21 ZINC001164799636 721561629 /nfs/dbraw/zinc/56/16/29/721561629.db2.gz CZPMDLLDBLPKPQ-ACRUOGEOSA-N 1 1 405.502 2.902 20 0 HFADMO COc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc2ccccc21 ZINC001164799636 721561634 /nfs/dbraw/zinc/56/16/34/721561634.db2.gz CZPMDLLDBLPKPQ-ACRUOGEOSA-N 1 1 405.502 2.902 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(=O)N3CCCC3)ccn2)[C@@H]2CCCO[C@@H]12 ZINC001164802390 721568345 /nfs/dbraw/zinc/56/83/45/721568345.db2.gz IHECTZKYKXHTGK-MQSCRBSSSA-N 1 1 421.545 2.581 20 0 HFADMO COC(=O)/C=C/c1cc(C)cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164800284 721570705 /nfs/dbraw/zinc/57/07/05/721570705.db2.gz DMTQNVHCVYVHCB-TYWHGYAASA-N 1 1 422.529 2.839 20 0 HFADMO COC(=O)/C=C/c1cc(C)cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164800279 721570741 /nfs/dbraw/zinc/57/07/41/721570741.db2.gz DMTQNVHCVYVHCB-FTTFSELBSA-N 1 1 422.529 2.839 20 0 HFADMO CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c2CC[NH2+]C3)[C@@H]2CCCO[C@@H]12 ZINC001164807856 721573232 /nfs/dbraw/zinc/57/32/32/721573232.db2.gz TYBNYANGLWEXNT-SYYKKAFVSA-N 1 1 413.953 2.644 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCCCC3)ncn2)[C@H]2CCCO[C@@H]12 ZINC001164803937 721576338 /nfs/dbraw/zinc/57/63/38/721576338.db2.gz JWNYKBQEFPXFHD-MIZPHKNDSA-N 1 1 408.550 2.730 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccncc3)ncn2)[C@H]2CCCO[C@H]12 ZINC001164808924 721580756 /nfs/dbraw/zinc/58/07/56/721580756.db2.gz RUQYMMYFZXMHAV-XJUOHMSHSA-N 1 1 402.502 2.802 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccncc3)ncn2)[C@H]2CCCO[C@H]12 ZINC001164808924 721580758 /nfs/dbraw/zinc/58/07/58/721580758.db2.gz RUQYMMYFZXMHAV-XJUOHMSHSA-N 1 1 402.502 2.802 20 0 HFADMO COc1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(OC)n1 ZINC001164907054 721694293 /nfs/dbraw/zinc/69/42/93/721694293.db2.gz QNUGEJQRSHWJQL-LJQANCHMSA-N 1 1 405.449 2.627 20 0 HFADMO CCn1cnc2c1ncnc2N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164913138 721725361 /nfs/dbraw/zinc/72/53/61/721725361.db2.gz UISPVSRJOIDFHX-FQEVSTJZSA-N 1 1 413.476 2.979 20 0 HFADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(C(=O)NC3CC3)nn1)C2 ZINC001164910591 721763217 /nfs/dbraw/zinc/76/32/17/721763217.db2.gz ISORLUFLUXLXBX-UHFFFAOYSA-N 1 1 418.501 2.552 20 0 HFADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(C(=O)NC3CC3)nn1)C2 ZINC001164910591 721763225 /nfs/dbraw/zinc/76/32/25/721763225.db2.gz ISORLUFLUXLXBX-UHFFFAOYSA-N 1 1 418.501 2.552 20 0 HFADMO Cc1nc2sccc2c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912527 721767166 /nfs/dbraw/zinc/76/71/66/721767166.db2.gz YRYMYWLEURCXPX-NRFANRHFSA-N 1 1 411.531 2.503 20 0 HFADMO Cc1nc2sccc2c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912527 721767169 /nfs/dbraw/zinc/76/71/69/721767169.db2.gz YRYMYWLEURCXPX-NRFANRHFSA-N 1 1 411.531 2.503 20 0 HFADMO Cc1nc2cc(F)ccc2c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913267 721775889 /nfs/dbraw/zinc/77/58/89/721775889.db2.gz VBMQMSCTFMJHFE-QHCPKHFHSA-N 1 1 423.492 2.580 20 0 HFADMO Cc1nc2cc(F)ccc2c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913267 721775891 /nfs/dbraw/zinc/77/58/91/721775891.db2.gz VBMQMSCTFMJHFE-QHCPKHFHSA-N 1 1 423.492 2.580 20 0 HFADMO Fc1ccc2ccnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164914630 721784016 /nfs/dbraw/zinc/78/40/16/721784016.db2.gz FUGWHVBTWHPWRA-HSZRJFAPSA-N 1 1 408.477 2.877 20 0 HFADMO Fc1ccc2ccnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164914630 721784020 /nfs/dbraw/zinc/78/40/20/721784020.db2.gz FUGWHVBTWHPWRA-HSZRJFAPSA-N 1 1 408.477 2.877 20 0 HFADMO CNC(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165024728 721831255 /nfs/dbraw/zinc/83/12/55/721831255.db2.gz LAFHSVFAIXSSCM-LESCRADOSA-N 1 1 414.941 2.622 20 0 HFADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1cc(C(=O)N2CCCCC2)cc(Cl)n1 ZINC001164923598 721853768 /nfs/dbraw/zinc/85/37/68/721853768.db2.gz AXLJZKGWQBLEHG-QZTJIDSGSA-N 1 1 405.974 2.576 20 0 HFADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1cc(C(=O)N2CCCCC2)cc(Cl)n1 ZINC001164923598 721853769 /nfs/dbraw/zinc/85/37/69/721853769.db2.gz AXLJZKGWQBLEHG-QZTJIDSGSA-N 1 1 405.974 2.576 20 0 HFADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3cc[nH]c31)CC2 ZINC001164942442 721968826 /nfs/dbraw/zinc/96/88/26/721968826.db2.gz BSZZRWGQNVDEJH-UHFFFAOYSA-N 1 1 410.909 2.582 20 0 HFADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3cc[nH]c31)CC2 ZINC001164942442 721968828 /nfs/dbraw/zinc/96/88/28/721968828.db2.gz BSZZRWGQNVDEJH-UHFFFAOYSA-N 1 1 410.909 2.582 20 0 HFADMO COC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164956243 722019051 /nfs/dbraw/zinc/01/90/51/722019051.db2.gz ZYJQSBOLVQGORU-UHFFFAOYSA-N 1 1 406.490 2.632 20 0 HFADMO COC(=O)c1c[nH]c2ncnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164956243 722019053 /nfs/dbraw/zinc/01/90/53/722019053.db2.gz ZYJQSBOLVQGORU-UHFFFAOYSA-N 1 1 406.490 2.632 20 0 HFADMO COC(=O)c1c[nH]c2ncnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164956243 722019058 /nfs/dbraw/zinc/01/90/58/722019058.db2.gz ZYJQSBOLVQGORU-UHFFFAOYSA-N 1 1 406.490 2.632 20 0 HFADMO COc1ccc(CN(C)c2ccnc(N3CC[NH+](CCc4ccccn4)CC3)n2)cc1 ZINC001165055708 722019313 /nfs/dbraw/zinc/01/93/13/722019313.db2.gz SUSTYVVIBDTJOJ-UHFFFAOYSA-N 1 1 418.545 2.881 20 0 HFADMO Clc1nc2c(c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n1)COC2 ZINC001164964545 722054366 /nfs/dbraw/zinc/05/43/66/722054366.db2.gz VKZBIEGFAUKUPO-UHFFFAOYSA-N 1 1 415.925 2.674 20 0 HFADMO C=C(OCC)c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nn1 ZINC001164963846 722056180 /nfs/dbraw/zinc/05/61/80/722056180.db2.gz NROYTAUZFDXMIE-UHFFFAOYSA-N 1 1 409.534 2.998 20 0 HFADMO CCN(CC)c1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)ncn1 ZINC001164963333 722058525 /nfs/dbraw/zinc/05/85/25/722058525.db2.gz WSVKHNDJIRLGDW-UHFFFAOYSA-N 1 1 410.566 2.837 20 0 HFADMO Fc1ccc(Cn2ccc3c2ncnc3N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)cc1 ZINC001164967972 722072502 /nfs/dbraw/zinc/07/25/02/722072502.db2.gz WPEFBNKWPMJGPC-BGYRXZFFSA-N 1 1 407.493 2.918 20 0 HFADMO COC(=O)c1cnc(Cl)cc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978286 722100139 /nfs/dbraw/zinc/10/01/39/722100139.db2.gz GOZVRHDNPUWSBB-LPHOPBHVSA-N 1 1 416.909 2.644 20 0 HFADMO COC(=O)c1cc(Cl)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164985887 722102569 /nfs/dbraw/zinc/10/25/69/722102569.db2.gz XLAHKDARRWYHCX-SJLPKXTDSA-N 1 1 416.909 2.644 20 0 HFADMO FC(F)(c1ccc(Cl)nn1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980080 722105615 /nfs/dbraw/zinc/10/56/15/722105615.db2.gz JFAYCLFYZAIYGA-HOTGVXAUSA-N 1 1 409.868 2.797 20 0 HFADMO F[C@H](Oc1ccnc(Cl)c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976306 722108427 /nfs/dbraw/zinc/10/84/27/722108427.db2.gz LENXIFHATMFBTC-HQRMLTQVSA-N 1 1 406.889 2.985 20 0 HFADMO CC1(C)OC(=O)c2c1ccnc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981146 722111785 /nfs/dbraw/zinc/11/17/85/722111785.db2.gz TXIJHIOKGMIJKR-HKUYNNGSSA-N 1 1 408.502 2.609 20 0 HFADMO COC(=O)c1c(C)cc(C)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974905 722115079 /nfs/dbraw/zinc/11/50/79/722115079.db2.gz IVIDXQKPGHJLNK-VQTJNVASSA-N 1 1 410.518 2.607 20 0 HFADMO COc1c(Cl)nc(C)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981054 722117205 /nfs/dbraw/zinc/11/72/05/722117205.db2.gz SFHCFTPRGAATRX-DLBZAZTESA-N 1 1 403.914 2.569 20 0 HFADMO CC(C)(C)NC(=O)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164983120 722119203 /nfs/dbraw/zinc/11/92/03/722119203.db2.gz YIDFMNLLMZFBOS-NHCUHLMSSA-N 1 1 423.561 2.732 20 0 HFADMO CC(C)(C)NC(=O)c1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164980283 722132308 /nfs/dbraw/zinc/13/23/08/722132308.db2.gz MKSSRESKEJDJQH-SFTDATJTSA-N 1 1 423.561 2.732 20 0 HFADMO COC(OC)c1cc(C)cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980944 722133845 /nfs/dbraw/zinc/13/38/45/722133845.db2.gz NXSMBARUSYGQNQ-TZIWHRDSSA-N 1 1 412.534 2.804 20 0 HFADMO CSc1ncc(Cl)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976138 722137063 /nfs/dbraw/zinc/13/70/63/722137063.db2.gz HKBFOFCPPNYMOK-HZPDHXFCSA-N 1 1 405.955 2.974 20 0 HFADMO c1cc2c(nc(C3CC3)nc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)[nH]1 ZINC001164973057 722153952 /nfs/dbraw/zinc/15/39/52/722153952.db2.gz KNYRYKHKZFGPDU-QUCCMNQESA-N 1 1 404.518 2.958 20 0 HFADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4c5ccccc5[C@H](OCC5CC5)[C@@H]4C3)n2)CC1 ZINC001164980958 722171738 /nfs/dbraw/zinc/17/17/38/722171738.db2.gz ZDYFMPYBWOVQHU-XPNTWCBSSA-N 1 1 405.546 2.930 20 0 HFADMO Cc1nc(CN2CCO[C@@H]3CCN(c4nc(NC5CC5)cc[nH+]4)CC[C@@H]32)cs1 ZINC001164987946 722173618 /nfs/dbraw/zinc/17/36/18/722173618.db2.gz PPLKPQWOLVRVJN-ZWKOTPCHSA-N 1 1 400.552 2.686 20 0 HFADMO Cc1nc(CN2CCO[C@H]3CCN(c4nc(NC5CC5)cc[nH+]4)CC[C@H]32)cs1 ZINC001164987939 722173774 /nfs/dbraw/zinc/17/37/74/722173774.db2.gz PPLKPQWOLVRVJN-MSOLQXFVSA-N 1 1 400.552 2.686 20 0 HFADMO C[C@H]1C(=O)Nc2cnc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc2N1C ZINC001164995982 722200070 /nfs/dbraw/zinc/20/00/70/722200070.db2.gz RBCJPGPJCYDADY-NYHFZMIOSA-N 1 1 410.497 2.637 20 0 HFADMO COc1ccc2nc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)cc(C)c2c1 ZINC001164997217 722233758 /nfs/dbraw/zinc/23/37/58/722233758.db2.gz OALIIWSTYQBWFU-UHFFFAOYSA-N 1 1 418.545 2.699 20 0 HFADMO CSc1ccnc(Cl)c1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164997121 722235120 /nfs/dbraw/zinc/23/51/20/722235120.db2.gz KTGZIXXFJDRTOY-UHFFFAOYSA-N 1 1 404.971 2.604 20 0 HFADMO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000793045104 1078055122 /nfs/dbraw/zinc/05/51/22/1078055122.db2.gz LTKWNNYKDMJJQQ-WOJBJXKFSA-N 1 1 402.539 2.819 20 0 HFADMO CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000790599055 1078064068 /nfs/dbraw/zinc/06/40/68/1078064068.db2.gz RMXUHPKRDBOWHE-ZWKOTPCHSA-N 1 1 403.523 2.946 20 0 HFADMO O=C(OC[C@@H]1CCCC[N@H+]1CCCON1C(=O)c2ccccc2C1=O)N1CCCC1 ZINC001170141856 1078083688 /nfs/dbraw/zinc/08/36/88/1078083688.db2.gz WRZMTFIDHAHURL-KRWDZBQOSA-N 1 1 415.490 2.691 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCN(C)C(=O)OCc2ccccc2)cn1 ZINC000793133459 1078087134 /nfs/dbraw/zinc/08/71/34/1078087134.db2.gz MBNGCTDPIKZZML-UHFFFAOYSA-N 1 1 407.474 2.851 20 0 HFADMO Cn1c2nn(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c(=S)n2c2ccccc2c1=O ZINC000772828308 1078090597 /nfs/dbraw/zinc/09/05/97/1078090597.db2.gz MEYKZEVOMWFQPI-QAPCUYQASA-N 1 1 424.574 2.623 20 0 HFADMO O=C1C(=O)N(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C(=O)N1CCC1=CCCCC1 ZINC000772828641 1078093991 /nfs/dbraw/zinc/09/39/91/1078093991.db2.gz NZWIDKPKCTVIGN-ICSRJNTNSA-N 1 1 414.550 2.574 20 0 HFADMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)CCN(C)C(=O)OCc2ccccc2)C[C@H](C)O1 ZINC000793183484 1078096011 /nfs/dbraw/zinc/09/60/11/1078096011.db2.gz DVIMNHFJYCLCCI-ZVDOUQERSA-N 1 1 417.550 2.745 20 0 HFADMO CC(C)Cc1ccccc1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000790661105 1078096075 /nfs/dbraw/zinc/09/60/75/1078096075.db2.gz JFNRIKQNHWYNBI-UHFFFAOYSA-N 1 1 415.578 2.576 20 0 HFADMO C[N@@H+](CCNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)C1CCCCC1 ZINC000793213714 1078099259 /nfs/dbraw/zinc/09/92/59/1078099259.db2.gz DWEXJZPYJUNCTG-SFTDATJTSA-N 1 1 424.545 2.959 20 0 HFADMO Cc1c(Cl)cccc1N1CCCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000790707700 1078102640 /nfs/dbraw/zinc/10/26/40/1078102640.db2.gz CILNEJSWPYMWBZ-ROUUACIJSA-N 1 1 406.958 2.733 20 0 HFADMO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1nnnn1C1CC1 ZINC000790718076 1078107193 /nfs/dbraw/zinc/10/71/93/1078107193.db2.gz MXHAIPOGGQATOJ-XKGZKEIXSA-N 1 1 409.538 2.765 20 0 HFADMO CSC[C@@H](COC(=O)c1ccc2c[nH+]cn2c1)OC(=O)c1ccc2cncn2c1 ZINC000793303543 1078122969 /nfs/dbraw/zinc/12/29/69/1078122969.db2.gz ITIOFOHKOSGSET-GOSISDBHSA-N 1 1 410.455 2.727 20 0 HFADMO CSC[C@@H](COC(=O)c1ccc2cncn2c1)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000793303543 1078122975 /nfs/dbraw/zinc/12/29/75/1078122975.db2.gz ITIOFOHKOSGSET-GOSISDBHSA-N 1 1 410.455 2.727 20 0 HFADMO CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1nc(N3CCOCC3)cc[nH+]1)CC2 ZINC000790793449 1078135997 /nfs/dbraw/zinc/13/59/97/1078135997.db2.gz BJDSDPRNPIEDIV-UHFFFAOYSA-N 1 1 417.554 2.931 20 0 HFADMO COc1ccc([C@@H]2C[C@H]2NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000793379151 1078154139 /nfs/dbraw/zinc/15/41/39/1078154139.db2.gz FENFOPPLQDXCHF-KZKAQZJJSA-N 1 1 409.530 2.733 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000793434277 1078171789 /nfs/dbraw/zinc/17/17/89/1078171789.db2.gz IURIUZSAHWZDEZ-MRXNPFEDSA-N 1 1 416.526 2.552 20 0 HFADMO COc1ccc([C@@H]2[C@@H](COC(=O)C3CCN(c4cnccn4)CC3)CC[N@H+]2C)cc1 ZINC000747120829 1078174166 /nfs/dbraw/zinc/17/41/66/1078174166.db2.gz OFQCYOKCJBWTMG-DENIHFKCSA-N 1 1 410.518 2.938 20 0 HFADMO C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000793484063 1078189266 /nfs/dbraw/zinc/18/92/66/1078189266.db2.gz QHKOSQKHMUMUMO-BJLQDIEVSA-N 1 1 422.614 2.649 20 0 HFADMO C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000793484063 1078189269 /nfs/dbraw/zinc/18/92/69/1078189269.db2.gz QHKOSQKHMUMUMO-BJLQDIEVSA-N 1 1 422.614 2.649 20 0 HFADMO Cc1nc(SC(F)F)sc1CC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000793483422 1078189714 /nfs/dbraw/zinc/18/97/14/1078189714.db2.gz MQFZBFYBQQDOFA-AWEZNQCLSA-N 1 1 418.579 2.936 20 0 HFADMO Cc1nc(SC(F)F)sc1CC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000793483422 1078189716 /nfs/dbraw/zinc/18/97/16/1078189716.db2.gz MQFZBFYBQQDOFA-AWEZNQCLSA-N 1 1 418.579 2.936 20 0 HFADMO C[N@@H+]1CCN(C(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)C[C@@H]1Cc1ccccc1 ZINC000793506839 1078193568 /nfs/dbraw/zinc/19/35/68/1078193568.db2.gz VTAOXHREBPMJFR-IRXDYDNUSA-N 1 1 411.493 2.920 20 0 HFADMO C[N@H+]1CCN(C(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)C[C@@H]1Cc1ccccc1 ZINC000793506839 1078193571 /nfs/dbraw/zinc/19/35/71/1078193571.db2.gz VTAOXHREBPMJFR-IRXDYDNUSA-N 1 1 411.493 2.920 20 0 HFADMO C[N@@H+]1CCN(C(=O)CCC(=O)N2CCOc3ccccc32)C[C@@H]1Cc1ccccc1 ZINC000793508407 1078194189 /nfs/dbraw/zinc/19/41/89/1078194189.db2.gz TYWYTOXSZVXNDG-FQEVSTJZSA-N 1 1 407.514 2.578 20 0 HFADMO C[N@H+]1CCN(C(=O)CCC(=O)N2CCOc3ccccc32)C[C@@H]1Cc1ccccc1 ZINC000793508407 1078194192 /nfs/dbraw/zinc/19/41/92/1078194192.db2.gz TYWYTOXSZVXNDG-FQEVSTJZSA-N 1 1 407.514 2.578 20 0 HFADMO Cc1nc(SC(F)F)sc1CC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000793513899 1078196154 /nfs/dbraw/zinc/19/61/54/1078196154.db2.gz UQYAZAIVAACKOX-ZDUSSCGKSA-N 1 1 404.552 2.547 20 0 HFADMO Cc1ccc(CC2CC[NH+](CN3C(=O)C[C@@H](Cc4cnn(C)c4)C3=O)CC2)cc1C ZINC000793521711 1078198205 /nfs/dbraw/zinc/19/82/05/1078198205.db2.gz NWCNHQKOFAMYJC-JOCHJYFZSA-N 1 1 408.546 2.867 20 0 HFADMO Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000793493609 1078201568 /nfs/dbraw/zinc/20/15/68/1078201568.db2.gz ONFVDDMWZWPZOL-MRXNPFEDSA-N 1 1 404.555 2.955 20 0 HFADMO COC(=O)CC[C@@]1(C)NC(=O)N(C[NH+]2CCC(c3ccc(F)cc3C)CC2)C1=O ZINC000793544967 1078207605 /nfs/dbraw/zinc/20/76/05/1078207605.db2.gz LJZQHOJGBILXBG-OAQYLSRUSA-N 1 1 405.470 2.535 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000793552797 1078209092 /nfs/dbraw/zinc/20/90/92/1078209092.db2.gz KEZSJJUFYFDBJM-BBRMVZONSA-N 1 1 416.526 2.598 20 0 HFADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793577767 1078213445 /nfs/dbraw/zinc/21/34/45/1078213445.db2.gz SYNKLRPZFWNBSW-PCCBWWKXSA-N 1 1 424.545 2.911 20 0 HFADMO C[N@@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001170435074 1078217082 /nfs/dbraw/zinc/21/70/82/1078217082.db2.gz NJHGZCFNWWVYEQ-OAHLLOKOSA-N 1 1 401.548 2.641 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CN2C(=O)N[C@@]3(C[C@H](C)C[C@H](C)C3)C2=O)C1 ZINC000793591323 1078217357 /nfs/dbraw/zinc/21/73/57/1078217357.db2.gz ACUKCGHPULYAOF-OIDISNMWSA-N 1 1 413.518 2.507 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CN2C(=O)N[C@@]3(C[C@H](C)C[C@H](C)C3)C2=O)C1 ZINC000793591323 1078217360 /nfs/dbraw/zinc/21/73/60/1078217360.db2.gz ACUKCGHPULYAOF-OIDISNMWSA-N 1 1 413.518 2.507 20 0 HFADMO C[N@@H+]1CCN(Cc2cc(Cl)c3c(c2)OCCO3)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793603122 1078221345 /nfs/dbraw/zinc/22/13/45/1078221345.db2.gz DCWYWDPHJVKMCP-OAHLLOKOSA-N 1 1 411.930 2.752 20 0 HFADMO C[N@H+]1CCN(Cc2cc(Cl)c3c(c2)OCCO3)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793603122 1078221346 /nfs/dbraw/zinc/22/13/46/1078221346.db2.gz DCWYWDPHJVKMCP-OAHLLOKOSA-N 1 1 411.930 2.752 20 0 HFADMO C[N@@H+]1CCN(Cc2cc(O)ccc2Br)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793602906 1078221475 /nfs/dbraw/zinc/22/14/75/1078221475.db2.gz AAUIOHPHPIWGHY-AWEZNQCLSA-N 1 1 414.344 2.795 20 0 HFADMO C[N@H+]1CCN(Cc2cc(O)ccc2Br)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793602906 1078221479 /nfs/dbraw/zinc/22/14/79/1078221479.db2.gz AAUIOHPHPIWGHY-AWEZNQCLSA-N 1 1 414.344 2.795 20 0 HFADMO C[N@@H+]1CCN(Cc2cc(O)ccc2Br)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793602911 1078221550 /nfs/dbraw/zinc/22/15/50/1078221550.db2.gz AAUIOHPHPIWGHY-CQSZACIVSA-N 1 1 414.344 2.795 20 0 HFADMO C[N@H+]1CCN(Cc2cc(O)ccc2Br)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793602911 1078221555 /nfs/dbraw/zinc/22/15/55/1078221555.db2.gz AAUIOHPHPIWGHY-CQSZACIVSA-N 1 1 414.344 2.795 20 0 HFADMO COC(=O)c1ccc(Cl)c(CN2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000793606136 1078222848 /nfs/dbraw/zinc/22/28/48/1078222848.db2.gz YVBHVIUFFJTWJL-INIZCTEOSA-N 1 1 411.930 2.767 20 0 HFADMO COC(=O)c1ccc(Cl)c(CN2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000793606136 1078222853 /nfs/dbraw/zinc/22/28/53/1078222853.db2.gz YVBHVIUFFJTWJL-INIZCTEOSA-N 1 1 411.930 2.767 20 0 HFADMO COC(=O)c1ccccc1CC1CC[NH+](CN2C(=O)C[C@]3(CCSC3)C2=O)CC1 ZINC000793607927 1078223982 /nfs/dbraw/zinc/22/39/82/1078223982.db2.gz SUOMEWIFDOXASC-QFIPXVFZSA-N 1 1 416.543 2.567 20 0 HFADMO COC(=O)[C@]1(NC(=O)c2ccc3nc(C)n(C)c3c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000793634903 1078235668 /nfs/dbraw/zinc/23/56/68/1078235668.db2.gz LOFWCLIPLQMNTB-DEOSSOPVSA-N 1 1 420.513 2.819 20 0 HFADMO COCC1(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793676102 1078250370 /nfs/dbraw/zinc/25/03/70/1078250370.db2.gz AVZPXXSDLDFPLL-QZTJIDSGSA-N 1 1 409.571 2.593 20 0 HFADMO CC1(C)CC(=O)N(C[NH+]2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)C1=O ZINC000793670473 1078247460 /nfs/dbraw/zinc/24/74/60/1078247460.db2.gz XUHPDUJDUPMJFK-OALUTQOASA-N 1 1 413.518 2.756 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C(=O)C4(CCC4)[C@@H]3[C@H]3CCCO3)CC[C@@H]21 ZINC000793711727 1078260584 /nfs/dbraw/zinc/26/05/84/1078260584.db2.gz XKNQDHSXCUBKLW-HCXYKTFWSA-N 1 1 419.566 2.835 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C(=O)C4(CCC4)[C@@H]3[C@H]3CCCO3)CC[C@@H]21 ZINC000793711727 1078260587 /nfs/dbraw/zinc/26/05/87/1078260587.db2.gz XKNQDHSXCUBKLW-HCXYKTFWSA-N 1 1 419.566 2.835 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000793719847 1078265052 /nfs/dbraw/zinc/26/50/52/1078265052.db2.gz DKKBTRAXSXMMFJ-CZUORRHYSA-N 1 1 416.526 2.598 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC001170436553 1078267938 /nfs/dbraw/zinc/26/79/38/1078267938.db2.gz IYYMJMFFHOSEDS-PMACEKPBSA-N 1 1 412.530 2.863 20 0 HFADMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CC1 ZINC000793695154 1078270918 /nfs/dbraw/zinc/27/09/18/1078270918.db2.gz YMHQZCYSULPQNS-IBGZPJMESA-N 1 1 417.550 2.903 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC001170436651 1078278103 /nfs/dbraw/zinc/27/81/03/1078278103.db2.gz JMAFXYWUVDVRNP-JTSKRJEESA-N 1 1 401.507 2.824 20 0 HFADMO CC[N@H+]1C[C@H](C)N(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C[C@H]1C ZINC000793754918 1078278691 /nfs/dbraw/zinc/27/86/91/1078278691.db2.gz JAMKSICUBPVOKE-GJJHYRHESA-N 1 1 410.518 2.519 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000793808641 1078302057 /nfs/dbraw/zinc/30/20/57/1078302057.db2.gz WASPESGDMBGGEX-OXJNMPFZSA-N 1 1 403.486 2.597 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000793804858 1078304688 /nfs/dbraw/zinc/30/46/88/1078304688.db2.gz ZXHKOBYGNWPXTD-UTKZUKDTSA-N 1 1 417.513 2.844 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000793777838 1078309113 /nfs/dbraw/zinc/30/91/13/1078309113.db2.gz HEDORUXGBAUMRG-IRFCIJBXSA-N 1 1 409.530 2.830 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NCC(C)(C)c1cccc(C)c1 ZINC000793811007 1078314620 /nfs/dbraw/zinc/31/46/20/1078314620.db2.gz WRCHVCXOWLRFEQ-UHFFFAOYSA-N 1 1 405.502 2.594 20 0 HFADMO C[C@@H](CNC(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1)[N@@H+](C)C1CC1 ZINC000793870625 1078328829 /nfs/dbraw/zinc/32/88/29/1078328829.db2.gz BLQDOIDDERUSOL-KRWDZBQOSA-N 1 1 414.594 2.668 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)NC2CCC2)C1 ZINC001170438523 1078322555 /nfs/dbraw/zinc/32/25/55/1078322555.db2.gz SWWHIRGAUCMFLM-MDPIYQRISA-N 1 1 400.519 2.742 20 0 HFADMO COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@H](C)c3ccc(C)s3)CC2)cc1 ZINC000793855507 1078324486 /nfs/dbraw/zinc/32/44/86/1078324486.db2.gz YENJAQWYEBVEHC-QGZVFWFLSA-N 1 1 415.559 2.977 20 0 HFADMO COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N[C@H](C)c3ccc(C)s3)CC2)cc1 ZINC000793855507 1078324491 /nfs/dbraw/zinc/32/44/91/1078324491.db2.gz YENJAQWYEBVEHC-QGZVFWFLSA-N 1 1 415.559 2.977 20 0 HFADMO COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(C)s2)CC1 ZINC000793868543 1078328194 /nfs/dbraw/zinc/32/81/94/1078328194.db2.gz SLNBXJGQSWNSMU-KRWDZBQOSA-N 1 1 409.596 2.831 20 0 HFADMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000793873865 1078330702 /nfs/dbraw/zinc/33/07/02/1078330702.db2.gz IUXZQMPGYQCIRG-JKSUJKDBSA-N 1 1 403.523 2.511 20 0 HFADMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000793873865 1078330706 /nfs/dbraw/zinc/33/07/06/1078330706.db2.gz IUXZQMPGYQCIRG-JKSUJKDBSA-N 1 1 403.523 2.511 20 0 HFADMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000793873864 1078330794 /nfs/dbraw/zinc/33/07/94/1078330794.db2.gz IUXZQMPGYQCIRG-HZPDHXFCSA-N 1 1 403.523 2.511 20 0 HFADMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000793873864 1078330798 /nfs/dbraw/zinc/33/07/98/1078330798.db2.gz IUXZQMPGYQCIRG-HZPDHXFCSA-N 1 1 403.523 2.511 20 0 HFADMO CCCCCCn1nc(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c2ccccc2c1=O ZINC000793876552 1078331741 /nfs/dbraw/zinc/33/17/41/1078331741.db2.gz XPGOYZPVKRCFFW-ZWKOTPCHSA-N 1 1 414.550 2.504 20 0 HFADMO CCCCCCn1nc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c2ccccc2c1=O ZINC000793876552 1078331746 /nfs/dbraw/zinc/33/17/46/1078331746.db2.gz XPGOYZPVKRCFFW-ZWKOTPCHSA-N 1 1 414.550 2.504 20 0 HFADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000793901911 1078333114 /nfs/dbraw/zinc/33/31/14/1078333114.db2.gz OXTUSEIYXXBCRA-MOPGFXCFSA-N 1 1 414.594 2.695 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000793902266 1078333124 /nfs/dbraw/zinc/33/31/24/1078333124.db2.gz KCWMSKWARNZZLX-HZPDHXFCSA-N 1 1 416.526 2.788 20 0 HFADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)C1 ZINC000793915541 1078337095 /nfs/dbraw/zinc/33/70/95/1078337095.db2.gz YMQUOVRPMUXKMY-WIYYLYMNSA-N 1 1 415.578 2.897 20 0 HFADMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000793915614 1078337103 /nfs/dbraw/zinc/33/71/03/1078337103.db2.gz ZQZSWBXDASEYQI-LMVRJCEZSA-N 1 1 415.578 2.753 20 0 HFADMO Cn1cc[nH+]c1N1CCC(NC(=O)[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000793947938 1078344237 /nfs/dbraw/zinc/34/42/37/1078344237.db2.gz ZNHUCAJUETYWIK-QGZVFWFLSA-N 1 1 417.554 2.542 20 0 HFADMO C[C@H]1C[N@@H+](CCCNC(=O)[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)CCCO1 ZINC000793965873 1078348926 /nfs/dbraw/zinc/34/89/26/1078348926.db2.gz ISKIAEZLQGDNTN-WMZHIEFXSA-N 1 1 417.550 2.652 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1Cc2ccnn2C[C@H](C(=O)N2CCCC2)C1 ZINC001170440482 1078350138 /nfs/dbraw/zinc/35/01/38/1078350138.db2.gz CSEWYDQQLHUEGA-RTBURBONSA-N 1 1 410.518 2.687 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1Cc2ccnn2C[C@H](C(=O)N2CCCC2)C1 ZINC001170440482 1078350142 /nfs/dbraw/zinc/35/01/42/1078350142.db2.gz CSEWYDQQLHUEGA-RTBURBONSA-N 1 1 410.518 2.687 20 0 HFADMO CC1(C)CCC[N@@H+](CCNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000793973832 1078350356 /nfs/dbraw/zinc/35/03/56/1078350356.db2.gz XQGZLXHXWBEBTE-BGYRXZFFSA-N 1 1 424.545 2.817 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCCn2c(CNC(=O)C(C)C)nnc2C1 ZINC001170440969 1078355236 /nfs/dbraw/zinc/35/52/36/1078355236.db2.gz GDEANASPFPZTKS-QGZVFWFLSA-N 1 1 413.522 2.506 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCCn2c(CNC(=O)C(C)C)nnc2C1 ZINC001170440969 1078355239 /nfs/dbraw/zinc/35/52/39/1078355239.db2.gz GDEANASPFPZTKS-QGZVFWFLSA-N 1 1 413.522 2.506 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCOC[C@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC001170441708 1078356688 /nfs/dbraw/zinc/35/66/88/1078356688.db2.gz JTHDDWKLXRANKV-VIZSFHNOSA-N 1 1 413.518 2.883 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCn2nnc(COCc3cccnc3)c2C1 ZINC001170441416 1078360753 /nfs/dbraw/zinc/36/07/53/1078360753.db2.gz HJZJPUSFXFBPBC-LJQANCHMSA-N 1 1 421.501 2.956 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCn2nnc(COCc3cccnc3)c2C1 ZINC001170441416 1078360756 /nfs/dbraw/zinc/36/07/56/1078360756.db2.gz HJZJPUSFXFBPBC-LJQANCHMSA-N 1 1 421.501 2.956 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCC[C@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001170443289 1078375731 /nfs/dbraw/zinc/37/57/31/1078375731.db2.gz OYXNCFZIGSCMTR-JPYJTQIMSA-N 1 1 410.518 2.989 20 0 HFADMO O=C(Nc1ccc(F)c(N2CCOC2=O)c1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000794096297 1078371745 /nfs/dbraw/zinc/37/17/45/1078371745.db2.gz VJBFPMKVDHVNBX-FQEVSTJZSA-N 1 1 413.449 2.919 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H](NC(=O)C2CC2)[C@H]2OCCC[C@H]2C1 ZINC001170443421 1078377669 /nfs/dbraw/zinc/37/76/69/1078377669.db2.gz OSUWANXEVVETOO-JYLXEMOASA-N 1 1 400.519 2.742 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001170443963 1078392058 /nfs/dbraw/zinc/39/20/58/1078392058.db2.gz SATLEKJWJASPPC-XXBNENTESA-N 1 1 410.518 2.898 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H]2COC[C@]2(CNC(=O)CC(C)C)C1 ZINC001170444961 1078397978 /nfs/dbraw/zinc/39/79/78/1078397978.db2.gz UVUUMQYZZPJLIB-MSYCTHLASA-N 1 1 402.535 2.847 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000794381984 1078432041 /nfs/dbraw/zinc/43/20/41/1078432041.db2.gz FYYUIGWEHUXESQ-OAHLLOKOSA-N 1 1 401.548 2.593 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000794381984 1078432044 /nfs/dbraw/zinc/43/20/44/1078432044.db2.gz FYYUIGWEHUXESQ-OAHLLOKOSA-N 1 1 401.548 2.593 20 0 HFADMO Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1 ZINC000804429721 1078475004 /nfs/dbraw/zinc/47/50/04/1078475004.db2.gz NQJZXBRTKZLYLG-CVDCTZTESA-N 1 1 423.557 2.656 20 0 HFADMO COc1ccc(CCC(=O)N(C)C(C)(C)C[NH+]2CCOCC2)cc1Br ZINC001129773644 1078484246 /nfs/dbraw/zinc/48/42/46/1078484246.db2.gz QYTQTRNOMXUBGZ-UHFFFAOYSA-N 1 1 413.356 2.960 20 0 HFADMO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC001170451657 1078496552 /nfs/dbraw/zinc/49/65/52/1078496552.db2.gz MHZNQWBZHZLKTQ-LZLYRXPVSA-N 1 1 405.539 2.560 20 0 HFADMO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC001170451657 1078496557 /nfs/dbraw/zinc/49/65/57/1078496557.db2.gz MHZNQWBZHZLKTQ-LZLYRXPVSA-N 1 1 405.539 2.560 20 0 HFADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2sc3cccc(F)c3c2COC)CC1 ZINC000804667976 1078499427 /nfs/dbraw/zinc/49/94/27/1078499427.db2.gz LKCIPJTWLLGFJS-CYBMUJFWSA-N 1 1 408.495 2.896 20 0 HFADMO Cc1ccccc1OCCCNC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000804444326 1078509325 /nfs/dbraw/zinc/50/93/25/1078509325.db2.gz ZGHYTGPOYZIZRB-VWLOTQADSA-N 1 1 423.557 2.909 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccnc(NC(=O)C(C)C)c1 ZINC001129811967 1078510040 /nfs/dbraw/zinc/51/00/40/1078510040.db2.gz CDALSBVKGKAABH-NHCUHLMSSA-N 1 1 424.545 2.943 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc2c(c1)CCN2C(C)=O ZINC001129813341 1078511477 /nfs/dbraw/zinc/51/14/77/1078511477.db2.gz MYCOWRNBUPCZAB-ISKFKSNPSA-N 1 1 421.541 2.863 20 0 HFADMO O=Cc1cccc(OCCC(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000804446469 1078513652 /nfs/dbraw/zinc/51/36/52/1078513652.db2.gz HRBSYPLYAXVSRT-HSZRJFAPSA-N 1 1 421.541 2.687 20 0 HFADMO Cc1[nH]c(=S)sc1CC(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804446953 1078514169 /nfs/dbraw/zinc/51/41/69/1078514169.db2.gz SHIKPBCNAARZMD-GOSISDBHSA-N 1 1 416.616 2.701 20 0 HFADMO Cc1c(C(=O)N[C@H](C)[C@@H](O)c2ccc(C)cc2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000804475790 1078518986 /nfs/dbraw/zinc/51/89/86/1078518986.db2.gz HUPCYIOJUIAXOY-WAIKUNEKSA-N 1 1 419.529 2.724 20 0 HFADMO O=C(NCC1([NH+]2CCOCC2)CCOCC1)[C@H](Oc1ccccc1)c1ccccc1 ZINC001129554908 1078544940 /nfs/dbraw/zinc/54/49/40/1078544940.db2.gz CXVKDDSUNSBOLR-JOCHJYFZSA-N 1 1 410.514 2.804 20 0 HFADMO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000804524020 1078563473 /nfs/dbraw/zinc/56/34/73/1078563473.db2.gz HJRCYPAADCRIRB-ZACQAIPSSA-N 1 1 417.554 2.833 20 0 HFADMO O=C(Cc1csc(-c2nc[nH]n2)n1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804534339 1078570957 /nfs/dbraw/zinc/57/09/57/1078570957.db2.gz OOGBGZPENUSTIC-NRFANRHFSA-N 1 1 408.531 2.595 20 0 HFADMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000804730152 1078588719 /nfs/dbraw/zinc/58/87/19/1078588719.db2.gz YGGXBBGJEASFPV-AEFFLSMTSA-N 1 1 409.452 2.622 20 0 HFADMO COc1ccc([C@H](CC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)NC(C)=O)cc1 ZINC001129933597 1078598977 /nfs/dbraw/zinc/59/89/77/1078598977.db2.gz XAGKJUWWKICLHC-NHTMILBNSA-N 1 1 421.541 2.995 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1C[C@H]1C ZINC000804777116 1078603031 /nfs/dbraw/zinc/60/30/31/1078603031.db2.gz QOMBPWLUKDSZCQ-PMPSAXMXSA-N 1 1 403.523 2.903 20 0 HFADMO COCC(C)(C)[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2Br)CC1 ZINC001129926101 1078618390 /nfs/dbraw/zinc/61/83/90/1078618390.db2.gz NYVRXLJCQSTNFK-ZDUSSCGKSA-N 1 1 417.319 2.925 20 0 HFADMO O=C(COC(c1ccccc1)c1ccccc1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001129669221 1078628465 /nfs/dbraw/zinc/62/84/65/1078628465.db2.gz HRANMPSWFUKAAW-UHFFFAOYSA-N 1 1 424.541 2.790 20 0 HFADMO Cc1nc(C(C)C)[nH]c(=O)c1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000747215868 1078641736 /nfs/dbraw/zinc/64/17/36/1078641736.db2.gz IFBYPBJNWZENJP-MRXNPFEDSA-N 1 1 411.506 2.564 20 0 HFADMO COC[C@]1(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CCCN1C(=O)OC(C)(C)C ZINC000804788814 1078644923 /nfs/dbraw/zinc/64/49/23/1078644923.db2.gz VGAUDZQYCMJWRB-XMSQKQJNSA-N 1 1 405.539 2.822 20 0 HFADMO CC(C)NS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001129701930 1078660632 /nfs/dbraw/zinc/66/06/32/1078660632.db2.gz FEFZIPDDIZTRBT-SFHVURJKSA-N 1 1 415.559 2.720 20 0 HFADMO CC(C)NS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001129701930 1078660639 /nfs/dbraw/zinc/66/06/39/1078660639.db2.gz FEFZIPDDIZTRBT-SFHVURJKSA-N 1 1 415.559 2.720 20 0 HFADMO Cc1nc2c(cnn2-c2ccccc2)c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)n1 ZINC000804819592 1078660722 /nfs/dbraw/zinc/66/07/22/1078660722.db2.gz AFZBFXQAAZFSIE-JLYLLQBASA-N 1 1 419.533 2.619 20 0 HFADMO C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001129704660 1078663103 /nfs/dbraw/zinc/66/31/03/1078663103.db2.gz XYFONLCEGAOACC-NVXWUHKLSA-N 1 1 413.440 2.883 20 0 HFADMO C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001129704660 1078663106 /nfs/dbraw/zinc/66/31/06/1078663106.db2.gz XYFONLCEGAOACC-NVXWUHKLSA-N 1 1 413.440 2.883 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cnc(-c2ccccn2)nc1 ZINC001129970725 1078664017 /nfs/dbraw/zinc/66/40/17/1078664017.db2.gz CGIWICNAJZAXCN-IFMALSPDSA-N 1 1 417.513 2.806 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cccc(C(=O)N(C)C)c1 ZINC001129970781 1078664084 /nfs/dbraw/zinc/66/40/84/1078664084.db2.gz DXJGONAXPQCLNE-FGZHOGPDSA-N 1 1 409.530 2.655 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000804828726 1078667668 /nfs/dbraw/zinc/66/76/68/1078667668.db2.gz XTLXIVAWVORZLQ-PMACEKPBSA-N 1 1 414.594 2.872 20 0 HFADMO Cc1noc(C)c1COc1ccc(CC(=O)NC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001129728407 1078678070 /nfs/dbraw/zinc/67/80/70/1078678070.db2.gz RQSUMWCLBXJRCO-UHFFFAOYSA-N 1 1 401.507 2.640 20 0 HFADMO C[C@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccc(Cl)nc2)CC[N@H+]1Cc1ccccc1 ZINC000804643012 1078695946 /nfs/dbraw/zinc/69/59/46/1078695946.db2.gz CEVSZZWYQVDYDC-QFBILLFUSA-N 1 1 414.937 2.863 20 0 HFADMO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)no1 ZINC000804644160 1078698334 /nfs/dbraw/zinc/69/83/34/1078698334.db2.gz YGYVLXWEXUXJKJ-BSIFCXSSSA-N 1 1 410.518 2.816 20 0 HFADMO CCN(CCc1ccccn1)C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000804643990 1078698723 /nfs/dbraw/zinc/69/87/23/1078698723.db2.gz VLEYENLHMBLXPH-SIKLNZKXSA-N 1 1 408.546 2.642 20 0 HFADMO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](c3ccccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC000804643972 1078698895 /nfs/dbraw/zinc/69/88/95/1078698895.db2.gz UXBJSVBQMAWZDD-HMXCVIKNSA-N 1 1 406.530 2.567 20 0 HFADMO Cc1c[nH+]cn1CC(=O)N(CCCn1ccnc1)c1ccc(Br)cn1 ZINC001130013491 1078764364 /nfs/dbraw/zinc/76/43/64/1078764364.db2.gz OLNPUVMEQULLLK-UHFFFAOYSA-N 1 1 403.284 2.669 20 0 HFADMO C[C@@H](Cc1ccccc1Cl)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000804970472 1078806027 /nfs/dbraw/zinc/80/60/27/1078806027.db2.gz MXVVNHPVZUXLEV-MIGBEJBISA-N 1 1 406.958 2.654 20 0 HFADMO O=C(NCCn1cc(Br)cn1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000805013766 1078823923 /nfs/dbraw/zinc/82/39/23/1078823923.db2.gz GAYJEYINJSHNSI-KRWDZBQOSA-N 1 1 420.355 2.857 20 0 HFADMO Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)c2cnn(-c3ccccc3)c2)CC1 ZINC000805119922 1078902741 /nfs/dbraw/zinc/90/27/41/1078902741.db2.gz KYBDNBLHZKNPGU-UHFFFAOYSA-N 1 1 418.497 2.682 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(C(=O)N[C@@H]1CC[N@@H+](CC3CC3)C1)C2 ZINC000805136784 1078933688 /nfs/dbraw/zinc/93/36/88/1078933688.db2.gz JCOCNIDXRVUJIA-GCJKJVERSA-N 1 1 406.571 2.903 20 0 HFADMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cnn(-c2ccccc2)c1I ZINC001130098136 1078948490 /nfs/dbraw/zinc/94/84/90/1078948490.db2.gz LCMOSVPGFLKXSK-AWEZNQCLSA-N 1 1 424.286 2.643 20 0 HFADMO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000747231762 1078950615 /nfs/dbraw/zinc/95/06/15/1078950615.db2.gz NNZJWXIYTMIOKQ-UBHSHLNASA-N 1 1 417.731 2.849 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(C(=O)NC[C@H]1CC[N@H+](C3CC3)C1)C2 ZINC000805182234 1078965720 /nfs/dbraw/zinc/96/57/20/1078965720.db2.gz WBLGAAWSPXEDLW-VGSWGCGISA-N 1 1 406.571 2.903 20 0 HFADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000805184550 1078966114 /nfs/dbraw/zinc/96/61/14/1078966114.db2.gz RSINXHSWYZSASD-YXMSTPNBSA-N 1 1 406.493 2.594 20 0 HFADMO CC(C)(O)c1ccc(CNC(=O)C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000805197333 1078971322 /nfs/dbraw/zinc/97/13/22/1078971322.db2.gz CISHWHARGGJYCJ-RUZDIDTESA-N 1 1 423.557 2.701 20 0 HFADMO O=C(c1cccn(CC(F)(F)F)c1=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001130124979 1078975516 /nfs/dbraw/zinc/97/55/16/1078975516.db2.gz RFRDAMMBJFJNGL-AEFFLSMTSA-N 1 1 405.420 2.757 20 0 HFADMO CCOC(=O)N1CC[C@@H](NC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000805301329 1078995931 /nfs/dbraw/zinc/99/59/31/1078995931.db2.gz LDHZHBYLDYMFAU-DENIHFKCSA-N 1 1 400.523 2.525 20 0 HFADMO O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000805209349 1078988135 /nfs/dbraw/zinc/98/81/35/1078988135.db2.gz NHNTUNBLKCLSCB-KSZLIROESA-N 1 1 415.456 2.681 20 0 HFADMO O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000805209347 1078988160 /nfs/dbraw/zinc/98/81/60/1078988160.db2.gz NHNTUNBLKCLSCB-BZSNNMDCSA-N 1 1 415.456 2.681 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000747236222 1078994699 /nfs/dbraw/zinc/99/46/99/1078994699.db2.gz BPLCXPIEWYSPSL-VEGGFIAOSA-N 1 1 404.488 2.581 20 0 HFADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000747235902 1079004593 /nfs/dbraw/zinc/00/45/93/1079004593.db2.gz JIFYDUTYCZJRSG-GJZGRUSLSA-N 1 1 412.387 2.623 20 0 HFADMO CC(C)C[C@@]1(C)CCC[N@H+]1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001170479618 1079017078 /nfs/dbraw/zinc/01/70/78/1079017078.db2.gz KHQLYUVNDLHIAX-OAQYLSRUSA-N 1 1 423.579 2.547 20 0 HFADMO CC(C)C[C@@]1(C)CCC[N@H+]1CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC001170479649 1079017148 /nfs/dbraw/zinc/01/71/48/1079017148.db2.gz KMLPMVFHDRLCCC-PKTZIBPZSA-N 1 1 414.550 2.862 20 0 HFADMO CC(C)C[C@]1(C)CCC[N@H+]1CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC001170479648 1079017184 /nfs/dbraw/zinc/01/71/84/1079017184.db2.gz KMLPMVFHDRLCCC-GOTSBHOMSA-N 1 1 414.550 2.862 20 0 HFADMO COC(=O)/C=C\c1ccc(S(=O)(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000747239775 1079052230 /nfs/dbraw/zinc/05/22/30/1079052230.db2.gz CSWQEAQVFQRBQO-KAMYIIQDSA-N 1 1 402.516 2.673 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)NCc2ccccc2C[N@@H+](C)C(C)C)ccc1F ZINC000747247014 1079123214 /nfs/dbraw/zinc/12/32/14/1079123214.db2.gz ZRSHXBKMZIKCRF-UHFFFAOYSA-N 1 1 408.495 2.931 20 0 HFADMO C[C@H](CNC(=O)c1cc(Br)c2nccnc2c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130260123 1079124371 /nfs/dbraw/zinc/12/43/71/1079124371.db2.gz TXLMCPAGEXGZTB-UPJWGTAASA-N 1 1 407.312 2.620 20 0 HFADMO C[C@H](CNC(=O)c1cc(Br)c2nccnc2c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130260123 1079124375 /nfs/dbraw/zinc/12/43/75/1079124375.db2.gz TXLMCPAGEXGZTB-UPJWGTAASA-N 1 1 407.312 2.620 20 0 HFADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@@H](C)c2nccn2-c2ccccc2)CC1=O ZINC000805542077 1079131019 /nfs/dbraw/zinc/13/10/19/1079131019.db2.gz DXPJADOJCBPKLU-CMKODMSKSA-N 1 1 410.518 2.809 20 0 HFADMO C[C@H](CNC(=O)CC(C)(C)NC(=O)OCc1ccccc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130260007 1079149541 /nfs/dbraw/zinc/14/95/41/1079149541.db2.gz RROHURIWKWZWPC-KURKYZTESA-N 1 1 405.539 2.695 20 0 HFADMO C[C@H](CNC(=O)CC(C)(C)NC(=O)OCc1ccccc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130260007 1079149544 /nfs/dbraw/zinc/14/95/44/1079149544.db2.gz RROHURIWKWZWPC-KURKYZTESA-N 1 1 405.539 2.695 20 0 HFADMO Cc1c(C(=O)NCCc2ncc(C)cc2C)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC001130264218 1079158263 /nfs/dbraw/zinc/15/82/63/1079158263.db2.gz POKLTTLAGAXERK-UHFFFAOYSA-N 1 1 404.518 2.548 20 0 HFADMO CC(C)(C(=O)OCC(=O)Nc1ccccc1I)[NH+]1CCCC1 ZINC000805609886 1079174179 /nfs/dbraw/zinc/17/41/79/1079174179.db2.gz ADAYSBGYHHMVSH-UHFFFAOYSA-N 1 1 416.259 2.647 20 0 HFADMO C[C@H]1CN(c2ccc(NC(=O)COC(=O)C(C)(C)[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000805612194 1079174539 /nfs/dbraw/zinc/17/45/39/1079174539.db2.gz JHKJLMCEOFSUPD-IRXDYDNUSA-N 1 1 403.523 2.656 20 0 HFADMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCc2ccn(-c3ccccc3)n2)C1 ZINC000805636715 1079190162 /nfs/dbraw/zinc/19/01/62/1079190162.db2.gz AEZUNRZWDHTDEM-SFHVURJKSA-N 1 1 411.550 2.505 20 0 HFADMO O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001130302051 1079194235 /nfs/dbraw/zinc/19/42/35/1079194235.db2.gz VVANAWNHQFODQA-LEWJYISDSA-N 1 1 419.591 2.537 20 0 HFADMO CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805758157 1079261148 /nfs/dbraw/zinc/26/11/48/1079261148.db2.gz JAXACHUEWSZQPL-SFHVURJKSA-N 1 1 411.587 2.983 20 0 HFADMO CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@@H+](C[C@@H](O)Cc3cccc(Cl)c3)C2)CC1 ZINC000805759542 1079261236 /nfs/dbraw/zinc/26/12/36/1079261236.db2.gz VEKDZMLUEIXAPN-PMACEKPBSA-N 1 1 423.985 2.870 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000805762723 1079262991 /nfs/dbraw/zinc/26/29/91/1079262991.db2.gz SQPJPHBUHYBKFB-CVEARBPZSA-N 1 1 411.493 2.955 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000805762723 1079262997 /nfs/dbraw/zinc/26/29/97/1079262997.db2.gz SQPJPHBUHYBKFB-CVEARBPZSA-N 1 1 411.493 2.955 20 0 HFADMO C[C@H](C[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H](C)CO)c1ccccc1 ZINC000805820193 1079292636 /nfs/dbraw/zinc/29/26/36/1079292636.db2.gz GZEQXWILAFBBHG-UXHICEINSA-N 1 1 411.546 2.948 20 0 HFADMO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC ZINC000805825598 1079294634 /nfs/dbraw/zinc/29/46/34/1079294634.db2.gz ZSCQWXNSKLZJMO-LPHOPBHVSA-N 1 1 419.522 2.578 20 0 HFADMO CNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC ZINC000805825598 1079294636 /nfs/dbraw/zinc/29/46/36/1079294636.db2.gz ZSCQWXNSKLZJMO-LPHOPBHVSA-N 1 1 419.522 2.578 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Oc3ccc(NS(C)(=O)=O)cc3)cc2)C[C@H](C)O1 ZINC000805860905 1079308564 /nfs/dbraw/zinc/30/85/64/1079308564.db2.gz LQNHUVCISACXJL-IYBDPMFKSA-N 1 1 418.515 2.887 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Oc3ccc(NS(C)(=O)=O)cc3)cc2)C[C@H](C)O1 ZINC000805860905 1079308572 /nfs/dbraw/zinc/30/85/72/1079308572.db2.gz LQNHUVCISACXJL-IYBDPMFKSA-N 1 1 418.515 2.887 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)ccc1F ZINC000747271812 1079315945 /nfs/dbraw/zinc/31/59/45/1079315945.db2.gz VBSPDPKHTXTUPC-MRXNPFEDSA-N 1 1 406.479 2.555 20 0 HFADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1 ZINC000805937966 1079342223 /nfs/dbraw/zinc/34/22/23/1079342223.db2.gz RKKFIJDJBSFEFB-CQSZACIVSA-N 1 1 405.495 2.967 20 0 HFADMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C1 ZINC000747281515 1079353133 /nfs/dbraw/zinc/35/31/33/1079353133.db2.gz KJFPHAJOJBWKNT-NSHDSACASA-N 1 1 409.335 2.742 20 0 HFADMO C[C@@H]1CN(C(=O)[C@]2(c3ccccc3)CNC(=O)C2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001130458886 1079382538 /nfs/dbraw/zinc/38/25/38/1079382538.db2.gz WTKQYZBBRJZIND-MIOZMULLSA-N 1 1 405.542 2.954 20 0 HFADMO Cn1ncc(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000806000897 1079396873 /nfs/dbraw/zinc/39/68/73/1079396873.db2.gz KUROCOYOFGZRRZ-PBHICJAKSA-N 1 1 410.444 2.716 20 0 HFADMO Cn1ncc(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000806000900 1079396907 /nfs/dbraw/zinc/39/69/07/1079396907.db2.gz KUROCOYOFGZRRZ-YOEHRIQHSA-N 1 1 410.444 2.716 20 0 HFADMO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)C1 ZINC001130527385 1079436462 /nfs/dbraw/zinc/43/64/62/1079436462.db2.gz DYSZWYZEGJHTBL-TXTKFYIRSA-N 1 1 403.542 2.701 20 0 HFADMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)C1 ZINC001130527385 1079436465 /nfs/dbraw/zinc/43/64/65/1079436465.db2.gz DYSZWYZEGJHTBL-TXTKFYIRSA-N 1 1 403.542 2.701 20 0 HFADMO CCOc1ccc(OCC(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001130529256 1079465275 /nfs/dbraw/zinc/46/52/75/1079465275.db2.gz UEJASVJNUPPUGT-DHIUTWEWSA-N 1 1 410.514 2.966 20 0 HFADMO C[C@H]([NH2+]Cc1nccc(C(F)F)n1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000806184060 1079477457 /nfs/dbraw/zinc/47/74/57/1079477457.db2.gz QICYZZGUOSEZRM-WMLDXEAASA-N 1 1 406.433 2.930 20 0 HFADMO C[C@@H]([NH2+]Cc1nccc(C(F)F)n1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000806184058 1079477461 /nfs/dbraw/zinc/47/74/61/1079477461.db2.gz QICYZZGUOSEZRM-PBHICJAKSA-N 1 1 406.433 2.930 20 0 HFADMO Cc1cccc2c1CC(C)(C)[N@@H+](CCC(=O)NN1C(=O)NC3(CCCCC3)C1=O)C2 ZINC001170501729 1079481397 /nfs/dbraw/zinc/48/13/97/1079481397.db2.gz TUTPQPFAIPPDTD-UHFFFAOYSA-N 1 1 412.534 2.808 20 0 HFADMO C[C@@H](NC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CC(N)=O)C1)c1ccccc1 ZINC000746676432 1076750455 /nfs/dbraw/zinc/75/04/55/1076750455.db2.gz VVDVLQVPEHTQBK-MSOLQXFVSA-N 1 1 422.529 2.704 20 0 HFADMO C[C@@H](NC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CC(N)=O)C1)c1ccccc1 ZINC000746676432 1076750458 /nfs/dbraw/zinc/75/04/58/1076750458.db2.gz VVDVLQVPEHTQBK-MSOLQXFVSA-N 1 1 422.529 2.704 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccccc1I ZINC000787304083 1076751142 /nfs/dbraw/zinc/75/11/42/1076751142.db2.gz PWSJFLMFNMOSLW-CQSZACIVSA-N 1 1 400.304 2.976 20 0 HFADMO CCOCCC[N@H+]1CC[C@H](NCc2ccc(S(=O)(=O)C(F)F)cc2)[C@@H](C)C1 ZINC000787303310 1076751954 /nfs/dbraw/zinc/75/19/54/1076751954.db2.gz KYDWMALSXHAFDZ-YJBOKZPZSA-N 1 1 404.523 2.910 20 0 HFADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCCCC(=O)OCc1ccccc1 ZINC000787313182 1076759326 /nfs/dbraw/zinc/75/93/26/1076759326.db2.gz WDVHHWMAEZKKIZ-IBGZPJMESA-N 1 1 417.550 2.795 20 0 HFADMO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)[C@@H]1C ZINC000787323088 1076764829 /nfs/dbraw/zinc/76/48/29/1076764829.db2.gz CLFKVOWTARYIFP-ZHALLVOQSA-N 1 1 423.513 3.000 20 0 HFADMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)[C@@H]1C ZINC000787323088 1076764838 /nfs/dbraw/zinc/76/48/38/1076764838.db2.gz CLFKVOWTARYIFP-ZHALLVOQSA-N 1 1 423.513 3.000 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787347026 1076788321 /nfs/dbraw/zinc/78/83/21/1076788321.db2.gz RYPRBDSIJFBROL-HZPDHXFCSA-N 1 1 405.543 2.738 20 0 HFADMO C[C@H](C(=O)Nc1sccc1C(N)=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000746677670 1076792048 /nfs/dbraw/zinc/79/20/48/1076792048.db2.gz SDGIANYKBAKLEH-HZPDHXFCSA-N 1 1 400.548 2.770 20 0 HFADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(F)(F)c3ncccc3C)C2)cc(OC)c1 ZINC000787427662 1076801982 /nfs/dbraw/zinc/80/19/82/1076801982.db2.gz VHRZUGIIYIQLES-INIZCTEOSA-N 1 1 405.445 2.890 20 0 HFADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)C(F)(F)c3ncccc3C)C2)cc(OC)c1 ZINC000787427662 1076801984 /nfs/dbraw/zinc/80/19/84/1076801984.db2.gz VHRZUGIIYIQLES-INIZCTEOSA-N 1 1 405.445 2.890 20 0 HFADMO C[C@@H]1C[C@H](N(C)C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC[N@H+]1C ZINC000787388319 1076805235 /nfs/dbraw/zinc/80/52/35/1076805235.db2.gz UKUHXUIFBXKFML-OWCLPIDISA-N 1 1 405.543 2.689 20 0 HFADMO C[C@@H]1C[C@H](N(C)C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC[N@@H+]1C ZINC000787388319 1076805244 /nfs/dbraw/zinc/80/52/44/1076805244.db2.gz UKUHXUIFBXKFML-OWCLPIDISA-N 1 1 405.543 2.689 20 0 HFADMO C[C@@H]1C[C@H](N(C)C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC[N@H+]1C ZINC000787388319 1076805252 /nfs/dbraw/zinc/80/52/52/1076805252.db2.gz UKUHXUIFBXKFML-OWCLPIDISA-N 1 1 405.543 2.689 20 0 HFADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787393287 1076806349 /nfs/dbraw/zinc/80/63/49/1076806349.db2.gz IDJQRZQVHQRHCJ-IAGOWNOFSA-N 1 1 419.570 2.938 20 0 HFADMO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787393287 1076806353 /nfs/dbraw/zinc/80/63/53/1076806353.db2.gz IDJQRZQVHQRHCJ-IAGOWNOFSA-N 1 1 419.570 2.938 20 0 HFADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787393287 1076806357 /nfs/dbraw/zinc/80/63/57/1076806357.db2.gz IDJQRZQVHQRHCJ-IAGOWNOFSA-N 1 1 419.570 2.938 20 0 HFADMO O=C(c1cnn(-c2cc[nH+]cc2)c1C(F)F)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000787443365 1076813349 /nfs/dbraw/zinc/81/33/49/1076813349.db2.gz YIHBIZHZVILFCQ-GDBMZVCRSA-N 1 1 418.400 2.763 20 0 HFADMO Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC1 ZINC000787453037 1076817017 /nfs/dbraw/zinc/81/70/17/1076817017.db2.gz FJSCQNMWGHIGCW-KRWDZBQOSA-N 1 1 416.432 2.524 20 0 HFADMO Cc1ccc(CN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)C(C)C)s1 ZINC000787488388 1076823176 /nfs/dbraw/zinc/82/31/76/1076823176.db2.gz WQVAUKJHVJQLLL-UHFFFAOYSA-N 1 1 411.531 2.999 20 0 HFADMO O=C(Cn1c(=O)c2ccccc2[nH]c1=S)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000746686650 1076824344 /nfs/dbraw/zinc/82/43/44/1076824344.db2.gz RPVAVZDZBVWFHM-UHFFFAOYSA-N 1 1 414.575 2.800 20 0 HFADMO O=C(Cn1c(=O)c2ccccc2[nH]c1=S)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000746686650 1076824353 /nfs/dbraw/zinc/82/43/53/1076824353.db2.gz RPVAVZDZBVWFHM-UHFFFAOYSA-N 1 1 414.575 2.800 20 0 HFADMO COc1ccc([C@@H](C)CCNC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000787491576 1076824600 /nfs/dbraw/zinc/82/46/00/1076824600.db2.gz UKYVLPBMMCFHDG-INIZCTEOSA-N 1 1 421.501 2.511 20 0 HFADMO C[N@H+]1CCCC12CCN(C(=O)c1cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n1)CC2 ZINC000787494574 1076825694 /nfs/dbraw/zinc/82/56/94/1076825694.db2.gz QNJQRBPCGRPEGH-MRXNPFEDSA-N 1 1 417.554 2.835 20 0 HFADMO C[N@@H+]1CCCC12CCN(C(=O)c1cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]1)CC2 ZINC000787494574 1076825713 /nfs/dbraw/zinc/82/57/13/1076825713.db2.gz QNJQRBPCGRPEGH-MRXNPFEDSA-N 1 1 417.554 2.835 20 0 HFADMO C[N@H+]1CCCC12CCN(C(=O)c1cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]1)CC2 ZINC000787494574 1076825717 /nfs/dbraw/zinc/82/57/17/1076825717.db2.gz QNJQRBPCGRPEGH-MRXNPFEDSA-N 1 1 417.554 2.835 20 0 HFADMO CCN(C(=O)c1cc(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H]2C)ccc1Cl)C(C)C ZINC000787507477 1076829820 /nfs/dbraw/zinc/82/98/20/1076829820.db2.gz DGIQXASKJYXKRD-HNNXBMFYSA-N 1 1 422.957 2.750 20 0 HFADMO C[C@@H](NC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)C1=CC[N@@H+](C)CC1 ZINC000787511915 1076830960 /nfs/dbraw/zinc/83/09/60/1076830960.db2.gz ZYEGEJGAGIOXBQ-GDBMZVCRSA-N 1 1 403.527 2.514 20 0 HFADMO CN(C(=O)[C@H]1CCCN1C1CC1)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000787480996 1076839409 /nfs/dbraw/zinc/83/94/09/1076839409.db2.gz PCDZGVDVPSWTPW-FGZHOGPDSA-N 1 1 410.562 2.519 20 0 HFADMO CN(C(=O)[C@H]1CCCN1C1CC1)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1 ZINC000787480996 1076839420 /nfs/dbraw/zinc/83/94/20/1076839420.db2.gz PCDZGVDVPSWTPW-FGZHOGPDSA-N 1 1 410.562 2.519 20 0 HFADMO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787483796 1076841908 /nfs/dbraw/zinc/84/19/08/1076841908.db2.gz TZKUUIKRKVCSQN-DOTOQJQBSA-N 1 1 419.570 2.936 20 0 HFADMO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000746692153 1076848745 /nfs/dbraw/zinc/84/87/45/1076848745.db2.gz PWLKRVRHBKCNIV-HNNXBMFYSA-N 1 1 402.564 2.702 20 0 HFADMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000746692153 1076848752 /nfs/dbraw/zinc/84/87/52/1076848752.db2.gz PWLKRVRHBKCNIV-HNNXBMFYSA-N 1 1 402.564 2.702 20 0 HFADMO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000746691628 1076853151 /nfs/dbraw/zinc/85/31/51/1076853151.db2.gz FWVMKYPAODSEHB-KRWDZBQOSA-N 1 1 422.554 2.808 20 0 HFADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000746691628 1076853155 /nfs/dbraw/zinc/85/31/55/1076853155.db2.gz FWVMKYPAODSEHB-KRWDZBQOSA-N 1 1 422.554 2.808 20 0 HFADMO C[C@H](Cc1ccco1)NC(=O)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000787607197 1076875668 /nfs/dbraw/zinc/87/56/68/1076875668.db2.gz ALJVDJGQTPXMTI-BEFAXECRSA-N 1 1 403.910 2.934 20 0 HFADMO C[N@@H+]1C[C@H]2CN(C(=O)CNC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C1 ZINC000787630896 1076884260 /nfs/dbraw/zinc/88/42/60/1076884260.db2.gz XLYZSWHEROADOR-CALCHBBNSA-N 1 1 405.498 2.545 20 0 HFADMO C[N@@H+]1C[C@H]2CN(C(=O)c3cccn3C3CCN(C(=O)OC(C)(C)C)CC3)C[C@H]2C1 ZINC000787636030 1076886336 /nfs/dbraw/zinc/88/63/36/1076886336.db2.gz NMZAPIRDDAYOJN-CALCHBBNSA-N 1 1 402.539 2.694 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000787683161 1076909781 /nfs/dbraw/zinc/90/97/81/1076909781.db2.gz JCEDOTZIVSYTBC-QGZVFWFLSA-N 1 1 409.571 2.735 20 0 HFADMO C[N@@H+](CCCNC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1)C1CCCCC1 ZINC000787686785 1076911895 /nfs/dbraw/zinc/91/18/95/1076911895.db2.gz GOXLABJCPVUPCI-RBUKOAKNSA-N 1 1 421.607 2.933 20 0 HFADMO Cc1cccc(CN2CC[NH+]([C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@]3(C)O)CC2)c1 ZINC000787688972 1076912511 /nfs/dbraw/zinc/91/25/11/1076912511.db2.gz QIWZGZICMFFWQV-NFBKMPQASA-N 1 1 403.567 2.873 20 0 HFADMO CC[N@H+](CC(=O)Nc1ccccc1OC)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000787690356 1076913062 /nfs/dbraw/zinc/91/30/62/1076913062.db2.gz XSPIKPMNQGMKNK-PGRDOPGGSA-N 1 1 421.538 2.716 20 0 HFADMO CC[N@@H+](CC(=O)Nc1ccccc1OC)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000787690356 1076913065 /nfs/dbraw/zinc/91/30/65/1076913065.db2.gz XSPIKPMNQGMKNK-PGRDOPGGSA-N 1 1 421.538 2.716 20 0 HFADMO CC[N@H+](CC(=O)Nc1ccccc1OC)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000787690358 1076913079 /nfs/dbraw/zinc/91/30/79/1076913079.db2.gz XSPIKPMNQGMKNK-XMSQKQJNSA-N 1 1 421.538 2.716 20 0 HFADMO CC[N@@H+](CC(=O)Nc1ccccc1OC)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000787690358 1076913082 /nfs/dbraw/zinc/91/30/82/1076913082.db2.gz XSPIKPMNQGMKNK-XMSQKQJNSA-N 1 1 421.538 2.716 20 0 HFADMO Cc1ccccc1CN1CC[NH+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1 ZINC000787690629 1076913874 /nfs/dbraw/zinc/91/38/74/1076913874.db2.gz YKDZEVOVPGDIFX-OFNKIYASSA-N 1 1 403.567 2.873 20 0 HFADMO O=C(NCc1cnc(N2CCOCC2)s1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000787758667 1076929330 /nfs/dbraw/zinc/92/93/30/1076929330.db2.gz WXMLHJRDASPJHK-LJQANCHMSA-N 1 1 400.548 2.651 20 0 HFADMO O=C(NCc1cnc(N2CCOCC2)s1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000787758667 1076929332 /nfs/dbraw/zinc/92/93/32/1076929332.db2.gz WXMLHJRDASPJHK-LJQANCHMSA-N 1 1 400.548 2.651 20 0 HFADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000787904490 1076988640 /nfs/dbraw/zinc/98/86/40/1076988640.db2.gz SZGLKUWUKHXTDX-DENIHFKCSA-N 1 1 415.578 2.729 20 0 HFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)C1 ZINC000787909789 1076991798 /nfs/dbraw/zinc/99/17/98/1076991798.db2.gz JQSVPBLZVSFAHS-ZGXWSNOMSA-N 1 1 419.566 2.568 20 0 HFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000787911246 1076992058 /nfs/dbraw/zinc/99/20/58/1076992058.db2.gz NMDJFGAUIBIBMB-YRNRMSPPSA-N 1 1 405.970 2.798 20 0 HFADMO C[C@H](Cc1ccco1)NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000787961420 1077009934 /nfs/dbraw/zinc/00/99/34/1077009934.db2.gz LDRLKKKHKMNUIQ-PBHICJAKSA-N 1 1 423.435 2.736 20 0 HFADMO C[C@H](Cc1ccco1)NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000787961420 1077009939 /nfs/dbraw/zinc/00/99/39/1077009939.db2.gz LDRLKKKHKMNUIQ-PBHICJAKSA-N 1 1 423.435 2.736 20 0 HFADMO C[C@@H](Cc1ccco1)NC(=O)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000787963568 1077010509 /nfs/dbraw/zinc/01/05/09/1077010509.db2.gz OSRSLDKMIUADNA-KRWDZBQOSA-N 1 1 409.486 2.868 20 0 HFADMO C[C@@H](Cc1ccco1)NC(=O)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000787963568 1077010514 /nfs/dbraw/zinc/01/05/14/1077010514.db2.gz OSRSLDKMIUADNA-KRWDZBQOSA-N 1 1 409.486 2.868 20 0 HFADMO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000787993797 1077021989 /nfs/dbraw/zinc/02/19/89/1077021989.db2.gz XVMWAYUZAZXOSX-NHCICSSKSA-N 1 1 415.578 2.726 20 0 HFADMO CN(C)c1ccc(NC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1Cl ZINC000746723111 1077022089 /nfs/dbraw/zinc/02/20/89/1077022089.db2.gz CABYBYXWSVUDJX-UHFFFAOYSA-N 1 1 421.973 2.814 20 0 HFADMO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788002637 1077024732 /nfs/dbraw/zinc/02/47/32/1077024732.db2.gz GNBUCPAOBIOONI-MRXNPFEDSA-N 1 1 423.529 2.697 20 0 HFADMO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788004560 1077025854 /nfs/dbraw/zinc/02/58/54/1077025854.db2.gz WDIYIPDPZUVMTH-OWSLCNJRSA-N 1 1 411.587 2.667 20 0 HFADMO Cc1ccc([C@H](C)NC(=O)C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000788016305 1077029529 /nfs/dbraw/zinc/02/95/29/1077029529.db2.gz SEMLVNZDTMYBQW-AEFFLSMTSA-N 1 1 414.575 2.561 20 0 HFADMO Cc1ccc([C@H](C)NC(=O)C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000788016312 1077029579 /nfs/dbraw/zinc/02/95/79/1077029579.db2.gz SEMLVNZDTMYBQW-WMZOPIPTSA-N 1 1 414.575 2.561 20 0 HFADMO CC(C)Oc1ccc(CNC(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000787983349 1077032100 /nfs/dbraw/zinc/03/21/00/1077032100.db2.gz NUMOHICTYXQSBS-DEOSSOPVSA-N 1 1 424.545 2.513 20 0 HFADMO CCCC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000788038960 1077037036 /nfs/dbraw/zinc/03/70/36/1077037036.db2.gz AHXPZZYUDDATJS-HNNXBMFYSA-N 1 1 417.597 2.580 20 0 HFADMO Cn1cc[nH+]c1[C@H]1CCN(CN2C(=O)C(=O)c3c2ccc(Br)c3Cl)C1 ZINC000788046101 1077040378 /nfs/dbraw/zinc/04/03/78/1077040378.db2.gz VZZFEMKGKDBIIB-JTQLQIEISA-N 1 1 423.698 2.812 20 0 HFADMO CCOC(=O)N1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)CC1 ZINC000746742852 1077114189 /nfs/dbraw/zinc/11/41/89/1077114189.db2.gz OLKQRJHIAMNNRJ-GOSISDBHSA-N 1 1 402.539 2.913 20 0 HFADMO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](Cn2c3ccccc3nc2SC(F)F)C1 ZINC000788389897 1077121803 /nfs/dbraw/zinc/12/18/03/1077121803.db2.gz WTYKHUANSCYTBI-CYBMUJFWSA-N 1 1 416.519 2.808 20 0 HFADMO O=S1(=O)CCCN1[C@@H]1CCC[N@H+](Cn2c3ccccc3nc2SC(F)F)C1 ZINC000788389897 1077121804 /nfs/dbraw/zinc/12/18/04/1077121804.db2.gz WTYKHUANSCYTBI-CYBMUJFWSA-N 1 1 416.519 2.808 20 0 HFADMO C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000788468743 1077169545 /nfs/dbraw/zinc/16/95/45/1077169545.db2.gz CRWMFLURQPHXGA-BLLLJJGKSA-N 1 1 407.312 2.945 20 0 HFADMO CCOC(=O)[C@@H]1[C@@H](NC[C@H](c2ccccc2)[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000788504434 1077185228 /nfs/dbraw/zinc/18/52/28/1077185228.db2.gz QFPJKMMBOUBJIN-OTWHNJEPSA-N 1 1 405.539 2.820 20 0 HFADMO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCSC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000788525153 1077191230 /nfs/dbraw/zinc/19/12/30/1077191230.db2.gz BVVOOTGQWBQABZ-GDBMZVCRSA-N 1 1 417.497 2.867 20 0 HFADMO CC(C)(C)OC(=O)N1CCN(CC[NH+]2CCN(c3cc(F)ccc3F)CC2)CC1 ZINC000788483933 1077191958 /nfs/dbraw/zinc/19/19/58/1077191958.db2.gz ZICIXRQYMUFXMW-UHFFFAOYSA-N 1 1 410.509 2.640 20 0 HFADMO CC[N@@H+](CCNC(=O)C(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(C)C ZINC000788483984 1077191977 /nfs/dbraw/zinc/19/19/77/1077191977.db2.gz GPXPZMAKONSJNY-ITGUQSILSA-N 1 1 419.410 2.859 20 0 HFADMO CCN1CCN(c2ccc(C[NH2+][C@@H](C)C3CN(C(=O)OC(C)(C)C)C3)cn2)CC1 ZINC000788538712 1077193329 /nfs/dbraw/zinc/19/33/29/1077193329.db2.gz IULYBIZXPFGOLV-KRWDZBQOSA-N 1 1 403.571 2.569 20 0 HFADMO CCN1CCN(c2ccc(C[NH2+]C3CC4(C3)CN(C(=O)OC(C)(C)C)C4)cn2)CC1 ZINC000788541235 1077194081 /nfs/dbraw/zinc/19/40/81/1077194081.db2.gz XYVYQKGXTAMNCZ-UHFFFAOYSA-N 1 1 415.582 2.713 20 0 HFADMO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1ccnc(N2CCN(C)CC2)c1 ZINC000788540529 1077194431 /nfs/dbraw/zinc/19/44/31/1077194431.db2.gz SRSNDEZYDWJRTC-QUCCMNQESA-N 1 1 417.598 2.959 20 0 HFADMO C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCCSC(F)(F)F)[C@@H]1c1cccs1 ZINC000788543364 1077195280 /nfs/dbraw/zinc/19/52/80/1077195280.db2.gz UTOJPGWGLIIDEY-WCQYABFASA-N 1 1 409.499 2.616 20 0 HFADMO CC(C)OC(=O)NCc1ccc(NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000788605816 1077221271 /nfs/dbraw/zinc/22/12/71/1077221271.db2.gz QAJZFBWMJQLMLH-CALCHBBNSA-N 1 1 406.527 2.894 20 0 HFADMO CC(C)OC(=O)NCc1ccc(NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000788605816 1077221275 /nfs/dbraw/zinc/22/12/75/1077221275.db2.gz QAJZFBWMJQLMLH-CALCHBBNSA-N 1 1 406.527 2.894 20 0 HFADMO C[NH+](C)[C@H](CNC(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1Cl ZINC000788619880 1077231115 /nfs/dbraw/zinc/23/11/15/1077231115.db2.gz WMAXTPNYNLOOOC-CXAGYDPISA-N 1 1 424.929 2.729 20 0 HFADMO C[NH+](C)[C@H](CNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)c1ccco1 ZINC000788620770 1077231480 /nfs/dbraw/zinc/23/14/80/1077231480.db2.gz IGOHUAKATDZCGG-GBESFXJTSA-N 1 1 422.485 2.590 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000788628686 1077236000 /nfs/dbraw/zinc/23/60/00/1077236000.db2.gz YJJPYMXEMQRHRG-MHZLTWQESA-N 1 1 407.458 2.889 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000788628686 1077236004 /nfs/dbraw/zinc/23/60/04/1077236004.db2.gz YJJPYMXEMQRHRG-MHZLTWQESA-N 1 1 407.458 2.889 20 0 HFADMO Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(Cl)n1 ZINC000788682313 1077249048 /nfs/dbraw/zinc/24/90/48/1077249048.db2.gz LEMBTMRXVOWGGG-QGZVFWFLSA-N 1 1 409.939 2.613 20 0 HFADMO Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(Cl)n1 ZINC000788682313 1077249050 /nfs/dbraw/zinc/24/90/50/1077249050.db2.gz LEMBTMRXVOWGGG-QGZVFWFLSA-N 1 1 409.939 2.613 20 0 HFADMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000788669730 1077261830 /nfs/dbraw/zinc/26/18/30/1077261830.db2.gz YFSQLVKKHGUIQF-WOJBJXKFSA-N 1 1 421.501 2.632 20 0 HFADMO CC(C)N(C)c1ccc(CNc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)cn1 ZINC000790978576 1077269043 /nfs/dbraw/zinc/26/90/43/1077269043.db2.gz OVJAYUKKSAPJPB-UHFFFAOYSA-N 1 1 424.593 2.749 20 0 HFADMO CO[C@H]1CCOc2c(NC(=O)C(=O)Nc3ccc(-n4cc[nH+]c4C)nc3)cccc21 ZINC000791010857 1077270086 /nfs/dbraw/zinc/27/00/86/1077270086.db2.gz JQKCSBXYKOAAFK-KRWDZBQOSA-N 1 1 407.430 2.623 20 0 HFADMO O=C([C@@H](Cc1ccccc1)[NH2+][C@H]1COCc2cccc(Cl)c21)N1CCOCC1 ZINC000788753190 1077276710 /nfs/dbraw/zinc/27/67/10/1077276710.db2.gz ZFLMDOFPSNDWJE-UXHICEINSA-N 1 1 400.906 2.971 20 0 HFADMO CCN(CC)C(=O)CCC1CC[NH+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)CC1 ZINC000788777627 1077298794 /nfs/dbraw/zinc/29/87/94/1077298794.db2.gz KSQSXGSGNABZTI-OAQYLSRUSA-N 1 1 413.562 2.922 20 0 HFADMO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CN1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000788781156 1077299752 /nfs/dbraw/zinc/29/97/52/1077299752.db2.gz ZGNKIRGSQGTPRS-NEWSRXKRSA-N 1 1 415.534 2.797 20 0 HFADMO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CN1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000788781156 1077299755 /nfs/dbraw/zinc/29/97/55/1077299755.db2.gz ZGNKIRGSQGTPRS-NEWSRXKRSA-N 1 1 415.534 2.797 20 0 HFADMO CN(C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788820396 1077308277 /nfs/dbraw/zinc/30/82/77/1077308277.db2.gz OAHVDYSOJHNKKP-FKBYEOEOSA-N 1 1 406.530 2.874 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)NCCc2ccc(N3CCCCC3)cc2)C[C@H](C)O1 ZINC000788873887 1077325928 /nfs/dbraw/zinc/32/59/28/1077325928.db2.gz GXLUAWZVVRBKAB-BGYRXZFFSA-N 1 1 402.583 2.970 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)NCCc2ccc(N3CCCCC3)cc2)C[C@H](C)O1 ZINC000788873887 1077325933 /nfs/dbraw/zinc/32/59/33/1077325933.db2.gz GXLUAWZVVRBKAB-BGYRXZFFSA-N 1 1 402.583 2.970 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)N2CCSC(C)(C)CC2)CC1 ZINC000788879190 1077327786 /nfs/dbraw/zinc/32/77/86/1077327786.db2.gz SJUAKWAMPWKOGL-UHFFFAOYSA-N 1 1 414.616 2.856 20 0 HFADMO COCC[N@@H+](C)CCCC1CCN(S(=O)(=O)C2=Cc3ccccc3OC2)CC1 ZINC000788907258 1077348670 /nfs/dbraw/zinc/34/86/70/1077348670.db2.gz VISUUDCIWVRCTN-UHFFFAOYSA-N 1 1 408.564 2.820 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCc2ccccc2C(F)(F)F)cn1 ZINC000746997161 1077367729 /nfs/dbraw/zinc/36/77/29/1077367729.db2.gz SOSWHQQFSDBVHD-UHFFFAOYSA-N 1 1 403.364 2.849 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)NCCc2ccc(Br)cc2F)C[C@H](C)O1 ZINC000788989953 1077375034 /nfs/dbraw/zinc/37/50/34/1077375034.db2.gz VUKYDSMKEDZMCR-OKILXGFUSA-N 1 1 416.335 2.881 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)NCCc2ccc(Br)cc2F)C[C@H](C)O1 ZINC000788989953 1077375040 /nfs/dbraw/zinc/37/50/40/1077375040.db2.gz VUKYDSMKEDZMCR-OKILXGFUSA-N 1 1 416.335 2.881 20 0 HFADMO COC(=O)[C@@H](C)C[N@@H+](CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)C1CC1 ZINC000772728678 1077380279 /nfs/dbraw/zinc/38/02/79/1077380279.db2.gz IHPBRHPUDWVRRI-YESZJQIVSA-N 1 1 403.523 2.512 20 0 HFADMO COc1ccc(C(C)(C)CNC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000747008676 1077396337 /nfs/dbraw/zinc/39/63/37/1077396337.db2.gz UEWDSXBAELTHSG-UHFFFAOYSA-N 1 1 407.474 2.617 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)C2)c1 ZINC000791478136 1077419847 /nfs/dbraw/zinc/41/98/47/1077419847.db2.gz JSNKQCKNCWIYJW-IRLDBZIGSA-N 1 1 409.486 2.712 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)C2)c1 ZINC000791478136 1077419849 /nfs/dbraw/zinc/41/98/49/1077419849.db2.gz JSNKQCKNCWIYJW-IRLDBZIGSA-N 1 1 409.486 2.712 20 0 HFADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000772731065 1077425085 /nfs/dbraw/zinc/42/50/85/1077425085.db2.gz AWGXXTKZIAOIEE-LRDDRELGSA-N 1 1 403.306 2.513 20 0 HFADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)C[C@H](C)O1 ZINC000791489462 1077429239 /nfs/dbraw/zinc/42/92/39/1077429239.db2.gz GRMLXNNMVXBGCH-HOTGVXAUSA-N 1 1 420.554 2.975 20 0 HFADMO C[C@@H](OC(=O)c1cc(Cl)cc(F)c1N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000791475964 1077446646 /nfs/dbraw/zinc/44/66/46/1077446646.db2.gz RMHMQCGUMWLZRD-CZUORRHYSA-N 1 1 419.884 2.997 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCCC[N@H+]3CCc4ccccc4C3)C2)c1 ZINC000791509169 1077448726 /nfs/dbraw/zinc/44/87/26/1077448726.db2.gz RVBPOZZXDZGGSS-QHCPKHFHSA-N 1 1 423.513 2.761 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@@H](C)[N@H+]3CCc4ccccc4C3)C2)c1 ZINC000791510238 1077449252 /nfs/dbraw/zinc/44/92/52/1077449252.db2.gz NYDWCIGUTMEHIG-WAIKUNEKSA-N 1 1 423.513 2.760 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)COc2ccc(F)cc2Br)CC1 ZINC000791520234 1077453291 /nfs/dbraw/zinc/45/32/91/1077453291.db2.gz LRAYZLPDCQVEMD-UHFFFAOYSA-N 1 1 417.319 2.926 20 0 HFADMO C[N@H+]1CCCN(c2ccc(CNC(=S)NCCc3ccc(F)cc3)cn2)CC1 ZINC000789193552 1077455135 /nfs/dbraw/zinc/45/51/35/1077455135.db2.gz CUPRADGMSKVQSM-UHFFFAOYSA-N 1 1 401.555 2.569 20 0 HFADMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2nc(Br)ccc2F)c1 ZINC000791534230 1077456678 /nfs/dbraw/zinc/45/66/78/1077456678.db2.gz PCUMVBOSPGHHNC-AWEZNQCLSA-N 1 1 421.270 2.685 20 0 HFADMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2nc(Br)ccc2F)c1 ZINC000791534230 1077456681 /nfs/dbraw/zinc/45/66/81/1077456681.db2.gz PCUMVBOSPGHHNC-AWEZNQCLSA-N 1 1 421.270 2.685 20 0 HFADMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)Nc1ccnn1C1CCCC1 ZINC000746792895 1077484417 /nfs/dbraw/zinc/48/44/17/1077484417.db2.gz BTCQTBPVJUKFQQ-LJQANCHMSA-N 1 1 409.534 2.618 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@H]3CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000791596148 1077496798 /nfs/dbraw/zinc/49/67/98/1077496798.db2.gz YTEDWRUSHCZFFC-WZONZLPQSA-N 1 1 423.513 2.978 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000791641393 1077505142 /nfs/dbraw/zinc/50/51/42/1077505142.db2.gz XKAVZANUGRJCCN-UHFFFAOYSA-N 1 1 419.610 2.668 20 0 HFADMO O=C(N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1c1ccccc1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001086600523 1077506983 /nfs/dbraw/zinc/50/69/83/1077506983.db2.gz YQTWYUSLPCSFKO-XHZJXSRYSA-N 1 1 418.537 2.687 20 0 HFADMO CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+](C[C@H](O)C3CCCCC3)C2)CC1 ZINC000789310834 1077509153 /nfs/dbraw/zinc/50/91/53/1077509153.db2.gz WDEPJZDUNSHTMB-PMACEKPBSA-N 1 1 423.598 2.719 20 0 HFADMO CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)nc1 ZINC000791647368 1077509875 /nfs/dbraw/zinc/50/98/75/1077509875.db2.gz PDIWSJUPIIAFMI-RTBURBONSA-N 1 1 418.538 2.731 20 0 HFADMO CC[C@@H](C)[C@H](NC(=O)C[NH+]1CCC(COc2ccc(Cl)nc2)CC1)C(=O)OC ZINC000789316020 1077511580 /nfs/dbraw/zinc/51/15/80/1077511580.db2.gz VSZKMDJBHFNPGT-KUHUBIRLSA-N 1 1 411.930 2.530 20 0 HFADMO CN1C(=O)C[C@H](C(=O)OCCC[NH+]2CCOCC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000791656553 1077514499 /nfs/dbraw/zinc/51/44/99/1077514499.db2.gz HSHMKWQEQCISCV-KSSFIOAISA-N 1 1 415.317 2.778 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC(=O)NCCOc1ccc(F)cc1 ZINC000789356062 1077514820 /nfs/dbraw/zinc/51/48/20/1077514820.db2.gz DCJGNKGFXOBCOB-INIZCTEOSA-N 1 1 415.465 2.970 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC(=O)NCCOc1ccc(F)cc1 ZINC000789356062 1077514826 /nfs/dbraw/zinc/51/48/26/1077514826.db2.gz DCJGNKGFXOBCOB-INIZCTEOSA-N 1 1 415.465 2.970 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCNS(=O)(=O)c1ccccc1 ZINC000789359967 1077514841 /nfs/dbraw/zinc/51/48/41/1077514841.db2.gz VUAYYRVZXIWGMA-INIZCTEOSA-N 1 1 403.504 2.615 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCNS(=O)(=O)c1ccccc1 ZINC000789359967 1077514846 /nfs/dbraw/zinc/51/48/46/1077514846.db2.gz VUAYYRVZXIWGMA-INIZCTEOSA-N 1 1 403.504 2.615 20 0 HFADMO C[C@](O)(CN1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000789355574 1077515202 /nfs/dbraw/zinc/51/52/02/1077515202.db2.gz DSVXSPQTCKDDAX-QFIPXVFZSA-N 1 1 417.575 2.710 20 0 HFADMO Cc1c(Cl)cccc1N1CCCN(C(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000789320099 1077517116 /nfs/dbraw/zinc/51/71/16/1077517116.db2.gz OMRIQWGKHZZBHP-UHFFFAOYSA-N 1 1 411.015 2.757 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3c[nH+]ccc3-n3cc(C)cn3)C2)c1 ZINC000791665351 1077518172 /nfs/dbraw/zinc/51/81/72/1077518172.db2.gz MHRYQIBIQXRWAM-HXUWFJFHSA-N 1 1 407.430 2.725 20 0 HFADMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@](C)(O)CC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000791629374 1077519533 /nfs/dbraw/zinc/51/95/33/1077519533.db2.gz VBQVHUGKCTZADG-WIYYLYMNSA-N 1 1 421.925 2.748 20 0 HFADMO CCOC(=O)C1=C(C[N@H+]2CCC[C@@](C)(O)CC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000791629374 1077519536 /nfs/dbraw/zinc/51/95/36/1077519536.db2.gz VBQVHUGKCTZADG-WIYYLYMNSA-N 1 1 421.925 2.748 20 0 HFADMO CCOC(=O)C1C(C[N@@H+]2CCC[C@@](C)(O)CC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000791629374 1077519541 /nfs/dbraw/zinc/51/95/41/1077519541.db2.gz VBQVHUGKCTZADG-WIYYLYMNSA-N 1 1 421.925 2.748 20 0 HFADMO CCOC(=O)C1C(C[N@H+]2CCC[C@@](C)(O)CC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000791629374 1077519547 /nfs/dbraw/zinc/51/95/47/1077519547.db2.gz VBQVHUGKCTZADG-WIYYLYMNSA-N 1 1 421.925 2.748 20 0 HFADMO CC[N@H+]1CCC[C@H]1CNC(=S)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000789326524 1077521143 /nfs/dbraw/zinc/52/11/43/1077521143.db2.gz ZPBORHMXEDDVHA-AWEZNQCLSA-N 1 1 423.526 2.557 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)C2)c1 ZINC000791707673 1077521724 /nfs/dbraw/zinc/52/17/24/1077521724.db2.gz YCMPTOQLKWLDHB-HNKPZJSLSA-N 1 1 423.513 2.834 20 0 HFADMO Cc1ccc([C@@](O)(CC(=O)OCCC[NH+]2CCN(C(C)C)CC2)C(F)(F)F)o1 ZINC000791673172 1077524263 /nfs/dbraw/zinc/52/42/63/1077524263.db2.gz BQKSDSMUAGWQDT-SFHVURJKSA-N 1 1 406.445 2.687 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCc1ccc(S(N)(=O)=O)cc1 ZINC000789362761 1077538220 /nfs/dbraw/zinc/53/82/20/1077538220.db2.gz BAKBBZKBPVIOSI-OAHLLOKOSA-N 1 1 403.504 2.526 20 0 HFADMO COC(=O)C1(NC(=O)C[N@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)CCCCC1 ZINC000789364663 1077539344 /nfs/dbraw/zinc/53/93/44/1077539344.db2.gz PISGOISBMZPWTL-MRXNPFEDSA-N 1 1 417.506 2.628 20 0 HFADMO COC(=O)C1(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)CCCCC1 ZINC000789364663 1077539351 /nfs/dbraw/zinc/53/93/51/1077539351.db2.gz PISGOISBMZPWTL-MRXNPFEDSA-N 1 1 417.506 2.628 20 0 HFADMO Cc1cc(N2CCC[C@@H](OC(=O)[C@@H]3CC34CN(C(=O)OC(C)(C)C)C4)C2)nc(C)[nH+]1 ZINC000789368537 1077541030 /nfs/dbraw/zinc/54/10/30/1077541030.db2.gz CUFRZJHTNWLUAM-SJORKVTESA-N 1 1 416.522 2.862 20 0 HFADMO CC(C)N(C)c1ccc(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1F ZINC000746803046 1077542286 /nfs/dbraw/zinc/54/22/86/1077542286.db2.gz KTGXRBFWOASJGT-KRWDZBQOSA-N 1 1 404.530 2.799 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000791764971 1077557006 /nfs/dbraw/zinc/55/70/06/1077557006.db2.gz DSNLWAKMSZZCKS-LJQANCHMSA-N 1 1 407.942 2.652 20 0 HFADMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000791828378 1077576171 /nfs/dbraw/zinc/57/61/71/1077576171.db2.gz NDYNSXVLVSRHIM-SJORKVTESA-N 1 1 413.440 2.788 20 0 HFADMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000791828376 1077576258 /nfs/dbraw/zinc/57/62/58/1077576258.db2.gz NDYNSXVLVSRHIM-IAGOWNOFSA-N 1 1 413.440 2.788 20 0 HFADMO Cc1nc(Cl)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000789461334 1077583511 /nfs/dbraw/zinc/58/35/11/1077583511.db2.gz BOLATYBPPAUSIY-KRWDZBQOSA-N 1 1 400.910 2.663 20 0 HFADMO CC1(C)C[N@@H+](Cc2ccccc2)C[C@@H](COC(=O)CN2CCc3ccccc3C2=O)O1 ZINC000789485144 1077588712 /nfs/dbraw/zinc/58/87/12/1077588712.db2.gz GOFMGXUBQZCJNI-NRFANRHFSA-N 1 1 422.525 2.908 20 0 HFADMO CCNC(=O)C[C@H]1CCCC[N@@H+]1CN1C(=O)N[C@@](CC)(c2ccc(Cl)cc2)C1=O ZINC000789518659 1077612966 /nfs/dbraw/zinc/61/29/66/1077612966.db2.gz HBZAUJRZEPKOMS-UTKZUKDTSA-N 1 1 420.941 2.835 20 0 HFADMO CCNC(=O)C[C@H]1CCCC[N@H+]1CN1C(=O)N[C@@](CC)(c2ccc(Cl)cc2)C1=O ZINC000789518659 1077612969 /nfs/dbraw/zinc/61/29/69/1077612969.db2.gz HBZAUJRZEPKOMS-UTKZUKDTSA-N 1 1 420.941 2.835 20 0 HFADMO C[N@@H+](C[C@@H](O)COCc1ccccc1Cl)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789519189 1077613405 /nfs/dbraw/zinc/61/34/05/1077613405.db2.gz XOSQMLNUHLCPHT-CTNGQTDRSA-N 1 1 402.922 2.950 20 0 HFADMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O ZINC000791980701 1077620579 /nfs/dbraw/zinc/62/05/79/1077620579.db2.gz MWPNVVLQNHDLFE-NGWCSTFBSA-N 1 1 424.545 2.630 20 0 HFADMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000791981201 1077621662 /nfs/dbraw/zinc/62/16/62/1077621662.db2.gz CFQPBKIOGBLPBB-UGKGYDQZSA-N 1 1 402.498 2.619 20 0 HFADMO C[C@H](CNC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000746826940 1077623954 /nfs/dbraw/zinc/62/39/54/1077623954.db2.gz BQMLSQSPNWLPCU-RBUKOAKNSA-N 1 1 418.582 2.816 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000791964908 1077638240 /nfs/dbraw/zinc/63/82/40/1077638240.db2.gz QDNAXRORGXTFHQ-IBGZPJMESA-N 1 1 407.942 2.652 20 0 HFADMO Cc1nc(Cl)ccc1NC(=O)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000789564825 1077643891 /nfs/dbraw/zinc/64/38/91/1077643891.db2.gz IXDCDBSQMPZWRM-QGZVFWFLSA-N 1 1 400.910 2.962 20 0 HFADMO COCCOc1ccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000792057672 1077663017 /nfs/dbraw/zinc/66/30/17/1077663017.db2.gz PRCUQGPMSXDTPC-UHFFFAOYSA-N 1 1 407.511 2.593 20 0 HFADMO C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)N(C)c1ccccc1 ZINC000792058204 1077664925 /nfs/dbraw/zinc/66/49/25/1077664925.db2.gz JNKQDFALGRQHCO-SFHVURJKSA-N 1 1 404.555 2.570 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2ccc(N3CCOC3=O)cc2)CC1 ZINC000792078282 1077684795 /nfs/dbraw/zinc/68/47/95/1077684795.db2.gz ZZJIHOYUZBQZJS-UHFFFAOYSA-N 1 1 418.494 2.525 20 0 HFADMO C[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1ccc2c(c1)OCO2 ZINC000792039355 1077689235 /nfs/dbraw/zinc/68/92/35/1077689235.db2.gz PSOWLHFUIHRYQE-HNNXBMFYSA-N 1 1 405.495 2.535 20 0 HFADMO CC(=O)Nc1cccc([C@H](C)NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792047002 1077693107 /nfs/dbraw/zinc/69/31/07/1077693107.db2.gz RBMKFVMLWAZRIU-INIZCTEOSA-N 1 1 418.538 2.765 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2cccc(N3CCOC3=O)c2)CC1 ZINC000792050884 1077695004 /nfs/dbraw/zinc/69/50/04/1077695004.db2.gz WPRAUAWUOLWFQZ-UHFFFAOYSA-N 1 1 418.494 2.525 20 0 HFADMO CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)nc1 ZINC000792104785 1077698263 /nfs/dbraw/zinc/69/82/63/1077698263.db2.gz UUIPQXJEATWNFL-IBGZPJMESA-N 1 1 418.538 2.684 20 0 HFADMO C/C=C(\CC)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CC[NH+](C)CC1 ZINC000789611052 1077708048 /nfs/dbraw/zinc/70/80/48/1077708048.db2.gz QQJFVUZPNGNLHH-UBKPWBPPSA-N 1 1 422.595 2.764 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)CC1 ZINC000792128508 1077715909 /nfs/dbraw/zinc/71/59/09/1077715909.db2.gz DOYKMOJYFJNYRF-HBMCJLEFSA-N 1 1 415.582 2.573 20 0 HFADMO CC(C)(C)OC(=O)NCCC(N)=[NH+]OCc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000789644636 1077717366 /nfs/dbraw/zinc/71/73/66/1077717366.db2.gz KTOFCKNKEISKPK-UHFFFAOYSA-N 1 1 407.439 2.596 20 0 HFADMO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000789658251 1077722631 /nfs/dbraw/zinc/72/26/31/1077722631.db2.gz CUUVCFPAYXMFOI-GOTSBHOMSA-N 1 1 423.557 2.658 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@H]2C[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC000792150399 1077723629 /nfs/dbraw/zinc/72/36/29/1077723629.db2.gz HQYVAHMKWSPXAF-RTBURBONSA-N 1 1 411.587 2.981 20 0 HFADMO COc1cc2cnnc(N(C(N)=[NH2+])c3ccc(N4CCOCC4)cc3)c2cc1OC ZINC001170163307 1077724770 /nfs/dbraw/zinc/72/47/70/1077724770.db2.gz XMFLFWWVAXESKB-UHFFFAOYSA-N 1 1 408.462 2.515 20 0 HFADMO CCOCC[NH+]1CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000792155548 1077724989 /nfs/dbraw/zinc/72/49/89/1077724989.db2.gz ANLYEIIYOYGZQD-IBGZPJMESA-N 1 1 423.529 2.615 20 0 HFADMO O=C(NCc1ccc(N2CCOC2=O)cc1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792162753 1077727655 /nfs/dbraw/zinc/72/76/55/1077727655.db2.gz FOLUSQYPSVNIGK-FQEVSTJZSA-N 1 1 408.502 2.965 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)CC1 ZINC000792125543 1077730368 /nfs/dbraw/zinc/73/03/68/1077730368.db2.gz UYZGNOIUNTXHMY-CTNGQTDRSA-N 1 1 417.550 2.966 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2ccc(OCC(C)(C)O)cc2)CC1 ZINC000792208409 1077731192 /nfs/dbraw/zinc/73/11/92/1077731192.db2.gz KOEXQRFMPWEWMA-UHFFFAOYSA-N 1 1 421.538 2.718 20 0 HFADMO C[C@H](CNC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000792165930 1077731847 /nfs/dbraw/zinc/73/18/47/1077731847.db2.gz MKOPKVXWONIKLA-LJQANCHMSA-N 1 1 418.582 2.566 20 0 HFADMO CC(C)N(C)c1ccc(C[N@@H+](C)CCN2CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC000792167867 1077732533 /nfs/dbraw/zinc/73/25/33/1077732533.db2.gz SVEVYIPUKRUMRE-UHFFFAOYSA-N 1 1 405.587 2.911 20 0 HFADMO COC(=O)N1CCC([C@@H](C)NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000792180902 1077736728 /nfs/dbraw/zinc/73/67/28/1077736728.db2.gz WATDXQMYVCEZSW-UIFIKXQLSA-N 1 1 414.550 2.627 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NC[C@H]2CCc3ccccc3C2)CC1 ZINC000792184153 1077737838 /nfs/dbraw/zinc/73/78/38/1077737838.db2.gz INTFYTNNXVCBGU-SFHVURJKSA-N 1 1 401.551 2.851 20 0 HFADMO C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1nc2ccccc2n1C ZINC000792191458 1077739731 /nfs/dbraw/zinc/73/97/31/1077739731.db2.gz XKAQIUDZLXAOPE-MRXNPFEDSA-N 1 1 415.538 2.693 20 0 HFADMO COc1ccc(O[C@@H](C)CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000792199755 1077742332 /nfs/dbraw/zinc/74/23/32/1077742332.db2.gz UFFWIFDFWGYZGX-KRWDZBQOSA-N 1 1 421.538 2.522 20 0 HFADMO Cc1csc([C@H](NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C2CC2)n1 ZINC000792199612 1077742805 /nfs/dbraw/zinc/74/28/05/1077742805.db2.gz JIRKTPQVMMSJFG-QGZVFWFLSA-N 1 1 408.568 2.962 20 0 HFADMO C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)C[C@H](O)c3ccc(Cl)cc3)c2)CC1 ZINC000772742791 1077743149 /nfs/dbraw/zinc/74/31/49/1077743149.db2.gz NVNXNTIWIHNIQO-FQEVSTJZSA-N 1 1 415.921 2.719 20 0 HFADMO C[C@H](NC(=O)c1nc(Br)ccc1F)C1([NH+]2CCOCC2)CCCC1 ZINC000792200412 1077743534 /nfs/dbraw/zinc/74/35/34/1077743534.db2.gz OQFUUZKKLYJUDE-LBPRGKRZSA-N 1 1 400.292 2.747 20 0 HFADMO C[C@@H](O)C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000792222951 1077748538 /nfs/dbraw/zinc/74/85/38/1077748538.db2.gz WDBHSLGZSGJYQL-QUCCMNQESA-N 1 1 419.566 2.600 20 0 HFADMO C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792236383 1077758082 /nfs/dbraw/zinc/75/80/82/1077758082.db2.gz KMXILDGHQSFMLS-APWZRJJASA-N 1 1 423.529 2.697 20 0 HFADMO Cc1cc(C)c(N2CC[C@H](NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C2=O)c(C)c1 ZINC000789722904 1077759192 /nfs/dbraw/zinc/75/91/92/1077759192.db2.gz BUOXFMHWGIEEFV-VXKWHMMOSA-N 1 1 421.541 2.734 20 0 HFADMO Cc1cc(C)c(N2CC[C@H](NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C2=O)c(C)c1 ZINC000789722904 1077759200 /nfs/dbraw/zinc/75/92/00/1077759200.db2.gz BUOXFMHWGIEEFV-VXKWHMMOSA-N 1 1 421.541 2.734 20 0 HFADMO C[C@@H]1C[N@H+](CCCCNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)C[C@H](C)O1 ZINC000792216730 1077770069 /nfs/dbraw/zinc/77/00/69/1077770069.db2.gz XJPLDISVXIOUCX-CALCHBBNSA-N 1 1 420.554 2.977 20 0 HFADMO Cn1c2cccc(F)c2nc1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792218942 1077771743 /nfs/dbraw/zinc/77/17/43/1077771743.db2.gz BRHBAGPYMWCULV-UHFFFAOYSA-N 1 1 405.474 2.594 20 0 HFADMO CCC[C@@H]1CN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)CC[N@H+]1CCOC ZINC000792290816 1077777506 /nfs/dbraw/zinc/77/75/06/1077777506.db2.gz SLUPYEPPAHFNGK-LJQANCHMSA-N 1 1 420.554 2.930 20 0 HFADMO O=C(NOCCO)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000792264301 1077786607 /nfs/dbraw/zinc/78/66/07/1077786607.db2.gz MMNNJTAXJVAKIG-UHFFFAOYSA-N 1 1 404.898 2.708 20 0 HFADMO CN(C)[C@@H]1CCOc2c(NC(=O)C(=O)N(C)Cc3ccc(C[NH+](C)C)cc3)cccc21 ZINC000789756218 1077786995 /nfs/dbraw/zinc/78/69/95/1077786995.db2.gz CMERWXAZYCCULL-OAQYLSRUSA-N 1 1 424.545 2.731 20 0 HFADMO CC[C@H](C)Oc1cc(CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)ccn1 ZINC000792301106 1077796428 /nfs/dbraw/zinc/79/64/28/1077796428.db2.gz NGEGUKDUOPOARO-KRWDZBQOSA-N 1 1 420.554 2.818 20 0 HFADMO CC(=O)Nc1cc(C(=O)OCC[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)ccc1F ZINC000789791547 1077797446 /nfs/dbraw/zinc/79/74/46/1077797446.db2.gz DWVAJRQLCCQHHJ-UHFFFAOYSA-N 1 1 423.485 2.884 20 0 HFADMO CC(=O)Nc1cc(C(=O)OCC[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)ccc1F ZINC000789791547 1077797452 /nfs/dbraw/zinc/79/74/52/1077797452.db2.gz DWVAJRQLCCQHHJ-UHFFFAOYSA-N 1 1 423.485 2.884 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CC[C@@H](COc3ccccc3)C2)CC1 ZINC000792307966 1077798627 /nfs/dbraw/zinc/79/86/27/1077798627.db2.gz SZLCTWAZPHXDNJ-LJQANCHMSA-N 1 1 417.550 2.857 20 0 HFADMO COc1ccc2c(c1)CC[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC000792314741 1077803325 /nfs/dbraw/zinc/80/33/25/1077803325.db2.gz NDALJAMLJWLFDM-IBGZPJMESA-N 1 1 417.550 2.612 20 0 HFADMO COc1ccc2c(c1)CC[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC000792314742 1077803422 /nfs/dbraw/zinc/80/34/22/1077803422.db2.gz NDALJAMLJWLFDM-LJQANCHMSA-N 1 1 417.550 2.612 20 0 HFADMO COc1cc(Cl)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792369779 1077818696 /nfs/dbraw/zinc/81/86/96/1077818696.db2.gz UMHQETIKVYCSCV-INIZCTEOSA-N 1 1 401.894 2.925 20 0 HFADMO C[C@H](c1nc(N)nc(N(C)C)n1)[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792334478 1077823797 /nfs/dbraw/zinc/82/37/97/1077823797.db2.gz XQXPZWHXVREWIF-OAHLLOKOSA-N 1 1 419.574 2.694 20 0 HFADMO CN(C(=O)c1ccc(NCc2cc(Br)nn2C)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000789889456 1077838051 /nfs/dbraw/zinc/83/80/51/1077838051.db2.gz GZGWPVZPZPOGFL-MRXNPFEDSA-N 1 1 420.355 2.961 20 0 HFADMO CCC[C@@H](NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1)[C@H](O)c1ccccc1 ZINC000792405270 1077838228 /nfs/dbraw/zinc/83/82/28/1077838228.db2.gz HWKVJEPBVKXGLS-UYAOXDASSA-N 1 1 407.474 2.533 20 0 HFADMO CCNC(=O)CN(C)Cn1nc(C[NH+]2CCCCC2)n(-c2ccc(F)cc2)c1=S ZINC000747074033 1077854551 /nfs/dbraw/zinc/85/45/51/1077854551.db2.gz LTOPGSZLFPLZPY-UHFFFAOYSA-N 1 1 420.558 2.554 20 0 HFADMO CCOC(=O)C1=C(C[N@@H+](CCOC)[C@@H]2CC[C@@H](C)C2)NC(=O)N[C@H]1c1ccco1 ZINC000792466630 1077860120 /nfs/dbraw/zinc/86/01/20/1077860120.db2.gz ZYCGSJDCPMRDDQ-CLCXKQKWSA-N 1 1 405.495 2.588 20 0 HFADMO CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000789961386 1077870678 /nfs/dbraw/zinc/87/06/78/1077870678.db2.gz IOQMIUGKWCPAGJ-QEJZJMRPSA-N 1 1 405.486 2.950 20 0 HFADMO CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000789961386 1077870683 /nfs/dbraw/zinc/87/06/83/1077870683.db2.gz IOQMIUGKWCPAGJ-QEJZJMRPSA-N 1 1 405.486 2.950 20 0 HFADMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000789996230 1077895855 /nfs/dbraw/zinc/89/58/55/1077895855.db2.gz WRWKUSFZIUFPCX-KRWDZBQOSA-N 1 1 418.538 2.683 20 0 HFADMO CC(C)N1CC[NH+](CCC(=O)NCc2ccc(Br)c(F)c2F)CC1 ZINC001170174618 1077899736 /nfs/dbraw/zinc/89/97/36/1077899736.db2.gz UXSRYPBFBUPTQM-UHFFFAOYSA-N 1 1 404.299 2.760 20 0 HFADMO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000772797986 1077900761 /nfs/dbraw/zinc/90/07/61/1077900761.db2.gz KVCXCCZSZNBHEB-KNQAVFIVSA-N 1 1 400.567 2.801 20 0 HFADMO CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000790007386 1077901503 /nfs/dbraw/zinc/90/15/03/1077901503.db2.gz IFXUHSLENVGXOI-KRWDZBQOSA-N 1 1 414.472 2.859 20 0 HFADMO CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC001626112219 1077905257 /nfs/dbraw/zinc/90/52/57/1077905257.db2.gz YRUGMRJTDKWPAT-GOSISDBHSA-N 1 1 415.559 2.973 20 0 HFADMO COc1ccc(CCS(=O)(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000790036947 1077907232 /nfs/dbraw/zinc/90/72/32/1077907232.db2.gz AZWRNYAYZXQKSC-KRWDZBQOSA-N 1 1 403.548 2.778 20 0 HFADMO CC[C@H]1C[C@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)CCO1 ZINC001170215982 1077909214 /nfs/dbraw/zinc/90/92/14/1077909214.db2.gz GDBYNRWLPMIBPZ-GFEQUFNTSA-N 1 1 402.568 2.662 20 0 HFADMO CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792579811 1077915835 /nfs/dbraw/zinc/91/58/35/1077915835.db2.gz XKTZBKVICYCQJO-ZCNNSNEGSA-N 1 1 417.550 2.507 20 0 HFADMO CC[C@@H]1C[C@@H]([N@H+]2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)CCO1 ZINC001170227964 1077917779 /nfs/dbraw/zinc/91/77/79/1077917779.db2.gz RAUZTBHXOIVDEF-RBUKOAKNSA-N 1 1 403.548 2.889 20 0 HFADMO CCOc1ccccc1C(=O)N1CC[NH+](CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000790080757 1077925305 /nfs/dbraw/zinc/92/53/05/1077925305.db2.gz VZPSDWBKGFIUBD-UHFFFAOYSA-N 1 1 403.523 2.710 20 0 HFADMO O=C(N[C@@H]1CCO[C@H]1C1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1)C(F)(F)F ZINC001170273783 1077925891 /nfs/dbraw/zinc/92/58/91/1077925891.db2.gz RANVJYHUTDOXMG-ZACQAIPSSA-N 1 1 420.859 2.921 20 0 HFADMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000790051341 1077931092 /nfs/dbraw/zinc/93/10/92/1077931092.db2.gz FKLAQVUWZMYPMN-KNQAVFIVSA-N 1 1 414.594 2.524 20 0 HFADMO O=C(CNC(=O)[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1Cl ZINC001170279251 1077935472 /nfs/dbraw/zinc/93/54/72/1077935472.db2.gz WCCDMIUOTNYFRU-OAQYLSRUSA-N 1 1 404.869 2.805 20 0 HFADMO O=C(N1C[C@@H]2CC[N@@H+](Cc3ccn(-c4c(F)cccc4F)n3)C[C@@H]2C1)C(F)(F)F ZINC001170280140 1077936150 /nfs/dbraw/zinc/93/61/50/1077936150.db2.gz BAXMUDNWAQOQCC-QWHCGFSZSA-N 1 1 414.378 2.993 20 0 HFADMO O=C(N1C[C@@H]2CC[N@H+](Cc3ccn(-c4c(F)cccc4F)n3)C[C@@H]2C1)C(F)(F)F ZINC001170280140 1077936155 /nfs/dbraw/zinc/93/61/55/1077936155.db2.gz BAXMUDNWAQOQCC-QWHCGFSZSA-N 1 1 414.378 2.993 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@H](CC[N@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)C1 ZINC001170280834 1077936595 /nfs/dbraw/zinc/93/65/95/1077936595.db2.gz SOBZCAFAOXGTOL-XHSDSOJGSA-N 1 1 419.488 2.976 20 0 HFADMO O=C(N1C[C@@H]2CC[N@@H+](CCCN3CCN(c4ccccc4)CC3)C[C@@H]2C1)C(F)(F)F ZINC001170280614 1077936625 /nfs/dbraw/zinc/93/66/25/1077936625.db2.gz MKVGLGFQHGXGJE-RBUKOAKNSA-N 1 1 424.511 2.541 20 0 HFADMO C[C@@H](Cc1ccccc1Cl)[N@H+]1C[C@@H](NC(=O)c2nccn2C)[C@H]2OCCC[C@H]21 ZINC001170285693 1077937585 /nfs/dbraw/zinc/93/75/85/1077937585.db2.gz UMAAOSXJDMTRSW-JEDBISTDSA-N 1 1 402.926 2.666 20 0 HFADMO CC(C)(C)C(=O)N1CCC[C@@H](C[N@@H+](CCC(N)=O)[C@H]2CCOc3ccccc32)C1 ZINC001170290239 1077938673 /nfs/dbraw/zinc/93/86/73/1077938673.db2.gz IBGHQUBMNBGGIV-HKUYNNGSSA-N 1 1 401.551 2.972 20 0 HFADMO CC(C)(C)C(=O)N1CCC[C@H](C[N@@H+](CCC(N)=O)[C@@H]2CCOc3ccccc32)C1 ZINC001170290240 1077938733 /nfs/dbraw/zinc/93/87/33/1077938733.db2.gz IBGHQUBMNBGGIV-IEBWSBKVSA-N 1 1 401.551 2.972 20 0 HFADMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000790111545 1077940688 /nfs/dbraw/zinc/94/06/88/1077940688.db2.gz UDANTYBKLLRDEJ-UHFFFAOYSA-N 1 1 420.529 2.809 20 0 HFADMO Cc1ccc(N2C[C@H](C(=O)N(C)CC[N@@H+]3CCOC(C)(C)C3)CCC2=O)cc1C ZINC000790129594 1077951363 /nfs/dbraw/zinc/95/13/63/1077951363.db2.gz YAOATAUIAXVTES-LJQANCHMSA-N 1 1 401.551 2.616 20 0 HFADMO Cc1ccc(N2C[C@H](C(=O)N(C)CC[N@H+]3CCOC(C)(C)C3)CCC2=O)cc1C ZINC000790129594 1077951364 /nfs/dbraw/zinc/95/13/64/1077951364.db2.gz YAOATAUIAXVTES-LJQANCHMSA-N 1 1 401.551 2.616 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)C[C@H](C)O1 ZINC000790125965 1077959823 /nfs/dbraw/zinc/95/98/23/1077959823.db2.gz HXWGIYQFEBZKAF-WSTZPKSXSA-N 1 1 419.566 2.863 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)C[C@H](C)O1 ZINC000790125965 1077959824 /nfs/dbraw/zinc/95/98/24/1077959824.db2.gz HXWGIYQFEBZKAF-WSTZPKSXSA-N 1 1 419.566 2.863 20 0 HFADMO Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)[C@H]3CCC(=O)c4ccccc43)CC2)c1 ZINC000792657724 1077960835 /nfs/dbraw/zinc/96/08/35/1077960835.db2.gz JPYJNPBCBQZZBM-QFIPXVFZSA-N 1 1 420.509 2.943 20 0 HFADMO COc1ccc(/C=C\C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)cc1O ZINC000790161907 1077962944 /nfs/dbraw/zinc/96/29/44/1077962944.db2.gz PRXONCHFHFNFLF-VURMDHGXSA-N 1 1 409.446 2.713 20 0 HFADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)CCOc3cccc(C=O)c3)n2)c1C ZINC000790162520 1077963215 /nfs/dbraw/zinc/96/32/15/1077963215.db2.gz RRYUYKSGBCCHIR-UHFFFAOYSA-N 1 1 409.446 2.567 20 0 HFADMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000790170347 1077964475 /nfs/dbraw/zinc/96/44/75/1077964475.db2.gz RZEUCTARCRVCLO-VQIMIIECSA-N 1 1 402.491 2.986 20 0 HFADMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000790170347 1077964479 /nfs/dbraw/zinc/96/44/79/1077964479.db2.gz RZEUCTARCRVCLO-VQIMIIECSA-N 1 1 402.491 2.986 20 0 HFADMO O=C(c1ccc2c(=O)[nH]c(=S)[nH]c2c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792684226 1077965518 /nfs/dbraw/zinc/96/55/18/1077965518.db2.gz ZSJKOUIPTYXRQJ-CALCHBBNSA-N 1 1 406.511 2.828 20 0 HFADMO O=C(c1ccc2c(=O)[nH]c(=S)[nH]c2c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792684226 1077965521 /nfs/dbraw/zinc/96/55/21/1077965521.db2.gz ZSJKOUIPTYXRQJ-CALCHBBNSA-N 1 1 406.511 2.828 20 0 HFADMO COc1cc(C)c([C@@H](C)NC(=O)C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1OC ZINC001170410927 1077966291 /nfs/dbraw/zinc/96/62/91/1077966291.db2.gz IOEOJKXGMOYQAG-SJORKVTESA-N 1 1 419.566 2.803 20 0 HFADMO CCOc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1OC ZINC001170412693 1077967183 /nfs/dbraw/zinc/96/71/83/1077967183.db2.gz SWICTAGDCCOLNQ-IRXDYDNUSA-N 1 1 419.566 2.885 20 0 HFADMO C[C@@H]1CSCC[N@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000792719760 1077974234 /nfs/dbraw/zinc/97/42/34/1077974234.db2.gz JJQOEJYBURPMMW-SJCJKPOMSA-N 1 1 412.353 2.859 20 0 HFADMO C[C@@H]1CSCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000792719760 1077974235 /nfs/dbraw/zinc/97/42/35/1077974235.db2.gz JJQOEJYBURPMMW-SJCJKPOMSA-N 1 1 412.353 2.859 20 0 HFADMO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)NC[C@H](C)Cn2cc[nH+]c2C)cn1 ZINC000790266615 1077990634 /nfs/dbraw/zinc/99/06/34/1077990634.db2.gz HXVQYGNVXRTQGP-PGRDOPGGSA-N 1 1 424.549 2.989 20 0 HFADMO C[N@H+]1CCCN(c2ccc(NC(=O)[C@H]3CCS(=O)(=O)c4ccccc43)cc2)CC1 ZINC000790272348 1077992595 /nfs/dbraw/zinc/99/25/95/1077992595.db2.gz DCGWSGHWYCILIL-FQEVSTJZSA-N 1 1 413.543 2.728 20 0 HFADMO CC(C)(C)OC(=O)N1CCCc2cc(C(=O)NCCC[NH+]3CCOCC3)ccc21 ZINC000792776223 1077998710 /nfs/dbraw/zinc/99/87/10/1077998710.db2.gz OKRMWCNZNQPSSJ-UHFFFAOYSA-N 1 1 403.523 2.826 20 0 HFADMO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CCC[C@@H]2CC(C)(C)C)C1=O ZINC000747087328 1078005270 /nfs/dbraw/zinc/00/52/70/1078005270.db2.gz RNMOZUJUSQKKRE-VGSWGCGISA-N 1 1 400.523 2.776 20 0 HFADMO CCOC1(C(=O)OCC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)CCCC1 ZINC000792826854 1078006728 /nfs/dbraw/zinc/00/67/28/1078006728.db2.gz XXJGGMHTNQKDDG-UHFFFAOYSA-N 1 1 402.535 2.922 20 0 HFADMO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=S)NC[C@H]2CCC[N@H+]2CC)cn1 ZINC000790341776 1078007355 /nfs/dbraw/zinc/00/73/55/1078007355.db2.gz XENQIIDDZXJYED-RTWAWAEBSA-N 1 1 415.607 2.797 20 0 HFADMO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=S)NC[C@H]2CCC[N@H+]2CC)cn1 ZINC000790341775 1078007396 /nfs/dbraw/zinc/00/73/96/1078007396.db2.gz XENQIIDDZXJYED-NHCUHLMSSA-N 1 1 415.607 2.797 20 0 HFADMO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=S)NC[C@@H]2CCC[N@H+]2CC)cn1 ZINC000790341778 1078007404 /nfs/dbraw/zinc/00/74/04/1078007404.db2.gz XENQIIDDZXJYED-SFTDATJTSA-N 1 1 415.607 2.797 20 0 HFADMO CC(C)Oc1ncccc1C(=O)O[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792831239 1078007462 /nfs/dbraw/zinc/00/74/62/1078007462.db2.gz AZVYNZIPCJWDBP-HKUYNNGSSA-N 1 1 411.502 2.805 20 0 HFADMO COc1ccc([C@@H]2C[C@H]2NC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000792831793 1078007926 /nfs/dbraw/zinc/00/79/26/1078007926.db2.gz RRWTVFMZPANRIF-FCHUYYIVSA-N 1 1 412.509 2.812 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000792867213 1078011774 /nfs/dbraw/zinc/01/17/74/1078011774.db2.gz MLHXFWNFNBYHCP-RCCFBDPRSA-N 1 1 400.585 2.923 20 0 HFADMO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC(Oc3ccc(F)nc3)CC2)[C@@H](C)C1 ZINC000790377157 1078018299 /nfs/dbraw/zinc/01/82/99/1078018299.db2.gz WPZICWPRDRWGLF-PXNSSMCTSA-N 1 1 422.545 2.911 20 0 HFADMO C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3c4nc(N5CCC[C@@H](C)C5)ncc4CS(=O)(=O)[C@@H]3C2)C1 ZINC001170135114 1078021776 /nfs/dbraw/zinc/02/17/76/1078021776.db2.gz GLGGZWOAVLKXDT-SIZVQLJJSA-N 1 1 404.580 2.598 20 0 HFADMO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792914635 1078024444 /nfs/dbraw/zinc/02/44/44/1078024444.db2.gz QQAGBGBOWSVYDJ-TXPKVOOTSA-N 1 1 411.329 2.629 20 0 HFADMO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792914635 1078024448 /nfs/dbraw/zinc/02/44/48/1078024448.db2.gz QQAGBGBOWSVYDJ-TXPKVOOTSA-N 1 1 411.329 2.629 20 0 HFADMO CC(C)[C@H](CNC(=O)[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1)[NH+]1CCOCC1 ZINC000792918741 1078025814 /nfs/dbraw/zinc/02/58/14/1078025814.db2.gz XAORSYVLYFMPOU-REWPJTCUSA-N 1 1 417.550 2.508 20 0 HFADMO COC(=O)c1c2cnn(C[N@H+]3CC[C@H](c4nccn4C)C3)c2ccc1Br ZINC000790443631 1078033564 /nfs/dbraw/zinc/03/35/64/1078033564.db2.gz YOCHMBZJEKOFPJ-LBPRGKRZSA-N 1 1 418.295 2.766 20 0 HFADMO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)nc1Br ZINC000792952951 1078034238 /nfs/dbraw/zinc/03/42/38/1078034238.db2.gz LMZIESJRNMPLMZ-GFCCVEGCSA-N 1 1 411.325 2.572 20 0 HFADMO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(Br)n2)[NH+]2CCCC2)o1 ZINC000792970351 1078039373 /nfs/dbraw/zinc/03/93/73/1078039373.db2.gz BKCFUNFUWJFAFZ-CYBMUJFWSA-N 1 1 421.295 2.637 20 0 HFADMO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000792988552 1078041662 /nfs/dbraw/zinc/04/16/62/1078041662.db2.gz FCIDNFLJCSEHFM-HOJAQTOUSA-N 1 1 414.550 2.960 20 0 HFADMO COc1ccc(CN(CCc2ccccn2)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000792990174 1078042288 /nfs/dbraw/zinc/04/22/88/1078042288.db2.gz QEAPOAOHVHUYGV-FYYLOGMGSA-N 1 1 424.545 2.708 20 0 HFADMO CCc1ccc([C@H](O)CNC(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000806309016 1079561961 /nfs/dbraw/zinc/56/19/61/1079561961.db2.gz LRUUNQRTXBUARC-WOJBJXKFSA-N 1 1 416.591 2.632 20 0 HFADMO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000806309397 1079564070 /nfs/dbraw/zinc/56/40/70/1079564070.db2.gz FBOZWUWSVDPPPQ-UXHICEINSA-N 1 1 402.539 2.961 20 0 HFADMO CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000747318779 1079574639 /nfs/dbraw/zinc/57/46/39/1079574639.db2.gz CKASSUWCRFMBOO-IBGZPJMESA-N 1 1 419.566 2.897 20 0 HFADMO CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000747318779 1079574646 /nfs/dbraw/zinc/57/46/46/1079574646.db2.gz CKASSUWCRFMBOO-IBGZPJMESA-N 1 1 419.566 2.897 20 0 HFADMO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)CCC2 ZINC000806298152 1079585915 /nfs/dbraw/zinc/58/59/15/1079585915.db2.gz ZCPWEVFOCRKJGT-IBGZPJMESA-N 1 1 403.571 2.536 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000806354689 1079589124 /nfs/dbraw/zinc/58/91/24/1079589124.db2.gz HNPPIUBELQNORW-BZSNNMDCSA-N 1 1 412.575 2.527 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000806354694 1079589252 /nfs/dbraw/zinc/58/92/52/1079589252.db2.gz HNPPIUBELQNORW-KURKYZTESA-N 1 1 412.575 2.527 20 0 HFADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000747325888 1079594757 /nfs/dbraw/zinc/59/47/57/1079594757.db2.gz QXULJQJGFYFOTG-UXHICEINSA-N 1 1 403.486 2.527 20 0 HFADMO Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)c12 ZINC000747325555 1079598175 /nfs/dbraw/zinc/59/81/75/1079598175.db2.gz NBYZBFJHEGISPU-GJZGRUSLSA-N 1 1 411.531 2.598 20 0 HFADMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000806423743 1079668362 /nfs/dbraw/zinc/66/83/62/1079668362.db2.gz CZAXKPORRNPLHE-NHCUHLMSSA-N 1 1 411.933 2.704 20 0 HFADMO C[C@@H](CNC(=O)N1CCCC[C@@H]1COC(=O)N(C)C)[N@H+]1CCc2ccccc2C1 ZINC000806434951 1079681337 /nfs/dbraw/zinc/68/13/37/1079681337.db2.gz ZDEMMFXZRLWCPN-FXAWDEMLSA-N 1 1 402.539 2.696 20 0 HFADMO C[C@H](NC(=O)N(C)CCC[N@@H+](C)Cc1ccco1)c1cccc(NS(C)(=O)=O)c1 ZINC000806472818 1079704080 /nfs/dbraw/zinc/70/40/80/1079704080.db2.gz MSSZMBCRMDNHIK-INIZCTEOSA-N 1 1 422.551 2.876 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3cnc(C4OCCO4)s3)cc2)C[C@H](C)O1 ZINC000806442055 1079711030 /nfs/dbraw/zinc/71/10/30/1079711030.db2.gz JFRPIZZTMWKHLM-GASCZTMLSA-N 1 1 417.531 2.728 20 0 HFADMO Cc1ccc2[nH]c(CNC(=O)C(=O)NC[C@@]3(C)CC[N@@H+](Cc4ccccc4)C3)nc2c1 ZINC000806494814 1079746338 /nfs/dbraw/zinc/74/63/38/1079746338.db2.gz WXDOFARZKWUPKC-XMMPIXPASA-N 1 1 419.529 2.516 20 0 HFADMO Cc1ccc2nc(CNC(=O)C(=O)NC[C@@]3(C)CC[N@H+](Cc4ccccc4)C3)[nH]c2c1 ZINC000806494814 1079746343 /nfs/dbraw/zinc/74/63/43/1079746343.db2.gz WXDOFARZKWUPKC-XMMPIXPASA-N 1 1 419.529 2.516 20 0 HFADMO Cc1ccc2nc(CNC(=O)C(=O)NC[C@@]3(C)CC[N@@H+](Cc4ccccc4)C3)[nH]c2c1 ZINC000806494814 1079746349 /nfs/dbraw/zinc/74/63/49/1079746349.db2.gz WXDOFARZKWUPKC-XMMPIXPASA-N 1 1 419.529 2.516 20 0 HFADMO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCS(=O)(=O)Cc1ccccc1)[NH+](C)C ZINC000806538653 1079777497 /nfs/dbraw/zinc/77/74/97/1079777497.db2.gz OXSXVZLZOHTVPI-RXVVDRJESA-N 1 1 417.575 2.900 20 0 HFADMO COC1CCC(CCNC(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000806541415 1079777896 /nfs/dbraw/zinc/77/78/96/1079777896.db2.gz SERKIXNNGRLWJO-HQOBLLPJSA-N 1 1 415.578 2.726 20 0 HFADMO O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)[C@@H]1CCCC12OCCO2 ZINC000806605129 1079846963 /nfs/dbraw/zinc/84/69/63/1079846963.db2.gz OEZYXQLVSOSTIK-KRWDZBQOSA-N 1 1 407.942 2.512 20 0 HFADMO COc1cccc(C[N@H+]2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)n1 ZINC001137530957 1079853864 /nfs/dbraw/zinc/85/38/64/1079853864.db2.gz HGFQOGAXLRHEFS-QFIPXVFZSA-N 1 1 400.523 2.810 20 0 HFADMO COc1cccc(CN2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001137530957 1079853875 /nfs/dbraw/zinc/85/38/75/1079853875.db2.gz HGFQOGAXLRHEFS-QFIPXVFZSA-N 1 1 400.523 2.810 20 0 HFADMO COc1cccc(CN2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001137530957 1079853880 /nfs/dbraw/zinc/85/38/80/1079853880.db2.gz HGFQOGAXLRHEFS-QFIPXVFZSA-N 1 1 400.523 2.810 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000747341322 1079878643 /nfs/dbraw/zinc/87/86/43/1079878643.db2.gz FLLXIEAKPZAPQL-PWRODBHTSA-N 1 1 421.541 2.671 20 0 HFADMO Cc1cc(I)cc(NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000806684175 1079912356 /nfs/dbraw/zinc/91/23/56/1079912356.db2.gz RPVCOTYZZDVPQB-GJZGRUSLSA-N 1 1 415.275 2.584 20 0 HFADMO CN(C(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000806727169 1079950745 /nfs/dbraw/zinc/95/07/45/1079950745.db2.gz BKABKVFIEKUNRZ-QFIPXVFZSA-N 1 1 423.557 2.653 20 0 HFADMO COc1cccc(OCCC(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001130732706 1079969900 /nfs/dbraw/zinc/96/99/00/1079969900.db2.gz BBLPISLTHZSYNQ-DHIUTWEWSA-N 1 1 410.514 2.966 20 0 HFADMO CCOC(=O)c1ccc(C(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)nc1C ZINC001130733424 1079972659 /nfs/dbraw/zinc/97/26/59/1079972659.db2.gz QFBLAZFAWSYDQT-VXKWHMMOSA-N 1 1 423.513 2.682 20 0 HFADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CCCN2C(=O)C(F)(F)F)CC1 ZINC000806764752 1079982905 /nfs/dbraw/zinc/98/29/05/1079982905.db2.gz MBRYYWXUXBDNPW-GOSISDBHSA-N 1 1 411.468 2.910 20 0 HFADMO Cc1ccc2nc(C(=O)Nc3ccc(OCCC[NH+]4CCN(C)CC4)cc3)cn2c1 ZINC001130741720 1080004668 /nfs/dbraw/zinc/00/46/68/1080004668.db2.gz CEZKGJZKSCEFHD-UHFFFAOYSA-N 1 1 407.518 2.911 20 0 HFADMO CN1CC[NH+](CCCOc2ccc(NC(=O)c3ncnc4ccsc43)cc2)CC1 ZINC001130742090 1080005213 /nfs/dbraw/zinc/00/52/13/1080005213.db2.gz IDCDBJWHRSNWSQ-UHFFFAOYSA-N 1 1 411.531 2.960 20 0 HFADMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@]3(C)CC(c4ccccc4Cl)=NO3)C2)CC1 ZINC000806844815 1080030177 /nfs/dbraw/zinc/03/01/77/1080030177.db2.gz VJCUWKCJYPNZJE-VFNWGFHPSA-N 1 1 404.942 2.508 20 0 HFADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@]3(C)CC(c4ccccc4Cl)=NO3)C2)CC1 ZINC000806844815 1080030191 /nfs/dbraw/zinc/03/01/91/1080030191.db2.gz VJCUWKCJYPNZJE-VFNWGFHPSA-N 1 1 404.942 2.508 20 0 HFADMO COc1ccc2cc(NC(=O)C(=O)NCC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)ccc2c1 ZINC000806832422 1080045872 /nfs/dbraw/zinc/04/58/72/1080045872.db2.gz OKLXXFVPYAYKSA-HZPDHXFCSA-N 1 1 413.518 2.791 20 0 HFADMO CN(C(=O)C(=O)Nc1cccc(C(C)(C)O)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000806924322 1080092909 /nfs/dbraw/zinc/09/29/09/1080092909.db2.gz GNZGKIVBNYPVRE-NRFANRHFSA-N 1 1 409.530 2.976 20 0 HFADMO CN(C)c1[nH+]cc(CNC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)n1C ZINC000806928175 1080096595 /nfs/dbraw/zinc/09/65/95/1080096595.db2.gz GUMGPBVFUHBOEK-OAQYLSRUSA-N 1 1 407.518 2.932 20 0 HFADMO C[C@@H](NC(=O)C(=O)Nc1cccc(C(C)(C)O)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000806964928 1080131764 /nfs/dbraw/zinc/13/17/64/1080131764.db2.gz HNGGZFMHVSEXHV-IEBWSBKVSA-N 1 1 409.530 2.879 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806935359 1080143109 /nfs/dbraw/zinc/14/31/09/1080143109.db2.gz XIJGVYRBHDFNQJ-UTKZUKDTSA-N 1 1 409.530 2.879 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000806953774 1080163879 /nfs/dbraw/zinc/16/38/79/1080163879.db2.gz JNHGAPCYADPTEQ-ALKREAHSSA-N 1 1 413.440 2.786 20 0 HFADMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc(C(N)=O)c(Cl)n3)cc2)C1 ZINC000806978750 1080188378 /nfs/dbraw/zinc/18/83/78/1080188378.db2.gz GKHMPUYEVFBJCR-ZDUSSCGKSA-N 1 1 402.882 2.807 20 0 HFADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)Cc3ccc(C)nc3Cl)C2)cc(OC)c1 ZINC000807039363 1080229501 /nfs/dbraw/zinc/22/95/01/1080229501.db2.gz HXUHTLTYTIXWGW-KRWDZBQOSA-N 1 1 403.910 2.994 20 0 HFADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)Cc3ccc(C)nc3Cl)C2)cc(OC)c1 ZINC000807039363 1080229509 /nfs/dbraw/zinc/22/95/09/1080229509.db2.gz HXUHTLTYTIXWGW-KRWDZBQOSA-N 1 1 403.910 2.994 20 0 HFADMO CS(=O)(=O)CCOc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000747373878 1080264311 /nfs/dbraw/zinc/26/43/11/1080264311.db2.gz BFOUHSMMAULJKU-HXUWFJFHSA-N 1 1 420.506 2.852 20 0 HFADMO CS(=O)(=O)CCOc1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000747373878 1080264315 /nfs/dbraw/zinc/26/43/15/1080264315.db2.gz BFOUHSMMAULJKU-HXUWFJFHSA-N 1 1 420.506 2.852 20 0 HFADMO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000807091007 1080269307 /nfs/dbraw/zinc/26/93/07/1080269307.db2.gz FHKPCZINZHXQQL-SFHVURJKSA-N 1 1 403.527 2.800 20 0 HFADMO CNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000807148318 1080304856 /nfs/dbraw/zinc/30/48/56/1080304856.db2.gz VIOYZLUQMVEYEF-WOJBJXKFSA-N 1 1 402.539 2.817 20 0 HFADMO CC1(C)CN(C(=O)N[C@H]2CCOc3c(Cl)c(Cl)ccc32)CC[N@H+]1CCO ZINC000807174472 1080328979 /nfs/dbraw/zinc/32/89/79/1080328979.db2.gz LNOAQYFKMTVSLX-AWEZNQCLSA-N 1 1 402.322 2.915 20 0 HFADMO C[C@H](NC(=O)NCCS(=O)(=O)CCc1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000807211077 1080359075 /nfs/dbraw/zinc/35/90/75/1080359075.db2.gz HYIDBLGZMHGGPS-RXVVDRJESA-N 1 1 417.575 2.635 20 0 HFADMO COc1ccc(C2=NO[C@H](CNC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)cc1F ZINC000807212955 1080361347 /nfs/dbraw/zinc/36/13/47/1080361347.db2.gz BMFDGHPPGNBSRB-WFVVYAPDSA-N 1 1 404.486 2.594 20 0 HFADMO C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)CCCO1 ZINC000807181099 1080373561 /nfs/dbraw/zinc/37/35/61/1080373561.db2.gz NVSPEQATKOPFOI-RHSMWYFYSA-N 1 1 403.445 2.539 20 0 HFADMO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)CCCO1 ZINC000807180694 1080373704 /nfs/dbraw/zinc/37/37/04/1080373704.db2.gz LGORAJAEAURDSD-QUCCMNQESA-N 1 1 424.586 2.720 20 0 HFADMO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000807187511 1080381218 /nfs/dbraw/zinc/38/12/18/1080381218.db2.gz DRDKNFBIQKXVAS-PMACEKPBSA-N 1 1 402.539 2.771 20 0 HFADMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)c2cnc(C3OCCO3)s2)C1 ZINC000807225654 1080385424 /nfs/dbraw/zinc/38/54/24/1080385424.db2.gz HHTXIWJNKXQUTM-UHFFFAOYSA-N 1 1 403.504 2.570 20 0 HFADMO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1nc(Br)sc1C1CC1 ZINC000807265317 1080417590 /nfs/dbraw/zinc/41/75/90/1080417590.db2.gz YJQRXMITNDYLSG-NSHDSACASA-N 1 1 401.374 2.539 20 0 HFADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)[C@H](C)C1 ZINC000807318856 1080512536 /nfs/dbraw/zinc/51/25/36/1080512536.db2.gz LJKVQXFXZSFVLH-CYBMUJFWSA-N 1 1 408.474 2.664 20 0 HFADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)[C@H](C)C1 ZINC000807318856 1080512544 /nfs/dbraw/zinc/51/25/44/1080512544.db2.gz LJKVQXFXZSFVLH-CYBMUJFWSA-N 1 1 408.474 2.664 20 0 HFADMO Cc1cc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1N1CCSCC1 ZINC000807358232 1080519612 /nfs/dbraw/zinc/51/96/12/1080519612.db2.gz SJCWHHVUBMQLBB-DFNIBXOVSA-N 1 1 416.591 2.570 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000807394438 1080561520 /nfs/dbraw/zinc/56/15/20/1080561520.db2.gz NISJGHORBAXSOJ-SFHVURJKSA-N 1 1 418.538 2.640 20 0 HFADMO Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC000807385028 1080580018 /nfs/dbraw/zinc/58/00/18/1080580018.db2.gz YZVUCCBSEXWXHG-NRFANRHFSA-N 1 1 411.550 2.524 20 0 HFADMO CCOC(=O)C1=C(Nc2cnc3c(c2)OCC(=O)N3)CC[N@@H+](Cc2ccccc2)C1 ZINC001170522643 1080581999 /nfs/dbraw/zinc/58/19/99/1080581999.db2.gz ONLWLICEGITECS-UHFFFAOYSA-N 1 1 408.458 2.548 20 0 HFADMO CCOC(=O)C1C[N@H+](Cc2ccccc2)CCC1=Nc1cnc2c(c1)OCC(=O)N2 ZINC001170522643 1080582006 /nfs/dbraw/zinc/58/20/06/1080582006.db2.gz ONLWLICEGITECS-UHFFFAOYSA-N 1 1 408.458 2.548 20 0 HFADMO CCOC(=O)C1C[N@@H+](Cc2ccccc2)CCC1=Nc1cnc2c(c1)OCC(=O)N2 ZINC001170522643 1080582014 /nfs/dbraw/zinc/58/20/14/1080582014.db2.gz ONLWLICEGITECS-UHFFFAOYSA-N 1 1 408.458 2.548 20 0 HFADMO C[C@]1(CNC(=O)C(=O)N[C@H](CCCO)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000807431467 1080591858 /nfs/dbraw/zinc/59/18/58/1080591858.db2.gz DBMOODHJEAMLHK-RCZVLFRGSA-N 1 1 423.557 2.645 20 0 HFADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000807413805 1080612394 /nfs/dbraw/zinc/61/23/94/1080612394.db2.gz WHIRFUIGERDKIL-UHFFFAOYSA-N 1 1 419.350 2.894 20 0 HFADMO CCCCn1nccc1NC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000807470618 1080651405 /nfs/dbraw/zinc/65/14/05/1080651405.db2.gz RVRDEIGNZHQEJE-UHFFFAOYSA-N 1 1 418.929 2.666 20 0 HFADMO COC(=O)Nc1cccc(CNC(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000807491422 1080679436 /nfs/dbraw/zinc/67/94/36/1080679436.db2.gz NXNYGYADNVPPHD-TXPKVOOTSA-N 1 1 404.511 2.648 20 0 HFADMO CCN(C(=O)C(=O)NCC[C@](C)(O)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000807502146 1080700055 /nfs/dbraw/zinc/70/00/55/1080700055.db2.gz ZEGATIFBBOVFON-RDGATRHJSA-N 1 1 423.557 2.523 20 0 HFADMO COC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000807543258 1080758061 /nfs/dbraw/zinc/75/80/61/1080758061.db2.gz DMERBEGWZHKEIH-BEFAXECRSA-N 1 1 410.474 2.583 20 0 HFADMO CCCOC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000807543974 1080759773 /nfs/dbraw/zinc/75/97/73/1080759773.db2.gz PEMTXFOYQOQRSZ-UTKZUKDTSA-N 1 1 423.513 2.971 20 0 HFADMO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cn2)C[C@H]1c1ccc(O)cc1 ZINC001170526949 1080764471 /nfs/dbraw/zinc/76/44/71/1080764471.db2.gz ACLJLCNQKUMKPH-AFAVFJNCSA-N 1 1 403.866 2.656 20 0 HFADMO COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cn2)C[C@H]1c1ccc(O)cc1 ZINC001170526949 1080764482 /nfs/dbraw/zinc/76/44/82/1080764482.db2.gz ACLJLCNQKUMKPH-AFAVFJNCSA-N 1 1 403.866 2.656 20 0 HFADMO CN(OCc1ccccc1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000807582525 1080793584 /nfs/dbraw/zinc/79/35/84/1080793584.db2.gz ORIFYPLNVACHLS-HKUYNNGSSA-N 1 1 401.532 2.837 20 0 HFADMO C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H](c3ccccn3)C2)[C@@H]1c1cccs1 ZINC000807582907 1080795083 /nfs/dbraw/zinc/79/50/83/1080795083.db2.gz WJQAYDHRKQPCDQ-FUHIMQAGSA-N 1 1 412.559 2.658 20 0 HFADMO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)s1 ZINC001308038104 1126162505 /nfs/dbraw/zinc/16/25/05/1126162505.db2.gz IGIDXZWVGZEEIX-GDBMZVCRSA-N 1 1 422.494 2.623 20 0 HFADMO CCOC(=O)c1c(C)oc2nc(C[NH2+][C@](C)(CO)Cc3ccc(F)cc3)nc(N)c21 ZINC001560183410 1126209003 /nfs/dbraw/zinc/20/90/03/1126209003.db2.gz OQHLOGMNXMJGDP-NRFANRHFSA-N 1 1 416.453 2.513 20 0 HFADMO Cc1[nH+]cc2n1CCN([C@]1(F)CN(C3CCCC3)c3nc(Cl)ncc3NC1=O)C2 ZINC001164441348 718990990 /nfs/dbraw/zinc/99/09/90/718990990.db2.gz ZESDNWLWHQLQEF-LJQANCHMSA-N 1 1 419.892 2.518 20 0 HFADMO CS(=O)(=O)c1nc(Cl)cc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164626951 719052193 /nfs/dbraw/zinc/05/21/93/719052193.db2.gz SJYVWJFCLPDACA-JKSUJKDBSA-N 1 1 406.939 2.634 20 0 HFADMO CN1c2cnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc2N2CCC[C@H]2C1=O ZINC001164629499 719080031 /nfs/dbraw/zinc/08/00/31/719080031.db2.gz XUAFIUHDNIHGSG-ZJOUEHCJSA-N 1 1 418.545 2.523 20 0 HFADMO O=S(=O)(NC1CC1)c1ccc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001164630932 719099741 /nfs/dbraw/zinc/09/97/41/719099741.db2.gz XRMXOGHILRJINI-WIYYLYMNSA-N 1 1 412.559 2.623 20 0 HFADMO COc1nc(-c2ccccc2)nc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)n1 ZINC001164648325 719312400 /nfs/dbraw/zinc/31/24/00/719312400.db2.gz HYFBFSIEGRAALM-UHFFFAOYSA-N 1 1 407.522 2.949 20 0 HFADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)CC2 ZINC001164653578 719315450 /nfs/dbraw/zinc/31/54/50/719315450.db2.gz WMULERZUOYRTCE-UHFFFAOYSA-N 1 1 424.887 2.905 20 0 HFADMO COc1cc2c(cc1OCc1ccccc1)ncnc2N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC001164671338 719378619 /nfs/dbraw/zinc/37/86/19/719378619.db2.gz WXMMVZQYHSTSMQ-KNQAVFIVSA-N 1 1 406.486 2.737 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncnc3[nH]c4ccc(Cl)cc4c31)CC2 ZINC001164687410 719736676 /nfs/dbraw/zinc/73/66/76/719736676.db2.gz WUMVAXCFOWKNPM-UHFFFAOYSA-N 1 1 412.925 2.945 20 0 HFADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C)cc4c2C(=O)NC4=O)CC3)cs1 ZINC001164691575 719813521 /nfs/dbraw/zinc/81/35/21/719813521.db2.gz HUUHEHDQTJYOPO-UHFFFAOYSA-N 1 1 411.531 2.674 20 0 HFADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc2c(Cl)ccnc21 ZINC001164707008 719843740 /nfs/dbraw/zinc/84/37/40/719843740.db2.gz YUYCUMXRQBVJMT-JLTOFOAXSA-N 1 1 404.898 2.516 20 0 HFADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)nc2cc(Cl)ccc21 ZINC001164700998 719855465 /nfs/dbraw/zinc/85/54/65/719855465.db2.gz IZXFBRWEUASULX-HRAATJIYSA-N 1 1 418.925 2.824 20 0 HFADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C(F)F)nc2ccccc21 ZINC001164702283 719871857 /nfs/dbraw/zinc/87/18/57/719871857.db2.gz HXHDXVONDSNJON-SZNDQCEHSA-N 1 1 420.460 2.800 20 0 HFADMO C[C@H]1CC(=O)Nc2ncnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c21 ZINC001164697084 719892632 /nfs/dbraw/zinc/89/26/32/719892632.db2.gz JMLQBDILSDMMOE-HNNXBMFYSA-N 1 1 413.547 2.855 20 0 HFADMO c1csc(CN2CCOC3(CCN(c4nccc(C5CC[NH2+]CC5)n4)CC3)C2)c1 ZINC001164699114 719895995 /nfs/dbraw/zinc/89/59/95/719895995.db2.gz XGHWSBVGZSEKPT-UHFFFAOYSA-N 1 1 413.591 2.877 20 0 HFADMO CC1(C)C(=O)Nc2ncnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c21 ZINC001164696725 719897184 /nfs/dbraw/zinc/89/71/84/719897184.db2.gz HZWWXCVTLMFFER-UHFFFAOYSA-N 1 1 413.547 2.639 20 0 HFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(NC3CC3)n1)CC2 ZINC001164712005 720093326 /nfs/dbraw/zinc/09/33/26/720093326.db2.gz TWLNWKGKGWXSIE-HXUWFJFHSA-N 1 1 408.550 2.953 20 0 HFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(OC)ncc1F)CC2 ZINC001164719089 720115526 /nfs/dbraw/zinc/11/55/26/720115526.db2.gz VTYCNVSFMPOOOZ-QGZVFWFLSA-N 1 1 401.486 2.527 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C(=O)N(C)OC)cc(Cl)n1)C2 ZINC001164816504 720121124 /nfs/dbraw/zinc/12/11/24/720121124.db2.gz ZKCLMNSIXAOWGV-UWJYYQICSA-N 1 1 422.957 2.553 20 0 HFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cncc(-n3ccnc3)n1)CC2 ZINC001164710848 720130292 /nfs/dbraw/zinc/13/02/92/720130292.db2.gz DULMNFQJQBQOBW-FQEVSTJZSA-N 1 1 419.533 2.565 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cccc(SCC(=O)OC)n1)C2 ZINC001164816055 720152129 /nfs/dbraw/zinc/15/21/29/720152129.db2.gz KBHKOYROFDOTJZ-DYESRHJHSA-N 1 1 405.564 2.531 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)COc1ccc(Cl)nn1)C2 ZINC001164819012 720169713 /nfs/dbraw/zinc/16/97/13/720169713.db2.gz VFLCXTVLVARAOL-MAUKXSAKSA-N 1 1 416.900 2.782 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nnc1OC)C2 ZINC001164811413 720200587 /nfs/dbraw/zinc/20/05/87/720200587.db2.gz HEEVJYMACMBBRA-KSSFIOAISA-N 1 1 416.900 2.868 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(OC)nc(Cl)n1)C2 ZINC001164812885 720201500 /nfs/dbraw/zinc/20/15/00/720201500.db2.gz MTEYCMPQSJRFQB-KSSFIOAISA-N 1 1 416.900 2.868 20 0 HFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccc3c4c([nH]c31)CCC4)CCC2 ZINC001164817050 720244467 /nfs/dbraw/zinc/24/44/67/720244467.db2.gz OJTKHGWVSHBXIQ-UHFFFAOYSA-N 1 1 406.534 2.859 20 0 HFADMO CSc1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc(SC)n1 ZINC001164816737 720245994 /nfs/dbraw/zinc/24/59/94/720245994.db2.gz LTALOYCHZKWHHY-UHFFFAOYSA-N 1 1 420.608 2.728 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc4cc(F)c(Cl)cc43)C2)C1 ZINC001164722221 720303353 /nfs/dbraw/zinc/30/33/53/720303353.db2.gz JNOREMBZUUXSBK-OAQYLSRUSA-N 1 1 420.916 2.692 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc4cc(F)c(Cl)cc43)C2)C1 ZINC001164722221 720303358 /nfs/dbraw/zinc/30/33/58/720303358.db2.gz JNOREMBZUUXSBK-OAQYLSRUSA-N 1 1 420.916 2.692 20 0 HFADMO COC(=O)c1cc2c(OC)[nH]c(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)cc-2n1 ZINC001164731047 720378970 /nfs/dbraw/zinc/37/89/70/720378970.db2.gz YKQPFASDHFQXOC-MOPGFXCFSA-N 1 1 407.474 2.606 20 0 HFADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)[nH]1 ZINC001164724726 720402857 /nfs/dbraw/zinc/40/28/57/720402857.db2.gz LHAHQPMARHJKAL-CVEARBPZSA-N 1 1 412.881 2.646 20 0 HFADMO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731550 720482995 /nfs/dbraw/zinc/48/29/95/720482995.db2.gz WKTIRMRBEWZHIK-BMFZPTHFSA-N 1 1 401.898 2.655 20 0 HFADMO CCOC(=O)c1ccnc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1C(=O)OCC ZINC001164722469 720485254 /nfs/dbraw/zinc/48/52/54/720485254.db2.gz AUGNSJSYWYUDOC-OALUTQOASA-N 1 1 424.501 2.683 20 0 HFADMO C[N@@H+](Cc1ccc(N2CC[C@H]3OCC[C@]3(C(=O)Nc3cccnc3)C2)nc1)C1CC1 ZINC001164727612 720503086 /nfs/dbraw/zinc/50/30/86/720503086.db2.gz NOYXLQAYKTWENL-OFNKIYASSA-N 1 1 407.518 2.695 20 0 HFADMO COC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(F)c1 ZINC001164839305 720533553 /nfs/dbraw/zinc/53/35/53/720533553.db2.gz QDYJJQQRFZEJEA-ZHALLVOQSA-N 1 1 401.486 2.582 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)cc(N(C)C)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833608 720551751 /nfs/dbraw/zinc/55/17/51/720551751.db2.gz APCPKJJISSTEDQ-IXDOHACOSA-N 1 1 403.962 2.770 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)cc(N(C)C)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833610 720552777 /nfs/dbraw/zinc/55/27/77/720552777.db2.gz APCPKJJISSTEDQ-YESZJQIVSA-N 1 1 403.962 2.770 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(C(=O)N4CCCC4)ccn3)CC[C@@H]21 ZINC001164833833 720574422 /nfs/dbraw/zinc/57/44/22/720574422.db2.gz BTORALOVVSVSDL-FKBYEOEOSA-N 1 1 422.577 2.892 20 0 HFADMO Fc1cc2nc(Cl)c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2cc1F ZINC001164737767 720676211 /nfs/dbraw/zinc/67/62/11/720676211.db2.gz GWOLGSYQEWKKBH-NWDGAFQWSA-N 1 1 418.835 2.693 20 0 HFADMO CSc1nc2ccsc2c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164738456 720684206 /nfs/dbraw/zinc/68/42/06/720684206.db2.gz JVDZUPPROAUPRS-OLZOCXBDSA-N 1 1 400.533 2.545 20 0 HFADMO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742039 720697256 /nfs/dbraw/zinc/69/72/56/720697256.db2.gz VMOJGFPXNXVFEB-OLZOCXBDSA-N 1 1 420.851 2.893 20 0 HFADMO CCOC(=O)Cc1ccc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nn1 ZINC001164839348 720702956 /nfs/dbraw/zinc/70/29/56/720702956.db2.gz LJCPYQWYYLZFCB-OAQYLSRUSA-N 1 1 424.545 2.842 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cncc(-n3ccnc3)n1)CC2 ZINC001164839886 720703804 /nfs/dbraw/zinc/70/38/04/720703804.db2.gz OBJRRGBKEYQALA-HXUWFJFHSA-N 1 1 404.518 2.922 20 0 HFADMO COCCOc1ccc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nn1 ZINC001164842364 720715783 /nfs/dbraw/zinc/71/57/83/720715783.db2.gz YSWDSEMNTLYMHH-HXUWFJFHSA-N 1 1 412.534 2.762 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(C(=O)NC3CC3)nn1)CC2 ZINC001164839891 720719189 /nfs/dbraw/zinc/71/91/89/720719189.db2.gz OEIIIFMRLSORHK-FQEVSTJZSA-N 1 1 421.545 2.629 20 0 HFADMO c1ccc(COc2cccnc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164746930 720755754 /nfs/dbraw/zinc/75/57/54/720755754.db2.gz YYPSTFKIQMCJKA-VQTJNVASSA-N 1 1 403.486 2.793 20 0 HFADMO Cc1c(Cl)nc(CC(C)C)nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164751212 720801146 /nfs/dbraw/zinc/80/11/46/720801146.db2.gz XLOBUQXKEAQENY-JKSUJKDBSA-N 1 1 402.930 2.769 20 0 HFADMO Cc1cnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1-c1ccccc1F ZINC001164745511 720802123 /nfs/dbraw/zinc/80/21/23/720802123.db2.gz KQUUANLJUXOCEE-IAGOWNOFSA-N 1 1 406.465 2.723 20 0 HFADMO Cc1nc2sccc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164743399 720808504 /nfs/dbraw/zinc/80/85/04/720808504.db2.gz FWJLULJXGUITAL-JENIJYKNSA-N 1 1 409.563 2.971 20 0 HFADMO CCOC(=O)c1ccc(C)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164749804 720808816 /nfs/dbraw/zinc/80/88/16/720808816.db2.gz UOGNWOKMOPAPEB-SVFBPWRDSA-N 1 1 424.549 2.538 20 0 HFADMO CCOC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1C ZINC001164743371 720809676 /nfs/dbraw/zinc/80/96/76/720809676.db2.gz FQUFLADRYJMKPI-SVFBPWRDSA-N 1 1 424.549 2.538 20 0 HFADMO Clc1cnc(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748711 720812552 /nfs/dbraw/zinc/81/25/52/720812552.db2.gz RBUAZIIROLQEEL-IJEWVQPXSA-N 1 1 408.337 2.754 20 0 HFADMO Clc1cnc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748712 720812730 /nfs/dbraw/zinc/81/27/30/720812730.db2.gz RBUAZIIROLQEEL-OFQRWUPVSA-N 1 1 408.337 2.754 20 0 HFADMO CCc1ncnc(Cl)c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748762 720814623 /nfs/dbraw/zinc/81/46/23/720814623.db2.gz RIZNHILDEWYTSF-LZLYRXPVSA-N 1 1 401.946 2.663 20 0 HFADMO Clc1nnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2cnccc12 ZINC001164745591 720814916 /nfs/dbraw/zinc/81/49/16/720814916.db2.gz WYUPPMUIYBYVED-GPMSIDNRSA-N 1 1 424.940 2.649 20 0 HFADMO Clc1nnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2cnccc12 ZINC001164745592 720815051 /nfs/dbraw/zinc/81/50/51/720815051.db2.gz WYUPPMUIYBYVED-JTDSTZFVSA-N 1 1 424.940 2.649 20 0 HFADMO Clc1ccc2c(ncnc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164742100 720816402 /nfs/dbraw/zinc/81/64/02/720816402.db2.gz PUBJANSCYPEJBY-SOLBZPMBSA-N 1 1 424.940 2.649 20 0 HFADMO FC(F)(c1cnc(Cl)nc1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738411 720816655 /nfs/dbraw/zinc/81/66/55/720816655.db2.gz FQDRBGSIONQAFM-BHYGNILZSA-N 1 1 423.899 2.646 20 0 HFADMO COc1ccc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164739752 720817811 /nfs/dbraw/zinc/81/78/11/720817811.db2.gz IHVDUJRMJYNUOW-KGVIQGDOSA-N 1 1 419.533 2.609 20 0 HFADMO Cc1cccc2ncc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc12 ZINC001164738764 720824453 /nfs/dbraw/zinc/82/44/53/720824453.db2.gz GGTDXCMYRRTPDY-SFHLNBCPSA-N 1 1 403.534 2.909 20 0 HFADMO Cc1nc(C)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164742785 720824514 /nfs/dbraw/zinc/82/45/14/720824514.db2.gz QWRZMLKHOWPCRP-OKZBNKHCSA-N 1 1 401.946 2.718 20 0 HFADMO COc1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164738363 720825225 /nfs/dbraw/zinc/82/52/25/720825225.db2.gz FBJGZRUTBADZAD-LZLYRXPVSA-N 1 1 402.930 2.715 20 0 HFADMO COc1ccc2ncc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1 ZINC001164746152 720829492 /nfs/dbraw/zinc/82/94/92/720829492.db2.gz YBPSVZLAKCRMBG-NJNPRVFISA-N 1 1 419.533 2.609 20 0 HFADMO Clc1cc(C2CC2)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164740744 720830619 /nfs/dbraw/zinc/83/06/19/720830619.db2.gz LCYMJTTVWCPFBO-ZIFCJYIRSA-N 1 1 413.957 2.978 20 0 HFADMO CSc1cnc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744489 720831591 /nfs/dbraw/zinc/83/15/91/720831591.db2.gz URGGQPSQXJQYKJ-ARFHVFGLSA-N 1 1 419.986 2.823 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(SC)n3)CC[C@H]2C1 ZINC001164854273 720836864 /nfs/dbraw/zinc/83/68/64/720836864.db2.gz QWZFFUJXGMOKCY-STQMWFEESA-N 1 1 422.929 2.570 20 0 HFADMO Cc1cc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2s1 ZINC001164748864 720841960 /nfs/dbraw/zinc/84/19/60/720841960.db2.gz VAYCHSYTGFMGDZ-JENIJYKNSA-N 1 1 409.563 2.971 20 0 HFADMO CC(C)Sc1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1 ZINC001164748804 720852695 /nfs/dbraw/zinc/85/26/95/720852695.db2.gz MDZRHMUADWFLFB-GUDVDZBRSA-N 1 1 413.595 2.948 20 0 HFADMO Cc1cc2cccnc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164748873 720854039 /nfs/dbraw/zinc/85/40/39/720854039.db2.gz MTMKDBXNSMJYDQ-PWRODBHTSA-N 1 1 403.534 2.909 20 0 HFADMO C[C@@H]1CCc2nnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc2C1 ZINC001164744606 720855577 /nfs/dbraw/zinc/85/55/77/720855577.db2.gz BXHNMKGDZCURLB-KREFBHGWSA-N 1 1 407.566 2.572 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(Cl)nnc3-c3ccccc3)CC[C@@H]2C1 ZINC001164860262 720856072 /nfs/dbraw/zinc/85/60/72/720856072.db2.gz WDYOOFSZATTWTB-IEBWSBKVSA-N 1 1 402.926 2.971 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3cccc(-c4cccc(Cl)n4)n3)CC[C@H]2C1 ZINC001164854993 720856159 /nfs/dbraw/zinc/85/61/59/720856159.db2.gz LYKHEWWKABUVQL-LPHOPBHVSA-N 1 1 402.926 2.971 20 0 HFADMO c1csc(-c2nccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)n1 ZINC001164750210 720860506 /nfs/dbraw/zinc/86/05/06/720860506.db2.gz ORJVDCWPOHKZAB-OKZBNKHCSA-N 1 1 422.562 2.571 20 0 HFADMO CN(C)c1cncc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753313 720874491 /nfs/dbraw/zinc/87/44/91/720874491.db2.gz OZJXGRMOWVZCSI-QPPBQGQZSA-N 1 1 422.577 2.693 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(-c4ccccn4)nc4ccccc43)CC[C@H]2C1 ZINC001164863741 720874842 /nfs/dbraw/zinc/87/48/42/720874842.db2.gz UBUXDNQAWMXPSG-AVRDEDQJSA-N 1 1 419.529 2.865 20 0 HFADMO COc1cncnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749949 720880809 /nfs/dbraw/zinc/88/08/09/720880809.db2.gz IEHWEPJXVULDCA-NZQKXSOJSA-N 1 1 409.534 2.635 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(C)nc(-c4ccc(Cl)nc4)n3)CC[C@H]2C1 ZINC001164865245 720886242 /nfs/dbraw/zinc/88/62/42/720886242.db2.gz ZCQSGXVTWNXMCQ-ZWKOTPCHSA-N 1 1 417.941 2.674 20 0 HFADMO COc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C)n1 ZINC001164757894 720887541 /nfs/dbraw/zinc/88/75/41/720887541.db2.gz WFCAQVXUCARTGD-ZJSXRUAMSA-N 1 1 423.561 2.944 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3ccnc(CSc4ccccc4)n3)CC[C@H]2C1 ZINC001164864634 720887982 /nfs/dbraw/zinc/88/79/82/720887982.db2.gz WGEAMJDGYMVMFL-AZUAARDMSA-N 1 1 414.575 2.942 20 0 HFADMO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c12 ZINC001164859829 720939626 /nfs/dbraw/zinc/93/96/26/720939626.db2.gz NUOPJGHSGBOHJS-CQSZACIVSA-N 1 1 411.510 2.753 20 0 HFADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)c(F)c3c1C(=O)NC3)[C@H]2C ZINC001164858869 720970700 /nfs/dbraw/zinc/97/07/00/720970700.db2.gz IRAZWKICCGIMRE-NSHDSACASA-N 1 1 406.893 2.735 20 0 HFADMO CCOC(=O)c1cnc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c(OC)c1 ZINC001164856376 720977391 /nfs/dbraw/zinc/97/73/91/720977391.db2.gz BZOLJYRPPVGXDL-HNNXBMFYSA-N 1 1 401.511 2.885 20 0 HFADMO COC(=O)c1ccc2c(ccnc2N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164866371 721076496 /nfs/dbraw/zinc/07/64/96/721076496.db2.gz SVVKXAPECARKES-NHCUHLMSSA-N 1 1 418.497 2.896 20 0 HFADMO COC(=O)c1ccc2nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)ccc2c1 ZINC001164863526 721078547 /nfs/dbraw/zinc/07/85/47/721078547.db2.gz CNZOYPXFVNVFGN-RTWAWAEBSA-N 1 1 418.497 2.896 20 0 HFADMO CCOC(=O)c1cc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)ncc1Cl ZINC001164763619 721082293 /nfs/dbraw/zinc/08/22/93/721082293.db2.gz GDYOXQHTZUAHEH-HZPDHXFCSA-N 1 1 403.914 2.604 20 0 HFADMO CCOC(=O)c1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164863799 721095126 /nfs/dbraw/zinc/09/51/26/721095126.db2.gz DHRILTNJKYUJMJ-MSOLQXFVSA-N 1 1 416.909 2.786 20 0 HFADMO Cc1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccccn2)n1 ZINC001164879823 721139155 /nfs/dbraw/zinc/13/91/55/721139155.db2.gz UHOBTLXOCTTXPL-WOJBJXKFSA-N 1 1 402.502 2.722 20 0 HFADMO Cc1nc(C(F)(F)N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc(Cl)c1C ZINC001164766512 721160864 /nfs/dbraw/zinc/16/08/64/721160864.db2.gz LVUTWZJGUHTVTB-CVEARBPZSA-N 1 1 410.900 2.984 20 0 HFADMO c1cncc(CO[C@@H]2C[C@H]3CN(c4cncc(N5CCCCCC5)n4)CC[N@H+]3C2)c1 ZINC001164875413 721167201 /nfs/dbraw/zinc/16/72/01/721167201.db2.gz LMWKWDNDHGKGAC-LEWJYISDSA-N 1 1 408.550 2.732 20 0 HFADMO CN(C)c1ccc(-c2ccnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)n2)cc1 ZINC001164774377 721178322 /nfs/dbraw/zinc/17/83/22/721178322.db2.gz YTAOVMDRVMRVRI-SFTDATJTSA-N 1 1 417.561 2.901 20 0 HFADMO COc1ccc(-c2ccc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nn2)cc1 ZINC001164762001 721194888 /nfs/dbraw/zinc/19/48/88/721194888.db2.gz BQMJJUMUGOMARE-WOJBJXKFSA-N 1 1 404.518 2.844 20 0 HFADMO COc1cc(C)c2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164867888 721197324 /nfs/dbraw/zinc/19/73/24/721197324.db2.gz IYMKVDJNZCUMTI-AZUAARDMSA-N 1 1 405.502 2.822 20 0 HFADMO COc1cc2cnc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)cc2cc1OC ZINC001164768284 721211102 /nfs/dbraw/zinc/21/11/02/721211102.db2.gz KTLMBUKOWLTPOF-YLJYHZDGSA-N 1 1 407.518 2.944 20 0 HFADMO CC(C)c1noc(-c2ccnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c2)n1 ZINC001164773823 721223126 /nfs/dbraw/zinc/22/31/26/721223126.db2.gz XFGKEVMIBUPZMX-OALUTQOASA-N 1 1 407.522 2.947 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5c4ncn5-c4ccccc4)C[C@H]3C2)cn1 ZINC001164761904 721229765 /nfs/dbraw/zinc/22/97/65/721229765.db2.gz JZWGFWJBJBENGD-RBUKOAKNSA-N 1 1 414.517 2.507 20 0 HFADMO COC(=O)c1cc(Cl)c(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1C ZINC001164760509 721237579 /nfs/dbraw/zinc/23/75/79/721237579.db2.gz FIRCPDFGEVWTQT-HZPDHXFCSA-N 1 1 403.914 2.522 20 0 HFADMO C[N@@H+](Cc1ccc(N2Cc3cncn3C[C@H](COc3cccnc3)C2)nc1)C1CC1 ZINC001164768142 721276767 /nfs/dbraw/zinc/27/67/67/721276767.db2.gz KMXWTDVZCLVRON-LJQANCHMSA-N 1 1 404.518 2.983 20 0 HFADMO Cc1ccc(N2CCO[C@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)C[C@H]32)nn1 ZINC001164775168 721311680 /nfs/dbraw/zinc/31/16/80/721311680.db2.gz AOJACEPDHMOOCW-MSOLQXFVSA-N 1 1 414.941 2.523 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCCN(c4ccc(C)nn4)[C@@H]3C2)nc1 ZINC001164775696 721313870 /nfs/dbraw/zinc/31/38/70/721313870.db2.gz ILJNWTQOCLTGQY-NJDAHSKKSA-N 1 1 408.550 2.821 20 0 HFADMO COC(=O)c1ccc(C(F)(F)N2CCC3(CC(N(C)C)=[NH+]O3)CC2)c(Cl)n1 ZINC001164878855 721326196 /nfs/dbraw/zinc/32/61/96/721326196.db2.gz PYZUJZNFDXWAKB-UHFFFAOYSA-N 1 1 402.829 2.701 20 0 HFADMO CCOc1cncc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164776114 721331705 /nfs/dbraw/zinc/33/17/05/721331705.db2.gz COOFHCZREXKXSB-OAQYLSRUSA-N 1 1 401.511 2.599 20 0 HFADMO CCOc1cncc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164776114 721331714 /nfs/dbraw/zinc/33/17/14/721331714.db2.gz COOFHCZREXKXSB-OAQYLSRUSA-N 1 1 401.511 2.599 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@@H]2COC[C@@]2(COCC(=O)N2CCCC2)C1 ZINC001164887498 721339456 /nfs/dbraw/zinc/33/94/56/721339456.db2.gz UZVJPLOKGCXHGD-DYESRHJHSA-N 1 1 407.942 2.558 20 0 HFADMO COc1ncnc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1C ZINC001164777775 721348275 /nfs/dbraw/zinc/34/82/75/721348275.db2.gz HUZCGJLILQOLHN-NRFANRHFSA-N 1 1 401.511 2.517 20 0 HFADMO COc1ncnc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1C ZINC001164777775 721348281 /nfs/dbraw/zinc/34/82/81/721348281.db2.gz HUZCGJLILQOLHN-NRFANRHFSA-N 1 1 401.511 2.517 20 0 HFADMO CCOc1nccc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164776204 721352574 /nfs/dbraw/zinc/35/25/74/721352574.db2.gz ALGWMUFKUVDEFG-NRFANRHFSA-N 1 1 401.511 2.599 20 0 HFADMO CCOc1nccc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164776204 721352577 /nfs/dbraw/zinc/35/25/77/721352577.db2.gz ALGWMUFKUVDEFG-NRFANRHFSA-N 1 1 401.511 2.599 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5[nH]cc(F)c54)C3)O2)CC1 ZINC001164885685 721381692 /nfs/dbraw/zinc/38/16/92/721381692.db2.gz CZCXHNIVHHZKEX-JLTOFOAXSA-N 1 1 422.936 2.516 20 0 HFADMO CCOC(=O)c1nc2ccccc2c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164786606 721394166 /nfs/dbraw/zinc/39/41/66/721394166.db2.gz OIFWZFARZYXTKT-GASCZTMLSA-N 1 1 409.515 2.831 20 0 HFADMO CCOC(=O)c1nc2ccccc2c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164786606 721394172 /nfs/dbraw/zinc/39/41/72/721394172.db2.gz OIFWZFARZYXTKT-GASCZTMLSA-N 1 1 409.515 2.831 20 0 HFADMO Cc1nc2ccc(F)cc2c(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164892899 721397332 /nfs/dbraw/zinc/39/73/32/721397332.db2.gz UIHRAMXPORDVIZ-XXBNENTESA-N 1 1 413.541 2.843 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4SCC5)C3)O2)CC1 ZINC001164892440 721402218 /nfs/dbraw/zinc/40/22/18/721402218.db2.gz YGRFTWOQRRYNEC-FOIQADDNSA-N 1 1 424.014 2.544 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN([C@H](F)Oc4cccc(Cl)n4)C3)O2)CC1 ZINC001164887730 721411725 /nfs/dbraw/zinc/41/17/25/721411725.db2.gz MSJSULUANDIEAH-VDGAXYAQSA-N 1 1 412.937 2.628 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN([C@@H](F)Oc4cccc(Cl)n4)C3)O2)CC1 ZINC001164887727 721411926 /nfs/dbraw/zinc/41/19/26/721411926.db2.gz MSJSULUANDIEAH-DBVUQKKJSA-N 1 1 412.937 2.628 20 0 HFADMO c1csc(C[NH+]2C[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)C[C@H]3C2)n1 ZINC001164782060 721427345 /nfs/dbraw/zinc/42/73/45/721427345.db2.gz FLJMBRREMMVTBG-IAGOWNOFSA-N 1 1 421.526 2.940 20 0 HFADMO CSc1cnc(Cl)c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164893643 721430283 /nfs/dbraw/zinc/43/02/83/721430283.db2.gz JSERHHUKSGDGIE-DNVCBOLYSA-N 1 1 412.003 2.617 20 0 HFADMO CC(C)Sc1ccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nn1 ZINC001164888791 721441941 /nfs/dbraw/zinc/44/19/41/721441941.db2.gz AZQHIUPEWDSHOD-GHTZIAJQSA-N 1 1 405.612 2.743 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc5c(nc4Cl)CCCC5)C3)O2)CC1 ZINC001164888399 721451763 /nfs/dbraw/zinc/45/17/63/721451763.db2.gz LXXDCOZGYVPQRB-HTAPYJJXSA-N 1 1 420.001 2.774 20 0 HFADMO CN1CCN(c2ccc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nn2)CC1 ZINC001164793832 721490549 /nfs/dbraw/zinc/49/05/49/721490549.db2.gz XVWPBDFNRSYJBT-UHFFFAOYSA-N 1 1 421.593 2.504 20 0 HFADMO CN1CCN(c2ccc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nn2)CC1 ZINC001164793832 721490552 /nfs/dbraw/zinc/49/05/52/721490552.db2.gz XVWPBDFNRSYJBT-UHFFFAOYSA-N 1 1 421.593 2.504 20 0 HFADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(Cl)nc1C(N)=O)CC2 ZINC001164792446 721497055 /nfs/dbraw/zinc/49/70/55/721497055.db2.gz OTJWMLXXFCDOKO-UHFFFAOYSA-N 1 1 400.914 2.505 20 0 HFADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(C(=O)NC3CC3)nn1)CC2 ZINC001164795906 721501704 /nfs/dbraw/zinc/50/17/04/721501704.db2.gz MRPZNTAXGMNKOB-UHFFFAOYSA-N 1 1 406.534 2.645 20 0 HFADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4ncnc5cc6c(cc54)OCCO6)CC[N@H+]3C2)c1 ZINC001164902151 721518606 /nfs/dbraw/zinc/51/86/06/721518606.db2.gz ZRDTXIWMTOVVDH-FUHWJXTLSA-N 1 1 422.460 2.882 20 0 HFADMO COC(=O)c1c[nH]c2nc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)ccc12 ZINC001164900814 721525157 /nfs/dbraw/zinc/52/51/57/721525157.db2.gz VCRYDFOVENDLLE-DOTOQJQBSA-N 1 1 410.449 2.831 20 0 HFADMO COC(=O)c1cc(F)c(C)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909736 721533693 /nfs/dbraw/zinc/53/36/93/721533693.db2.gz RRZAGRBUQHEWNI-WBVHZDCISA-N 1 1 403.429 2.797 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)nc2)[C@@H]2CCCO[C@H]12 ZINC001164803093 721536418 /nfs/dbraw/zinc/53/64/18/721536418.db2.gz HWIMNUDGMCBRME-ZACQAIPSSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)nc2)[C@@H]2CCCO[C@H]12 ZINC001164803093 721536421 /nfs/dbraw/zinc/53/64/21/721536421.db2.gz HWIMNUDGMCBRME-ZACQAIPSSA-N 1 1 409.868 2.938 20 0 HFADMO CCOC(=O)c1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(OC)c1 ZINC001164905858 721542567 /nfs/dbraw/zinc/54/25/67/721542567.db2.gz JHSDSLQICDTWEJ-IEBWSBKVSA-N 1 1 415.465 2.748 20 0 HFADMO COC(=O)c1c[nH]c2nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)ccc12 ZINC001164810625 721543531 /nfs/dbraw/zinc/54/35/31/721543531.db2.gz XKUSSDAHVOOXDG-SVFBPWRDSA-N 1 1 421.501 2.613 20 0 HFADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc[nH]c5nc(=S)sc4-5)CC[N@H+]3C2)c1 ZINC001164906824 721550334 /nfs/dbraw/zinc/55/03/34/721550334.db2.gz LMVYHNBDPIWHCS-GXTWGEPZSA-N 1 1 403.508 2.856 20 0 HFADMO COc1nc(Cl)nc(C)c1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164810608 721554492 /nfs/dbraw/zinc/55/44/92/721554492.db2.gz ZJGTZTZTNBXSNV-SOLBZPMBSA-N 1 1 403.914 2.710 20 0 HFADMO COc1nc(Cl)nc(C)c1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164810608 721554499 /nfs/dbraw/zinc/55/44/99/721554499.db2.gz ZJGTZTZTNBXSNV-SOLBZPMBSA-N 1 1 403.914 2.710 20 0 HFADMO COc1ccc2ncc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc2c1 ZINC001164805817 721555072 /nfs/dbraw/zinc/55/50/72/721555072.db2.gz OYBJGXKSPCDCKQ-FUPPJEDESA-N 1 1 405.502 2.902 20 0 HFADMO COc1ccc2ncc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc2c1 ZINC001164805817 721555074 /nfs/dbraw/zinc/55/50/74/721555074.db2.gz OYBJGXKSPCDCKQ-FUPPJEDESA-N 1 1 405.502 2.902 20 0 HFADMO COc1cccc2cnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc21 ZINC001164807440 721557639 /nfs/dbraw/zinc/55/76/39/721557639.db2.gz TUTQRYVQOOOOOE-IPJJNNNSSA-N 1 1 405.502 2.902 20 0 HFADMO COc1cccc2cnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc21 ZINC001164807440 721557641 /nfs/dbraw/zinc/55/76/41/721557641.db2.gz TUTQRYVQOOOOOE-IPJJNNNSSA-N 1 1 405.502 2.902 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(N3CCCCC3)n2)[C@H]2CCCO[C@H]12 ZINC001164810443 721565512 /nfs/dbraw/zinc/56/55/12/721565512.db2.gz YILMXURRPWTGDK-VWPQPMDRSA-N 1 1 408.550 2.730 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(N3CCCCC3)n2)[C@H]2CCCO[C@H]12 ZINC001164810443 721565514 /nfs/dbraw/zinc/56/55/14/721565514.db2.gz YILMXURRPWTGDK-VWPQPMDRSA-N 1 1 408.550 2.730 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(N3CCCCC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164810437 721565811 /nfs/dbraw/zinc/56/58/11/721565811.db2.gz YILMXURRPWTGDK-KCZVDYSFSA-N 1 1 408.550 2.730 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(N3CCCCC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164810437 721565814 /nfs/dbraw/zinc/56/58/14/721565814.db2.gz YILMXURRPWTGDK-KCZVDYSFSA-N 1 1 408.550 2.730 20 0 HFADMO CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c2CC[NH2+]C3)[C@@H]2CCCO[C@H]12 ZINC001164807857 721572863 /nfs/dbraw/zinc/57/28/63/721572863.db2.gz TYBNYANGLWEXNT-UZKOGDIHSA-N 1 1 413.953 2.644 20 0 HFADMO Cc1noc(-c2cccnc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164808101 721579278 /nfs/dbraw/zinc/57/92/78/721579278.db2.gz PXDWCMJMSWNKAE-HSALFYBXSA-N 1 1 406.490 2.703 20 0 HFADMO Cc1noc(-c2cccnc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164808101 721579281 /nfs/dbraw/zinc/57/92/81/721579281.db2.gz PXDWCMJMSWNKAE-HSALFYBXSA-N 1 1 406.490 2.703 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C(N)=O)cc3ccccc32)[C@H]2CCCO[C@@H]12 ZINC001164807638 721582329 /nfs/dbraw/zinc/58/23/29/721582329.db2.gz PBHQSNZHGYZQGL-BHDDXSALSA-N 1 1 417.513 2.597 20 0 HFADMO NC(=O)c1ccc(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904978 721705150 /nfs/dbraw/zinc/70/51/50/721705150.db2.gz GFYNEGWYBVLJLO-IBGZPJMESA-N 1 1 421.879 2.967 20 0 HFADMO FC1(F)CCN(c2ccc(-n3ccnc3)nn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907351 721714588 /nfs/dbraw/zinc/71/45/88/721714588.db2.gz RCQNMTUPDKEZIB-FQEVSTJZSA-N 1 1 411.460 2.795 20 0 HFADMO CCNC(=O)c1cccnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906258 721714726 /nfs/dbraw/zinc/71/47/26/721714726.db2.gz LVWNWWAUEWYWEU-NRFANRHFSA-N 1 1 415.488 2.964 20 0 HFADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2nc(Cl)ncc2Cl)CC1 ZINC001165010678 721733820 /nfs/dbraw/zinc/73/38/20/721733820.db2.gz KGEDENUDYJTETP-UHFFFAOYSA-N 1 1 422.307 2.851 20 0 HFADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3C[C@H](OCC4CC4)[C@@H]4COC[C@H]43)C2)cc1 ZINC001165013805 721761537 /nfs/dbraw/zinc/76/15/37/721761537.db2.gz AMNLOXNKJLLEJM-MZYLBHOOSA-N 1 1 406.530 2.665 20 0 HFADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3C[C@H](OCC4CC4)[C@@H]4COC[C@H]43)C2)cc1 ZINC001165013805 721761541 /nfs/dbraw/zinc/76/15/41/721761541.db2.gz AMNLOXNKJLLEJM-MZYLBHOOSA-N 1 1 406.530 2.665 20 0 HFADMO C[NH+]1CCC(Oc2ccnc(N3CCC[C@@H]4CN(C(=O)c5ccco5)C[C@@H]43)c2)CC1 ZINC001165015104 721773115 /nfs/dbraw/zinc/77/31/15/721773115.db2.gz IOTYVHBNBRCRSN-XLIONFOSSA-N 1 1 410.518 2.889 20 0 HFADMO Fc1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c2ccccc12 ZINC001164914869 721783973 /nfs/dbraw/zinc/78/39/73/721783973.db2.gz GRTXBVAODFYHCU-QHCPKHFHSA-N 1 1 408.477 2.877 20 0 HFADMO Fc1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c2ccccc12 ZINC001164914869 721783975 /nfs/dbraw/zinc/78/39/75/721783975.db2.gz GRTXBVAODFYHCU-QHCPKHFHSA-N 1 1 408.477 2.877 20 0 HFADMO COc1cc(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)[nH+]c2ccccc21 ZINC001164917627 721790561 /nfs/dbraw/zinc/79/05/61/721790561.db2.gz YOUVNWDMEZFWQL-XMMPIXPASA-N 1 1 420.513 2.746 20 0 HFADMO CCOC(=O)Cc1ccc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nn1 ZINC001165024119 721819036 /nfs/dbraw/zinc/81/90/36/721819036.db2.gz ISHAWFVKCQKQEA-YYWHXJBOSA-N 1 1 409.534 2.714 20 0 HFADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)ncc1OCc1ccccc1 ZINC001164926571 721865174 /nfs/dbraw/zinc/86/51/74/721865174.db2.gz RWRDYJVPGYIHFO-QZTJIDSGSA-N 1 1 401.942 2.924 20 0 HFADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)ncc1OCc1ccccc1 ZINC001164926571 721865175 /nfs/dbraw/zinc/86/51/75/721865175.db2.gz RWRDYJVPGYIHFO-QZTJIDSGSA-N 1 1 401.942 2.924 20 0 HFADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(NC(N)=S)cn4)CC3)C2)cc1 ZINC001164940047 721932600 /nfs/dbraw/zinc/93/26/00/721932600.db2.gz PWCNRXNBUDIIBN-UHFFFAOYSA-N 1 1 411.575 2.917 20 0 HFADMO COC(=O)c1cnc(Cl)nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164953837 722012753 /nfs/dbraw/zinc/01/27/53/722012753.db2.gz GVIDOZSHJBCMKH-UHFFFAOYSA-N 1 1 401.898 2.804 20 0 HFADMO Cc1cc(N2CC[NH+](CCc3ccccn3)CC2)nc(NC(=O)c2ccccc2)n1 ZINC001165054936 722019571 /nfs/dbraw/zinc/01/95/71/722019571.db2.gz KDDIVCYTOMBDBC-UHFFFAOYSA-N 1 1 402.502 2.797 20 0 HFADMO COC(=O)CSc1cncc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955691 722022754 /nfs/dbraw/zinc/02/27/54/722022754.db2.gz NJLKMNFNBWYTRH-UHFFFAOYSA-N 1 1 413.547 2.629 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cccn3C)[C@@H]3COC[C@H]32)nc1 ZINC001164962549 722038152 /nfs/dbraw/zinc/03/81/52/722038152.db2.gz NWFXSJHORDCFAW-ITTUMRLJSA-N 1 1 423.561 2.601 20 0 HFADMO Cc1cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1N1CCCC1 ZINC001164958212 722051909 /nfs/dbraw/zinc/05/19/09/722051909.db2.gz DWCLCZHJMAYAQB-UHFFFAOYSA-N 1 1 422.577 2.899 20 0 HFADMO COc1c(Cl)nc(C)nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164962509 722056374 /nfs/dbraw/zinc/05/63/74/722056374.db2.gz DZVDIGYLXOZEQD-UHFFFAOYSA-N 1 1 417.941 2.961 20 0 HFADMO CC(=O)Nc1c(C)ccnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164961640 722058978 /nfs/dbraw/zinc/05/89/78/722058978.db2.gz NMJRISUMRISXRB-UHFFFAOYSA-N 1 1 409.534 2.862 20 0 HFADMO CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c(Cl)n1 ZINC001164967152 722074959 /nfs/dbraw/zinc/07/49/59/722074959.db2.gz LNTOZEYITKAPIR-OKILXGFUSA-N 1 1 415.868 2.756 20 0 HFADMO CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c(Cl)n1 ZINC001164967152 722074960 /nfs/dbraw/zinc/07/49/60/722074960.db2.gz LNTOZEYITKAPIR-OKILXGFUSA-N 1 1 415.868 2.756 20 0 HFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(c4cnn(C)c4)C(=O)[C@@H]3C2)nc1 ZINC001164982936 722095943 /nfs/dbraw/zinc/09/59/43/722095943.db2.gz SHCGLOWWMNYQMP-HMXCVIKNSA-N 1 1 408.550 2.851 20 0 HFADMO FC(F)(c1ccnc(Cl)n1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983372 722098497 /nfs/dbraw/zinc/09/84/97/722098497.db2.gz PQSRZOJAVWISHN-HOTGVXAUSA-N 1 1 409.868 2.797 20 0 HFADMO Cc1cc(N2CCCC2)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981581 722098801 /nfs/dbraw/zinc/09/88/01/722098801.db2.gz LTHSWMALDKLMKV-LEWJYISDSA-N 1 1 408.550 2.508 20 0 HFADMO Cc1cc(N2CCCC2)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981581 722098802 /nfs/dbraw/zinc/09/88/02/722098802.db2.gz LTHSWMALDKLMKV-LEWJYISDSA-N 1 1 408.550 2.508 20 0 HFADMO CCOC(=O)c1ccc(C)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977255 722098949 /nfs/dbraw/zinc/09/89/49/722098949.db2.gz FKGVRFONTDBLIA-PZJWPPBQSA-N 1 1 410.518 2.689 20 0 HFADMO COC(=O)c1c(Cl)ccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984743 722102714 /nfs/dbraw/zinc/10/27/14/722102714.db2.gz UKTGVCLERJOSST-FUHWJXTLSA-N 1 1 416.909 2.644 20 0 HFADMO CSc1ncc(Cl)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164986030 722104612 /nfs/dbraw/zinc/10/46/12/722104612.db2.gz XTDWJUCNIKULQF-WBVHZDCISA-N 1 1 405.955 2.974 20 0 HFADMO CSc1ncc(Cl)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164986022 722104731 /nfs/dbraw/zinc/10/47/31/722104731.db2.gz XTDWJUCNIKULQF-DOTOQJQBSA-N 1 1 405.955 2.974 20 0 HFADMO FC(F)(c1cnc(Cl)nc1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164985880 722105611 /nfs/dbraw/zinc/10/56/11/722105611.db2.gz XJVYRSQUZYOIPP-RDJZCZTQSA-N 1 1 409.868 2.797 20 0 HFADMO COC(=O)c1cc(Cl)cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983358 722106175 /nfs/dbraw/zinc/10/61/75/722106175.db2.gz PQMPOTMKZQIIAY-QFBILLFUSA-N 1 1 416.909 2.644 20 0 HFADMO F[C@H](Oc1ccc(Cl)nc1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972483 722118378 /nfs/dbraw/zinc/11/83/78/722118378.db2.gz FRHWDUZJBQCDHZ-POAQFYNOSA-N 1 1 406.889 2.985 20 0 HFADMO FC(F)(c1cnnc(Cl)c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973053 722119174 /nfs/dbraw/zinc/11/91/74/722119174.db2.gz GGRDSGXETQJFII-DOTOQJQBSA-N 1 1 409.868 2.797 20 0 HFADMO CCOC(=O)c1c(C)ccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984653 722132319 /nfs/dbraw/zinc/13/23/19/722132319.db2.gz YFWOFKIYGAJMTI-VQTJNVASSA-N 1 1 410.518 2.689 20 0 HFADMO Cc1nc(-c2ccncc2)cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984211 722147485 /nfs/dbraw/zinc/14/74/85/722147485.db2.gz WLDCBTKMNKCRPI-FYYLOGMGSA-N 1 1 416.529 2.969 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4cncc(N5CCCCCC5)n4)CC[C@H]3C2)c1 ZINC001164977089 722149796 /nfs/dbraw/zinc/14/97/96/722149796.db2.gz IRLHXPLUGVWHGZ-VXKWHMMOSA-N 1 1 422.577 2.979 20 0 HFADMO CC(C)OC(=O)c1cccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977148 722153416 /nfs/dbraw/zinc/15/34/16/722153416.db2.gz XRTGQIHJQWGCOW-CTNGQTDRSA-N 1 1 410.518 2.769 20 0 HFADMO Cc1nc(CN2CCO[C@H]3CCN(c4nc(NC5CC5)cc[nH+]4)CC[C@@H]32)cs1 ZINC001164987944 722173771 /nfs/dbraw/zinc/17/37/71/722173771.db2.gz PPLKPQWOLVRVJN-ROUUACIJSA-N 1 1 400.552 2.686 20 0 HFADMO CC(=O)NCc1ncn2c1CN(c1nc(Cl)ccc1C[NH+]1CCCC1)CCC2 ZINC001164999207 722228134 /nfs/dbraw/zinc/22/81/34/722228134.db2.gz KATVNYXZPVKYBO-UHFFFAOYSA-N 1 1 402.930 2.574 20 0 HFADMO C[N@@H+](Cc1ccc(N2CCO[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)nc1)C1CC1 ZINC001165001800 722249853 /nfs/dbraw/zinc/24/98/53/722249853.db2.gz VHKIZZPXZJBKRF-QHCPKHFHSA-N 1 1 410.518 2.780 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000790541163 1078047459 /nfs/dbraw/zinc/04/74/59/1078047459.db2.gz ZWOVODXLFVSBKR-NVXWUHKLSA-N 1 1 411.930 2.564 20 0 HFADMO CCOC(=O)C1(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2F)CCCC1 ZINC000790548359 1078054104 /nfs/dbraw/zinc/05/41/04/1078054104.db2.gz CHKMSOLUZHKKNF-CQSZACIVSA-N 1 1 401.276 2.828 20 0 HFADMO COC(=O)c1nn(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)c1Br ZINC000772825853 1078054561 /nfs/dbraw/zinc/05/45/61/1078054561.db2.gz DFTKSRXSTGRIPE-ZFWWWQNUSA-N 1 1 411.344 2.647 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)Nc1cccc(Cl)n1 ZINC000793049731 1078056413 /nfs/dbraw/zinc/05/64/13/1078056413.db2.gz RSSTXZRHQPUECL-QWHZDKJVSA-N 1 1 400.910 2.946 20 0 HFADMO O=C1CN([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3-n3cncn3)C2)c2ccccc2N1 ZINC000793074755 1078063023 /nfs/dbraw/zinc/06/30/23/1078063023.db2.gz LFSDFTJIVDQGHI-QGZVFWFLSA-N 1 1 408.893 2.954 20 0 HFADMO CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000790599053 1078063989 /nfs/dbraw/zinc/06/39/89/1078063989.db2.gz RMXUHPKRDBOWHE-QZTJIDSGSA-N 1 1 403.523 2.946 20 0 HFADMO C[C@H]1C[C@H](NC(=O)N(CCO)Cc2cccnc2Cl)C[N@H+]1Cc1ccccc1 ZINC000793093633 1078067567 /nfs/dbraw/zinc/06/75/67/1078067567.db2.gz SZBDGQYGJSDHPJ-LPHOPBHVSA-N 1 1 402.926 2.902 20 0 HFADMO Cc1nc2ccc(C(=O)NCCC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)cc2n1C ZINC000793098684 1078075371 /nfs/dbraw/zinc/07/53/71/1078075371.db2.gz LXYTZIQAJNTGJD-UHFFFAOYSA-N 1 1 415.538 2.554 20 0 HFADMO O=C(NCC[N@H+]1CCc2ccccc2C1)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000747101019 1078076073 /nfs/dbraw/zinc/07/60/73/1078076073.db2.gz CCSWDFMJCWOAFU-IBGZPJMESA-N 1 1 423.435 2.976 20 0 HFADMO CN(C(=O)c1ccc(NC(=O)C(F)(F)C2CCOCC2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000790668221 1078084551 /nfs/dbraw/zinc/08/45/51/1078084551.db2.gz CBQDNIINBUKGNX-GOSISDBHSA-N 1 1 409.477 2.853 20 0 HFADMO O=C(NCC[NH+]1Cc2ccccc2C1)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000747103496 1078087161 /nfs/dbraw/zinc/08/71/61/1078087161.db2.gz HTQVIPBYJLRVJB-GOSISDBHSA-N 1 1 409.408 2.934 20 0 HFADMO Cc1cc(CNC(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)cc(N2CCCC2)[nH+]1 ZINC000793212077 1078107755 /nfs/dbraw/zinc/10/77/55/1078107755.db2.gz UCWFUPADBUHYCC-VOTSOKGWSA-N 1 1 420.517 2.939 20 0 HFADMO C[C@@H]1C[C@@H](NC(=O)c2nc(Br)ccc2Br)C[N@H+]1C1CC1 ZINC000790761876 1078113399 /nfs/dbraw/zinc/11/33/99/1078113399.db2.gz YUEQBTXUAIFQDC-RKDXNWHRSA-N 1 1 403.118 2.962 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC000790738952 1078120686 /nfs/dbraw/zinc/12/06/86/1078120686.db2.gz MLLAPAHMQJASSF-MSOLQXFVSA-N 1 1 413.522 2.691 20 0 HFADMO CSC[C@H](COC(=O)c1ccc2c[nH+]cn2c1)OC(=O)c1ccc2cncn2c1 ZINC000793303548 1078122897 /nfs/dbraw/zinc/12/28/97/1078122897.db2.gz ITIOFOHKOSGSET-SFHVURJKSA-N 1 1 410.455 2.727 20 0 HFADMO CSC[C@H](COC(=O)c1ccc2cncn2c1)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000793303548 1078122907 /nfs/dbraw/zinc/12/29/07/1078122907.db2.gz ITIOFOHKOSGSET-SFHVURJKSA-N 1 1 410.455 2.727 20 0 HFADMO O=C(Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC(c2cccnc2)=NO1 ZINC000790801008 1078139063 /nfs/dbraw/zinc/13/90/63/1078139063.db2.gz SIXMPUYMLVCROI-TZIWHRDSSA-N 1 1 416.485 2.857 20 0 HFADMO CN(C(=O)C(F)(F)C1CCOCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000790819328 1078154526 /nfs/dbraw/zinc/15/45/26/1078154526.db2.gz XCYRKVGPOUJMMW-RTBURBONSA-N 1 1 401.542 2.844 20 0 HFADMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)[C@@H](C)C1 ZINC000793510758 1078194913 /nfs/dbraw/zinc/19/49/13/1078194913.db2.gz AJIHMMHUVCLOBI-BZSNNMDCSA-N 1 1 411.587 2.885 20 0 HFADMO CCOC1(C)CC[NH+](CN2C(=O)N[C@](C)(CCc3ccc4c(c3)OCO4)C2=O)CC1 ZINC000793546705 1078207800 /nfs/dbraw/zinc/20/78/00/1078207800.db2.gz OZSQPZPYPGDRSC-JOCHJYFZSA-N 1 1 417.506 2.507 20 0 HFADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC000793593169 1078218008 /nfs/dbraw/zinc/21/80/08/1078218008.db2.gz CUDFIOSCUDZJQR-QGZVFWFLSA-N 1 1 404.511 2.771 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CN2C(=O)N[C@@](C)(C3CCCCC3)C2=O)C1 ZINC000793596776 1078219299 /nfs/dbraw/zinc/21/92/99/1078219299.db2.gz ITAWBGSNGGTOTL-GOTSBHOMSA-N 1 1 413.518 2.651 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CN2C(=O)N[C@@](C)(C3CCCCC3)C2=O)C1 ZINC000793596776 1078219301 /nfs/dbraw/zinc/21/93/01/1078219301.db2.gz ITAWBGSNGGTOTL-GOTSBHOMSA-N 1 1 413.518 2.651 20 0 HFADMO COc1ccc(CN2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1OC(F)F ZINC000793608856 1078220143 /nfs/dbraw/zinc/22/01/43/1078220143.db2.gz YHEYUVOANOAUFM-OAHLLOKOSA-N 1 1 415.481 2.937 20 0 HFADMO COc1ccc(CN2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1OC(F)F ZINC000793608856 1078220147 /nfs/dbraw/zinc/22/01/47/1078220147.db2.gz YHEYUVOANOAUFM-OAHLLOKOSA-N 1 1 415.481 2.937 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CN2C(=O)CN(/C=C\c3ccccc3)C2=O)C1 ZINC000793601832 1078220928 /nfs/dbraw/zinc/22/09/28/1078220928.db2.gz XSQBFUCVJUZBJC-JYAZYPBOSA-N 1 1 419.481 2.696 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CN2C(=O)CN(/C=C\c3ccccc3)C2=O)C1 ZINC000793601832 1078220932 /nfs/dbraw/zinc/22/09/32/1078220932.db2.gz XSQBFUCVJUZBJC-JYAZYPBOSA-N 1 1 419.481 2.696 20 0 HFADMO Cc1nn(C)c2nc(Cl)c(CN3CC[N@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)cc12 ZINC000793603357 1078221295 /nfs/dbraw/zinc/22/12/95/1078221295.db2.gz HPANYRVFCFNVPX-HNNXBMFYSA-N 1 1 422.961 2.571 20 0 HFADMO Cc1nn(C)c2nc(Cl)c(CN3CC[N@@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)cc12 ZINC000793603357 1078221296 /nfs/dbraw/zinc/22/12/96/1078221296.db2.gz HPANYRVFCFNVPX-HNNXBMFYSA-N 1 1 422.961 2.571 20 0 HFADMO COC(=O)CCn1nc(C)c(C[N@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1C ZINC000793603604 1078222208 /nfs/dbraw/zinc/22/22/08/1078222208.db2.gz CIPWSJORAZMRCE-QFIPXVFZSA-N 1 1 420.554 2.896 20 0 HFADMO C[N@@H+]1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793605099 1078222583 /nfs/dbraw/zinc/22/25/83/1078222583.db2.gz VBSVVEUFYSYRLC-FQEVSTJZSA-N 1 1 417.529 2.711 20 0 HFADMO C[N@H+]1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793605099 1078222587 /nfs/dbraw/zinc/22/25/87/1078222587.db2.gz VBSVVEUFYSYRLC-FQEVSTJZSA-N 1 1 417.529 2.711 20 0 HFADMO Cn1c(CN2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)nc2ccc(Cl)cc21 ZINC000793604619 1078222995 /nfs/dbraw/zinc/22/29/95/1078222995.db2.gz RRUPOCHPQXXYIC-HNNXBMFYSA-N 1 1 407.946 2.867 20 0 HFADMO Cn1c(CN2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)nc2ccc(Cl)cc21 ZINC000793604619 1078222999 /nfs/dbraw/zinc/22/29/99/1078222999.db2.gz RRUPOCHPQXXYIC-HNNXBMFYSA-N 1 1 407.946 2.867 20 0 HFADMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)NCc1ccc([C@H](C)O)cc1 ZINC000793629668 1078233272 /nfs/dbraw/zinc/23/32/72/1078233272.db2.gz JOXXPOARPDUSQU-AVRDEDQJSA-N 1 1 411.546 2.629 20 0 HFADMO COC(=O)[C@]1(NC(=O)C[C@@H]2CCC[C@@H](OC)C2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000793638076 1078237224 /nfs/dbraw/zinc/23/72/24/1078237224.db2.gz VSBZPUGOPYWHQS-VIZSFHNOSA-N 1 1 402.535 2.906 20 0 HFADMO C[C@H](O)c1ccc(CNC(=O)C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000793651423 1078241489 /nfs/dbraw/zinc/24/14/89/1078241489.db2.gz MTNKVNZSYXACOU-MHECFPHRSA-N 1 1 409.530 2.527 20 0 HFADMO C[C@H](O)c1ccc(CNC(=O)C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000793651427 1078241504 /nfs/dbraw/zinc/24/15/04/1078241504.db2.gz MTNKVNZSYXACOU-UUOWRZLLSA-N 1 1 409.530 2.527 20 0 HFADMO C[C@@H](O)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000793650511 1078241983 /nfs/dbraw/zinc/24/19/83/1078241983.db2.gz KZKQAUCYFUFYNO-GCJKJVERSA-N 1 1 423.557 2.773 20 0 HFADMO C[C@H](CCNC(=O)C(=O)NCc1ccn(-c2ccccc2)n1)[N@@H+](C)Cc1ccccc1 ZINC000793662453 1078244436 /nfs/dbraw/zinc/24/44/36/1078244436.db2.gz GULSKVHOBLBUNF-LJQANCHMSA-N 1 1 419.529 2.515 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCc2nnc(COc3ccccn3)n2CC1 ZINC001170436377 1078248861 /nfs/dbraw/zinc/24/88/61/1078248861.db2.gz HZBVAHSDOZDGFG-GOSISDBHSA-N 1 1 421.501 2.860 20 0 HFADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(=O)NCc2ccc([C@@H](C)O)cc2)cc1 ZINC000793656037 1078258646 /nfs/dbraw/zinc/25/86/46/1078258646.db2.gz WSVVIHFDOQIPSN-HZPDHXFCSA-N 1 1 406.486 2.728 20 0 HFADMO C[N@H+]1CC[C@]2(CCN(CN3C(=O)N[C@@](C)(c4ccc(Cl)c(Cl)c4)C3=O)C2)C1 ZINC000793763223 1078281379 /nfs/dbraw/zinc/28/13/79/1078281379.db2.gz DKIPNUVAGSOWTD-OALUTQOASA-N 1 1 411.333 2.746 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H](C)COc2ccc(C)cc2)cc1F ZINC000793766224 1078282670 /nfs/dbraw/zinc/28/26/70/1078282670.db2.gz CJVLMTPKKBWOHA-MRXNPFEDSA-N 1 1 424.476 2.828 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000793808645 1078302075 /nfs/dbraw/zinc/30/20/75/1078302075.db2.gz WASPESGDMBGGEX-UZLBHIALSA-N 1 1 403.486 2.597 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000793807764 1078306373 /nfs/dbraw/zinc/30/63/73/1078306373.db2.gz SOWXYWSVLRHCOA-YWZLYKJASA-N 1 1 421.476 2.941 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NCc1ccc(OC(C)(C)C)cc1 ZINC000793805958 1078304986 /nfs/dbraw/zinc/30/49/86/1078304986.db2.gz RJHPCKOSRGUYTD-UHFFFAOYSA-N 1 1 421.501 2.686 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000793789977 1078297540 /nfs/dbraw/zinc/29/75/40/1078297540.db2.gz RPIIFSRYXUCBCG-XJKSGUPXSA-N 1 1 416.526 2.598 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000793809165 1078306496 /nfs/dbraw/zinc/30/64/96/1078306496.db2.gz XWBAEDVHJNSMMQ-HXUWFJFHSA-N 1 1 421.476 2.989 20 0 HFADMO COC(=O)c1ncn(CN2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]2CC(C)C)n1 ZINC000793807158 1078305877 /nfs/dbraw/zinc/30/58/77/1078305877.db2.gz WFESRDYLUYATNC-SFHVURJKSA-N 1 1 405.930 2.908 20 0 HFADMO COC(=O)c1ncn(CN2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]2CC(C)C)n1 ZINC000793807158 1078305881 /nfs/dbraw/zinc/30/58/81/1078305881.db2.gz WFESRDYLUYATNC-SFHVURJKSA-N 1 1 405.930 2.908 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793793330 1078299009 /nfs/dbraw/zinc/29/90/09/1078299009.db2.gz QDCJBNXUNHQDTP-ZVDOUQERSA-N 1 1 409.530 2.658 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000793806699 1078306056 /nfs/dbraw/zinc/30/60/56/1078306056.db2.gz VCTUJNBRYCDMTI-HOCLYGCPSA-N 1 1 423.439 2.677 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000793809164 1078306507 /nfs/dbraw/zinc/30/65/07/1078306507.db2.gz XWBAEDVHJNSMMQ-FQEVSTJZSA-N 1 1 421.476 2.989 20 0 HFADMO CSC[C@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(CCc3ccc4c(c3)OCO4)C2=O)C1 ZINC000793796819 1078300928 /nfs/dbraw/zinc/30/09/28/1078300928.db2.gz MZSMQAXQNIOMFN-KKSFZXQISA-N 1 1 419.547 2.691 20 0 HFADMO CSC[C@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(CCc3ccc4c(c3)OCO4)C2=O)C1 ZINC000793796819 1078300933 /nfs/dbraw/zinc/30/09/33/1078300933.db2.gz MZSMQAXQNIOMFN-KKSFZXQISA-N 1 1 419.547 2.691 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000793799579 1078301452 /nfs/dbraw/zinc/30/14/52/1078301452.db2.gz AFZMFNXIYOEAQS-OAQYLSRUSA-N 1 1 417.513 2.734 20 0 HFADMO Cc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)COc2ccc(C)cc2)[NH+]2CCCC2)o1 ZINC000793774820 1078308245 /nfs/dbraw/zinc/30/82/45/1078308245.db2.gz WFJTYPRJJLPXAG-XLIONFOSSA-N 1 1 413.518 2.733 20 0 HFADMO Cc1ccc([C@@H](C)NC(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)s1 ZINC000793847304 1078313412 /nfs/dbraw/zinc/31/34/12/1078313412.db2.gz KTQZCYMOLANXAQ-DOTOQJQBSA-N 1 1 415.559 2.771 20 0 HFADMO Cc1ccc([C@@H](C)NC(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)s1 ZINC000793847304 1078313417 /nfs/dbraw/zinc/31/34/17/1078313417.db2.gz KTQZCYMOLANXAQ-DOTOQJQBSA-N 1 1 415.559 2.771 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000793810257 1078314113 /nfs/dbraw/zinc/31/41/13/1078314113.db2.gz TTZCAAFBJYEZBS-UHFFFAOYSA-N 1 1 407.449 2.522 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1Cc2nccn2C[C@H](Cn2nc(C)nc2C)C1 ZINC001170438349 1078314150 /nfs/dbraw/zinc/31/41/50/1078314150.db2.gz RMRLDGAEGRPKCL-PMACEKPBSA-N 1 1 422.533 2.973 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1Cc2nccn2C[C@H](Cn2nc(C)nc2C)C1 ZINC001170438349 1078314154 /nfs/dbraw/zinc/31/41/54/1078314154.db2.gz RMRLDGAEGRPKCL-PMACEKPBSA-N 1 1 422.533 2.973 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1Cc2nccn2C[C@H](CN2CCCC2=O)C1 ZINC001170438553 1078322542 /nfs/dbraw/zinc/32/25/42/1078322542.db2.gz TYVOBYXIPWEXFV-MOPGFXCFSA-N 1 1 410.518 2.687 20 0 HFADMO CCN(CC)[C@H](CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)c1ccco1 ZINC000793850355 1078323085 /nfs/dbraw/zinc/32/30/85/1078323085.db2.gz XEQCBHJOEYNUOX-SOAGJPPSSA-N 1 1 418.582 2.692 20 0 HFADMO COc1cc(CNC(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccc1C ZINC000793867300 1078328030 /nfs/dbraw/zinc/32/80/30/1078328030.db2.gz JQLODTOMAVIYFO-XMMPIXPASA-N 1 1 409.530 2.648 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(Cl)nc2)cc1F ZINC000793899800 1078332863 /nfs/dbraw/zinc/33/28/63/1078332863.db2.gz SRPMMUDLPBSUPS-UHFFFAOYSA-N 1 1 415.856 2.643 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000793902267 1078333027 /nfs/dbraw/zinc/33/30/27/1078333027.db2.gz KCWMSKWARNZZLX-JKSUJKDBSA-N 1 1 416.526 2.788 20 0 HFADMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC2CCC(O)(c3ccccc3)CC2)C1 ZINC000793909260 1078335060 /nfs/dbraw/zinc/33/50/60/1078335060.db2.gz MTEYWEAXRRMGHP-ZGIGLSJSSA-N 1 1 415.578 2.560 20 0 HFADMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H](C)c1nc2ccccc2s1 ZINC000793913275 1078336474 /nfs/dbraw/zinc/33/64/74/1078336474.db2.gz QQFAFNLOTXTJLR-QKPAOTATSA-N 1 1 402.564 2.956 20 0 HFADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000793928358 1078340334 /nfs/dbraw/zinc/34/03/34/1078340334.db2.gz ATXUGAITZQUWGG-LPTQZCDUSA-N 1 1 411.933 2.875 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@H]2C[C@@H](C(=O)NCc3ccco3)[C@@H](C1)O2 ZINC001170439869 1078340535 /nfs/dbraw/zinc/34/05/35/1078340535.db2.gz BKXLQRHSFPIMQY-OSGXGRJZSA-N 1 1 412.486 2.735 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@H]2C[C@H](C(=O)NCc3ccco3)[C@@H](C1)O2 ZINC001170439880 1078340557 /nfs/dbraw/zinc/34/05/57/1078340557.db2.gz BKXLQRHSFPIMQY-YNFBMLRVSA-N 1 1 412.486 2.735 20 0 HFADMO CC[C@@]1(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000793951308 1078345296 /nfs/dbraw/zinc/34/52/96/1078345296.db2.gz GADWBYMBDUQHIF-NRFANRHFSA-N 1 1 405.543 2.685 20 0 HFADMO Cc1ccc(N2C[C@H](C(=O)NC3CCN(c4[nH+]ccn4C)CC3)CCC2=O)cc1C ZINC000793952583 1078345604 /nfs/dbraw/zinc/34/56/04/1078345604.db2.gz PZYSPCWKVWFHAB-GOSISDBHSA-N 1 1 409.534 2.565 20 0 HFADMO Cn1cc[nH+]c1N1CCC(NC(=O)[C@H]2CCCC[C@]2(C)NC(=O)OC(C)(C)C)CC1 ZINC000793952577 1078345676 /nfs/dbraw/zinc/34/56/76/1078345676.db2.gz PTQKGONKZJTGEB-VGSWGCGISA-N 1 1 419.570 2.979 20 0 HFADMO Cn1cc[nH+]c1N1CCC(NC(=O)c2sccc2NC(=O)c2ccncc2)CC1 ZINC000793952363 1078345757 /nfs/dbraw/zinc/34/57/57/1078345757.db2.gz MGPWIMMCLVGKGD-UHFFFAOYSA-N 1 1 410.503 2.528 20 0 HFADMO CC(C)(C)OC(=O)NCCc1nc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cs1 ZINC000793971554 1078349419 /nfs/dbraw/zinc/34/94/19/1078349419.db2.gz UAFTXFCYNLVWPJ-HNNXBMFYSA-N 1 1 408.568 2.957 20 0 HFADMO COCC1(C(=O)NCC[N@H+]2CCCC(C)(C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793971433 1078349765 /nfs/dbraw/zinc/34/97/65/1078349765.db2.gz NMSYUOXAKQJOTE-UHFFFAOYSA-N 1 1 411.587 2.888 20 0 HFADMO COCC1(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793973130 1078349987 /nfs/dbraw/zinc/34/99/87/1078349987.db2.gz ZIHBFAIGMHFYBI-SFHVURJKSA-N 1 1 409.571 2.783 20 0 HFADMO Cn1cc[nH+]c1N1CCC(NC(=O)[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000793946259 1078354839 /nfs/dbraw/zinc/35/48/39/1078354839.db2.gz HDOJHLHABFMODQ-NRFANRHFSA-N 1 1 405.543 2.542 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000793946741 1078355182 /nfs/dbraw/zinc/35/51/82/1078355182.db2.gz BVNKTITWSBZFDQ-GGPKGHCWSA-N 1 1 407.599 2.667 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCOC[C@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC001170441706 1078356708 /nfs/dbraw/zinc/35/67/08/1078356708.db2.gz JTHDDWKLXRANKV-MZKRTTBSSA-N 1 1 413.518 2.883 20 0 HFADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H](C)N3CCc4ccccc43)cc2)CC1 ZINC000747165321 1078358761 /nfs/dbraw/zinc/35/87/61/1078358761.db2.gz UHZFKKVSFQKXMC-GOSISDBHSA-N 1 1 406.530 2.854 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@H](OCCOC)[C@@H]1Cc1cnn(C)c1 ZINC001170441472 1078361078 /nfs/dbraw/zinc/36/10/78/1078361078.db2.gz HFTYPQGQIPMJLV-HKBOAZHASA-N 1 1 415.534 2.819 20 0 HFADMO Cc1[nH+]ccn1CCCC(=O)N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000794046619 1078365282 /nfs/dbraw/zinc/36/52/82/1078365282.db2.gz SUGHSOZJGDDJRP-UHFFFAOYSA-N 1 1 406.486 2.817 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001170443961 1078391958 /nfs/dbraw/zinc/39/19/58/1078391958.db2.gz SATLEKJWJASPPC-WMZHIEFXSA-N 1 1 410.518 2.898 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@H]2[C@@H](CC(=O)NCC3CC3)OC[C@H]2C1 ZINC001170445117 1078401909 /nfs/dbraw/zinc/40/19/09/1078401909.db2.gz VSRHJYBANSXYLU-NXLVEIQXSA-N 1 1 414.546 2.990 20 0 HFADMO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000794330421 1078416050 /nfs/dbraw/zinc/41/60/50/1078416050.db2.gz VZCNNIQSZYRIEC-JKSUJKDBSA-N 1 1 401.548 2.593 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000794383736 1078432680 /nfs/dbraw/zinc/43/26/80/1078432680.db2.gz PMHANTNPYSUJRX-RBUKOAKNSA-N 1 1 405.539 2.547 20 0 HFADMO CC[N@@H+]1CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)[C@@H](C)C1 ZINC000804382187 1078440854 /nfs/dbraw/zinc/44/08/54/1078440854.db2.gz XJTWYJCQJZGKDV-NSHDSACASA-N 1 1 420.362 2.600 20 0 HFADMO CC[N@H+]1CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)[C@@H](C)C1 ZINC000804382187 1078440856 /nfs/dbraw/zinc/44/08/56/1078440856.db2.gz XJTWYJCQJZGKDV-NSHDSACASA-N 1 1 420.362 2.600 20 0 HFADMO CC(=O)c1ccc(N2CCC[N@@H+](CCCc3ccccc3)CC2)c(S(N)(=O)=O)c1 ZINC000804406350 1078456537 /nfs/dbraw/zinc/45/65/37/1078456537.db2.gz XRAPXQIMINOSOY-UHFFFAOYSA-N 1 1 415.559 2.682 20 0 HFADMO COC(=O)c1cnc(NCCCN2CCN(c3cc[nH+]cc3)CC2)cc1C(F)(F)F ZINC000804398694 1078463033 /nfs/dbraw/zinc/46/30/33/1078463033.db2.gz 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CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000804775592 1078600752 /nfs/dbraw/zinc/60/07/52/1078600752.db2.gz JTIWHTLJQHTKOG-HOTGVXAUSA-N 1 1 405.543 2.738 20 0 HFADMO CC[N@@H+](CCC1CCN(c2ccc(C(C)=O)cc2S(N)(=O)=O)CC1)CC1CC1 ZINC000804591095 1078625950 /nfs/dbraw/zinc/62/59/50/1078625950.db2.gz VSMYGTJIIMDZHP-UHFFFAOYSA-N 1 1 407.580 2.875 20 0 HFADMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)sc2C1 ZINC001129950066 1078625532 /nfs/dbraw/zinc/62/55/32/1078625532.db2.gz CJSPYNOXDXQHIC-OKILXGFUSA-N 1 1 418.563 2.804 20 0 HFADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC001129680326 1078644943 /nfs/dbraw/zinc/64/49/43/1078644943.db2.gz WIMVQRUSVUTODT-INIZCTEOSA-N 1 1 411.344 2.902 20 0 HFADMO CCN1C(=O)C[C@H](C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@H]1c1cccnc1 ZINC001129703206 1078661560 /nfs/dbraw/zinc/66/15/60/1078661560.db2.gz DERJHWNPTQMIBX-RZFNWQHOSA-N 1 1 406.530 2.724 20 0 HFADMO 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/nfs/dbraw/zinc/94/50/56/1078945056.db2.gz RNFZTYQKSFLTTH-NMNUPHIUSA-N 1 1 411.546 2.871 20 0 HFADMO CS[C@@H]1CC[C@H](NC(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000805159309 1078951351 /nfs/dbraw/zinc/95/13/51/1078951351.db2.gz LKGXTUDPZLPXRH-PWRODBHTSA-N 1 1 402.608 2.872 20 0 HFADMO C[C@@]1(CNC(=O)C(=O)NCCCc2cccc(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000805231205 1078974491 /nfs/dbraw/zinc/97/44/91/1078974491.db2.gz HBUFIMQRNGKIBG-DEOSSOPVSA-N 1 1 411.521 2.903 20 0 HFADMO COCC(C)(C)[NH+]1CCN(C(=O)c2nn(-c3cccc(F)c3)c3c2CCC3)CC1 ZINC001130117572 1078987860 /nfs/dbraw/zinc/98/78/60/1078987860.db2.gz RBJOPOPPGITZKC-UHFFFAOYSA-N 1 1 400.498 2.683 20 0 HFADMO Cc1c(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000747236376 1078993733 /nfs/dbraw/zinc/99/37/33/1078993733.db2.gz LYWXUHFXRYPOAI-SJORKVTESA-N 1 1 408.424 2.793 20 0 HFADMO COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000747236225 1078994708 /nfs/dbraw/zinc/99/47/08/1078994708.db2.gz 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COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)cc1 ZINC000747263028 1079200941 /nfs/dbraw/zinc/20/09/41/1079200941.db2.gz JMRCTBUFZHDPOL-KEEQEYLASA-N 1 1 418.515 2.890 20 0 HFADMO C[C@H](CO)[N@@H+](CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1)C1CCCC1 ZINC000805752150 1079231115 /nfs/dbraw/zinc/23/11/15/1079231115.db2.gz ZLQKBIVYCNJBMA-QGZVFWFLSA-N 1 1 413.518 2.798 20 0 HFADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)c2cc(-n3cccc3)ccn2)CC1 ZINC000805713233 1079233032 /nfs/dbraw/zinc/23/30/32/1079233032.db2.gz OEKGEMSWZOJHKM-LJQANCHMSA-N 1 1 418.497 2.935 20 0 HFADMO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)cc1 ZINC000805787674 1079253662 /nfs/dbraw/zinc/25/36/62/1079253662.db2.gz WHJXTAPJNXQIHM-DCGLDWPTSA-N 1 1 401.429 2.801 20 0 HFADMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)cc1 ZINC000805787674 1079253669 /nfs/dbraw/zinc/25/36/69/1079253669.db2.gz WHJXTAPJNXQIHM-DCGLDWPTSA-N 1 1 401.429 2.801 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCN1C(=O)NC3(CCCC3)C1=O)C2 ZINC000805794995 1079259613 /nfs/dbraw/zinc/25/96/13/1079259613.db2.gz DIGVQWLAPFOBNG-NRFANRHFSA-N 1 1 420.554 2.574 20 0 HFADMO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805795036 1079260428 /nfs/dbraw/zinc/26/04/28/1079260428.db2.gz DXPHLGAVOWANNU-KKSFZXQISA-N 1 1 410.559 2.580 20 0 HFADMO CSc1nc(C)c(CCC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(=O)[nH]1 ZINC001130393499 1079273880 /nfs/dbraw/zinc/27/38/80/1079273880.db2.gz PPKDTYSGPCAIJC-OAQYLSRUSA-N 1 1 400.548 2.926 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000805765446 1079266021 /nfs/dbraw/zinc/26/60/21/1079266021.db2.gz LSDWBXUPUQIQDO-INIZCTEOSA-N 1 1 408.543 2.620 20 0 HFADMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3[C@H](C)C[N@@H+](C)[C@H](C)[C@H]3C)CC2)cc1C ZINC001130369980 1079268709 /nfs/dbraw/zinc/26/87/09/1079268709.db2.gz LOMRWUQUIMROML-GUDVDZBRSA-N 1 1 421.607 2.644 20 0 HFADMO COC[C@@]1(C)CC[N@@H+](C[C@@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)C1 ZINC001170488898 1079274805 /nfs/dbraw/zinc/27/48/05/1079274805.db2.gz BJNSJFXPHFWOKB-MJGOQNOKSA-N 1 1 400.441 2.525 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)ccc1F ZINC000747270588 1079277667 /nfs/dbraw/zinc/27/76/67/1079277667.db2.gz LXHFNVLKSPBSPE-JKSUJKDBSA-N 1 1 412.527 2.887 20 0 HFADMO O=C(C[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000805810366 1079285121 /nfs/dbraw/zinc/28/51/21/1079285121.db2.gz BVWAFTGRULKBMX-GOSISDBHSA-N 1 1 420.513 2.822 20 0 HFADMO O=C(C[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000805810366 1079285127 /nfs/dbraw/zinc/28/51/27/1079285127.db2.gz BVWAFTGRULKBMX-GOSISDBHSA-N 1 1 420.513 2.822 20 0 HFADMO COC(=O)Nc1cccc(CNC(=O)N2CC[NH+](CCc3cccs3)CC2)c1 ZINC000805816689 1079289076 /nfs/dbraw/zinc/28/90/76/1079289076.db2.gz KZKJXBZMRCHJCW-UHFFFAOYSA-N 1 1 402.520 2.996 20 0 HFADMO COCc1nc2sc(C(=O)OC[C@H]3C[N@@H+](CC(C)C)CCO3)c(C)c2c(OC)n1 ZINC000805820088 1079292563 /nfs/dbraw/zinc/29/25/63/1079292563.db2.gz DOPLYXYSKLEDOA-CQSZACIVSA-N 1 1 423.535 2.668 20 0 HFADMO Brc1ccsc1C[N@H+](CCC1OCCCO1)CCN1CCOCC1 ZINC000805822639 1079292892 /nfs/dbraw/zinc/29/28/92/1079292892.db2.gz UWRFAPZJKSVEPD-UHFFFAOYSA-N 1 1 419.385 2.798 20 0 HFADMO Brc1ccsc1C[N@@H+](CCC1OCCCO1)CCN1CCOCC1 ZINC000805822639 1079292897 /nfs/dbraw/zinc/29/28/97/1079292897.db2.gz UWRFAPZJKSVEPD-UHFFFAOYSA-N 1 1 419.385 2.798 20 0 HFADMO CNC(=O)OC[C@H]1CCCC[N@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000805827502 1079297720 /nfs/dbraw/zinc/29/77/20/1079297720.db2.gz KXFXCTVMFBGVOV-HUUCEWRRSA-N 1 1 419.291 2.538 20 0 HFADMO O=C(C[N@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1)N1CCOC[C@@H]1C1CC1 ZINC000805828915 1079298837 /nfs/dbraw/zinc/29/88/37/1079298837.db2.gz DAWHTONGQYHLJW-VQTJNVASSA-N 1 1 407.555 2.537 20 0 HFADMO O=C(C[N@@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1)N1CCOC[C@@H]1C1CC1 ZINC000805828915 1079298842 /nfs/dbraw/zinc/29/88/42/1079298842.db2.gz DAWHTONGQYHLJW-VQTJNVASSA-N 1 1 407.555 2.537 20 0 HFADMO COc1ccc(CNC(=O)CC[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c(OC)c1 ZINC001170490078 1079310587 /nfs/dbraw/zinc/31/05/87/1079310587.db2.gz KKWKQGFVKIRCDF-UXHICEINSA-N 1 1 402.535 2.991 20 0 HFADMO C[C@@H](CN1CCOCC1)[N@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001170490495 1079317318 /nfs/dbraw/zinc/31/73/18/1079317318.db2.gz MWXWOIWDYFCEDS-DOTOQJQBSA-N 1 1 414.331 2.876 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1F ZINC000747276197 1079340632 /nfs/dbraw/zinc/34/06/32/1079340632.db2.gz DPEUOIPURUOBRW-INIZCTEOSA-N 1 1 420.506 2.897 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1F ZINC000747276197 1079340635 /nfs/dbraw/zinc/34/06/35/1079340635.db2.gz DPEUOIPURUOBRW-INIZCTEOSA-N 1 1 420.506 2.897 20 0 HFADMO COCC[N@@H+]1CCN(C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)C(C)(C)C1 ZINC001130421058 1079340830 /nfs/dbraw/zinc/34/08/30/1079340830.db2.gz LQUPRYKOMDKBCV-UHFFFAOYSA-N 1 1 417.941 2.981 20 0 HFADMO COCC[N@H+]1CCN(C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)C(C)(C)C1 ZINC001130421058 1079340833 /nfs/dbraw/zinc/34/08/33/1079340833.db2.gz LQUPRYKOMDKBCV-UHFFFAOYSA-N 1 1 417.941 2.981 20 0 HFADMO C[C@@H](CNC(=O)C(=O)N1CCC([C@H](O)c2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000805940796 1079343675 /nfs/dbraw/zinc/34/36/75/1079343675.db2.gz CNABHOLNDKYTDC-WMZHIEFXSA-N 1 1 423.557 2.595 20 0 HFADMO Cc1ccc(N2CCCN(C(=O)C(=O)NC[C@H](C)[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000805940945 1079344336 /nfs/dbraw/zinc/34/43/36/1079344336.db2.gz IMWXCSGCUYAYHO-NRFANRHFSA-N 1 1 422.573 2.670 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)cc1Cl ZINC000747280178 1079352291 /nfs/dbraw/zinc/35/22/91/1079352291.db2.gz PFLADOOIRQBHQW-MNOVXSKESA-N 1 1 407.319 2.637 20 0 HFADMO C[C@@H](OCC(=O)OC[C@H]1C[N@@H+](Cc2ccccc2)CC(C)(C)O1)c1nccn1C ZINC000805923761 1079353444 /nfs/dbraw/zinc/35/34/44/1079353444.db2.gz PRFNAIFXYHMPGS-IEBWSBKVSA-N 1 1 401.507 2.721 20 0 HFADMO O=S(=O)(/C=C/c1ccccc1Br)N1CC[NH+](C2CCOCC2)CC1 ZINC000747290108 1079387824 /nfs/dbraw/zinc/38/78/24/1079387824.db2.gz BUQVFFOZFHTFHP-VGOFMYFVSA-N 1 1 415.353 2.546 20 0 HFADMO Cn1cnc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1Cl ZINC000747291870 1079390748 /nfs/dbraw/zinc/39/07/48/1079390748.db2.gz WXVLWXLKESDIRE-LJQANCHMSA-N 1 1 408.955 2.750 20 0 HFADMO C[C@H](CNC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130472217 1079398808 /nfs/dbraw/zinc/39/88/08/1079398808.db2.gz NOAKXTQXDFTKKR-XSYGEPLQSA-N 1 1 419.566 2.941 20 0 HFADMO C[C@H](CNC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130472217 1079398813 /nfs/dbraw/zinc/39/88/13/1079398813.db2.gz NOAKXTQXDFTKKR-XSYGEPLQSA-N 1 1 419.566 2.941 20 0 HFADMO Cn1nccc1[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)C(=O)OC(C)(C)C ZINC001130493418 1079403292 /nfs/dbraw/zinc/40/32/92/1079403292.db2.gz XLWWLVHOMIGZKZ-IRXDYDNUSA-N 1 1 406.914 2.875 20 0 HFADMO C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CCOCC1 ZINC001130518917 1079450295 /nfs/dbraw/zinc/45/02/95/1079450295.db2.gz QUXKGSZDGKDRNA-OKZBNKHCSA-N 1 1 409.571 2.830 20 0 HFADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@H]3CCc4ccccc4NC3=O)cc2)C[C@@H](C)O1 ZINC001130541083 1079461545 /nfs/dbraw/zinc/46/15/45/1079461545.db2.gz TYFJUXCIAFUUOZ-YVHKJVDXSA-N 1 1 407.514 2.979 20 0 HFADMO CCOC(=O)CC(C)(C)CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001130529664 1079465828 /nfs/dbraw/zinc/46/58/28/1079465828.db2.gz XIVSETQPSDXLFR-UXHICEINSA-N 1 1 402.535 2.858 20 0 HFADMO CC(C)n1cc([C@@H](C)NC(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000806158346 1079471709 /nfs/dbraw/zinc/47/17/09/1079471709.db2.gz XYDDOUMKQZAFBM-WZONZLPQSA-N 1 1 411.550 2.670 20 0 HFADMO C[N@@H+]1CCN(C(=O)CCC(=O)N2CCOc3ccccc32)[C@@H](Cc2ccccc2)C1 ZINC001130550939 1079487289 /nfs/dbraw/zinc/48/72/89/1079487289.db2.gz UCERCABZNPEQRB-FQEVSTJZSA-N 1 1 407.514 2.578 20 0 HFADMO C[N@H+]1CCN(C(=O)CCC(=O)N2CCOc3ccccc32)[C@@H](Cc2ccccc2)C1 ZINC001130550939 1079487292 /nfs/dbraw/zinc/48/72/92/1079487292.db2.gz UCERCABZNPEQRB-FQEVSTJZSA-N 1 1 407.514 2.578 20 0 HFADMO Cc1cc(C(N)=O)ccc1NC(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000806201197 1079489460 /nfs/dbraw/zinc/48/94/60/1079489460.db2.gz BXNDDLRIANIPKC-OAQYLSRUSA-N 1 1 421.545 2.518 20 0 HFADMO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000787332494 1076745389 /nfs/dbraw/zinc/74/53/89/1076745389.db2.gz LNDJXQIMLBDQKC-ZIFCJYIRSA-N 1 1 424.586 2.527 20 0 HFADMO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](CC(N)=O)C2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000746675841 1076750781 /nfs/dbraw/zinc/75/07/81/1076750781.db2.gz PXEXXHHWESZDFQ-QGZVFWFLSA-N 1 1 411.502 2.652 20 0 HFADMO Cc1cc(C(=O)C[N@H+]2CCC[C@H](CC(N)=O)C2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000746675841 1076750787 /nfs/dbraw/zinc/75/07/87/1076750787.db2.gz PXEXXHHWESZDFQ-QGZVFWFLSA-N 1 1 411.502 2.652 20 0 HFADMO C[C@H]1CN(C(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)CC[N@H+]1CC(C)(C)O ZINC000787315101 1076759297 /nfs/dbraw/zinc/75/92/97/1076759297.db2.gz VHJXZWUUKMOIKI-INIZCTEOSA-N 1 1 405.539 2.629 20 0 HFADMO C[N@@H+](CCNC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)C1CCCC1 ZINC000787322589 1076765807 /nfs/dbraw/zinc/76/58/07/1076765807.db2.gz HMTUVRGWAHINSI-HNNXBMFYSA-N 1 1 405.543 2.738 20 0 HFADMO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000787323193 1076767040 /nfs/dbraw/zinc/76/70/40/1076767040.db2.gz ARYNJTNROFFFOW-LMMKCTJWSA-N 1 1 424.586 2.527 20 0 HFADMO C[C@H]1CC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)[C@H]1c1cccc(F)c1 ZINC000746679596 1076774910 /nfs/dbraw/zinc/77/49/10/1076774910.db2.gz PXEGWWTUQYOUSU-HNAYVOBHSA-N 1 1 416.497 2.885 20 0 HFADMO C[C@H]1CC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)[C@@H]1c1cccc(F)c1 ZINC000746679597 1076775125 /nfs/dbraw/zinc/77/51/25/1076775125.db2.gz PXEGWWTUQYOUSU-KXBFYZLASA-N 1 1 416.497 2.885 20 0 HFADMO CC[NH+](CC)[C@H](CNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)Cc1ccccc1 ZINC000746680432 1076776719 /nfs/dbraw/zinc/77/67/19/1076776719.db2.gz BBMQLTVAASAOFZ-SFHVURJKSA-N 1 1 424.570 2.755 20 0 HFADMO CC(C)c1[nH+]ccn1CCNC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787350386 1076791414 /nfs/dbraw/zinc/79/14/14/1076791414.db2.gz QMMBBYMDFPITQV-OAHLLOKOSA-N 1 1 416.526 2.884 20 0 HFADMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc([C@H]4CCN(C(=O)OC(C)(C)C)C4)[nH]n3)CC[C@@H]21 ZINC000787447612 1076814734 /nfs/dbraw/zinc/81/47/34/1076814734.db2.gz WPCPJAITYDXUPB-FCEWJHQRSA-N 1 1 417.554 2.690 20 0 HFADMO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([C@H]4CCN(C(=O)OC(C)(C)C)C4)n[nH]3)CC[C@@H]21 ZINC000787447612 1076814743 /nfs/dbraw/zinc/81/47/43/1076814743.db2.gz WPCPJAITYDXUPB-FCEWJHQRSA-N 1 1 417.554 2.690 20 0 HFADMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc([C@H]4CCN(C(=O)OC(C)(C)C)C4)n[nH]3)CC[C@@H]21 ZINC000787447612 1076814752 /nfs/dbraw/zinc/81/47/52/1076814752.db2.gz WPCPJAITYDXUPB-FCEWJHQRSA-N 1 1 417.554 2.690 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCc2ccccc2OCC(C)C)cn1 ZINC000787476066 1076836345 /nfs/dbraw/zinc/83/63/45/1076836345.db2.gz DIVSQBADEBYEBD-UHFFFAOYSA-N 1 1 421.501 2.543 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)cn1 ZINC000787480880 1076839344 /nfs/dbraw/zinc/83/93/44/1076839344.db2.gz GUSPOHAKOUPQPP-SZNDQCEHSA-N 1 1 421.476 2.771 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)cn1 ZINC000787480878 1076839437 /nfs/dbraw/zinc/83/94/37/1076839437.db2.gz GUSPOHAKOUPQPP-QKKBWIMNSA-N 1 1 421.476 2.771 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(C)[C@H](C)c2cc(F)ccc2F)cn1 ZINC000787482197 1076839658 /nfs/dbraw/zinc/83/96/58/1076839658.db2.gz SDKNAGDQAXJQAA-CYBMUJFWSA-N 1 1 413.428 2.690 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(C)Cc2cccc(OC(C)C)c2)cn1 ZINC000787482021 1076839927 /nfs/dbraw/zinc/83/99/27/1076839927.db2.gz PJEHJRFLTDTGGC-UHFFFAOYSA-N 1 1 421.501 2.638 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[C@H](c3cccc(C)c3)C2)cn1 ZINC000787484000 1076841551 /nfs/dbraw/zinc/84/15/51/1076841551.db2.gz HYQQLXOCNUWYID-FQEVSTJZSA-N 1 1 403.486 2.516 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@H](C)C[C@@H]2c2ccccc2F)cn1 ZINC000787483515 1076841931 /nfs/dbraw/zinc/84/19/31/1076841931.db2.gz FTBVGUYPKOLIGC-FOIQADDNSA-N 1 1 421.476 2.941 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCC2(Sc3ccccc3)CC2)cn1 ZINC000787484739 1076842778 /nfs/dbraw/zinc/84/27/78/1076842778.db2.gz MDGBAARVYDICMC-UHFFFAOYSA-N 1 1 421.526 2.633 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H](C)c2cccc(OC(C)C)c2)cn1 ZINC000787485531 1076843586 /nfs/dbraw/zinc/84/35/86/1076843586.db2.gz KNCUXAOQCSIOCN-MRXNPFEDSA-N 1 1 421.501 2.857 20 0 HFADMO CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)Nc3ccc(C4CCC4)cc3)CC2)CC1 ZINC000787532509 1076850921 /nfs/dbraw/zinc/85/09/21/1076850921.db2.gz ZJQYXYZHSCJCEF-UHFFFAOYSA-N 1 1 412.578 2.910 20 0 HFADMO C[C@H]([NH2+]C(C)(C)CNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)c1ccccc1 ZINC000746688707 1076857900 /nfs/dbraw/zinc/85/79/00/1076857900.db2.gz MDYGFQWXPGNVMR-HNNXBMFYSA-N 1 1 410.543 2.931 20 0 HFADMO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787563661 1076866025 /nfs/dbraw/zinc/86/60/25/1076866025.db2.gz QVDHIBYFKNLEKP-HNNXBMFYSA-N 1 1 405.543 2.690 20 0 HFADMO COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](SC)C1)[NH+]1CCCCC1 ZINC000787584299 1076873575 /nfs/dbraw/zinc/87/35/75/1076873575.db2.gz IAPODQSRNVMLIW-LMMKCTJWSA-N 1 1 419.591 2.739 20 0 HFADMO C[C@@H](Cc1ccco1)NC(=O)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000787607200 1076875653 /nfs/dbraw/zinc/87/56/53/1076875653.db2.gz ALJVDJGQTPXMTI-HNAYVOBHSA-N 1 1 403.910 2.934 20 0 HFADMO CS[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000787609948 1076877281 /nfs/dbraw/zinc/87/72/81/1076877281.db2.gz POGALMBYGOVQQF-RCCFBDPRSA-N 1 1 409.983 2.993 20 0 HFADMO C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(N4CCCCCCC4)c(F)c3)C[C@H]2C1 ZINC000787598276 1076886862 /nfs/dbraw/zinc/88/68/62/1076886862.db2.gz LDNXGXFHEYGFIB-CALCHBBNSA-N 1 1 402.514 2.555 20 0 HFADMO COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@H](C)Cc1ccco1)[NH+]1CCCCC1 ZINC000787599598 1076887656 /nfs/dbraw/zinc/88/76/56/1076887656.db2.gz UIKJVWPZGQSDHY-YLJYHZDGSA-N 1 1 413.518 2.679 20 0 HFADMO C[C@@H](NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000787674493 1076890047 /nfs/dbraw/zinc/89/00/47/1076890047.db2.gz HRILGBLJYYYGTJ-ZIAGYGMSSA-N 1 1 401.429 2.611 20 0 HFADMO Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000787657553 1076901134 /nfs/dbraw/zinc/90/11/34/1076901134.db2.gz XTZABVWHJGDOJF-MRXNPFEDSA-N 1 1 408.424 2.733 20 0 HFADMO C[C@H](C(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)N1CC[NH+](C)CC1 ZINC000787664836 1076903850 /nfs/dbraw/zinc/90/38/50/1076903850.db2.gz HNDMTVZGWNOGRR-HXUWFJFHSA-N 1 1 407.558 2.800 20 0 HFADMO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1)CCC2 ZINC000787668472 1076904893 /nfs/dbraw/zinc/90/48/93/1076904893.db2.gz FEHZMGKTWACJLB-LJQANCHMSA-N 1 1 403.571 2.728 20 0 HFADMO Cc1cc2nc(N3CC[N@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)c3ccccc3n2n1 ZINC000746703442 1076906592 /nfs/dbraw/zinc/90/65/92/1076906592.db2.gz HAVLWDXSOBZUHI-INIZCTEOSA-N 1 1 410.522 2.836 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc(Br)ncc1Cl ZINC000787686000 1076911166 /nfs/dbraw/zinc/91/11/66/1076911166.db2.gz SJXJSXDPOSXPAT-LLVKDONJSA-N 1 1 402.720 2.823 20 0 HFADMO CCOc1ccccc1N1CC[NH+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1 ZINC000787687199 1076911459 /nfs/dbraw/zinc/91/14/59/1076911459.db2.gz KCLOFWYVSYSIHM-REWPJTCUSA-N 1 1 419.566 2.968 20 0 HFADMO C[C@H](c1cccnc1)N1CC[NH+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000787715228 1076923740 /nfs/dbraw/zinc/92/37/40/1076923740.db2.gz BWYNVIOLDNYTGJ-ZWCUEREDSA-N 1 1 404.555 2.521 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@@H]([NH+]2CCN(c3cc(F)ccc3F)CC2)C1 ZINC000787730854 1076933712 /nfs/dbraw/zinc/93/37/12/1076933712.db2.gz PDRVGMCZRLTVDO-GHTZIAJQSA-N 1 1 411.493 2.847 20 0 HFADMO Cc1cnc(Cl)c(NC(=O)C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1 ZINC000787878195 1076973252 /nfs/dbraw/zinc/97/32/52/1076973252.db2.gz SNBPTRAALBORIU-UHFFFAOYSA-N 1 1 400.910 2.935 20 0 HFADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)C1 ZINC000787911737 1076992712 /nfs/dbraw/zinc/99/27/12/1076992712.db2.gz QEAXDQQNNWPAKI-GUDVDZBRSA-N 1 1 421.607 2.791 20 0 HFADMO COc1ccc([C@@H](CNS(=O)(=O)c2cnc(Cl)c(F)c2)[NH+]2CCCC2)cc1 ZINC000787917589 1076995124 /nfs/dbraw/zinc/99/51/24/1076995124.db2.gz DNYUWWMNUAHMQC-QGZVFWFLSA-N 1 1 413.902 2.998 20 0 HFADMO COC(=O)c1cnc(N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C(F)(F)F ZINC000787900118 1077004207 /nfs/dbraw/zinc/00/42/07/1077004207.db2.gz XZMUOXSSYUAIDM-HZSPNIEDSA-N 1 1 401.429 2.965 20 0 HFADMO COC(=O)c1cc(NC(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)ccc1F ZINC000746721391 1077006538 /nfs/dbraw/zinc/00/65/38/1077006538.db2.gz VJYQOVDXQLXDHZ-INIZCTEOSA-N 1 1 414.481 2.945 20 0 HFADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc(OCc3cccnc3)cc2)CC1 ZINC000746723101 1077021777 /nfs/dbraw/zinc/02/17/77/1077021777.db2.gz BRMUSVZETYOTPA-QGZVFWFLSA-N 1 1 412.490 2.762 20 0 HFADMO C[C@@H]1CCCC[C@H]1OCCNC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000787993798 1077022035 /nfs/dbraw/zinc/02/20/35/1077022035.db2.gz XVMWAYUZAZXOSX-ZILOHOTNSA-N 1 1 415.578 2.726 20 0 HFADMO O=C(CN1CCN(c2[nH]cc[nH+]2)CC1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000788004197 1077026219 /nfs/dbraw/zinc/02/62/19/1077026219.db2.gz LIGKKSHABQWJNN-UHFFFAOYSA-N 1 1 422.464 2.562 20 0 HFADMO O=C1C(=O)N(CN2CC[NH+](CC3CC3)CC2)c2ccc(Br)c(Cl)c21 ZINC000788040087 1077037371 /nfs/dbraw/zinc/03/73/71/1077037371.db2.gz KFXQRFDXGMCNIL-UHFFFAOYSA-N 1 1 412.715 2.617 20 0 HFADMO COc1cc(C(=O)N2CC[NH+](CCc3cccs3)CC2)cnc1Br ZINC000788176320 1077067188 /nfs/dbraw/zinc/06/71/88/1077067188.db2.gz UMLBLRNDGSQKIC-UHFFFAOYSA-N 1 1 410.337 2.915 20 0 HFADMO COc1cc(C(=O)NCc2cccnc2-n2cc[nH+]c2C)cnc1Br ZINC000788175984 1077067317 /nfs/dbraw/zinc/06/73/17/1077067317.db2.gz QKXXQZYPNDTLGH-UHFFFAOYSA-N 1 1 402.252 2.672 20 0 HFADMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000788305246 1077092979 /nfs/dbraw/zinc/09/29/79/1077092979.db2.gz ONZXRRPLLKEDAP-QMMLZNLJSA-N 1 1 424.545 2.672 20 0 HFADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000746742949 1077114889 /nfs/dbraw/zinc/11/48/89/1077114889.db2.gz ATJMEXGJWNORGU-GJZGRUSLSA-N 1 1 401.442 2.738 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000746744760 1077125824 /nfs/dbraw/zinc/12/58/24/1077125824.db2.gz WRAMMJDOOKTCMA-QZTJIDSGSA-N 1 1 400.454 2.784 20 0 HFADMO C[C@@H](C[NH+]1CCOCC1)N(C)Cn1nc(C2CC2)n(Cc2ccccc2)c1=S ZINC000788377613 1077134358 /nfs/dbraw/zinc/13/43/58/1077134358.db2.gz MPUGWBANIKSRFL-KRWDZBQOSA-N 1 1 401.580 2.950 20 0 HFADMO COc1ccc([C@@H](NC(=O)C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)C(C)C)cc1 ZINC000788473283 1077171096 /nfs/dbraw/zinc/17/10/96/1077171096.db2.gz UVRGDSCZOLKOKI-SFTDATJTSA-N 1 1 400.523 2.677 20 0 HFADMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000788476651 1077172508 /nfs/dbraw/zinc/17/25/08/1077172508.db2.gz SEDSHPBPJOEMHE-OALUTQOASA-N 1 1 410.603 2.556 20 0 HFADMO CCOC(=O)[C@@H]1[C@H](NC[C@@H](c2ccccc2)[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000788504436 1077185276 /nfs/dbraw/zinc/18/52/76/1077185276.db2.gz QFPJKMMBOUBJIN-QYZOEREBSA-N 1 1 405.539 2.820 20 0 HFADMO CC(C)[C@@H](C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1)N1CCN(C)CC1 ZINC000788518785 1077189407 /nfs/dbraw/zinc/18/94/07/1077189407.db2.gz LJWYHDKIWRTXFX-RBBKRZOGSA-N 1 1 402.583 2.902 20 0 HFADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(=O)NCCSC(F)(F)F)cc1 ZINC000788548681 1077197098 /nfs/dbraw/zinc/19/70/98/1077197098.db2.gz SFTIXNOLZMOIAY-LLVKDONJSA-N 1 1 400.426 2.727 20 0 HFADMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000788564584 1077200541 /nfs/dbraw/zinc/20/05/41/1077200541.db2.gz SRLRRRDEGXLZLO-NXHRZFHOSA-N 1 1 409.452 2.764 20 0 HFADMO O=C(NCCSC(F)(F)F)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000788558990 1077201226 /nfs/dbraw/zinc/20/12/26/1077201226.db2.gz XONHZZSQHZAWCF-UHFFFAOYSA-N 1 1 417.497 2.523 20 0 HFADMO CC(C)(C)OC(=O)N1CCC(CCNc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)CC1 ZINC000788528870 1077203504 /nfs/dbraw/zinc/20/35/04/1077203504.db2.gz HSVNJMYUWMEILO-UHFFFAOYSA-N 1 1 416.566 2.979 20 0 HFADMO CC(C)(C)OC(=O)N1CCC(CCNc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)CC1 ZINC000788528870 1077203505 /nfs/dbraw/zinc/20/35/05/1077203505.db2.gz HSVNJMYUWMEILO-UHFFFAOYSA-N 1 1 416.566 2.979 20 0 HFADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CC(=O)NCC(=O)c3cccs3)C2)s1 ZINC001170086777 1077216767 /nfs/dbraw/zinc/21/67/67/1077216767.db2.gz XDPJVFZDYXQMSJ-MRXNPFEDSA-N 1 1 405.589 2.871 20 0 HFADMO COC(=O)c1sc(S(=O)(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(C)c1Cl ZINC000788641534 1077244416 /nfs/dbraw/zinc/24/44/16/1077244416.db2.gz QTIPFGDUDBHQKV-CYBMUJFWSA-N 1 1 420.984 2.849 20 0 HFADMO S=C(NCCC[NH+]1CCOCC1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000788680264 1077248329 /nfs/dbraw/zinc/24/83/29/1077248329.db2.gz RHSHYZCXCXGJLU-OAHLLOKOSA-N 1 1 417.406 2.759 20 0 HFADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000788663819 1077259269 /nfs/dbraw/zinc/25/92/69/1077259269.db2.gz XLRJZTNNAROWDH-HZPDHXFCSA-N 1 1 410.559 2.673 20 0 HFADMO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2COCc3cccc(Cl)c32)cc1 ZINC000788669379 1077260998 /nfs/dbraw/zinc/26/09/98/1077260998.db2.gz NRWJHAGBPYCBSS-SFHVURJKSA-N 1 1 423.918 2.789 20 0 HFADMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cccc(NN4C(=O)[C@@H]5CC=CC[C@@H]5C4=O)c3)CC[C@@H]21 ZINC000788668626 1077261261 /nfs/dbraw/zinc/26/12/61/1077261261.db2.gz QHLBQTJITMAYDC-PBASOCQRSA-N 1 1 422.529 2.521 20 0 HFADMO CCOC(=O)[C@@H]1[C@H](NC[C@H]2CCC[N@@H+](CC(C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000788672881 1077262788 /nfs/dbraw/zinc/26/27/88/1077262788.db2.gz SSKVQOQUFGPOGC-QRVBRYPASA-N 1 1 411.587 2.885 20 0 HFADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000788716348 1077269273 /nfs/dbraw/zinc/26/92/73/1077269273.db2.gz VUUYDIKBUVHAGH-FPOVZHCZSA-N 1 1 400.567 2.941 20 0 HFADMO COc1ccc([C@@H](C)NC(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000746963291 1077276061 /nfs/dbraw/zinc/27/60/61/1077276061.db2.gz ROLFRGNFZIEYJL-QGZVFWFLSA-N 1 1 420.554 2.998 20 0 HFADMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788751394 1077276412 /nfs/dbraw/zinc/27/64/12/1077276412.db2.gz YBKJHMDOVIMGLU-JTJHWIPRSA-N 1 1 400.567 2.795 20 0 HFADMO C[C@@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O)[N@@H+](C)Cc1ccccc1 ZINC000788787821 1077304158 /nfs/dbraw/zinc/30/41/58/1077304158.db2.gz SURQQXDDCFGHNP-UGKGYDQZSA-N 1 1 408.546 2.949 20 0 HFADMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000791191177 1077319764 /nfs/dbraw/zinc/31/97/64/1077319764.db2.gz HWHOAMLXEZUWJC-IBGZPJMESA-N 1 1 408.564 2.813 20 0 HFADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NS(=O)(=O)C1=Cc2ccccc2OC1 ZINC000788897603 1077343436 /nfs/dbraw/zinc/34/34/36/1077343436.db2.gz CLTPBRNDYHMDJO-GOSISDBHSA-N 1 1 413.543 2.550 20 0 HFADMO Cc1c(Cl)c(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)sc1S(N)(=O)=O ZINC000791210140 1077345600 /nfs/dbraw/zinc/34/56/00/1077345600.db2.gz VHCMJCRYTVTEBM-SNVBAGLBSA-N 1 1 407.989 2.598 20 0 HFADMO O=C(/C=C/c1ccc(I)o1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000791260260 1077350935 /nfs/dbraw/zinc/35/09/35/1077350935.db2.gz SXFNYEPMRBWBLD-CDBNLRSOSA-N 1 1 404.223 2.542 20 0 HFADMO O=C(NCc1c[nH+]c2n1CCCC2)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC000791388980 1077396448 /nfs/dbraw/zinc/39/64/48/1077396448.db2.gz JSETVLHBOBBMKI-OAQYLSRUSA-N 1 1 400.454 2.586 20 0 HFADMO C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[C@H](c4ccccc4)C3)cc2)CC1 ZINC000747012867 1077409776 /nfs/dbraw/zinc/40/97/76/1077409776.db2.gz DLHAFBVAVAXWJK-FQEVSTJZSA-N 1 1 406.530 2.783 20 0 HFADMO C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](c4ccccc4)C3)cc2)CC1 ZINC000747012870 1077409781 /nfs/dbraw/zinc/40/97/81/1077409781.db2.gz DLHAFBVAVAXWJK-HXUWFJFHSA-N 1 1 406.530 2.783 20 0 HFADMO Cc1nc(CC2CC2)oc1C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000789148300 1077434879 /nfs/dbraw/zinc/43/48/79/1077434879.db2.gz RKNSSMXONWALKS-UHFFFAOYSA-N 1 1 411.502 2.745 20 0 HFADMO CCOC1CC(CC(=O)OCC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)C1 ZINC000789158477 1077437876 /nfs/dbraw/zinc/43/78/76/1077437876.db2.gz FTXVVSXPDMFQHG-UHFFFAOYSA-N 1 1 402.535 2.778 20 0 HFADMO O=C(Nc1ccccc1O)C1CC[NH+](CCS(=O)(=O)Cc2ccccc2)CC1 ZINC000791470321 1077443682 /nfs/dbraw/zinc/44/36/82/1077443682.db2.gz FEOOBNCOLXPOBM-UHFFFAOYSA-N 1 1 402.516 2.658 20 0 HFADMO C[NH+]1CCN([C@H](CNC(=S)NCCc2ccc(F)cc2)c2cccs2)CC1 ZINC000789175367 1077444318 /nfs/dbraw/zinc/44/43/18/1077444318.db2.gz SUYCZCOINSCJET-GOSISDBHSA-N 1 1 406.596 2.883 20 0 HFADMO C[C@@H](OC(=O)c1cc(Cl)cc(F)c1N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000791475961 1077446695 /nfs/dbraw/zinc/44/66/95/1077446695.db2.gz RMHMQCGUMWLZRD-CJNGLKHVSA-N 1 1 419.884 2.997 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC000789221881 1077449238 /nfs/dbraw/zinc/44/92/38/1077449238.db2.gz IHHFHZVEDHZFAY-XDNAFOTISA-N 1 1 412.575 2.573 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC000789221881 1077449243 /nfs/dbraw/zinc/44/92/43/1077449243.db2.gz IHHFHZVEDHZFAY-XDNAFOTISA-N 1 1 412.575 2.573 20 0 HFADMO COc1cccc(C2=NO[C@H](C(=O)Nc3ccc(N4CCC[N@@H+](C)CC4)cc3)C2)c1 ZINC000791524861 1077454746 /nfs/dbraw/zinc/45/47/46/1077454746.db2.gz NYFGCWZJEGDCTF-QFIPXVFZSA-N 1 1 408.502 2.969 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C[C@H](C)O1 ZINC000789254650 1077475454 /nfs/dbraw/zinc/47/54/54/1077475454.db2.gz ZQUPMYATFJSDSK-ZJPYXAASSA-N 1 1 412.575 2.525 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C[C@H](C)O1 ZINC000789254650 1077475457 /nfs/dbraw/zinc/47/54/57/1077475457.db2.gz ZQUPMYATFJSDSK-ZJPYXAASSA-N 1 1 412.575 2.525 20 0 HFADMO Cc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)[C@H]3CCC(=O)c4cccn43)CC2)cc1 ZINC000789227831 1077483728 /nfs/dbraw/zinc/48/37/28/1077483728.db2.gz MYCDINIIZLZIEL-OAQYLSRUSA-N 1 1 423.513 2.592 20 0 HFADMO C[C@@H](OC(=O)c1cn(C)nc1-c1ccoc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000789262346 1077487579 /nfs/dbraw/zinc/48/75/79/1077487579.db2.gz UMAPVCRMZDMAGM-VQIMIIECSA-N 1 1 422.485 2.616 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCC[N@@H+](C)Cc3ccc(F)cc3)C2)c1 ZINC000791624562 1077491715 /nfs/dbraw/zinc/49/17/15/1077491715.db2.gz MZRAYLROQZKREE-NRFANRHFSA-N 1 1 415.465 2.584 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N(C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000791641817 1077506190 /nfs/dbraw/zinc/50/61/90/1077506190.db2.gz LBDZZSJZFPLPAO-MBSDFSHPSA-N 1 1 423.513 2.930 20 0 HFADMO CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)nc1 ZINC000791647360 1077509830 /nfs/dbraw/zinc/50/98/30/1077509830.db2.gz PDIWSJUPIIAFMI-OALUTQOASA-N 1 1 418.538 2.731 20 0 HFADMO C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)C2)O1 ZINC000789352418 1077513551 /nfs/dbraw/zinc/51/35/51/1077513551.db2.gz NGRRTFFZEMMNBP-NCXUSEDFSA-N 1 1 409.571 2.782 20 0 HFADMO CN1C(=O)C[C@@H](C(=O)OCCC[NH+]2CCOCC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000791656557 1077514511 /nfs/dbraw/zinc/51/45/11/1077514511.db2.gz HSHMKWQEQCISCV-RDTXWAMCSA-N 1 1 415.317 2.778 20 0 HFADMO CC[N@H+]1CCC[C@H]1CNC(=S)Nc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC000789358122 1077515804 /nfs/dbraw/zinc/51/58/04/1077515804.db2.gz PSUGQZUWHHCNII-UWJYYQICSA-N 1 1 415.563 2.682 20 0 HFADMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@](C)(O)CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000791629371 1077519229 /nfs/dbraw/zinc/51/92/29/1077519229.db2.gz VBQVHUGKCTZADG-GHTZIAJQSA-N 1 1 421.925 2.748 20 0 HFADMO CCOC(=O)C1=C(C[N@H+]2CCC[C@@](C)(O)CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000791629371 1077519233 /nfs/dbraw/zinc/51/92/33/1077519233.db2.gz VBQVHUGKCTZADG-GHTZIAJQSA-N 1 1 421.925 2.748 20 0 HFADMO CCOC(=O)C1C(C[N@@H+]2CCC[C@@](C)(O)CC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000791629371 1077519239 /nfs/dbraw/zinc/51/92/39/1077519239.db2.gz VBQVHUGKCTZADG-GHTZIAJQSA-N 1 1 421.925 2.748 20 0 HFADMO CCOC(=O)C1C(C[N@H+]2CCC[C@@](C)(O)CC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000791629371 1077519242 /nfs/dbraw/zinc/51/92/42/1077519242.db2.gz VBQVHUGKCTZADG-GHTZIAJQSA-N 1 1 421.925 2.748 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)C2)c1 ZINC000791707676 1077521756 /nfs/dbraw/zinc/52/17/56/1077521756.db2.gz YCMPTOQLKWLDHB-YTJPUZGESA-N 1 1 423.513 2.834 20 0 HFADMO C[C@H](CN1CCOCC1)[N@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000789333747 1077525508 /nfs/dbraw/zinc/52/55/08/1077525508.db2.gz CTSMZQGTUVDEBQ-GOSISDBHSA-N 1 1 410.518 2.530 20 0 HFADMO C[C@H](CN1CCOCC1)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000789333747 1077525510 /nfs/dbraw/zinc/52/55/10/1077525510.db2.gz CTSMZQGTUVDEBQ-GOSISDBHSA-N 1 1 410.518 2.530 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)nc2C)cc1F ZINC000789390972 1077534208 /nfs/dbraw/zinc/53/42/08/1077534208.db2.gz WLGNCEJUXAAIAX-UHFFFAOYSA-N 1 1 401.829 2.932 20 0 HFADMO C[C@H](NC(=O)c1cccnc1S(=O)(=O)C(F)(F)F)[C@H](c1ccccc1)[NH+](C)C ZINC000791719612 1077539361 /nfs/dbraw/zinc/53/93/61/1077539361.db2.gz NRXHQWHHDQWADJ-SWLSCSKDSA-N 1 1 415.437 2.796 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)c2c(N)c(F)ccc2Br)CC1 ZINC000791827513 1077575631 /nfs/dbraw/zinc/57/56/31/1077575631.db2.gz TXELZGWMRQOESH-UHFFFAOYSA-N 1 1 402.308 2.743 20 0 HFADMO Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000791829128 1077576657 /nfs/dbraw/zinc/57/66/57/1077576657.db2.gz VFMBEPPFVHMJOX-ZWAQGKOVSA-N 1 1 420.492 2.757 20 0 HFADMO CCOc1cn(-c2ccccc2)nc1C(=O)OCCC[NH+]1CCN(C(C)C)CC1 ZINC000791841529 1077580931 /nfs/dbraw/zinc/58/09/31/1077580931.db2.gz FUXVECYEMFRWMJ-UHFFFAOYSA-N 1 1 400.523 2.844 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)c2cc(Br)cc(F)c2N)CC1 ZINC000791899017 1077590192 /nfs/dbraw/zinc/59/01/92/1077590192.db2.gz QCQKXTYCMWVARK-UHFFFAOYSA-N 1 1 402.308 2.743 20 0 HFADMO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791940583 1077600516 /nfs/dbraw/zinc/60/05/16/1077600516.db2.gz VVRGUSGANYACIK-BBQXTPJSSA-N 1 1 413.587 2.835 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@@](C)(O)c2cccc(C(F)(F)F)c2)CC1 ZINC000791941186 1077601410 /nfs/dbraw/zinc/60/14/10/1077601410.db2.gz ZFUKKEFHFXWEIS-IBGZPJMESA-N 1 1 402.457 2.872 20 0 HFADMO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CN1C(=O)N[C@](CC)(c2ccc(CC)cc2)C1=O ZINC000789519615 1077614217 /nfs/dbraw/zinc/61/42/17/1077614217.db2.gz MAKYEHHTTQCMBX-WMZHIEFXSA-N 1 1 414.550 2.744 20 0 HFADMO CCNC(=O)C[C@@H]1CCCC[N@H+]1CN1C(=O)N[C@](CC)(c2ccc(CC)cc2)C1=O ZINC000789519615 1077614219 /nfs/dbraw/zinc/61/42/19/1077614219.db2.gz MAKYEHHTTQCMBX-WMZHIEFXSA-N 1 1 414.550 2.744 20 0 HFADMO COC(=O)/C=C\c1ccc(OCC[N@@H+](C)[C@H]2CCN(Cc3ccccc3)C2=O)cc1 ZINC000789521189 1077615095 /nfs/dbraw/zinc/61/50/95/1077615095.db2.gz LLHPHTPSGHSTPI-JQCPSUHGSA-N 1 1 408.498 2.985 20 0 HFADMO CCNC(=O)C[C@H]1CCCC[N@@H+]1CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000789521377 1077617323 /nfs/dbraw/zinc/61/73/23/1077617323.db2.gz TVZRMCOMESDKAB-YKSBVNFPSA-N 1 1 422.529 2.945 20 0 HFADMO CCNC(=O)C[C@H]1CCCC[N@H+]1CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000789521377 1077617325 /nfs/dbraw/zinc/61/73/25/1077617325.db2.gz TVZRMCOMESDKAB-YKSBVNFPSA-N 1 1 422.529 2.945 20 0 HFADMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)Cn1cnc2c(C)cccc2c1=O ZINC000791979799 1077621244 /nfs/dbraw/zinc/62/12/44/1077621244.db2.gz ABIGACQXAUMAJT-FPOVZHCZSA-N 1 1 402.498 2.848 20 0 HFADMO Cc1nc(Cl)ccc1NC(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000789564823 1077643789 /nfs/dbraw/zinc/64/37/89/1077643789.db2.gz IXDCDBSQMPZWRM-KRWDZBQOSA-N 1 1 400.910 2.962 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCc2cc(-c3ccccc3)no2)CC1 ZINC000792057176 1077664185 /nfs/dbraw/zinc/66/41/85/1077664185.db2.gz IFUJBXBKPQNELH-UHFFFAOYSA-N 1 1 414.506 2.901 20 0 HFADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792059263 1077665948 /nfs/dbraw/zinc/66/59/48/1077665948.db2.gz ZQASFMFOFGMYTK-IBGZPJMESA-N 1 1 410.603 2.558 20 0 HFADMO CC[N@@H+](C)Cc1cccc(CNC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792078803 1077684827 /nfs/dbraw/zinc/68/48/27/1077684827.db2.gz BOQDKUIKTGLNIT-UHFFFAOYSA-N 1 1 418.582 2.697 20 0 HFADMO O=C(NCc1cccc(N2CCOC2=O)c1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792045281 1077691555 /nfs/dbraw/zinc/69/15/55/1077691555.db2.gz CGSPUSLBSJTHPR-FQEVSTJZSA-N 1 1 408.502 2.965 20 0 HFADMO Cc1nccn1-c1ncccc1CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792046489 1077692340 /nfs/dbraw/zinc/69/23/40/1077692340.db2.gz KPNLLBQGNFSVFR-FQEVSTJZSA-N 1 1 404.518 2.897 20 0 HFADMO COc1c(C)cnc(CN(C)C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1C ZINC000792107881 1077699666 /nfs/dbraw/zinc/69/96/66/1077699666.db2.gz UCZFWJUNJQACCS-UHFFFAOYSA-N 1 1 420.554 2.608 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)c2cn(C(C)(C)C)nc2Br)CC1 ZINC000792117989 1077703883 /nfs/dbraw/zinc/70/38/83/1077703883.db2.gz NVCVGKKKMKWKBX-UHFFFAOYSA-N 1 1 415.376 2.974 20 0 HFADMO CC(C)OC(=O)N1CCC(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000792084541 1077708177 /nfs/dbraw/zinc/70/81/77/1077708177.db2.gz RSFDIGWAPBJQKO-BGYRXZFFSA-N 1 1 414.550 2.769 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000792087483 1077710185 /nfs/dbraw/zinc/71/01/85/1077710185.db2.gz CUBVTUVMLAMYNM-LJQANCHMSA-N 1 1 423.598 2.983 20 0 HFADMO C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792130165 1077716974 /nfs/dbraw/zinc/71/69/74/1077716974.db2.gz STVMGMSLBISHEY-QUCCMNQESA-N 1 1 417.550 2.918 20 0 HFADMO C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792142127 1077721091 /nfs/dbraw/zinc/72/10/91/1077721091.db2.gz HBDDIEZLJVOBJU-YSIASYRMSA-N 1 1 416.566 2.921 20 0 HFADMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000792150406 1077723591 /nfs/dbraw/zinc/72/35/91/1077723591.db2.gz QEUDZOCHBSZPMM-GOTSBHOMSA-N 1 1 420.557 2.999 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)c2cc(Br)c(F)cc2N)CC1 ZINC000792121569 1077728368 /nfs/dbraw/zinc/72/83/68/1077728368.db2.gz VCEBGFFYGWFTDW-UHFFFAOYSA-N 1 1 402.308 2.743 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000789667550 1077734504 /nfs/dbraw/zinc/73/45/04/1077734504.db2.gz JCIMOYFZVMGCBJ-NRFANRHFSA-N 1 1 408.546 2.540 20 0 HFADMO COc1cc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc(Cl)c1OCC(N)=O ZINC000792184598 1077737696 /nfs/dbraw/zinc/73/76/96/1077737696.db2.gz TVVQROVXQJNXIO-UHFFFAOYSA-N 1 1 423.872 2.790 20 0 HFADMO COc1cccc(/C=C(\C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)n2nnnc2C)c1 ZINC000746843985 1077740055 /nfs/dbraw/zinc/74/00/55/1077740055.db2.gz KRLVHFVCPAERPK-KGENOOAVSA-N 1 1 412.538 2.567 20 0 HFADMO O=C1O[C@H](C[NH+]2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)CC12CCC2 ZINC000792197869 1077741466 /nfs/dbraw/zinc/74/14/66/1077741466.db2.gz BDYRPDGAADPAQR-KRWDZBQOSA-N 1 1 416.909 2.993 20 0 HFADMO COC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792205551 1077745084 /nfs/dbraw/zinc/74/50/84/1077745084.db2.gz RMRYFWKZKGUSCS-MSOLQXFVSA-N 1 1 406.910 2.658 20 0 HFADMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C(C)C)cc1 ZINC000792221782 1077747451 /nfs/dbraw/zinc/74/74/51/1077747451.db2.gz OSAVJBCLHQEZAH-ICSRJNTNSA-N 1 1 404.507 2.581 20 0 HFADMO C[C@H](O)C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000792222950 1077748434 /nfs/dbraw/zinc/74/84/34/1077748434.db2.gz WDBHSLGZSGJYQL-ICSRJNTNSA-N 1 1 419.566 2.600 20 0 HFADMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000792227111 1077752699 /nfs/dbraw/zinc/75/26/99/1077752699.db2.gz VKCJBDLQBOSNKI-IFMALSPDSA-N 1 1 401.551 2.878 20 0 HFADMO C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CCC2 ZINC000792235177 1077757870 /nfs/dbraw/zinc/75/78/70/1077757870.db2.gz LRKCAFVMGJYWCZ-AWEZNQCLSA-N 1 1 415.925 2.553 20 0 HFADMO Cn1cc([C@H](NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C(C)(C)C)cn1 ZINC000792212710 1077767164 /nfs/dbraw/zinc/76/71/64/1077767164.db2.gz CBLKGVLOZNCSOK-SFHVURJKSA-N 1 1 407.559 2.566 20 0 HFADMO COc1ccc(CCC(=O)N2CCC[N@@H+](C[C@@H]3CC4(CCC4)C(=O)O3)CC2)cc1 ZINC000792215322 1077769806 /nfs/dbraw/zinc/76/98/06/1077769806.db2.gz OCARPPSJAAPORU-FQEVSTJZSA-N 1 1 400.519 2.648 20 0 HFADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C ZINC000792250644 1077771421 /nfs/dbraw/zinc/77/14/21/1077771421.db2.gz KQCPCPJWDSLQLC-MJGOQNOKSA-N 1 1 419.570 2.991 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000792293751 1077778547 /nfs/dbraw/zinc/77/85/47/1077778547.db2.gz KGNOWJWKWFDXIO-PZJWPPBQSA-N 1 1 417.550 2.823 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@H]3CCC[N@@H+](CC(C)C)C3)C2)c1 ZINC000792265424 1077787122 /nfs/dbraw/zinc/78/71/22/1077787122.db2.gz XGQHWNKZVSPASO-IIBYNOLFSA-N 1 1 403.523 2.681 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCC[C@H](C[C@H]3CCOC3)C2)CC1 ZINC000792300577 1077795870 /nfs/dbraw/zinc/79/58/70/1077795870.db2.gz RQVFIIPEHUOPRA-RTBURBONSA-N 1 1 409.571 2.594 20 0 HFADMO Cn1cnc2cc(C(=O)OCC[N@@H+]3CCCN(C(=O)OC(C)(C)C)CC3)ccc21 ZINC000789791458 1077797567 /nfs/dbraw/zinc/79/75/67/1077797567.db2.gz DPFKBVNGSDDKLJ-UHFFFAOYSA-N 1 1 402.495 2.673 20 0 HFADMO Cn1cnc2cc(C(=O)OCC[N@H+]3CCCN(C(=O)OC(C)(C)C)CC3)ccc21 ZINC000789791458 1077797578 /nfs/dbraw/zinc/79/75/78/1077797578.db2.gz DPFKBVNGSDDKLJ-UHFFFAOYSA-N 1 1 402.495 2.673 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCc3ccc(C)[nH+]c3N3CCCC3)C2)c1 ZINC000792308439 1077799927 /nfs/dbraw/zinc/79/99/27/1077799927.db2.gz ZUCQNFZRQKCLFG-NRFANRHFSA-N 1 1 424.501 2.817 20 0 HFADMO C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000792347389 1077810393 /nfs/dbraw/zinc/81/03/93/1077810393.db2.gz KGKKLSSSPVYCFR-QGZVFWFLSA-N 1 1 409.534 2.764 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2cc3c(cc2F)NC(=O)CC3)CC1 ZINC000792338810 1077825584 /nfs/dbraw/zinc/82/55/84/1077825584.db2.gz NRICQQFILOXRER-UHFFFAOYSA-N 1 1 420.485 2.592 20 0 HFADMO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000792386838 1077829811 /nfs/dbraw/zinc/82/98/11/1077829811.db2.gz VSUBDOCMVKUJQU-ZDUSSCGKSA-N 1 1 404.417 2.940 20 0 HFADMO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000792388797 1077830974 /nfs/dbraw/zinc/83/09/74/1077830974.db2.gz NCJCQRIPOYTMCO-KRWDZBQOSA-N 1 1 418.465 2.715 20 0 HFADMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)C(=O)N1CCC2(CCCC2)C1 ZINC000789895593 1077853177 /nfs/dbraw/zinc/85/31/77/1077853177.db2.gz KGHYJQWPXLBUJI-UHFFFAOYSA-N 1 1 405.489 2.838 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000789897372 1077854251 /nfs/dbraw/zinc/85/42/51/1077854251.db2.gz HRSQVHJUPCXMQH-HXUWFJFHSA-N 1 1 405.502 2.748 20 0 HFADMO CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000792497194 1077867354 /nfs/dbraw/zinc/86/73/54/1077867354.db2.gz ZRRGGCDSPUJIDG-WOJBJXKFSA-N 1 1 417.550 2.651 20 0 HFADMO CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792497369 1077867985 /nfs/dbraw/zinc/86/79/85/1077867985.db2.gz JGAWETVTTLKHAL-MSOLQXFVSA-N 1 1 405.564 2.935 20 0 HFADMO C[C@@H](CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)NC(=O)OC(C)(C)C ZINC000792512335 1077881432 /nfs/dbraw/zinc/88/14/32/1077881432.db2.gz MTKDDRVQONDGKI-YESZJQIVSA-N 1 1 405.539 2.939 20 0 HFADMO C[C@@H](CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)NC(=O)OC(C)(C)C ZINC000792512335 1077881439 /nfs/dbraw/zinc/88/14/39/1077881439.db2.gz MTKDDRVQONDGKI-YESZJQIVSA-N 1 1 405.539 2.939 20 0 HFADMO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000746868328 1077886960 /nfs/dbraw/zinc/88/69/60/1077886960.db2.gz WQBFEMZIUSNHTL-QHCPKHFHSA-N 1 1 410.518 2.644 20 0 HFADMO C[C@H](CNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000790031160 1077903780 /nfs/dbraw/zinc/90/37/80/1077903780.db2.gz FHYUWJQBHBMCJT-WOJBJXKFSA-N 1 1 414.594 2.572 20 0 HFADMO CC[C@H]1C[C@@H]([N@H+]2CC[C@@H]3CN(CCc4ccccc4)S(=O)(=O)[C@@H]3CC2)CCO1 ZINC001170214086 1077908772 /nfs/dbraw/zinc/90/87/72/1077908772.db2.gz MMWMWGFSSKMUCO-CLAROIROSA-N 1 1 406.592 2.913 20 0 HFADMO CCCCNC(=O)OC[C@H]1CCCC[N@H+]1C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001170218970 1077910261 /nfs/dbraw/zinc/91/02/61/1077910261.db2.gz XLDSGSSXUCYXHR-SJORKVTESA-N 1 1 401.548 2.595 20 0 HFADMO Cc1c[nH+]ccc1OC1CCN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000772800191 1077911511 /nfs/dbraw/zinc/91/15/11/1077911511.db2.gz SONIBYZLQRYXJQ-UHFFFAOYSA-N 1 1 424.469 2.999 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@H+]1CCCn2cnc(COCC(=O)N(C)C)c2C1 ZINC001170273999 1077925787 /nfs/dbraw/zinc/92/57/87/1077925787.db2.gz OZALASDBEYLSRB-MRXNPFEDSA-N 1 1 404.942 2.978 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@H+]1C[C@@H]2COC[C@@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001170275363 1077926503 /nfs/dbraw/zinc/92/65/03/1077926503.db2.gz GPSATDLCEBBDHK-VDHUWJSZSA-N 1 1 400.910 2.894 20 0 HFADMO O=C(CCn1c(=O)c2ccccc2[nH]c1=S)NC1CC[NH+](C2CCCCC2)CC1 ZINC000746875040 1077933486 /nfs/dbraw/zinc/93/34/86/1077933486.db2.gz QBHRRTKLHXLFIZ-UHFFFAOYSA-N 1 1 414.575 2.989 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@@H+]1CCCn2c(=O)cc(CNC(=O)C3CC3)nc2C1 ZINC001170285260 1077937685 /nfs/dbraw/zinc/93/76/85/1077937685.db2.gz RYSPDGFSNGYECT-OAHLLOKOSA-N 1 1 414.937 2.760 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@H+]1CCCn2c(=O)cc(CNC(=O)C3CC3)nc2C1 ZINC001170285260 1077937688 /nfs/dbraw/zinc/93/76/88/1077937688.db2.gz RYSPDGFSNGYECT-OAHLLOKOSA-N 1 1 414.937 2.760 20 0 HFADMO COC(=O)c1ccc(CNC(=O)[C@H](C)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)cc1 ZINC001170334264 1077946380 /nfs/dbraw/zinc/94/63/80/1077946380.db2.gz YZCJPTRPUGGOQF-PMACEKPBSA-N 1 1 423.557 2.932 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)C[C@H](C)O1 ZINC000790129132 1077951581 /nfs/dbraw/zinc/95/15/81/1077951581.db2.gz XDXIHSHRKURFLV-ZIFCJYIRSA-N 1 1 405.539 2.820 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)C[C@H](C)O1 ZINC000790129132 1077951583 /nfs/dbraw/zinc/95/15/83/1077951583.db2.gz XDXIHSHRKURFLV-ZIFCJYIRSA-N 1 1 405.539 2.820 20 0 HFADMO C[C@@H]1CC[C@@H](NC(=O)[C@]2([NH+](C)C)COc3ccccc3C2)CN1C(=O)OC(C)(C)C ZINC001170348571 1077955330 /nfs/dbraw/zinc/95/53/30/1077955330.db2.gz NEXOASFDXFWYLQ-JTUHZDRVSA-N 1 1 417.550 2.826 20 0 HFADMO CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC001170349964 1077955567 /nfs/dbraw/zinc/95/55/67/1077955567.db2.gz VSTOJBHBYKDSBJ-ROUUACIJSA-N 1 1 407.555 2.536 20 0 HFADMO COc1ccc(-c2csc(NC(=O)[C@H](C)N3C[C@@H](C)[N@H+](CCO)[C@@H](C)C3)n2)cc1 ZINC001170351588 1077956328 /nfs/dbraw/zinc/95/63/28/1077956328.db2.gz MAEPQKGDOMXSMI-XHSDSOJGSA-N 1 1 418.563 2.533 20 0 HFADMO CCOc1cc2c(cc1/C=C\C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)O[C@H](C)C2 ZINC000790123511 1077958384 /nfs/dbraw/zinc/95/83/84/1077958384.db2.gz FUTZASKIYQAPFY-ZPUOCTKUSA-N 1 1 402.535 2.991 20 0 HFADMO CCOc1cc2c(cc1/C=C\C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)O[C@H](C)C2 ZINC000790123511 1077958385 /nfs/dbraw/zinc/95/83/85/1077958385.db2.gz FUTZASKIYQAPFY-ZPUOCTKUSA-N 1 1 402.535 2.991 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000790122947 1077958641 /nfs/dbraw/zinc/95/86/41/1077958641.db2.gz WFKOSOXZTLPIIR-UHFFFAOYSA-N 1 1 405.539 2.894 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000790122947 1077958645 /nfs/dbraw/zinc/95/86/45/1077958645.db2.gz WFKOSOXZTLPIIR-UHFFFAOYSA-N 1 1 405.539 2.894 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)C[C@H](C)O1 ZINC000790124682 1077958907 /nfs/dbraw/zinc/95/89/07/1077958907.db2.gz BENPSMYCKDOLEV-CUYMVUPESA-N 1 1 413.562 2.506 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)C[C@H](C)O1 ZINC000790124682 1077958910 /nfs/dbraw/zinc/95/89/10/1077958910.db2.gz BENPSMYCKDOLEV-CUYMVUPESA-N 1 1 413.562 2.506 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000790123945 1077959123 /nfs/dbraw/zinc/95/91/23/1077959123.db2.gz GUWMQXZGZYDBTD-SILNSSARSA-N 1 1 411.502 2.620 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000790123945 1077959124 /nfs/dbraw/zinc/95/91/24/1077959124.db2.gz GUWMQXZGZYDBTD-SILNSSARSA-N 1 1 411.502 2.620 20 0 HFADMO O=C(CC[NH+]1CCN(c2ncns2)CC1)NC(c1ccccc1)c1ccccc1 ZINC001170398578 1077961056 /nfs/dbraw/zinc/96/10/56/1077961056.db2.gz FPJHKSXAIZWNIY-UHFFFAOYSA-N 1 1 407.543 2.956 20 0 HFADMO Cc1ccc(CCC(=O)OCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1Cl ZINC000792755494 1077986773 /nfs/dbraw/zinc/98/67/73/1077986773.db2.gz GYWHZXLMVVCACQ-SFHVURJKSA-N 1 1 410.942 2.597 20 0 HFADMO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)cn1 ZINC000790266614 1077990672 /nfs/dbraw/zinc/99/06/72/1077990672.db2.gz HXVQYGNVXRTQGP-GCJKJVERSA-N 1 1 424.549 2.989 20 0 HFADMO O=C(CC[N@H+]1CCC[C@@H](Cc2ccccc2)C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000772752552 1077992666 /nfs/dbraw/zinc/99/26/66/1077992666.db2.gz YOERXQYPWOOBTC-IBGZPJMESA-N 1 1 412.534 2.617 20 0 HFADMO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1CCN(C2CCOCC2)C1=O ZINC000790312733 1077994580 /nfs/dbraw/zinc/99/45/80/1077994580.db2.gz RVHVWJVEKVRHQZ-ZCTYVAAUSA-N 1 1 407.555 2.677 20 0 HFADMO CC(C)(C)OC(=O)N1CCC([N@@H+](C2CC2)[C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000790313719 1077994639 /nfs/dbraw/zinc/99/46/39/1077994639.db2.gz BBJPLJVMWJNULJ-LJQANCHMSA-N 1 1 407.555 2.630 20 0 HFADMO CCOc1ccccc1C[N@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000747089368 1078012029 /nfs/dbraw/zinc/01/20/29/1078012029.db2.gz ALBHYJJHVOYYEQ-SFHVURJKSA-N 1 1 405.539 2.938 20 0 HFADMO CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000792880771 1078016629 /nfs/dbraw/zinc/01/66/29/1078016629.db2.gz VAXSYZZMXJHAKA-NHCUHLMSSA-N 1 1 419.566 2.503 20 0 HFADMO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC(Oc3ccc(F)nc3)CC2)[C@H](C)C1 ZINC000790377159 1078018397 /nfs/dbraw/zinc/01/83/97/1078018397.db2.gz WPZICWPRDRWGLF-XLIONFOSSA-N 1 1 422.545 2.911 20 0 HFADMO COCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1 ZINC000792911389 1078023535 /nfs/dbraw/zinc/02/35/35/1078023535.db2.gz XEGQQQXEISEEFS-AEFFLSMTSA-N 1 1 401.334 2.844 20 0 HFADMO COCCOc1ccc(CNC(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1 ZINC000792911389 1078023537 /nfs/dbraw/zinc/02/35/37/1078023537.db2.gz XEGQQQXEISEEFS-AEFFLSMTSA-N 1 1 401.334 2.844 20 0 HFADMO COc1cccc([C@H](C)[NH+]2CCN(C[C@@H](O)CCNC(=O)OC(C)(C)C)CC2)c1 ZINC000792971984 1078030008 /nfs/dbraw/zinc/03/00/08/1078030008.db2.gz DZCCDPHSKMVSKH-HKUYNNGSSA-N 1 1 407.555 2.650 20 0 HFADMO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)C(=O)Nc1cccc(F)n1 ZINC000792978780 1078031682 /nfs/dbraw/zinc/03/16/82/1078031682.db2.gz BPKPSGBDZHIKNB-MRXNPFEDSA-N 1 1 404.873 2.984 20 0 HFADMO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)C(=O)Nc1cccc(F)n1 ZINC000792978780 1078031687 /nfs/dbraw/zinc/03/16/87/1078031687.db2.gz BPKPSGBDZHIKNB-MRXNPFEDSA-N 1 1 404.873 2.984 20 0 HFADMO CC[N@@H+](C)C[C@H]1CCN(Cn2ncc3c2ccc(Br)c3C(=O)OC)C1 ZINC000790443228 1078032952 /nfs/dbraw/zinc/03/29/52/1078032952.db2.gz JTCQDLIYOUZNOA-CYBMUJFWSA-N 1 1 409.328 2.817 20 0 HFADMO COC(=O)C[C@@H]1CCC[N@H+]1Cn1ncc2c1ccc(Br)c2C(=O)OC ZINC000790443540 1078033470 /nfs/dbraw/zinc/03/34/70/1078033470.db2.gz XCNAASDNVMGXBF-NSHDSACASA-N 1 1 410.268 2.570 20 0 HFADMO COc1ccc2c(c1)C(=O)N(C[NH+]1CCC(n3cc(Br)cn3)CC1)C2 ZINC000790447887 1078034753 /nfs/dbraw/zinc/03/47/53/1078034753.db2.gz WPJJLAGIYRTGIN-UHFFFAOYSA-N 1 1 405.296 2.905 20 0 HFADMO O=C(OCc1ccccc1)N1CCC([NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000790471051 1078038808 /nfs/dbraw/zinc/03/88/08/1078038808.db2.gz GLGWZSRQKIRPDR-VXKWHMMOSA-N 1 1 401.551 2.755 20 0 HFADMO COCC[N@H+](CN1C(=O)N[C@](C)(Cc2ccc(OC)cc2)C1=O)[C@@H]1CC[C@H](C)C1 ZINC000790477053 1078040174 /nfs/dbraw/zinc/04/01/74/1078040174.db2.gz FGNYKKFEHVALAP-AQOAWAETSA-N 1 1 403.523 2.643 20 0 HFADMO COCC[N@@H+](CN1C(=O)N[C@](C)(Cc2ccc(OC)cc2)C1=O)[C@@H]1CC[C@H](C)C1 ZINC000790477053 1078040178 /nfs/dbraw/zinc/04/01/78/1078040178.db2.gz FGNYKKFEHVALAP-AQOAWAETSA-N 1 1 403.523 2.643 20 0 HFADMO O=C(NC[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1)OCc1ccccc1 ZINC000792984990 1078040866 /nfs/dbraw/zinc/04/08/66/1078040866.db2.gz MCPGOEWMJMCYQC-MOPGFXCFSA-N 1 1 400.523 2.571 20 0 HFADMO CNC(=O)OC[C@@H]1CCCCN1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000806244067 1079519976 /nfs/dbraw/zinc/51/99/76/1079519976.db2.gz WOGMIVZIFCJBBL-KRWDZBQOSA-N 1 1 406.552 2.978 20 0 HFADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000806254062 1079522231 /nfs/dbraw/zinc/52/22/31/1079522231.db2.gz QKBQOKIKVURGES-NRFANRHFSA-N 1 1 414.594 2.839 20 0 HFADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000806254049 1079522293 /nfs/dbraw/zinc/52/22/93/1079522293.db2.gz YLSTUEXFDXOKIQ-LEWJYISDSA-N 1 1 401.551 2.651 20 0 HFADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCc1ccc(Br)cc1F ZINC000806254293 1079523805 /nfs/dbraw/zinc/52/38/05/1079523805.db2.gz UGPWKBULNMZLQJ-HNNXBMFYSA-N 1 1 414.319 2.585 20 0 HFADMO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000806301774 1079554116 /nfs/dbraw/zinc/55/41/16/1079554116.db2.gz WLPUFMZQYKPKBU-UIFIKXQLSA-N 1 1 423.561 2.737 20 0 HFADMO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)CCC2 ZINC000806298153 1079585802 /nfs/dbraw/zinc/58/58/02/1079585802.db2.gz ZCPWEVFOCRKJGT-LJQANCHMSA-N 1 1 403.571 2.536 20 0 HFADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)C1 ZINC000806321837 1079593069 /nfs/dbraw/zinc/59/30/69/1079593069.db2.gz AVIHDTQBZUIZMW-VQTJNVASSA-N 1 1 424.586 2.576 20 0 HFADMO Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)no1 ZINC001130610891 1079630528 /nfs/dbraw/zinc/63/05/28/1079630528.db2.gz WSUCSERJOFBDLF-HRAATJIYSA-N 1 1 416.547 2.824 20 0 HFADMO COCC1(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000806427683 1079673877 /nfs/dbraw/zinc/67/38/77/1079673877.db2.gz NDQJJVSGITZJGL-ROUUACIJSA-N 1 1 424.586 2.576 20 0 HFADMO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000806434514 1079682186 /nfs/dbraw/zinc/68/21/86/1079682186.db2.gz NDMXXWFUDPSSEF-XLIONFOSSA-N 1 1 402.539 2.743 20 0 HFADMO C[C@@]1(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)CC(c2ccccc2Cl)=NO1 ZINC000806434583 1079682723 /nfs/dbraw/zinc/68/27/23/1079682723.db2.gz OXMIXIMPINRTEN-KKSFZXQISA-N 1 1 405.926 2.936 20 0 HFADMO Cn1[nH]cc2c(=NC(=O)N3CC[C@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)ccnc1-2 ZINC000806488257 1079772967 /nfs/dbraw/zinc/77/29/67/1079772967.db2.gz KLGOLMDYGBSQOF-HSZRJFAPSA-N 1 1 404.518 2.862 20 0 HFADMO Cc1c(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nnn1CCOc1ccc(F)cc1 ZINC000806524826 1079800766 /nfs/dbraw/zinc/80/07/66/1079800766.db2.gz HTPVSXCGYMEERR-JWTNVVGKSA-N 1 1 416.501 2.894 20 0 HFADMO COC(=O)[C@]1(NC(=O)c2cc(C)cc(Cl)n2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001130660744 1079808144 /nfs/dbraw/zinc/80/81/44/1079808144.db2.gz NHFZFNGJYOFACN-NRFANRHFSA-N 1 1 401.894 2.981 20 0 HFADMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H](C)O1 ZINC000806587799 1079862665 /nfs/dbraw/zinc/86/26/65/1079862665.db2.gz JJPJBFCQLYDLHT-NCXUSEDFSA-N 1 1 409.571 2.734 20 0 HFADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000806651645 1079871329 /nfs/dbraw/zinc/87/13/29/1079871329.db2.gz PETZZNKOTWWDEZ-XIRDDKMYSA-N 1 1 411.522 2.817 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000747341999 1079873852 /nfs/dbraw/zinc/87/38/52/1079873852.db2.gz JIVMWTSEYNLECZ-QZNHQXDQSA-N 1 1 404.514 2.973 20 0 HFADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@](C(=O)OC)(C(F)(F)F)C2)c1 ZINC000806634189 1079889750 /nfs/dbraw/zinc/88/97/50/1079889750.db2.gz GJGFHTHFVCXXOI-SFHVURJKSA-N 1 1 401.429 2.775 20 0 HFADMO O=C(N[C@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl)N1CC[NH+](CCO)CC1 ZINC000806676453 1079908552 /nfs/dbraw/zinc/90/85/52/1079908552.db2.gz AUTVCFAUUOVHTJ-OAHLLOKOSA-N 1 1 419.740 2.899 20 0 HFADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)cc1 ZINC000806728312 1079951809 /nfs/dbraw/zinc/95/18/09/1079951809.db2.gz KEGWFDZXISISON-MRXNPFEDSA-N 1 1 420.513 2.902 20 0 HFADMO CCN(C(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000806727946 1079952421 /nfs/dbraw/zinc/95/24/21/1079952421.db2.gz GCVUTIQMCIITTM-QFIPXVFZSA-N 1 1 423.557 2.653 20 0 HFADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000806730376 1079955091 /nfs/dbraw/zinc/95/50/91/1079955091.db2.gz OTEAJZXNCGQJGB-NRFANRHFSA-N 1 1 423.557 2.511 20 0 HFADMO CC(=O)Nc1ccc(CC(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001130733063 1079971426 /nfs/dbraw/zinc/97/14/26/1079971426.db2.gz IIRFNBQUPOGJMM-PKTZIBPZSA-N 1 1 407.514 2.689 20 0 HFADMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000806790200 1080011416 /nfs/dbraw/zinc/01/14/16/1080011416.db2.gz SMRKARQKVGMSHJ-QUCCMNQESA-N 1 1 403.954 2.837 20 0 HFADMO Cc1nn(C)c2nc(C)c(CC(=O)N3CC[N@H+](C)C[C@H]3Cc3ccccc3)c(C)c12 ZINC001130752527 1080023227 /nfs/dbraw/zinc/02/32/27/1080023227.db2.gz UCRVIPSOYHUPAW-HXUWFJFHSA-N 1 1 405.546 2.821 20 0 HFADMO Cc1nn(C)c2nc(C)c(CC(=O)N3CC[N@@H+](C)C[C@H]3Cc3ccccc3)c(C)c12 ZINC001130752527 1080023235 /nfs/dbraw/zinc/02/32/35/1080023235.db2.gz UCRVIPSOYHUPAW-HXUWFJFHSA-N 1 1 405.546 2.821 20 0 HFADMO CCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000806811945 1080025545 /nfs/dbraw/zinc/02/55/45/1080025545.db2.gz YVRKBVNURJKWQJ-VQTJNVASSA-N 1 1 402.539 2.961 20 0 HFADMO CC(C)(O)c1cccc(NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC000806887642 1080084587 /nfs/dbraw/zinc/08/45/87/1080084587.db2.gz CBFXCBUEWFULAE-UHFFFAOYSA-N 1 1 409.530 2.976 20 0 HFADMO CC(C)(O)c1cccc(NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC000806887642 1080084593 /nfs/dbraw/zinc/08/45/93/1080084593.db2.gz CBFXCBUEWFULAE-UHFFFAOYSA-N 1 1 409.530 2.976 20 0 HFADMO CN(C)c1[nH+]cc(CNC(=O)N2CCCC[C@@H]2COC(=O)NC2CCCCC2)n1C ZINC000806929586 1080096702 /nfs/dbraw/zinc/09/67/02/1080096702.db2.gz QJFDBUIPZLPOIN-QGZVFWFLSA-N 1 1 420.558 2.609 20 0 HFADMO CCC[C@H]1CN(C(=O)C(=O)Nc2ccc3cc(OC)ccc3c2)CC[N@@H+]1CCOC ZINC000806953873 1080164622 /nfs/dbraw/zinc/16/46/22/1080164622.db2.gz GPAHXNTXHLJVCK-FQEVSTJZSA-N 1 1 413.518 2.746 20 0 HFADMO CCC[C@H]1CN(C(=O)C(=O)Nc2ccc3cc(OC)ccc3c2)CC[N@H+]1CCOC ZINC000806953873 1080164623 /nfs/dbraw/zinc/16/46/23/1080164623.db2.gz GPAHXNTXHLJVCK-FQEVSTJZSA-N 1 1 413.518 2.746 20 0 HFADMO COC(=O)[C@@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1)c1ccccc1Br ZINC001130811070 1080188322 /nfs/dbraw/zinc/18/83/22/1080188322.db2.gz QADSVNUZILYWJR-INIZCTEOSA-N 1 1 415.247 2.674 20 0 HFADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3ccc(C(OC)OC)o3)cc2)CC1 ZINC000807020264 1080215794 /nfs/dbraw/zinc/21/57/94/1080215794.db2.gz JJQPBZOAWBZOMN-UHFFFAOYSA-N 1 1 415.490 2.530 20 0 HFADMO CSCC[C@H](C)NC(=O)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000807054575 1080237899 /nfs/dbraw/zinc/23/78/99/1080237899.db2.gz MLFLTGXYUXPIHE-SFHVURJKSA-N 1 1 403.592 2.759 20 0 HFADMO CC[C@@H](NC(=O)c1cnc(C2OCCO2)s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000807070251 1080253112 /nfs/dbraw/zinc/25/31/12/1080253112.db2.gz SDRJCQVIFDXDOW-IAGOWNOFSA-N 1 1 417.531 2.598 20 0 HFADMO CC[C@@H](NC(=O)c1cnc(C2OCCO2)s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000807070251 1080253118 /nfs/dbraw/zinc/25/31/18/1080253118.db2.gz SDRJCQVIFDXDOW-IAGOWNOFSA-N 1 1 417.531 2.598 20 0 HFADMO CN(C(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000807071701 1080254193 /nfs/dbraw/zinc/25/41/93/1080254193.db2.gz ADCZAPWEBIYXBQ-VGOFRKELSA-N 1 1 418.969 2.850 20 0 HFADMO CN(C(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000807071701 1080254195 /nfs/dbraw/zinc/25/41/95/1080254195.db2.gz ADCZAPWEBIYXBQ-VGOFRKELSA-N 1 1 418.969 2.850 20 0 HFADMO C[C@H](C(=O)N1C[C@H]([NH+](C)C)CCc2ccccc21)S(=O)(=O)c1ccc(F)cc1 ZINC001130839744 1080265398 /nfs/dbraw/zinc/26/53/98/1080265398.db2.gz DUHZMFMJQORYKC-CRAIPNDOSA-N 1 1 404.507 2.898 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000807113972 1080290528 /nfs/dbraw/zinc/29/05/28/1080290528.db2.gz JIWQMWYKYJCLSA-LPHOPBHVSA-N 1 1 414.937 2.686 20 0 HFADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N(C)CCc1ccccc1F ZINC000807114674 1080291541 /nfs/dbraw/zinc/29/15/41/1080291541.db2.gz YUSKBROQSIPJAQ-AVRDEDQJSA-N 1 1 411.521 2.853 20 0 HFADMO CC[N@@H+](CCNC(=O)N1CCN(c2ccc(C)cc2)C(=O)C1)CCC(F)(F)F ZINC000807176511 1080297431 /nfs/dbraw/zinc/29/74/31/1080297431.db2.gz DJYQBXWRWQGBPC-UHFFFAOYSA-N 1 1 400.445 2.628 20 0 HFADMO CCOC(=O)N1CCC([C@@H](C)NC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000807149586 1080306886 /nfs/dbraw/zinc/30/68/86/1080306886.db2.gz FCTWXWOAMIFMPA-WIYYLYMNSA-N 1 1 416.566 2.812 20 0 HFADMO CCOC(=O)N1CCC([C@@H](C)NC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000807149586 1080306890 /nfs/dbraw/zinc/30/68/90/1080306890.db2.gz FCTWXWOAMIFMPA-WIYYLYMNSA-N 1 1 416.566 2.812 20 0 HFADMO CN(C)C(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000807187513 1080380418 /nfs/dbraw/zinc/38/04/18/1080380418.db2.gz DRDKNFBIQKXVAS-VQTJNVASSA-N 1 1 402.539 2.771 20 0 HFADMO C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+]3CCC[C@@H](c4ccccn4)C3)CC2)C1 ZINC001170519720 1080403450 /nfs/dbraw/zinc/40/34/50/1080403450.db2.gz RCEWYVQLASRNEB-PZJWPPBQSA-N 1 1 412.578 2.758 20 0 HFADMO O=C(NCCO[C@@H]1CC1(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001130894628 1080425951 /nfs/dbraw/zinc/42/59/51/1080425951.db2.gz RMXGQYWIDZLBRD-XUVXKRRUSA-N 1 1 401.457 2.838 20 0 HFADMO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC001130895328 1080431032 /nfs/dbraw/zinc/43/10/32/1080431032.db2.gz MMMTXTPIUYIFLJ-CQSZACIVSA-N 1 1 415.987 2.972 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000807394349 1080560685 /nfs/dbraw/zinc/56/06/85/1080560685.db2.gz JXGAJZUIAHLQET-SFHVURJKSA-N 1 1 418.538 2.640 20 0 HFADMO CCOC(=O)C1=C(Nc2ccc(OC)cc2C(N)=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001170522467 1080576896 /nfs/dbraw/zinc/57/68/96/1080576896.db2.gz LFADEKMDFRNOGZ-UHFFFAOYSA-N 1 1 409.486 2.929 20 0 HFADMO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccc(O)c(S(=O)(=O)NC)c2)cc1 ZINC000807385429 1080581307 /nfs/dbraw/zinc/58/13/07/1080581307.db2.gz OOSJJARPURGQTC-UHFFFAOYSA-N 1 1 405.520 2.785 20 0 HFADMO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccc(O)c(S(=O)(=O)NC)c2)cc1 ZINC000807385429 1080581314 /nfs/dbraw/zinc/58/13/14/1080581314.db2.gz OOSJJARPURGQTC-UHFFFAOYSA-N 1 1 405.520 2.785 20 0 HFADMO CCOC(=O)C1=C(Nc2cccc3c2CC(=O)NC3)CC[N@@H+](Cc2ccccc2)C1 ZINC001170522668 1080583927 /nfs/dbraw/zinc/58/39/27/1080583927.db2.gz PXHCVYMAXDXYMJ-UHFFFAOYSA-N 1 1 405.498 2.994 20 0 HFADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NCC(F)(F)Br)cc2)C1 ZINC000807446146 1080666360 /nfs/dbraw/zinc/66/63/60/1080666360.db2.gz HZSSKAGLJRYOAP-GFCCVEGCSA-N 1 1 418.282 2.961 20 0 HFADMO Cc1nc(-c2ccccc2NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)no1 ZINC000807542889 1080759334 /nfs/dbraw/zinc/75/93/34/1080759334.db2.gz GJTFUEMRPZABPH-HNAYVOBHSA-N 1 1 419.485 2.763 20 0 HFADMO O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000747405377 1080797922 /nfs/dbraw/zinc/79/79/22/1080797922.db2.gz LUHCGLGMJLAINI-KRWDZBQOSA-N 1 1 415.431 2.707 20 0 HFADMO O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000747405377 1080797932 /nfs/dbraw/zinc/79/79/32/1080797932.db2.gz LUHCGLGMJLAINI-KRWDZBQOSA-N 1 1 415.431 2.707 20 0 HFADMO COC[C@]1(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CCCN1C(=O)OC(C)(C)C ZINC000807554380 1080803275 /nfs/dbraw/zinc/80/32/75/1080803275.db2.gz TWRHDXLVJYLNTC-NPPFBWRTSA-N 1 1 424.586 2.528 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1 ZINC000807558325 1080808948 /nfs/dbraw/zinc/80/89/48/1080808948.db2.gz AJPYQGUTQHKFMM-IBGZPJMESA-N 1 1 416.953 2.932 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000807558752 1080812896 /nfs/dbraw/zinc/81/28/96/1080812896.db2.gz GPPVPMGPCAIGCD-FUHWJXTLSA-N 1 1 414.937 2.686 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC000807560926 1080816696 /nfs/dbraw/zinc/81/66/96/1080816696.db2.gz XLLFJPZBEFUOQV-IBGZPJMESA-N 1 1 414.937 2.686 20 0 HFADMO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nc(Cc3cccc(F)c3)no2)cc1OC ZINC001308116539 1126163147 /nfs/dbraw/zinc/16/31/47/1126163147.db2.gz GWHQLMJYZNPQRY-JOCHJYFZSA-N 1 1 415.465 2.900 20 0 HFADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncnc3cc4c(cc31)OCCO4)CC2 ZINC001164647497 719308549 /nfs/dbraw/zinc/30/85/49/719308549.db2.gz MUMWWKBUBUUARG-UHFFFAOYSA-N 1 1 408.506 2.803 20 0 HFADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc(C(=O)NC3CCCC3)nn1)CC2 ZINC001164651277 719316454 /nfs/dbraw/zinc/31/64/54/719316454.db2.gz ITFZUZKPKMAPEI-UHFFFAOYSA-N 1 1 411.554 2.551 20 0 HFADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(Cl)nc3c1CN(C)CC3)CC2 ZINC001164653408 719317547 /nfs/dbraw/zinc/31/75/47/719317547.db2.gz MLMBWSLBOGQVAG-UHFFFAOYSA-N 1 1 403.962 2.520 20 0 HFADMO CCc1nc2sc3c(c2c(N2CCC4(CCC[N@H+]4CC(=O)NC)CC2)n1)CCC3 ZINC001164689601 719739397 /nfs/dbraw/zinc/73/93/97/719739397.db2.gz IYRUDFRROBPMKL-UHFFFAOYSA-N 1 1 413.591 2.923 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(-c3ccccn3)nc3ccccc31)CC2 ZINC001164689524 719739635 /nfs/dbraw/zinc/73/96/35/719739635.db2.gz GGMPMCOPQYLFIZ-UHFFFAOYSA-N 1 1 416.529 2.873 20 0 HFADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2sc(C)c(C)c21 ZINC001164698655 719843464 /nfs/dbraw/zinc/84/34/64/719843464.db2.gz GPTRYTOWMMBCFC-FOIQADDNSA-N 1 1 404.536 2.541 20 0 HFADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c(F)cccc21 ZINC001164707009 719851589 /nfs/dbraw/zinc/85/15/89/719851589.db2.gz ZVPQRIZFJVHGAI-XCLFUZPHSA-N 1 1 422.888 2.655 20 0 HFADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc2ncccc21 ZINC001164706911 719851917 /nfs/dbraw/zinc/85/19/17/719851917.db2.gz ZNYSENGZOJRGBC-VLIAUNLRSA-N 1 1 404.898 2.516 20 0 HFADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)nc2sc(C)c(C)c21 ZINC001164698461 719853093 /nfs/dbraw/zinc/85/30/93/719853093.db2.gz CJOPTCRUCJLKRC-KKSFZXQISA-N 1 1 418.563 2.849 20 0 HFADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(SC)nc2ccccc21 ZINC001164701860 719857467 /nfs/dbraw/zinc/85/74/67/719857467.db2.gz LGJDOERHQUSRAU-QVKFZJNVSA-N 1 1 416.547 2.584 20 0 HFADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc2[nH]cc(C)c21 ZINC001164706167 719866687 /nfs/dbraw/zinc/86/66/87/719866687.db2.gz OWXMJAYHEXMUIB-VLIAUNLRSA-N 1 1 406.914 2.757 20 0 HFADMO CC[C@H](C)c1nc2[nH]ccc2c(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164702189 719880521 /nfs/dbraw/zinc/88/05/21/719880521.db2.gz OUUPCDSFVGYMMG-DMPWYTOCSA-N 1 1 415.538 2.704 20 0 HFADMO COC(=O)c1cc(F)cnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164694860 719887001 /nfs/dbraw/zinc/88/70/01/719887001.db2.gz FQNRKTDCLRBUPO-UHFFFAOYSA-N 1 1 405.495 2.940 20 0 HFADMO O=c1ccccn1-c1nccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164705453 719899461 /nfs/dbraw/zinc/89/94/61/719899461.db2.gz BXNFNNFOVPOHLO-UHFFFAOYSA-N 1 1 423.542 2.560 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc3ccc(C(=O)OC)cc3n1)C2 ZINC001164815712 720082601 /nfs/dbraw/zinc/08/26/01/720082601.db2.gz ZERJTXFCXAYCAJ-WMZHIEFXSA-N 1 1 410.518 2.601 20 0 HFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cnccc31)CC2 ZINC001164711088 720102083 /nfs/dbraw/zinc/10/20/83/720102083.db2.gz OAEMXTKXCWBQPR-IBGZPJMESA-N 1 1 404.518 2.927 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(OC)cc(OC)c31)C2 ZINC001164807400 720126037 /nfs/dbraw/zinc/12/60/37/720126037.db2.gz CGHPLMDRIBSUKU-HXOBKFHXSA-N 1 1 412.534 2.832 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(F)c(OC)cc31)C2 ZINC001164813890 720142790 /nfs/dbraw/zinc/14/27/90/720142790.db2.gz RMFXCFZIOKTKRA-KSFYIVLOSA-N 1 1 400.498 2.962 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c(Cl)ncnc31)C2 ZINC001164817168 720188772 /nfs/dbraw/zinc/18/87/72/720188772.db2.gz OJIOFZOVWAQHFR-ORAYPTAESA-N 1 1 423.348 2.911 20 0 HFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c1CCCC3)CCC2 ZINC001164810181 720216425 /nfs/dbraw/zinc/21/64/25/720216425.db2.gz AEUBCKNHDZSRRA-UHFFFAOYSA-N 1 1 416.957 2.816 20 0 HFADMO COc1ccc2nc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c(C)nc2c1 ZINC001164812623 720239901 /nfs/dbraw/zinc/23/99/01/720239901.db2.gz HEBUVZATTFSJSQ-UHFFFAOYSA-N 1 1 422.533 2.754 20 0 HFADMO CCCCOc1cnc(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)c(Cl)c1 ZINC001164721978 720277775 /nfs/dbraw/zinc/27/77/75/720277775.db2.gz NWKSPBXLPSLWJC-NRFANRHFSA-N 1 1 424.973 2.579 20 0 HFADMO CCCCOc1cnc(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)c(Cl)c1 ZINC001164721978 720277792 /nfs/dbraw/zinc/27/77/92/720277792.db2.gz NWKSPBXLPSLWJC-NRFANRHFSA-N 1 1 424.973 2.579 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C(C)(C)C)nc(C(C)C)n3)C2)C1 ZINC001164720732 720296988 /nfs/dbraw/zinc/29/69/88/720296988.db2.gz CQSHQZDWSQKLME-HSZRJFAPSA-N 1 1 417.598 2.562 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(C(C)(C)C)nc(C(C)C)n3)C2)C1 ZINC001164720732 720296992 /nfs/dbraw/zinc/29/69/92/720296992.db2.gz CQSHQZDWSQKLME-HSZRJFAPSA-N 1 1 417.598 2.562 20 0 HFADMO CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]21 ZINC001164828569 720420490 /nfs/dbraw/zinc/42/04/90/720420490.db2.gz XMOIKAFBXQJBEA-QYZOEREBSA-N 1 1 420.985 2.944 20 0 HFADMO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726436 720444084 /nfs/dbraw/zinc/44/40/84/720444084.db2.gz CDWHGTKFRJMZLW-QWHCGFSZSA-N 1 1 405.840 2.751 20 0 HFADMO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726436 720444096 /nfs/dbraw/zinc/44/40/96/720444096.db2.gz CDWHGTKFRJMZLW-QWHCGFSZSA-N 1 1 405.840 2.751 20 0 HFADMO Clc1cc(O[C@@H]2CCOC2)nc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164729511 720480549 /nfs/dbraw/zinc/48/05/49/720480549.db2.gz RJOFUQCDKLDNDR-BRWVUGGUSA-N 1 1 401.898 2.546 20 0 HFADMO Clc1cc(O[C@@H]2CCOC2)nc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164729515 720480914 /nfs/dbraw/zinc/48/09/14/720480914.db2.gz RJOFUQCDKLDNDR-IXDOHACOSA-N 1 1 401.898 2.546 20 0 HFADMO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731552 720482938 /nfs/dbraw/zinc/48/29/38/720482938.db2.gz WKTIRMRBEWZHIK-FVQBIDKESA-N 1 1 401.898 2.655 20 0 HFADMO C[N@@H+](Cc1ccc(N2CC[C@@H]3OCC[C@@]3(C(=O)Nc3cccnc3)C2)nc1)C1CC1 ZINC001164727606 720503135 /nfs/dbraw/zinc/50/31/35/720503135.db2.gz NOYXLQAYKTWENL-NZQKXSOJSA-N 1 1 407.518 2.695 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncccc3C(=O)N3CCCC3)CC[C@@H]21 ZINC001164840621 720506706 /nfs/dbraw/zinc/50/67/06/720506706.db2.gz WWOPXMGMPDEXAU-URVUXULASA-N 1 1 422.577 2.892 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4nc[nH]c43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835300 720508975 /nfs/dbraw/zinc/50/89/75/720508975.db2.gz JTSKAXXQZPGAJL-QLFBSQMISA-N 1 1 400.918 2.581 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)cc(N(C)C)n3)CC[C@@H]21 ZINC001164833607 720552865 /nfs/dbraw/zinc/55/28/65/720552865.db2.gz APCPKJJISSTEDQ-IKGGRYGDSA-N 1 1 403.962 2.770 20 0 HFADMO CCCNC(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164837154 720609811 /nfs/dbraw/zinc/60/98/11/720609811.db2.gz HHOJFJLNCBUQPB-PCCBWWKXSA-N 1 1 410.566 2.796 20 0 HFADMO Fc1ccc2nc(Cl)nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164738134 720629795 /nfs/dbraw/zinc/62/97/95/720629795.db2.gz AJKUNXLIIJFRLD-UONOGXRCSA-N 1 1 400.845 2.554 20 0 HFADMO COc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc2c1ccn2C ZINC001164843584 720639759 /nfs/dbraw/zinc/63/97/59/720639759.db2.gz YIWLWPLBFAHHCM-JENIJYKNSA-N 1 1 409.538 2.551 20 0 HFADMO Fc1cccc2nc(Cl)nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164738996 720667763 /nfs/dbraw/zinc/66/77/63/720667763.db2.gz LWMCPIZPCJNOPM-QWHCGFSZSA-N 1 1 400.845 2.554 20 0 HFADMO CCOC(=O)c1ccc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nn1 ZINC001164837025 720670395 /nfs/dbraw/zinc/67/03/95/720670395.db2.gz AVDAEAPYRVQXBW-LJQANCHMSA-N 1 1 410.518 2.913 20 0 HFADMO CSc1nc2ccsc2c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164738454 720686207 /nfs/dbraw/zinc/68/62/07/720686207.db2.gz JVDZUPPROAUPRS-CHWSQXEVSA-N 1 1 400.533 2.545 20 0 HFADMO CCOC(=O)c1cnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001164839662 720686817 /nfs/dbraw/zinc/68/68/17/720686817.db2.gz BAVXPSYHDOWODV-IBGZPJMESA-N 1 1 410.518 2.913 20 0 HFADMO Clc1nc2c(c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n1)CCCCC2 ZINC001164740626 720688568 /nfs/dbraw/zinc/68/85/68/720688568.db2.gz REFJJAXGGDAHKR-CABCVRRESA-N 1 1 400.914 2.531 20 0 HFADMO CCOC(=O)c1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc2ccccc21 ZINC001164737118 720691377 /nfs/dbraw/zinc/69/13/77/720691377.db2.gz DMOYOSFNLLVTNT-DLBZAZTESA-N 1 1 419.485 2.543 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(Cn3cncn3)cn1)CC2 ZINC001164839743 720710961 /nfs/dbraw/zinc/71/09/61/720710961.db2.gz MSMULGOBPMUUMY-QFIPXVFZSA-N 1 1 418.545 2.981 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(NC(N)=S)cn1)CC2 ZINC001164840906 720721931 /nfs/dbraw/zinc/72/19/31/720721931.db2.gz SGMYEZZLJWOJAC-IBGZPJMESA-N 1 1 411.575 2.997 20 0 HFADMO CC(C)n1ccc2c1nc(Cl)nc2N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741500 720750439 /nfs/dbraw/zinc/75/04/39/720750439.db2.gz MRVWXMIDTUCESH-LSDHHAIUSA-N 1 1 413.913 2.798 20 0 HFADMO Cc1nc2sc3c(c2c(N2CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C2)n1)CCC3 ZINC001164739305 720757969 /nfs/dbraw/zinc/75/79/69/720757969.db2.gz IDEYOISCGKFOPK-LSDHHAIUSA-N 1 1 408.531 2.620 20 0 HFADMO CCOc1ccc(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1 ZINC001164738629 720780690 /nfs/dbraw/zinc/78/06/90/720780690.db2.gz GMPPSIQQIJOTSH-ICSRJNTNSA-N 1 1 418.501 2.674 20 0 HFADMO Fc1cccc(F)c1-c1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164738237 720781443 /nfs/dbraw/zinc/78/14/43/720781443.db2.gz FGZVOCSWLKDDHZ-HUUCEWRRSA-N 1 1 410.428 2.554 20 0 HFADMO Cc1c(Cl)nc(C2CCC2)nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746072 720802318 /nfs/dbraw/zinc/80/23/18/720802318.db2.gz LROHXTKCNSELKE-JKSUJKDBSA-N 1 1 400.914 2.838 20 0 HFADMO Clc1nc(Cl)c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(C2CC2)n1 ZINC001164746631 720803899 /nfs/dbraw/zinc/80/38/99/720803899.db2.gz MCXCKNPPTUQEGB-OLZOCXBDSA-N 1 1 407.305 2.793 20 0 HFADMO Clc1nc2[nH]ccc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164742369 720809179 /nfs/dbraw/zinc/80/91/79/720809179.db2.gz CYALROXLJJMMGK-YQQAZPJKSA-N 1 1 412.929 2.582 20 0 HFADMO Clc1nnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2cnccc12 ZINC001164745593 720815258 /nfs/dbraw/zinc/81/52/58/720815258.db2.gz WYUPPMUIYBYVED-TXPKVOOTSA-N 1 1 424.940 2.649 20 0 HFADMO COc1ccc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164739754 720817973 /nfs/dbraw/zinc/81/79/73/720817973.db2.gz IHVDUJRMJYNUOW-NJNPRVFISA-N 1 1 419.533 2.609 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@@H](C(=O)N4CCCO4)CC[C@H]32)nc1 ZINC001164847290 720822739 /nfs/dbraw/zinc/82/27/39/720822739.db2.gz IRMUWUIIWCKSDT-MXEMCNAFSA-N 1 1 414.550 2.919 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@H](C(=O)N4CCCO4)CC[C@@H]32)nc1 ZINC001164847285 720822893 /nfs/dbraw/zinc/82/28/93/720822893.db2.gz IRMUWUIIWCKSDT-ANULTFPQSA-N 1 1 414.550 2.919 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@H](C(=O)N4CCCO4)CC[C@H]32)nc1 ZINC001164847286 720822981 /nfs/dbraw/zinc/82/29/81/720822981.db2.gz IRMUWUIIWCKSDT-CGXNFDGLSA-N 1 1 414.550 2.919 20 0 HFADMO Fc1ccc2ncc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1 ZINC001164738791 720824522 /nfs/dbraw/zinc/82/45/22/720824522.db2.gz GRLUQMSHCAVTGO-HGHGUNKESA-N 1 1 407.497 2.740 20 0 HFADMO COc1ccc(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739331 720832744 /nfs/dbraw/zinc/83/27/44/720832744.db2.gz AAVBSKWGVRNVOJ-BRWVUGGUSA-N 1 1 402.930 2.715 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)nc3Cl)CC[C@@H]2C1 ZINC001164855253 720834221 /nfs/dbraw/zinc/83/42/21/720834221.db2.gz SYVUSFPMECLQQH-DGCLKSJQSA-N 1 1 411.280 2.502 20 0 HFADMO COc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164747700 720838233 /nfs/dbraw/zinc/83/82/33/720838233.db2.gz RJDCLHIPYRLFBZ-TXPKVOOTSA-N 1 1 402.930 2.715 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4sc5c(c43)CC[C@H](C)C5)CC[C@H]2C1 ZINC001164852747 720853273 /nfs/dbraw/zinc/85/32/73/720853273.db2.gz FPKFRLDTBULVSM-XYJFISCASA-N 1 1 416.591 2.990 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3cccc(-c4cccc(Cl)n4)n3)CC[C@@H]2C1 ZINC001164854991 720855948 /nfs/dbraw/zinc/85/59/48/720855948.db2.gz LYKHEWWKABUVQL-APWZRJJASA-N 1 1 402.926 2.971 20 0 HFADMO CCc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)nc1C ZINC001164748130 720859909 /nfs/dbraw/zinc/85/99/09/720859909.db2.gz KJMZNHBVGAUBCX-JENIJYKNSA-N 1 1 415.973 2.972 20 0 HFADMO CN(C)c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164751517 720869810 /nfs/dbraw/zinc/86/98/10/720869810.db2.gz KRVKELMKNBAFPF-QPPBQGQZSA-N 1 1 422.577 2.693 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3ccc(NC(=O)OC(C)(C)C)cn3)CC[C@H]2C1 ZINC001164864473 720871754 /nfs/dbraw/zinc/87/17/54/720871754.db2.gz VWXYKBZZOMWXRD-WMZOPIPTSA-N 1 1 406.527 2.602 20 0 HFADMO CN(C)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164748032 720872761 /nfs/dbraw/zinc/87/27/61/720872761.db2.gz DMUQVXCOEWWDEW-QPPBQGQZSA-N 1 1 422.577 2.693 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3ncnc4oc(-c5ccc(C)cc5)nc43)CC[C@H]2C1 ZINC001164864706 720878002 /nfs/dbraw/zinc/87/80/02/720878002.db2.gz WOUPVBHLSWPDCS-OALUTQOASA-N 1 1 423.517 2.767 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc(-c4c(F)cccc4F)nn3)CC[C@H]2C1 ZINC001164857631 720881510 /nfs/dbraw/zinc/88/15/10/720881510.db2.gz KCDNWITWBTVRLY-HNAYVOBHSA-N 1 1 404.461 2.595 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nccc(SCc4ccccc4)n3)CC[C@@H]2C1 ZINC001164857408 720885640 /nfs/dbraw/zinc/88/56/40/720885640.db2.gz JNAJPLJGENMEIV-UXHICEINSA-N 1 1 414.575 2.942 20 0 HFADMO Cc1nnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C ZINC001164753117 720931205 /nfs/dbraw/zinc/93/12/05/720931205.db2.gz PWDXVZKNRIESJZ-JTHBVZDNSA-N 1 1 408.550 2.639 20 0 HFADMO CCOC(=O)c1cc(Cl)nnc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164856200 720940884 /nfs/dbraw/zinc/94/08/84/720940884.db2.gz CQHCFUMUYFRUIQ-CYBMUJFWSA-N 1 1 406.918 2.925 20 0 HFADMO CCOC(=O)c1cnc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c(OC)c1 ZINC001164856378 720976428 /nfs/dbraw/zinc/97/64/28/720976428.db2.gz BZOLJYRPPVGXDL-OAHLLOKOSA-N 1 1 401.511 2.885 20 0 HFADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(N3CCSCC3)ncn1)[C@H]2C ZINC001164858086 721014114 /nfs/dbraw/zinc/01/41/14/721014114.db2.gz GBNZYRBOJKXWJQ-INIZCTEOSA-N 1 1 401.584 2.648 20 0 HFADMO FC(F)(c1cc(Cl)nc(Cl)n1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164862727 721031730 /nfs/dbraw/zinc/03/17/30/721031730.db2.gz PFYIXQLWMNDJKK-UHFFFAOYSA-N 1 1 414.247 2.832 20 0 HFADMO CCOC(=O)c1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ncc1Cl ZINC001164869072 721053466 /nfs/dbraw/zinc/05/34/66/721053466.db2.gz RHWBJPBBVITXTL-SJORKVTESA-N 1 1 416.909 2.786 20 0 HFADMO Clc1nc2c(c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n1)CSCC2 ZINC001164866310 721056813 /nfs/dbraw/zinc/05/68/13/721056813.db2.gz DVIBEAZVDBTLFF-HOTGVXAUSA-N 1 1 417.966 2.794 20 0 HFADMO COc1ccc2nc(Cl)nc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2c1 ZINC001164762489 721072812 /nfs/dbraw/zinc/07/28/12/721072812.db2.gz FDGWUQQNEMPXKX-CVEARBPZSA-N 1 1 412.925 2.984 20 0 HFADMO Cc1cc(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(Cl)n1 ZINC001164871413 721073029 /nfs/dbraw/zinc/07/30/29/721073029.db2.gz YQDXSPJGZGJMKL-HZPDHXFCSA-N 1 1 409.868 2.858 20 0 HFADMO COC(=O)c1ccc2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)ccc2c1 ZINC001164863520 721079249 /nfs/dbraw/zinc/07/92/49/721079249.db2.gz CNZOYPXFVNVFGN-LEWJYISDSA-N 1 1 418.497 2.896 20 0 HFADMO COCc1cc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc(-c2ccccc2)n1 ZINC001164766590 721081738 /nfs/dbraw/zinc/08/17/38/721081738.db2.gz KWQUWFHSYIQQHF-RTWAWAEBSA-N 1 1 418.545 2.982 20 0 HFADMO CSc1nc2c(c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n1)CCCC2 ZINC001164865689 721082642 /nfs/dbraw/zinc/08/26/42/721082642.db2.gz OHJXBGZDEBHIJD-ZWKOTPCHSA-N 1 1 411.575 2.952 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncccc4C(=O)NC4CCCCC4)C[C@@H]3C2)cn1 ZINC001164761068 721083209 /nfs/dbraw/zinc/08/32/09/721083209.db2.gz AOILROVWJLRRHZ-UXHICEINSA-N 1 1 422.577 2.836 20 0 HFADMO c1ccc(COc2ccnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164864030 721086217 /nfs/dbraw/zinc/08/62/17/721086217.db2.gz DNPNUIGTRIOHJE-FGZHOGPDSA-N 1 1 417.513 2.930 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4COC5(C)C)C[C@H]3C2)cn1 ZINC001164768377 721103169 /nfs/dbraw/zinc/10/31/69/721103169.db2.gz NAPUBYFOEYHQNP-LSDHHAIUSA-N 1 1 402.930 2.587 20 0 HFADMO CCOC(=O)c1cc2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)[nH]c-2n1 ZINC001164865606 721113821 /nfs/dbraw/zinc/11/38/21/721113821.db2.gz NKMATTKCJZXNIP-MOPGFXCFSA-N 1 1 421.501 2.614 20 0 HFADMO CCOC(=O)c1cc2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2[nH]1 ZINC001164865606 721113829 /nfs/dbraw/zinc/11/38/29/721113829.db2.gz NKMATTKCJZXNIP-MOPGFXCFSA-N 1 1 421.501 2.614 20 0 HFADMO CCOC(=O)c1cc2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2[nH]1 ZINC001164865606 721113844 /nfs/dbraw/zinc/11/38/44/721113844.db2.gz NKMATTKCJZXNIP-MOPGFXCFSA-N 1 1 421.501 2.614 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)COc4ccnc(Cl)c4)C[C@@H]3C2)cn1 ZINC001164769164 721122613 /nfs/dbraw/zinc/12/26/13/721122613.db2.gz PRFWRWWXQUXJST-CVEARBPZSA-N 1 1 411.884 2.894 20 0 HFADMO COc1cccc2c1nc(Cl)nc2N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164762082 721128542 /nfs/dbraw/zinc/12/85/42/721128542.db2.gz BVIQFHWHFLTZHA-CVEARBPZSA-N 1 1 412.925 2.984 20 0 HFADMO C=Cc1nc(Cl)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1OC ZINC001164873660 721135307 /nfs/dbraw/zinc/13/53/07/721135307.db2.gz JWHKUJQEBRRSNQ-HOTGVXAUSA-N 1 1 401.898 2.656 20 0 HFADMO COc1cccc2nc(Cl)nc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c21 ZINC001164761662 721145797 /nfs/dbraw/zinc/14/57/97/721145797.db2.gz ACUAETIEKLXFAS-HZPDHXFCSA-N 1 1 412.925 2.984 20 0 HFADMO CC1CCN(c2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)CC1 ZINC001164877649 721147881 /nfs/dbraw/zinc/14/78/81/721147881.db2.gz POKVEQCTTURBDF-LEWJYISDSA-N 1 1 408.550 2.588 20 0 HFADMO COc1cc2ccc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2cc1OC ZINC001164763455 721155117 /nfs/dbraw/zinc/15/51/17/721155117.db2.gz GBQPUVBUEDHUGR-RBUKOAKNSA-N 1 1 407.518 2.944 20 0 HFADMO Fc1cccc(-c2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164876453 721157672 /nfs/dbraw/zinc/15/76/72/721157672.db2.gz MNKKMEVTEWSMAJ-PMACEKPBSA-N 1 1 406.465 2.552 20 0 HFADMO COc1ccc2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c(C)nc2c1 ZINC001164880457 721161449 /nfs/dbraw/zinc/16/14/49/721161449.db2.gz WTTDJFYPSNXOEF-UYAOXDASSA-N 1 1 405.502 2.822 20 0 HFADMO CCCSc1ncnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1OC ZINC001164866456 721189486 /nfs/dbraw/zinc/18/94/86/721189486.db2.gz ASRWUTOCDKSWDX-ZWKOTPCHSA-N 1 1 415.563 2.862 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4c5c(nnc4Cl)CCC5)C[C@@H]3C2)cn1 ZINC001164764282 721204785 /nfs/dbraw/zinc/20/47/85/721204785.db2.gz GZUNHKRVABYRLR-GJZGRUSLSA-N 1 1 422.911 2.855 20 0 HFADMO COc1ccccc1-c1ccnc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164761441 721210486 /nfs/dbraw/zinc/21/04/86/721210486.db2.gz BAHPIWODYGENPC-RBUKOAKNSA-N 1 1 404.518 2.844 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5c4ncn5-c4ccccc4)C[C@H]3C2)cn1 ZINC001164761905 721228913 /nfs/dbraw/zinc/22/89/13/721228913.db2.gz JZWGFWJBJBENGD-RTBURBONSA-N 1 1 414.517 2.507 20 0 HFADMO Cc1nc(C)c(-c2ccc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nn2)s1 ZINC001164761883 721229797 /nfs/dbraw/zinc/22/97/97/721229797.db2.gz JSAONBFECJYINF-QZTJIDSGSA-N 1 1 409.563 2.909 20 0 HFADMO Fc1ccccc1N1CCN(c2cc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)ncn2)CC1 ZINC001164768832 721299807 /nfs/dbraw/zinc/29/98/07/721299807.db2.gz HQTMNJYDWFGVPZ-UHFFFAOYSA-N 1 1 422.552 2.864 20 0 HFADMO COC(=O)c1ccc(C(F)(F)N2CCC3(CC(N(C)C)=[NH+]O3)CC2)nc1Cl ZINC001164873726 721325010 /nfs/dbraw/zinc/32/50/10/721325010.db2.gz AUONAOXARMRCDE-UHFFFAOYSA-N 1 1 402.829 2.701 20 0 HFADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001164873688 721325849 /nfs/dbraw/zinc/32/58/49/721325849.db2.gz AENVIRHZAFEZHE-UHFFFAOYSA-N 1 1 402.829 2.701 20 0 HFADMO COC(=O)c1ccnc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164778847 721333235 /nfs/dbraw/zinc/33/32/35/721333235.db2.gz ZFQFVXOQKFTABG-QFIPXVFZSA-N 1 1 414.506 2.592 20 0 HFADMO COC(=O)c1ccnc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164778847 721333239 /nfs/dbraw/zinc/33/32/39/721333239.db2.gz ZFQFVXOQKFTABG-QFIPXVFZSA-N 1 1 414.506 2.592 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)nc4[nH]ccc43)C2)C1 ZINC001164777392 721341142 /nfs/dbraw/zinc/34/11/42/721341142.db2.gz GPCNKKUTVRRXGQ-JOCHJYFZSA-N 1 1 410.522 2.990 20 0 HFADMO COCc1cc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc(C)n1 ZINC001164780032 721346721 /nfs/dbraw/zinc/34/67/21/721346721.db2.gz YPDOUWSRRYXLLX-JOCHJYFZSA-N 1 1 415.538 2.655 20 0 HFADMO COCc1cc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc(C)n1 ZINC001164780032 721346725 /nfs/dbraw/zinc/34/67/25/721346725.db2.gz YPDOUWSRRYXLLX-JOCHJYFZSA-N 1 1 415.538 2.655 20 0 HFADMO COc1cc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc(C)n1 ZINC001164777824 721348938 /nfs/dbraw/zinc/34/89/38/721348938.db2.gz IKVZPRCNSKIFPJ-NRFANRHFSA-N 1 1 401.511 2.517 20 0 HFADMO COc1cc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc(C)n1 ZINC001164777824 721348942 /nfs/dbraw/zinc/34/89/42/721348942.db2.gz IKVZPRCNSKIFPJ-NRFANRHFSA-N 1 1 401.511 2.517 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc4ncsc4n3)C2)C1 ZINC001164782187 721356089 /nfs/dbraw/zinc/35/60/89/721356089.db2.gz KZKMNGFMUQXELA-FQEVSTJZSA-N 1 1 414.535 2.810 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc4ncsc4n3)C2)C1 ZINC001164782187 721356095 /nfs/dbraw/zinc/35/60/95/721356095.db2.gz KZKMNGFMUQXELA-FQEVSTJZSA-N 1 1 414.535 2.810 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc4ncsc4n3)C2)C1 ZINC001164782192 721356556 /nfs/dbraw/zinc/35/65/56/721356556.db2.gz KZKMNGFMUQXELA-HXUWFJFHSA-N 1 1 414.535 2.810 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc4ncsc4n3)C2)C1 ZINC001164782192 721356558 /nfs/dbraw/zinc/35/65/58/721356558.db2.gz KZKMNGFMUQXELA-HXUWFJFHSA-N 1 1 414.535 2.810 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cncc(OC(C)C)n3)C2)C1 ZINC001164785211 721367966 /nfs/dbraw/zinc/36/79/66/721367966.db2.gz SJXXIYKOTZCYIU-QFIPXVFZSA-N 1 1 415.538 2.988 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cncc(OC(C)C)n3)C2)C1 ZINC001164785211 721367968 /nfs/dbraw/zinc/36/79/68/721367968.db2.gz SJXXIYKOTZCYIU-QFIPXVFZSA-N 1 1 415.538 2.988 20 0 HFADMO Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cc(-n4ccnc4)cc[nH+]3)C2)C1 ZINC001164780294 721370916 /nfs/dbraw/zinc/37/09/16/721370916.db2.gz FTENYPWZXLSCTN-QHCPKHFHSA-N 1 1 422.533 2.991 20 0 HFADMO COc1ncc(Cl)c(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164784259 721372564 /nfs/dbraw/zinc/37/25/64/721372564.db2.gz RBYSIMBYGNTQHJ-FQEVSTJZSA-N 1 1 421.929 2.862 20 0 HFADMO COc1ncc(Cl)c(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164784259 721372568 /nfs/dbraw/zinc/37/25/68/721372568.db2.gz RBYSIMBYGNTQHJ-FQEVSTJZSA-N 1 1 421.929 2.862 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccccc5)nn4)C3)O2)CC1 ZINC001164889203 721391446 /nfs/dbraw/zinc/39/14/46/721391446.db2.gz KXLOLHOPNWCCHS-QPPBQGQZSA-N 1 1 407.562 2.909 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4CCCC5)C3)O2)CC1 ZINC001164894528 721393597 /nfs/dbraw/zinc/39/35/97/721393597.db2.gz YUSGRXPVDWJKCA-VGOFRKELSA-N 1 1 420.001 2.774 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4CCCC5)C3)O2)CC1 ZINC001164894526 721393875 /nfs/dbraw/zinc/39/38/75/721393875.db2.gz YUSGRXPVDWJKCA-HTAPYJJXSA-N 1 1 420.001 2.774 20 0 HFADMO CC(C)(C)OC(=O)Nc1cc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)ncn1 ZINC001164790732 721397602 /nfs/dbraw/zinc/39/76/02/721397602.db2.gz XQZGARRLHUWEBY-OKILXGFUSA-N 1 1 402.524 2.848 20 0 HFADMO CC(C)(C)OC(=O)Nc1cc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)ncn1 ZINC001164790732 721397606 /nfs/dbraw/zinc/39/76/06/721397606.db2.gz XQZGARRLHUWEBY-OKILXGFUSA-N 1 1 402.524 2.848 20 0 HFADMO CCOc1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164889919 721408579 /nfs/dbraw/zinc/40/85/79/721408579.db2.gz RVOVGLWRUZTXLG-UWJYYQICSA-N 1 1 408.974 2.899 20 0 HFADMO CSc1nc(Cl)ncc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164886339 721411026 /nfs/dbraw/zinc/41/10/26/721411026.db2.gz JCZVZOWCARBDFN-BEFAXECRSA-N 1 1 412.003 2.617 20 0 HFADMO CN(C)c1nc(-c2ccccc2)nc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164785047 721416625 /nfs/dbraw/zinc/41/66/25/721416625.db2.gz MFAQLXPFJWJCIK-CALCHBBNSA-N 1 1 407.547 2.629 20 0 HFADMO CN(C)c1nc(-c2ccccc2)nc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164785047 721416628 /nfs/dbraw/zinc/41/66/28/721416628.db2.gz MFAQLXPFJWJCIK-CALCHBBNSA-N 1 1 407.547 2.629 20 0 HFADMO CCOC(=O)c1cc2ncnc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c2s1 ZINC001164788236 721418806 /nfs/dbraw/zinc/41/88/06/721418806.db2.gz RNABHHPBXZCYCI-BETUJISGSA-N 1 1 415.544 2.893 20 0 HFADMO CCOC(=O)c1cc2ncnc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c2s1 ZINC001164788236 721418809 /nfs/dbraw/zinc/41/88/09/721418809.db2.gz RNABHHPBXZCYCI-BETUJISGSA-N 1 1 415.544 2.893 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nnc(Cl)c5ccoc54)C3)O2)CC1 ZINC001164890524 721423694 /nfs/dbraw/zinc/42/36/94/721423694.db2.gz SYZGYTBWPBXIQJ-YWZLYKJASA-N 1 1 405.930 2.642 20 0 HFADMO CSc1cnc(Cl)c(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164893642 721430010 /nfs/dbraw/zinc/43/00/10/721430010.db2.gz JSERHHUKSGDGIE-BEFAXECRSA-N 1 1 412.003 2.617 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C(=O)OC)ccn1)CC2 ZINC001164786919 721450795 /nfs/dbraw/zinc/45/07/95/721450795.db2.gz ORSYKAPXQSFWRG-HXUWFJFHSA-N 1 1 417.550 2.602 20 0 HFADMO CSc1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(SC)n1 ZINC001164892030 721450930 /nfs/dbraw/zinc/45/09/30/721450930.db2.gz VWCCHPFGYFLEDH-JXFKEZNVSA-N 1 1 423.652 2.686 20 0 HFADMO CCOc1ccc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)nn1 ZINC001164787701 721451353 /nfs/dbraw/zinc/45/13/53/721451353.db2.gz PRNVVALCKGTLGD-IBGZPJMESA-N 1 1 404.555 2.609 20 0 HFADMO CCc1nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c(Cl)nc1C ZINC001164886551 721451769 /nfs/dbraw/zinc/45/17/69/721451769.db2.gz HHGYERHFAZIJAC-DYESRHJHSA-N 1 1 407.990 2.766 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(Cl)[n+]1[O-])CC2 ZINC001164785642 721457354 /nfs/dbraw/zinc/45/73/54/721457354.db2.gz MIPLDTLWRMZFBZ-GOSISDBHSA-N 1 1 409.958 2.707 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(NC(C)=O)n1)CC2 ZINC001164786796 721459588 /nfs/dbraw/zinc/45/95/88/721459588.db2.gz PLGGVBBRLDOHFF-FQEVSTJZSA-N 1 1 416.566 2.774 20 0 HFADMO C[NH+]1CCC(Oc2ccnc(N3CCC4(C[C@@H](c5ccncc5)C(=O)N4)CC3)c2)CC1 ZINC001164895593 721505242 /nfs/dbraw/zinc/50/52/42/721505242.db2.gz CZAISBMBEYYZLP-NRFANRHFSA-N 1 1 421.545 2.592 20 0 HFADMO O=C(c1cccnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1)N1CCCC1 ZINC001164900323 721509737 /nfs/dbraw/zinc/50/97/37/721509737.db2.gz QDORNYYDWAHWKU-QUCCMNQESA-N 1 1 410.493 2.799 20 0 HFADMO COC(=O)c1ccc2c(c1)ncnc2N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164896362 721516940 /nfs/dbraw/zinc/51/69/40/721516940.db2.gz BDWIYPYTXSBEOX-PKOBYXMFSA-N 1 1 422.460 2.897 20 0 HFADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ncnc5cc6c(cc54)OCCO6)CC[N@H+]3C2)c1 ZINC001164902152 721518802 /nfs/dbraw/zinc/51/88/02/721518802.db2.gz ZRDTXIWMTOVVDH-SJLPKXTDSA-N 1 1 422.460 2.882 20 0 HFADMO COC(=O)c1cc(Cl)cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164799857 721529699 /nfs/dbraw/zinc/52/96/99/721529699.db2.gz BIEXOZOERQCRPC-FHWLQOOXSA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1cc(Cl)cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164799857 721529703 /nfs/dbraw/zinc/52/97/03/721529703.db2.gz BIEXOZOERQCRPC-FHWLQOOXSA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ncc1Cl ZINC001164803828 721531343 /nfs/dbraw/zinc/53/13/43/721531343.db2.gz JJNITTYNCMEZCJ-CMKODMSKSA-N 1 1 416.909 2.785 20 0 HFADMO O=C(c1ccnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1)N1CCCC1 ZINC001164907338 721545085 /nfs/dbraw/zinc/54/50/85/721545085.db2.gz MYPFDAVEZILAHJ-TZIWHRDSSA-N 1 1 410.493 2.799 20 0 HFADMO COCc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(SC)n1 ZINC001164805331 721551388 /nfs/dbraw/zinc/55/13/88/721551388.db2.gz LRRXJBMWTZLSDQ-HBFSDRIKSA-N 1 1 415.563 2.608 20 0 HFADMO COCc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(SC)n1 ZINC001164805331 721551390 /nfs/dbraw/zinc/55/13/90/721551390.db2.gz LRRXJBMWTZLSDQ-HBFSDRIKSA-N 1 1 415.563 2.608 20 0 HFADMO COCc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(SC)n1 ZINC001164805326 721551630 /nfs/dbraw/zinc/55/16/30/721551630.db2.gz LRRXJBMWTZLSDQ-BJLQDIEVSA-N 1 1 415.563 2.608 20 0 HFADMO COCc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(SC)n1 ZINC001164805326 721551632 /nfs/dbraw/zinc/55/16/32/721551632.db2.gz LRRXJBMWTZLSDQ-BJLQDIEVSA-N 1 1 415.563 2.608 20 0 HFADMO COC(=O)c1cc(F)c(C)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164801076 721554892 /nfs/dbraw/zinc/55/48/92/721554892.db2.gz GHYVULOVVSCDKM-UFYCRDLUSA-N 1 1 414.481 2.579 20 0 HFADMO COC(=O)c1cc(F)c(C)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164801076 721554894 /nfs/dbraw/zinc/55/48/94/721554894.db2.gz GHYVULOVVSCDKM-UFYCRDLUSA-N 1 1 414.481 2.579 20 0 HFADMO COc1ccc2ncc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc2c1 ZINC001164805815 721555048 /nfs/dbraw/zinc/55/50/48/721555048.db2.gz OYBJGXKSPCDCKQ-FUDKSRODSA-N 1 1 405.502 2.902 20 0 HFADMO COc1ccc2ncc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc2c1 ZINC001164805815 721555049 /nfs/dbraw/zinc/55/50/49/721555049.db2.gz OYBJGXKSPCDCKQ-FUDKSRODSA-N 1 1 405.502 2.902 20 0 HFADMO O=c1ccccn1Cc1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164911299 721556206 /nfs/dbraw/zinc/55/62/06/721556206.db2.gz YSSCFUNVBRUZTM-UNMCSNQZSA-N 1 1 420.488 2.773 20 0 HFADMO [O-][n+]1ccc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cc1Cl ZINC001164911274 721567279 /nfs/dbraw/zinc/56/72/79/721567279.db2.gz YNIRAFBPPHDNNA-DOTOQJQBSA-N 1 1 413.827 2.999 20 0 HFADMO COC(=O)c1cc2c[nH]c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)cc-2n1 ZINC001164809420 721571307 /nfs/dbraw/zinc/57/13/07/721571307.db2.gz XETMFEDXMCQLPF-JAXLGGSGSA-N 1 1 421.501 2.613 20 0 HFADMO CC1CCN(c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nn2)CC1 ZINC001164802566 721579578 /nfs/dbraw/zinc/57/95/78/721579578.db2.gz GKAPZHDVXMKIKT-AWRGLXIESA-N 1 1 422.577 2.976 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN([C@H](F)Oc2cncc(Cl)n2)[C@H]2CCCO[C@H]12 ZINC001164803411 721587710 /nfs/dbraw/zinc/58/77/10/721587710.db2.gz HZGUEJQVVUDRQT-QXGSTGNESA-N 1 1 407.877 2.521 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN([C@H](F)Oc2cncc(Cl)n2)[C@H]2CCCO[C@H]12 ZINC001164803411 721587712 /nfs/dbraw/zinc/58/77/12/721587712.db2.gz HZGUEJQVVUDRQT-QXGSTGNESA-N 1 1 407.877 2.521 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(-c3nccs3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164799283 721590618 /nfs/dbraw/zinc/59/06/18/721590618.db2.gz AJMGWALNAJGEKA-ZHALLVOQSA-N 1 1 408.531 2.863 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(-c3nccs3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164799283 721590620 /nfs/dbraw/zinc/59/06/20/721590620.db2.gz AJMGWALNAJGEKA-ZHALLVOQSA-N 1 1 408.531 2.863 20 0 HFADMO CCOC(=O)c1cncc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906593 721701881 /nfs/dbraw/zinc/70/18/81/721701881.db2.gz NOHBUSQWMPWCBZ-HXUWFJFHSA-N 1 1 417.460 2.786 20 0 HFADMO NC(=S)Nc1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164909681 721731873 /nfs/dbraw/zinc/73/18/73/721731873.db2.gz CVFNNRQRUXBKOZ-LJQANCHMSA-N 1 1 418.517 2.870 20 0 HFADMO Cc1cnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1C1C[NH2+]C1 ZINC001164912133 721738803 /nfs/dbraw/zinc/73/88/03/721738803.db2.gz MBUSWUSWXFZODM-NRFANRHFSA-N 1 1 414.504 2.605 20 0 HFADMO C[C@@H]1C(=O)Nc2ncnc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c21 ZINC001164910084 721755990 /nfs/dbraw/zinc/75/59/90/721755990.db2.gz LONXOQSMEXRENL-AWEZNQCLSA-N 1 1 404.474 2.715 20 0 HFADMO C[C@@H]1C(=O)Nc2ncnc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c21 ZINC001164910084 721755992 /nfs/dbraw/zinc/75/59/92/721755992.db2.gz LONXOQSMEXRENL-AWEZNQCLSA-N 1 1 404.474 2.715 20 0 HFADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(S(C)(=O)=O)cn1)C2 ZINC001164909036 721760137 /nfs/dbraw/zinc/76/01/37/721760137.db2.gz DFXKHOJTCIQMSY-UHFFFAOYSA-N 1 1 412.515 2.668 20 0 HFADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(S(C)(=O)=O)cn1)C2 ZINC001164909036 721760140 /nfs/dbraw/zinc/76/01/40/721760140.db2.gz DFXKHOJTCIQMSY-UHFFFAOYSA-N 1 1 412.515 2.668 20 0 HFADMO CC(C)n1ccc2c1nc[nH+]c2N1CCO[C@]2(C1)COCCN(Cc1cccnc1)C2 ZINC001164915628 721791702 /nfs/dbraw/zinc/79/17/02/721791702.db2.gz MFWFSMRVFOLDNA-HSZRJFAPSA-N 1 1 422.533 2.515 20 0 HFADMO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3CCNC4)C[C@H]21 ZINC001165026619 721804473 /nfs/dbraw/zinc/80/44/73/721804473.db2.gz ROLFYEFPJJAWDU-QKYXUNIQSA-N 1 1 412.969 2.908 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3CCNC4)C[C@H]21 ZINC001165026619 721804474 /nfs/dbraw/zinc/80/44/74/721804474.db2.gz ROLFYEFPJJAWDU-QKYXUNIQSA-N 1 1 412.969 2.908 20 0 HFADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc(Oc2cccc(F)c2)n1 ZINC001164927976 721870891 /nfs/dbraw/zinc/87/08/91/721870891.db2.gz XQJJXJNLFUAKPJ-JKSUJKDBSA-N 1 1 406.893 2.671 20 0 HFADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc(Oc2cccc(F)c2)n1 ZINC001164927976 721870895 /nfs/dbraw/zinc/87/08/95/721870895.db2.gz XQJJXJNLFUAKPJ-JKSUJKDBSA-N 1 1 406.893 2.671 20 0 HFADMO COc1ccc(Cc2c(C)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)nc2C)cc1 ZINC001164931969 721886854 /nfs/dbraw/zinc/88/68/54/721886854.db2.gz GXELKADEYPUSSH-PKTZIBPZSA-N 1 1 409.578 2.907 20 0 HFADMO COc1ccc(Cc2c(C)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4CCN(C)C)nc2C)cc1 ZINC001164931969 721886855 /nfs/dbraw/zinc/88/68/55/721886855.db2.gz GXELKADEYPUSSH-PKTZIBPZSA-N 1 1 409.578 2.907 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@]2(C[C@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001164940359 721919906 /nfs/dbraw/zinc/91/99/06/721919906.db2.gz ZMRXVCOMEDRFLY-UWJYYQICSA-N 1 1 407.942 2.843 20 0 HFADMO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165041684 721924377 /nfs/dbraw/zinc/92/43/77/721924377.db2.gz ASMAIFWFSNYBRQ-ZDUSSCGKSA-N 1 1 404.845 2.673 20 0 HFADMO CCOC(=O)c1cnc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)cn1 ZINC001164940889 721925201 /nfs/dbraw/zinc/92/52/01/721925201.db2.gz VWGGMNVTOSXWRP-UHFFFAOYSA-N 1 1 410.518 2.833 20 0 HFADMO COc1cccc2c1ncnc2N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945083 721971440 /nfs/dbraw/zinc/97/14/40/721971440.db2.gz OQJVZMMKWGNPQN-UHFFFAOYSA-N 1 1 417.513 2.609 20 0 HFADMO COc1cccc2c1ncnc2N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945083 721971441 /nfs/dbraw/zinc/97/14/41/721971441.db2.gz OQJVZMMKWGNPQN-UHFFFAOYSA-N 1 1 417.513 2.609 20 0 HFADMO F[C@H](Oc1cncc(Cl)n1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164966300 722061551 /nfs/dbraw/zinc/06/15/51/722061551.db2.gz QFTLIGZZLGYVTJ-IBGZPJMESA-N 1 1 421.904 2.772 20 0 HFADMO CCOC(=O)c1cnc(Cl)c(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c1Cl ZINC001164967650 722069834 /nfs/dbraw/zinc/06/98/34/722069834.db2.gz SPRUDGGROWOPKU-BETUJISGSA-N 1 1 400.306 2.865 20 0 HFADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967708 722078160 /nfs/dbraw/zinc/07/81/60/722078160.db2.gz JXGSBPVWRGLNRN-TXEJJXNPSA-N 1 1 415.897 2.670 20 0 HFADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967708 722078162 /nfs/dbraw/zinc/07/81/62/722078162.db2.gz JXGSBPVWRGLNRN-TXEJJXNPSA-N 1 1 415.897 2.670 20 0 HFADMO Cc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1N1CCCC1 ZINC001164978210 722099139 /nfs/dbraw/zinc/09/91/39/722099139.db2.gz GESKSEBFPUUXLC-SFTDATJTSA-N 1 1 408.550 2.508 20 0 HFADMO COC(=O)c1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164984274 722099343 /nfs/dbraw/zinc/09/93/43/722099343.db2.gz RWJZJMXMSHLTOF-APWZRJJASA-N 1 1 416.909 2.644 20 0 HFADMO COC(=O)c1cnc(Cl)cc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978292 722100103 /nfs/dbraw/zinc/10/01/03/722100103.db2.gz GOZVRHDNPUWSBB-VQIMIIECSA-N 1 1 416.909 2.644 20 0 HFADMO COC(=O)c1ccc(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974565 722100145 /nfs/dbraw/zinc/10/01/45/722100145.db2.gz AGOFBYFIXNDYFU-WMZOPIPTSA-N 1 1 416.909 2.644 20 0 HFADMO CSc1ncc(Cl)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164986027 722104676 /nfs/dbraw/zinc/10/46/76/722104676.db2.gz XTDWJUCNIKULQF-RDJZCZTQSA-N 1 1 405.955 2.974 20 0 HFADMO COc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc2ccccc21 ZINC001164973044 722125975 /nfs/dbraw/zinc/12/59/75/722125975.db2.gz GDJRDZYAJFEYTQ-WIYYLYMNSA-N 1 1 405.502 2.761 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4cc(N5CCCCC5)ncn4)CC[C@@H]3C2)c1 ZINC001164983858 722139574 /nfs/dbraw/zinc/13/95/74/722139574.db2.gz VWLFFBHOFCWKLX-RTWAWAEBSA-N 1 1 408.550 2.589 20 0 HFADMO c1ccc(-c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)nc1 ZINC001164983880 722147819 /nfs/dbraw/zinc/14/78/19/722147819.db2.gz VYKTVTDETINTRT-KNQAVFIVSA-N 1 1 402.502 2.661 20 0 HFADMO [O-][n+]1ccc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1Cl ZINC001164976215 722157268 /nfs/dbraw/zinc/15/72/68/722157268.db2.gz UZTNZMUTTUAHGS-FUHWJXTLSA-N 1 1 424.879 2.641 20 0 HFADMO CCOC[C@H]1C(=O)N(CC)CC12CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)CC2 ZINC001164988263 722187723 /nfs/dbraw/zinc/18/77/23/722187723.db2.gz CYUZFCJJWBPIAY-FQEVSTJZSA-N 1 1 400.567 2.777 20 0 HFADMO CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(c3nc(Cl)ccc3C[NH+]3CCCC3)[C@@H]2C1 ZINC001164995593 722215070 /nfs/dbraw/zinc/21/50/70/722215070.db2.gz JWHRVQIJBKDJSY-RCCFBDPRSA-N 1 1 406.958 2.839 20 0 HFADMO CCc1nc(N2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc(C)[nH+]1 ZINC000804370824 1078044621 /nfs/dbraw/zinc/04/46/21/1078044621.db2.gz WIIWIMVAYJCHII-QGZVFWFLSA-N 1 1 417.554 2.643 20 0 HFADMO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000793009026 1078047539 /nfs/dbraw/zinc/04/75/39/1078047539.db2.gz NZPHZESQPZUAOP-LJQANCHMSA-N 1 1 416.566 2.570 20 0 HFADMO CO[C@H]1CC[N@H+](CC(=O)Nc2cccc(I)c2)CC1(C)C ZINC001170424700 1078051775 /nfs/dbraw/zinc/05/17/75/1078051775.db2.gz PEDZOTQVPAWGFQ-AWEZNQCLSA-N 1 1 402.276 2.977 20 0 HFADMO CO[C@H]1CC[N@@H+](CC(=O)Nc2cccc(I)c2)CC1(C)C ZINC001170424700 1078051781 /nfs/dbraw/zinc/05/17/81/1078051781.db2.gz PEDZOTQVPAWGFQ-AWEZNQCLSA-N 1 1 402.276 2.977 20 0 HFADMO CN(C(=O)C(=O)Nc1cccc(Br)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793035460 1078052724 /nfs/dbraw/zinc/05/27/24/1078052724.db2.gz XKQKAHIXEDDKHA-OAHLLOKOSA-N 1 1 417.307 2.516 20 0 HFADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@]1(C)CCN(C(=O)OCc2ccccc2)C1 ZINC000793091495 1078066749 /nfs/dbraw/zinc/06/67/49/1078066749.db2.gz HYXGUXBTAGNBGV-ZWDAVXSWSA-N 1 1 400.523 2.570 20 0 HFADMO COCC1(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793121131 1078070376 /nfs/dbraw/zinc/07/03/76/1078070376.db2.gz MWBRWGGLKPQKDH-INIZCTEOSA-N 1 1 408.543 2.608 20 0 HFADMO C[N@@H+]1CCN(C(=O)C(=O)Nc2ccnn2C2CCCCC2)C[C@H]1Cc1ccccc1 ZINC000793107883 1078079835 /nfs/dbraw/zinc/07/98/35/1078079835.db2.gz FEXVWAAWZKXAAC-HXUWFJFHSA-N 1 1 409.534 2.712 20 0 HFADMO C[N@H+]1CCN(C(=O)C(=O)Nc2ccnn2C2CCCCC2)C[C@H]1Cc1ccccc1 ZINC000793107883 1078079841 /nfs/dbraw/zinc/07/98/41/1078079841.db2.gz FEXVWAAWZKXAAC-HXUWFJFHSA-N 1 1 409.534 2.712 20 0 HFADMO C[C@@H]1CCC[N@@H+](CCNC(=O)N2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)C1 ZINC000790673513 1078087078 /nfs/dbraw/zinc/08/70/78/1078087078.db2.gz OYWJSZRXDQHCLY-IKGGRYGDSA-N 1 1 400.539 2.707 20 0 HFADMO C[C@H]1C[N@@H+](CCCNC(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)CCCO1 ZINC000793194113 1078098141 /nfs/dbraw/zinc/09/81/41/1078098141.db2.gz YOTRJFURXWQXRI-SFHVURJKSA-N 1 1 424.586 2.744 20 0 HFADMO COc1cc(C(=O)OC[C@@H]2C[N@H+](C(C)C)CCO2)cc(Br)c1OC ZINC000793205812 1078105302 /nfs/dbraw/zinc/10/53/02/1078105302.db2.gz QYYSPVSOWPGFMW-ZDUSSCGKSA-N 1 1 402.285 2.732 20 0 HFADMO C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=S)NCCC[NH+]1CCOCC1 ZINC000793326845 1078138431 /nfs/dbraw/zinc/13/84/31/1078138431.db2.gz YMYSZFSJNOSYQJ-HNNXBMFYSA-N 1 1 414.978 2.586 20 0 HFADMO CC[C@@H](C)CC[C@H](O)CC(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000793336067 1078142928 /nfs/dbraw/zinc/14/29/28/1078142928.db2.gz XQZOUPFCLNHCHV-AEFFLSMTSA-N 1 1 402.539 2.953 20 0 HFADMO COc1ccc([C@@H]2C[C@H]2NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000793383809 1078161635 /nfs/dbraw/zinc/16/16/35/1078161635.db2.gz JXIBMAKYEHRULL-SNJCGAMXSA-N 1 1 409.530 2.733 20 0 HFADMO COc1ccc([C@@H]2[C@H](COC(=O)C3CCN(c4cnccn4)CC3)CC[N@H+]2C)cc1 ZINC000747120831 1078174095 /nfs/dbraw/zinc/17/40/95/1078174095.db2.gz OFQCYOKCJBWTMG-SIKLNZKXSA-N 1 1 410.518 2.938 20 0 HFADMO CC(C)[NH+]1CCN(C2CCN(CN3CC[C@@H](CCc4ccccc4)C3=O)CC2)CC1 ZINC000793510417 1078194851 /nfs/dbraw/zinc/19/48/51/1078194851.db2.gz BURXSNJSUNBBCW-HSZRJFAPSA-N 1 1 412.622 2.916 20 0 HFADMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)[C@@H](C)C1 ZINC000793510760 1078194905 /nfs/dbraw/zinc/19/49/05/1078194905.db2.gz AJIHMMHUVCLOBI-OKZBNKHCSA-N 1 1 411.587 2.885 20 0 HFADMO O=C(NC[C@H]1CCC[N@H+](CN2CC[C@@H](CCc3ccccc3)C2=O)C1)C(F)(F)F ZINC000793518546 1078198010 /nfs/dbraw/zinc/19/80/10/1078198010.db2.gz GOBYFICPMMUBFD-QZTJIDSGSA-N 1 1 411.468 2.816 20 0 HFADMO O=C(NC[C@H]1CCC[N@@H+](CN2CC[C@@H](CCc3ccccc3)C2=O)C1)C(F)(F)F ZINC000793518546 1078198011 /nfs/dbraw/zinc/19/80/11/1078198011.db2.gz GOBYFICPMMUBFD-QZTJIDSGSA-N 1 1 411.468 2.816 20 0 HFADMO CCOC(=O)CC[C@@]1(C)NC(=O)N(C[NH+]2CCC(c3ccc(F)cc3C)CC2)C1=O ZINC000793545930 1078207542 /nfs/dbraw/zinc/20/75/42/1078207542.db2.gz OWTFZHBKDPSJDV-JOCHJYFZSA-N 1 1 419.497 2.925 20 0 HFADMO CCOC(=O)C1C(C[NH2+][C@@H]2CCC[C@H]2OC)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001170434308 1078212637 /nfs/dbraw/zinc/21/26/37/1078212637.db2.gz GLLWPOFIPNTPBJ-QGPMSJSTSA-N 1 1 407.898 2.668 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cn2c3cc(C)nn3c3ccccc3c2=O)C1 ZINC000793589532 1078216988 /nfs/dbraw/zinc/21/69/88/1078216988.db2.gz HPKQYSHHOSTEOA-XMMPIXPASA-N 1 1 416.481 2.732 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cn2c3cc(C)nn3c3ccccc3c2=O)C1 ZINC000793589532 1078216990 /nfs/dbraw/zinc/21/69/90/1078216990.db2.gz HPKQYSHHOSTEOA-XMMPIXPASA-N 1 1 416.481 2.732 20 0 HFADMO CCOC(=O)NCC(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000793596655 1078219239 /nfs/dbraw/zinc/21/92/39/1078219239.db2.gz WRROKDOKHPEVFJ-INIZCTEOSA-N 1 1 401.429 2.646 20 0 HFADMO COCC1(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793597698 1078219456 /nfs/dbraw/zinc/21/94/56/1078219456.db2.gz SIWQQALBCVUFSA-IBGZPJMESA-N 1 1 423.598 2.840 20 0 HFADMO CCOc1c(OC)cc(CN2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1OC ZINC000793604188 1078221879 /nfs/dbraw/zinc/22/18/79/1078221879.db2.gz OUOPGWIVGFYVMZ-QGZVFWFLSA-N 1 1 423.554 2.743 20 0 HFADMO CCOc1c(OC)cc(CN2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1OC ZINC000793604188 1078221882 /nfs/dbraw/zinc/22/18/82/1078221882.db2.gz OUOPGWIVGFYVMZ-QGZVFWFLSA-N 1 1 423.554 2.743 20 0 HFADMO CCOC(=O)c1ccc(C[NH2+]Cc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)o1 ZINC000793606711 1078223808 /nfs/dbraw/zinc/22/38/08/1078223808.db2.gz MALIIHXYBXVGOE-QFIPXVFZSA-N 1 1 411.458 2.971 20 0 HFADMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)NCc1ccc([C@@H](C)O)cc1 ZINC000793629670 1078233255 /nfs/dbraw/zinc/23/32/55/1078233255.db2.gz JOXXPOARPDUSQU-GCJKJVERSA-N 1 1 411.546 2.629 20 0 HFADMO COCC1(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793676101 1078250405 /nfs/dbraw/zinc/25/04/05/1078250405.db2.gz AVZPXXSDLDFPLL-MSOLQXFVSA-N 1 1 409.571 2.593 20 0 HFADMO C[N@H+]1CCC[C@H]2CN(C(=O)c3csc(CCNC(=O)OC(C)(C)C)n3)CC[C@H]21 ZINC000793676957 1078250860 /nfs/dbraw/zinc/25/08/60/1078250860.db2.gz FYRZTIRWBZIDRQ-GOEBONIOSA-N 1 1 408.568 2.767 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000793683238 1078253408 /nfs/dbraw/zinc/25/34/08/1078253408.db2.gz BWBWROIILMEHLD-AABGKKOBSA-N 1 1 401.551 2.683 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C[C@@H](c4cccnc4)CC3=O)CC[C@@H]21 ZINC000793711668 1078260808 /nfs/dbraw/zinc/26/08/08/1078260808.db2.gz WLRPHXXRCOPQDS-QYZOEREBSA-N 1 1 400.523 2.686 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C[C@@H](c4cccnc4)CC3=O)CC[C@@H]21 ZINC000793711668 1078260812 /nfs/dbraw/zinc/26/08/12/1078260812.db2.gz WLRPHXXRCOPQDS-QYZOEREBSA-N 1 1 400.523 2.686 20 0 HFADMO COCC1(C(=O)N(C)CCCn2cc[nH+]c2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793708836 1078277890 /nfs/dbraw/zinc/27/78/90/1078277890.db2.gz SAKQCHXDDAOYHV-UHFFFAOYSA-N 1 1 408.543 2.704 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000793695270 1078270978 /nfs/dbraw/zinc/27/09/78/1078270978.db2.gz NDZXVAAAEOVURD-URVUXULASA-N 1 1 423.557 2.987 20 0 HFADMO C[C@@H](COc1ccccc1)NC(=O)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793696895 1078272126 /nfs/dbraw/zinc/27/21/26/1078272126.db2.gz KQFFHCRYHSGTNF-PZJWPPBQSA-N 1 1 409.530 2.551 20 0 HFADMO C[C@@H](COc1ccccc1)NC(=O)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000793700284 1078273459 /nfs/dbraw/zinc/27/34/59/1078273459.db2.gz ZBKRXAOGQUEALN-VQTJNVASSA-N 1 1 409.530 2.693 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C(=O)C(C)(C)[C@@H]3[C@H]3CCCO3)CC[C@H]21 ZINC000793706053 1078276267 /nfs/dbraw/zinc/27/62/67/1078276267.db2.gz MHLKWFHYOFAGGH-TVFCKZIOSA-N 1 1 407.555 2.691 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C(=O)C(C)(C)[C@@H]3[C@H]3CCCO3)CC[C@H]21 ZINC000793706053 1078276270 /nfs/dbraw/zinc/27/62/70/1078276270.db2.gz MHLKWFHYOFAGGH-TVFCKZIOSA-N 1 1 407.555 2.691 20 0 HFADMO C[NH+]1CCC(CNC(=O)C(=O)NCC2CCCCCCC2)(N2CCCCC2)CC1 ZINC000793743214 1078287666 /nfs/dbraw/zinc/28/76/66/1078287666.db2.gz CPWAJIIYKOJNQU-UHFFFAOYSA-N 1 1 406.615 2.530 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000793807613 1078306357 /nfs/dbraw/zinc/30/63/57/1078306357.db2.gz IKAYCRRJTVYWEA-HXUWFJFHSA-N 1 1 418.501 2.731 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)[C@H](C)Cc1ccc(C)cc1 ZINC000793805539 1078304083 /nfs/dbraw/zinc/30/40/83/1078304083.db2.gz HRLZQDMWDGJVFA-QGZVFWFLSA-N 1 1 405.502 2.590 20 0 HFADMO CSc1ccccc1CN(C)C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000793806233 1078304956 /nfs/dbraw/zinc/30/49/56/1078304956.db2.gz LACRKXAXTOPRRA-UHFFFAOYSA-N 1 1 409.515 2.572 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC[C@@H]1c1ccc(C)cc1 ZINC000793809294 1078306519 /nfs/dbraw/zinc/30/65/19/1078306519.db2.gz HGFXCOSLVMMTON-HXUWFJFHSA-N 1 1 403.486 2.864 20 0 HFADMO COc1ccccc1[C@H]1CCCN1C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000793808586 1078306046 /nfs/dbraw/zinc/30/60/46/1078306046.db2.gz VSUBRNHACMYJTI-LJQANCHMSA-N 1 1 419.485 2.564 20 0 HFADMO CSC[C@@H]1CCCN(CN2C(=O)N[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000793797916 1078301100 /nfs/dbraw/zinc/30/11/00/1078301100.db2.gz RTXBNVMAPPQBCU-KNQAVFIVSA-N 1 1 416.591 2.606 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC[C@H]1Cc1ccccc1C ZINC000793810520 1078313898 /nfs/dbraw/zinc/31/38/98/1078313898.db2.gz PWTIUAMNWSOKSA-NRFANRHFSA-N 1 1 417.513 2.734 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H](C)c1ccc2ncsc2c1 ZINC000793811664 1078314952 /nfs/dbraw/zinc/31/49/52/1078314952.db2.gz YPVINZLLDZBKOK-CYBMUJFWSA-N 1 1 420.498 2.679 20 0 HFADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NOCc2ccc(C(F)(F)F)cc2)CC1=O ZINC000747149005 1078318365 /nfs/dbraw/zinc/31/83/65/1078318365.db2.gz FBVMRUFDRLMZBZ-DOTOQJQBSA-N 1 1 413.440 2.586 20 0 HFADMO Cc1ccc([C@H](C)NC(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)s1 ZINC000793870269 1078328935 /nfs/dbraw/zinc/32/89/35/1078328935.db2.gz WUMSEBSMCBOKMJ-WMZOPIPTSA-N 1 1 417.600 2.968 20 0 HFADMO Cc1ccc([C@H](C)NC(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)s1 ZINC000793870269 1078328940 /nfs/dbraw/zinc/32/89/40/1078328940.db2.gz WUMSEBSMCBOKMJ-WMZOPIPTSA-N 1 1 417.600 2.968 20 0 HFADMO Cc1ccc([C@H](C)NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)s1 ZINC000793855091 1078324472 /nfs/dbraw/zinc/32/44/72/1078324472.db2.gz XRZJVGCBIDMMBH-HKUYNNGSSA-N 1 1 415.559 2.641 20 0 HFADMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000793874051 1078330477 /nfs/dbraw/zinc/33/04/77/1078330477.db2.gz KORMLIOHJPUUIQ-IRXDYDNUSA-N 1 1 417.550 2.901 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000793874051 1078330479 /nfs/dbraw/zinc/33/04/79/1078330479.db2.gz KORMLIOHJPUUIQ-IRXDYDNUSA-N 1 1 417.550 2.901 20 0 HFADMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000793873863 1078330806 /nfs/dbraw/zinc/33/08/06/1078330806.db2.gz IUXZQMPGYQCIRG-HOTGVXAUSA-N 1 1 403.523 2.511 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000793873863 1078330810 /nfs/dbraw/zinc/33/08/10/1078330810.db2.gz IUXZQMPGYQCIRG-HOTGVXAUSA-N 1 1 403.523 2.511 20 0 HFADMO Cc1nc2c(s1)[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c3ccccc3)C1)CCC2 ZINC000793931405 1078341185 /nfs/dbraw/zinc/34/11/85/1078341185.db2.gz OHDUPKZIWJLOKP-UCLAIMLFSA-N 1 1 412.559 2.897 20 0 HFADMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(-c3ccccc3Br)n2C)[C@H](C)C1 ZINC000793876580 1078331554 /nfs/dbraw/zinc/33/15/54/1078331554.db2.gz YCKLYINXMZLEEF-CABCVRRESA-N 1 1 420.351 2.982 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(-c3ccccc3Br)n2C)[C@H](C)C1 ZINC000793876580 1078331558 /nfs/dbraw/zinc/33/15/58/1078331558.db2.gz YCKLYINXMZLEEF-CABCVRRESA-N 1 1 420.351 2.982 20 0 HFADMO CCCCCCn1nc(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c2ccccc2c1=O ZINC000793876547 1078331827 /nfs/dbraw/zinc/33/18/27/1078331827.db2.gz XPGOYZPVKRCFFW-QZTJIDSGSA-N 1 1 414.550 2.504 20 0 HFADMO CCCCCCn1nc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c2ccccc2c1=O ZINC000793876547 1078331828 /nfs/dbraw/zinc/33/18/28/1078331828.db2.gz XPGOYZPVKRCFFW-QZTJIDSGSA-N 1 1 414.550 2.504 20 0 HFADMO CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N3CC[N@H+](CCO)C(C)(C)C3)ccc21 ZINC000793887301 1078342941 /nfs/dbraw/zinc/34/29/41/1078342941.db2.gz LDXMCFYRLWTADD-UHFFFAOYSA-N 1 1 417.550 2.903 20 0 HFADMO CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N3CC[N@@H+](CCO)C(C)(C)C3)ccc21 ZINC000793887301 1078342945 /nfs/dbraw/zinc/34/29/45/1078342945.db2.gz LDXMCFYRLWTADD-UHFFFAOYSA-N 1 1 417.550 2.903 20 0 HFADMO Cn1cc[nH+]c1N1CCC(NC(=O)c2ccc(-n3cnc4ccccc43)nc2)CC1 ZINC000793952272 1078345626 /nfs/dbraw/zinc/34/56/26/1078345626.db2.gz LXGXRALDPMSNHI-UHFFFAOYSA-N 1 1 401.474 2.553 20 0 HFADMO Cn1ccnc1[C@@](O)(CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000747163632 1078349313 /nfs/dbraw/zinc/34/93/13/1078349313.db2.gz JRSPBLUEUTUJHC-PXNSSMCTSA-N 1 1 424.467 2.589 20 0 HFADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000793945080 1078354316 /nfs/dbraw/zinc/35/43/16/1078354316.db2.gz BVNKTITWSBZFDQ-CMKODMSKSA-N 1 1 407.599 2.667 20 0 HFADMO Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000793946705 1078354637 /nfs/dbraw/zinc/35/46/37/1078354637.db2.gz MCUZOBLKJCSMKU-UHFFFAOYSA-N 1 1 420.539 2.931 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCOC[C@]2(CC[C@@H](Cn3cccn3)O2)C1 ZINC001170441707 1078356803 /nfs/dbraw/zinc/35/68/03/1078356803.db2.gz JTHDDWKLXRANKV-QTEQDKRBSA-N 1 1 413.518 2.883 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H](NC(=O)C2CC2)[C@H]2OCCC[C@H]2C1 ZINC001170443422 1078377609 /nfs/dbraw/zinc/37/76/09/1078377609.db2.gz OSUWANXEVVETOO-VWNVYAMZSA-N 1 1 400.519 2.742 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@H]2OCC(=O)N(c3cccc(F)c3)[C@@H]2C1 ZINC001170443939 1078391995 /nfs/dbraw/zinc/39/19/95/1078391995.db2.gz RNNQMQZVMFDSHP-LRXVAGHRSA-N 1 1 412.461 2.992 20 0 HFADMO CC(C)n1cc(C(=O)NN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nn1 ZINC000794210278 1078393888 /nfs/dbraw/zinc/39/38/88/1078393888.db2.gz KKUNLGHBDFULQC-UHFFFAOYSA-N 1 1 404.518 2.911 20 0 HFADMO C[N@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000794375078 1078430074 /nfs/dbraw/zinc/43/00/74/1078430074.db2.gz HWJRVKKTIDBRJF-RHSMWYFYSA-N 1 1 411.930 2.653 20 0 HFADMO C[N@@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000794375078 1078430075 /nfs/dbraw/zinc/43/00/75/1078430075.db2.gz HWJRVKKTIDBRJF-RHSMWYFYSA-N 1 1 411.930 2.653 20 0 HFADMO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)C[C@H](O)CCNC(=O)OC(C)(C)C)cn1 ZINC000794375740 1078430507 /nfs/dbraw/zinc/43/05/07/1078430507.db2.gz VQCNJDHNADCOQJ-MOPGFXCFSA-N 1 1 406.502 2.856 20 0 HFADMO Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)C[C@H](O)CCNC(=O)OC(C)(C)C)cn1 ZINC000794375740 1078430509 /nfs/dbraw/zinc/43/05/09/1078430509.db2.gz VQCNJDHNADCOQJ-MOPGFXCFSA-N 1 1 406.502 2.856 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@H](O)C[NH+]1CCN(Cc2nc3ccccc3s2)CC1 ZINC000794402104 1078436043 /nfs/dbraw/zinc/43/60/43/1078436043.db2.gz WFRQJXZMMDWNSM-INIZCTEOSA-N 1 1 420.579 2.690 20 0 HFADMO CC[N@@H+]1CCN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)[C@H](C)C1 ZINC000804379947 1078439947 /nfs/dbraw/zinc/43/99/47/1078439947.db2.gz RPDIFQKGVALANL-CYBMUJFWSA-N 1 1 401.960 2.583 20 0 HFADMO CC[N@H+]1CCN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)[C@H](C)C1 ZINC000804379947 1078439948 /nfs/dbraw/zinc/43/99/48/1078439948.db2.gz RPDIFQKGVALANL-CYBMUJFWSA-N 1 1 401.960 2.583 20 0 HFADMO CC[N@@H+]1CCN(C(=O)c2cnn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)[C@H](C)C1 ZINC000804378847 1078455332 /nfs/dbraw/zinc/45/53/32/1078455332.db2.gz CIULSALLBSJTDC-AEFFLSMTSA-N 1 1 405.543 2.621 20 0 HFADMO CC[N@H+]1CCN(C(=O)c2cnn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)[C@H](C)C1 ZINC000804378847 1078455335 /nfs/dbraw/zinc/45/53/35/1078455335.db2.gz CIULSALLBSJTDC-AEFFLSMTSA-N 1 1 405.543 2.621 20 0 HFADMO Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC000804429720 1078474941 /nfs/dbraw/zinc/47/49/41/1078474941.db2.gz NQJZXBRTKZLYLG-AUSIDOKSSA-N 1 1 423.557 2.656 20 0 HFADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)C1 ZINC001129800544 1078476837 /nfs/dbraw/zinc/47/68/37/1078476837.db2.gz PLDOIIWLFVOUMN-UEXGIBASSA-N 1 1 405.539 2.657 20 0 HFADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001129505266 1078499053 /nfs/dbraw/zinc/49/90/53/1078499053.db2.gz CNVNNYSBJYGYPF-NVXWUHKLSA-N 1 1 401.457 2.954 20 0 HFADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CN1c2ccccc2OC(F)(F)C1=O ZINC001129505646 1078499266 /nfs/dbraw/zinc/49/92/66/1078499266.db2.gz FIQKUVVUUBZSRB-OAHLLOKOSA-N 1 1 403.429 2.642 20 0 HFADMO CCn1nc(C)c(C(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1Cl ZINC000804448837 1078516741 /nfs/dbraw/zinc/51/67/41/1078516741.db2.gz QXMHZIMVQITXMS-IBGZPJMESA-N 1 1 415.969 2.897 20 0 HFADMO C[C@H]1CN(C(=O)[C@H](c2ccccc2F)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001129827931 1078522144 /nfs/dbraw/zinc/52/21/44/1078522144.db2.gz DIJVBRBCFZKCRK-CVDCTZTESA-N 1 1 411.521 2.932 20 0 HFADMO C[C@H]1CN(C(=O)[C@H](c2ccccc2F)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001129827931 1078522150 /nfs/dbraw/zinc/52/21/50/1078522150.db2.gz DIJVBRBCFZKCRK-CVDCTZTESA-N 1 1 411.521 2.932 20 0 HFADMO C[C@@H]1CN(C(=O)[C@H](c2ccccc2F)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001129827934 1078522331 /nfs/dbraw/zinc/52/23/31/1078522331.db2.gz DIJVBRBCFZKCRK-XXBNENTESA-N 1 1 411.521 2.932 20 0 HFADMO C[C@@H]1CN(C(=O)[C@H](c2ccccc2F)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001129827934 1078522332 /nfs/dbraw/zinc/52/23/32/1078522332.db2.gz DIJVBRBCFZKCRK-XXBNENTESA-N 1 1 411.521 2.932 20 0 HFADMO COc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1N1CCNC1=O ZINC001129829624 1078523333 /nfs/dbraw/zinc/52/33/33/1078523333.db2.gz YQTFVDYHJLXMQN-KRWDZBQOSA-N 1 1 408.502 2.571 20 0 HFADMO COc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1N1CCNC1=O ZINC001129829624 1078523339 /nfs/dbraw/zinc/52/33/39/1078523339.db2.gz YQTFVDYHJLXMQN-KRWDZBQOSA-N 1 1 408.502 2.571 20 0 HFADMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)C1 ZINC001129801900 1078525924 /nfs/dbraw/zinc/52/59/24/1078525924.db2.gz SOFCYGSJCWPEMB-OAHLLOKOSA-N 1 1 406.577 2.869 20 0 HFADMO COC(=O)c1cnc(N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)cc1C(F)(F)F ZINC000804463985 1078527526 /nfs/dbraw/zinc/52/75/26/1078527526.db2.gz LIZFLYIVBKFDLW-CQSZACIVSA-N 1 1 423.439 2.905 20 0 HFADMO CC(=O)c1ccc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c(S(N)(=O)=O)c1 ZINC000804528301 1078566542 /nfs/dbraw/zinc/56/65/42/1078566542.db2.gz YWEXFQIRDNJANI-MRXNPFEDSA-N 1 1 401.532 2.637 20 0 HFADMO O=C(N1CCC[C@H](n2ccnn2)C1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001129933248 1078598465 /nfs/dbraw/zinc/59/84/65/1078598465.db2.gz QZLJJUZQCZGYOH-HKUYNNGSSA-N 1 1 407.440 2.896 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000804777370 1078602381 /nfs/dbraw/zinc/60/23/81/1078602381.db2.gz ZUHWRYSMHKKSFZ-XTFSCAMASA-N 1 1 406.490 2.922 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000804776859 1078603479 /nfs/dbraw/zinc/60/34/79/1078603479.db2.gz INQHNCCMIDOGLU-ZIBIDDQLSA-N 1 1 419.591 2.690 20 0 HFADMO C[N@@H+](CCC(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1)C1CCCCC1 ZINC000804761222 1078611335 /nfs/dbraw/zinc/61/13/35/1078611335.db2.gz YYAVNLJRVFFCLP-HXUWFJFHSA-N 1 1 422.614 2.795 20 0 HFADMO CC[N@@H+](C)Cc1cccc(CNC(=O)CCNS(=O)(=O)/C=C\c2ccccc2)c1 ZINC000747213372 1078625467 /nfs/dbraw/zinc/62/54/67/1078625467.db2.gz CJESYZFPEZLTEO-SQFISAMPSA-N 1 1 415.559 2.735 20 0 HFADMO COC(=O)c1sc(N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)nc1Cl ZINC000804808448 1078637498 /nfs/dbraw/zinc/63/74/98/1078637498.db2.gz UHDAEEPFMBGVGO-MRXNPFEDSA-N 1 1 420.966 2.980 20 0 HFADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC[C@@H](N4CCCC4=O)CC3)cc2)C[C@@H](C)O1 ZINC001129705824 1078653346 /nfs/dbraw/zinc/65/33/46/1078653346.db2.gz QODMSAOUIVNKBJ-WOIUINJBSA-N 1 1 413.562 2.913 20 0 HFADMO C[N@@H+](CCNC(=O)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)C1CCCC1 ZINC000804818755 1078659763 /nfs/dbraw/zinc/65/97/63/1078659763.db2.gz XEMRFNGCJHSSIR-FQEVSTJZSA-N 1 1 421.969 2.603 20 0 HFADMO C[C@@H](NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1)c1cccc(OC(F)(F)F)c1 ZINC000804819470 1078660805 /nfs/dbraw/zinc/66/08/05/1078660805.db2.gz WCROTMRSJQAGPI-CYBMUJFWSA-N 1 1 401.429 2.753 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cnc(OCC2CC2)cn1 ZINC001129971180 1078665186 /nfs/dbraw/zinc/66/51/86/1078665186.db2.gz XDBNAOLXBYCONQ-TZIWHRDSSA-N 1 1 410.518 2.532 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000804828816 1078667691 /nfs/dbraw/zinc/66/76/91/1078667691.db2.gz AXDOWWALBGSGOO-JOCHJYFZSA-N 1 1 422.573 2.882 20 0 HFADMO C[NH+](C)[C@H](C(=O)N(CCN1CCOCC1)Cc1ccco1)c1ccc(Cl)cc1 ZINC001129736457 1078683419 /nfs/dbraw/zinc/68/34/19/1078683419.db2.gz MLRUHPFOQGGBLK-FQEVSTJZSA-N 1 1 405.926 2.897 20 0 HFADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000804868124 1078692289 /nfs/dbraw/zinc/69/22/89/1078692289.db2.gz WRRFHKNHQLVWND-UHFFFAOYSA-N 1 1 414.481 2.878 20 0 HFADMO CC[C@H](CNC(=O)NCC1CCN(C(=O)OC)CC1)[N@H+]1CCc2ccccc2C1 ZINC000804908232 1078730842 /nfs/dbraw/zinc/73/08/42/1078730842.db2.gz JUBJRKJMHIWFBF-HXUWFJFHSA-N 1 1 402.539 2.601 20 0 HFADMO CCc1ccc([C@H](O)CNC(=O)NCc2ccccc2C[NH+]2CCN(CC)CC2)cc1 ZINC000804949013 1078777830 /nfs/dbraw/zinc/77/78/30/1078777830.db2.gz GJOTVFGTMYKSKK-XMMPIXPASA-N 1 1 424.589 2.919 20 0 HFADMO C[C@@H]1C[N@H+](Cc2cccc(CNS(=O)(=O)c3cnc(Cl)c(F)c3)c2)CCO1 ZINC000804967631 1078804005 /nfs/dbraw/zinc/80/40/05/1078804005.db2.gz AFSOUQMXKXHZLV-CYBMUJFWSA-N 1 1 413.902 2.573 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2cccc(CNS(=O)(=O)c3cnc(Cl)c(F)c3)c2)CCO1 ZINC000804967631 1078804013 /nfs/dbraw/zinc/80/40/13/1078804013.db2.gz AFSOUQMXKXHZLV-CYBMUJFWSA-N 1 1 413.902 2.573 20 0 HFADMO CC(C)N(C(=O)CCn1nnc2ccccc2c1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001130055257 1078841095 /nfs/dbraw/zinc/84/10/95/1078841095.db2.gz FDFRRQXZODXNMY-FQEVSTJZSA-N 1 1 419.529 2.693 20 0 HFADMO CC(C)(C)OC(=O)NCCNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000805055001 1078867269 /nfs/dbraw/zinc/86/72/69/1078867269.db2.gz RHHGALADKWWWAD-QFIPXVFZSA-N 1 1 402.539 2.819 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Cl)c(I)c1 ZINC000747229010 1078887904 /nfs/dbraw/zinc/88/79/04/1078887904.db2.gz IHDDTOHVGMWPDN-VXGBXAGGSA-N 1 1 420.678 2.538 20 0 HFADMO C[C@H](NC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1F ZINC000805075423 1078907339 /nfs/dbraw/zinc/90/73/39/1078907339.db2.gz XEDRFZPOOMLCSA-FPMFFAJLSA-N 1 1 400.292 2.812 20 0 HFADMO CCOCCC[N@H+]1CC[C@H](NC(=O)NCc2cccc(NC(=O)OC)c2)[C@H](C)C1 ZINC000805124514 1078923106 /nfs/dbraw/zinc/92/31/06/1078923106.db2.gz OTISDUVQQUIHQK-APWZRJJASA-N 1 1 406.527 2.801 20 0 HFADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805137841 1078934323 /nfs/dbraw/zinc/93/43/23/1078934323.db2.gz JYFBDOSMBSWOSY-XMSQKQJNSA-N 1 1 424.586 2.530 20 0 HFADMO Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)C[C@H]3CCC[N@H+]3C)c2)cc1 ZINC001130097833 1078948060 /nfs/dbraw/zinc/94/80/60/1078948060.db2.gz GNPBPCDKLHOPPQ-HXUWFJFHSA-N 1 1 415.559 2.986 20 0 HFADMO C[C@@]1(CNC(=O)C(=O)N2CC[C@@H](c3ccccn3)C2)CCC[N@H+]1Cc1ccccc1 ZINC000805199380 1078952687 /nfs/dbraw/zinc/95/26/87/1078952687.db2.gz ZAHJVUHNXHPXGT-YKSBVNFPSA-N 1 1 406.530 2.568 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000747232079 1078956501 /nfs/dbraw/zinc/95/65/01/1078956501.db2.gz QZQAAUHDJBMNHZ-VWPQPMDRSA-N 1 1 406.482 2.734 20 0 HFADMO CCOC(=O)N1CC[C@@H](NC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000805301330 1078995911 /nfs/dbraw/zinc/99/59/11/1078995911.db2.gz LDHZHBYLDYMFAU-KNQAVFIVSA-N 1 1 400.523 2.525 20 0 HFADMO COCC(C)(C)[NH+]1CCN(C(=O)c2cccc(C(=O)N(C)CC(C)(C)C)c2)CC1 ZINC001130117187 1078987098 /nfs/dbraw/zinc/98/70/98/1078987098.db2.gz BNLBNGOITBXWAH-UHFFFAOYSA-N 1 1 403.567 2.988 20 0 HFADMO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000805284794 1079009897 /nfs/dbraw/zinc/00/98/97/1079009897.db2.gz YVZFSTROHRCWMU-RTWAWAEBSA-N 1 1 417.550 2.747 20 0 HFADMO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000805284794 1079009900 /nfs/dbraw/zinc/00/99/00/1079009900.db2.gz YVZFSTROHRCWMU-RTWAWAEBSA-N 1 1 417.550 2.747 20 0 HFADMO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(I)c1O ZINC000805334048 1079023303 /nfs/dbraw/zinc/02/33/03/1079023303.db2.gz UUVLCJOJFSNEGS-RISCZKNCSA-N 1 1 400.260 2.696 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)ccc1F ZINC000747238481 1079028319 /nfs/dbraw/zinc/02/83/19/1079028319.db2.gz DZLPJEOGSQHHRU-UHFFFAOYSA-N 1 1 420.506 2.728 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)ccc1F ZINC000747238481 1079028328 /nfs/dbraw/zinc/02/83/28/1079028328.db2.gz DZLPJEOGSQHHRU-UHFFFAOYSA-N 1 1 420.506 2.728 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000805397738 1079039537 /nfs/dbraw/zinc/03/95/37/1079039537.db2.gz UORDOPSJLMHLKT-APWZRJJASA-N 1 1 413.440 2.646 20 0 HFADMO CC[C@@H]1CN(C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)S1(=O)=O ZINC000805437012 1079063811 /nfs/dbraw/zinc/06/38/11/1079063811.db2.gz FTUGRGYREZRZFB-QFUCXCTJSA-N 1 1 407.580 2.506 20 0 HFADMO COc1ccccc1CONC(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000805444872 1079068550 /nfs/dbraw/zinc/06/85/50/1079068550.db2.gz VJCNAIVMNWEUQC-QFIPXVFZSA-N 1 1 424.545 2.729 20 0 HFADMO COC(=O)c1nnn(-c2ccccc2)c1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001130201907 1079100962 /nfs/dbraw/zinc/10/09/62/1079100962.db2.gz WNSVVXNCMOQYRK-GOSISDBHSA-N 1 1 419.485 2.905 20 0 HFADMO CS(=O)(=O)c1ccc(OCCOC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000805451975 1079101493 /nfs/dbraw/zinc/10/14/93/1079101493.db2.gz JCTZQKVFJKUODU-LJQANCHMSA-N 1 1 417.527 2.924 20 0 HFADMO CC(C)=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)n1 ZINC001130223457 1079105796 /nfs/dbraw/zinc/10/57/96/1079105796.db2.gz VBDDYSHHOCQWNF-FKSLSLAPSA-N 1 1 401.555 2.676 20 0 HFADMO CC(C)=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)n[nH]1 ZINC001130223457 1079105799 /nfs/dbraw/zinc/10/57/99/1079105799.db2.gz VBDDYSHHOCQWNF-FKSLSLAPSA-N 1 1 401.555 2.676 20 0 HFADMO O=C(NC[C@H]1CCC=CO1)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000805515844 1079114554 /nfs/dbraw/zinc/11/45/54/1079114554.db2.gz WPBADPXVUCJMBR-RBUKOAKNSA-N 1 1 405.926 2.620 20 0 HFADMO O=C(NC[C@H]1CCC=CO1)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000805515844 1079114555 /nfs/dbraw/zinc/11/45/55/1079114555.db2.gz WPBADPXVUCJMBR-RBUKOAKNSA-N 1 1 405.926 2.620 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H](C)C2)c(Cl)cc1Cl ZINC000747246606 1079123237 /nfs/dbraw/zinc/12/32/37/1079123237.db2.gz FRRCOYXQFONOSY-NSHDSACASA-N 1 1 409.335 2.790 20 0 HFADMO CC(C)(C(=O)OCC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)[NH+]1CCCC1 ZINC000805613162 1079175122 /nfs/dbraw/zinc/17/51/22/1079175122.db2.gz KVCGMXXYAYVATH-UHFFFAOYSA-N 1 1 416.518 2.761 20 0 HFADMO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)OC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC000805615220 1079175624 /nfs/dbraw/zinc/17/56/24/1079175624.db2.gz ZTEGYIHHYJFZSZ-INIZCTEOSA-N 1 1 403.523 2.913 20 0 HFADMO CN(CC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1ccc(Br)s1 ZINC001130301347 1079193198 /nfs/dbraw/zinc/19/31/98/1079193198.db2.gz LRKPJWZIDOUWME-QWHCGFSZSA-N 1 1 414.369 2.716 20 0 HFADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)c2ccc3oc(=O)[nH]c3c2)CC1 ZINC000805655018 1079205613 /nfs/dbraw/zinc/20/56/13/1079205613.db2.gz BVRWELZPQVHJQJ-OAHLLOKOSA-N 1 1 409.442 2.596 20 0 HFADMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C1 ZINC000747260257 1079212395 /nfs/dbraw/zinc/21/23/95/1079212395.db2.gz CXQBVLYQVMUDDE-LLVKDONJSA-N 1 1 409.335 2.790 20 0 HFADMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805749948 1079230442 /nfs/dbraw/zinc/23/04/42/1079230442.db2.gz VJFJCJUEHYQSQG-HKUYNNGSSA-N 1 1 402.539 2.934 20 0 HFADMO COc1nc(C)cc(C)c1C[N@H+]1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805758711 1079260789 /nfs/dbraw/zinc/26/07/89/1079260789.db2.gz OVIFMNCRIPTQKH-SFHVURJKSA-N 1 1 404.555 2.834 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000805766034 1079268237 /nfs/dbraw/zinc/26/82/37/1079268237.db2.gz VYJJVOIHRXGEAP-QGZVFWFLSA-N 1 1 419.522 2.801 20 0 HFADMO Cc1oc(CO)cc1C(=O)OCC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000805836617 1079275440 /nfs/dbraw/zinc/27/54/40/1079275440.db2.gz UTVUXIPTRQKUPB-UHFFFAOYSA-N 1 1 422.481 2.735 20 0 HFADMO CCCCOC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000805811041 1079285914 /nfs/dbraw/zinc/28/59/14/1079285914.db2.gz MCFGRMWPCXKGJE-SFHVURJKSA-N 1 1 401.507 2.526 20 0 HFADMO CCCCOC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000805811041 1079285919 /nfs/dbraw/zinc/28/59/19/1079285919.db2.gz MCFGRMWPCXKGJE-SFHVURJKSA-N 1 1 401.507 2.526 20 0 HFADMO NC(=O)COc1ccc(C[N@H+]2CCCC[C@@H]2COC(=O)NC2CCCCC2)cc1 ZINC000805826770 1079296050 /nfs/dbraw/zinc/29/60/50/1079296050.db2.gz JFCMOTSAHSCDPB-LJQANCHMSA-N 1 1 403.523 2.964 20 0 HFADMO CNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000805826911 1079297148 /nfs/dbraw/zinc/29/71/48/1079297148.db2.gz CEZSQAGFFXAYHM-MSOLQXFVSA-N 1 1 419.522 2.578 20 0 HFADMO CNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000805826911 1079297153 /nfs/dbraw/zinc/29/71/53/1079297153.db2.gz CEZSQAGFFXAYHM-MSOLQXFVSA-N 1 1 419.522 2.578 20 0 HFADMO C[C@@H](OC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)C(=O)NCCc1ccncc1 ZINC000805979199 1079384508 /nfs/dbraw/zinc/38/45/08/1079384508.db2.gz LBPYYSWYXBUDCA-CYBMUJFWSA-N 1 1 415.400 2.504 20 0 HFADMO CC[C@@H]1CC([N@H+]2CCN(CC(N)=O)C(C)(C)C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170494417 1079376888 /nfs/dbraw/zinc/37/68/88/1079376888.db2.gz VCZKKMYRGNXQBL-IAGOWNOFSA-N 1 1 410.603 2.825 20 0 HFADMO C[C@@H](CNC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130472216 1079398918 /nfs/dbraw/zinc/39/89/18/1079398918.db2.gz NOAKXTQXDFTKKR-PNYFIKQUSA-N 1 1 419.566 2.941 20 0 HFADMO C[C@@H](CNC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130472216 1079398924 /nfs/dbraw/zinc/39/89/24/1079398924.db2.gz NOAKXTQXDFTKKR-PNYFIKQUSA-N 1 1 419.566 2.941 20 0 HFADMO Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000806041983 1079410770 /nfs/dbraw/zinc/41/07/70/1079410770.db2.gz MPGLJZKSZZWDNN-AJSBUHFISA-N 1 1 423.557 2.656 20 0 HFADMO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000806041271 1079411214 /nfs/dbraw/zinc/41/12/14/1079411214.db2.gz GEGLVROXSXMNFE-PVAVHDDUSA-N 1 1 423.989 2.763 20 0 HFADMO O=C(CCNC(=O)c1ccc(Br)cc1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001130517975 1079448795 /nfs/dbraw/zinc/44/87/95/1079448795.db2.gz BRXYKRGKABDIFT-IRXDYDNUSA-N 1 1 408.340 2.702 20 0 HFADMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001130518225 1079449474 /nfs/dbraw/zinc/44/94/74/1079449474.db2.gz ILSABPOKXLRZIM-WOJBJXKFSA-N 1 1 405.564 2.608 20 0 HFADMO CC(C)C[N@@H+](C)CCCNC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)OC(C)(C)C)C2 ZINC001130523673 1079459136 /nfs/dbraw/zinc/45/91/36/1079459136.db2.gz IMDWAYFDJGVDGC-MRXNPFEDSA-N 1 1 407.559 2.730 20 0 HFADMO CC(=O)[C@@H]1C[C@H](C(=O)Nc2ccc(OCCC[NH+]3CCN(C)CC3)cc2)C1(C)C ZINC001130542389 1079462800 /nfs/dbraw/zinc/46/28/00/1079462800.db2.gz UTQXZOMSOUYUTB-LEWJYISDSA-N 1 1 401.551 2.893 20 0 HFADMO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1Cc2cccc(C)c2CC1(C)C ZINC001170500557 1079462817 /nfs/dbraw/zinc/46/28/17/1079462817.db2.gz IZGUJBQGNLNDBK-UHFFFAOYSA-N 1 1 401.532 2.726 20 0 HFADMO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1Cc2cccc(C)c2CC1(C)C ZINC001170500557 1079462821 /nfs/dbraw/zinc/46/28/21/1079462821.db2.gz 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O=C1C(=O)N(CN2CC[NH+](C3CCC3)CC2)c2ccc(Br)c(Cl)c21 ZINC000788049555 1077041605 /nfs/dbraw/zinc/04/16/05/1077041605.db2.gz YCFQONAJGMXHOF-UHFFFAOYSA-N 1 1 412.715 2.759 20 0 HFADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000746725651 1077055992 /nfs/dbraw/zinc/05/59/92/1077055992.db2.gz ZRTPRUKEGGDEGU-OAHLLOKOSA-N 1 1 422.327 2.867 20 0 HFADMO C[C@H](OC(=O)[C@H](C)N1CCc2ccccc21)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000788137810 1077062657 /nfs/dbraw/zinc/06/26/57/1077062657.db2.gz NQRDZEMQTAARMF-IPJJNNNSSA-N 1 1 421.541 2.760 20 0 HFADMO CN1CCC([N@H+]2CC[C@H](NC(=O)NOCc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000746731548 1077070581 /nfs/dbraw/zinc/07/05/81/1077070581.db2.gz RTLAOTFVCDXNGS-INIZCTEOSA-N 1 1 400.445 2.605 20 0 HFADMO C[NH+]1CCC(N2CC[C@H](NC(=O)NOCc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000746731548 1077070584 /nfs/dbraw/zinc/07/05/84/1077070584.db2.gz RTLAOTFVCDXNGS-INIZCTEOSA-N 1 1 400.445 2.605 20 0 HFADMO CN(CCCCO)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000788278648 1077096250 /nfs/dbraw/zinc/09/62/50/1077096250.db2.gz IXOBFUIGMWYEHF-UHFFFAOYSA-N 1 1 410.562 2.652 20 0 HFADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)NOCc2ccc(C(F)(F)F)cc2)CC1 ZINC000746740078 1077100816 /nfs/dbraw/zinc/10/08/16/1077100816.db2.gz CLRZWUPJCDLVQA-OAHLLOKOSA-N 1 1 402.461 2.710 20 0 HFADMO CCOC(=O)CC[N@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000772719144 1077121775 /nfs/dbraw/zinc/12/17/75/1077121775.db2.gz VUPFQMNWDJSNNU-UHFFFAOYSA-N 1 1 401.438 2.902 20 0 HFADMO CCOC(=O)CC[N@@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000772719144 1077121776 /nfs/dbraw/zinc/12/17/76/1077121776.db2.gz VUPFQMNWDJSNNU-UHFFFAOYSA-N 1 1 401.438 2.902 20 0 HFADMO O=C(c1cc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)ccn1)N1CCCCC1 ZINC000788464345 1077168700 /nfs/dbraw/zinc/16/87/00/1077168700.db2.gz NTNYNTNHPFDCAU-UHFFFAOYSA-N 1 1 422.529 2.801 20 0 HFADMO CC(C)(C)OC(=O)NC(C)(C)c1noc(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)n1 ZINC000788469966 1077169958 /nfs/dbraw/zinc/16/99/58/1077169958.db2.gz STJXZMWAQCGURT-JKSUJKDBSA-N 1 1 423.558 2.562 20 0 HFADMO NC(=O)C[N@@H+]1CCc2ccc(NCc3ccccc3I)cc2C1 ZINC000788529340 1077204192 /nfs/dbraw/zinc/20/41/92/1077204192.db2.gz LJTJLESQODXHSR-UHFFFAOYSA-N 1 1 421.282 2.747 20 0 HFADMO NC(=O)C[N@H+]1CCc2ccc(NCc3ccccc3I)cc2C1 ZINC000788529340 1077204195 /nfs/dbraw/zinc/20/41/95/1077204195.db2.gz LJTJLESQODXHSR-UHFFFAOYSA-N 1 1 421.282 2.747 20 0 HFADMO C[C@@H]1CN(c2ccc(NC(=O)N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C[C@@H](C)O1 ZINC000788588025 1077213507 /nfs/dbraw/zinc/21/35/07/1077213507.db2.gz ISXMVDAGASSLBG-FCGDIQPGSA-N 1 1 404.555 2.873 20 0 HFADMO C[C@@H]1CN(c2ccc(NC(=O)N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C[C@@H](C)O1 ZINC000788588025 1077213509 /nfs/dbraw/zinc/21/35/09/1077213509.db2.gz ISXMVDAGASSLBG-FCGDIQPGSA-N 1 1 404.555 2.873 20 0 HFADMO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000788601517 1077219878 /nfs/dbraw/zinc/21/98/78/1077219878.db2.gz BOKONOVIOOZUJE-QZTJIDSGSA-N 1 1 402.564 2.845 20 0 HFADMO CC(C)OC(=O)NCc1ccc(NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000788604170 1077220522 /nfs/dbraw/zinc/22/05/22/1077220522.db2.gz HOYIDHXLFRZOQG-UHFFFAOYSA-N 1 1 406.527 2.896 20 0 HFADMO CC(C)OC(=O)NCc1ccc(NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC000788604170 1077220525 /nfs/dbraw/zinc/22/05/25/1077220525.db2.gz HOYIDHXLFRZOQG-UHFFFAOYSA-N 1 1 406.527 2.896 20 0 HFADMO C[NH+](C)[C@H](CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)c1ccco1 ZINC000788620772 1077231536 /nfs/dbraw/zinc/23/15/36/1077231536.db2.gz IGOHUAKATDZCGG-GUDVDZBRSA-N 1 1 422.485 2.590 20 0 HFADMO COC(=O)c1sc(S(=O)(=O)NCCCCn2cc[nH+]c2C)c(C)c1Cl ZINC000788635941 1077240313 /nfs/dbraw/zinc/24/03/13/1077240313.db2.gz XGQYHHFSOPGTRU-UHFFFAOYSA-N 1 1 405.929 2.760 20 0 HFADMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)C[C@H]1C ZINC000788635437 1077240975 /nfs/dbraw/zinc/24/09/75/1077240975.db2.gz YJAIYKAHGLQWID-PWSUYJOCSA-N 1 1 408.973 2.990 20 0 HFADMO C[C@H](CNC(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)[N@H+]1CCCC[C@@H]1C ZINC000790905910 1077243936 /nfs/dbraw/zinc/24/39/36/1077243936.db2.gz AEXUDQLTFKAJAV-ZSYWTGECSA-N 1 1 416.566 2.618 20 0 HFADMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000788643163 1077244469 /nfs/dbraw/zinc/24/44/69/1077244469.db2.gz JLOVROOFLIYFQK-FFZOFVMBSA-N 1 1 410.518 2.569 20 0 HFADMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000788643165 1077244726 /nfs/dbraw/zinc/24/47/26/1077244726.db2.gz JLOVROOFLIYFQK-UXPWSPDFSA-N 1 1 410.518 2.569 20 0 HFADMO CCOC(=O)[C@@H]1[C@H](N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000788690162 1077251764 /nfs/dbraw/zinc/25/17/64/1077251764.db2.gz WMCWJRNIVCSCNF-WTGUMLROSA-N 1 1 417.550 2.963 20 0 HFADMO CCOC(=O)[C@@H]1[C@H](N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000788690162 1077251767 /nfs/dbraw/zinc/25/17/67/1077251767.db2.gz WMCWJRNIVCSCNF-WTGUMLROSA-N 1 1 417.550 2.963 20 0 HFADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000788665002 1077259161 /nfs/dbraw/zinc/25/91/61/1077259161.db2.gz IJAPJAKQRGCKDX-CYBMUJFWSA-N 1 1 406.880 2.686 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000790975599 1077268127 /nfs/dbraw/zinc/26/81/27/1077268127.db2.gz RGRWNZVOYMUDEF-QGZVFWFLSA-N 1 1 408.493 2.740 20 0 HFADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NCc2ccc(Br)o2)cc1 ZINC000790978290 1077269087 /nfs/dbraw/zinc/26/90/87/1077269087.db2.gz NRJGPUQXZMSMMB-UHFFFAOYSA-N 1 1 421.339 2.864 20 0 HFADMO O=C(NCc1ccccc1)C1CC[NH+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)CC1 ZINC000788769395 1077282479 /nfs/dbraw/zinc/28/24/79/1077282479.db2.gz NYVPBLQYYWHVCM-JOCHJYFZSA-N 1 1 419.525 2.590 20 0 HFADMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000788745984 1077288276 /nfs/dbraw/zinc/28/82/76/1077288276.db2.gz BOWPXJSMRXABCD-AZUAARDMSA-N 1 1 400.567 2.939 20 0 HFADMO CC(C)N1C(=O)C(=O)N(C[N@@H+](Cc2cccc(Br)c2)CC2CC2)C1=O ZINC000788780981 1077299898 /nfs/dbraw/zinc/29/98/98/1077299898.db2.gz TWHQMOAKGDSWTI-UHFFFAOYSA-N 1 1 408.296 2.818 20 0 HFADMO CC(C)N1C(=O)C(=O)N(C[N@H+](Cc2cccc(Br)c2)CC2CC2)C1=O ZINC000788780981 1077299905 /nfs/dbraw/zinc/29/99/05/1077299905.db2.gz TWHQMOAKGDSWTI-UHFFFAOYSA-N 1 1 408.296 2.818 20 0 HFADMO Cc1[nH+]ccn1CCCC(=O)N1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000791113231 1077301346 /nfs/dbraw/zinc/30/13/46/1077301346.db2.gz GPSHPLPXIBCYNZ-KRWDZBQOSA-N 1 1 410.396 2.570 20 0 HFADMO CN(C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788820390 1077308130 /nfs/dbraw/zinc/30/81/30/1077308130.db2.gz OAHVDYSOJHNKKP-BHDDXSALSA-N 1 1 406.530 2.874 20 0 HFADMO CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)c1cnn(C)c1 ZINC000791148097 1077308556 /nfs/dbraw/zinc/30/85/56/1077308556.db2.gz ZXUFUUHSTGQQLF-IAGOWNOFSA-N 1 1 407.559 2.565 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000789005316 1077379127 /nfs/dbraw/zinc/37/91/27/1077379127.db2.gz AIUSIJHVYPMELF-KRWDZBQOSA-N 1 1 412.575 2.528 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000789005316 1077379136 /nfs/dbraw/zinc/37/91/36/1077379136.db2.gz AIUSIJHVYPMELF-KRWDZBQOSA-N 1 1 412.575 2.528 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC000789007864 1077380360 /nfs/dbraw/zinc/38/03/60/1077380360.db2.gz QCMSVVOPCXWKOK-KSZLIROESA-N 1 1 412.575 2.527 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC000789007864 1077380366 /nfs/dbraw/zinc/38/03/66/1077380366.db2.gz QCMSVVOPCXWKOK-KSZLIROESA-N 1 1 412.575 2.527 20 0 HFADMO Cc1sc(=O)n(CC(=O)NCc2c[nH+]c3n2CCCC3)c1-c1ccc(F)cc1 ZINC000791390018 1077396781 /nfs/dbraw/zinc/39/67/81/1077396781.db2.gz OJSUCYNYBYXDEX-UHFFFAOYSA-N 1 1 400.479 2.874 20 0 HFADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(Br)c(C)c2F)CC1 ZINC000789076128 1077398053 /nfs/dbraw/zinc/39/80/53/1077398053.db2.gz AKDPDBSDVJYMCG-GFCCVEGCSA-N 1 1 401.276 2.606 20 0 HFADMO O=C(Nc1cccc(C(=O)OCc2ccccc2)c1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000746789205 1077439903 /nfs/dbraw/zinc/43/99/03/1077439903.db2.gz FONCPZCYSHGOOL-UHFFFAOYSA-N 1 1 421.497 2.536 20 0 HFADMO Cc1nn(C)c2nc(C)c(CCC(=O)OCCC[NH+]3CCN(C(C)C)CC3)c(C)c12 ZINC000791568498 1077464844 /nfs/dbraw/zinc/46/48/44/1077464844.db2.gz AYJIUWAWDWHJFL-UHFFFAOYSA-N 1 1 415.582 2.785 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000789246545 1077470965 /nfs/dbraw/zinc/47/09/65/1077470965.db2.gz UGIRJYPQYAYNQV-MSOLQXFVSA-N 1 1 418.538 2.847 20 0 HFADMO C[C@H](OC(=O)[C@H]1CC(=O)c2ccccc21)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000789306120 1077507820 /nfs/dbraw/zinc/50/78/20/1077507820.db2.gz CAMXWZFYSWJMLA-CDXJDZJCSA-N 1 1 406.482 2.679 20 0 HFADMO Cc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)[C@@H]3CC(=O)c4ccccc43)CC2)cc1 ZINC000789305284 1077507886 /nfs/dbraw/zinc/50/78/86/1077507886.db2.gz XBUHUYZWEYACGJ-JOCHJYFZSA-N 1 1 420.509 2.943 20 0 HFADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)COC(=O)[C@H]2CC(=O)c3ccccc32)CC1 ZINC000789307553 1077508063 /nfs/dbraw/zinc/50/80/63/1077508063.db2.gz WUKPBVSISPIOME-QFIPXVFZSA-N 1 1 420.509 2.943 20 0 HFADMO O=C(C[NH+]1CCC(COc2ccc(Cl)nc2)CC1)N1CC(=O)Nc2ccccc21 ZINC000789309809 1077509122 /nfs/dbraw/zinc/50/91/22/1077509122.db2.gz HIMDPVQJDPFKPI-UHFFFAOYSA-N 1 1 414.893 2.811 20 0 HFADMO CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+](C[C@@H](O)C3CCCCC3)C2)CC1 ZINC000789310845 1077509416 /nfs/dbraw/zinc/50/94/16/1077509416.db2.gz WDEPJZDUNSHTMB-WOJBJXKFSA-N 1 1 423.598 2.719 20 0 HFADMO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000791648103 1077510768 /nfs/dbraw/zinc/51/07/68/1077510768.db2.gz QOVYIGJBBPIBMU-NUJGCVRESA-N 1 1 409.324 2.512 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000789332994 1077524815 /nfs/dbraw/zinc/52/48/15/1077524815.db2.gz WLWDKQMNMDUDFL-UHFFFAOYSA-N 1 1 424.545 2.920 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000789332994 1077524817 /nfs/dbraw/zinc/52/48/17/1077524817.db2.gz WLWDKQMNMDUDFL-UHFFFAOYSA-N 1 1 424.545 2.920 20 0 HFADMO COc1cc2cc(C(=O)OCCC[NH+]3CCN(C(C)C)CC3)[nH]c2c(OC)c1OC ZINC000791700857 1077532688 /nfs/dbraw/zinc/53/26/88/1077532688.db2.gz AZRNPAHTEXCYIS-UHFFFAOYSA-N 1 1 419.522 2.767 20 0 HFADMO CC[C@H]1CCc2nc(NC(=O)C(=O)NCc3cccnc3-n3cc[nH+]c3C)sc2C1 ZINC000789387479 1077533099 /nfs/dbraw/zinc/53/30/99/1077533099.db2.gz HXKLWZHTFIXGSF-AWEZNQCLSA-N 1 1 424.530 2.802 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC(=O)NCCN1CCc2ccccc21 ZINC000789364119 1077538545 /nfs/dbraw/zinc/53/85/45/1077538545.db2.gz HMUCUPSJRXJOMJ-GOSISDBHSA-N 1 1 422.529 2.815 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC(=O)NCCN1CCc2ccccc21 ZINC000789364119 1077538550 /nfs/dbraw/zinc/53/85/50/1077538550.db2.gz HMUCUPSJRXJOMJ-GOSISDBHSA-N 1 1 422.529 2.815 20 0 HFADMO COC(=O)c1cc(NC(=O)C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)ccc1F 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1 422.332 2.926 20 0 HFADMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)OC[C@@H]1CCCS(=O)(=O)C1 ZINC000791877056 1077595486 /nfs/dbraw/zinc/59/54/86/1077595486.db2.gz XOMNDNQSIUWDKP-MSOLQXFVSA-N 1 1 409.548 2.921 20 0 HFADMO O=C(CCS(=O)(=O)c1ccc(F)cc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791940439 1077600473 /nfs/dbraw/zinc/60/04/73/1077600473.db2.gz SSJHSSOITRFKKW-KDURUIRLSA-N 1 1 416.518 2.580 20 0 HFADMO C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1nnnn1C1CC1 ZINC000791922694 1077612526 /nfs/dbraw/zinc/61/25/26/1077612526.db2.gz USMUKQFXFQWBCG-FZKQIMNGSA-N 1 1 408.428 2.640 20 0 HFADMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000791982244 1077621953 /nfs/dbraw/zinc/62/19/53/1077621953.db2.gz VBBBOAVMZNKQAX-YREZUPBBSA-N 1 1 424.545 2.630 20 0 HFADMO COC(=O)Nc1cccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792063682 1077670534 /nfs/dbraw/zinc/67/05/34/1077670534.db2.gz PGYVNIGXYKEWAT-UHFFFAOYSA-N 1 1 406.483 2.746 20 0 HFADMO 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CC(C)(C)OC(=O)NC(C)(C)c1noc([C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000789767004 1077769012 /nfs/dbraw/zinc/76/90/12/1077769012.db2.gz DXTAEOFZLVHVJH-OAQYLSRUSA-N 1 1 402.495 2.923 20 0 HFADMO C[NH+](C)Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 ZINC000789736982 1077772163 /nfs/dbraw/zinc/77/21/63/1077772163.db2.gz JPECXTDXYFAION-UHFFFAOYSA-N 1 1 422.450 2.843 20 0 HFADMO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1nc(Br)ccc1F ZINC000792285681 1077775583 /nfs/dbraw/zinc/77/55/83/1077775583.db2.gz OECXVFGNIROMHK-GOEBONIOSA-N 1 1 422.298 2.596 20 0 HFADMO CCC[C@@H]1CN(C[C@H]2CC3(CCC3)C(=O)O2)CC[N@H+]1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792255298 1077781916 /nfs/dbraw/zinc/78/19/16/1077781916.db2.gz POVQECCHIRYQRF-QRVBRYPASA-N 1 1 404.551 2.744 20 0 HFADMO CCC[C@@H]1C[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)CCN1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792255298 1077781920 /nfs/dbraw/zinc/78/19/20/1077781920.db2.gz POVQECCHIRYQRF-QRVBRYPASA-N 1 1 404.551 2.744 20 0 HFADMO CCC[C@@H]1C[N@@H+](C[C@H]2CC3(CCC3)C(=O)O2)CCN1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792255298 1077781925 /nfs/dbraw/zinc/78/19/25/1077781925.db2.gz POVQECCHIRYQRF-QRVBRYPASA-N 1 1 404.551 2.744 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCC[C@@H](C[C@H]3CCOC3)C2)CC1 ZINC000792300576 1077796020 /nfs/dbraw/zinc/79/60/20/1077796020.db2.gz RQVFIIPEHUOPRA-RBUKOAKNSA-N 1 1 409.571 2.594 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N(Cc2ccccc2)CC(C)(C)O)CC1 ZINC000792302911 1077796405 /nfs/dbraw/zinc/79/64/05/1077796405.db2.gz AZAVCISLXOQIGB-UHFFFAOYSA-N 1 1 419.566 2.729 20 0 HFADMO COCC[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C)o1 ZINC000792303787 1077796797 /nfs/dbraw/zinc/79/67/97/1077796797.db2.gz OTJNCHPRPQQKCI-KRWDZBQOSA-N 1 1 409.527 2.725 20 0 HFADMO COC(=O)c1ccc(C(=O)OCC[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000789791542 1077797529 /nfs/dbraw/zinc/79/75/29/1077797529.db2.gz DVNWTBDZHJBROT-UHFFFAOYSA-N 1 1 406.479 2.573 20 0 HFADMO 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1077804125 /nfs/dbraw/zinc/80/41/25/1077804125.db2.gz ULNQWVPGEYHXBR-UHFFFAOYSA-N 1 1 415.456 2.705 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCO[C@@H](C3CCCCC3)C2)CC1 ZINC000792324887 1077807054 /nfs/dbraw/zinc/80/70/54/1077807054.db2.gz YFTUGNCKURPTPQ-LJQANCHMSA-N 1 1 409.571 2.737 20 0 HFADMO O=C(NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)N1CC(=O)N(CC2CC2)C1 ZINC000789841650 1077817538 /nfs/dbraw/zinc/81/75/38/1077817538.db2.gz LXIKCSBZBKAZPT-UHFFFAOYSA-N 1 1 423.517 2.527 20 0 HFADMO O=C(C[NH+]1CCC(Oc2ccc(F)nc2)CC1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000792390682 1077831837 /nfs/dbraw/zinc/83/18/37/1077831837.db2.gz ULPDZJYYHNEORG-HXUWFJFHSA-N 1 1 417.456 2.803 20 0 HFADMO CN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789883560 1077834678 /nfs/dbraw/zinc/83/46/78/1077834678.db2.gz AFXJKRIWKZIRHT-FGZHOGPDSA-N 1 1 406.530 2.553 20 0 HFADMO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000772795245 1077836067 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CCc1c(C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)cnn1-c1ccccc1Cl ZINC000792545122 1077898530 /nfs/dbraw/zinc/89/85/30/1077898530.db2.gz DHOTXHDDCIFORD-HNNXBMFYSA-N 1 1 418.925 2.798 20 0 HFADMO CCc1c(C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)cnn1-c1ccccc1Cl ZINC000792545122 1077898543 /nfs/dbraw/zinc/89/85/43/1077898543.db2.gz DHOTXHDDCIFORD-HNNXBMFYSA-N 1 1 418.925 2.798 20 0 HFADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000790031974 1077904721 /nfs/dbraw/zinc/90/47/21/1077904721.db2.gz FSHIGRVMFSYYAQ-NRFANRHFSA-N 1 1 414.594 2.716 20 0 HFADMO CCOC(=O)c1c(Cl)ccnc1N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001170171137 1077904977 /nfs/dbraw/zinc/90/49/77/1077904977.db2.gz VJWQYGVTRHWJMT-UHFFFAOYSA-N 1 1 403.870 2.780 20 0 HFADMO CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC001170218013 1077909772 /nfs/dbraw/zinc/90/97/72/1077909772.db2.gz SIFONADMUYAXGT-FYYLOGMGSA-N 1 1 415.578 2.936 20 0 HFADMO CCOc1ccc([C@H]2CCCN2C(=O)CN2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC001170218013 1077909774 /nfs/dbraw/zinc/90/97/74/1077909774.db2.gz SIFONADMUYAXGT-FYYLOGMGSA-N 1 1 415.578 2.936 20 0 HFADMO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC001170218802 1077910270 /nfs/dbraw/zinc/91/02/70/1077910270.db2.gz VKLLCOSDTGJXME-TZIWHRDSSA-N 1 1 403.567 2.839 20 0 HFADMO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC001170218802 1077910272 /nfs/dbraw/zinc/91/02/72/1077910272.db2.gz VKLLCOSDTGJXME-TZIWHRDSSA-N 1 1 403.567 2.839 20 0 HFADMO COc1ccc(CCS(=O)(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000790012307 1077912404 /nfs/dbraw/zinc/91/24/04/1077912404.db2.gz UJNPLJFHCYAZNP-SFHVURJKSA-N 1 1 418.559 2.578 20 0 HFADMO COc1ccc(CCS(=O)(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000790012307 1077912406 /nfs/dbraw/zinc/91/24/06/1077912406.db2.gz UJNPLJFHCYAZNP-SFHVURJKSA-N 1 1 418.559 2.578 20 0 HFADMO CC(C)(C)OC(=O)NCC[N@H+](CCc1ccccc1)CC(=O)NCC(F)(F)F ZINC001170245094 1077916042 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/nfs/dbraw/zinc/92/64/90/1077926490.db2.gz SZZKIQYKFDEGCE-ZHFAOOELSA-N 1 1 414.937 2.970 20 0 HFADMO C[C@H](C(=O)N(CCCNC(=O)OC(C)(C)C)Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000792601700 1077930813 /nfs/dbraw/zinc/93/08/13/1077930813.db2.gz OBYLCHSYQYFIOU-LJQANCHMSA-N 1 1 418.582 2.566 20 0 HFADMO O=C(CC[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1)N[C@H]1CCCc2ccccc21 ZINC001170280113 1077935771 /nfs/dbraw/zinc/93/57/71/1077935771.db2.gz AICAIZMGBUQDJA-AOIWGVFYSA-N 1 1 423.479 2.913 20 0 HFADMO Cc1cccc(S(=O)(=O)CCC[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 ZINC001170280137 1077936163 /nfs/dbraw/zinc/93/61/63/1077936163.db2.gz AZQGZHKIASCWNT-JKSUJKDBSA-N 1 1 418.481 2.501 20 0 HFADMO Cc1cccc(S(=O)(=O)CCC[N@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 ZINC001170280137 1077936165 /nfs/dbraw/zinc/93/61/65/1077936165.db2.gz AZQGZHKIASCWNT-JKSUJKDBSA-N 1 1 418.481 2.501 20 0 HFADMO C[C@@H](Cc1ccccc1Cl)[N@@H+]1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001170283399 1077937331 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409.446 2.645 20 0 HFADMO COc1ccc(Cl)cc1NC(=S)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000792680512 1077965066 /nfs/dbraw/zinc/96/50/66/1077965066.db2.gz HJKOYRNXDXOWFA-UHFFFAOYSA-N 1 1 424.998 2.922 20 0 HFADMO CCn1ccc(CN(C)C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000790212337 1077971625 /nfs/dbraw/zinc/97/16/25/1077971625.db2.gz VHCZFOAAIWMFLU-UHFFFAOYSA-N 1 1 407.559 2.592 20 0 HFADMO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cn1 ZINC000790212547 1077971671 /nfs/dbraw/zinc/97/16/71/1077971671.db2.gz YMXSQMTWFJXVAZ-FDFHNCONSA-N 1 1 411.550 2.775 20 0 HFADMO C[C@H]1CSCC[N@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000792719763 1077974020 /nfs/dbraw/zinc/97/40/20/1077974020.db2.gz JJQOEJYBURPMMW-SJKOYZFVSA-N 1 1 412.353 2.859 20 0 HFADMO C[C@H]1CSCC[N@@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000792719763 1077974022 /nfs/dbraw/zinc/97/40/22/1077974022.db2.gz JJQOEJYBURPMMW-SJKOYZFVSA-N 1 1 412.353 2.859 20 0 HFADMO C[C@@H]1CSCC[N@H+](CN2C(=O)N[C@](C)(c3ccc(OC(F)(F)F)cc3)C2=O)C1 ZINC000792725966 1077978775 /nfs/dbraw/zinc/97/87/75/1077978775.db2.gz MYHPDBORFYKIQM-YVEFUNNKSA-N 1 1 417.453 2.995 20 0 HFADMO C[C@@H]1CSCC[N@@H+](CN2C(=O)N[C@](C)(c3ccc(OC(F)(F)F)cc3)C2=O)C1 ZINC000792725966 1077978776 /nfs/dbraw/zinc/97/87/76/1077978776.db2.gz MYHPDBORFYKIQM-YVEFUNNKSA-N 1 1 417.453 2.995 20 0 HFADMO CN(C)S(=O)(=O)c1cccc(NC(=S)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000772819891 1077988281 /nfs/dbraw/zinc/98/82/81/1077988281.db2.gz SQMVMUTYRIYQRG-KXBFYZLASA-N 1 1 422.620 2.582 20 0 HFADMO CC(C)n1nccc1C[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792793418 1077993167 /nfs/dbraw/zinc/99/31/67/1077993167.db2.gz UTIAGSVXAKINQN-SFHVURJKSA-N 1 1 419.570 2.755 20 0 HFADMO C[N@@H+]([C@@H]1CCN(C2CCOCC2)C1=O)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000790320475 1077996571 /nfs/dbraw/zinc/99/65/71/1077996571.db2.gz RSPDXKJGWFGNCD-ZZJWQFMZSA-N 1 1 407.555 2.629 20 0 HFADMO C[C@H]1C[N@@H+](CCOc2ccc(CCNS(=O)(=O)C[C@@H]3CCCOC3)cc2)C[C@H]1C ZINC000792770789 1077997853 /nfs/dbraw/zinc/99/78/53/1077997853.db2.gz UCESCJYJCZEBKT-SVFBPWRDSA-N 1 1 424.607 2.542 20 0 HFADMO C[C@@]1(NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000792858905 1078010263 /nfs/dbraw/zinc/01/02/63/1078010263.db2.gz MWFXEXUVVQPOKU-XMSQKQJNSA-N 1 1 400.523 2.571 20 0 HFADMO CO[C@@]1(C)CCCN(C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792870149 1078012002 /nfs/dbraw/zinc/01/20/02/1078012002.db2.gz FNFAYUOVTBIGLQ-NRFANRHFSA-N 1 1 412.575 2.530 20 0 HFADMO CC(C)(C)OC(=O)N(CC1CC1)C1CC[NH+](C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000792871817 1078012164 /nfs/dbraw/zinc/01/21/64/1078012164.db2.gz MPBQEOIGPJJOJR-KRWDZBQOSA-N 1 1 400.585 2.923 20 0 HFADMO C[C@@H](NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)c1nnnn1C1CC1 ZINC000790393020 1078013598 /nfs/dbraw/zinc/01/35/98/1078013598.db2.gz AZCLJXZTSICXFH-OAHLLOKOSA-N 1 1 409.494 2.793 20 0 HFADMO C[C@@H](NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)c1nnnn1C1CC1 ZINC000790393020 1078013605 /nfs/dbraw/zinc/01/36/05/1078013605.db2.gz AZCLJXZTSICXFH-OAHLLOKOSA-N 1 1 409.494 2.793 20 0 HFADMO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cn1 ZINC000790372786 1078017220 /nfs/dbraw/zinc/01/72/20/1078017220.db2.gz BXWIMVIDBSZZIF-FGZHOGPDSA-N 1 1 411.550 2.633 20 0 HFADMO C[C@@H]1OCC[C@@]12C[N@@H+](Cn1ccc(=O)c3cccc(Br)c31)C[C@@H](C)O2 ZINC000790407394 1078019783 /nfs/dbraw/zinc/01/97/83/1078019783.db2.gz RPMLETFEOMUGCB-BIENJYKASA-N 1 1 407.308 2.990 20 0 HFADMO O[C@H](C[C@@H]1COCCN1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccco1 ZINC000792873464 1078021868 /nfs/dbraw/zinc/02/18/68/1078021868.db2.gz SYNLGAVHWFVIEJ-YPAWHYETSA-N 1 1 400.519 2.695 20 0 HFADMO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cn1 ZINC000790424179 1078022793 /nfs/dbraw/zinc/02/27/93/1078022793.db2.gz KJHAWWPAXSLOKO-VOQZNFBZSA-N 1 1 411.550 2.631 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000792914805 1078024913 /nfs/dbraw/zinc/02/49/13/1078024913.db2.gz SWKWBBYDOHSWOS-WOSRLPQWSA-N 1 1 421.847 2.555 20 0 HFADMO C[N@H+](CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)C(C)(C)c1ccccc1 ZINC000792924900 1078027417 /nfs/dbraw/zinc/02/74/17/1078027417.db2.gz JIXAZWSHLCMCMC-DEOSSOPVSA-N 1 1 422.529 2.828 20 0 HFADMO C[N@@H+](CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)C(C)(C)c1ccccc1 ZINC000792924900 1078027422 /nfs/dbraw/zinc/02/74/22/1078027422.db2.gz JIXAZWSHLCMCMC-DEOSSOPVSA-N 1 1 422.529 2.828 20 0 HFADMO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCC4(CCOCC4)CC3)cc2)CC1 ZINC000792933907 1078028713 /nfs/dbraw/zinc/02/87/13/1078028713.db2.gz OUOLWAXZCNPTMA-UHFFFAOYSA-N 1 1 400.567 2.660 20 0 HFADMO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)C(=O)Nc1cccc(Br)n1 ZINC000792980235 1078031929 /nfs/dbraw/zinc/03/19/29/1078031929.db2.gz MJSNGOMCQIBWQP-HNNXBMFYSA-N 1 1 423.355 2.944 20 0 HFADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@]1(C)CCN(C(=O)OCc2ccccc2)C1 ZINC000792953978 1078034463 /nfs/dbraw/zinc/03/44/63/1078034463.db2.gz ACRRVPNWOSEQBB-HTAPYJJXSA-N 1 1 413.522 2.928 20 0 HFADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792969870 1078039276 /nfs/dbraw/zinc/03/92/76/1078039276.db2.gz RZFSLBFYQKHWBT-HIFRSBDPSA-N 1 1 417.307 2.734 20 0 HFADMO C[C@H](NC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1nnnn1C1CC1 ZINC000790479668 1078040987 /nfs/dbraw/zinc/04/09/87/1078040987.db2.gz QGPYMFRDULLONS-JQERWDHBSA-N 1 1 409.538 2.669 20 0 HFADMO COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000790480533 1078041200 /nfs/dbraw/zinc/04/12/00/1078041200.db2.gz IKTJMTSVBYMNIK-CYBMUJFWSA-N 1 1 404.319 2.978 20 0 HFADMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)Nc1cccc(Br)n1 ZINC000792987777 1078041319 /nfs/dbraw/zinc/04/13/19/1078041319.db2.gz XKVXVSGXPLMJPC-OAHLLOKOSA-N 1 1 417.307 2.563 20 0 HFADMO CCNC(=O)OC[C@@H]1CCCCN1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000806224273 1079508122 /nfs/dbraw/zinc/50/81/22/1079508122.db2.gz CCJMQXPZUJATNV-FQEVSTJZSA-N 1 1 418.538 2.694 20 0 HFADMO Cc1cc(NC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)ccc1N1C(=O)CCC1=O ZINC000806268304 1079531991 /nfs/dbraw/zinc/53/19/91/1079531991.db2.gz BHAKNFNGWDVUNI-UHFFFAOYSA-N 1 1 406.486 2.997 20 0 HFADMO CSCC[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000806310485 1079565294 /nfs/dbraw/zinc/56/52/94/1079565294.db2.gz BREOWLMIDHQDOI-XJKSGUPXSA-N 1 1 417.497 2.654 20 0 HFADMO CSCC[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000806310485 1079565303 /nfs/dbraw/zinc/56/53/03/1079565303.db2.gz BREOWLMIDHQDOI-XJKSGUPXSA-N 1 1 417.497 2.654 20 0 HFADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000806355259 1079588053 /nfs/dbraw/zinc/58/80/53/1079588053.db2.gz PYGZSDLHFKQJAR-JKIFEVAISA-N 1 1 417.472 2.926 20 0 HFADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000806355259 1079588058 /nfs/dbraw/zinc/58/80/58/1079588058.db2.gz PYGZSDLHFKQJAR-JKIFEVAISA-N 1 1 417.472 2.926 20 0 HFADMO O=C(CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)NCc1ccccc1 ZINC000747324983 1079591984 /nfs/dbraw/zinc/59/19/84/1079591984.db2.gz VCPWRTQJCLQVIL-OAQYLSRUSA-N 1 1 419.447 2.874 20 0 HFADMO Cc1ccc2nc(COc3cccc(C(=O)NC[C@@H]4C[N@H+]5CCC[C@H]5CO4)c3)cn2c1 ZINC000747326643 1079631318 /nfs/dbraw/zinc/63/13/18/1079631318.db2.gz TYQHMUDCIIJBAG-RBBKRZOGSA-N 1 1 420.513 2.815 20 0 HFADMO C[C@H](C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001130613975 1079641653 /nfs/dbraw/zinc/64/16/53/1079641653.db2.gz NZMUACPKKBASQB-HTAPYJJXSA-N 1 1 400.544 2.974 20 0 HFADMO CCC(CC)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC000806371388 1079659889 /nfs/dbraw/zinc/65/98/89/1079659889.db2.gz IRBOBNVJURVZGW-MOPGFXCFSA-N 1 1 411.587 2.887 20 0 HFADMO C[N@@H+]1CCN(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1Cc1ccccc1 ZINC000806412128 1079699358 /nfs/dbraw/zinc/69/93/58/1079699358.db2.gz LMFPMORJUUBZRT-HXUWFJFHSA-N 1 1 416.566 2.954 20 0 HFADMO C[N@H+]1CCN(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1Cc1ccccc1 ZINC000806412128 1079699363 /nfs/dbraw/zinc/69/93/63/1079699363.db2.gz LMFPMORJUUBZRT-HXUWFJFHSA-N 1 1 416.566 2.954 20 0 HFADMO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCS(=O)(=O)Cc1ccccc1)[NH+](C)C ZINC000806538651 1079777395 /nfs/dbraw/zinc/77/73/95/1079777395.db2.gz OXSXVZLZOHTVPI-GHTZIAJQSA-N 1 1 417.575 2.900 20 0 HFADMO C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc[nH]1 ZINC000806528053 1079801610 /nfs/dbraw/zinc/80/16/10/1079801610.db2.gz VDWKKRIDECVFLK-WRSAYESZSA-N 1 1 406.889 2.794 20 0 HFADMO C[C@H](NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc[nH]1 ZINC000806531843 1079804580 /nfs/dbraw/zinc/80/45/80/1079804580.db2.gz WBNZJJKVCUZOQG-HNNXBMFYSA-N 1 1 422.451 2.945 20 0 HFADMO C[C@H](NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc[nH]1 ZINC000806531843 1079804585 /nfs/dbraw/zinc/80/45/85/1079804585.db2.gz WBNZJJKVCUZOQG-HNNXBMFYSA-N 1 1 422.451 2.945 20 0 HFADMO C[C@H]1[C@@H](NC(=O)NCCS(=O)(=O)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000806538260 1079809904 /nfs/dbraw/zinc/80/99/04/1079809904.db2.gz BEAQPZLWFSTYBL-RXVVDRJESA-N 1 1 415.559 2.564 20 0 HFADMO C[C@H]1[C@@H](NC(=O)NCCS(=O)(=O)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000806538260 1079809916 /nfs/dbraw/zinc/80/99/16/1079809916.db2.gz BEAQPZLWFSTYBL-RXVVDRJESA-N 1 1 415.559 2.564 20 0 HFADMO C[C@@]1(CNC(=O)C(=O)NCCc2cccc3[nH]ccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000806580575 1079812688 /nfs/dbraw/zinc/81/26/88/1079812688.db2.gz JMPIOXDEMUVMBR-VWLOTQADSA-N 1 1 418.541 2.855 20 0 HFADMO COC(=O)[C@@H]1CO[C@H](CCC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)C1 ZINC001130673271 1079823919 /nfs/dbraw/zinc/82/39/19/1079823919.db2.gz SORSZRWNRJGDLW-GCGJSEPQSA-N 1 1 402.535 2.855 20 0 HFADMO O=C(NCCO[C@H]1CC1(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001130690435 1079852204 /nfs/dbraw/zinc/85/22/04/1079852204.db2.gz PXFXFZYSAMDWIK-ZACQAIPSSA-N 1 1 407.486 2.899 20 0 HFADMO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747341694 1079876268 /nfs/dbraw/zinc/87/62/68/1079876268.db2.gz HKBLIESKTQHYHR-MSOLQXFVSA-N 1 1 402.926 2.795 20 0 HFADMO C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)C1 ZINC000806679591 1079908933 /nfs/dbraw/zinc/90/89/33/1079908933.db2.gz DIAINYLXLAJBCX-HOCLYGCPSA-N 1 1 419.740 2.945 20 0 HFADMO C[C@@H](C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806722468 1079946109 /nfs/dbraw/zinc/94/61/09/1079946109.db2.gz YUABEWXTSXALTG-CEXWTWQISA-N 1 1 422.614 2.506 20 0 HFADMO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)cc2Cl)CC1 ZINC000806722104 1079946139 /nfs/dbraw/zinc/94/61/39/1079946139.db2.gz RMWGSOLRMQXUAA-HNNXBMFYSA-N 1 1 418.847 2.584 20 0 HFADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000806730377 1079955190 /nfs/dbraw/zinc/95/51/90/1079955190.db2.gz OTEAJZXNCGQJGB-OAQYLSRUSA-N 1 1 423.557 2.511 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000806754874 1079973884 /nfs/dbraw/zinc/97/38/84/1079973884.db2.gz DNIPIMMJWPLGSY-UHFFFAOYSA-N 1 1 412.837 2.882 20 0 HFADMO CNC(=O)OC[C@@H]1CCCCN1C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000806769262 1079988592 /nfs/dbraw/zinc/98/85/92/1079988592.db2.gz HCSRTTQORUJADK-SFHVURJKSA-N 1 1 424.586 2.720 20 0 HFADMO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCC[N@H+](C)CC(C)C ZINC001130731035 1080002947 /nfs/dbraw/zinc/00/29/47/1080002947.db2.gz XLFKVWKNBQAOBX-UHFFFAOYSA-N 1 1 409.596 2.877 20 0 HFADMO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000806788159 1080010146 /nfs/dbraw/zinc/01/01/46/1080010146.db2.gz DHXJANQMNKIAMZ-FCHUYYIVSA-N 1 1 415.578 2.790 20 0 HFADMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000806789106 1080010492 /nfs/dbraw/zinc/01/04/92/1080010492.db2.gz MMSQUPIKXMHGIX-HSALFYBXSA-N 1 1 417.550 2.607 20 0 HFADMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000806789108 1080010529 /nfs/dbraw/zinc/01/05/29/1080010529.db2.gz MMSQUPIKXMHGIX-SLFFLAALSA-N 1 1 417.550 2.607 20 0 HFADMO CC(C)OC(=O)N1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000806796317 1080015516 /nfs/dbraw/zinc/01/55/16/1080015516.db2.gz ZCILDDYLXSCWPQ-FXAWDEMLSA-N 1 1 402.539 2.958 20 0 HFADMO C[N@@H+]1CCN(C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)[C@@H](Cc2ccccc2)C1 ZINC001130751064 1080020489 /nfs/dbraw/zinc/02/04/89/1080020489.db2.gz CJJBOSMMJAFCNW-FQEVSTJZSA-N 1 1 408.477 2.694 20 0 HFADMO C[N@H+]1CCN(C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)[C@@H](Cc2ccccc2)C1 ZINC001130751064 1080020497 /nfs/dbraw/zinc/02/04/97/1080020497.db2.gz CJJBOSMMJAFCNW-FQEVSTJZSA-N 1 1 408.477 2.694 20 0 HFADMO COc1ccc(C)cc1N1C[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)CC1=O ZINC001130751891 1080022042 /nfs/dbraw/zinc/02/20/42/1080022042.db2.gz NWSHYGUAFLZPJL-LEWJYISDSA-N 1 1 421.541 2.742 20 0 HFADMO COc1ccc(C)cc1N1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)CC1=O ZINC001130751891 1080022052 /nfs/dbraw/zinc/02/20/52/1080022052.db2.gz NWSHYGUAFLZPJL-LEWJYISDSA-N 1 1 421.541 2.742 20 0 HFADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000806834682 1080047100 /nfs/dbraw/zinc/04/71/00/1080047100.db2.gz FQADHEJMZUPWAQ-RTBURBONSA-N 1 1 418.582 2.641 20 0 HFADMO C[C@@H](CNC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1)C[NH+]1CCOCC1 ZINC000806839824 1080051574 /nfs/dbraw/zinc/05/15/74/1080051574.db2.gz LBVKPDCDKNYELG-NZQKXSOJSA-N 1 1 411.546 2.900 20 0 HFADMO CC(C)(O)c1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000806869570 1080070074 /nfs/dbraw/zinc/07/00/74/1080070074.db2.gz XKWWCQFAUWFSTK-LJQANCHMSA-N 1 1 409.530 2.881 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806913676 1080117821 /nfs/dbraw/zinc/11/78/21/1080117821.db2.gz CITDXIKXKFBPNV-GOSISDBHSA-N 1 1 409.530 2.976 20 0 HFADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000807003157 1080181733 /nfs/dbraw/zinc/18/17/33/1080181733.db2.gz WKYLXJGAIZEPKU-OAQYLSRUSA-N 1 1 424.545 2.761 20 0 HFADMO C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000807081336 1080229971 /nfs/dbraw/zinc/22/99/71/1080229971.db2.gz UQXOYWNTLMCZMU-HKUYNNGSSA-N 1 1 404.555 2.858 20 0 HFADMO C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000807081336 1080229988 /nfs/dbraw/zinc/22/99/88/1080229988.db2.gz UQXOYWNTLMCZMU-HKUYNNGSSA-N 1 1 404.555 2.858 20 0 HFADMO CSCC[C@H](C)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000807054191 1080238163 /nfs/dbraw/zinc/23/81/63/1080238163.db2.gz GCDRFDYZUFNWQG-YSIASYRMSA-N 1 1 403.592 2.757 20 0 HFADMO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000807084141 1080262235 /nfs/dbraw/zinc/26/22/35/1080262235.db2.gz MQUHNHFUOXLTCJ-SXLOBPIMSA-N 1 1 402.539 2.817 20 0 HFADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000807091954 1080270760 /nfs/dbraw/zinc/27/07/60/1080270760.db2.gz QDVYPZZERGNJLV-SFTDATJTSA-N 1 1 401.551 2.603 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000807113974 1080290418 /nfs/dbraw/zinc/29/04/18/1080290418.db2.gz JIWQMWYKYJCLSA-VQIMIIECSA-N 1 1 414.937 2.686 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N(C)CCc1ccccc1F ZINC000807114675 1080291634 /nfs/dbraw/zinc/29/16/34/1080291634.db2.gz YUSKBROQSIPJAQ-GCJKJVERSA-N 1 1 411.521 2.853 20 0 HFADMO C[C@H]1C[C@@H](CCNC(=O)c2ccc(C(N)=O)c(Cl)n2)C[N@H+]1Cc1ccccc1 ZINC000807149640 1080306871 /nfs/dbraw/zinc/30/68/71/1080306871.db2.gz CKWUYDKRXLUGIZ-GOEBONIOSA-N 1 1 400.910 2.864 20 0 HFADMO CCOc1ccc([C@H](O)C2CC[NH+](CC(=O)N3C[C@@H](C)OC(C)(C)C3)CC2)cc1 ZINC001170518730 1080309826 /nfs/dbraw/zinc/30/98/26/1080309826.db2.gz JIGPEKFNYXRTHD-VGSWGCGISA-N 1 1 404.551 2.857 20 0 HFADMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H]1CCCC12OCCO2 ZINC000807131538 1080331741 /nfs/dbraw/zinc/33/17/41/1080331741.db2.gz VEQVUOOZKBWXKF-WMQCIHAUSA-N 1 1 401.551 2.992 20 0 HFADMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H]1CCCC12OCCO2 ZINC000807131538 1080331753 /nfs/dbraw/zinc/33/17/53/1080331753.db2.gz VEQVUOOZKBWXKF-WMQCIHAUSA-N 1 1 401.551 2.992 20 0 HFADMO CCCCC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC001130873582 1080351057 /nfs/dbraw/zinc/35/10/57/1080351057.db2.gz UBCDNXGLCJFWCU-MIKCSNIASA-N 1 1 402.539 2.525 20 0 HFADMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000807180414 1080374117 /nfs/dbraw/zinc/37/41/17/1080374117.db2.gz JXVFTTDGRLLOEL-CQSZACIVSA-N 1 1 422.469 2.740 20 0 HFADMO Cc1ccccc1[C@H](O)C1CCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000807182008 1080374806 /nfs/dbraw/zinc/37/48/06/1080374806.db2.gz WBVGVYCQUDRFGY-SIKLNZKXSA-N 1 1 403.567 2.951 20 0 HFADMO Cc1ccc(C(=O)CCC(=O)OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000807294620 1080486220 /nfs/dbraw/zinc/48/62/20/1080486220.db2.gz IOCIOXCAIRAPSI-UHFFFAOYSA-N 1 1 408.498 2.846 20 0 HFADMO CCc1ccc([C@H](O)CNC(=O)C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)cc1 ZINC000807294751 1080486251 /nfs/dbraw/zinc/48/62/51/1080486251.db2.gz LBLOXMRZZVIYML-LJQANCHMSA-N 1 1 403.910 2.752 20 0 HFADMO C[C@]1(CNC(=O)C(=O)NCCCc2ccccc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000807314272 1080507067 /nfs/dbraw/zinc/50/70/67/1080507067.db2.gz ADZBREJMSXKDJI-XMMPIXPASA-N 1 1 411.521 2.903 20 0 HFADMO CCOC(=O)C1=C(Nc2cc(C(=O)N(C)C)ccn2)CC[N@@H+](Cc2ccccc2)C1 ZINC001170521722 1080507097 /nfs/dbraw/zinc/50/70/97/1080507097.db2.gz MJYVFCUPWMEPGL-UHFFFAOYSA-N 1 1 408.502 2.918 20 0 HFADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)[C@H](C)C1 ZINC000807318215 1080511175 /nfs/dbraw/zinc/51/11/75/1080511175.db2.gz HNEBFBKGEDASSY-HZPDHXFCSA-N 1 1 418.538 2.763 20 0 HFADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)[C@H](C)C1 ZINC000807318215 1080511178 /nfs/dbraw/zinc/51/11/78/1080511178.db2.gz HNEBFBKGEDASSY-HZPDHXFCSA-N 1 1 418.538 2.763 20 0 HFADMO C[NH+]1CCN([C@@H](C(=O)NC[C@H](OC2CCCC2)C(F)(F)F)c2ccccc2)CC1 ZINC001130916420 1080539912 /nfs/dbraw/zinc/53/99/12/1080539912.db2.gz HSGGYITVNQRPBM-RBUKOAKNSA-N 1 1 413.484 2.981 20 0 HFADMO Cc1ccc([C@@H](O)[C@@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)cc1 ZINC000807342419 1080547674 /nfs/dbraw/zinc/54/76/74/1080547674.db2.gz XDQAJSFCHISSLO-KUHUBIRLSA-N 1 1 403.910 2.887 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000807394610 1080561484 /nfs/dbraw/zinc/56/14/84/1080561484.db2.gz UXORLKMUTVHTTR-AWEZNQCLSA-N 1 1 419.323 2.926 20 0 HFADMO CC(C)CCn1nccc1NC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000807468493 1080646682 /nfs/dbraw/zinc/64/66/82/1080646682.db2.gz VPPLFWSMOLLJGN-UHFFFAOYSA-N 1 1 412.538 2.648 20 0 HFADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(=O)NCC[C@@](C)(O)c2ccccc2)cc1 ZINC000807502094 1080700161 /nfs/dbraw/zinc/70/01/61/1080700161.db2.gz YUHZJRVATBXFPS-MZNJEOGPSA-N 1 1 420.513 2.772 20 0 HFADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(=O)NCC[C@](C)(O)c2ccccc2)cc1 ZINC000807502096 1080700911 /nfs/dbraw/zinc/70/09/11/1080700911.db2.gz YUHZJRVATBXFPS-XDHUDOTRSA-N 1 1 420.513 2.772 20 0 HFADMO C[NH+](C)Cc1ccc(NC(=O)C(=O)Nc2ccnn2CC2CC2)cc1Br ZINC000807475997 1080727912 /nfs/dbraw/zinc/72/79/12/1080727912.db2.gz VDZLAMIHYBSQEM-UHFFFAOYSA-N 1 1 420.311 2.694 20 0 HFADMO CCCOC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000807543973 1080759713 /nfs/dbraw/zinc/75/97/13/1080759713.db2.gz PEMTXFOYQOQRSZ-LAUBAEHRSA-N 1 1 423.513 2.971 20 0 HFADMO C[C@@H]1[C@H](NC(=O)C(=O)Nc2c(F)cccc2-n2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000807543668 1080760433 /nfs/dbraw/zinc/76/04/33/1080760433.db2.gz KBESXDLCMQSSRL-VQIMIIECSA-N 1 1 421.476 2.729 20 0 HFADMO C[C@@H]1[C@@H](NC(=O)C(=O)Nc2c(F)cccc2-n2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000807543661 1080760595 /nfs/dbraw/zinc/76/05/95/1080760595.db2.gz KBESXDLCMQSSRL-APWZRJJASA-N 1 1 421.476 2.729 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@]1(COC)CCCN1C(=O)OC(C)(C)C ZINC000807549656 1080765463 /nfs/dbraw/zinc/76/54/63/1080765463.db2.gz GMCIXFMIQQEPOD-LAUBAEHRSA-N 1 1 412.575 2.576 20 0 HFADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000747404059 1080770954 /nfs/dbraw/zinc/77/09/54/1080770954.db2.gz ZFVLHGRHHZWFMF-FQEVSTJZSA-N 1 1 402.539 2.771 20 0 HFADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC1CCN(C(=O)OC)CC1 ZINC000807526138 1080778159 /nfs/dbraw/zinc/77/81/59/1080778159.db2.gz SFPUDAGUBNRHIW-HXUWFJFHSA-N 1 1 417.554 2.556 20 0 HFADMO CCN(C(=O)NCC1CCN(C(=O)OC)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000807525778 1080779087 /nfs/dbraw/zinc/77/90/87/1080779087.db2.gz RMMIPHKRQDBVII-HXUWFJFHSA-N 1 1 402.539 2.771 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)c1 ZINC000807557684 1080810485 /nfs/dbraw/zinc/81/04/85/1080810485.db2.gz GPJGNUGEXMPQED-QGZVFWFLSA-N 1 1 414.937 2.783 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000807561239 1080816241 /nfs/dbraw/zinc/81/62/41/1080816241.db2.gz YWWKSYNOGKAJIQ-IRXDYDNUSA-N 1 1 414.937 2.781 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000807561239 1080816248 /nfs/dbraw/zinc/81/62/48/1080816248.db2.gz YWWKSYNOGKAJIQ-IRXDYDNUSA-N 1 1 414.937 2.781 20 0 HFADMO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1nnnn1-c1ccccc1Br ZINC001176589232 1126149850 /nfs/dbraw/zinc/14/98/50/1126149850.db2.gz VTLKBTXKARNQFC-GOSISDBHSA-N 1 1 420.286 2.647 20 0 HFADMO CS(=O)(=O)c1nc(Cl)cc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164626949 719052511 /nfs/dbraw/zinc/05/25/11/719052511.db2.gz SJYVWJFCLPDACA-HOTGVXAUSA-N 1 1 406.939 2.634 20 0 HFADMO CC[C@@H]1C(=O)N(C)c2cnc(N3C[C@H](C)[N@@H+](C)C[C@H]3C)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001164635595 719226156 /nfs/dbraw/zinc/22/61/56/719226156.db2.gz JFUYCKDUQIDRFK-ZJIFWQFVSA-N 1 1 422.524 2.755 20 0 HFADMO CC[C@@H]1C(=O)N(C)c2cnc(N3C[C@H](C)[N@@H+](C)C[C@@H]3C)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001164635586 719226196 /nfs/dbraw/zinc/22/61/96/719226196.db2.gz JFUYCKDUQIDRFK-CAOSSQGBSA-N 1 1 422.524 2.755 20 0 HFADMO O=C1CCCN1[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)C[C@H]2CCCO[C@H]21 ZINC001164649173 719303830 /nfs/dbraw/zinc/30/38/30/719303830.db2.gz HCLITESGOXKHIP-HGHGUNKESA-N 1 1 418.969 2.937 20 0 HFADMO C[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccccn4)c(-c4ccccn4)nc3Cl)C[C@H]21 ZINC001164665752 719484470 /nfs/dbraw/zinc/48/44/70/719484470.db2.gz BHADVBLSQYSDJZ-IAGOWNOFSA-N 1 1 408.893 2.773 20 0 HFADMO O=C([C@@H]1C[C@H]2OCC[C@H]2N(c2nc(Cl)ccc2C[NH+]2CCCC2)C1)N1CCCC1 ZINC001164678605 719539657 /nfs/dbraw/zinc/53/96/57/719539657.db2.gz MIYXQLPQIUKCKB-GUDVDZBRSA-N 1 1 418.969 2.937 20 0 HFADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)c2cccc(C)c21 ZINC001164701134 719852832 /nfs/dbraw/zinc/85/28/32/719852832.db2.gz JPGFQQNHZZMEAE-YCRPNKLZSA-N 1 1 418.925 2.824 20 0 HFADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(SC)nc2ccccc21 ZINC001164701859 719857291 /nfs/dbraw/zinc/85/72/91/719857291.db2.gz LGJDOERHQUSRAU-BTYIYWSLSA-N 1 1 416.547 2.584 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(OC)c(OC)cc31)C2 ZINC001164814790 720086510 /nfs/dbraw/zinc/08/65/10/720086510.db2.gz WPZYZQBNTLWIFO-SBUREZEXSA-N 1 1 412.534 2.832 20 0 HFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cncc(-n3ccnc3)n1)CC2 ZINC001164710849 720130889 /nfs/dbraw/zinc/13/08/89/720130889.db2.gz DULMNFQJQBQOBW-HXUWFJFHSA-N 1 1 419.533 2.565 20 0 HFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nnc(Cl)c3c1CCCC3)CCC2 ZINC001164813562 720219767 /nfs/dbraw/zinc/21/97/67/720219767.db2.gz PGWMQDLXWOOJJD-UHFFFAOYSA-N 1 1 416.957 2.816 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4ccc(F)cc43)C2)C1 ZINC001164720367 720229545 /nfs/dbraw/zinc/22/95/45/720229545.db2.gz ZLMKJWSZPPVDBI-OAQYLSRUSA-N 1 1 420.916 2.692 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4ccc(F)cc43)C2)C1 ZINC001164720367 720229551 /nfs/dbraw/zinc/22/95/51/720229551.db2.gz ZLMKJWSZPPVDBI-OAQYLSRUSA-N 1 1 420.916 2.692 20 0 HFADMO COC(=O)c1cc2c(OC)[nH]c(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)cc-2n1 ZINC001164731050 720379292 /nfs/dbraw/zinc/37/92/92/720379292.db2.gz YKQPFASDHFQXOC-RTBURBONSA-N 1 1 407.474 2.606 20 0 HFADMO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164725816 720417814 /nfs/dbraw/zinc/41/78/14/720417814.db2.gz BAKIIIFFDWWEPG-UHDDOPSISA-N 1 1 403.486 2.997 20 0 HFADMO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164735748 720425682 /nfs/dbraw/zinc/42/56/82/720425682.db2.gz YNCUDKGPQUCRMM-HOTGVXAUSA-N 1 1 407.852 2.627 20 0 HFADMO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164735748 720425695 /nfs/dbraw/zinc/42/56/95/720425695.db2.gz YNCUDKGPQUCRMM-HOTGVXAUSA-N 1 1 407.852 2.627 20 0 HFADMO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726437 720445143 /nfs/dbraw/zinc/44/51/43/720445143.db2.gz CDWHGTKFRJMZLW-STQMWFEESA-N 1 1 405.840 2.751 20 0 HFADMO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726437 720445151 /nfs/dbraw/zinc/44/51/51/720445151.db2.gz CDWHGTKFRJMZLW-STQMWFEESA-N 1 1 405.840 2.751 20 0 HFADMO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cc1C(=O)OCC ZINC001164725779 720485717 /nfs/dbraw/zinc/48/57/17/720485717.db2.gz KEEHIBQTOLUMHI-UXHICEINSA-N 1 1 424.501 2.683 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4nc[nH]c43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835302 720509668 /nfs/dbraw/zinc/50/96/68/720509668.db2.gz JTSKAXXQZPGAJL-SOUVJXGZSA-N 1 1 400.918 2.581 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4nc[nH]c43)CC[C@@H]21 ZINC001164835296 720509675 /nfs/dbraw/zinc/50/96/75/720509675.db2.gz JTSKAXXQZPGAJL-ILXRZTDVSA-N 1 1 400.918 2.581 20 0 HFADMO COC(=O)c1cc(F)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164834884 720511934 /nfs/dbraw/zinc/51/19/34/720511934.db2.gz HVOPCNVGXGCRRM-KVSKMBFKSA-N 1 1 401.486 2.582 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3COC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835240 720524713 /nfs/dbraw/zinc/52/47/13/720524713.db2.gz JFCNAZYOJYJQJL-RVKKMQEKSA-N 1 1 402.930 2.735 20 0 HFADMO COC(=O)c1c[nH]c2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)ccc12 ZINC001164840067 720526634 /nfs/dbraw/zinc/52/66/34/720526634.db2.gz WGTVKXOQXUZDEA-FUHIMQAGSA-N 1 1 422.533 2.924 20 0 HFADMO COc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(SC)n1 ZINC001164836661 720543319 /nfs/dbraw/zinc/54/33/19/720543319.db2.gz KNUPHALXGLLXGH-YESZJQIVSA-N 1 1 402.568 2.781 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc4ncnc(Cl)c4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840172 720573642 /nfs/dbraw/zinc/57/36/42/720573642.db2.gz SAOMQOBXHHGGLS-HLLBOEOZSA-N 1 1 412.929 2.648 20 0 HFADMO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc[nH]c4nc(=S)sc3-4)CC[C@@H]21 ZINC001164843557 720592233 /nfs/dbraw/zinc/59/22/33/720592233.db2.gz YCHQWTCAKOPDAW-KKUMJFAQSA-N 1 1 415.592 2.949 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc[nH]c4nc(=S)sc3-4)CC[C@@H]21 ZINC001164843557 720592243 /nfs/dbraw/zinc/59/22/43/720592243.db2.gz YCHQWTCAKOPDAW-KKUMJFAQSA-N 1 1 415.592 2.949 20 0 HFADMO CCOC(=O)Cc1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164838218 720645690 /nfs/dbraw/zinc/64/56/90/720645690.db2.gz GIFYUTCIILOZMT-QHAWAJNXSA-N 1 1 411.550 2.762 20 0 HFADMO Clc1cccc(-c2cccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)n1 ZINC001164739253 720699290 /nfs/dbraw/zinc/69/92/90/720699290.db2.gz MKVKIPGOSWDGLT-JKSUJKDBSA-N 1 1 408.893 2.929 20 0 HFADMO Cc1cc2c(c(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)n1)C(=O)NC2=O ZINC001164842316 720709260 /nfs/dbraw/zinc/70/92/60/720709260.db2.gz YFISIWMOEXNVTM-GOSISDBHSA-N 1 1 420.513 2.534 20 0 HFADMO c1cn(C2CCCC2)c2ncnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164737804 720710303 /nfs/dbraw/zinc/71/03/03/720710303.db2.gz GYFPNEIXKFYXQV-ZWKOTPCHSA-N 1 1 405.506 2.678 20 0 HFADMO Cc1nc2c3ccccc3oc2c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164739494 720725264 /nfs/dbraw/zinc/72/52/64/720725264.db2.gz IYABVENGAJURBR-HZPDHXFCSA-N 1 1 402.458 2.816 20 0 HFADMO Fc1cc2ncnc(Cl)c2c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164744916 720744932 /nfs/dbraw/zinc/74/49/32/720744932.db2.gz TUVYUCLMGUXSAD-UONOGXRCSA-N 1 1 400.845 2.554 20 0 HFADMO Clc1cnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(-c2ccccc2)n1 ZINC001164738578 720778879 /nfs/dbraw/zinc/77/88/79/720778879.db2.gz GBJOXYHMUSUGKY-SJORKVTESA-N 1 1 408.893 2.929 20 0 HFADMO Clc1nc2cc[nH]c2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164744142 720808564 /nfs/dbraw/zinc/80/85/64/720808564.db2.gz HLCDQDTUKSZGQO-ZMSDIMECSA-N 1 1 412.929 2.582 20 0 HFADMO Clc1nc2ncccc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164738003 720816136 /nfs/dbraw/zinc/81/61/36/720816136.db2.gz DHYDRHWPOWUTLL-LZLYRXPVSA-N 1 1 424.940 2.649 20 0 HFADMO FC(F)(c1cnc(Cl)nc1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738414 720816970 /nfs/dbraw/zinc/81/69/70/720816970.db2.gz FQDRBGSIONQAFM-HYVNUMGLSA-N 1 1 423.899 2.646 20 0 HFADMO FC(F)(c1ccc(Cl)nn1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738387 720817415 /nfs/dbraw/zinc/81/74/15/720817415.db2.gz FENXMROIRXSZSU-BZUAXINKSA-N 1 1 423.899 2.646 20 0 HFADMO COc1cc(Cl)ncc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738798 720822162 /nfs/dbraw/zinc/82/21/62/720822162.db2.gz GTXVKHIPTPGRDQ-BRWVUGGUSA-N 1 1 402.930 2.715 20 0 HFADMO Clc1cnc2c(c1)ncnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751822 720834203 /nfs/dbraw/zinc/83/42/03/720834203.db2.gz YZYUCHNJFXZTPR-HHXXYDBFSA-N 1 1 424.940 2.649 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)nc3Cl)CC[C@H]2C1 ZINC001164855250 720834318 /nfs/dbraw/zinc/83/43/18/720834318.db2.gz SYVUSFPMECLQQH-AAEUAGOBSA-N 1 1 411.280 2.502 20 0 HFADMO c1ncn(C[C@H]2C[C@@H]3CN(c4ccnc(-c5cccnc5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164739949 720834307 /nfs/dbraw/zinc/83/43/07/720834307.db2.gz BCVIBRPHOGUNND-NJDAHSKKSA-N 1 1 416.533 2.510 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(Cl)cc4)nn3)CC[C@@H]2C1 ZINC001164854235 720839032 /nfs/dbraw/zinc/83/90/32/720839032.db2.gz QFWWWDQWCYFNSN-XLIONFOSSA-N 1 1 402.926 2.971 20 0 HFADMO c1ncn(C[C@H]2C[C@H]3CN(c4cc(-c5ccncc5)ncn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164741920 720849643 /nfs/dbraw/zinc/84/96/43/720849643.db2.gz FWGFYEDTPGGAAL-TUNNFDKTSA-N 1 1 416.533 2.510 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3cc(Cl)nnc3-c3ccccc3)CC[C@H]2C1 ZINC001164860260 720856009 /nfs/dbraw/zinc/85/60/09/720856009.db2.gz WDYOOFSZATTWTB-HKUYNNGSSA-N 1 1 402.926 2.971 20 0 HFADMO CC(C)OC(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747169 720857085 /nfs/dbraw/zinc/85/70/85/720857085.db2.gz IAUHRGKEOTWVGM-IRFCIJBXSA-N 1 1 424.549 2.618 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4c3ccn4Cc3ccccc3)CC[C@H]2C1 ZINC001164858209 720860238 /nfs/dbraw/zinc/86/02/38/720860238.db2.gz RQBOFLPMKHNEAQ-RBBKRZOGSA-N 1 1 421.545 2.653 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)ccc3CN3CCCC3)CC[C@@H]2C1 ZINC001164855471 720861256 /nfs/dbraw/zinc/86/12/56/720861256.db2.gz MWMWDWKFOKBZRV-IEBWSBKVSA-N 1 1 408.974 2.504 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3cc(-c4nc(C(C)(C)C)no4)ccn3)CC[C@H]2C1 ZINC001164857419 720870592 /nfs/dbraw/zinc/87/05/92/720870592.db2.gz QTAXYUMQCZJRKV-ROUUACIJSA-N 1 1 415.538 2.603 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3c(Cl)nc(Cl)nc3C3CC3)CC[C@H]2C1 ZINC001164865218 720889588 /nfs/dbraw/zinc/88/95/88/720889588.db2.gz YWBHMBGFISHKGC-UONOGXRCSA-N 1 1 401.338 2.834 20 0 HFADMO COc1nc(C)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755384 720889718 /nfs/dbraw/zinc/88/97/18/720889718.db2.gz LSMHMVRMBXXALB-URXFXBBRSA-N 1 1 423.561 2.944 20 0 HFADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1c(Cl)nc(Cl)nc1C(N)=O)[C@H]2C ZINC001164857204 720971316 /nfs/dbraw/zinc/97/13/16/720971316.db2.gz DBFOBLCHFDHGLK-JTQLQIEISA-N 1 1 412.325 2.500 20 0 HFADMO Cc1nc(C(F)(F)N2CCc3[nH+]cc(Cn4cccn4)n3CC2)nc(Cl)c1C ZINC001164862692 721032344 /nfs/dbraw/zinc/03/23/44/721032344.db2.gz OPSRTWZYXJORIT-UHFFFAOYSA-N 1 1 407.856 2.796 20 0 HFADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCc3ncc(Cn4cccn4)n3CC2)n1 ZINC001164862614 721032866 /nfs/dbraw/zinc/03/28/66/721032866.db2.gz MTOBHILYSAIZPZ-UHFFFAOYSA-N 1 1 411.941 2.835 20 0 HFADMO Nc1cc(Cl)ncc1C(F)(F)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867635 721094638 /nfs/dbraw/zinc/09/46/38/721094638.db2.gz YZBUSVUDPSWTJM-GJZGRUSLSA-N 1 1 409.868 2.737 20 0 HFADMO CCOC(=O)c1c(C)cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1C ZINC001164865481 721102189 /nfs/dbraw/zinc/10/21/89/721102189.db2.gz LOXNGRDYKWSTSG-WOJBJXKFSA-N 1 1 410.518 2.750 20 0 HFADMO CCOC(=O)c1c(C)cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1C ZINC001164865479 721103518 /nfs/dbraw/zinc/10/35/18/721103518.db2.gz LOXNGRDYKWSTSG-UXHICEINSA-N 1 1 410.518 2.750 20 0 HFADMO CCOC(=O)c1c(C)cc(Cl)nc1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164769947 721107777 /nfs/dbraw/zinc/10/77/77/721107777.db2.gz QMJPJSQVVIODQU-SJORKVTESA-N 1 1 417.941 2.912 20 0 HFADMO CCOC(=O)c1cc2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)[nH]c-2n1 ZINC001164865608 721113438 /nfs/dbraw/zinc/11/34/38/721113438.db2.gz NKMATTKCJZXNIP-RBUKOAKNSA-N 1 1 421.501 2.614 20 0 HFADMO CCOC(=O)c1cc2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2[nH]1 ZINC001164865608 721113445 /nfs/dbraw/zinc/11/34/45/721113445.db2.gz NKMATTKCJZXNIP-RBUKOAKNSA-N 1 1 421.501 2.614 20 0 HFADMO CCOC(=O)c1cc2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2[nH]1 ZINC001164865608 721113453 /nfs/dbraw/zinc/11/34/53/721113453.db2.gz NKMATTKCJZXNIP-RBUKOAKNSA-N 1 1 421.501 2.614 20 0 HFADMO CCCN(CCC)c1cncc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865153 721115898 /nfs/dbraw/zinc/11/58/98/721115898.db2.gz IUAANEQOIUDHFB-SFTDATJTSA-N 1 1 410.566 2.978 20 0 HFADMO CCCN(CCC)c1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)ncn1 ZINC001164862804 721116788 /nfs/dbraw/zinc/11/67/88/721116788.db2.gz AOODYIRWYNSRKB-NHCUHLMSSA-N 1 1 410.566 2.978 20 0 HFADMO COC(=O)c1ccc2nc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)ccc2c1 ZINC001164768170 721116977 /nfs/dbraw/zinc/11/69/77/721116977.db2.gz NNCGWTXZYCUQNC-WOJBJXKFSA-N 1 1 405.502 2.713 20 0 HFADMO CCOC(=O)c1nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)ccc1Cl ZINC001164870220 721124904 /nfs/dbraw/zinc/12/49/04/721124904.db2.gz BWSFDLVCEOQZGF-IRXDYDNUSA-N 1 1 416.909 2.786 20 0 HFADMO CCOC(=O)c1nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ccc1Cl ZINC001164870221 721125544 /nfs/dbraw/zinc/12/55/44/721125544.db2.gz BWSFDLVCEOQZGF-SJORKVTESA-N 1 1 416.909 2.786 20 0 HFADMO COc1cccc2c1nc(Cl)nc2N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164762084 721127500 /nfs/dbraw/zinc/12/75/00/721127500.db2.gz BVIQFHWHFLTZHA-HZPDHXFCSA-N 1 1 412.925 2.984 20 0 HFADMO COc1cc2nc(C)nc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2cc1OC ZINC001164763396 721136791 /nfs/dbraw/zinc/13/67/91/721136791.db2.gz FMNWOEPCEPDTPA-MSOLQXFVSA-N 1 1 422.533 2.647 20 0 HFADMO COC(=O)c1cc2ccccc2nc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164765688 721164398 /nfs/dbraw/zinc/16/43/98/721164398.db2.gz IDDOUBHJSXNLCC-RBUKOAKNSA-N 1 1 405.502 2.713 20 0 HFADMO CSc1nc2ncnc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2s1 ZINC001164765019 721168915 /nfs/dbraw/zinc/16/89/15/721168915.db2.gz HLGFGRDFHACLJZ-ZIAGYGMSSA-N 1 1 401.565 2.500 20 0 HFADMO CCOC(=O)c1nc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)ccc1Cl ZINC001164761331 721178416 /nfs/dbraw/zinc/17/84/16/721178416.db2.gz APSJKAYDFQTELY-CVEARBPZSA-N 1 1 403.914 2.604 20 0 HFADMO c1cncc(CO[C@H]2C[C@H]3CN(c4cncc(OCC5CCCC5)n4)CC[N@H+]3C2)c1 ZINC001164880380 721184636 /nfs/dbraw/zinc/18/46/36/721184636.db2.gz WBQCQSSVHCMLNN-SFTDATJTSA-N 1 1 409.534 2.920 20 0 HFADMO CSc1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(SC)n1 ZINC001164869307 721189238 /nfs/dbraw/zinc/18/92/38/721189238.db2.gz QFSBUMNRRDXWGD-CVEARBPZSA-N 1 1 403.577 2.795 20 0 HFADMO COC(=O)C[C@H](c1ccnc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1)C1CC1 ZINC001164762730 721189572 /nfs/dbraw/zinc/18/95/72/721189572.db2.gz DMZUGBLZUCURIP-FSSWDIPSSA-N 1 1 423.561 2.830 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc5ccccc5nc4N4CCCC4)C[C@@H]3C2)cn1 ZINC001164774385 721190990 /nfs/dbraw/zinc/19/09/90/721190990.db2.gz YTENAAAQOKBASX-UXHICEINSA-N 1 1 417.561 2.922 20 0 HFADMO COc1ccccc1-c1cc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)ncn1 ZINC001164762630 721209048 /nfs/dbraw/zinc/20/90/48/721209048.db2.gz DBTCDFITVPVJRV-MOPGFXCFSA-N 1 1 404.518 2.844 20 0 HFADMO COC(=O)c1cc2ccccc2c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164770919 721209771 /nfs/dbraw/zinc/20/97/71/721209771.db2.gz PFMXOMYEDDAFDJ-RBUKOAKNSA-N 1 1 405.502 2.713 20 0 HFADMO COc1ccc(-c2cc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)ncn2)cc1 ZINC001164772870 721209964 /nfs/dbraw/zinc/20/99/64/721209964.db2.gz VTRAALVLGKKNDT-PMACEKPBSA-N 1 1 404.518 2.844 20 0 HFADMO COc1cc2cnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)cc2cc1OC ZINC001164768268 721212776 /nfs/dbraw/zinc/21/27/76/721212776.db2.gz KTLMBUKOWLTPOF-FXAWDEMLSA-N 1 1 407.518 2.944 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)C[C@@H]3C2)cn1 ZINC001164766218 721230903 /nfs/dbraw/zinc/23/09/03/721230903.db2.gz SZDKMCBRVXITPL-OALUTQOASA-N 1 1 405.506 2.701 20 0 HFADMO CCN1CC[C@]2(CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]2C)C1=O ZINC001164777475 721318284 /nfs/dbraw/zinc/31/82/84/721318284.db2.gz JUGJEXXSKVABBR-HOYKHHGWSA-N 1 1 405.546 2.730 20 0 HFADMO CCN1CC[C@]2(CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]2C)C1=O ZINC001164777475 721318289 /nfs/dbraw/zinc/31/82/89/721318289.db2.gz JUGJEXXSKVABBR-HOYKHHGWSA-N 1 1 405.546 2.730 20 0 HFADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC3(CC(N(C)C)=[NH+]O3)CC2)c1 ZINC001164878313 721326284 /nfs/dbraw/zinc/32/62/84/721326284.db2.gz NHTYAVOHJPMOFU-UHFFFAOYSA-N 1 1 402.829 2.701 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4cccnc43)C2)C1 ZINC001164777734 721338073 /nfs/dbraw/zinc/33/80/73/721338073.db2.gz PWSZPPLUFZOIAQ-JOCHJYFZSA-N 1 1 408.506 2.749 20 0 HFADMO Cc1nc2ccc(F)cc2c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164892898 721397731 /nfs/dbraw/zinc/39/77/31/721397731.db2.gz UIHRAMXPORDVIZ-WMZHIEFXSA-N 1 1 413.541 2.843 20 0 HFADMO COc1cc2nc(C)nc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c2cc1OC ZINC001164788040 721411234 /nfs/dbraw/zinc/41/12/34/721411234.db2.gz QPRHPTRQQFWYOW-GJZGRUSLSA-N 1 1 411.531 2.980 20 0 HFADMO CSc1cnc(Cl)nc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164884039 721415740 /nfs/dbraw/zinc/41/57/40/721415740.db2.gz CZYUVDJXDNATMV-DNVCBOLYSA-N 1 1 412.003 2.617 20 0 HFADMO CC1CCN(C(=O)c2ccc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nc2)CC1 ZINC001164784819 721425852 /nfs/dbraw/zinc/42/58/52/721425852.db2.gz MNHNSFZQLWISMW-KDURUIRLSA-N 1 1 411.575 2.978 20 0 HFADMO CC1CCN(C(=O)c2ccc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nc2)CC1 ZINC001164784819 721425854 /nfs/dbraw/zinc/42/58/54/721425854.db2.gz MNHNSFZQLWISMW-KDURUIRLSA-N 1 1 411.575 2.978 20 0 HFADMO C=Cc1nc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1OC ZINC001164897739 721430755 /nfs/dbraw/zinc/43/07/55/721430755.db2.gz UPNCNGZYRQYHPK-KKSFZXQISA-N 1 1 421.973 2.547 20 0 HFADMO Cc1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(-c2ccccn2)n1 ZINC001164894283 721432517 /nfs/dbraw/zinc/43/25/17/721432517.db2.gz LJVJPGLAIKTOGR-HYBUGGRVSA-N 1 1 422.577 2.612 20 0 HFADMO c1csc(C[N@H+]2C[C@H]3CN(c4ncnc5c4ncn5-c4ccccc4)C[C@H]3C2)n1 ZINC001164783350 721434255 /nfs/dbraw/zinc/43/42/55/721434255.db2.gz IJCVBELVKNDFLI-IYBDPMFKSA-N 1 1 403.515 2.840 20 0 HFADMO c1csc(C[N@@H+]2C[C@H]3CN(c4ncnc5c4ncn5-c4ccccc4)C[C@H]3C2)n1 ZINC001164783350 721434257 /nfs/dbraw/zinc/43/42/57/721434257.db2.gz IJCVBELVKNDFLI-IYBDPMFKSA-N 1 1 403.515 2.840 20 0 HFADMO CCCSc1cncc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164893691 721439574 /nfs/dbraw/zinc/43/95/74/721439574.db2.gz JYUSHUCPSNRPDL-RXVVDRJESA-N 1 1 405.612 2.744 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5ccsc5)nn4)C3)O2)CC1 ZINC001164898512 721445211 /nfs/dbraw/zinc/44/52/11/721445211.db2.gz WCYNYURJCZHSHQ-SIKLNZKXSA-N 1 1 413.591 2.971 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(C5CC5)nc5[nH]ccc54)C3)O2)CC1 ZINC001164886020 721447023 /nfs/dbraw/zinc/44/70/23/721447023.db2.gz GCSQNLUIGPFBLQ-MBSDFSHPSA-N 1 1 410.566 2.601 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)nc(OC)c1C)CC2 ZINC001164791246 721471188 /nfs/dbraw/zinc/47/11/88/721471188.db2.gz VYTYKXFCXZZDCX-HXUWFJFHSA-N 1 1 418.582 2.836 20 0 HFADMO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncccc1S(C)(=O)=O)CC2 ZINC001164792504 721493409 /nfs/dbraw/zinc/49/34/09/721493409.db2.gz PWOMNHIFGUONSW-UHFFFAOYSA-N 1 1 400.548 2.761 20 0 HFADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncccc1S(C)(=O)=O)CC2 ZINC001164792504 721493411 /nfs/dbraw/zinc/49/34/11/721493411.db2.gz PWOMNHIFGUONSW-UHFFFAOYSA-N 1 1 400.548 2.761 20 0 HFADMO Cc1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1C(N)=O ZINC001164897691 721513581 /nfs/dbraw/zinc/51/35/81/721513581.db2.gz GIAZXEMXAXJRKS-GOEBONIOSA-N 1 1 404.873 2.623 20 0 HFADMO COC(=O)c1cnc(Cl)cc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164795080 721526387 /nfs/dbraw/zinc/52/63/87/721526387.db2.gz JDMBSPRQRMBDEY-XKGZKEIXSA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1cnc(Cl)cc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164795080 721526390 /nfs/dbraw/zinc/52/63/90/721526390.db2.gz JDMBSPRQRMBDEY-XKGZKEIXSA-N 1 1 416.909 2.785 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3ccncc32)[C@@H]2CCCO[C@H]21 ZINC001164808985 721534591 /nfs/dbraw/zinc/53/45/91/721534591.db2.gz SVKFXNGAUGITIR-GUDVDZBRSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3ccncc32)[C@@H]2CCCO[C@H]21 ZINC001164808985 721534595 /nfs/dbraw/zinc/53/45/95/721534595.db2.gz SVKFXNGAUGITIR-GUDVDZBRSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)nc2)[C@H]2CCCO[C@@H]12 ZINC001164803091 721536746 /nfs/dbraw/zinc/53/67/46/721536746.db2.gz HWIMNUDGMCBRME-GVDBMIGSSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)nc2)[C@H]2CCCO[C@@H]12 ZINC001164803091 721536748 /nfs/dbraw/zinc/53/67/48/721536748.db2.gz HWIMNUDGMCBRME-GVDBMIGSSA-N 1 1 409.868 2.938 20 0 HFADMO COc1cccc2c1ncnc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164806142 721538376 /nfs/dbraw/zinc/53/83/76/721538376.db2.gz OFTAMZNJFOGMCT-CNNODRBYSA-N 1 1 405.502 2.902 20 0 HFADMO COc1ccc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2c1 ZINC001164804592 721538670 /nfs/dbraw/zinc/53/86/70/721538670.db2.gz KQADMQPHTUAHJX-BHIFYINESA-N 1 1 405.502 2.902 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cnccc32)[C@@H]2CCCO[C@H]12 ZINC001164799867 721543755 /nfs/dbraw/zinc/54/37/55/721543755.db2.gz BKCNJVRLIUVYAV-QRVBRYPASA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cnccc32)[C@@H]2CCCO[C@H]12 ZINC001164799867 721543760 /nfs/dbraw/zinc/54/37/60/721543760.db2.gz BKCNJVRLIUVYAV-QRVBRYPASA-N 1 1 410.909 2.941 20 0 HFADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4ncc5ncnc(Cl)c5n4)CC[N@H+]3C2)c1 ZINC001164910231 721544814 /nfs/dbraw/zinc/54/48/14/721544814.db2.gz TVTXTXYRQDWBPX-HIFRSBDPSA-N 1 1 400.845 2.554 20 0 HFADMO CON(C)C(=O)c1cc(C)cnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164907621 721547949 /nfs/dbraw/zinc/54/79/49/721547949.db2.gz NQLFZHQWEFDRPA-MJGOQNOKSA-N 1 1 414.481 2.504 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(NC(=O)C(C)(C)C)nn2)[C@H]2CCCO[C@@H]12 ZINC001164799571 721553672 /nfs/dbraw/zinc/55/36/72/721553672.db2.gz CNJPKFYTZSQGKL-WAOWUJCRSA-N 1 1 424.549 2.724 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(NC(=O)C(C)(C)C)nn2)[C@H]2CCCO[C@@H]12 ZINC001164799571 721553673 /nfs/dbraw/zinc/55/36/73/721553673.db2.gz CNJPKFYTZSQGKL-WAOWUJCRSA-N 1 1 424.549 2.724 20 0 HFADMO COC(=O)c1cc(F)c(C)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164801072 721554844 /nfs/dbraw/zinc/55/48/44/721554844.db2.gz GHYVULOVVSCDKM-SLFFLAALSA-N 1 1 414.481 2.579 20 0 HFADMO COC(=O)c1cc(F)c(C)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164801072 721554846 /nfs/dbraw/zinc/55/48/46/721554846.db2.gz GHYVULOVVSCDKM-SLFFLAALSA-N 1 1 414.481 2.579 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)NC(C)(C)C)cn2)[C@H]2CCCO[C@H]12 ZINC001164807912 721554882 /nfs/dbraw/zinc/55/48/82/721554882.db2.gz UAXKBUWLRFDRMY-VWPQPMDRSA-N 1 1 423.561 2.873 20 0 HFADMO CCOC(=O)c1cc(C)cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164808654 721554962 /nfs/dbraw/zinc/55/49/62/721554962.db2.gz VHGDODJGKQLYSU-ACRUOGEOSA-N 1 1 410.518 2.830 20 0 HFADMO CCOC(=O)c1cc(C)cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164808654 721554967 /nfs/dbraw/zinc/55/49/67/721554967.db2.gz VHGDODJGKQLYSU-ACRUOGEOSA-N 1 1 410.518 2.830 20 0 HFADMO CCOC(=O)c1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ncc1C ZINC001164801804 721559025 /nfs/dbraw/zinc/55/90/25/721559025.db2.gz HHNVYNMBASBMBY-JAXLGGSGSA-N 1 1 410.518 2.830 20 0 HFADMO [O-][n+]1ccc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc1Cl ZINC001164911280 721567146 /nfs/dbraw/zinc/56/71/46/721567146.db2.gz YNIRAFBPPHDNNA-RDJZCZTQSA-N 1 1 413.827 2.999 20 0 HFADMO CCOC(=O)c1c(C)ccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164809855 721569230 /nfs/dbraw/zinc/56/92/30/721569230.db2.gz XONQGZANYRFMGF-SVFBPWRDSA-N 1 1 410.518 2.830 20 0 HFADMO CCOC(=O)c1c(C)ccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164809855 721569234 /nfs/dbraw/zinc/56/92/34/721569234.db2.gz XONQGZANYRFMGF-SVFBPWRDSA-N 1 1 410.518 2.830 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(N3CCCCC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164802934 721575614 /nfs/dbraw/zinc/57/56/14/721575614.db2.gz IVCFXYATLQDHJG-SJBKTWHCSA-N 1 1 408.550 2.730 20 0 HFADMO CN(Cc1cccnc1)[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)[C@H]2CCCO[C@H]12 ZINC001164805672 721576069 /nfs/dbraw/zinc/57/60/69/721576069.db2.gz OKCHQVHZGWMKAW-ZDXQCDESSA-N 1 1 407.562 2.941 20 0 HFADMO Cc1noc(-c2cccnc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164808096 721579581 /nfs/dbraw/zinc/57/95/81/721579581.db2.gz PXDWCMJMSWNKAE-AABGKKOBSA-N 1 1 406.490 2.703 20 0 HFADMO Cc1noc(-c2cccnc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164808096 721579582 /nfs/dbraw/zinc/57/95/82/721579582.db2.gz PXDWCMJMSWNKAE-AABGKKOBSA-N 1 1 406.490 2.703 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccncc3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164810822 721583755 /nfs/dbraw/zinc/58/37/55/721583755.db2.gz WGXPDZNXEPTJPN-QZNHQXDQSA-N 1 1 402.502 2.802 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccncc3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164810822 721583757 /nfs/dbraw/zinc/58/37/57/721583757.db2.gz WGXPDZNXEPTJPN-QZNHQXDQSA-N 1 1 402.502 2.802 20 0 HFADMO NC(=O)c1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1Cl ZINC001164904762 721586546 /nfs/dbraw/zinc/58/65/46/721586546.db2.gz GEZUKXZWXAWQCX-IBGZPJMESA-N 1 1 421.879 2.967 20 0 HFADMO CC(C)OC(=O)c1cccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164809534 721588114 /nfs/dbraw/zinc/58/81/14/721588114.db2.gz SUUYMHCLSGQWAA-QHAWAJNXSA-N 1 1 410.518 2.910 20 0 HFADMO CC(C)OC(=O)c1cccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164809534 721588115 /nfs/dbraw/zinc/58/81/15/721588115.db2.gz SUUYMHCLSGQWAA-QHAWAJNXSA-N 1 1 410.518 2.910 20 0 HFADMO COc1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1OC ZINC001164904289 721702588 /nfs/dbraw/zinc/70/25/88/721702588.db2.gz BIKMFUMYQHWJRN-LJQANCHMSA-N 1 1 405.449 2.627 20 0 HFADMO FC1(F)CCN(c2ccc(-n3ccnc3)nn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907353 721713960 /nfs/dbraw/zinc/71/39/60/721713960.db2.gz RCQNMTUPDKEZIB-HXUWFJFHSA-N 1 1 411.460 2.795 20 0 HFADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2ccc(F)c(Cl)n2)CC1 ZINC001165009855 721731621 /nfs/dbraw/zinc/73/16/21/721731621.db2.gz ZSNYKHPSIYWALD-UHFFFAOYSA-N 1 1 404.864 2.942 20 0 HFADMO COC(=O)c1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)ncc1N ZINC001164908907 721750829 /nfs/dbraw/zinc/75/08/29/721750829.db2.gz OEEZITWNHLVSEC-UHFFFAOYSA-N 1 1 407.474 2.633 20 0 HFADMO COC(=O)c1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)ncc1N ZINC001164908907 721750832 /nfs/dbraw/zinc/75/08/32/721750832.db2.gz OEEZITWNHLVSEC-UHFFFAOYSA-N 1 1 407.474 2.633 20 0 HFADMO CCOC(=O)c1nccnc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164910893 721754255 /nfs/dbraw/zinc/75/42/55/721754255.db2.gz TXDOMLNZOAVSPI-UHFFFAOYSA-N 1 1 407.474 2.836 20 0 HFADMO CCOC(=O)c1nccnc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164910893 721754258 /nfs/dbraw/zinc/75/42/58/721754258.db2.gz TXDOMLNZOAVSPI-UHFFFAOYSA-N 1 1 407.474 2.836 20 0 HFADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001164932242 721861417 /nfs/dbraw/zinc/86/14/17/721861417.db2.gz XRZGZTINOZTFEA-DLBZAZTESA-N 1 1 417.941 2.675 20 0 HFADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001164932242 721861420 /nfs/dbraw/zinc/86/14/20/721861420.db2.gz XRZGZTINOZTFEA-DLBZAZTESA-N 1 1 417.941 2.675 20 0 HFADMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc(Oc2ccc(F)cc2)n1 ZINC001164927100 721870002 /nfs/dbraw/zinc/87/00/02/721870002.db2.gz UOKCTSMXNPYEPB-HOTGVXAUSA-N 1 1 406.893 2.671 20 0 HFADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc(Oc2ccc(F)cc2)n1 ZINC001164927100 721870005 /nfs/dbraw/zinc/87/00/05/721870005.db2.gz UOKCTSMXNPYEPB-HOTGVXAUSA-N 1 1 406.893 2.671 20 0 HFADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165040048 721907210 /nfs/dbraw/zinc/90/72/10/721907210.db2.gz WNQPLDSOFCXQOD-HNNXBMFYSA-N 1 1 402.520 2.683 20 0 HFADMO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165043655 721925541 /nfs/dbraw/zinc/92/55/41/721925541.db2.gz OVCRLLOYDCJIFJ-AWEZNQCLSA-N 1 1 404.845 2.673 20 0 HFADMO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165043656 721925650 /nfs/dbraw/zinc/92/56/50/721925650.db2.gz OVCRLLOYDCJIFJ-CQSZACIVSA-N 1 1 404.845 2.673 20 0 HFADMO COCc1nc(OC)cc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164941794 721933032 /nfs/dbraw/zinc/93/30/32/721933032.db2.gz JJXMDYHBWWALAK-UHFFFAOYSA-N 1 1 412.534 2.811 20 0 HFADMO CCOC(=O)c1cnc(SC)nc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165041984 721952006 /nfs/dbraw/zinc/95/20/06/721952006.db2.gz FYCBWPJIOMGWOQ-UHFFFAOYSA-N 1 1 402.520 2.576 20 0 HFADMO Cc1cccc2c1ncnc2N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945662 721971576 /nfs/dbraw/zinc/97/15/76/721971576.db2.gz PKTKCQFZTLCYFO-UHFFFAOYSA-N 1 1 401.514 2.909 20 0 HFADMO Cc1cccc2c1ncnc2N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945662 721971580 /nfs/dbraw/zinc/97/15/80/721971580.db2.gz PKTKCQFZTLCYFO-UHFFFAOYSA-N 1 1 401.514 2.909 20 0 HFADMO C[N@@H+](Cc1ccc(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)nc1)C1CC1 ZINC001164946381 721979478 /nfs/dbraw/zinc/97/94/78/721979478.db2.gz DNKUTQNESLHORH-UHFFFAOYSA-N 1 1 419.573 2.647 20 0 HFADMO CCS(=O)(=O)c1ccnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164957226 722025169 /nfs/dbraw/zinc/02/51/69/722025169.db2.gz AMBAKURWGIDWMQ-UHFFFAOYSA-N 1 1 400.548 2.763 20 0 HFADMO CCS(=O)(=O)c1ccnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164957226 722025171 /nfs/dbraw/zinc/02/51/71/722025171.db2.gz AMBAKURWGIDWMQ-UHFFFAOYSA-N 1 1 400.548 2.763 20 0 HFADMO c1cc(C[N@H+]2CCOCC3(CCN(c4nccc(N5CCCC5)n4)CC3)C2)ccn1 ZINC001164961194 722051780 /nfs/dbraw/zinc/05/17/80/722051780.db2.gz VKWNVJZUBKSTKO-UHFFFAOYSA-N 1 1 408.550 2.591 20 0 HFADMO COC(=O)c1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1Cl ZINC001164983986 722102458 /nfs/dbraw/zinc/10/24/58/722102458.db2.gz RLEWALPZTFCVOP-APWZRJJASA-N 1 1 416.909 2.644 20 0 HFADMO COC(=O)c1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1Cl ZINC001164983993 722102904 /nfs/dbraw/zinc/10/29/04/722102904.db2.gz RLEWALPZTFCVOP-QFBILLFUSA-N 1 1 416.909 2.644 20 0 HFADMO Clc1nc2ncccc2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984701 722104972 /nfs/dbraw/zinc/10/49/72/722104972.db2.gz TZNCDAWGXOVPMB-WMZOPIPTSA-N 1 1 410.909 2.801 20 0 HFADMO FC(F)(c1cnc(Cl)nc1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164985882 722105827 /nfs/dbraw/zinc/10/58/27/722105827.db2.gz XJVYRSQUZYOIPP-WBVHZDCISA-N 1 1 409.868 2.797 20 0 HFADMO COC(=O)c1c(C)cc(C)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974907 722115996 /nfs/dbraw/zinc/11/59/96/722115996.db2.gz IVIDXQKPGHJLNK-WOJBJXKFSA-N 1 1 410.518 2.607 20 0 HFADMO COC(=O)c1ccc(Cl)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164974890 722122990 /nfs/dbraw/zinc/12/29/90/722122990.db2.gz ITWBOZIIDIIWSB-QFBILLFUSA-N 1 1 416.909 2.644 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ccnc(-c5cccnc5)n4)CC[C@@H]3C2)c1 ZINC001164978151 722125756 /nfs/dbraw/zinc/12/57/56/722125756.db2.gz NPNZLRSQECQLDM-NHCUHLMSSA-N 1 1 402.502 2.661 20 0 HFADMO CSc1cnc(Cl)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982688 722136255 /nfs/dbraw/zinc/13/62/55/722136255.db2.gz SCYYXKXEXODUOE-HOTGVXAUSA-N 1 1 405.955 2.974 20 0 HFADMO CC(C)n1cnc2cnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164984580 722142495 /nfs/dbraw/zinc/14/24/95/722142495.db2.gz XEXKNKJOAVYVLG-ICSRJNTNSA-N 1 1 407.522 2.530 20 0 HFADMO COc1cccc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164981706 722143333 /nfs/dbraw/zinc/14/33/33/722143333.db2.gz PZXITJWJEXQBAR-RXVVDRJESA-N 1 1 405.502 2.761 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4cc(-c5ccncc5)ncn4)CC[C@@H]3C2)c1 ZINC001164978894 722144715 /nfs/dbraw/zinc/14/47/15/722144715.db2.gz KLWYSJOTILGKRO-IFMALSPDSA-N 1 1 402.502 2.661 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4cc(-c5ccncc5)ncn4)CC[C@H]3C2)c1 ZINC001164978896 722144935 /nfs/dbraw/zinc/14/49/35/722144935.db2.gz KLWYSJOTILGKRO-RBBKRZOGSA-N 1 1 402.502 2.661 20 0 HFADMO NS(=O)(=O)c1cnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(Cl)c1 ZINC001164993155 722197856 /nfs/dbraw/zinc/19/78/56/722197856.db2.gz CCEGGBCMIDSVBV-IBGZPJMESA-N 1 1 424.929 2.766 20 0 HFADMO NS(=O)(=O)c1cnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(Cl)c1 ZINC001164993155 722197859 /nfs/dbraw/zinc/19/78/59/722197859.db2.gz CCEGGBCMIDSVBV-IBGZPJMESA-N 1 1 424.929 2.766 20 0 HFADMO C[N@@H+](Cc1ccc(N2CCO[C@]3(CCCN(C(=O)c4ccco4)C3)C2)nc1)C1CC1 ZINC001165001799 722250042 /nfs/dbraw/zinc/25/00/42/722250042.db2.gz VHKIZZPXZJBKRF-HSZRJFAPSA-N 1 1 410.518 2.780 20 0 HFADMO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1cc[nH+]c(N3CCCCC3)n1)C2 ZINC001165006479 722268095 /nfs/dbraw/zinc/26/80/95/722268095.db2.gz JYEAKBLLQWGJML-HSZRJFAPSA-N 1 1 424.524 2.534 20 0 HFADMO C[NH+]1CCN(c2nccc(N3CC[C@H](OCC4CC4)[C@@H]3Cc3ccccc3)n2)CC1 ZINC001165004554 722272028 /nfs/dbraw/zinc/27/20/28/722272028.db2.gz BLXXBSRBBHNLMX-VXKWHMMOSA-N 1 1 407.562 2.845 20 0 HFADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C[C@@H](O)c3cccc(F)c3)cc2)CC1 ZINC000772756200 1078052127 /nfs/dbraw/zinc/05/21/27/1078052127.db2.gz GXLOGDOUZHVWRF-OAQYLSRUSA-N 1 1 413.493 2.595 20 0 HFADMO C[C@H](CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)[N@H+]1CCCC[C@H]1C ZINC000793049990 1078056827 /nfs/dbraw/zinc/05/68/27/1078056827.db2.gz CIDXBOUMSDVWAB-DGQTTZFYSA-N 1 1 424.545 2.957 20 0 HFADMO CCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)[C@@H]1c1cncn1C ZINC000793082231 1078063750 /nfs/dbraw/zinc/06/37/50/1078063750.db2.gz LWEOBJWYOYIZHD-DYESRHJHSA-N 1 1 421.505 2.638 20 0 HFADMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1nc(Br)ccc1Br ZINC000790607827 1078074010 /nfs/dbraw/zinc/07/40/10/1078074010.db2.gz FYVRJTWPXJPIMT-JTQLQIEISA-N 1 1 403.118 2.821 20 0 HFADMO Cc1nn(C)c(-n2ccnc2C)c1C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000793101425 1078077326 /nfs/dbraw/zinc/07/73/26/1078077326.db2.gz IZDIBKYVFOSHCL-UHFFFAOYSA-N 1 1 407.522 2.617 20 0 HFADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)c3cc4ccccc4c(Cl)n3)CC2)CC1 ZINC000772759259 1078082299 /nfs/dbraw/zinc/08/22/99/1078082299.db2.gz YTONFGILFPUDJF-UHFFFAOYSA-N 1 1 400.910 2.514 20 0 HFADMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000793273367 1078115912 /nfs/dbraw/zinc/11/59/12/1078115912.db2.gz GWYUFEARPOLHLF-PMACEKPBSA-N 1 1 424.545 2.911 20 0 HFADMO NC(=O)COc1ccc(C[N@H+]2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1 ZINC000793294072 1078120358 /nfs/dbraw/zinc/12/03/58/1078120358.db2.gz DPILXYZBFRBZPX-HXUWFJFHSA-N 1 1 411.502 2.689 20 0 HFADMO COCC1(CNC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000790814304 1078127704 /nfs/dbraw/zinc/12/77/04/1078127704.db2.gz PYARHHUHIHYHSX-KRWDZBQOSA-N 1 1 424.586 2.600 20 0 HFADMO CCOC(=O)c1cn(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1C(F)(F)F ZINC000772831232 1078137717 /nfs/dbraw/zinc/13/77/17/1078137717.db2.gz ZPWDVMVTRTZBLZ-CZUORRHYSA-N 1 1 400.445 2.985 20 0 HFADMO CN(C[C@@H]1C[C@H](F)CN1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)OC(C)(C)C ZINC000790847360 1078146799 /nfs/dbraw/zinc/14/67/99/1078146799.db2.gz NCXNDLUAHPMFIM-SZMVWBNQSA-N 1 1 412.550 2.992 20 0 HFADMO CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000790876805 1078168816 /nfs/dbraw/zinc/16/88/16/1078168816.db2.gz KHTGJTAJZUNILB-SFHVURJKSA-N 1 1 403.523 2.899 20 0 HFADMO COc1ccc([C@H]2[C@@H](COC(=O)C3CCN(c4cnccn4)CC3)CC[N@H+]2C)cc1 ZINC000747120830 1078174174 /nfs/dbraw/zinc/17/41/74/1078174174.db2.gz OFQCYOKCJBWTMG-KNQAVFIVSA-N 1 1 410.518 2.938 20 0 HFADMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793457437 1078192707 /nfs/dbraw/zinc/19/27/07/1078192707.db2.gz BCZKTVUWYHDONJ-JWWGGVBKSA-N 1 1 424.545 2.957 20 0 HFADMO C[N@@H+]1CCN(C(=O)C[C@H](c2ccccc2)N2CCOC2=O)C[C@@H]1Cc1ccccc1 ZINC000793507141 1078193623 /nfs/dbraw/zinc/19/36/23/1078193623.db2.gz XQFWCSBPIXGGAZ-FCHUYYIVSA-N 1 1 407.514 2.955 20 0 HFADMO C[N@H+]1CCN(C(=O)C[C@H](c2ccccc2)N2CCOC2=O)C[C@@H]1Cc1ccccc1 ZINC000793507141 1078193625 /nfs/dbraw/zinc/19/36/25/1078193625.db2.gz XQFWCSBPIXGGAZ-FCHUYYIVSA-N 1 1 407.514 2.955 20 0 HFADMO C[N@@H+]1CCN(C(=O)C[C@@H](c2ccccc2)N2CCOC2=O)C[C@@H]1Cc1ccccc1 ZINC000793507145 1078193629 /nfs/dbraw/zinc/19/36/29/1078193629.db2.gz XQFWCSBPIXGGAZ-VXKWHMMOSA-N 1 1 407.514 2.955 20 0 HFADMO C[N@H+]1CCN(C(=O)C[C@@H](c2ccccc2)N2CCOC2=O)C[C@@H]1Cc1ccccc1 ZINC000793507145 1078193631 /nfs/dbraw/zinc/19/36/31/1078193631.db2.gz XQFWCSBPIXGGAZ-VXKWHMMOSA-N 1 1 407.514 2.955 20 0 HFADMO O=C(NC[C@H]1CCC[N@H+](CN2CC[C@H](CCc3ccccc3)C2=O)C1)C(F)(F)F ZINC000793518543 1078197897 /nfs/dbraw/zinc/19/78/97/1078197897.db2.gz GOBYFICPMMUBFD-MSOLQXFVSA-N 1 1 411.468 2.816 20 0 HFADMO O=C(NC[C@H]1CCC[N@@H+](CN2CC[C@H](CCc3ccccc3)C2=O)C1)C(F)(F)F ZINC000793518543 1078197899 /nfs/dbraw/zinc/19/78/99/1078197899.db2.gz GOBYFICPMMUBFD-MSOLQXFVSA-N 1 1 411.468 2.816 20 0 HFADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3N3CCOCC3)cc2)CC1 ZINC000747126319 1078198547 /nfs/dbraw/zinc/19/85/47/1078198547.db2.gz DKHRBIUPJHOIGX-UHFFFAOYSA-N 1 1 422.529 2.553 20 0 HFADMO CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NCc2c[nH+]c3n2CCCC3)C1(C)C ZINC000793501964 1078204119 /nfs/dbraw/zinc/20/41/19/1078204119.db2.gz YDRUIJAQKGVRIM-ZHRRBRCNSA-N 1 1 420.554 2.934 20 0 HFADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NCc2cnc(C(C)(C)C)nc2)cc1 ZINC000793588216 1078216211 /nfs/dbraw/zinc/21/62/11/1078216211.db2.gz RWGJSPNFVGYGNA-UHFFFAOYSA-N 1 1 410.566 2.596 20 0 HFADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793577763 1078213407 /nfs/dbraw/zinc/21/34/07/1078213407.db2.gz SYNKLRPZFWNBSW-NJYVYQBISA-N 1 1 424.545 2.911 20 0 HFADMO COC(=O)CC[N@@H+](Cc1cccc(I)c1)C1CCOCC1 ZINC000793587657 1078215979 /nfs/dbraw/zinc/21/59/79/1078215979.db2.gz JGJCULLVSAKHAT-UHFFFAOYSA-N 1 1 403.260 2.835 20 0 HFADMO COc1cc2c(cc1CN1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)O[C@@H](C)C2 ZINC000793603949 1078222281 /nfs/dbraw/zinc/22/22/81/1078222281.db2.gz MWVGTVFNXSZMNA-YJBOKZPZSA-N 1 1 405.539 2.659 20 0 HFADMO COc1cc2c(cc1CN1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)O[C@@H](C)C2 ZINC000793603949 1078222284 /nfs/dbraw/zinc/22/22/84/1078222284.db2.gz MWVGTVFNXSZMNA-YJBOKZPZSA-N 1 1 405.539 2.659 20 0 HFADMO C[N@@H+]1CCN(Cc2cnn(-c3ccc(F)cc3)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793605650 1078223199 /nfs/dbraw/zinc/22/31/99/1078223199.db2.gz WTZPWALKHVIYCI-IBGZPJMESA-N 1 1 403.502 2.652 20 0 HFADMO C[N@H+]1CCN(Cc2cnn(-c3ccc(F)cc3)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793605650 1078223202 /nfs/dbraw/zinc/22/32/02/1078223202.db2.gz WTZPWALKHVIYCI-IBGZPJMESA-N 1 1 403.502 2.652 20 0 HFADMO C[N@@H+]1CCN(Cc2ccc3c(c2)COC(C)(C)O3)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793605679 1078223522 /nfs/dbraw/zinc/22/35/22/1078223522.db2.gz XDRQWGVKNMXBDL-SFHVURJKSA-N 1 1 405.539 2.972 20 0 HFADMO C[N@H+]1CCN(Cc2ccc3c(c2)COC(C)(C)O3)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793605679 1078223524 /nfs/dbraw/zinc/22/35/24/1078223524.db2.gz XDRQWGVKNMXBDL-SFHVURJKSA-N 1 1 405.539 2.972 20 0 HFADMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)NCc1ccc([C@H](C)O)cc1 ZINC000793629672 1078233261 /nfs/dbraw/zinc/23/32/61/1078233261.db2.gz JOXXPOARPDUSQU-PGRDOPGGSA-N 1 1 411.546 2.629 20 0 HFADMO CC[C@H](c1nn(CN2CCO[C@H]3C[C@H]32)c(=S)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000793614937 1078228409 /nfs/dbraw/zinc/22/84/09/1078228409.db2.gz NCGWEIPOSQNCLD-KURKYZTESA-N 1 1 403.552 2.855 20 0 HFADMO C[C@@H](O)c1ccc(CNC(=O)C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000793642192 1078238840 /nfs/dbraw/zinc/23/88/40/1078238840.db2.gz JAABTLKFJGTSJO-KCESLBEFSA-N 1 1 423.557 2.629 20 0 HFADMO COCC1(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793676103 1078250603 /nfs/dbraw/zinc/25/06/03/1078250603.db2.gz AVZPXXSDLDFPLL-ROUUACIJSA-N 1 1 409.571 2.593 20 0 HFADMO C[C@H](O)c1ccc(CNC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000793654852 1078258060 /nfs/dbraw/zinc/25/80/60/1078258060.db2.gz GOSPTLRHDMGCJT-BOSCWZPRSA-N 1 1 421.541 2.668 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C(=O)CC4(CCCCC4)C3=O)CC[C@H]21 ZINC000793712797 1078261434 /nfs/dbraw/zinc/26/14/34/1078261434.db2.gz ZBDGCIYBPGVMRQ-IAGOWNOFSA-N 1 1 405.539 2.985 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C(=O)CC4(CCCCC4)C3=O)CC[C@H]21 ZINC000793712797 1078261440 /nfs/dbraw/zinc/26/14/40/1078261440.db2.gz ZBDGCIYBPGVMRQ-IAGOWNOFSA-N 1 1 405.539 2.985 20 0 HFADMO Cn1cc([C@@H]2N(C[N@@H+]3CC[C@H]4[C@H](CCN4C(=O)OC(C)(C)C)C3)C(=O)C2(C)C)cn1 ZINC000793720351 1078264561 /nfs/dbraw/zinc/26/45/61/1078264561.db2.gz HPTIVERCUYGZAW-NJAFHUGGSA-N 1 1 417.554 2.618 20 0 HFADMO Cn1cc([C@@H]2N(C[N@H+]3CC[C@H]4[C@H](CCN4C(=O)OC(C)(C)C)C3)C(=O)C2(C)C)cn1 ZINC000793720351 1078264564 /nfs/dbraw/zinc/26/45/64/1078264564.db2.gz HPTIVERCUYGZAW-NJAFHUGGSA-N 1 1 417.554 2.618 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000793692572 1078270052 /nfs/dbraw/zinc/27/00/52/1078270052.db2.gz ZWPTVXZYHJENSE-HXUWFJFHSA-N 1 1 423.557 2.941 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000793694507 1078271165 /nfs/dbraw/zinc/27/11/65/1078271165.db2.gz MDZDQAJCXMQZKJ-DENIHFKCSA-N 1 1 423.557 2.987 20 0 HFADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H](C)COc1ccccc1 ZINC000793700875 1078274153 /nfs/dbraw/zinc/27/41/53/1078274153.db2.gz MNQSNRKLPXKBMY-IRLDBZIGSA-N 1 1 423.557 2.941 20 0 HFADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H](C)COc1ccccc1 ZINC000793700876 1078274188 /nfs/dbraw/zinc/27/41/88/1078274188.db2.gz MNQSNRKLPXKBMY-RBBKRZOGSA-N 1 1 423.557 2.941 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H](C)COc2ccccc2)cc1F ZINC000793706183 1078276369 /nfs/dbraw/zinc/27/63/69/1078276369.db2.gz YKFLFIFKVCTWDQ-HNNXBMFYSA-N 1 1 410.449 2.520 20 0 HFADMO C[N@H+]1CCCC12CCN(C(=O)c1cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c1)CC2 ZINC000793762410 1078280559 /nfs/dbraw/zinc/28/05/59/1078280559.db2.gz LJVAYGNDTRXKSE-WOJBJXKFSA-N 1 1 422.529 2.665 20 0 HFADMO C[N@H+]1CC[C@]2(CCN(Cn3nc(N4CCCCC4)n(C[C@@H]4CCCO4)c3=S)C2)C1 ZINC000793747408 1078289405 /nfs/dbraw/zinc/28/94/05/1078289405.db2.gz QXIOVMWBTDZOSG-RXVVDRJESA-N 1 1 420.627 2.568 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000793800959 1078302603 /nfs/dbraw/zinc/30/26/03/1078302603.db2.gz JBLRDRAHKPYZHF-DNVCBOLYSA-N 1 1 421.476 2.736 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000793804468 1078303801 /nfs/dbraw/zinc/30/38/01/1078303801.db2.gz IGWJFETYFQEGEY-QRWLVFNGSA-N 1 1 421.476 2.941 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000793805131 1078304385 /nfs/dbraw/zinc/30/43/85/1078304385.db2.gz MOHDEYKLKFSBLZ-PXNSSMCTSA-N 1 1 421.476 2.784 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000793807436 1078305514 /nfs/dbraw/zinc/30/55/14/1078305514.db2.gz HJACFWVEFADITD-DEOSSOPVSA-N 1 1 417.513 2.772 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H]1c2ccccc2CC[C@H]1C ZINC000793806923 1078305789 /nfs/dbraw/zinc/30/57/89/1078305789.db2.gz VZZLGTYHEFIZCA-FOIQADDNSA-N 1 1 403.486 2.632 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793793437 1078298894 /nfs/dbraw/zinc/29/88/94/1078298894.db2.gz REKWOCGHOYNEPH-VWPQPMDRSA-N 1 1 423.557 2.905 20 0 HFADMO CSC[C@@H]1CCCN(CN2C(=O)N[C@@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000793797915 1078301156 /nfs/dbraw/zinc/30/11/56/1078301156.db2.gz RTXBNVMAPPQBCU-DENIHFKCSA-N 1 1 416.591 2.606 20 0 HFADMO Cc1cccc(OC[C@@H](C)NC(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000793797997 1078301254 /nfs/dbraw/zinc/30/12/54/1078301254.db2.gz HVUOENQAZIAPDE-CJFMBICVSA-N 1 1 423.557 2.907 20 0 HFADMO CCN(CCc1ccccn1)C(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000793838612 1078310820 /nfs/dbraw/zinc/31/08/20/1078310820.db2.gz APUVYTGDTZXFSF-OAQYLSRUSA-N 1 1 408.546 2.501 20 0 HFADMO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000793844470 1078312445 /nfs/dbraw/zinc/31/24/45/1078312445.db2.gz JZQZHMNHELPOQA-AEFFLSMTSA-N 1 1 414.575 2.561 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001170437857 1078319223 /nfs/dbraw/zinc/31/92/23/1078319223.db2.gz QKNSYPFGXFYJST-LVBDUCALSA-N 1 1 400.519 2.838 20 0 HFADMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000793832376 1078320675 /nfs/dbraw/zinc/32/06/75/1078320675.db2.gz ZHUWLRWVKIYDIO-AQNXPRMDSA-N 1 1 410.518 2.567 20 0 HFADMO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000793872148 1078329639 /nfs/dbraw/zinc/32/96/39/1078329639.db2.gz XRDMBJQYBXUVSP-JOCHJYFZSA-N 1 1 411.546 2.645 20 0 HFADMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(-c3ccccc3Br)n2C)[C@@H](C)C1 ZINC000793876582 1078331497 /nfs/dbraw/zinc/33/14/97/1078331497.db2.gz YCKLYINXMZLEEF-GJZGRUSLSA-N 1 1 420.351 2.982 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(-c3ccccc3Br)n2C)[C@@H](C)C1 ZINC000793876582 1078331501 /nfs/dbraw/zinc/33/15/01/1078331501.db2.gz YCKLYINXMZLEEF-GJZGRUSLSA-N 1 1 420.351 2.982 20 0 HFADMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000793901913 1078333055 /nfs/dbraw/zinc/33/30/55/1078333055.db2.gz OXTUSEIYXXBCRA-OALUTQOASA-N 1 1 414.594 2.695 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000793902263 1078333095 /nfs/dbraw/zinc/33/30/95/1078333095.db2.gz KCWMSKWARNZZLX-CVEARBPZSA-N 1 1 416.526 2.788 20 0 HFADMO COCN1C(=O)CCc2cc(NC(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)ccc21 ZINC000793909309 1078335085 /nfs/dbraw/zinc/33/50/85/1078335085.db2.gz AZNBSDRHMNQUTL-IBGZPJMESA-N 1 1 408.502 2.815 20 0 HFADMO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000793913354 1078336340 /nfs/dbraw/zinc/33/63/40/1078336340.db2.gz QTJZPPCZCMVRCM-QUCCMNQESA-N 1 1 403.567 2.504 20 0 HFADMO C[C@H]1CN(C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CC[N@@H+]1CCO ZINC000793886189 1078342791 /nfs/dbraw/zinc/34/27/91/1078342791.db2.gz RCHMHHSQDJDQNF-INIZCTEOSA-N 1 1 403.523 2.513 20 0 HFADMO C[C@H]1CN(C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CC[N@H+]1CCO ZINC000793886189 1078342794 /nfs/dbraw/zinc/34/27/94/1078342794.db2.gz RCHMHHSQDJDQNF-INIZCTEOSA-N 1 1 403.523 2.513 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000793886418 1078343003 /nfs/dbraw/zinc/34/30/03/1078343003.db2.gz VXDZZYCGQDNLGA-INIZCTEOSA-N 1 1 416.526 2.742 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000793889734 1078343211 /nfs/dbraw/zinc/34/32/11/1078343211.db2.gz IEUXHHOAPXXAFC-UHFFFAOYSA-N 1 1 416.526 2.742 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCc2cc(C)cc(Cl)n2)cc1F ZINC000793899137 1078343681 /nfs/dbraw/zinc/34/36/81/1078343681.db2.gz ASBNMXGAAYSDEW-UHFFFAOYSA-N 1 1 415.856 2.609 20 0 HFADMO CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000793899630 1078343727 /nfs/dbraw/zinc/34/37/27/1078343727.db2.gz BGYCTIQLMWZGDP-UEXGIBASSA-N 1 1 421.557 2.580 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1 ZINC001170441065 1078344622 /nfs/dbraw/zinc/34/46/22/1078344622.db2.gz FXBAQQNKUTZRBO-CGXNFDGLSA-N 1 1 414.546 2.847 20 0 HFADMO Cn1cc[nH+]c1N1CCC(NC(=O)c2cn(C(C)(C)C)nc2Br)CC1 ZINC000793946668 1078354609 /nfs/dbraw/zinc/35/46/09/1078354609.db2.gz LGCSMNWLNPYMBW-UHFFFAOYSA-N 1 1 409.332 2.533 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000793946745 1078355191 /nfs/dbraw/zinc/35/51/91/1078355191.db2.gz BVNKTITWSBZFDQ-HBFSDRIKSA-N 1 1 407.599 2.667 20 0 HFADMO Cn1cc[nH+]c1N1CCC(NC(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000793947926 1078355829 /nfs/dbraw/zinc/35/58/29/1078355829.db2.gz ZDPFEYQBFJEQQH-UHFFFAOYSA-N 1 1 419.570 2.932 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H]2COC[C@@H](CC(=O)NC3CCC3)[C@@H]2C1 ZINC001170442242 1078366217 /nfs/dbraw/zinc/36/62/17/1078366217.db2.gz KVJXJZCGLZYOLW-QCFAMHMHSA-N 1 1 414.546 2.990 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC001170442406 1078367906 /nfs/dbraw/zinc/36/79/06/1078367906.db2.gz MFVUBTQVYYMUAH-WZONZLPQSA-N 1 1 424.497 2.721 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)Nc2cc(C[NH+](C)C)ccc2OC)c(C)cc1F ZINC000794028660 1078369151 /nfs/dbraw/zinc/36/91/51/1078369151.db2.gz IZXCFTADSRKZNO-UHFFFAOYSA-N 1 1 410.467 2.792 20 0 HFADMO Cn1ccnc1[C@](O)(CC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)C(F)(F)F ZINC000794220551 1078385830 /nfs/dbraw/zinc/38/58/30/1078385830.db2.gz GKGVZBRBGYKBGH-MRXNPFEDSA-N 1 1 404.820 2.914 20 0 HFADMO C[C@H]1C[NH+](Cc2ccc(C(=O)N(CCO)Cc3cccnc3Cl)cc2)C[C@H](C)O1 ZINC000794320426 1078412951 /nfs/dbraw/zinc/41/29/51/1078412951.db2.gz HMGMMWDRNDUBSA-IRXDYDNUSA-N 1 1 417.937 2.979 20 0 HFADMO Cc1ccc(OCC(=O)OCC(=O)N2CC[NH+](Cc3ccccc3C)CC2)c(C)c1 ZINC000794353868 1078423046 /nfs/dbraw/zinc/42/30/46/1078423046.db2.gz OIJFRZFTMUHIHQ-UHFFFAOYSA-N 1 1 410.514 2.878 20 0 HFADMO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)C[C@@H](O)CCNC(=O)OC(C)(C)C)cn1 ZINC000794375741 1078430475 /nfs/dbraw/zinc/43/04/75/1078430475.db2.gz VQCNJDHNADCOQJ-OALUTQOASA-N 1 1 406.502 2.856 20 0 HFADMO Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)C[C@@H](O)CCNC(=O)OC(C)(C)C)cn1 ZINC000794375741 1078430478 /nfs/dbraw/zinc/43/04/78/1078430478.db2.gz VQCNJDHNADCOQJ-OALUTQOASA-N 1 1 406.502 2.856 20 0 HFADMO O=C(CNc1cc(NCC(=O)NC2CCCC2)c2ccncc2[nH+]1)NC1CCCC1 ZINC000804393506 1078450691 /nfs/dbraw/zinc/45/06/91/1078450691.db2.gz JXULZIQONFLUFW-UHFFFAOYSA-N 1 1 410.522 2.571 20 0 HFADMO C[C@]1(CNC(=O)C(=O)N[C@@H]2CCc3c2cccc3O)CC[N@@H+](Cc2ccccc2)C1 ZINC000804399811 1078463789 /nfs/dbraw/zinc/46/37/89/1078463789.db2.gz GUTJRURNDNXWLX-HYBUGGRVSA-N 1 1 407.514 2.524 20 0 HFADMO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000747204152 1078473831 /nfs/dbraw/zinc/47/38/31/1078473831.db2.gz LUIAACRAQJZMMM-ZWKOTPCHSA-N 1 1 415.563 2.766 20 0 HFADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCCC[C@@H]3COC(=O)N(C)C)cc2)C[C@@H](C)O1 ZINC000804658004 1078492190 /nfs/dbraw/zinc/49/21/90/1078492190.db2.gz MGQOEQGDLZYPKJ-DBXWQHBBSA-N 1 1 417.550 2.989 20 0 HFADMO Cc1[nH]c(=S)sc1CC(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804446954 1078514217 /nfs/dbraw/zinc/51/42/17/1078514217.db2.gz SHIKPBCNAARZMD-SFHVURJKSA-N 1 1 416.616 2.701 20 0 HFADMO O=C(Cn1nnnc1-c1ccsc1)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001129486346 1078506572 /nfs/dbraw/zinc/50/65/72/1078506572.db2.gz HSBRMFGMLBUXTA-GOSISDBHSA-N 1 1 410.547 2.820 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cn(-c2cccc(C)c2)nn1 ZINC001129812505 1078510491 /nfs/dbraw/zinc/51/04/91/1078510491.db2.gz CQPDJQYFJFABDH-NFBKMPQASA-N 1 1 419.529 2.843 20 0 HFADMO O=C(c1ccc(Cn2cccn2)o1)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804446407 1078511137 /nfs/dbraw/zinc/51/11/37/1078511137.db2.gz FXTNSLNPWOWXJH-NRFANRHFSA-N 1 1 419.529 2.557 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(C)nc2c1cnn2C ZINC001129813777 1078511764 /nfs/dbraw/zinc/51/17/64/1078511764.db2.gz UJBABHMJKDEVIB-WIYYLYMNSA-N 1 1 407.518 2.544 20 0 HFADMO COc1ccc(C(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)nc1Cl ZINC000804448612 1078516831 /nfs/dbraw/zinc/51/68/31/1078516831.db2.gz PIBXOVIPMHGIDD-GOSISDBHSA-N 1 1 414.937 2.776 20 0 HFADMO C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNc3nc(N4CCCC4)cc[nH+]3)c2)C1=O ZINC000804701377 1078543100 /nfs/dbraw/zinc/54/31/00/1078543100.db2.gz RPSOSNPZNDYAHH-QFIPXVFZSA-N 1 1 406.490 2.914 20 0 HFADMO C[C@]1(C2CC2)NC(=O)N(c2cccc(CNc3nc(N4CCCC4)cc[nH+]3)c2)C1=O ZINC000804701373 1078543161 /nfs/dbraw/zinc/54/31/61/1078543161.db2.gz RPSOSNPZNDYAHH-JOCHJYFZSA-N 1 1 406.490 2.914 20 0 HFADMO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(I)c1O ZINC000804525383 1078563390 /nfs/dbraw/zinc/56/33/90/1078563390.db2.gz ARKGGZUFDAZQCC-VXGBXAGGSA-N 1 1 400.260 2.696 20 0 HFADMO CC(C)n1ncc2cc(C=CC(=O)N3CC([N@@H+](C)Cc4ccccc4)C3)c(=O)[nH]c21 ZINC000804530326 1078567394 /nfs/dbraw/zinc/56/73/94/1078567394.db2.gz DBQQJLZHWSXMFD-MDZDMXLPSA-N 1 1 405.502 2.662 20 0 HFADMO CC1=C(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)[C@@H](C)n2ncnc2N1C ZINC000804533263 1078569755 /nfs/dbraw/zinc/56/97/55/1078569755.db2.gz AWRAQQXXDMQXIK-JPYJTQIMSA-N 1 1 406.534 2.688 20 0 HFADMO CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000804533666 1078571259 /nfs/dbraw/zinc/57/12/59/1078571259.db2.gz IOQJFNLYJZCOJA-AUSIDOKSSA-N 1 1 413.518 2.598 20 0 HFADMO COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC001129905747 1078577458 /nfs/dbraw/zinc/57/74/58/1078577458.db2.gz PGOXPCQAYWNXKY-HJPURHCSSA-N 1 1 417.550 2.914 20 0 HFADMO CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)NCCCC[N@@H+](C)C2CC2)cc1 ZINC001129627928 1078601154 /nfs/dbraw/zinc/60/11/54/1078601154.db2.gz AJCHRTQSEWBBFG-IBGZPJMESA-N 1 1 405.564 2.591 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000804776858 1078603135 /nfs/dbraw/zinc/60/31/35/1078603135.db2.gz INQHNCCMIDOGLU-RKCQOLGWSA-N 1 1 419.591 2.690 20 0 HFADMO COCC(C)(C)[NH+]1CCN(C(=O)[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC001129925439 1078616756 /nfs/dbraw/zinc/61/67/56/1078616756.db2.gz GDBWFEKFMLDYPN-HSZRJFAPSA-N 1 1 417.550 2.604 20 0 HFADMO COCC(C)(C)[NH+]1CCN(C(=O)c2c(C)nc3ccc(Br)cn32)CC1 ZINC001129926222 1078618949 /nfs/dbraw/zinc/61/89/49/1078618949.db2.gz QJSILXKDEXFXJM-UHFFFAOYSA-N 1 1 409.328 2.588 20 0 HFADMO C[NH+]1CCN(CC(=O)N[C@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)CC1 ZINC000804576910 1078632237 /nfs/dbraw/zinc/63/22/37/1078632237.db2.gz PSDXLIOASIPHSL-MRXNPFEDSA-N 1 1 403.741 2.943 20 0 HFADMO CCN1CC[NH+](CC(C)(C)NC(=O)c2cccc(OCC(=O)OC(C)(C)C)c2)CC1 ZINC001129964370 1078638052 /nfs/dbraw/zinc/63/80/52/1078638052.db2.gz IMXZLEJRRVUROQ-UHFFFAOYSA-N 1 1 419.566 2.553 20 0 HFADMO COC(=O)c1cc(C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)no1 ZINC001129694812 1078654243 /nfs/dbraw/zinc/65/42/43/1078654243.db2.gz ACRJGUFYVJLEPL-UHFFFAOYSA-N 1 1 422.279 2.618 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CC(=O)N(C(CC)CC)C1 ZINC001129967236 1078661174 /nfs/dbraw/zinc/66/11/74/1078661174.db2.gz LXXMYVIWFQKUIL-KCZVDYSFSA-N 1 1 415.578 2.677 20 0 HFADMO CCN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC1=O ZINC001129677166 1078665504 /nfs/dbraw/zinc/66/55/04/1078665504.db2.gz DZGZXZLSNRARGQ-ILWGZMRPSA-N 1 1 409.505 2.778 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000804828967 1078669712 /nfs/dbraw/zinc/66/97/12/1078669712.db2.gz GRUZGYXZEYFOQP-UHFFFAOYSA-N 1 1 422.573 2.802 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(c3ncnc4c(F)cccc43)C2)CC1 ZINC000804834186 1078675386 /nfs/dbraw/zinc/67/53/86/1078675386.db2.gz AJTXDUHVSXGIKL-OAHLLOKOSA-N 1 1 401.486 2.900 20 0 HFADMO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[C@@](C)(O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000804644607 1078697086 /nfs/dbraw/zinc/69/70/86/1078697086.db2.gz KTAVKLWLUWTCQM-RZTXVSJASA-N 1 1 423.557 2.570 20 0 HFADMO Cc1ccc(N(C)C(C)C)c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1 ZINC000804644398 1078697531 /nfs/dbraw/zinc/69/75/31/1078697531.db2.gz HYCCRYXRBCVPIE-YQQQUEKLSA-N 1 1 400.567 2.653 20 0 HFADMO COC(=O)N1CCC(CNC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000804894793 1078751496 /nfs/dbraw/zinc/75/14/96/1078751496.db2.gz RQUBKYJDDGBIKA-UHFFFAOYSA-N 1 1 402.539 2.601 20 0 HFADMO CCc1ccc([C@H](O)CNC(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000804952088 1078779827 /nfs/dbraw/zinc/77/98/27/1078779827.db2.gz IJPQWOLDEAHNQP-DNQXCXABSA-N 1 1 424.589 2.960 20 0 HFADMO CCc1ccc([C@H](O)CNC(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000804952088 1078779830 /nfs/dbraw/zinc/77/98/30/1078779830.db2.gz IJPQWOLDEAHNQP-DNQXCXABSA-N 1 1 424.589 2.960 20 0 HFADMO CCc1ccc([C@H](O)CNC(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000804952088 1078779833 /nfs/dbraw/zinc/77/98/33/1078779833.db2.gz IJPQWOLDEAHNQP-DNQXCXABSA-N 1 1 424.589 2.960 20 0 HFADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)C1 ZINC000804954633 1078796105 /nfs/dbraw/zinc/79/61/05/1078796105.db2.gz GAPWTHZAIPJLBA-QZWWFDLISA-N 1 1 420.520 2.986 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000804976614 1078811938 /nfs/dbraw/zinc/81/19/38/1078811938.db2.gz HTTQBLKDZAZAGE-ALKREAHSSA-N 1 1 413.440 2.959 20 0 HFADMO CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2nc(C)n(C)c2Br)C1 ZINC000804997515 1078846514 /nfs/dbraw/zinc/84/65/14/1078846514.db2.gz NPYHDARTUHBHJZ-ZDUSSCGKSA-N 1 1 421.405 2.670 20 0 HFADMO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000805119040 1078902282 /nfs/dbraw/zinc/90/22/82/1078902282.db2.gz HFJPTVCRRBZNRD-VQIMIIECSA-N 1 1 413.440 2.788 20 0 HFADMO COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)c1 ZINC000805121065 1078903178 /nfs/dbraw/zinc/90/31/78/1078903178.db2.gz KABOCAREMGBWLO-MRXNPFEDSA-N 1 1 414.886 2.847 20 0 HFADMO CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000805074723 1078906534 /nfs/dbraw/zinc/90/65/34/1078906534.db2.gz OIEOUVMXCSMGSF-NVXWUHKLSA-N 1 1 401.429 2.632 20 0 HFADMO COC1(CNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCC(c2ccccc2)CC1 ZINC000805074811 1078906649 /nfs/dbraw/zinc/90/66/49/1078906649.db2.gz QBBZJFKOIDQMKR-BTDURJGWSA-N 1 1 401.551 2.892 20 0 HFADMO O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747232022 1078949892 /nfs/dbraw/zinc/94/98/92/1078949892.db2.gz PTXRFFLQUYTDRD-FSSWDIPSSA-N 1 1 407.514 2.527 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(C(=O)NC[C@H]1CC[N@H+](C3CC3)C1)C2 ZINC000805182232 1078965662 /nfs/dbraw/zinc/96/56/62/1078965662.db2.gz WBLGAAWSPXEDLW-VGOFRKELSA-N 1 1 406.571 2.903 20 0 HFADMO CCc1ccc(N2CCN(C(=O)NC[C@H](C)CN3CC[NH+](C)CC3)CC2)cc1Cl ZINC000805181223 1078965685 /nfs/dbraw/zinc/96/56/85/1078965685.db2.gz SMNVYHWVHZVOEQ-SFHVURJKSA-N 1 1 422.017 2.618 20 0 HFADMO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000805196165 1078969935 /nfs/dbraw/zinc/96/99/35/1078969935.db2.gz OSQXNGZTPRXJFI-QFIPXVFZSA-N 1 1 414.937 2.864 20 0 HFADMO COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1 ZINC001130117660 1078987842 /nfs/dbraw/zinc/98/78/42/1078987842.db2.gz VDEPISFKAGDVOQ-NVXWUHKLSA-N 1 1 400.441 2.738 20 0 HFADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000747234283 1078989905 /nfs/dbraw/zinc/98/99/05/1078989905.db2.gz NZPLMMUTFDAMBX-HOTGVXAUSA-N 1 1 400.500 2.779 20 0 HFADMO C[C@H](C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001130138898 1079007771 /nfs/dbraw/zinc/00/77/71/1079007771.db2.gz INRNPDVNJIBWBW-MGPQQGTHSA-N 1 1 418.563 2.802 20 0 HFADMO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000805397742 1079039528 /nfs/dbraw/zinc/03/95/28/1079039528.db2.gz UORDOPSJLMHLKT-QFBILLFUSA-N 1 1 413.440 2.646 20 0 HFADMO CCc1ccc([C@@H](O)CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000805359002 1079045376 /nfs/dbraw/zinc/04/53/76/1079045376.db2.gz WDZVHJBRKFGMEK-GOTSBHOMSA-N 1 1 411.546 2.873 20 0 HFADMO CC[C@@H]1CN(C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)S1(=O)=O ZINC000805437013 1079063920 /nfs/dbraw/zinc/06/39/20/1079063920.db2.gz FTUGRGYREZRZFB-YFVAEKQCSA-N 1 1 407.580 2.506 20 0 HFADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2nc(-c3cccnc3Cl)ns2)cn1 ZINC001130206201 1079083889 /nfs/dbraw/zinc/08/38/89/1079083889.db2.gz JPRHULVDJHXMBT-OCCSQVGLSA-N 1 1 417.926 2.661 20 0 HFADMO O=C(NC[C@H]1CCC=CO1)C(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000805513592 1079113135 /nfs/dbraw/zinc/11/31/35/1079113135.db2.gz VHJVHOFYMAOAML-GOSISDBHSA-N 1 1 417.509 2.710 20 0 HFADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)CCCc2ccc(Br)s2)CC1 ZINC000805526764 1079119263 /nfs/dbraw/zinc/11/92/63/1079119263.db2.gz MNEKNGWHKSCABN-CYBMUJFWSA-N 1 1 417.369 2.929 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)ccc1F ZINC000747249969 1079146666 /nfs/dbraw/zinc/14/66/66/1079146666.db2.gz FKDOACRCPMGWSF-UHFFFAOYSA-N 1 1 412.527 2.889 20 0 HFADMO C[C@@H](CNC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259681 1079148961 /nfs/dbraw/zinc/14/89/61/1079148961.db2.gz JEYRMLJUYOALCT-SOUVJXGZSA-N 1 1 417.531 2.695 20 0 HFADMO C[C@@H](CNC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259681 1079148969 /nfs/dbraw/zinc/14/89/69/1079148969.db2.gz JEYRMLJUYOALCT-SOUVJXGZSA-N 1 1 417.531 2.695 20 0 HFADMO CCc1c(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1-c1ccc(OC)cc1 ZINC001130260032 1079150351 /nfs/dbraw/zinc/15/03/51/1079150351.db2.gz SBQWGQRRSNDBSW-ZACQAIPSSA-N 1 1 400.523 2.671 20 0 HFADMO CCc1c(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1-c1ccc(OC)cc1 ZINC001130260032 1079150356 /nfs/dbraw/zinc/15/03/56/1079150356.db2.gz SBQWGQRRSNDBSW-ZACQAIPSSA-N 1 1 400.523 2.671 20 0 HFADMO COc1ccc([C@H]2CCCN2C(=O)COC(=O)C(C)(C)[NH+]2CCCC2)c(OC)c1 ZINC000805611667 1079174590 /nfs/dbraw/zinc/17/45/90/1079174590.db2.gz YIWRRUWBORBBHW-GOSISDBHSA-N 1 1 404.507 2.785 20 0 HFADMO C[NH+]1CCN([C@@H](CNS(=O)(=O)/C=C\c2ccc(F)cc2)c2cccs2)CC1 ZINC000747256789 1079189058 /nfs/dbraw/zinc/18/90/58/1079189058.db2.gz NFJXPJZMCMXLHI-PIJNTSGSSA-N 1 1 409.552 2.766 20 0 HFADMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(-n3ccnc3)cc2)C1 ZINC000805637600 1079190207 /nfs/dbraw/zinc/19/02/07/1079190207.db2.gz VNBVLQDJTWCPSO-SFHVURJKSA-N 1 1 411.550 2.505 20 0 HFADMO CSCC[C@H](C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)N1C(=O)c2ccccc2C1=O ZINC001130301506 1079193771 /nfs/dbraw/zinc/19/37/71/1079193771.db2.gz POYXBPAJVWOLIC-IPMKNSEASA-N 1 1 415.559 2.537 20 0 HFADMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC001130302219 1079194296 /nfs/dbraw/zinc/19/42/96/1079194296.db2.gz YFJIGPRLFHXZRR-VQTJNVASSA-N 1 1 405.489 2.950 20 0 HFADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)COC(=O)c2ccc3oc(=O)[nH]c3c2)CC1 ZINC000805654689 1079205574 /nfs/dbraw/zinc/20/55/74/1079205574.db2.gz ZDDFHAUEJSTTTR-UHFFFAOYSA-N 1 1 423.469 2.733 20 0 HFADMO CCC[N@@H+](Cc1ccccc1)Cc1ccc(NC(=O)CN2CCC(=O)NC2=O)cc1 ZINC001130314735 1079209155 /nfs/dbraw/zinc/20/91/55/1079209155.db2.gz OMENKMHHIVPYDC-UHFFFAOYSA-N 1 1 408.502 2.979 20 0 HFADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCc1c(C)cccc1C ZINC000805675125 1079214415 /nfs/dbraw/zinc/21/44/15/1079214415.db2.gz JDGZEWZFLIYNFO-OAQYLSRUSA-N 1 1 408.546 2.828 20 0 HFADMO C[C@@H](CO)[N@@H+](CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1)C1CCCC1 ZINC000805752149 1079231078 /nfs/dbraw/zinc/23/10/78/1079231078.db2.gz ZLQKBIVYCNJBMA-KRWDZBQOSA-N 1 1 413.518 2.798 20 0 HFADMO Cn1ncc2c1nc(C[N@@H+](CCCNC(=O)OC(C)(C)C)CC1CCCC1)[nH]c2=O ZINC000805779032 1079249644 /nfs/dbraw/zinc/24/96/44/1079249644.db2.gz OLGPJSCTRZYPCU-UHFFFAOYSA-N 1 1 418.542 2.976 20 0 HFADMO CC(C)(C)OC(=O)NCCC[N@@H+](CC1CCCC1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000805779432 1079249790 /nfs/dbraw/zinc/24/97/90/1079249790.db2.gz WVMQPZAWDMKIBW-SFHVURJKSA-N 1 1 417.616 2.675 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)cc1Cl ZINC000747269018 1079250408 /nfs/dbraw/zinc/25/04/08/1079250408.db2.gz YXYLTDRJVIUKOC-LLVKDONJSA-N 1 1 407.319 2.637 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)cc1Cl ZINC000747269018 1079250411 /nfs/dbraw/zinc/25/04/11/1079250411.db2.gz YXYLTDRJVIUKOC-LLVKDONJSA-N 1 1 407.319 2.637 20 0 HFADMO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000805762725 1079263145 /nfs/dbraw/zinc/26/31/45/1079263145.db2.gz SQPJPHBUHYBKFB-HZPDHXFCSA-N 1 1 411.493 2.955 20 0 HFADMO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000805762725 1079263153 /nfs/dbraw/zinc/26/31/53/1079263153.db2.gz SQPJPHBUHYBKFB-HZPDHXFCSA-N 1 1 411.493 2.955 20 0 HFADMO Cc1ccccc1C[NH+]1CCN(C(=O)CN(C)CC(F)(F)Br)CC1 ZINC000805833869 1079274357 /nfs/dbraw/zinc/27/43/57/1079274357.db2.gz BMWOGBJUUAUBCZ-UHFFFAOYSA-N 1 1 404.299 2.559 20 0 HFADMO COC[C@@]1(C)CC[N@@H+](C[C@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)C1 ZINC001170488896 1079274437 /nfs/dbraw/zinc/27/44/37/1079274437.db2.gz BJNSJFXPHFWOKB-HKUYNNGSSA-N 1 1 400.441 2.525 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000805765670 1079266011 /nfs/dbraw/zinc/26/60/11/1079266011.db2.gz OBYXJONASRLXGY-IPMKNSEASA-N 1 1 409.571 2.926 20 0 HFADMO C[C@@H]1[C@@H](C)[N@H+](C)C[C@H](C)N1C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC001130368842 1079266525 /nfs/dbraw/zinc/26/65/25/1079266525.db2.gz BJFUWNQLUJMYOF-RCCFBDPRSA-N 1 1 407.580 2.804 20 0 HFADMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC(=O)NCCc1cccc2cccnc21 ZINC000805801853 1079280884 /nfs/dbraw/zinc/28/08/84/1079280884.db2.gz QSFJNYUYJVXULE-LPHOPBHVSA-N 1 1 412.534 2.881 20 0 HFADMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC(=O)NCCc1cccc2cccnc21 ZINC000805801853 1079280890 /nfs/dbraw/zinc/28/08/90/1079280890.db2.gz QSFJNYUYJVXULE-LPHOPBHVSA-N 1 1 412.534 2.881 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000747268159 1079295094 /nfs/dbraw/zinc/29/50/94/1079295094.db2.gz ARODJKWBWNLJBI-RDPWEWGOSA-N 1 1 414.527 2.816 20 0 HFADMO Cc1cc(=O)n2nc(C[N@@H+]3CCCC[C@H]3COC(=O)NC3CCCCC3)sc2n1 ZINC000805827435 1079297648 /nfs/dbraw/zinc/29/76/48/1079297648.db2.gz SHHVYOSDFCPDLX-INIZCTEOSA-N 1 1 419.551 2.873 20 0 HFADMO Cc1cc(=O)n2nc(C[N@H+]3CCCC[C@H]3COC(=O)NC3CCCCC3)sc2n1 ZINC000805827435 1079297653 /nfs/dbraw/zinc/29/76/53/1079297653.db2.gz SHHVYOSDFCPDLX-INIZCTEOSA-N 1 1 419.551 2.873 20 0 HFADMO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000805828843 1079298813 /nfs/dbraw/zinc/29/88/13/1079298813.db2.gz RSJRLVKRDAQKSI-HIFRSBDPSA-N 1 1 417.428 2.973 20 0 HFADMO CNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000805828843 1079298816 /nfs/dbraw/zinc/29/88/16/1079298816.db2.gz RSJRLVKRDAQKSI-HIFRSBDPSA-N 1 1 417.428 2.973 20 0 HFADMO COC(=O)N1CCC(CNC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000805830584 1079299507 /nfs/dbraw/zinc/29/95/07/1079299507.db2.gz KWWFITJTTGIAAQ-HSZRJFAPSA-N 1 1 414.550 2.772 20 0 HFADMO CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@H](Cc2cccc(I)c2)C1 ZINC001170491101 1079306391 /nfs/dbraw/zinc/30/63/91/1079306391.db2.gz SCQJKHZUQIMGIQ-SJLPKXTDSA-N 1 1 416.347 2.857 20 0 HFADMO CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@H](Cc2cccc(I)c2)C1 ZINC001170491101 1079306398 /nfs/dbraw/zinc/30/63/98/1079306398.db2.gz SCQJKHZUQIMGIQ-SJLPKXTDSA-N 1 1 416.347 2.857 20 0 HFADMO CC(C)N(C)C[C@@H](O)C[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001170491101 1079306404 /nfs/dbraw/zinc/30/64/04/1079306404.db2.gz SCQJKHZUQIMGIQ-SJLPKXTDSA-N 1 1 416.347 2.857 20 0 HFADMO CC(C)N(C)C[C@@H](O)C[N@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001170491101 1079306408 /nfs/dbraw/zinc/30/64/08/1079306408.db2.gz SCQJKHZUQIMGIQ-SJLPKXTDSA-N 1 1 416.347 2.857 20 0 HFADMO COC(=O)c1sc(I)cc1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001130399947 1079322513 /nfs/dbraw/zinc/32/25/13/1079322513.db2.gz OBZDRSBGHWHAOG-SNVBAGLBSA-N 1 1 422.288 2.951 20 0 HFADMO COC(=O)c1sc(I)cc1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001130399947 1079322518 /nfs/dbraw/zinc/32/25/18/1079322518.db2.gz OBZDRSBGHWHAOG-SNVBAGLBSA-N 1 1 422.288 2.951 20 0 HFADMO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)CCC2 ZINC000805940545 1079343764 /nfs/dbraw/zinc/34/37/64/1079343764.db2.gz STGMLMGMVQUMJH-YLJYHZDGSA-N 1 1 411.550 2.594 20 0 HFADMO COC(=O)[C@]1(NC(=O)C[C@@H]2OCc3ccccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC001130448182 1079349249 /nfs/dbraw/zinc/34/92/49/1079349249.db2.gz LPWQGRKCQSIMPU-URXFXBBRSA-N 1 1 408.498 2.972 20 0 HFADMO CCO[C@@H](C(=O)N[C@@]1(C(=O)OC)CCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001130448372 1079349701 /nfs/dbraw/zinc/34/97/01/1079349701.db2.gz RSYKDVYVGHJWDT-OFNKIYASSA-N 1 1 402.535 2.906 20 0 HFADMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cn1c2ccccc2n(C)c1=O ZINC001130455004 1079378940 /nfs/dbraw/zinc/37/89/40/1079378940.db2.gz RYHXUFJTEIWLKB-IPMKNSEASA-N 1 1 406.530 2.850 20 0 HFADMO C[C@H](CNC(=O)[C@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130472389 1079398830 /nfs/dbraw/zinc/39/88/30/1079398830.db2.gz PGPJQKXPSIWNBJ-GKICUZSHSA-N 1 1 409.571 2.638 20 0 HFADMO C[C@H](CNC(=O)[C@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130472389 1079398837 /nfs/dbraw/zinc/39/88/37/1079398837.db2.gz PGPJQKXPSIWNBJ-GKICUZSHSA-N 1 1 409.571 2.638 20 0 HFADMO O=C(NC[C@H](O)COc1cccc(F)c1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000747297225 1079404310 /nfs/dbraw/zinc/40/43/10/1079404310.db2.gz RCVVEXJFDFDVLL-SFHVURJKSA-N 1 1 419.522 2.936 20 0 HFADMO CCNC(=O)Oc1cccc(OC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC001130489315 1079413107 /nfs/dbraw/zinc/41/31/07/1079413107.db2.gz CLVQBIVUANMDNK-PMACEKPBSA-N 1 1 414.506 2.948 20 0 HFADMO CCc1nc([C@H](C)NC(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000806110579 1079440540 /nfs/dbraw/zinc/44/05/40/1079440540.db2.gz ICABEXBQJNJCCC-KSFYIVLOSA-N 1 1 414.575 2.911 20 0 HFADMO C[C@H](Sc1ncccc1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N1CCCC1 ZINC001130518242 1079449454 /nfs/dbraw/zinc/44/94/54/1079449454.db2.gz ISJUOQDEHSZFOW-YTQUADARSA-N 1 1 416.591 2.931 20 0 HFADMO C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CCOCC1 ZINC001130518915 1079450261 /nfs/dbraw/zinc/45/02/61/1079450261.db2.gz QUXKGSZDGKDRNA-BZSNNMDCSA-N 1 1 409.571 2.830 20 0 HFADMO COc1ccc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1S(=O)(=O)NC(C)(C)C ZINC001130519868 1079451538 /nfs/dbraw/zinc/45/15/38/1079451538.db2.gz YLAMMFPOTUSLGT-IRXDYDNUSA-N 1 1 423.579 2.519 20 0 HFADMO Cn1nc(C(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)cc1C(F)(F)F ZINC001130527856 1079464525 /nfs/dbraw/zinc/46/45/25/1079464525.db2.gz IZTLZSLYGSRCGQ-IAGOWNOFSA-N 1 1 408.424 2.554 20 0 HFADMO C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000746676201 1076750433 /nfs/dbraw/zinc/75/04/33/1076750433.db2.gz IEOYNXSHOABBAV-HKUYNNGSSA-N 1 1 412.534 2.616 20 0 HFADMO CC(C)[N@H+]1CCCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 ZINC000787308653 1076755382 /nfs/dbraw/zinc/75/53/82/1076755382.db2.gz FPNVPVCUIDUCGJ-INIZCTEOSA-N 1 1 405.543 2.690 20 0 HFADMO CC(C)[N@@H+]1CCCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC1 ZINC000787308653 1076755395 /nfs/dbraw/zinc/75/53/95/1076755395.db2.gz FPNVPVCUIDUCGJ-INIZCTEOSA-N 1 1 405.543 2.690 20 0 HFADMO CC(C)[N@H+]1CCCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC1 ZINC000787308653 1076755404 /nfs/dbraw/zinc/75/54/04/1076755404.db2.gz FPNVPVCUIDUCGJ-INIZCTEOSA-N 1 1 405.543 2.690 20 0 HFADMO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000787323196 1076766795 /nfs/dbraw/zinc/76/67/95/1076766795.db2.gz ARYNJTNROFFFOW-YQVWRLOYSA-N 1 1 424.586 2.527 20 0 HFADMO C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001170072350 1076773061 /nfs/dbraw/zinc/77/30/61/1076773061.db2.gz KDNAIAPDZVIXEA-IRXDYDNUSA-N 1 1 405.502 2.587 20 0 HFADMO COc1cc(Br)ccc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1C(N)=O ZINC000787344829 1076787590 /nfs/dbraw/zinc/78/75/90/1076787590.db2.gz LTOQLDQLXYYIDQ-LLVKDONJSA-N 1 1 406.280 2.846 20 0 HFADMO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787393007 1076806070 /nfs/dbraw/zinc/80/60/70/1076806070.db2.gz FSKHECOXIGVGPI-HZPDHXFCSA-N 1 1 405.543 2.690 20 0 HFADMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc([C@@H]4CCN(C(=O)OC(C)(C)C)C4)[nH]n3)CC[C@@H]21 ZINC000787447616 1076815195 /nfs/dbraw/zinc/81/51/95/1076815195.db2.gz WPCPJAITYDXUPB-MDZRGWNJSA-N 1 1 417.554 2.690 20 0 HFADMO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([C@@H]4CCN(C(=O)OC(C)(C)C)C4)n[nH]3)CC[C@@H]21 ZINC000787447616 1076815202 /nfs/dbraw/zinc/81/52/02/1076815202.db2.gz WPCPJAITYDXUPB-MDZRGWNJSA-N 1 1 417.554 2.690 20 0 HFADMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc([C@@H]4CCN(C(=O)OC(C)(C)C)C4)n[nH]3)CC[C@@H]21 ZINC000787447616 1076815207 /nfs/dbraw/zinc/81/52/07/1076815207.db2.gz WPCPJAITYDXUPB-MDZRGWNJSA-N 1 1 417.554 2.690 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(C)[C@@H]2CCCc3ccccc32)cn1 ZINC000787464378 1076821468 /nfs/dbraw/zinc/82/14/68/1076821468.db2.gz YJWBUWRNGRFBLY-HXUWFJFHSA-N 1 1 403.486 2.728 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCCC[C@H]2Cc2ccccc2)cn1 ZINC000787489708 1076823736 /nfs/dbraw/zinc/82/37/36/1076823736.db2.gz MOCARDSSEBGGAF-NRFANRHFSA-N 1 1 417.513 2.816 20 0 HFADMO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000746687564 1076833008 /nfs/dbraw/zinc/83/30/08/1076833008.db2.gz HUYKJLFOGMSZFN-GASCZTMLSA-N 1 1 402.564 2.558 20 0 HFADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000746687564 1076833015 /nfs/dbraw/zinc/83/30/15/1076833015.db2.gz HUYKJLFOGMSZFN-GASCZTMLSA-N 1 1 402.564 2.558 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(C)[C@H](C)c2c(F)cccc2F)cn1 ZINC000787481412 1076840270 /nfs/dbraw/zinc/84/02/70/1076840270.db2.gz MQVBZJRORVCIRI-CYBMUJFWSA-N 1 1 413.428 2.690 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(F)cc2Cl)cn1 ZINC000787487097 1076843704 /nfs/dbraw/zinc/84/37/04/1076843704.db2.gz SQQIKMDCHSCFOR-UHFFFAOYSA-N 1 1 415.856 2.643 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)cn1 ZINC000787486838 1076844176 /nfs/dbraw/zinc/84/41/76/1076844176.db2.gz SOBGLUWGUMAOLB-UZLBHIALSA-N 1 1 403.486 2.597 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)c2ccc(I)cc2)CC1 ZINC000787578851 1076870588 /nfs/dbraw/zinc/87/05/88/1076870588.db2.gz MKVOXHBEOPTUKH-UHFFFAOYSA-N 1 1 416.303 2.864 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cccc(SC(F)F)c1 ZINC000787606168 1076875719 /nfs/dbraw/zinc/87/57/19/1076875719.db2.gz DBTSVYHVRKJRTF-CYBMUJFWSA-N 1 1 413.490 2.652 20 0 HFADMO C[C@H](NC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1)c1nc2ccccc2s1 ZINC000787621753 1076881880 /nfs/dbraw/zinc/88/18/80/1076881880.db2.gz HVYGFONULYTRQJ-HNNXBMFYSA-N 1 1 408.527 2.648 20 0 HFADMO C[C@H](NC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1)c1nc2ccccc2s1 ZINC000787621753 1076881886 /nfs/dbraw/zinc/88/18/86/1076881886.db2.gz HVYGFONULYTRQJ-HNNXBMFYSA-N 1 1 408.527 2.648 20 0 HFADMO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000787669664 1076905751 /nfs/dbraw/zinc/90/57/51/1076905751.db2.gz KLPSLSOQJSPXDE-OAQYLSRUSA-N 1 1 403.567 2.648 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC000787681480 1076909507 /nfs/dbraw/zinc/90/95/07/1076909507.db2.gz CSIKPWMHXYXBBJ-IPEVAPCJSA-N 1 1 423.513 2.762 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC000787682992 1076910016 /nfs/dbraw/zinc/91/00/16/1076910016.db2.gz FOYIKSRWGSTEGI-CQSZACIVSA-N 1 1 404.511 2.625 20 0 HFADMO COc1ccccc1N1CC[NH+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1 ZINC000787688099 1076912169 /nfs/dbraw/zinc/91/21/69/1076912169.db2.gz NKJHDBBSTMKDQS-UGKGYDQZSA-N 1 1 405.539 2.578 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([NH+]2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000787711921 1076922893 /nfs/dbraw/zinc/92/28/93/1076922893.db2.gz PZTYOPHODRDLNH-JXFKEZNVSA-N 1 1 410.946 2.617 20 0 HFADMO CCc1ccc(N2CCN(C(=O)C(=O)NCCCC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000787904197 1076988595 /nfs/dbraw/zinc/98/85/95/1076988595.db2.gz PSBXNOZHDBZVTD-HXUWFJFHSA-N 1 1 414.594 2.668 20 0 HFADMO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)CCC2 ZINC000787916668 1076994277 /nfs/dbraw/zinc/99/42/77/1076994277.db2.gz YIRGTSUOOCGTJR-DAYGRLMNSA-N 1 1 406.596 2.819 20 0 HFADMO C[C@@H](Cc1ccco1)NC(=O)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000787960318 1077009373 /nfs/dbraw/zinc/00/93/73/1077009373.db2.gz HTTQJIGQQYNSBQ-IBGZPJMESA-N 1 1 409.530 2.842 20 0 HFADMO C[C@H](Cc1ccccc1F)NC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000787975335 1077015025 /nfs/dbraw/zinc/01/50/25/1077015025.db2.gz PEDILXADKRBWLH-KOSHJBKYSA-N 1 1 411.521 2.901 20 0 HFADMO CC(C)(C)OC(=O)NC1(CO)CC[NH+](CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000788002573 1077024564 /nfs/dbraw/zinc/02/45/64/1077024564.db2.gz FDBOXNUCDZMIBX-UHFFFAOYSA-N 1 1 417.550 2.529 20 0 HFADMO COc1ccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cc1NC(=O)OC(C)(C)C ZINC000788036549 1077035844 /nfs/dbraw/zinc/03/58/44/1077035844.db2.gz JWUXEVHLKIUTGN-HUUCEWRRSA-N 1 1 422.526 2.961 20 0 HFADMO CN1CCN(CCC[N@H+](C)CC2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000788020431 1077048152 /nfs/dbraw/zinc/04/81/52/1077048152.db2.gz GAHQTURZLVSWNW-UHFFFAOYSA-N 1 1 402.583 2.605 20 0 HFADMO CN1CCN(CCC[N@@H+](C)CC2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000788020431 1077048156 /nfs/dbraw/zinc/04/81/56/1077048156.db2.gz GAHQTURZLVSWNW-UHFFFAOYSA-N 1 1 402.583 2.605 20 0 HFADMO CCC(CC)[C@@H](CNC(=O)c1cnc(Br)c(OC)c1)[NH+]1CCOCC1 ZINC000788157042 1077071284 /nfs/dbraw/zinc/07/12/84/1077071284.db2.gz XYSAPZAMLQTVKQ-OAHLLOKOSA-N 1 1 414.344 2.720 20 0 HFADMO COc1cc(C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnc1Br ZINC000788171376 1077074392 /nfs/dbraw/zinc/07/43/92/1077074392.db2.gz FLZLWYNJHZWTEI-GUTXKFCHSA-N 1 1 412.328 2.567 20 0 HFADMO COc1cc(C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnc1Br ZINC000788171376 1077074398 /nfs/dbraw/zinc/07/43/98/1077074398.db2.gz FLZLWYNJHZWTEI-GUTXKFCHSA-N 1 1 412.328 2.567 20 0 HFADMO Cn1nnnc1C[N@@H+]1CCCC[C@H]1[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000788274577 1077095201 /nfs/dbraw/zinc/09/52/01/1077095201.db2.gz JGJLAWNLHZQRMJ-MOPGFXCFSA-N 1 1 414.554 2.948 20 0 HFADMO Cn1nnnc1C[N@H+]1CCCC[C@H]1[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000788274577 1077095205 /nfs/dbraw/zinc/09/52/05/1077095205.db2.gz JGJLAWNLHZQRMJ-MOPGFXCFSA-N 1 1 414.554 2.948 20 0 HFADMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cc(Br)ncc1Cl ZINC000788310171 1077115796 /nfs/dbraw/zinc/11/57/96/1077115796.db2.gz VLDLWGVWGSWXCV-CQSZACIVSA-N 1 1 424.726 2.994 20 0 HFADMO CCCN(Cn1nc(-c2cnn(C)c2)ccc1=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000788367963 1077128806 /nfs/dbraw/zinc/12/88/06/1077128806.db2.gz LQEIHLTYMBETEJ-JOCHJYFZSA-N 1 1 420.561 2.978 20 0 HFADMO Cn1cc(-c2ccc(=O)n(CN3CC[C@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)n2)cn1 ZINC000788372873 1077131733 /nfs/dbraw/zinc/13/17/33/1077131733.db2.gz GQMALJSXMUCTDF-OFNKIYASSA-N 1 1 418.545 2.588 20 0 HFADMO Cn1cc(-c2ccc(=O)n(CN3CC[C@@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)n2)cn1 ZINC000788372871 1077131751 /nfs/dbraw/zinc/13/17/51/1077131751.db2.gz GQMALJSXMUCTDF-NFBKMPQASA-N 1 1 418.545 2.588 20 0 HFADMO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cn2nc(-c3cnn(C)c3)ccc2=O)CC1 ZINC000788374172 1077132610 /nfs/dbraw/zinc/13/26/10/1077132610.db2.gz OWKMCYAYCCQTCI-INIZCTEOSA-N 1 1 412.925 2.634 20 0 HFADMO Cc1nc(-c2ccc(Br)cc2Cl)nn1C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000788380566 1077136056 /nfs/dbraw/zinc/13/60/56/1077136056.db2.gz CPHPMERJXPBQIW-KRWDZBQOSA-N 1 1 424.730 2.839 20 0 HFADMO O=C1C[C@H](Cc2ccccc2)C(=O)N1CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788381577 1077136401 /nfs/dbraw/zinc/13/64/01/1077136401.db2.gz FPVGNYSHHORYLD-FQEVSTJZSA-N 1 1 406.530 2.974 20 0 HFADMO COc1cc(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)cnc1Br ZINC000788450096 1077163163 /nfs/dbraw/zinc/16/31/63/1077163163.db2.gz MYNRCLBYUNOFSY-UHFFFAOYSA-N 1 1 407.268 2.605 20 0 HFADMO CC(C)(C)OC(=O)NC(C)(C)c1noc(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)n1 ZINC000788469963 1077169937 /nfs/dbraw/zinc/16/99/37/1077169937.db2.gz STJXZMWAQCGURT-CVEARBPZSA-N 1 1 423.558 2.562 20 0 HFADMO O[C@@H](c1ncc[nH]1)C1CC[NH+](Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000788472339 1077170653 /nfs/dbraw/zinc/17/06/53/1077170653.db2.gz BSNQGSBQOSLVNU-QGZVFWFLSA-N 1 1 408.296 2.889 20 0 HFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000788476482 1077172550 /nfs/dbraw/zinc/17/25/50/1077172550.db2.gz QBTABQNWFIHBRS-RBUKOAKNSA-N 1 1 410.603 2.556 20 0 HFADMO CCOC(=O)[C@@H]1[C@H](NC[C@H](c2ccccc2)[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000788504435 1077185307 /nfs/dbraw/zinc/18/53/07/1077185307.db2.gz QFPJKMMBOUBJIN-QRVBRYPASA-N 1 1 405.539 2.820 20 0 HFADMO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCSC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000788525159 1077191221 /nfs/dbraw/zinc/19/12/21/1077191221.db2.gz BVVOOTGQWBQABZ-ZBFHGGJFSA-N 1 1 417.497 2.867 20 0 HFADMO CC[N@@H+](CCNC(=O)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(C)C ZINC000788483985 1077191933 /nfs/dbraw/zinc/19/19/33/1077191933.db2.gz GPXPZMAKONSJNY-RYUDHWBXSA-N 1 1 419.410 2.859 20 0 HFADMO C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCCSC(F)(F)F)[C@H]1c1cccs1 ZINC000788543365 1077195364 /nfs/dbraw/zinc/19/53/64/1077195364.db2.gz UTOJPGWGLIIDEY-YPMHNXCESA-N 1 1 409.499 2.616 20 0 HFADMO CC[C@@H](CNS(=O)(=O)CCc1ccc(OC)cc1)[N@H+]1CCc2ccccc2C1 ZINC000788595306 1077216434 /nfs/dbraw/zinc/21/64/34/1077216434.db2.gz BTHCXAXBZJCHSY-NRFANRHFSA-N 1 1 402.560 2.994 20 0 HFADMO COc1ccc(CCS(=O)(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1 ZINC000788598757 1077219001 /nfs/dbraw/zinc/21/90/01/1077219001.db2.gz KTJHRVCJQXXTOL-UHFFFAOYSA-N 1 1 403.479 2.991 20 0 HFADMO COC(=O)c1sc(S(=O)(=O)NCC[N@H+](C)Cc2ccccc2)c(C)c1Cl ZINC000788599896 1077219171 /nfs/dbraw/zinc/21/91/71/1077219171.db2.gz DQQDIAKVBXVPOC-UHFFFAOYSA-N 1 1 416.952 2.907 20 0 HFADMO COC(=O)c1sc(S(=O)(=O)NCC[N@@H+](C)Cc2ccccc2)c(C)c1Cl ZINC000788599896 1077219178 /nfs/dbraw/zinc/21/91/78/1077219178.db2.gz DQQDIAKVBXVPOC-UHFFFAOYSA-N 1 1 416.952 2.907 20 0 HFADMO COC(=O)c1sc(S(=O)(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c(C)c1Cl ZINC000788606335 1077221377 /nfs/dbraw/zinc/22/13/77/1077221377.db2.gz FWGQFOQZMMLHTH-NSHDSACASA-N 1 1 408.973 2.895 20 0 HFADMO COC(=O)c1sc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(C)c1Cl ZINC000788653188 1077227163 /nfs/dbraw/zinc/22/71/63/1077227163.db2.gz QHEGBIXOPHOVIF-VXGBXAGGSA-N 1 1 406.957 2.601 20 0 HFADMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)C[C@@H]1C ZINC000788635435 1077240908 /nfs/dbraw/zinc/24/09/08/1077240908.db2.gz YJAIYKAHGLQWID-CMPLNLGQSA-N 1 1 408.973 2.990 20 0 HFADMO COC(=O)c1sc(S(=O)(=O)NCCNc2cccc(C)[nH+]2)c(C)c1Cl ZINC000788641239 1077243536 /nfs/dbraw/zinc/24/35/36/1077243536.db2.gz OUIDVQGTTPHFAH-UHFFFAOYSA-N 1 1 403.913 2.590 20 0 HFADMO COC(=O)c1sc(S(=O)(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c(C)c1Cl ZINC000788677681 1077247332 /nfs/dbraw/zinc/24/73/32/1077247332.db2.gz VYUCHYFMQROOFI-MNOVXSKESA-N 1 1 408.973 2.895 20 0 HFADMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)C[C@H]1C ZINC000790946885 1077251704 /nfs/dbraw/zinc/25/17/04/1077251704.db2.gz SPFMWGLJFJBLFO-DCXXXQMHSA-N 1 1 416.566 2.570 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000790973016 1077267953 /nfs/dbraw/zinc/26/79/53/1077267953.db2.gz DNGFJYNSHDNWIW-QGZVFWFLSA-N 1 1 403.914 2.701 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000790975598 1077268230 /nfs/dbraw/zinc/26/82/30/1077268230.db2.gz RGRWNZVOYMUDEF-KRWDZBQOSA-N 1 1 408.493 2.740 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](C[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)C1 ZINC001170147613 1077276255 /nfs/dbraw/zinc/27/62/55/1077276255.db2.gz ADGKQLZZUHWRIC-ACJLOTCBSA-N 1 1 422.444 2.582 20 0 HFADMO COc1ccc(C2N=NC(=S)N2CCC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000791058647 1077285392 /nfs/dbraw/zinc/28/53/92/1077285392.db2.gz CPSIGWHIIULDAS-QGZVFWFLSA-N 1 1 417.579 2.869 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000791058733 1077285427 /nfs/dbraw/zinc/28/54/27/1077285427.db2.gz FIFQIAXBGRETMV-QAPCUYQASA-N 1 1 419.570 2.984 20 0 HFADMO CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000788795358 1077289969 /nfs/dbraw/zinc/28/99/69/1077289969.db2.gz LKDZILRPTNLXIL-QGZVFWFLSA-N 1 1 405.564 2.692 20 0 HFADMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](CN3C(=O)C[C@H](Cc4ccccc4)C3=O)C2)n1 ZINC000788773986 1077297040 /nfs/dbraw/zinc/29/70/40/1077297040.db2.gz ZSKYLGGVYSMASF-PMACEKPBSA-N 1 1 420.513 2.616 20 0 HFADMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](CN3C(=O)C[C@H](Cc4ccccc4)C3=O)C2)n1 ZINC000788773986 1077297045 /nfs/dbraw/zinc/29/70/45/1077297045.db2.gz ZSKYLGGVYSMASF-PMACEKPBSA-N 1 1 420.513 2.616 20 0 HFADMO C[C@@H]1CCCN(C(=O)C2CC[NH+](CN3C(=O)C[C@H](Cc4ccccc4)C3=O)CC2)C1 ZINC000788773808 1077297216 /nfs/dbraw/zinc/29/72/16/1077297216.db2.gz ZGSKCKTYIFIMLO-NQIIRXRSSA-N 1 1 411.546 2.532 20 0 HFADMO CCOC(=O)[C@H]1[C@H]([NH2+]CCc2ccc3cn[nH]c3c2)CCN1C(=O)OC(C)(C)C ZINC000788814696 1077306355 /nfs/dbraw/zinc/30/63/55/1077306355.db2.gz AAZRYQOXVVHLHV-SJLPKXTDSA-N 1 1 402.495 2.636 20 0 HFADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000788814726 1077306499 /nfs/dbraw/zinc/30/64/99/1077306499.db2.gz UDYNBDKOSHBWPT-RTWAWAEBSA-N 1 1 400.567 2.797 20 0 HFADMO C[C@H](CNC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2)[N@@H+]1CCc2sccc2C1 ZINC000788823329 1077309861 /nfs/dbraw/zinc/30/98/61/1077309861.db2.gz LSIGPOLMLIXQKT-ZBFHGGJFSA-N 1 1 405.564 2.868 20 0 HFADMO C[C@H](CNC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2)[N@H+]1CCc2sccc2C1 ZINC000788823329 1077309866 /nfs/dbraw/zinc/30/98/66/1077309866.db2.gz LSIGPOLMLIXQKT-ZBFHGGJFSA-N 1 1 405.564 2.868 20 0 HFADMO CC(C)[C@H](NC(=O)NCC[NH+]1CCN(c2ccccc2)CC1)[C@H](O)c1ccccc1 ZINC000788863694 1077324241 /nfs/dbraw/zinc/32/42/41/1077324241.db2.gz FYBBFTBWVBSEHX-XZOQPEGZSA-N 1 1 410.562 2.866 20 0 HFADMO C[C@@H]1C[N@H+](Cc2cccc(CNS(=O)(=O)C3=Cc4ccccc4OC3)c2)CCO1 ZINC000788886438 1077330598 /nfs/dbraw/zinc/33/05/98/1077330598.db2.gz RVQZMHGLOCOXOZ-QGZVFWFLSA-N 1 1 414.527 2.760 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2cccc(CNS(=O)(=O)C3=Cc4ccccc4OC3)c2)CCO1 ZINC000788886438 1077330604 /nfs/dbraw/zinc/33/06/04/1077330604.db2.gz RVQZMHGLOCOXOZ-QGZVFWFLSA-N 1 1 414.527 2.760 20 0 HFADMO CN1CC[NH+](C(C)(C)CNC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)CC1 ZINC000788855584 1077334416 /nfs/dbraw/zinc/33/44/16/1077334416.db2.gz UKFAJCHXHNACHG-UHFFFAOYSA-N 1 1 423.989 2.561 20 0 HFADMO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000791249824 1077348158 /nfs/dbraw/zinc/34/81/58/1077348158.db2.gz JEMHUEJLWHGMRZ-UHFFFAOYSA-N 1 1 417.263 2.549 20 0 HFADMO O=C(/C=C/c1ccc(I)o1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000791260259 1077350989 /nfs/dbraw/zinc/35/09/89/1077350989.db2.gz SXFNYEPMRBWBLD-CBSYICTRSA-N 1 1 404.223 2.542 20 0 HFADMO COCC[N@@H+](C)CCCC1CCN(C(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000788946120 1077356742 /nfs/dbraw/zinc/35/67/42/1077356742.db2.gz GQMCQIOBMGSIKB-LJQANCHMSA-N 1 1 423.598 2.840 20 0 HFADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)Cc3cccnc3Br)c2)CCO1 ZINC000791334263 1077377581 /nfs/dbraw/zinc/37/75/81/1077377581.db2.gz YUNVVYKCWHFXIK-HNNXBMFYSA-N 1 1 418.335 2.924 20 0 HFADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)Cc3cccnc3Br)c2)CCO1 ZINC000791334263 1077377587 /nfs/dbraw/zinc/37/75/87/1077377587.db2.gz YUNVVYKCWHFXIK-HNNXBMFYSA-N 1 1 418.335 2.924 20 0 HFADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)c2c[nH]nc2-c2ccoc2)CC1 ZINC000789082181 1077399436 /nfs/dbraw/zinc/39/94/36/1077399436.db2.gz LMZDECDSUFKKME-INIZCTEOSA-N 1 1 408.458 2.732 20 0 HFADMO CCOC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(Br)cc2F)CC1 ZINC000796693219 1077405544 /nfs/dbraw/zinc/40/55/44/1077405544.db2.gz GBDHZOLZGFTEJI-LBPRGKRZSA-N 1 1 416.291 2.540 20 0 HFADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)C[C@H](C)O1 ZINC000791489469 1077429319 /nfs/dbraw/zinc/42/93/19/1077429319.db2.gz GRMLXNNMVXBGCH-IYBDPMFKSA-N 1 1 420.554 2.975 20 0 HFADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)C[C@H](C)O1 ZINC000791489469 1077429324 /nfs/dbraw/zinc/42/93/24/1077429324.db2.gz GRMLXNNMVXBGCH-IYBDPMFKSA-N 1 1 420.554 2.975 20 0 HFADMO Cc1ccc(NC(=O)C2CC[NH+](CCS(=O)(=O)Cc3ccccc3)CC2)nc1 ZINC000791473996 1077445448 /nfs/dbraw/zinc/44/54/48/1077445448.db2.gz VAFNNVQJNROMPI-UHFFFAOYSA-N 1 1 401.532 2.656 20 0 HFADMO O=C(NCCc1cccs1)C1CC[NH+](CCS(=O)(=O)Cc2ccccc2)CC1 ZINC000791474297 1077446593 /nfs/dbraw/zinc/44/65/93/1077446593.db2.gz YRCRUHXPKNOJMY-UHFFFAOYSA-N 1 1 420.600 2.734 20 0 HFADMO C[C@H](OC(=O)c1cc(Cl)cc(F)c1N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000791475966 1077446671 /nfs/dbraw/zinc/44/66/71/1077446671.db2.gz RMHMQCGUMWLZRD-XJKSGUPXSA-N 1 1 419.884 2.997 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2cc(C(C)C)nn2-c2ncccn2)cn1 ZINC000789254119 1077475443 /nfs/dbraw/zinc/47/54/43/1077475443.db2.gz QDYSWSAUJVHAJE-UHFFFAOYSA-N 1 1 417.477 2.997 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C[C@H](C)O1 ZINC000789254623 1077475470 /nfs/dbraw/zinc/47/54/70/1077475470.db2.gz ZQUPMYATFJSDSK-BDXSIMOUSA-N 1 1 412.575 2.525 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C[C@H](C)O1 ZINC000789254623 1077475472 /nfs/dbraw/zinc/47/54/72/1077475472.db2.gz ZQUPMYATFJSDSK-BDXSIMOUSA-N 1 1 412.575 2.525 20 0 HFADMO O=C(CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1C(=O)NC1CC1 ZINC000791623389 1077490845 /nfs/dbraw/zinc/49/08/45/1077490845.db2.gz UJZMOKDAPJHATC-BGYRXZFFSA-N 1 1 418.541 2.581 20 0 HFADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2nc(Br)ccc2F)[C@@H](C)C1 ZINC000791595763 1077497344 /nfs/dbraw/zinc/49/73/44/1077497344.db2.gz XWWNCPWFRMWYAN-JSGCOSHPSA-N 1 1 402.308 2.850 20 0 HFADMO Cc1ncccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001086600116 1077500913 /nfs/dbraw/zinc/50/09/13/1077500913.db2.gz AQXAZYXWUBPYHN-RBKMHILSSA-N 1 1 403.526 2.898 20 0 HFADMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000747025305 1077505566 /nfs/dbraw/zinc/50/55/66/1077505566.db2.gz YFJHKMHNVOBAPZ-UHFFFAOYSA-N 1 1 414.325 2.520 20 0 HFADMO Cc1cccnc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001086600232 1077506166 /nfs/dbraw/zinc/50/61/66/1077506166.db2.gz INLZCUOAQULFRZ-IEUDBEKPSA-N 1 1 403.526 2.898 20 0 HFADMO CCc1nocc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001086600517 1077506865 /nfs/dbraw/zinc/50/68/65/1077506865.db2.gz YDBSKKVFCXJHFO-ITVBJSIGSA-N 1 1 407.514 2.745 20 0 HFADMO O=C(N[C@@H]1C[N@@H+](Cc2cncc(F)c2)C[C@H]1c1ccccc1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001086600549 1077507302 /nfs/dbraw/zinc/50/73/02/1077507302.db2.gz ZWGSLAQJVHDUCR-UUGMPZBJSA-N 1 1 407.489 2.728 20 0 HFADMO O=C(N[C@@H]1C[N@H+](Cc2cncc(F)c2)C[C@H]1c1ccccc1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001086600549 1077507304 /nfs/dbraw/zinc/50/73/04/1077507304.db2.gz ZWGSLAQJVHDUCR-UUGMPZBJSA-N 1 1 407.489 2.728 20 0 HFADMO C[C@@H]1CN(C(=O)C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc2ccccc2)CCO1 ZINC000791646608 1077510161 /nfs/dbraw/zinc/51/01/61/1077510161.db2.gz CQFRMRIVSUACNF-GOSISDBHSA-N 1 1 405.539 2.651 20 0 HFADMO CCOc1nc(C)ccc1C(=O)O[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000791647602 1077510481 /nfs/dbraw/zinc/51/04/81/1077510481.db2.gz HEPAEJQRFLVJLJ-IEBWSBKVSA-N 1 1 411.502 2.725 20 0 HFADMO Cc1cc(C)c(N2CC[C@@H]([NH+]3CCC(Oc4ccnc(C(N)=O)c4)CC3)C2=O)c(C)c1 ZINC000789360136 1077512255 /nfs/dbraw/zinc/51/22/55/1077512255.db2.gz XZKRNWVWQFJDQQ-OAQYLSRUSA-N 1 1 422.529 2.754 20 0 HFADMO C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000789330843 1077523832 /nfs/dbraw/zinc/52/38/32/1077523832.db2.gz YVWWRCWUCRZUQF-OUAUKWLOSA-N 1 1 409.399 2.750 20 0 HFADMO C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000789330843 1077523833 /nfs/dbraw/zinc/52/38/33/1077523833.db2.gz YVWWRCWUCRZUQF-OUAUKWLOSA-N 1 1 409.399 2.750 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)c2nc(NCc3ccco3)ncc2Cl)CC1 ZINC000791715652 1077536719 /nfs/dbraw/zinc/53/67/19/1077536719.db2.gz BYROWZQVTGGOLU-UHFFFAOYSA-N 1 1 421.929 2.908 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000789364275 1077539696 /nfs/dbraw/zinc/53/96/96/1077539696.db2.gz LGONVLUQDZBTFA-AHRSYUTCSA-N 1 1 401.507 2.806 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000789364275 1077539698 /nfs/dbraw/zinc/53/96/98/1077539698.db2.gz LGONVLUQDZBTFA-AHRSYUTCSA-N 1 1 401.507 2.806 20 0 HFADMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)C1 ZINC000746803083 1077543087 /nfs/dbraw/zinc/54/30/87/1077543087.db2.gz LLYXIQWADKEIMI-INIZCTEOSA-N 1 1 420.504 2.694 20 0 HFADMO Cc1nnnn1/C(=C\c1ccccc1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000791821836 1077564965 /nfs/dbraw/zinc/56/49/65/1077564965.db2.gz FKRVWICLZVEQLZ-ODLJZMMESA-N 1 1 402.502 2.618 20 0 HFADMO Cc1nnnn1/C(=C/c1ccccc1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000791821841 1077564979 /nfs/dbraw/zinc/56/49/79/1077564979.db2.gz FKRVWICLZVEQLZ-XOWGOQOESA-N 1 1 402.502 2.618 20 0 HFADMO CC(C)(C)OC(=O)N1CC(OCCC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000791825557 1077574644 /nfs/dbraw/zinc/57/46/44/1077574644.db2.gz BFTZIRWDUVSQPH-IBGZPJMESA-N 1 1 417.550 2.651 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)C2CCC(NC(=O)C3CCCC3)CC2)CC1 ZINC000791825407 1077574687 /nfs/dbraw/zinc/57/46/87/1077574687.db2.gz NJDNEWYUHSXBGN-UHFFFAOYSA-N 1 1 407.599 2.811 20 0 HFADMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000791828655 1077576846 /nfs/dbraw/zinc/57/68/46/1077576846.db2.gz NQIFYMKIXKRWPP-GOSISDBHSA-N 1 1 406.461 2.624 20 0 HFADMO CC(=O)[C@@H]1CC(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)=NN1c1ccccc1 ZINC000791828718 1077576964 /nfs/dbraw/zinc/57/69/64/1077576964.db2.gz OVAKAEZJDAJISY-OFNKIYASSA-N 1 1 404.514 2.849 20 0 HFADMO CNC(=O)c1cc2cc(NC(=O)NCc3cccnc3-n3cc[nH+]c3C)ccc2[nH]1 ZINC000791907638 1077591414 /nfs/dbraw/zinc/59/14/14/1077591414.db2.gz ANIXOFDRINYHLJ-UHFFFAOYSA-N 1 1 403.446 2.738 20 0 HFADMO C[C@]1(c2ccccc2Br)NC(=O)N(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)C1=O ZINC000789499794 1077596873 /nfs/dbraw/zinc/59/68/73/1077596873.db2.gz BRKIVJQNHZLUPN-GPMSIDNRSA-N 1 1 422.323 2.817 20 0 HFADMO C[C@]1(c2ccccc2Br)NC(=O)N(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)C1=O ZINC000789499794 1077596877 /nfs/dbraw/zinc/59/68/77/1077596877.db2.gz BRKIVJQNHZLUPN-GPMSIDNRSA-N 1 1 422.323 2.817 20 0 HFADMO CNC(=O)c1cc2cc(NC(=O)NCc3ccc(-n4cc[nH+]c4C)nc3)ccc2[nH]1 ZINC000791918872 1077611175 /nfs/dbraw/zinc/61/11/75/1077611175.db2.gz QDMWKNQCRFYFJT-UHFFFAOYSA-N 1 1 403.446 2.738 20 0 HFADMO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CN1C(=O)N[C@@](C)(c2ccc(F)cc2Cl)C1=O ZINC000789522820 1077617724 /nfs/dbraw/zinc/61/77/24/1077617724.db2.gz YKLHGGJEYQPGLT-XOBRGWDASA-N 1 1 424.904 2.584 20 0 HFADMO CCNC(=O)C[C@@H]1CCCC[N@H+]1CN1C(=O)N[C@@](C)(c2ccc(F)cc2Cl)C1=O ZINC000789522820 1077617726 /nfs/dbraw/zinc/61/77/26/1077617726.db2.gz YKLHGGJEYQPGLT-XOBRGWDASA-N 1 1 424.904 2.584 20 0 HFADMO CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCCC[C@@H]1C(=O)OCc1ccccc1)n2C ZINC000791965815 1077638332 /nfs/dbraw/zinc/63/83/32/1077638332.db2.gz KDLNXLUJEHIDBA-GOSISDBHSA-N 1 1 421.501 2.772 20 0 HFADMO O=C(NCc1ccc(-n2ccnc2)nc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792005290 1077645264 /nfs/dbraw/zinc/64/52/64/1077645264.db2.gz IPQDYBOUTVVPQY-OYRHEFFESA-N 1 1 402.502 2.541 20 0 HFADMO C[C@H](CNC(=O)c1nc(Br)ccc1F)[NH+]1CCN(c2ccccc2)CC1 ZINC000792058521 1077664371 /nfs/dbraw/zinc/66/43/71/1077664371.db2.gz NTHPMKARNKXFTQ-CQSZACIVSA-N 1 1 421.314 2.924 20 0 HFADMO CNC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000746830502 1077673166 /nfs/dbraw/zinc/67/31/66/1077673166.db2.gz VEPQXZJZPDTDFM-KRWDZBQOSA-N 1 1 411.502 2.914 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@H](OC2CCOCC2)c2ccccc2)CC1 ZINC000792067921 1077676378 /nfs/dbraw/zinc/67/63/78/1077676378.db2.gz HHGQJEIUXNYMCF-JOCHJYFZSA-N 1 1 404.551 2.883 20 0 HFADMO C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792034056 1077686399 /nfs/dbraw/zinc/68/63/99/1077686399.db2.gz PLJGTCSZKBUSIW-LSDHHAIUSA-N 1 1 422.492 2.912 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2ccc(N3CCCC3)nc2)CC1 ZINC000792038018 1077688820 /nfs/dbraw/zinc/68/88/20/1077688820.db2.gz HIGOKRWPWSDWIM-UHFFFAOYSA-N 1 1 403.527 2.563 20 0 HFADMO Cc1nccn1-c1ncccc1CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792046927 1077693129 /nfs/dbraw/zinc/69/31/29/1077693129.db2.gz RAVKYRBPUYNQKG-SZPZYZBQSA-N 1 1 416.529 2.849 20 0 HFADMO Cc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000792108178 1077700388 /nfs/dbraw/zinc/70/03/88/1077700388.db2.gz SNOUDROJMODJJC-IRLDBZIGSA-N 1 1 406.530 2.922 20 0 HFADMO Cc1nc(-c2cccc(NC(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)c2)no1 ZINC000792081856 1077706184 /nfs/dbraw/zinc/70/61/84/1077706184.db2.gz DZEQLINUHGXPMH-UHFFFAOYSA-N 1 1 415.494 2.926 20 0 HFADMO Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)c2c(F)ccc(F)c2F)CC1 ZINC000772742454 1077707141 /nfs/dbraw/zinc/70/71/41/1077707141.db2.gz LUJAFLHATDSQMA-UHFFFAOYSA-N 1 1 406.404 2.914 20 0 HFADMO O=C(NCc1cn(-c2ccccc2)nn1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792128919 1077715886 /nfs/dbraw/zinc/71/58/86/1077715886.db2.gz HCKBMFFOMAHISL-BGYRXZFFSA-N 1 1 402.502 2.541 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2c2ncccn2)CC1 ZINC000792128506 1077715903 /nfs/dbraw/zinc/71/59/03/1077715903.db2.gz DOYKMOJYFJNYRF-ACRUOGEOSA-N 1 1 415.582 2.573 20 0 HFADMO COc1cc(-c2noc(CO[NH+]=C(N)CCNC(=O)OC(C)(C)C)n2)ccc1C ZINC000789644662 1077717394 /nfs/dbraw/zinc/71/73/94/1077717394.db2.gz KYKLSNCZIDWSTB-UHFFFAOYSA-N 1 1 405.455 2.967 20 0 HFADMO Cc1ccc2c(c1C)OC[C@@H]2NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792137565 1077719016 /nfs/dbraw/zinc/71/90/16/1077719016.db2.gz IRRGALFZZPJWKX-SFHVURJKSA-N 1 1 403.523 2.796 20 0 HFADMO COC(=O)[C@@]1(NC(=O)[C@H]2CC(=O)c3ccccc32)CCC[N@H+](Cc2ccccc2)C1 ZINC000789658988 1077723592 /nfs/dbraw/zinc/72/35/92/1077723592.db2.gz YKRLSMHJJSUTLT-GBXCKJPGSA-N 1 1 406.482 2.681 20 0 HFADMO COC(=O)[C@@]1(NC(=O)[C@H]2CC(=O)c3ccccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000789658988 1077723598 /nfs/dbraw/zinc/72/35/98/1077723598.db2.gz YKRLSMHJJSUTLT-GBXCKJPGSA-N 1 1 406.482 2.681 20 0 HFADMO Cc1ccc(Cn2nccc2NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000792152877 1077724230 /nfs/dbraw/zinc/72/42/30/1077724230.db2.gz LNKJDMZNSSVFRS-UHFFFAOYSA-N 1 1 417.510 2.714 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2ccccc2N2CCOC2=O)CC1 ZINC000792122130 1077728857 /nfs/dbraw/zinc/72/88/57/1077728857.db2.gz RSOPINCUOHGAPY-UHFFFAOYSA-N 1 1 418.494 2.525 20 0 HFADMO C[C@@H](NCc1cnc(N2CC[NH+](C)CC2)nc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000792180701 1077736606 /nfs/dbraw/zinc/73/66/06/1077736606.db2.gz LQSCIZVUGQOJAV-CQSZACIVSA-N 1 1 413.913 2.783 20 0 HFADMO CCc1ccc([C@H]2COCCN2C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000792190382 1077739397 /nfs/dbraw/zinc/73/93/97/1077739397.db2.gz KDRIANKIHVOBFN-GOSISDBHSA-N 1 1 421.538 2.685 20 0 HFADMO CN1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c2cc(F)ccc21 ZINC000792200599 1077743177 /nfs/dbraw/zinc/74/31/77/1077743177.db2.gz WZTBTRIQKYYCPI-UHFFFAOYSA-N 1 1 406.502 2.551 20 0 HFADMO CCn1c(C[NH2+]Cc2ccc(OCC(N)=O)cc2)nc2cc(Br)ccc21 ZINC000792200065 1077743509 /nfs/dbraw/zinc/74/35/09/1077743509.db2.gz HJBXNKZEDCPGFJ-UHFFFAOYSA-N 1 1 417.307 2.973 20 0 HFADMO C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)C[C@@H](O)c3ccc(Cl)cc3)c2)CC1 ZINC000772742794 1077743589 /nfs/dbraw/zinc/74/35/89/1077743589.db2.gz NVNXNTIWIHNIQO-HXUWFJFHSA-N 1 1 415.921 2.719 20 0 HFADMO COC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792205554 1077745144 /nfs/dbraw/zinc/74/51/44/1077745144.db2.gz RMRYFWKZKGUSCS-ZWKOTPCHSA-N 1 1 406.910 2.658 20 0 HFADMO C[C@H](C[C@H](O)c1ccccc1)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792220719 1077747102 /nfs/dbraw/zinc/74/71/02/1077747102.db2.gz LOYBREXNUDZUCO-MJGOQNOKSA-N 1 1 405.539 2.558 20 0 HFADMO C[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H](c2ccsc2)O1 ZINC000792223676 1077749936 /nfs/dbraw/zinc/74/99/36/1077749936.db2.gz DZYINTHMQQQTNY-WMZOPIPTSA-N 1 1 423.579 2.979 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2ccccc2O[C@H]2CCOC2)CC1 ZINC000792226670 1077751478 /nfs/dbraw/zinc/75/14/78/1077751478.db2.gz VBVRPXXNQRRITJ-KRWDZBQOSA-N 1 1 419.522 2.736 20 0 HFADMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000792226263 1077751808 /nfs/dbraw/zinc/75/18/08/1077751808.db2.gz PKQOQDCLDXUODO-ACRUOGEOSA-N 1 1 413.518 2.636 20 0 HFADMO CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000746847958 1077755001 /nfs/dbraw/zinc/75/50/01/1077755001.db2.gz PGHIMPSKCRLGHW-OWCLPIDISA-N 1 1 411.543 2.601 20 0 HFADMO COc1ccc(OC)c([C@@H](O)CNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000792233608 1077756612 /nfs/dbraw/zinc/75/66/12/1077756612.db2.gz PHXBLWTTXGKPOM-RXVVDRJESA-N 1 1 413.518 2.559 20 0 HFADMO C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CCC2 ZINC000792235178 1077757840 /nfs/dbraw/zinc/75/78/40/1077757840.db2.gz LRKCAFVMGJYWCZ-CQSZACIVSA-N 1 1 415.925 2.553 20 0 HFADMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C[N@H+](CCC(=O)Nc2ccc(N(C)C)cc2)CCO1 ZINC000792237362 1077759022 /nfs/dbraw/zinc/75/90/22/1077759022.db2.gz LPLVFMUKZAQPMH-VQIMIIECSA-N 1 1 420.554 2.695 20 0 HFADMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](CCC(=O)Nc2ccc(N(C)C)cc2)CCO1 ZINC000792237362 1077759024 /nfs/dbraw/zinc/75/90/24/1077759024.db2.gz LPLVFMUKZAQPMH-VQIMIIECSA-N 1 1 420.554 2.695 20 0 HFADMO CN(C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@H](CCO)c1ccccc1 ZINC000792238981 1077759201 /nfs/dbraw/zinc/75/92/01/1077759201.db2.gz ZMFXVWSIQFBVGF-LJQANCHMSA-N 1 1 405.539 2.511 20 0 HFADMO CC(C)[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1cccnc1 ZINC000792214484 1077768233 /nfs/dbraw/zinc/76/82/33/1077768233.db2.gz IBHPNDAGYQXZTL-LJQANCHMSA-N 1 1 404.555 2.880 20 0 HFADMO Cc1cc2[nH]ncc2cc1NC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000792293464 1077778639 /nfs/dbraw/zinc/77/86/39/1077778639.db2.gz XLYXDIKHBZFZHW-UHFFFAOYSA-N 1 1 420.517 2.979 20 0 HFADMO COc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000792253768 1077780748 /nfs/dbraw/zinc/78/07/48/1077780748.db2.gz 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FMRRVKPKPVSMGS-UHFFFAOYSA-N 1 1 406.479 2.557 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[N@H+](CCOC(=O)c2cnn(-c3ccccc3)c2)CC1 ZINC000789791600 1077798652 /nfs/dbraw/zinc/79/86/52/1077798652.db2.gz GCDYKEZTRKEIKJ-UHFFFAOYSA-N 1 1 414.506 2.972 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[N@@H+](CCOC(=O)c2cnn(-c3ccccc3)c2)CC1 ZINC000789791600 1077798656 /nfs/dbraw/zinc/79/86/56/1077798656.db2.gz GCDYKEZTRKEIKJ-UHFFFAOYSA-N 1 1 414.506 2.972 20 0 HFADMO C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792317086 1077804285 /nfs/dbraw/zinc/80/42/85/1077804285.db2.gz FIJPPBWRVNFLEB-MJGOQNOKSA-N 1 1 402.539 2.934 20 0 HFADMO CCn1cc([C@@H](O)C[N@@H+](CCN2C(=O)c3ccccc3C2=O)Cc2ccccc2)cn1 ZINC000792366106 1077817243 /nfs/dbraw/zinc/81/72/43/1077817243.db2.gz QWAJGFWJNAJCBO-QFIPXVFZSA-N 1 1 418.497 2.735 20 0 HFADMO Cc1cc(NC(=O)C[NH+]2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)n(C)n1 ZINC000792334491 1077823724 /nfs/dbraw/zinc/82/37/24/1077823724.db2.gz XYXVNIDKKUUMSK-UHFFFAOYSA-N 1 1 405.543 2.780 20 0 HFADMO CCn1cc([C@H](O)C[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)Cc2ccccc2)cn1 ZINC000792380579 1077845396 /nfs/dbraw/zinc/84/53/96/1077845396.db2.gz XPMROFMZYCXBFY-HXUWFJFHSA-N 1 1 422.485 2.806 20 0 HFADMO CCn1cc([C@H](O)C[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)Cc2ccccc2)cn1 ZINC000792380579 1077845399 /nfs/dbraw/zinc/84/53/99/1077845399.db2.gz XPMROFMZYCXBFY-HXUWFJFHSA-N 1 1 422.485 2.806 20 0 HFADMO Nn1c(SC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)nnc1[C@@H]1CCCCO1 ZINC000789921552 1077848302 /nfs/dbraw/zinc/84/83/02/1077848302.db2.gz LNKRAWOAISVJDU-ROUUACIJSA-N 1 1 403.552 2.617 20 0 HFADMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1nc(Br)cs1 ZINC000792441376 1077852003 /nfs/dbraw/zinc/85/20/03/1077852003.db2.gz PGLHFJASMMOSMK-CQSZACIVSA-N 1 1 410.337 2.792 20 0 HFADMO CNC(=O)c1cncc(/C=C\C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000746864718 1077862548 /nfs/dbraw/zinc/86/25/48/1077862548.db2.gz HEXGPCXRDUPCFI-RRFNBQSRSA-N 1 1 418.541 2.969 20 0 HFADMO NCc1ncc(N(CCCC[NH3+])S(=O)(=O)c2ccc3c(Cl)cccc3c2)cn1 ZINC001170179768 1077901706 /nfs/dbraw/zinc/90/17/06/1077901706.db2.gz CCDVMDLCNQGSJL-UHFFFAOYSA-N 1 1 419.938 2.676 20 0 HFADMO C[C@@H](CNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000790031156 1077903617 /nfs/dbraw/zinc/90/36/17/1077903617.db2.gz FHYUWJQBHBMCJT-PMACEKPBSA-N 1 1 414.594 2.572 20 0 HFADMO C[N@@H+](CCN1CCN(CN2CC[C@](C)(c3ccccc3)C2=O)CC1)Cc1ccccc1 ZINC000780428703 1077903651 /nfs/dbraw/zinc/90/36/51/1077903651.db2.gz HQMNTBRFANFDIY-AREMUKBSSA-N 1 1 420.601 2.884 20 0 HFADMO CC[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)CCO1 ZINC001170206765 1077906117 /nfs/dbraw/zinc/90/61/17/1077906117.db2.gz ARKJACYDCABJIE-WOIUINJBSA-N 1 1 400.523 2.609 20 0 HFADMO CC[C@H]1C[C@@H]([N@H+]2C[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C[C@]3(C(=O)OC)C2)CCO1 ZINC001170207210 1077906565 /nfs/dbraw/zinc/90/65/65/1077906565.db2.gz KGOSOPFFSIBLGA-VEXSNRMASA-N 1 1 422.566 2.922 20 0 HFADMO CC(C)Oc1cccc(CNC(=O)C[N@H+](Cc2ccccc2)[C@]2(CO)CCOC2)c1 ZINC001170216143 1077909232 /nfs/dbraw/zinc/90/92/32/1077909232.db2.gz JVJSFOQCWVEGNX-DEOSSOPVSA-N 1 1 412.530 2.744 20 0 HFADMO CC(C)Oc1cccc(CNC(=O)C[N@@H+](Cc2ccccc2)[C@]2(CO)CCOC2)c1 ZINC001170216143 1077909233 /nfs/dbraw/zinc/90/92/33/1077909233.db2.gz JVJSFOQCWVEGNX-DEOSSOPVSA-N 1 1 412.530 2.744 20 0 HFADMO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000790024360 1077917749 /nfs/dbraw/zinc/91/77/49/1077917749.db2.gz OOPVHQYOQPUGEM-SJORKVTESA-N 1 1 401.473 2.962 20 0 HFADMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000790024360 1077917750 /nfs/dbraw/zinc/91/77/50/1077917750.db2.gz OOPVHQYOQPUGEM-SJORKVTESA-N 1 1 401.473 2.962 20 0 HFADMO NC(=O)c1ncn(C2CC[NH+](Cc3cc(F)c(C(F)(F)F)cc3F)CC2)c1N ZINC001170264265 1077921179 /nfs/dbraw/zinc/92/11/79/1077921179.db2.gz MSHAODFDJDVPHD-UHFFFAOYSA-N 1 1 403.355 2.698 20 0 HFADMO CCOC(=O)CC(C)(C)CC[NH+]1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 ZINC001170273801 1077925866 /nfs/dbraw/zinc/92/58/66/1077925866.db2.gz RXNBCEIQSSZCIR-WBVHZDCISA-N 1 1 422.488 2.904 20 0 HFADMO C[C@@H](Cc1ccccc1Cl)[N@H+]1C[C@H](C(=O)N2CCOCC2)C2(C1)CCOCC2 ZINC001170275619 1077926517 /nfs/dbraw/zinc/92/65/17/1077926517.db2.gz HXQUEMBEQDKGBF-PKOBYXMFSA-N 1 1 406.954 2.858 20 0 HFADMO C[C@@H](Cc1ccccc1Cl)[N@H+]1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cnn(C)c2)C1 ZINC001170286348 1077938108 /nfs/dbraw/zinc/93/81/08/1077938108.db2.gz XQGODIBAUBBNPP-LDBRAYGESA-N 1 1 416.953 2.771 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2C[N@H+]2CC[C@H](O)C23CCCC3)C1 ZINC001206047600 1077948530 /nfs/dbraw/zinc/94/85/30/1077948530.db2.gz JSLMHLVYOMDSOB-WMZOPIPTSA-N 1 1 405.543 2.730 20 0 HFADMO CCC(CC)[C@@H](CNC(=O)N1CCC(Oc2ccc(F)nc2)CC1)[NH+]1CCOCC1 ZINC000790138724 1077954274 /nfs/dbraw/zinc/95/42/74/1077954274.db2.gz FNWHNBMYHKYLGU-HXUWFJFHSA-N 1 1 422.545 2.911 20 0 HFADMO Cc1nnnn1/C(=C\c1ccccc1)C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000772813353 1077955618 /nfs/dbraw/zinc/95/56/18/1077955618.db2.gz ZXGRVHQNCIVSNK-ZHZULCJRSA-N 1 1 404.474 2.753 20 0 HFADMO O=C(C[C@H](O)c1ccc(Cl)cc1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000772813183 1077955858 /nfs/dbraw/zinc/95/58/58/1077955858.db2.gz OGOKGSOSZVIHIY-GIVPXCGWSA-N 1 1 402.922 2.763 20 0 HFADMO O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)OCc1ccccc1 ZINC000746882917 1077956591 /nfs/dbraw/zinc/95/65/91/1077956591.db2.gz NQDYZPLERNINDZ-IFMALSPDSA-N 1 1 407.514 2.877 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)C[C@H](C)O1 ZINC000790121038 1077957877 /nfs/dbraw/zinc/95/78/77/1077957877.db2.gz BVMDPFSUFMURMT-KDURUIRLSA-N 1 1 409.530 2.651 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)C[C@H](C)O1 ZINC000790121038 1077957880 /nfs/dbraw/zinc/95/78/80/1077957880.db2.gz BVMDPFSUFMURMT-KDURUIRLSA-N 1 1 409.530 2.651 20 0 HFADMO CCOC(=O)[C@H](Cc1ccc(F)cc1)Nc1cccc(C(=O)N2CC[NH+](C)CC2)c1 ZINC001170404356 1077965739 /nfs/dbraw/zinc/96/57/39/1077965739.db2.gz LPSBPAXMYQTCKE-NRFANRHFSA-N 1 1 413.493 2.800 20 0 HFADMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1F)c2=O ZINC000746887569 1077972911 /nfs/dbraw/zinc/97/29/11/1077972911.db2.gz RDXCKHBYPINBKA-AWEZNQCLSA-N 1 1 424.501 2.780 20 0 HFADMO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)NCCCn2cc[nH+]c2C)cn1 ZINC000790225233 1077980262 /nfs/dbraw/zinc/98/02/62/1077980262.db2.gz MKXWBVCPIYWOOY-NRFANRHFSA-N 1 1 410.522 2.743 20 0 HFADMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000790264742 1077989844 /nfs/dbraw/zinc/98/98/44/1077989844.db2.gz OQXDPOINYXVCPB-NXHRZFHOSA-N 1 1 409.452 2.764 20 0 HFADMO C[NH+](C)[C@@H](CNC(=O)N[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)c1ccco1 ZINC000792791031 1077992393 /nfs/dbraw/zinc/99/23/93/1077992393.db2.gz XKODEGRTOOLPQB-PGRDOPGGSA-N 1 1 414.506 2.983 20 0 HFADMO CC(C)(C)C[C@H]1CCC[N@H+]1CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000747086877 1077997423 /nfs/dbraw/zinc/99/74/23/1077997423.db2.gz IHOHBBDGUVZLSP-JPYJTQIMSA-N 1 1 414.550 2.862 20 0 HFADMO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CCC[C@H]2CC(C)(C)C)C1=O ZINC000747087325 1078005290 /nfs/dbraw/zinc/00/52/90/1078005290.db2.gz RNMOZUJUSQKKRE-HTAPYJJXSA-N 1 1 400.523 2.776 20 0 HFADMO Cc1[nH+]ccn1CCCC(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000772752883 1078005476 /nfs/dbraw/zinc/00/54/76/1078005476.db2.gz HPIJMHAMVAAYTH-UHFFFAOYSA-N 1 1 403.426 2.710 20 0 HFADMO C[C@]1(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000792857383 1078009589 /nfs/dbraw/zinc/00/95/89/1078009589.db2.gz YYTNHVMVVZAEIQ-KNKQGSTJSA-N 1 1 400.523 2.714 20 0 HFADMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1nc(Br)ccc1Br ZINC000790382271 1078009973 /nfs/dbraw/zinc/00/99/73/1078009973.db2.gz RNVQMALKRIHGSF-VIFPVBQESA-N 1 1 403.118 2.821 20 0 HFADMO O=C(NC[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1)OCc1ccccc1 ZINC000792861121 1078010420 /nfs/dbraw/zinc/01/04/20/1078010420.db2.gz XVTJWZYRJTUIIU-VQTJNVASSA-N 1 1 414.550 2.819 20 0 HFADMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N(CCO)Cc1cccnc1Cl ZINC000792863805 1078011195 /nfs/dbraw/zinc/01/11/95/1078011195.db2.gz SAHNNFLSSDJABJ-IBGZPJMESA-N 1 1 402.926 2.904 20 0 HFADMO CC(C)C1CCC([NH+]2CCN(CN3C[C@]4(CN5CCC4CC5)OC3=O)CC2)CC1 ZINC000790366225 1078015412 /nfs/dbraw/zinc/01/54/12/1078015412.db2.gz HMJPHXPLUAECNS-IRSIHTCSSA-N 1 1 404.599 2.693 20 0 HFADMO O=C(C[C@@H]1CCCOC1)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000792890613 1078017829 /nfs/dbraw/zinc/01/78/29/1078017829.db2.gz LBKARVSMRQKNAC-INIZCTEOSA-N 1 1 404.536 2.692 20 0 HFADMO C[N@@H+](CCOc1cccc(CNC(=O)NCc2cccnc2F)c1)C1CCOCC1 ZINC000792897423 1078018714 /nfs/dbraw/zinc/01/87/14/1078018714.db2.gz HOTRCRUKLFMUSA-UHFFFAOYSA-N 1 1 416.497 2.710 20 0 HFADMO C[C@]12CC[N@H+](CC(=O)NCc3ccccc3CN3CCCC3=O)C[C@H]1C2(Cl)Cl ZINC000792901895 1078019725 /nfs/dbraw/zinc/01/97/25/1078019725.db2.gz GQRPJJXSJSQUBP-XLIONFOSSA-N 1 1 424.372 2.941 20 0 HFADMO C[C@]12CC[N@@H+](CC(=O)NCc3ccccc3CN3CCCC3=O)C[C@H]1C2(Cl)Cl ZINC000792901895 1078019731 /nfs/dbraw/zinc/01/97/31/1078019731.db2.gz GQRPJJXSJSQUBP-XLIONFOSSA-N 1 1 424.372 2.941 20 0 HFADMO C[C@]12CC[N@H+](CC(=O)N3CCN(c4ccccc4F)CC3)C[C@H]1C2(Cl)Cl ZINC000792908544 1078020807 /nfs/dbraw/zinc/02/08/07/1078020807.db2.gz RIMGHQLNDUYHJU-AEFFLSMTSA-N 1 1 400.325 2.990 20 0 HFADMO C[C@]12CC[N@@H+](CC(=O)N3CCN(c4ccccc4F)CC3)C[C@H]1C2(Cl)Cl ZINC000792908544 1078020812 /nfs/dbraw/zinc/02/08/12/1078020812.db2.gz RIMGHQLNDUYHJU-AEFFLSMTSA-N 1 1 400.325 2.990 20 0 HFADMO C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792908958 1078021570 /nfs/dbraw/zinc/02/15/70/1078021570.db2.gz WKIPSOISCRGJHV-DKSSEZFCSA-N 1 1 412.361 2.945 20 0 HFADMO C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792908958 1078021578 /nfs/dbraw/zinc/02/15/78/1078021578.db2.gz WKIPSOISCRGJHV-DKSSEZFCSA-N 1 1 412.361 2.945 20 0 HFADMO O[C@H](C[C@H]1COCCN1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccco1 ZINC000792873460 1078021819 /nfs/dbraw/zinc/02/18/19/1078021819.db2.gz SYNLGAVHWFVIEJ-FDFHNCONSA-N 1 1 400.519 2.695 20 0 HFADMO CN1CC[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@H]1Cc1ccccc1 ZINC000792942571 1078022314 /nfs/dbraw/zinc/02/23/14/1078022314.db2.gz ORVRAIZOMHVWKU-XMMPIXPASA-N 1 1 422.573 2.711 20 0 HFADMO C[N@@H+]1CCN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@H]1Cc1ccccc1 ZINC000792942571 1078022324 /nfs/dbraw/zinc/02/23/24/1078022324.db2.gz ORVRAIZOMHVWKU-XMMPIXPASA-N 1 1 422.573 2.711 20 0 HFADMO C[N@H+]1CCN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@H]1Cc1ccccc1 ZINC000792942571 1078022330 /nfs/dbraw/zinc/02/23/30/1078022330.db2.gz ORVRAIZOMHVWKU-XMMPIXPASA-N 1 1 422.573 2.711 20 0 HFADMO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cn1 ZINC000790424176 1078022907 /nfs/dbraw/zinc/02/29/07/1078022907.db2.gz KJHAWWPAXSLOKO-BULFRSBZSA-N 1 1 411.550 2.631 20 0 HFADMO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000792943765 1078023037 /nfs/dbraw/zinc/02/30/37/1078023037.db2.gz UEPDLVSBKKALSL-RDPSFJRHSA-N 1 1 422.573 2.709 20 0 HFADMO CN(C(=O)C[N@H+]1CCC[C@@H]1[C@H]1CCCO1)c1ccccc1C(=O)NCc1ccco1 ZINC000792923259 1078026708 /nfs/dbraw/zinc/02/67/08/1078026708.db2.gz DLQRUBGNUPZYAF-NHCUHLMSSA-N 1 1 411.502 2.816 20 0 HFADMO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+](C)C(C)(C)c2ccccc2)C1=O ZINC000792924818 1078027479 /nfs/dbraw/zinc/02/74/79/1078027479.db2.gz JEJQVIVVAPKSDS-HSZRJFAPSA-N 1 1 408.502 2.742 20 0 HFADMO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+](C)C(C)(C)c2ccccc2)C1=O ZINC000792924818 1078027484 /nfs/dbraw/zinc/02/74/84/1078027484.db2.gz JEJQVIVVAPKSDS-HSZRJFAPSA-N 1 1 408.502 2.742 20 0 HFADMO C[C@H](NC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1nnnn1C1CC1 ZINC000790436772 1078030457 /nfs/dbraw/zinc/03/04/57/1078030457.db2.gz KFSGJJFFUAYDJH-PPHDSNJXSA-N 1 1 421.908 2.854 20 0 HFADMO COC(=O)c1c2cnn(C[NH+]3CCC(OC(C)=O)CC3)c2ccc1Br ZINC000790442092 1078032528 /nfs/dbraw/zinc/03/25/28/1078032528.db2.gz JXRUWTYTQNAQLR-UHFFFAOYSA-N 1 1 410.268 2.570 20 0 HFADMO Cc1ccc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)nc1Br ZINC000792954180 1078034568 /nfs/dbraw/zinc/03/45/68/1078034568.db2.gz ZVNFWNSGUXVWAP-CYBMUJFWSA-N 1 1 411.344 2.719 20 0 HFADMO O=C(Nc1ccc(N2CCOC2=O)cc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000747094549 1078036339 /nfs/dbraw/zinc/03/63/39/1078036339.db2.gz DCPJXADYMWSTAB-WIYYLYMNSA-N 1 1 424.501 2.648 20 0 HFADMO O=S(=O)(NCc1c[nH+]c2n1CCCC2)C1=Cc2cc(Br)ccc2OC1 ZINC000790457465 1078037672 /nfs/dbraw/zinc/03/76/72/1078037672.db2.gz WUCRVZPFRWQDAQ-UHFFFAOYSA-N 1 1 424.320 2.835 20 0 HFADMO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cn1 ZINC000790468687 1078038418 /nfs/dbraw/zinc/03/84/18/1078038418.db2.gz RUKQVRPMALDKRC-AVRDEDQJSA-N 1 1 411.550 2.799 20 0 HFADMO O=C(OCc1ccccc1)N1CCC([NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000790471049 1078038719 /nfs/dbraw/zinc/03/87/19/1078038719.db2.gz GLGWZSRQKIRPDR-FCHUYYIVSA-N 1 1 401.551 2.755 20 0 HFADMO COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)c2ccc3nc(Cl)cnc3c2)cc1 ZINC000790480551 1078041131 /nfs/dbraw/zinc/04/11/31/1078041131.db2.gz IQDBUFMBEZDSBJ-GOSISDBHSA-N 1 1 420.922 2.873 20 0 HFADMO COc1ccc(CN(CCc2ccccn2)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000792990177 1078042331 /nfs/dbraw/zinc/04/23/31/1078042331.db2.gz QEAPOAOHVHUYGV-JTHBVZDNSA-N 1 1 424.545 2.708 20 0 HFADMO O=C(OCc1ccccc1)N1CCC([NH2+][C@H]2CS(=O)(=O)c3ccccc32)CC1 ZINC000790487226 1078042406 /nfs/dbraw/zinc/04/24/06/1078042406.db2.gz WUOXELVKXBMLFM-IBGZPJMESA-N 1 1 400.500 2.906 20 0 HFADMO CNC(=O)OC[C@@H]1CCCCN1C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000806265553 1079529765 /nfs/dbraw/zinc/52/97/65/1079529765.db2.gz OFVHBRSDVNDREX-APWZRJJASA-N 1 1 404.511 2.822 20 0 HFADMO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C3CCC3)C1)CCC2 ZINC000806298759 1079549670 /nfs/dbraw/zinc/54/96/70/1079549670.db2.gz OIJGHWCGGDQQID-ABSDTBQOSA-N 1 1 415.582 2.727 20 0 HFADMO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1[C@H](C)C[N@@H+](C)[C@@H](C)[C@H]1C ZINC001130586730 1079561363 /nfs/dbraw/zinc/56/13/63/1079561363.db2.gz STBOERPVYBUBEP-FGTMMUONSA-N 1 1 407.580 2.723 20 0 HFADMO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000806309396 1079564160 /nfs/dbraw/zinc/56/41/60/1079564160.db2.gz FBOZWUWSVDPPPQ-PMACEKPBSA-N 1 1 402.539 2.961 20 0 HFADMO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000806296028 1079583894 /nfs/dbraw/zinc/58/38/94/1079583894.db2.gz WOBKNDSDHRZHIR-LJQANCHMSA-N 1 1 424.586 2.720 20 0 HFADMO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000806355193 1079588161 /nfs/dbraw/zinc/58/81/61/1079588161.db2.gz PPKLURSLLVHMOG-BZSNNMDCSA-N 1 1 412.575 2.575 20 0 HFADMO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000806354690 1079589144 /nfs/dbraw/zinc/58/91/44/1079589144.db2.gz HNPPIUBELQNORW-FGTMMUONSA-N 1 1 412.575 2.527 20 0 HFADMO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000806354690 1079589156 /nfs/dbraw/zinc/58/91/56/1079589156.db2.gz HNPPIUBELQNORW-FGTMMUONSA-N 1 1 412.575 2.527 20 0 HFADMO CC(C)[N@H+](Cc1ccc(NC(=O)NCc2cnn(C)n2)cc1)C[C@@H]1CCCCO1 ZINC000806389688 1079641012 /nfs/dbraw/zinc/64/10/12/1079641012.db2.gz XAVKYNJVFWTBEV-FQEVSTJZSA-N 1 1 400.527 2.916 20 0 HFADMO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000806355629 1079644376 /nfs/dbraw/zinc/64/43/76/1079644376.db2.gz YDYONGCUBUPKCK-KURKYZTESA-N 1 1 412.575 2.573 20 0 HFADMO Cc1ccccc1[C@@H](O)C1CCN(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000806360240 1079647204 /nfs/dbraw/zinc/64/72/04/1079647204.db2.gz AFHYQJBXSMNLHM-PKTZIBPZSA-N 1 1 416.610 2.722 20 0 HFADMO Cc1ccccc1[C@H](O)C1CCN(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000806360238 1079647351 /nfs/dbraw/zinc/64/73/51/1079647351.db2.gz AFHYQJBXSMNLHM-DHIUTWEWSA-N 1 1 416.610 2.722 20 0 HFADMO CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000806429205 1079674019 /nfs/dbraw/zinc/67/40/19/1079674019.db2.gz REGADHUBTPTJSC-AZUAARDMSA-N 1 1 406.571 2.903 20 0 HFADMO CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000806434395 1079680148 /nfs/dbraw/zinc/68/01/48/1079680148.db2.gz KFNJTQCQADBNBU-UXHICEINSA-N 1 1 402.539 2.961 20 0 HFADMO CNC(=O)OC[C@H]1CCCCN1C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000806434024 1079680173 /nfs/dbraw/zinc/68/01/73/1079680173.db2.gz ZUCRSAFAILYPBL-LJQANCHMSA-N 1 1 402.539 2.743 20 0 HFADMO Cc1ccc(CC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)c(Cl)n1 ZINC000806443746 1079715429 /nfs/dbraw/zinc/71/54/29/1079715429.db2.gz SXWDFDXEQHQAEY-UHFFFAOYSA-N 1 1 400.954 2.910 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)N2Cc3ccccc3CO2)CC1 ZINC000806444919 1079716010 /nfs/dbraw/zinc/71/60/10/1079716010.db2.gz HYRJURFPSFKORG-UHFFFAOYSA-N 1 1 404.511 2.586 20 0 HFADMO C[C@@H](C(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806450903 1079721456 /nfs/dbraw/zinc/72/14/56/1079721456.db2.gz ALYPCKXISYIKJH-QGZVFWFLSA-N 1 1 416.566 2.876 20 0 HFADMO Cn1[nH]cc2c(=NC(=O)N3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)ccnc1-2 ZINC000806491855 1079743232 /nfs/dbraw/zinc/74/32/32/1079743232.db2.gz VGFKKEYPTLCDEE-UHFFFAOYSA-N 1 1 404.518 2.862 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000806506185 1079756459 /nfs/dbraw/zinc/75/64/59/1079756459.db2.gz MFCJYRLSNNRQOW-SFHVURJKSA-N 1 1 414.510 2.728 20 0 HFADMO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000806509257 1079759478 /nfs/dbraw/zinc/75/94/78/1079759478.db2.gz KGZLHJVRIHDKQD-QGZVFWFLSA-N 1 1 408.568 2.805 20 0 HFADMO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000806509257 1079759482 /nfs/dbraw/zinc/75/94/82/1079759482.db2.gz KGZLHJVRIHDKQD-QGZVFWFLSA-N 1 1 408.568 2.805 20 0 HFADMO CCN(C(=O)C(=O)NC[C@@H]1CSCCS1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000806474689 1079761304 /nfs/dbraw/zinc/76/13/04/1079761304.db2.gz DBUCQHBGWWENFG-YTQUADARSA-N 1 1 421.632 2.635 20 0 HFADMO Cc1noc(C)c1CCCNC(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000806480292 1079765197 /nfs/dbraw/zinc/76/51/97/1079765197.db2.gz HDPBLOOHXDDPOW-APWZRJJASA-N 1 1 418.563 2.601 20 0 HFADMO Cn1[nH]cc2c(=NC(=O)NC[C@@H]3CC[N@@H+](C)[C@@H]3c3ccc(Cl)c(F)c3)ccnc1-2 ZINC000806483923 1079770561 /nfs/dbraw/zinc/77/05/61/1079770561.db2.gz VQAWNMDPMFWXJG-SCLBCKFNSA-N 1 1 416.888 2.949 20 0 HFADMO COC(=O)[C@@H]1CC[C@@H](NC2(C(=O)OC)CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC001170510049 1079828765 /nfs/dbraw/zinc/82/87/65/1079828765.db2.gz RLUKMVNHSPMBKX-SJLPKXTDSA-N 1 1 408.926 2.779 20 0 HFADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc(Cl)nc2)C1 ZINC000806594857 1079838027 /nfs/dbraw/zinc/83/80/27/1079838027.db2.gz STCHNYZGOOJIHT-WMZOPIPTSA-N 1 1 406.958 2.507 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000747341320 1079878780 /nfs/dbraw/zinc/87/87/80/1079878780.db2.gz FLLXIEAKPZAPQL-NJDAHSKKSA-N 1 1 421.541 2.671 20 0 HFADMO Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)c12 ZINC000747344137 1079906927 /nfs/dbraw/zinc/90/69/27/1079906927.db2.gz UYKDSDBGTRLMFQ-DLBZAZTESA-N 1 1 411.550 2.965 20 0 HFADMO C[C@@H](NC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000806723604 1079946600 /nfs/dbraw/zinc/94/66/00/1079946600.db2.gz LRICDLYQTTXWSP-DYESRHJHSA-N 1 1 406.530 2.835 20 0 HFADMO C[C@@H](NC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000806723604 1079946601 /nfs/dbraw/zinc/94/66/01/1079946601.db2.gz LRICDLYQTTXWSP-DYESRHJHSA-N 1 1 406.530 2.835 20 0 HFADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)CC1 ZINC000806729906 1079956194 /nfs/dbraw/zinc/95/61/94/1079956194.db2.gz ZBBDWYXEOJLGLH-UHFFFAOYSA-N 1 1 423.557 2.573 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000806731120 1079957364 /nfs/dbraw/zinc/95/73/64/1079957364.db2.gz CLHDVXIZJGAHJV-RBUKOAKNSA-N 1 1 423.557 2.652 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000806731120 1079957366 /nfs/dbraw/zinc/95/73/66/1079957366.db2.gz CLHDVXIZJGAHJV-RBUKOAKNSA-N 1 1 423.557 2.652 20 0 HFADMO Cc1ccc(CC(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)c(Cl)n1 ZINC000806734915 1079961398 /nfs/dbraw/zinc/96/13/98/1079961398.db2.gz PUEIMLFVEIWIBV-QGZVFWFLSA-N 1 1 400.910 2.922 20 0 HFADMO Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001130732684 1079969796 /nfs/dbraw/zinc/96/97/96/1079969796.db2.gz AVLQKTPYDYVSPR-JJEOQYAHSA-N 1 1 410.562 2.717 20 0 HFADMO Cc1cccnc1C(F)(F)C(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001130733391 1079972051 /nfs/dbraw/zinc/97/20/51/1079972051.db2.gz PNGHUGZYGNOKDJ-MOPGFXCFSA-N 1 1 401.457 2.984 20 0 HFADMO CCOC(=O)c1ccc(C(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)nc1C ZINC001130733425 1079972622 /nfs/dbraw/zinc/97/26/22/1079972622.db2.gz QFBLAZFAWSYDQT-YADHBBJMSA-N 1 1 423.513 2.682 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)cn1 ZINC000806743497 1079997502 /nfs/dbraw/zinc/99/75/02/1079997502.db2.gz RMEOKTYHWZGPMP-UHFFFAOYSA-N 1 1 422.420 2.690 20 0 HFADMO CN(Cc1ccn(-c2ccccc2)n1)C(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000806789364 1080010663 /nfs/dbraw/zinc/01/06/63/1080010663.db2.gz KLYZJYMTCHDGHY-JOCHJYFZSA-N 1 1 423.561 2.744 20 0 HFADMO CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC001130750994 1080020361 /nfs/dbraw/zinc/02/03/61/1080020361.db2.gz ANLIWRORRRURML-ISKFKSNPSA-N 1 1 405.542 2.908 20 0 HFADMO CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC001130750994 1080020369 /nfs/dbraw/zinc/02/03/69/1080020369.db2.gz ANLIWRORRRURML-ISKFKSNPSA-N 1 1 405.542 2.908 20 0 HFADMO C[C@H](CNC(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1)C[NH+]1CCOCC1 ZINC000806839827 1080051518 /nfs/dbraw/zinc/05/15/18/1080051518.db2.gz LBVKPDCDKNYELG-OFNKIYASSA-N 1 1 411.546 2.900 20 0 HFADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3nc(Br)sc3C3CC3)CC2)C1 ZINC000806867072 1080068366 /nfs/dbraw/zinc/06/83/66/1080068366.db2.gz NWDOHRBWRJOHMO-CYBMUJFWSA-N 1 1 413.385 2.635 20 0 HFADMO C[NH+](C)CCN1CCC(CNC(=O)c2cc(Br)ncc2Cl)CC1 ZINC000806872957 1080074569 /nfs/dbraw/zinc/07/45/69/1080074569.db2.gz PNKLKTNKOJFRII-UHFFFAOYSA-N 1 1 403.752 2.501 20 0 HFADMO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000806971621 1080140266 /nfs/dbraw/zinc/14/02/66/1080140266.db2.gz POUXRSNLQVRSGU-GOEBONIOSA-N 1 1 421.542 2.779 20 0 HFADMO CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000806953104 1080163513 /nfs/dbraw/zinc/16/35/13/1080163513.db2.gz HGWTUJVVJJYSCR-IHPCNDPISA-N 1 1 402.539 2.960 20 0 HFADMO C[C@@H](c1ccc(NC(=O)C(=O)Nc2cccc(C(C)(C)O)c2)cc1)[NH+]1CCOCC1 ZINC000807007211 1080206876 /nfs/dbraw/zinc/20/68/76/1080206876.db2.gz CWUHCDMIHLCOKV-INIZCTEOSA-N 1 1 411.502 2.884 20 0 HFADMO C[C@H]1CCN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000807028940 1080222621 /nfs/dbraw/zinc/22/26/21/1080222621.db2.gz ADNLVDOPNJYGFJ-CLROSIBMSA-N 1 1 412.456 2.660 20 0 HFADMO C[C@H]1CCN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000807028940 1080222626 /nfs/dbraw/zinc/22/26/26/1080222626.db2.gz ADNLVDOPNJYGFJ-CLROSIBMSA-N 1 1 412.456 2.660 20 0 HFADMO C[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCc4ccc(F)cc43)cc2Cl)CC1 ZINC000807049807 1080233232 /nfs/dbraw/zinc/23/32/32/1080233232.db2.gz ZZYVBFVXXFSHRW-UHFFFAOYSA-N 1 1 416.884 2.759 20 0 HFADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000807091949 1080270718 /nfs/dbraw/zinc/27/07/18/1080270718.db2.gz QDVYPZZERGNJLV-LEWJYISDSA-N 1 1 401.551 2.603 20 0 HFADMO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000807113719 1080290488 /nfs/dbraw/zinc/29/04/88/1080290488.db2.gz IDLRPXHVIQWOJQ-LRQRDZAKSA-N 1 1 410.518 2.673 20 0 HFADMO CNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000807203307 1080350915 /nfs/dbraw/zinc/35/09/15/1080350915.db2.gz LVWIFYDQTXTNKD-DENIHFKCSA-N 1 1 402.539 2.819 20 0 HFADMO CNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000807203308 1080351148 /nfs/dbraw/zinc/35/11/48/1080351148.db2.gz LVWIFYDQTXTNKD-KNQAVFIVSA-N 1 1 402.539 2.819 20 0 HFADMO CNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000807178138 1080368849 /nfs/dbraw/zinc/36/88/49/1080368849.db2.gz JZPWYRNGBIDUQC-RTBURBONSA-N 1 1 420.579 2.524 20 0 HFADMO CNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000807178138 1080368854 /nfs/dbraw/zinc/36/88/54/1080368854.db2.gz JZPWYRNGBIDUQC-RTBURBONSA-N 1 1 420.579 2.524 20 0 HFADMO C[C@H]1C[N@@H+](CCCNC(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)CCCO1 ZINC000807180691 1080373639 /nfs/dbraw/zinc/37/36/39/1080373639.db2.gz LGORAJAEAURDSD-AZUAARDMSA-N 1 1 424.586 2.720 20 0 HFADMO CC(=O)N1CSC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000747378378 1080412903 /nfs/dbraw/zinc/41/29/03/1080412903.db2.gz UPRXENVQRIDPAI-QGZVFWFLSA-N 1 1 415.481 2.661 20 0 HFADMO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC001130895431 1080431843 /nfs/dbraw/zinc/43/18/43/1080431843.db2.gz PKKNWHKYYILZJR-CQSZACIVSA-N 1 1 415.987 2.973 20 0 HFADMO CCOC(=O)C1=C(Nc2cc3c(cn2)OCC(=O)N3)CC[N@@H+](Cc2ccccc2)C1 ZINC001170522066 1080495491 /nfs/dbraw/zinc/49/54/91/1080495491.db2.gz WFBQJOQCSUIHOC-UHFFFAOYSA-N 1 1 408.458 2.548 20 0 HFADMO Cc1ccc(Cl)c(OCC(=O)OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000807312850 1080506622 /nfs/dbraw/zinc/50/66/22/1080506622.db2.gz UUSNTFQKLWISIE-UHFFFAOYSA-N 1 1 416.905 2.915 20 0 HFADMO O=C(COc1cccc(Cl)c1)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000807318849 1080512406 /nfs/dbraw/zinc/51/24/06/1080512406.db2.gz LBOJYPKLCIPUBB-UHFFFAOYSA-N 1 1 402.878 2.606 20 0 HFADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)[C@H](C)C1 ZINC000807318794 1080512429 /nfs/dbraw/zinc/51/24/29/1080512429.db2.gz JUBBBTBFIQGKCA-QGZVFWFLSA-N 1 1 414.550 2.582 20 0 HFADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)[C@H](C)C1 ZINC000807318794 1080512434 /nfs/dbraw/zinc/51/24/34/1080512434.db2.gz JUBBBTBFIQGKCA-QGZVFWFLSA-N 1 1 414.550 2.582 20 0 HFADMO Cc1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(N(C)C)n1 ZINC000807354760 1080516857 /nfs/dbraw/zinc/51/68/57/1080516857.db2.gz JITPJEYMFDZJDA-XMMPIXPASA-N 1 1 421.545 2.519 20 0 HFADMO Cc1csc([C@H](C)CNC(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000807350879 1080556927 /nfs/dbraw/zinc/55/69/27/1080556927.db2.gz VQVAQXTWHKORSH-OPAMFIHVSA-N 1 1 414.575 2.700 20 0 HFADMO CNC(=O)Oc1cccc(OC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC001130932630 1080578585 /nfs/dbraw/zinc/57/85/85/1080578585.db2.gz NMSALWBVWGYGET-RTBURBONSA-N 1 1 400.479 2.558 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1 ZINC000807431612 1080591446 /nfs/dbraw/zinc/59/14/46/1080591446.db2.gz AGSDODXLDLWKNB-VFNWGFHPSA-N 1 1 405.926 2.935 20 0 HFADMO Cc1cc(NC(=O)C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)cnc1Br ZINC000807413821 1080611754 /nfs/dbraw/zinc/61/17/54/1080611754.db2.gz WJBFAXKGUCPSIN-UHFFFAOYSA-N 1 1 423.311 2.665 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)cn1 ZINC000807537954 1080753049 /nfs/dbraw/zinc/75/30/49/1080753049.db2.gz KGKLMCMXTZNRJN-RBUKOAKNSA-N 1 1 419.485 2.877 20 0 HFADMO C[C@@H]1[C@@H](NC(=O)C(=O)Nc2cccc(C(F)(F)F)n2)CC[N@H+]1Cc1ccccc1 ZINC000807543308 1080758725 /nfs/dbraw/zinc/75/87/25/1080758725.db2.gz FINOVWVNOVGCGZ-HIFRSBDPSA-N 1 1 406.408 2.818 20 0 HFADMO C[C@@H]1[C@@H](NC(=O)C(=O)Nc2ccc(Br)nc2)CC[N@H+]1Cc1ccccc1 ZINC000807542861 1080759433 /nfs/dbraw/zinc/75/94/33/1080759433.db2.gz FVTDJTTYNGMSJB-CJNGLKHVSA-N 1 1 417.307 2.562 20 0 HFADMO C[C@@H]1[C@H](NC(=O)C(=O)Nc2cccnc2Br)CC[N@H+]1Cc1ccccc1 ZINC000807544737 1080761455 /nfs/dbraw/zinc/76/14/55/1080761455.db2.gz ZSNXODSCCHEPAL-UKRRQHHQSA-N 1 1 417.307 2.562 20 0 HFADMO COc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)c(C)c1OC ZINC000807524409 1080776221 /nfs/dbraw/zinc/77/62/21/1080776221.db2.gz TWILTMJYHWYQER-AWEZNQCLSA-N 1 1 423.473 2.717 20 0 HFADMO COC(=O)N1CCC(CNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000807524948 1080777551 /nfs/dbraw/zinc/77/75/51/1080777551.db2.gz QJAFNRLKBDURQQ-HXUWFJFHSA-N 1 1 402.539 2.771 20 0 HFADMO CC[N@H+]1CC[C@H](N(C)C(=O)CCN2C(=S)N=NC2c2ccc(OC)cc2)[C@H](C)C1 ZINC000747406068 1080792799 /nfs/dbraw/zinc/79/27/99/1080792799.db2.gz WFDKAPWNYQQGNQ-QAPCUYQASA-N 1 1 417.579 2.821 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000807555877 1080806946 /nfs/dbraw/zinc/80/69/46/1080806946.db2.gz IGPJJCBNSWKFGZ-IAGOWNOFSA-N 1 1 406.958 2.773 20 0 HFADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC2)COCC(=O)N3)n1 ZINC001164424829 718935044 /nfs/dbraw/zinc/93/50/44/718935044.db2.gz QMGRVBJRTPVBFY-UHFFFAOYSA-N 1 1 417.579 2.635 20 0 HFADMO Cc1[nH+]cc2n1CCN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCC4)C2 ZINC001164440381 718991561 /nfs/dbraw/zinc/99/15/61/718991561.db2.gz MWTYGCHFJWMYMK-UHFFFAOYSA-N 1 1 410.547 2.537 20 0 HFADMO CCOC(=O)c1nnc(SC)nc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164620999 719068964 /nfs/dbraw/zinc/06/89/64/719068964.db2.gz FYGPYYRJISNVMG-IRXDYDNUSA-N 1 1 413.547 2.871 20 0 HFADMO CCOC(=O)c1nnc(SC)nc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164620998 719069420 /nfs/dbraw/zinc/06/94/20/719069420.db2.gz FYGPYYRJISNVMG-IAGOWNOFSA-N 1 1 413.547 2.871 20 0 HFADMO O=S1(=O)CCc2nc(Cl)nc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c21 ZINC001164623387 719111143 /nfs/dbraw/zinc/11/11/43/719111143.db2.gz CQCAFFCISQLSHR-NVXWUHKLSA-N 1 1 418.950 2.561 20 0 HFADMO O=S1(=O)CCc2nc(Cl)nc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c21 ZINC001164623387 719111146 /nfs/dbraw/zinc/11/11/46/719111146.db2.gz CQCAFFCISQLSHR-NVXWUHKLSA-N 1 1 418.950 2.561 20 0 HFADMO C[C@@H]1CN([C@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3N(C)C2=O)[C@@H](C)C[N@@H+]1C ZINC001164642550 719230278 /nfs/dbraw/zinc/23/02/78/719230278.db2.gz WMPWERBEDPODFH-LAPQFRIASA-N 1 1 424.952 2.546 20 0 HFADMO C[C@@H]1CN([C@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3N(C)C2=O)[C@@H](C)C[N@H+]1C ZINC001164642550 719230280 /nfs/dbraw/zinc/23/02/80/719230280.db2.gz WMPWERBEDPODFH-LAPQFRIASA-N 1 1 424.952 2.546 20 0 HFADMO C[NH+]1CCC(Oc2ccnc(N3CCO[C@@H]4[C@@H](OCc5ccncc5)CC[C@@H]43)c2)CC1 ZINC001164655114 719295274 /nfs/dbraw/zinc/29/52/74/719295274.db2.gz SGZWEKXWFRAMJG-FIXSFTCYSA-N 1 1 424.545 2.903 20 0 HFADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(-n4cncn4)nc(C)n2)CC3)cs1 ZINC001164692637 719815862 /nfs/dbraw/zinc/81/58/62/719815862.db2.gz QCUGRPACPFWIFA-UHFFFAOYSA-N 1 1 410.551 2.766 20 0 HFADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc2cc(OC)c(F)cc21 ZINC001164706102 719877814 /nfs/dbraw/zinc/87/78/14/719877814.db2.gz OTGUGDWATLSZDL-OPAMFIHVSA-N 1 1 417.481 2.615 20 0 HFADMO CCOC(=O)c1cnc(C)nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694589 719889592 /nfs/dbraw/zinc/88/95/92/719889592.db2.gz AIJKIWDMZCEZPR-UHFFFAOYSA-N 1 1 416.547 2.895 20 0 HFADMO CCOC(=O)c1cnc(C)nc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164694589 719889593 /nfs/dbraw/zinc/88/95/93/719889593.db2.gz AIJKIWDMZCEZPR-UHFFFAOYSA-N 1 1 416.547 2.895 20 0 HFADMO CCOC(=O)Cc1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nn1 ZINC001164697666 719896549 /nfs/dbraw/zinc/89/65/49/719896549.db2.gz MVPXACPQKFVXBT-UHFFFAOYSA-N 1 1 416.547 2.515 20 0 HFADMO CCOC(=O)c1nccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164705862 719899549 /nfs/dbraw/zinc/89/95/49/719899549.db2.gz DTVXRLQUIRGZEL-UHFFFAOYSA-N 1 1 402.520 2.586 20 0 HFADMO CON(C)C(=O)c1ccnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164706922 719901897 /nfs/dbraw/zinc/90/18/97/719901897.db2.gz LTADAYZUJLFIMX-UHFFFAOYSA-N 1 1 416.547 2.648 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@@H](NC(=O)c2cnccn2)[C@@H]2OCCC[C@H]2C1 ZINC001164710000 720056927 /nfs/dbraw/zinc/05/69/27/720056927.db2.gz CVVGIYZUKHJBDM-POZUXBRTSA-N 1 1 415.925 2.670 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H](NC(=O)c2cnccn2)[C@@H]2OCCC[C@H]2C1 ZINC001164710000 720056929 /nfs/dbraw/zinc/05/69/29/720056929.db2.gz CVVGIYZUKHJBDM-POZUXBRTSA-N 1 1 415.925 2.670 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc3cc(C(=O)OC)ccc3n1)C2 ZINC001164812315 720083396 /nfs/dbraw/zinc/08/33/96/720083396.db2.gz QOOJAZSQNRLYPZ-CVDCTZTESA-N 1 1 410.518 2.601 20 0 HFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)N(C)C)cn1)CC2 ZINC001164714294 720112666 /nfs/dbraw/zinc/11/26/66/720112666.db2.gz BOWCDUYQHKAJOD-OAQYLSRUSA-N 1 1 423.561 2.686 20 0 HFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(CC(=O)OC)n1)CC2 ZINC001164717365 720115452 /nfs/dbraw/zinc/11/54/52/720115452.db2.gz NRJPOCKONFJHKB-OAQYLSRUSA-N 1 1 424.545 2.700 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(C(=O)NC(C)(C)C)cn1)C2 ZINC001164810048 720117714 /nfs/dbraw/zinc/11/77/14/720117714.db2.gz JIHCVVRZMUAMKH-WMZHIEFXSA-N 1 1 400.567 2.795 20 0 HFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(NC(C)=O)n1)CC2 ZINC001164715503 720118032 /nfs/dbraw/zinc/11/80/32/720118032.db2.gz GNUWFYKRGMHDBB-HXUWFJFHSA-N 1 1 409.534 2.943 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3nc(SC)sc31)C2 ZINC001164809712 720146513 /nfs/dbraw/zinc/14/65/13/720146513.db2.gz IJUCCVHRTNGWLM-LIRRHRJNSA-N 1 1 405.593 2.993 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3nc(SC)sc31)C2 ZINC001164809711 720147031 /nfs/dbraw/zinc/14/70/31/720147031.db2.gz IJUCCVHRTNGWLM-KUHUBIRLSA-N 1 1 405.593 2.993 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)nc1OC)C2 ZINC001164819727 720155670 /nfs/dbraw/zinc/15/56/70/720155670.db2.gz XXDQHMCEZXGRSG-KDOFPFPSSA-N 1 1 416.900 2.868 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc4cc(F)ccc43)C2)C1 ZINC001164717856 720210769 /nfs/dbraw/zinc/21/07/69/720210769.db2.gz JSHLYOVCXDYRKX-NRFANRHFSA-N 1 1 420.916 2.692 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc4cc(F)ccc43)C2)C1 ZINC001164717856 720210776 /nfs/dbraw/zinc/21/07/76/720210776.db2.gz JSHLYOVCXDYRKX-NRFANRHFSA-N 1 1 420.916 2.692 20 0 HFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3[nH]c4ccccc4c31)CCC2 ZINC001164812772 720225248 /nfs/dbraw/zinc/22/52/48/720225248.db2.gz IWWVIRBZQLTEIB-UHFFFAOYSA-N 1 1 417.517 2.918 20 0 HFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccnc(Cc3ccccc3)n1)CCC2 ZINC001164813422 720240282 /nfs/dbraw/zinc/24/02/82/720240282.db2.gz OBVHRBPEHSDFAU-UHFFFAOYSA-N 1 1 418.545 2.875 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc4c(Cl)cccc43)C2)C1 ZINC001164718266 720244330 /nfs/dbraw/zinc/24/43/30/720244330.db2.gz DDUUAMASKYBYIH-NRFANRHFSA-N 1 1 402.926 2.553 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccc4c(Cl)cccc43)C2)C1 ZINC001164718266 720244339 /nfs/dbraw/zinc/24/43/39/720244339.db2.gz DDUUAMASKYBYIH-NRFANRHFSA-N 1 1 402.926 2.553 20 0 HFADMO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)n1 ZINC001164721948 720303089 /nfs/dbraw/zinc/30/30/89/720303089.db2.gz JCVHRQMMQCYHKR-VFNWGFHPSA-N 1 1 423.989 2.617 20 0 HFADMO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)n1 ZINC001164721948 720303100 /nfs/dbraw/zinc/30/31/00/720303100.db2.gz JCVHRQMMQCYHKR-VFNWGFHPSA-N 1 1 423.989 2.617 20 0 HFADMO O=C1NCCc2[nH]c(-c3ccnc(N4CC[C@@H]5[C@H]4CC[N@H+]5Cc4cccnc4)c3)cc21 ZINC001164729037 720377047 /nfs/dbraw/zinc/37/70/47/720377047.db2.gz UVEACVQTJRYQPR-FGZHOGPDSA-N 1 1 414.513 2.611 20 0 HFADMO COc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1NC(C)C ZINC001164839377 720504422 /nfs/dbraw/zinc/50/44/22/720504422.db2.gz SZYXKJQZMVOUEJ-IPMKNSEASA-N 1 1 413.570 2.880 20 0 HFADMO CSc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164832797 720524219 /nfs/dbraw/zinc/52/42/19/720524219.db2.gz BKNVRJMFMVCRLV-RBSFLKMASA-N 1 1 407.975 2.821 20 0 HFADMO CCCNC(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164843125 720603383 /nfs/dbraw/zinc/60/33/83/720603383.db2.gz WMUDOBWSZRNMLA-QKNQBKEWSA-N 1 1 410.566 2.796 20 0 HFADMO CC(C)n1cnc2cnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc21 ZINC001164837227 720607601 /nfs/dbraw/zinc/60/76/01/720607601.db2.gz HRGKTIIXEKXQEJ-WSTZPKSXSA-N 1 1 408.554 2.982 20 0 HFADMO Cc1cc2c(nc(Cl)nc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)s1 ZINC001164740081 720666075 /nfs/dbraw/zinc/66/60/75/720666075.db2.gz PPCKHFBNVAJARI-STQMWFEESA-N 1 1 402.911 2.785 20 0 HFADMO Clc1nc2c(c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n1)CCCCC2 ZINC001164740629 720687330 /nfs/dbraw/zinc/68/73/30/720687330.db2.gz REFJJAXGGDAHKR-LSDHHAIUSA-N 1 1 400.914 2.531 20 0 HFADMO C[C@@H]1CCc2c(sc3ncnc(N4CC[N@H+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)c23)C1 ZINC001164738526 720691836 /nfs/dbraw/zinc/69/18/36/720691836.db2.gz KJAOLLURKSPJHH-PMPSAXMXSA-N 1 1 422.558 2.948 20 0 HFADMO COCc1nc(OC)cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164837656 720725855 /nfs/dbraw/zinc/72/58/55/720725855.db2.gz FULAGWVFOLONTJ-LJQANCHMSA-N 1 1 412.534 2.892 20 0 HFADMO Clc1cc(Cc2ccccc2)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164743493 720739332 /nfs/dbraw/zinc/73/93/32/720739332.db2.gz QMQGGYAPOSSDTC-RBUKOAKNSA-N 1 1 422.920 2.853 20 0 HFADMO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742167 720744171 /nfs/dbraw/zinc/74/41/71/720744171.db2.gz NPQXETIAGURUAG-KGLIPLIRSA-N 1 1 420.851 2.893 20 0 HFADMO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742167 720744183 /nfs/dbraw/zinc/74/41/83/720744183.db2.gz NPQXETIAGURUAG-KGLIPLIRSA-N 1 1 420.851 2.893 20 0 HFADMO CC(C)n1ccc2c1nc(Cl)nc2N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741473 720749831 /nfs/dbraw/zinc/74/98/31/720749831.db2.gz MRVWXMIDTUCESH-CABCVRRESA-N 1 1 413.913 2.798 20 0 HFADMO CCc1ccc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1 ZINC001164738041 720780809 /nfs/dbraw/zinc/78/08/09/720780809.db2.gz DOLQXZACYIMAPQ-WOJBJXKFSA-N 1 1 402.502 2.838 20 0 HFADMO c1ccc(SCc2nccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164749816 720802178 /nfs/dbraw/zinc/80/21/78/720802178.db2.gz UOQVMYZWOQSLHL-ZWKOTPCHSA-N 1 1 420.542 2.901 20 0 HFADMO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1NC(C)C ZINC001164741347 720808005 /nfs/dbraw/zinc/80/80/05/720808005.db2.gz BBDKKKHJGGEDQR-SLFFLAALSA-N 1 1 410.570 2.576 20 0 HFADMO FC(F)(c1cc(Cl)ncn1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748269 720808891 /nfs/dbraw/zinc/80/88/91/720808891.db2.gz QFOGFWFBJYYLQA-HRCADAONSA-N 1 1 423.899 2.646 20 0 HFADMO CCOC(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1C ZINC001164743365 720809738 /nfs/dbraw/zinc/80/97/38/720809738.db2.gz FQUFLADRYJMKPI-IRFCIJBXSA-N 1 1 424.549 2.538 20 0 HFADMO Cc1csc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164744897 720809905 /nfs/dbraw/zinc/80/99/05/720809905.db2.gz JLIZYSPLFWUCOR-KZNAEPCWSA-N 1 1 409.563 2.971 20 0 HFADMO Clc1cc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1 ZINC001164747762 720813403 /nfs/dbraw/zinc/81/34/03/720813403.db2.gz PHHKMSUZXOPRMH-SQWLQELKSA-N 1 1 408.337 2.754 20 0 HFADMO Clc1nc2ncccc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164738002 720816427 /nfs/dbraw/zinc/81/64/27/720816427.db2.gz DHYDRHWPOWUTLL-JFIYKMOQSA-N 1 1 424.940 2.649 20 0 HFADMO COc1nc2ccccc2nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740295 720818476 /nfs/dbraw/zinc/81/84/76/720818476.db2.gz KBGWWJFCCMEIHB-DBXWQHBBSA-N 1 1 419.533 2.609 20 0 HFADMO Cc1ccc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164741434 720818985 /nfs/dbraw/zinc/81/89/85/720818985.db2.gz NVPJCHBXBYKRRT-NNMXDRDESA-N 1 1 403.534 2.909 20 0 HFADMO Fc1cccc2c1ncnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744113 720824908 /nfs/dbraw/zinc/82/49/08/720824908.db2.gz UFOZGCJJKCGVEA-FUHIMQAGSA-N 1 1 407.497 2.740 20 0 HFADMO COc1ccc2c(c1)ncnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743992 720828482 /nfs/dbraw/zinc/82/84/82/720828482.db2.gz TVUZPRUGUUMLSG-JBYIUTFZSA-N 1 1 419.533 2.609 20 0 HFADMO COc1ccc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164746749 720829353 /nfs/dbraw/zinc/82/93/53/720829353.db2.gz YTZZNGVYZJXHDE-XYJFISCASA-N 1 1 402.930 2.715 20 0 HFADMO Clc1cc(C2CC2)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164740735 720830815 /nfs/dbraw/zinc/83/08/15/720830815.db2.gz LCYMJTTVWCPFBO-JENIJYKNSA-N 1 1 413.957 2.978 20 0 HFADMO CCOC(=O)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1C ZINC001164739530 720832335 /nfs/dbraw/zinc/83/23/35/720832335.db2.gz AZFAVATVKOILMC-IRFCIJBXSA-N 1 1 424.549 2.538 20 0 HFADMO Fc1ccc2cnnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164751902 720832430 /nfs/dbraw/zinc/83/24/30/720832430.db2.gz ZMJMBDZLGBXYGD-YFVAEKQCSA-N 1 1 407.497 2.740 20 0 HFADMO Fc1cccc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164749407 720832918 /nfs/dbraw/zinc/83/29/18/720832918.db2.gz VTQLIFZSEYGIGP-MBOZVWFJSA-N 1 1 407.497 2.740 20 0 HFADMO COc1ccc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739337 720833101 /nfs/dbraw/zinc/83/31/01/720833101.db2.gz AAVBSKWGVRNVOJ-GVDBMIGSSA-N 1 1 402.930 2.715 20 0 HFADMO CCCSc1cncc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164741927 720851044 /nfs/dbraw/zinc/85/10/44/720851044.db2.gz FYHQKDDLORPSKP-GBESFXJTSA-N 1 1 413.595 2.950 20 0 HFADMO c1coc(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)c1 ZINC001164751130 720851806 /nfs/dbraw/zinc/85/18/06/720851806.db2.gz QGEYEIJNTXMTHY-QWFCFKBJSA-N 1 1 405.506 2.708 20 0 HFADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(-c5ccncc5)nn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164748128 720852168 /nfs/dbraw/zinc/85/21/68/720852168.db2.gz KJLRMVUCPRBVCR-RZUBCFFCSA-N 1 1 416.533 2.510 20 0 HFADMO C[C@@H]1CCc2nnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc2C1 ZINC001164744603 720855433 /nfs/dbraw/zinc/85/54/33/720855433.db2.gz BXHNMKGDZCURLB-CJXUKZFBSA-N 1 1 407.566 2.572 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3cncc(Oc4cccc(F)c4)n3)CC[C@H]2C1 ZINC001164851552 720866257 /nfs/dbraw/zinc/86/62/57/720866257.db2.gz AVXPYKVBEINSJQ-QFBILLFUSA-N 1 1 402.470 2.582 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nccc(Oc4cccc(F)c4)n3)CC[C@H]2C1 ZINC001164854532 720869378 /nfs/dbraw/zinc/86/93/78/720869378.db2.gz KJQIJAOYARURGI-LPHOPBHVSA-N 1 1 402.470 2.582 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)CC[C@H]2C1 ZINC001164859501 720869890 /nfs/dbraw/zinc/86/98/90/720869890.db2.gz UDRGOAXXCBEGIJ-LSDHHAIUSA-N 1 1 414.884 2.935 20 0 HFADMO COc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164752203 720873304 /nfs/dbraw/zinc/87/33/04/720873304.db2.gz MACFQAODVGTOEK-OFNKIYASSA-N 1 1 409.534 2.635 20 0 HFADMO CN(C)c1cncc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753315 720873943 /nfs/dbraw/zinc/87/39/43/720873943.db2.gz OZJXGRMOWVZCSI-URXFXBBRSA-N 1 1 422.577 2.693 20 0 HFADMO COc1cncc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747255 720877011 /nfs/dbraw/zinc/87/70/11/720877011.db2.gz AXYMUADAKMDMTL-OFNKIYASSA-N 1 1 409.534 2.635 20 0 HFADMO COc1cncc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164747257 720877349 /nfs/dbraw/zinc/87/73/49/720877349.db2.gz AXYMUADAKMDMTL-REWPJTCUSA-N 1 1 409.534 2.635 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3cc(C)nc(-c4ccc(Cl)nc4)n3)CC[C@@H]2C1 ZINC001164865242 720886200 /nfs/dbraw/zinc/88/62/00/720886200.db2.gz ZCQSGXVTWNXMCQ-MSOLQXFVSA-N 1 1 417.941 2.674 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3ncc(C)c(-c4ccccc4F)n3)CC[C@H]2C1 ZINC001164857446 720888770 /nfs/dbraw/zinc/88/87/70/720888770.db2.gz JRYPARYJKZXBBN-PXNSSMCTSA-N 1 1 400.498 2.765 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCC4)CC[C@@H]2C1 ZINC001164856911 720893255 /nfs/dbraw/zinc/89/32/55/720893255.db2.gz HYCCGMIYTUZOHP-KDOFPFPSSA-N 1 1 415.912 2.942 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@@H]2CO[C@@H](CNC(=O)c3ccno3)[C@@H]2C1 ZINC001164859137 720914772 /nfs/dbraw/zinc/91/47/72/720914772.db2.gz OZAVSSRIDUXKDV-UNEWFSDZSA-N 1 1 404.898 2.725 20 0 HFADMO CCOc1ccc(C(=O)OC)c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164863536 720971463 /nfs/dbraw/zinc/97/14/63/720971463.db2.gz WBERKGWTCDHROO-OAHLLOKOSA-N 1 1 401.511 2.885 20 0 HFADMO FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164861114 721033714 /nfs/dbraw/zinc/03/37/14/721033714.db2.gz BZKDOQHZBRMYEX-UHFFFAOYSA-N 1 1 418.839 2.660 20 0 HFADMO CCOC(=O)c1cnc(Cl)cc1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164773495 721073258 /nfs/dbraw/zinc/07/32/58/721073258.db2.gz XJMRZGPHBCQVPV-HZPDHXFCSA-N 1 1 403.914 2.604 20 0 HFADMO COC(=O)c1ccc2c(ccnc2N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164866372 721076315 /nfs/dbraw/zinc/07/63/15/721076315.db2.gz SVVKXAPECARKES-RTWAWAEBSA-N 1 1 418.497 2.896 20 0 HFADMO CCOC(=O)c1c(Cl)cc(C)nc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164773481 721078337 /nfs/dbraw/zinc/07/83/37/721078337.db2.gz XJMAVXDKLKHMII-DLBZAZTESA-N 1 1 417.941 2.912 20 0 HFADMO CCOC(=O)c1c(Cl)cc(C)nc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164773486 721078506 /nfs/dbraw/zinc/07/85/06/721078506.db2.gz XJMAVXDKLKHMII-IRXDYDNUSA-N 1 1 417.941 2.912 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncccc4C(=O)NC4CCCCC4)C[C@@H]3C2)cn1 ZINC001164761066 721083489 /nfs/dbraw/zinc/08/34/89/721083489.db2.gz AOILROVWJLRRHZ-PMACEKPBSA-N 1 1 422.577 2.836 20 0 HFADMO COc1cc(C(F)(F)N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc(Cl)n1 ZINC001164772022 721084925 /nfs/dbraw/zinc/08/49/25/721084925.db2.gz SXBISRLBIHNUAK-LSDHHAIUSA-N 1 1 411.884 2.980 20 0 HFADMO c1ccc(COc2cnnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2)cc1 ZINC001164864835 721102078 /nfs/dbraw/zinc/10/20/78/721102078.db2.gz GSBWWHNFGNWDEB-FYYLOGMGSA-N 1 1 417.513 2.930 20 0 HFADMO COc1ccc2nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc(C)c2c1 ZINC001164864665 721102986 /nfs/dbraw/zinc/10/29/86/721102986.db2.gz GNUDMWMKGFOJHW-ICSRJNTNSA-N 1 1 405.502 2.822 20 0 HFADMO COC(=O)c1ccc2ccnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c2c1 ZINC001164764816 721113073 /nfs/dbraw/zinc/11/30/73/721113073.db2.gz IBXVCDASRWVIQM-PMACEKPBSA-N 1 1 405.502 2.713 20 0 HFADMO CSc1nc2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2s1 ZINC001164863341 721116935 /nfs/dbraw/zinc/11/69/35/721116935.db2.gz BZHHWAQQQIXZSI-HUUCEWRRSA-N 1 1 414.560 2.683 20 0 HFADMO COc1ccc(C(F)(F)N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nc1Cl ZINC001164773724 721151481 /nfs/dbraw/zinc/15/14/81/721151481.db2.gz YUXFDCKEWWSVSA-GJZGRUSLSA-N 1 1 411.884 2.980 20 0 HFADMO CC(C)n1cnc2c1nc(Cl)nc2N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164763411 721171494 /nfs/dbraw/zinc/17/14/94/721171494.db2.gz FVHHGPSHEUJJBL-JKSUJKDBSA-N 1 1 414.945 2.752 20 0 HFADMO CN(C)c1ccc(-c2ccnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)cc1 ZINC001164774372 721179963 /nfs/dbraw/zinc/17/99/63/721179963.db2.gz YTAOVMDRVMRVRI-LEWJYISDSA-N 1 1 417.561 2.901 20 0 HFADMO CCCSc1ncnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1OC ZINC001164866455 721189068 /nfs/dbraw/zinc/18/90/68/721189068.db2.gz ASRWUTOCDKSWDX-ROUUACIJSA-N 1 1 415.563 2.862 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc5ccccc5nc4N4CCCC4)C[C@@H]3C2)cn1 ZINC001164774383 721190076 /nfs/dbraw/zinc/19/00/76/721190076.db2.gz YTENAAAQOKBASX-PMACEKPBSA-N 1 1 417.561 2.922 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@@]2(C1)C[C@@H](NC(=O)c1cnccn1)CCO2 ZINC001164870754 721217341 /nfs/dbraw/zinc/21/73/41/721217341.db2.gz HNSJMAIKESICEZ-KKSFZXQISA-N 1 1 415.925 2.814 20 0 HFADMO Cc1nc(C)c(-c2ccc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nn2)s1 ZINC001164761885 721229024 /nfs/dbraw/zinc/22/90/24/721229024.db2.gz JSAONBFECJYINF-ZWKOTPCHSA-N 1 1 409.563 2.909 20 0 HFADMO COc1cc2nc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)ccc2c(OC)c1 ZINC001164768082 721234237 /nfs/dbraw/zinc/23/42/37/721234237.db2.gz XVZICBHFMKWMEA-QZTJIDSGSA-N 1 1 407.518 2.944 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)cc(-c5ccncc5)n4)C[C@@H]3C2)cn1 ZINC001164759523 721239079 /nfs/dbraw/zinc/23/90/79/721239079.db2.gz ARTCWASUJRNOKV-ROUUACIJSA-N 1 1 409.925 2.884 20 0 HFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(Cl)nc4ccccc43)CC2)C1 ZINC001164878282 721260999 /nfs/dbraw/zinc/26/09/99/721260999.db2.gz UDWGKABPGXTTDU-UHFFFAOYSA-N 1 1 416.953 2.895 20 0 HFADMO Cc1cccc(N(c2cccc(N3CCN(C)CC3)n2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164778008 721329844 /nfs/dbraw/zinc/32/98/44/721329844.db2.gz SNYORAPQTGBRCQ-QPPBQGQZSA-N 1 1 407.562 2.801 20 0 HFADMO Cc1c[nH]c2ncnc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c12 ZINC001164778422 721330611 /nfs/dbraw/zinc/33/06/11/721330611.db2.gz WEMZWTZFTUXMKZ-JOCHJYFZSA-N 1 1 410.522 2.990 20 0 HFADMO CCOc1nccc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164776207 721352678 /nfs/dbraw/zinc/35/26/78/721352678.db2.gz ALGWMUFKUVDEFG-OAQYLSRUSA-N 1 1 401.511 2.599 20 0 HFADMO CCOc1nccc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164776207 721352682 /nfs/dbraw/zinc/35/26/82/721352682.db2.gz ALGWMUFKUVDEFG-OAQYLSRUSA-N 1 1 401.511 2.599 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)nc4c3CCC4)C2)C1 ZINC001164779928 721362221 /nfs/dbraw/zinc/36/22/21/721362221.db2.gz ASMKHBCGAZCNGF-HSZRJFAPSA-N 1 1 411.550 2.998 20 0 HFADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)nc1 ZINC001164886787 721373789 /nfs/dbraw/zinc/37/37/89/721373789.db2.gz NXGHNHVKKFEKMS-NZQKXSOJSA-N 1 1 408.550 2.995 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccccc5)nn4)C3)O2)CC1 ZINC001164889208 721391881 /nfs/dbraw/zinc/39/18/81/721391881.db2.gz KXLOLHOPNWCCHS-ZJSXRUAMSA-N 1 1 407.562 2.909 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cnc4Cl)C3)O2)CC1 ZINC001164884003 721407089 /nfs/dbraw/zinc/40/70/89/721407089.db2.gz CUCRECPWUKMOAD-KSSFIOAISA-N 1 1 400.354 2.549 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN([C@H](F)Oc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164883900 721411383 /nfs/dbraw/zinc/41/13/83/721411383.db2.gz CLLCQBKQQKFCMI-IHPCNDPISA-N 1 1 412.937 2.628 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5ncsc54)C3)O2)CC1 ZINC001164886559 721413329 /nfs/dbraw/zinc/41/33/29/721413329.db2.gz JXJOEVZWTHZOTG-LIRRHRJNSA-N 1 1 422.986 2.505 20 0 HFADMO CSc1ncc(Cl)nc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164895783 721431085 /nfs/dbraw/zinc/43/10/85/721431085.db2.gz PLILZNPFQGAQJK-KXBFYZLASA-N 1 1 412.003 2.617 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(COC)nc(C)n1)CC2 ZINC001164783697 721457854 /nfs/dbraw/zinc/45/78/54/721457854.db2.gz FNIYVJGNMHAGKP-OAQYLSRUSA-N 1 1 418.582 2.665 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(SC)cn1)CC2 ZINC001164790070 721461782 /nfs/dbraw/zinc/46/17/82/721461782.db2.gz ZKSBEEKDZOGZOR-SFHVURJKSA-N 1 1 406.596 2.932 20 0 HFADMO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164793165 721491525 /nfs/dbraw/zinc/49/15/25/721491525.db2.gz OIFOZHYPYJTJFH-UHFFFAOYSA-N 1 1 420.517 2.972 20 0 HFADMO COC(=O)c1cc2c(ncnc2N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)[nH]1 ZINC001164793165 721491527 /nfs/dbraw/zinc/49/15/27/721491527.db2.gz OIFOZHYPYJTJFH-UHFFFAOYSA-N 1 1 420.517 2.972 20 0 HFADMO COC(=O)c1cc2c(ncnc2N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)[nH]1 ZINC001164793165 721491528 /nfs/dbraw/zinc/49/15/28/721491528.db2.gz OIFOZHYPYJTJFH-UHFFFAOYSA-N 1 1 420.517 2.972 20 0 HFADMO CCOC(=O)Cc1cnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc1 ZINC001164793029 721496822 /nfs/dbraw/zinc/49/68/22/721496822.db2.gz ZWNTVQVHNPIMRL-UHFFFAOYSA-N 1 1 409.534 2.858 20 0 HFADMO CCOC(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1C ZINC001164795626 721525809 /nfs/dbraw/zinc/52/58/09/721525809.db2.gz PKEHRJRFLLQEDI-URVUXULASA-N 1 1 410.518 2.830 20 0 HFADMO CCOC(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1C ZINC001164795626 721525812 /nfs/dbraw/zinc/52/58/12/721525812.db2.gz PKEHRJRFLLQEDI-URVUXULASA-N 1 1 410.518 2.830 20 0 HFADMO CC(C)(C)C(=O)Nc1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nn1 ZINC001164912352 721532626 /nfs/dbraw/zinc/53/26/26/721532626.db2.gz YZUWCPSIEGBXOX-WMZOPIPTSA-N 1 1 413.497 2.942 20 0 HFADMO CSc1nc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164806010 721542105 /nfs/dbraw/zinc/54/21/05/721542105.db2.gz NFNPQRVSSXEPNP-ILXRZTDVSA-N 1 1 406.943 2.510 20 0 HFADMO CSc1nc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164806010 721542112 /nfs/dbraw/zinc/54/21/12/721542112.db2.gz NFNPQRVSSXEPNP-ILXRZTDVSA-N 1 1 406.943 2.510 20 0 HFADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4ncc5ncnc(Cl)c5n4)CC[N@H+]3C2)c1 ZINC001164910235 721545106 /nfs/dbraw/zinc/54/51/06/721545106.db2.gz TVTXTXYRQDWBPX-ZFWWWQNUSA-N 1 1 400.845 2.554 20 0 HFADMO COC(=O)c1cc(F)c(C)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164801067 721555168 /nfs/dbraw/zinc/55/51/68/721555168.db2.gz GHYVULOVVSCDKM-AABGKKOBSA-N 1 1 414.481 2.579 20 0 HFADMO COC(=O)c1cc(F)c(C)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164801067 721555171 /nfs/dbraw/zinc/55/51/71/721555171.db2.gz GHYVULOVVSCDKM-AABGKKOBSA-N 1 1 414.481 2.579 20 0 HFADMO COc1ccc2ncc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc2c1 ZINC001164805821 721555382 /nfs/dbraw/zinc/55/53/82/721555382.db2.gz OYBJGXKSPCDCKQ-QNWVGRARSA-N 1 1 405.502 2.902 20 0 HFADMO COc1ccc2ncc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc2c1 ZINC001164805821 721555384 /nfs/dbraw/zinc/55/53/84/721555384.db2.gz OYBJGXKSPCDCKQ-QNWVGRARSA-N 1 1 405.502 2.902 20 0 HFADMO NC(=O)c1cc2ccccc2c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164904652 721557762 /nfs/dbraw/zinc/55/77/62/721557762.db2.gz FBIKUPNDWSYHSJ-IEBWSBKVSA-N 1 1 406.461 2.815 20 0 HFADMO CCOC(=O)c1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ncc1C ZINC001164801808 721559366 /nfs/dbraw/zinc/55/93/66/721559366.db2.gz HHNVYNMBASBMBY-RZUBCFFCSA-N 1 1 410.518 2.830 20 0 HFADMO COc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc2ccccc21 ZINC001164799640 721561925 /nfs/dbraw/zinc/56/19/25/721561925.db2.gz CZPMDLLDBLPKPQ-PCCBWWKXSA-N 1 1 405.502 2.902 20 0 HFADMO COc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc2ccccc21 ZINC001164799640 721561928 /nfs/dbraw/zinc/56/19/28/721561928.db2.gz CZPMDLLDBLPKPQ-PCCBWWKXSA-N 1 1 405.502 2.902 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cncc(Cl)n2)[C@H]2CCCO[C@H]12 ZINC001164805831 721570055 /nfs/dbraw/zinc/57/00/55/721570055.db2.gz PAPUELNOZCYFMP-DAYGRLMNSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cncc(Cl)n2)[C@H]2CCCO[C@H]12 ZINC001164805831 721570057 /nfs/dbraw/zinc/57/00/57/721570057.db2.gz PAPUELNOZCYFMP-DAYGRLMNSA-N 1 1 409.868 2.938 20 0 HFADMO COC(OC)c1cc(C)cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164807308 721570468 /nfs/dbraw/zinc/57/04/68/721570468.db2.gz SOYSFHUCQNFGCV-PCCBWWKXSA-N 1 1 412.534 2.945 20 0 HFADMO COc1nnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c2ccccc21 ZINC001164805812 721577148 /nfs/dbraw/zinc/57/71/48/721577148.db2.gz OXWCSXGMOKJACE-QHAWAJNXSA-N 1 1 405.502 2.902 20 0 HFADMO COc1nnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c2ccccc21 ZINC001164805812 721577149 /nfs/dbraw/zinc/57/71/49/721577149.db2.gz OXWCSXGMOKJACE-QHAWAJNXSA-N 1 1 405.502 2.902 20 0 HFADMO CN(Cc1cccnc1)[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)[C@@H]2CCCO[C@H]12 ZINC001164811243 721589898 /nfs/dbraw/zinc/58/98/98/721589898.db2.gz WXJPDZHIWDMDBO-ZLNRFVROSA-N 1 1 407.562 2.941 20 0 HFADMO CN1CCN(c2cccc(-n3nc(-c4ccc(F)cc4)c4c3CC[NH2+]CC4)n2)CC1 ZINC001164797240 721597337 /nfs/dbraw/zinc/59/73/37/721597337.db2.gz FTSGLWNQKRGHOL-UHFFFAOYSA-N 1 1 406.509 2.513 20 0 HFADMO COc1nc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905990 721695230 /nfs/dbraw/zinc/69/52/30/721695230.db2.gz KUGXCNUGVRWJDS-KRWDZBQOSA-N 1 1 410.856 2.666 20 0 HFADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)Oc2ccnc(Cl)c2)CC1 ZINC001165013284 721748506 /nfs/dbraw/zinc/74/85/06/721748506.db2.gz WVZYPFTVYLMWGB-UHFFFAOYSA-N 1 1 402.873 2.683 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCC[C@]2(CO[C@H](C(=O)N3CCOCC3)C2)C1 ZINC001165016493 721778674 /nfs/dbraw/zinc/77/86/74/721778674.db2.gz CYFUICSVEJFDGG-LAUBAEHRSA-N 1 1 407.942 2.700 20 0 HFADMO C[N@@H+](Cc1ccc(N2CCO[C@@H]3[C@H](OCCCn4cccn4)CC[C@@H]32)nc1)C1CC1 ZINC001165022497 721782169 /nfs/dbraw/zinc/78/21/69/721782169.db2.gz RQCJSAUWLKHLTE-XJUOHMSHSA-N 1 1 411.550 2.715 20 0 HFADMO Cc1nc(CN2CCOC[C@@]3(CN(c4cc(C5CC5)cc[nH+]4)CCO3)C2)cs1 ZINC001164923488 721829056 /nfs/dbraw/zinc/82/90/56/721829056.db2.gz RUBUOCYPFNWKDA-NRFANRHFSA-N 1 1 400.548 2.832 20 0 HFADMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc(Oc2ccc(F)cc2)n1 ZINC001164927092 721869874 /nfs/dbraw/zinc/86/98/74/721869874.db2.gz UOKCTSMXNPYEPB-CVEARBPZSA-N 1 1 406.893 2.671 20 0 HFADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc(Oc2ccc(F)cc2)n1 ZINC001164927092 721869875 /nfs/dbraw/zinc/86/98/75/721869875.db2.gz UOKCTSMXNPYEPB-CVEARBPZSA-N 1 1 406.893 2.671 20 0 HFADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c2c1 ZINC001164921919 721876443 /nfs/dbraw/zinc/87/64/43/721876443.db2.gz DUFCNIDZVGXXHB-MSOLQXFVSA-N 1 1 417.941 2.675 20 0 HFADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4CCN(C)C)c2c1 ZINC001164921919 721876446 /nfs/dbraw/zinc/87/64/46/721876446.db2.gz DUFCNIDZVGXXHB-MSOLQXFVSA-N 1 1 417.941 2.675 20 0 HFADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4CCN(C)C)c2c1 ZINC001164921922 721876507 /nfs/dbraw/zinc/87/65/07/721876507.db2.gz DUFCNIDZVGXXHB-ZWKOTPCHSA-N 1 1 417.941 2.675 20 0 HFADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@H]4[C@H]3CC[N@H+]4CCN(C)C)c2c1 ZINC001164921922 721876509 /nfs/dbraw/zinc/87/65/09/721876509.db2.gz DUFCNIDZVGXXHB-ZWKOTPCHSA-N 1 1 417.941 2.675 20 0 HFADMO Cc1cc2c(ncnc2N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)s1 ZINC001164946946 721968601 /nfs/dbraw/zinc/96/86/01/721968601.db2.gz OHJXKCSJHXKNEO-UHFFFAOYSA-N 1 1 407.543 2.971 20 0 HFADMO Cc1cc2c(ncnc2N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)s1 ZINC001164946946 721968604 /nfs/dbraw/zinc/96/86/04/721968604.db2.gz OHJXKCSJHXKNEO-UHFFFAOYSA-N 1 1 407.543 2.971 20 0 HFADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nnc(Cl)c3ccncc31)CC2 ZINC001164945019 721970425 /nfs/dbraw/zinc/97/04/25/721970425.db2.gz NARWHBXOODKWPT-UHFFFAOYSA-N 1 1 422.920 2.649 20 0 HFADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nnc(Cl)c3ccncc31)CC2 ZINC001164945019 721970430 /nfs/dbraw/zinc/97/04/30/721970430.db2.gz NARWHBXOODKWPT-UHFFFAOYSA-N 1 1 422.920 2.649 20 0 HFADMO Cc1c[nH]c2nc(Cl)nc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c12 ZINC001164946860 721972248 /nfs/dbraw/zinc/97/22/48/721972248.db2.gz XQQJCLIBAZLJCY-UHFFFAOYSA-N 1 1 424.936 2.891 20 0 HFADMO Cc1c[nH]c2nc(Cl)nc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c12 ZINC001164946860 721972250 /nfs/dbraw/zinc/97/22/50/721972250.db2.gz XQQJCLIBAZLJCY-UHFFFAOYSA-N 1 1 424.936 2.891 20 0 HFADMO Cc1ccc(N(c2ncccc2CN2CCCC2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960556 722025729 /nfs/dbraw/zinc/02/57/29/722025729.db2.gz KLRDCEMVLZMURF-OFNKIYASSA-N 1 1 408.550 2.825 20 0 HFADMO CN(C)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164963962 722056855 /nfs/dbraw/zinc/05/68/55/722056855.db2.gz PZMGTMJZHBLICE-UHFFFAOYSA-N 1 1 416.957 2.710 20 0 HFADMO CCN(CC)c1cncc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164963309 722058104 /nfs/dbraw/zinc/05/81/04/722058104.db2.gz WLMZMYRULRABOD-UHFFFAOYSA-N 1 1 410.566 2.837 20 0 HFADMO Cc1noc(-c2ccnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2)n1 ZINC001164960730 722060493 /nfs/dbraw/zinc/06/04/93/722060493.db2.gz JUHKCFXFFIPRSE-UHFFFAOYSA-N 1 1 420.517 2.954 20 0 HFADMO Fc1cccc(Oc2nc(Cl)nc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)n2)c1 ZINC001164966634 722073478 /nfs/dbraw/zinc/07/34/78/722073478.db2.gz DYJFJOKRDABSOO-IYBDPMFKSA-N 1 1 405.861 2.756 20 0 HFADMO COc1ccc(Cc2c(C)nc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)nc2C)cc1 ZINC001164967479 722077097 /nfs/dbraw/zinc/07/70/97/722077097.db2.gz GGCYBOHJZQKENA-SZPZYZBQSA-N 1 1 408.546 2.992 20 0 HFADMO Cc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1NCC1CC1 ZINC001164986228 722098831 /nfs/dbraw/zinc/09/88/31/722098831.db2.gz YLZKCBYQBJTRAY-RTWAWAEBSA-N 1 1 408.550 2.729 20 0 HFADMO CCOC(=O)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1C ZINC001164986191 722099685 /nfs/dbraw/zinc/09/96/85/722099685.db2.gz YIPGDWLPYBODGF-FPOVZHCZSA-N 1 1 410.518 2.689 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4ccc(N5CCCCC5)nn4)CC[C@@H]3C2)c1 ZINC001164984061 722099726 /nfs/dbraw/zinc/09/97/26/722099726.db2.gz ROUQWTURJZFLBU-RTWAWAEBSA-N 1 1 408.550 2.589 20 0 HFADMO CSc1nc(Cl)cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977209 722100544 /nfs/dbraw/zinc/10/05/44/722100544.db2.gz FBCNYVLHVSKFNZ-JKSUJKDBSA-N 1 1 405.955 2.974 20 0 HFADMO COC(=O)c1c(Cl)ccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984742 722102492 /nfs/dbraw/zinc/10/24/92/722102492.db2.gz UKTGVCLERJOSST-AEFFLSMTSA-N 1 1 416.909 2.644 20 0 HFADMO FC(F)(c1cnc(Cl)nc1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985876 722105727 /nfs/dbraw/zinc/10/57/27/722105727.db2.gz XJVYRSQUZYOIPP-DOTOQJQBSA-N 1 1 409.868 2.797 20 0 HFADMO COc1cccc2c1ncnc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985180 722106031 /nfs/dbraw/zinc/10/60/31/722106031.db2.gz VGQFSGKPAWTERB-GHTZIAJQSA-N 1 1 405.502 2.761 20 0 HFADMO Clc1nc2c(c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)SCC2 ZINC001164976612 722110820 /nfs/dbraw/zinc/11/08/20/722110820.db2.gz LYHOFNCVLJYYQA-DOTOQJQBSA-N 1 1 417.966 2.901 20 0 HFADMO COc1cc2c(cc1F)ncnc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983873 722129544 /nfs/dbraw/zinc/12/95/44/722129544.db2.gz VWUFVAXQWCVHQS-VGOFRKELSA-N 1 1 423.492 2.900 20 0 HFADMO Nc1cc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cnc1Cl ZINC001164977085 722137235 /nfs/dbraw/zinc/13/72/35/722137235.db2.gz IRGFRKYUHYXBRT-QAPCUYQASA-N 1 1 423.895 2.984 20 0 HFADMO C[C@@H]1CCCN(c2cc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)ncn2)C1 ZINC001164985419 722149427 /nfs/dbraw/zinc/14/94/27/722149427.db2.gz ZJOGRMGSFGLOTA-HJNYFJLDSA-N 1 1 422.577 2.835 20 0 HFADMO c1csc(-c2nccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)n1 ZINC001164972167 722157073 /nfs/dbraw/zinc/15/70/73/722157073.db2.gz GIWOWWJPKHJKLN-QZTJIDSGSA-N 1 1 408.531 2.722 20 0 HFADMO CCNS(=O)(=O)c1ccc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1 ZINC001164994405 722207446 /nfs/dbraw/zinc/20/74/46/722207446.db2.gz GEMFNVMCUVUTQO-NRFANRHFSA-N 1 1 418.538 2.764 20 0 HFADMO COc1cc2ccnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c2cc1F ZINC001165001541 722239807 /nfs/dbraw/zinc/23/98/07/722239807.db2.gz IMWBRBXJXSGLDV-UHFFFAOYSA-N 1 1 422.508 2.530 20 0 HFADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C(F)(F)Cc3ccccc3)cc2)CC1 ZINC000793066212 1078061014 /nfs/dbraw/zinc/06/10/14/1078061014.db2.gz NKKVMXCROYZCFT-UHFFFAOYSA-N 1 1 401.457 2.568 20 0 HFADMO Cc1cc(C)c(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cc1C=O ZINC000793123738 1078071083 /nfs/dbraw/zinc/07/10/83/1078071083.db2.gz FGTCDOMKXSUCBR-UHFFFAOYSA-N 1 1 423.513 2.707 20 0 HFADMO Cc1nn(C)c(C)c1[C@H](C)C(=O)OCC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000746933371 1078071647 /nfs/dbraw/zinc/07/16/47/1078071647.db2.gz CSLGFNGNGYKUFK-WMZOPIPTSA-N 1 1 412.534 2.589 20 0 HFADMO Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1 ZINC000790611105 1078074915 /nfs/dbraw/zinc/07/49/15/1078074915.db2.gz QVGCEAIYKWMWFC-HXUWFJFHSA-N 1 1 401.898 2.897 20 0 HFADMO C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3cn4cccc(F)c4n3)cc2)C1=O ZINC000790611590 1078075904 /nfs/dbraw/zinc/07/59/04/1078075904.db2.gz SJHBOMBRTQSQSP-JOCHJYFZSA-N 1 1 407.449 2.988 20 0 HFADMO CC(C)COC(=O)Nc1cccc(NC(=O)C(=O)NCc2c[nH+]c3n2CCCC3)c1 ZINC000793108141 1078080773 /nfs/dbraw/zinc/08/07/73/1078080773.db2.gz HTGWWUMMFRCPKM-UHFFFAOYSA-N 1 1 413.478 2.679 20 0 HFADMO O=C(OC[C@H]1CCCC[N@H+]1CCCON1C(=O)c2ccccc2C1=O)N1CCCC1 ZINC001170141857 1078083734 /nfs/dbraw/zinc/08/37/34/1078083734.db2.gz WRZMTFIDHAHURL-QGZVFWFLSA-N 1 1 415.490 2.691 20 0 HFADMO Cc1c(Cl)cccc1N1CCCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000790707702 1078102624 /nfs/dbraw/zinc/10/26/24/1078102624.db2.gz CILNEJSWPYMWBZ-ZWKOTPCHSA-N 1 1 406.958 2.733 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000793267091 1078114345 /nfs/dbraw/zinc/11/43/45/1078114345.db2.gz SIBQKYIMVSYOSB-LSDHHAIUSA-N 1 1 412.328 2.965 20 0 HFADMO O=C(NC[C@H]1CCC[N@@H+](CCN2C(=O)c3ccccc3C2=O)C1)OCc1ccccc1 ZINC000793298148 1078121973 /nfs/dbraw/zinc/12/19/73/1078121973.db2.gz KOUMXKDFLZKJQZ-LJQANCHMSA-N 1 1 421.497 2.921 20 0 HFADMO O=C(Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC(c2cccnc2)=NO1 ZINC000790801005 1078139151 /nfs/dbraw/zinc/13/91/51/1078139151.db2.gz SIXMPUYMLVCROI-PZJWPPBQSA-N 1 1 416.485 2.857 20 0 HFADMO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cnc(Br)c(Cl)c1 ZINC000790850359 1078148305 /nfs/dbraw/zinc/14/83/05/1078148305.db2.gz JXGIHZJYVZHOOJ-UONOGXRCSA-N 1 1 402.720 2.871 20 0 HFADMO COc1ccc([C@@H]2C[C@H]2NC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)cc1 ZINC000793382732 1078161122 /nfs/dbraw/zinc/16/11/22/1078161122.db2.gz KZGBEPFDJMFJEE-ZWKOTPCHSA-N 1 1 415.456 2.847 20 0 HFADMO C[C@H]1C[C@@H](C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CCN1C(=O)OC(C)(C)C ZINC000793461499 1078179663 /nfs/dbraw/zinc/17/96/63/1078179663.db2.gz MSANYENRZRTWBS-UFYCRDLUSA-N 1 1 422.614 2.651 20 0 HFADMO C[N@@H+]1CCN(C(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1 ZINC000793506840 1078193577 /nfs/dbraw/zinc/19/35/77/1078193577.db2.gz VTAOXHREBPMJFR-SJORKVTESA-N 1 1 411.493 2.920 20 0 HFADMO C[N@H+]1CCN(C(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1 ZINC000793506840 1078193580 /nfs/dbraw/zinc/19/35/80/1078193580.db2.gz VTAOXHREBPMJFR-SJORKVTESA-N 1 1 411.493 2.920 20 0 HFADMO O=C1[C@@H](CCc2ccccc2)CCN1C[N@@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000793510350 1078194892 /nfs/dbraw/zinc/19/48/92/1078194892.db2.gz AOYWEZIPWZVIJA-SFTDATJTSA-N 1 1 418.541 2.958 20 0 HFADMO O=C1[C@@H](CCc2ccccc2)CCN1C[N@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000793510350 1078194895 /nfs/dbraw/zinc/19/48/95/1078194895.db2.gz AOYWEZIPWZVIJA-SFTDATJTSA-N 1 1 418.541 2.958 20 0 HFADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C[C@@H]1C ZINC000793550287 1078208058 /nfs/dbraw/zinc/20/80/58/1078208058.db2.gz AGSDKFIBQDQJFX-LRGNLBRXSA-N 1 1 424.545 2.910 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000793496377 1078202811 /nfs/dbraw/zinc/20/28/11/1078202811.db2.gz DPRUHOUSDAEWJH-OKILXGFUSA-N 1 1 416.526 2.693 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CN2C(=O)N[C@@]3(C[C@H](C)C[C@H](C)C3)C2=O)C1 ZINC000793591332 1078217378 /nfs/dbraw/zinc/21/73/78/1078217378.db2.gz ACUKCGHPULYAOF-TXKCWOHGSA-N 1 1 413.518 2.507 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CN2C(=O)N[C@@]3(C[C@H](C)C[C@H](C)C3)C2=O)C1 ZINC000793591332 1078217381 /nfs/dbraw/zinc/21/73/81/1078217381.db2.gz ACUKCGHPULYAOF-TXKCWOHGSA-N 1 1 413.518 2.507 20 0 HFADMO CC(C)OCC[NH+]1CCN(C(=O)[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000793595922 1078218763 /nfs/dbraw/zinc/21/87/63/1078218763.db2.gz JZJCERZHBASXPE-QHCPKHFHSA-N 1 1 417.550 2.604 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CN2C(=O)C[C@@](C)(c3ccc(F)cc3)C2=O)C1 ZINC000793598094 1078219574 /nfs/dbraw/zinc/21/95/74/1078219574.db2.gz MEVKRVADQZLVLD-ZEQRLZLVSA-N 1 1 424.472 2.617 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CN2C(=O)C[C@@](C)(c3ccc(F)cc3)C2=O)C1 ZINC000793598094 1078219577 /nfs/dbraw/zinc/21/95/77/1078219577.db2.gz MEVKRVADQZLVLD-ZEQRLZLVSA-N 1 1 424.472 2.617 20 0 HFADMO COC(=O)c1cc(C[NH2+]Cc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)oc1C ZINC000793605772 1078223175 /nfs/dbraw/zinc/22/31/75/1078223175.db2.gz IDWZKMPJOOXKCO-JOCHJYFZSA-N 1 1 411.458 2.889 20 0 HFADMO C[N@@H+]1CCN(Cc2ccc3c(c2)COC(C)(C)O3)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793605675 1078223467 /nfs/dbraw/zinc/22/34/67/1078223467.db2.gz XDRQWGVKNMXBDL-GOSISDBHSA-N 1 1 405.539 2.972 20 0 HFADMO C[N@H+]1CCN(Cc2ccc3c(c2)COC(C)(C)O3)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793605675 1078223469 /nfs/dbraw/zinc/22/34/69/1078223469.db2.gz XDRQWGVKNMXBDL-GOSISDBHSA-N 1 1 405.539 2.972 20 0 HFADMO CC[N@@H+](CCC1CCN(C(=O)C(=O)NCc2ccc([C@@H](C)O)cc2)CC1)CC(C)C ZINC000793629554 1078233588 /nfs/dbraw/zinc/23/35/88/1078233588.db2.gz IPZCUIOHORKNNW-LJQANCHMSA-N 1 1 417.594 2.963 20 0 HFADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCc1ccc([C@H](C)O)cc1 ZINC000793635950 1078236279 /nfs/dbraw/zinc/23/62/79/1078236279.db2.gz JDFCQCIIYDOGIB-UGKGYDQZSA-N 1 1 423.557 2.727 20 0 HFADMO C[C@H](O)c1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000793641259 1078238505 /nfs/dbraw/zinc/23/85/05/1078238505.db2.gz WKZBSYLKTIUFCI-MSYCTHLASA-N 1 1 423.557 2.868 20 0 HFADMO CC[N@@H+](CCC1CCN(C(=O)C(=O)NCc2ccc([C@H](C)O)cc2)CC1)CC1CC1 ZINC000793655243 1078242024 /nfs/dbraw/zinc/24/20/24/1078242024.db2.gz VFCAYBHBJHMXRC-SFHVURJKSA-N 1 1 415.578 2.717 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000793683241 1078253415 /nfs/dbraw/zinc/25/34/15/1078253415.db2.gz BWBWROIILMEHLD-HSALFYBXSA-N 1 1 401.551 2.683 20 0 HFADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(=O)NCc2ccc([C@H](C)O)cc2)cc1 ZINC000793656031 1078258573 /nfs/dbraw/zinc/25/85/73/1078258573.db2.gz WSVVIHFDOQIPSN-CVEARBPZSA-N 1 1 406.486 2.728 20 0 HFADMO C[C@@H](COc1ccccc1)NC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000793714576 1078262681 /nfs/dbraw/zinc/26/26/81/1078262681.db2.gz PRPKCAUTHJUTQX-CYFREDJKSA-N 1 1 409.530 2.599 20 0 HFADMO C[N@H+]1CC[C@@]2(CCN(Cn3nc(N4CCCCC4)n(C[C@@H]4CCCO4)c3=S)C2)C1 ZINC000793747399 1078289431 /nfs/dbraw/zinc/28/94/31/1078289431.db2.gz QXIOVMWBTDZOSG-GHTZIAJQSA-N 1 1 420.627 2.568 20 0 HFADMO COC(=O)c1c2cnn(CN3CC[C@@]4(CC[N@@H+](C)C4)C3)c2ccc1Br ZINC000793750897 1078291020 /nfs/dbraw/zinc/29/10/20/1078291020.db2.gz ZGHBTTILPKIUSC-GOSISDBHSA-N 1 1 407.312 2.571 20 0 HFADMO Cc1cccc(OC[C@H](C)NC(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000793797999 1078301505 /nfs/dbraw/zinc/30/15/05/1078301505.db2.gz HVUOENQAZIAPDE-CPJSRVTESA-N 1 1 423.557 2.907 20 0 HFADMO CCCN(CCc1cccs1)C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000793804103 1078304070 /nfs/dbraw/zinc/30/40/70/1078304070.db2.gz FFQCOCJUSCQOLO-UHFFFAOYSA-N 1 1 411.531 2.735 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@@H](c2ccc(C)cc2)C1 ZINC000793805026 1078304406 /nfs/dbraw/zinc/30/44/06/1078304406.db2.gz LJMLTDNATBPYIK-HXUWFJFHSA-N 1 1 403.486 2.516 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000793804936 1078304652 /nfs/dbraw/zinc/30/46/52/1078304652.db2.gz LAFHUFAENPBRQV-FXAWDEMLSA-N 1 1 421.476 2.784 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000793789963 1078297500 /nfs/dbraw/zinc/29/75/00/1078297500.db2.gz RPIIFSRYXUCBCG-BBRMVZONSA-N 1 1 416.526 2.598 20 0 HFADMO Cc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)COc2ccc(C)cc2)[NH+]2CCCC2)o1 ZINC000793774819 1078308197 /nfs/dbraw/zinc/30/81/97/1078308197.db2.gz WFJTYPRJJLPXAG-PXNSSMCTSA-N 1 1 413.518 2.733 20 0 HFADMO Cc1ccc([C@H](C)NC(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)s1 ZINC000793847311 1078313501 /nfs/dbraw/zinc/31/35/01/1078313501.db2.gz KTQZCYMOLANXAQ-WBVHZDCISA-N 1 1 415.559 2.771 20 0 HFADMO Cc1ccc([C@H](C)NC(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)s1 ZINC000793847311 1078313506 /nfs/dbraw/zinc/31/35/06/1078313506.db2.gz KTQZCYMOLANXAQ-WBVHZDCISA-N 1 1 415.559 2.771 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1Cc2nccn2C[C@@H](Cn2nc(C)nc2C)C1 ZINC001170438350 1078314295 /nfs/dbraw/zinc/31/42/95/1078314295.db2.gz RMRLDGAEGRPKCL-UXHICEINSA-N 1 1 422.533 2.973 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1Cc2nccn2C[C@@H](Cn2nc(C)nc2C)C1 ZINC001170438350 1078314298 /nfs/dbraw/zinc/31/42/98/1078314298.db2.gz RMRLDGAEGRPKCL-UXHICEINSA-N 1 1 422.533 2.973 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCC[C@]2(C1)COCCN(CCOC)C2 ZINC001170438546 1078322416 /nfs/dbraw/zinc/32/24/16/1078322416.db2.gz TXJQREBOZIDUJR-REWPJTCUSA-N 1 1 404.551 2.797 20 0 HFADMO O=C(C[C@H](O)c1ccc(Cl)cc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000772838705 1078329669 /nfs/dbraw/zinc/32/96/69/1078329669.db2.gz UVSOYYICQDQJAX-TYPHKJRUSA-N 1 1 402.922 2.763 20 0 HFADMO Cc1ccc([C@H](C)NC(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000793866899 1078328012 /nfs/dbraw/zinc/32/80/12/1078328012.db2.gz QHUKTNWHWAPRJA-SFHVURJKSA-N 1 1 414.575 2.514 20 0 HFADMO C[C@@H]1C[C@H](NC(=O)C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC[N@H+]1C ZINC000793868895 1078328541 /nfs/dbraw/zinc/32/85/41/1078328541.db2.gz GFICKWUFWPENJS-YLJYHZDGSA-N 1 1 414.594 2.668 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)C[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000793875475 1078331079 /nfs/dbraw/zinc/33/10/79/1078331079.db2.gz RLQYPXBIEAANSN-CADBVGFASA-N 1 1 411.587 2.573 20 0 HFADMO C[C@@H](C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000793876058 1078332086 /nfs/dbraw/zinc/33/20/86/1078332086.db2.gz VFIVPPLONUFISO-GNBUJSLZSA-N 1 1 419.566 2.802 20 0 HFADMO C[C@@H](C(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000793876058 1078332088 /nfs/dbraw/zinc/33/20/88/1078332088.db2.gz VFIVPPLONUFISO-GNBUJSLZSA-N 1 1 419.566 2.802 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000793932473 1078341422 /nfs/dbraw/zinc/34/14/22/1078341422.db2.gz UIJSOHBOXKJXNP-DOTOQJQBSA-N 1 1 400.910 2.611 20 0 HFADMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC([C@H](O)c3ccccc3)CC2)C1 ZINC000793908447 1078334552 /nfs/dbraw/zinc/33/45/52/1078334552.db2.gz IECLCTWABQQLHO-GHTZIAJQSA-N 1 1 415.578 2.585 20 0 HFADMO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)CCC2 ZINC000793911385 1078335757 /nfs/dbraw/zinc/33/57/57/1078335757.db2.gz BBAWYBKTHODBLZ-JKIFEVAISA-N 1 1 406.596 2.818 20 0 HFADMO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)CCC2 ZINC000793913726 1078336818 /nfs/dbraw/zinc/33/68/18/1078336818.db2.gz IWWNZYHQWGDPNN-SCTDSRPQSA-N 1 1 417.598 2.830 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000793914035 1078336909 /nfs/dbraw/zinc/33/69/09/1078336909.db2.gz SMPXBFBJRLPDKP-HDICACEKSA-N 1 1 402.583 2.632 20 0 HFADMO C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NC2CCN(c3[nH+]ccn3C)CC2)C1 ZINC000793950701 1078345007 /nfs/dbraw/zinc/34/50/07/1078345007.db2.gz BJMKYRWRXPMYSY-RDJZCZTQSA-N 1 1 405.543 2.541 20 0 HFADMO Cn1cc[nH+]c1N1CCC(NC(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)CC1 ZINC000793951585 1078345233 /nfs/dbraw/zinc/34/52/33/1078345233.db2.gz JOCJUJLBNIUPFL-UHFFFAOYSA-N 1 1 413.522 2.844 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000793965411 1078348579 /nfs/dbraw/zinc/34/85/79/1078348579.db2.gz GPVCITYGRMQUAB-XJKSGUPXSA-N 1 1 416.526 2.598 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000793969852 1078349501 /nfs/dbraw/zinc/34/95/01/1078349501.db2.gz FMEKFQCECPNNAP-BBRMVZONSA-N 1 1 416.526 2.740 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000793969855 1078349534 /nfs/dbraw/zinc/34/95/34/1078349534.db2.gz FMEKFQCECPNNAP-CJNGLKHVSA-N 1 1 416.526 2.740 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@H](OCCOC)[C@@H]1Cc1cnn(C)c1 ZINC001170441468 1078361097 /nfs/dbraw/zinc/36/10/97/1078361097.db2.gz HFTYPQGQIPMJLV-ACRUOGEOSA-N 1 1 415.534 2.819 20 0 HFADMO C[N@@H+](CC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)[C@@H]1CCSC1 ZINC000794047643 1078365437 /nfs/dbraw/zinc/36/54/37/1078365437.db2.gz KSCCIMUAQBYYSA-RBUKOAKNSA-N 1 1 405.564 2.589 20 0 HFADMO CN1CC[NH+](Cc2ccc(C(=O)Nc3ccc(F)c(N4CCOC4=O)c3)cc2)CC1 ZINC000794105381 1078372742 /nfs/dbraw/zinc/37/27/42/1078372742.db2.gz JFRSZEAAQDOCPA-UHFFFAOYSA-N 1 1 412.465 2.782 20 0 HFADMO CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000794146922 1078378026 /nfs/dbraw/zinc/37/80/26/1078378026.db2.gz KHFPBVFEQYVERK-QUCCMNQESA-N 1 1 415.534 2.892 20 0 HFADMO C[N@H+]1CCCN(c2ccc(NC(=O)[C@H]3[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)cc2)CC1 ZINC000794238785 1078390294 /nfs/dbraw/zinc/39/02/94/1078390294.db2.gz MODQJTRWKTXBAB-PMOLBWCYSA-N 1 1 414.550 2.880 20 0 HFADMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000794217266 1078394969 /nfs/dbraw/zinc/39/49/69/1078394969.db2.gz HNJCGWHUGKAFNP-MRXNPFEDSA-N 1 1 413.559 2.851 20 0 HFADMO CC[N@H+]1CCN(C(=O)C[C@@](O)(c2nc3ccccc3s2)C(F)(F)F)[C@@H](C)C1 ZINC000804379263 1078454767 /nfs/dbraw/zinc/45/47/67/1078454767.db2.gz ITKXSNGDEFMLKU-YVEFUNNKSA-N 1 1 401.454 2.989 20 0 HFADMO CC(C)Cc1ncnc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1I ZINC000804396539 1078461607 /nfs/dbraw/zinc/46/16/07/1078461607.db2.gz JOIJKYYDCLHADK-CHWSQXEVSA-N 1 1 416.307 2.555 20 0 HFADMO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000747204151 1078473848 /nfs/dbraw/zinc/47/38/48/1078473848.db2.gz LUIAACRAQJZMMM-ROUUACIJSA-N 1 1 415.563 2.766 20 0 HFADMO NC(=O)c1ccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(OCC(F)F)c1 ZINC001129481762 1078481994 /nfs/dbraw/zinc/48/19/94/1078481994.db2.gz VIQQVWWBMBKKEM-MRXNPFEDSA-N 1 1 403.429 2.890 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCCC[C@H]3COC(=O)N(C)C)cc2)C[C@H](C)O1 ZINC000804658007 1078492223 /nfs/dbraw/zinc/49/22/23/1078492223.db2.gz MGQOEQGDLZYPKJ-UEXGIBASSA-N 1 1 417.550 2.989 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCCC[C@H]3COC(=O)N(C)C)cc2)C[C@H](C)O1 ZINC000804658007 1078492230 /nfs/dbraw/zinc/49/22/30/1078492230.db2.gz MGQOEQGDLZYPKJ-UEXGIBASSA-N 1 1 417.550 2.989 20 0 HFADMO CCN1CC[NH+](CCCNC(=O)c2ccccc2CSC2=NCCS2)CC1 ZINC000747207023 1078502568 /nfs/dbraw/zinc/50/25/68/1078502568.db2.gz IFKMFOUAYVQFFC-UHFFFAOYSA-N 1 1 406.621 2.780 20 0 HFADMO CCN1CC[NH+](CC(C)(C)NC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CC1 ZINC001129807430 1078504672 /nfs/dbraw/zinc/50/46/72/1078504672.db2.gz BCEUGANCTZWQGO-IPMKNSEASA-N 1 1 420.395 2.867 20 0 HFADMO Cc1cccc(N2CC[NH+](CCCNC(=O)CSc3n[nH]c(=S)s3)CC2)c1 ZINC000747206866 1078505668 /nfs/dbraw/zinc/50/56/68/1078505668.db2.gz SODQFPCHOCUNIT-UHFFFAOYSA-N 1 1 423.633 2.556 20 0 HFADMO O=C(C1=NO[C@H](c2ccccc2)C1)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804446221 1078512295 /nfs/dbraw/zinc/51/22/95/1078512295.db2.gz BAFYWZKJXUQEBQ-UPVQGACJSA-N 1 1 418.541 2.923 20 0 HFADMO O=C(C[C@@H](O)c1cccc(F)c1)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804448954 1078516757 /nfs/dbraw/zinc/51/67/57/1078516757.db2.gz SDYJKJXMLQSNMA-XZOQPEGZSA-N 1 1 411.521 2.668 20 0 HFADMO Cc1cccnc1C(F)(F)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804449604 1078517758 /nfs/dbraw/zinc/51/77/58/1078517758.db2.gz ZHMXCVLQJOIINL-HXUWFJFHSA-N 1 1 414.500 2.901 20 0 HFADMO COCC(COC)[NH+]1CCN(C(=O)/C=C(\C)c2cccc(C(F)(F)F)c2)CC1 ZINC001129823274 1078518404 /nfs/dbraw/zinc/51/84/04/1078518404.db2.gz VQQJAWJELXPKDC-RVDMUPIBSA-N 1 1 400.441 2.914 20 0 HFADMO C[N@@H+](CCCCNC(=O)c1ccc2ncc(I)n2c1)C1CC1 ZINC001129515518 1078528236 /nfs/dbraw/zinc/52/82/36/1078528236.db2.gz NGKAVGQBBJHGHT-UHFFFAOYSA-N 1 1 412.275 2.543 20 0 HFADMO C[N@@H+](CCCCNC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O)C1CC1 ZINC001129516176 1078528670 /nfs/dbraw/zinc/52/86/70/1078528670.db2.gz DCWDOYXQSPWXSS-DEOSSOPVSA-N 1 1 422.529 2.597 20 0 HFADMO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000804491413 1078548209 /nfs/dbraw/zinc/54/82/09/1078548209.db2.gz COJFXGFPFPEWAY-NVXWUHKLSA-N 1 1 405.514 2.851 20 0 HFADMO COc1cccc2c1CC[C@@H]2NC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000804529200 1078566950 /nfs/dbraw/zinc/56/69/50/1078566950.db2.gz SKYMBMUHWDKBNX-OFVILXPXSA-N 1 1 421.541 2.827 20 0 HFADMO COC1(C(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000804533516 1078569816 /nfs/dbraw/zinc/56/98/16/1078569816.db2.gz BGACOXVLRAXPCU-UHFFFAOYSA-N 1 1 417.550 2.745 20 0 HFADMO C[C@H](NS(=O)(=O)c1cccc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)c1)c1ccccc1 ZINC001129903675 1078576166 /nfs/dbraw/zinc/57/61/66/1078576166.db2.gz AXCYWFZGXUSEOX-FXAWDEMLSA-N 1 1 415.559 2.892 20 0 HFADMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC001129905783 1078577934 /nfs/dbraw/zinc/57/79/34/1078577934.db2.gz PVBXBNAKTIWQKU-CYBMUJFWSA-N 1 1 401.960 2.583 20 0 HFADMO COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000804564766 1078600098 /nfs/dbraw/zinc/60/00/98/1078600098.db2.gz MSHSBQBADQAJOL-CTVHLWBWSA-N 1 1 415.534 2.996 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000804777372 1078602301 /nfs/dbraw/zinc/60/23/01/1078602301.db2.gz ZWZVXCIAXCKQBK-HNNXBMFYSA-N 1 1 413.971 2.729 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1C[C@@H]1C ZINC000804777113 1078602336 /nfs/dbraw/zinc/60/23/36/1078602336.db2.gz QOMBPWLUKDSZCQ-HRCADAONSA-N 1 1 403.523 2.903 20 0 HFADMO CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC000804759787 1078610601 /nfs/dbraw/zinc/61/06/01/1078610601.db2.gz APUZNNKPTRVMAA-WOJBJXKFSA-N 1 1 420.598 2.547 20 0 HFADMO CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC001129925987 1078618355 /nfs/dbraw/zinc/61/83/55/1078618355.db2.gz MSPFOUFYAOCZFV-RXVVDRJESA-N 1 1 415.578 2.555 20 0 HFADMO COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)CC1 ZINC001129926015 1078618417 /nfs/dbraw/zinc/61/84/17/1078618417.db2.gz NERWDWXENIPBFT-IBGZPJMESA-N 1 1 401.551 2.534 20 0 HFADMO COCC(C)(C)[NH+]1CCN(C(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 ZINC001129926386 1078619458 /nfs/dbraw/zinc/61/94/58/1078619458.db2.gz UFXYGEGEDMVMKD-HXUWFJFHSA-N 1 1 423.966 2.838 20 0 HFADMO COc1ccc2c(C)c(CCC(=O)N(C)C(C)(C)C[NH+]3CCOCC3)c(=O)oc2c1 ZINC001129658593 1078620043 /nfs/dbraw/zinc/62/00/43/1078620043.db2.gz KEQAVUSYQYGHAY-UHFFFAOYSA-N 1 1 416.518 2.612 20 0 HFADMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)sc2C1 ZINC001129950068 1078625555 /nfs/dbraw/zinc/62/55/55/1078625555.db2.gz CJSPYNOXDXQHIC-ZIAGYGMSSA-N 1 1 418.563 2.804 20 0 HFADMO CCN1CC[NH+](CC(C)(C)NC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)CC1 ZINC001129962135 1078636423 /nfs/dbraw/zinc/63/64/23/1078636423.db2.gz PQVQYMSBZDNIHF-UHFFFAOYSA-N 1 1 407.465 2.820 20 0 HFADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)C1 ZINC001129679487 1078643287 /nfs/dbraw/zinc/64/32/87/1078643287.db2.gz OCXGWOQKAMTZFX-INIZCTEOSA-N 1 1 413.609 2.723 20 0 HFADMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)Cn3cnc4sccc4c3=O)sc2C1 ZINC001129946746 1078643798 /nfs/dbraw/zinc/64/37/98/1078643798.db2.gz VJMCBUBBZGBHGZ-UHFFFAOYSA-N 1 1 403.533 2.710 20 0 HFADMO COC[C@@]1(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CCCN1C(=O)OC(C)(C)C ZINC000804788811 1078644884 /nfs/dbraw/zinc/64/48/84/1078644884.db2.gz VGAUDZQYCMJWRB-AVRDEDQJSA-N 1 1 405.539 2.822 20 0 HFADMO CC(C)NS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001129701929 1078660615 /nfs/dbraw/zinc/66/06/15/1078660615.db2.gz FEFZIPDDIZTRBT-GOSISDBHSA-N 1 1 415.559 2.720 20 0 HFADMO CC(C)NS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001129701929 1078660619 /nfs/dbraw/zinc/66/06/19/1078660619.db2.gz FEFZIPDDIZTRBT-GOSISDBHSA-N 1 1 415.559 2.720 20 0 HFADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)C1 ZINC001129678550 1078666166 /nfs/dbraw/zinc/66/61/66/1078666166.db2.gz BWDQPJQMWDJVOW-HJHGFDQJSA-N 1 1 406.490 2.872 20 0 HFADMO Cn1c2cccc(F)c2nc1N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804834959 1078678183 /nfs/dbraw/zinc/67/81/83/1078678183.db2.gz PNFLMIGGTIXOMK-OAHLLOKOSA-N 1 1 403.502 2.844 20 0 HFADMO O=C(Nn1cnc2ccccc21)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804869333 1078693093 /nfs/dbraw/zinc/69/30/93/1078693093.db2.gz NJPBVUPRSXCZDK-FQEVSTJZSA-N 1 1 404.518 2.592 20 0 HFADMO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000804643936 1078698808 /nfs/dbraw/zinc/69/88/08/1078698808.db2.gz UASUUXQWIHFKJS-WIYYLYMNSA-N 1 1 411.521 2.996 20 0 HFADMO CC[C@@](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)(C(=O)OC)c1ccccc1 ZINC001129793178 1078733293 /nfs/dbraw/zinc/73/32/93/1078733293.db2.gz RFORLYFBUKSJRH-QPPBQGQZSA-N 1 1 410.514 2.525 20 0 HFADMO CC[C@@](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)(C(=O)OC)c1ccccc1 ZINC001129793178 1078733300 /nfs/dbraw/zinc/73/33/00/1078733300.db2.gz RFORLYFBUKSJRH-QPPBQGQZSA-N 1 1 410.514 2.525 20 0 HFADMO COC(=O)Nc1cccc(CNC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000804888707 1078746879 /nfs/dbraw/zinc/74/68/79/1078746879.db2.gz ZKAJJOAILUAXCS-UHFFFAOYSA-N 1 1 412.490 2.697 20 0 HFADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2sc(-c3ccc(OC)cc3)nc2C)CC1 ZINC000804897277 1078754094 /nfs/dbraw/zinc/75/40/94/1078754094.db2.gz JTOVGFTXDCPKJV-OAHLLOKOSA-N 1 1 417.531 2.837 20 0 HFADMO O=C(NC[C@@H]1CC1(Cl)Cl)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804941856 1078766461 /nfs/dbraw/zinc/76/64/61/1078766461.db2.gz FECNVXWQDROJHV-ROUUACIJSA-N 1 1 411.377 2.782 20 0 HFADMO CC(=O)OCCCS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000804991671 1078795196 /nfs/dbraw/zinc/79/51/96/1078795196.db2.gz HRUCRLZTXRTCTO-SFHVURJKSA-N 1 1 402.944 2.567 20 0 HFADMO CC(=O)OCCCS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000804991671 1078795201 /nfs/dbraw/zinc/79/52/01/1078795201.db2.gz HRUCRLZTXRTCTO-SFHVURJKSA-N 1 1 402.944 2.567 20 0 HFADMO C[C@H](CNC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C)[N@H+]1CCC[C@H](C)C1 ZINC000805104580 1078888401 /nfs/dbraw/zinc/88/84/01/1078888401.db2.gz XEBIWDKOZHRKBE-QMHWVQJVSA-N 1 1 406.493 2.594 20 0 HFADMO C[C@H](NC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Br)cc1F ZINC000805075424 1078907311 /nfs/dbraw/zinc/90/73/11/1078907311.db2.gz XEDRFZPOOMLCSA-IACUBPJLSA-N 1 1 400.292 2.812 20 0 HFADMO CC(=O)OCCCS(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000805094297 1078920569 /nfs/dbraw/zinc/92/05/69/1078920569.db2.gz MYWMGPZQQMBJSR-FCHUYYIVSA-N 1 1 416.543 2.527 20 0 HFADMO Cc1ccccc1[C@H](O)C1CCN(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000805139354 1078936711 /nfs/dbraw/zinc/93/67/11/1078936711.db2.gz REGHGKLGRLFQLE-NZQKXSOJSA-N 1 1 414.594 2.619 20 0 HFADMO Cc1ccccc1[C@H](O)C1CCN(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000805139354 1078936714 /nfs/dbraw/zinc/93/67/14/1078936714.db2.gz REGHGKLGRLFQLE-NZQKXSOJSA-N 1 1 414.594 2.619 20 0 HFADMO CCc1ccc([C@H](O)CNC(=O)N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000805148063 1078945111 /nfs/dbraw/zinc/94/51/11/1078945111.db2.gz RNFZTYQKSFLTTH-SXSPYAJSSA-N 1 1 411.546 2.871 20 0 HFADMO CCc1ccc([C@H](O)CNC(=O)N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000805148063 1078945113 /nfs/dbraw/zinc/94/51/13/1078945113.db2.gz RNFZTYQKSFLTTH-SXSPYAJSSA-N 1 1 411.546 2.871 20 0 HFADMO O=C(/C=C\Sc1ccccc1)OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000805162984 1078954300 /nfs/dbraw/zinc/95/43/00/1078954300.db2.gz DINJQPUVWGZUOD-SXGWCWSVSA-N 1 1 418.559 2.987 20 0 HFADMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000805184549 1078966142 /nfs/dbraw/zinc/96/61/42/1078966142.db2.gz RSINXHSWYZSASD-QXKUPLGCSA-N 1 1 406.493 2.594 20 0 HFADMO COCC(C)(C)[NH+]1CCN(C(=O)c2cnc3c(cnn3Cc3ccccc3)c2)CC1 ZINC001130117683 1078987832 /nfs/dbraw/zinc/98/78/32/1078987832.db2.gz VUYZLWISSGXKEC-UHFFFAOYSA-N 1 1 407.518 2.662 20 0 HFADMO CON(Cc1ccccc1)C(=O)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000805303945 1078996665 /nfs/dbraw/zinc/99/66/65/1078996665.db2.gz ULBPTHBAENPFAF-UHFFFAOYSA-N 1 1 417.550 2.507 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000805282437 1079008720 /nfs/dbraw/zinc/00/87/20/1079008720.db2.gz NZMSAUBQUSQKJT-UXHICEINSA-N 1 1 402.539 2.763 20 0 HFADMO COC(=O)N1CCC(CNC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000805316120 1079015821 /nfs/dbraw/zinc/01/58/21/1079015821.db2.gz IARASILZUUMSJR-JOCHJYFZSA-N 1 1 402.539 2.819 20 0 HFADMO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000805411759 1079073434 /nfs/dbraw/zinc/07/34/34/1079073434.db2.gz YFLYPXKYYWYUHP-UXHICEINSA-N 1 1 402.539 2.811 20 0 HFADMO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)C(=O)NC[C@@H]1CCC=CO1 ZINC000805515838 1079114592 /nfs/dbraw/zinc/11/45/92/1079114592.db2.gz WPBADPXVUCJMBR-MOPGFXCFSA-N 1 1 405.926 2.620 20 0 HFADMO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)C(=O)NC[C@@H]1CCC=CO1 ZINC000805515838 1079114597 /nfs/dbraw/zinc/11/45/97/1079114597.db2.gz WPBADPXVUCJMBR-MOPGFXCFSA-N 1 1 405.926 2.620 20 0 HFADMO CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(/C=C\C(=O)OC)cc2)c1 ZINC000747252400 1079136289 /nfs/dbraw/zinc/13/62/89/1079136289.db2.gz DLVSVQBAMRMWFO-RAXLEYEMSA-N 1 1 402.516 2.803 20 0 HFADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2c[nH]c3ccc(Br)cc23)CC1 ZINC000805558414 1079142182 /nfs/dbraw/zinc/14/21/82/1079142182.db2.gz JKLDPMDHRRRBLD-LBPRGKRZSA-N 1 1 408.296 2.640 20 0 HFADMO C[C@@H](CNC(=O)c1ccc(F)c(I)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259484 1079148304 /nfs/dbraw/zinc/14/83/04/1079148304.db2.gz FJOHIMXEXVOEBM-SDDRHHMPSA-N 1 1 420.266 2.658 20 0 HFADMO C[C@@H](CNC(=O)c1ccc(F)c(I)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259484 1079148307 /nfs/dbraw/zinc/14/83/07/1079148307.db2.gz FJOHIMXEXVOEBM-SDDRHHMPSA-N 1 1 420.266 2.658 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000747253100 1079160210 /nfs/dbraw/zinc/16/02/10/1079160210.db2.gz IFOGXCYHYMSRNW-KRWDZBQOSA-N 1 1 420.506 2.803 20 0 HFADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCc2nc3ccccc3n2CC)C1 ZINC000805636382 1079189155 /nfs/dbraw/zinc/18/91/55/1079189155.db2.gz OQLRJYGUYSRGEG-QGZVFWFLSA-N 1 1 413.566 2.689 20 0 HFADMO COc1ccc(Cl)cc1N1C[C@H](C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1=O ZINC001130301388 1079193189 /nfs/dbraw/zinc/19/31/89/1079193189.db2.gz MTUQTOGQYFITCI-DJIMGWMZSA-N 1 1 405.926 2.835 20 0 HFADMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC001130302222 1079194246 /nfs/dbraw/zinc/19/42/46/1079194246.db2.gz YFJIGPRLFHXZRR-WOJBJXKFSA-N 1 1 405.489 2.950 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)ccc1F ZINC000747257145 1079207220 /nfs/dbraw/zinc/20/72/20/1079207220.db2.gz SJYZKNCAMSNWPK-UHFFFAOYSA-N 1 1 421.425 2.724 20 0 HFADMO CCC[N@@H+](C)[C@H](CNC(=O)N1CCN2C(=O)OCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000805752179 1079231288 /nfs/dbraw/zinc/23/12/88/1079231288.db2.gz ADYCXPWYSZTFMO-QZTJIDSGSA-N 1 1 408.930 2.959 20 0 HFADMO C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+]3CC[C@@H](OCc4ccncc4)C3)cc2)C[C@@H](C)O1 ZINC000805753014 1079231530 /nfs/dbraw/zinc/23/15/30/1079231530.db2.gz LWTPVEGZLAJJNH-DNVFCKCGSA-N 1 1 424.545 2.925 20 0 HFADMO C[C@@H]1CN(c2ccc(NC(=O)C[N@H+]3CC[C@@H](OCc4ccncc4)C3)cc2)C[C@@H](C)O1 ZINC000805753014 1079231539 /nfs/dbraw/zinc/23/15/39/1079231539.db2.gz LWTPVEGZLAJJNH-DNVFCKCGSA-N 1 1 424.545 2.925 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+]([C@@H]1CCN(CC(F)(F)F)C1=O)C2 ZINC000805794381 1079258815 /nfs/dbraw/zinc/25/88/15/1079258815.db2.gz SSOXMAGJPIECFR-KDOFPFPSSA-N 1 1 405.461 2.873 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+]([C@@H]1CCN(CC(F)(F)F)C1=O)C2 ZINC000805794381 1079258821 /nfs/dbraw/zinc/25/88/21/1079258821.db2.gz SSOXMAGJPIECFR-KDOFPFPSSA-N 1 1 405.461 2.873 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC(=O)NC(=O)NC1CCCCC1)C2 ZINC000805795519 1079259647 /nfs/dbraw/zinc/25/96/47/1079259647.db2.gz PGEAMFMEXDVGJR-QFIPXVFZSA-N 1 1 422.570 2.868 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC(=O)NC(=O)NC1CCCCC1)C2 ZINC000805795519 1079259650 /nfs/dbraw/zinc/25/96/50/1079259650.db2.gz PGEAMFMEXDVGJR-QFIPXVFZSA-N 1 1 422.570 2.868 20 0 HFADMO Cc1cc(N2CC[C@@H]([N@@H+]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2=O)n(C)n1 ZINC000805795296 1079259738 /nfs/dbraw/zinc/25/97/38/1079259738.db2.gz KRTAGNAEMVQPKB-VGOFRKELSA-N 1 1 417.554 2.557 20 0 HFADMO Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2=O)n(C)n1 ZINC000805795296 1079259742 /nfs/dbraw/zinc/25/97/42/1079259742.db2.gz KRTAGNAEMVQPKB-VGOFRKELSA-N 1 1 417.554 2.557 20 0 HFADMO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805795034 1079260338 /nfs/dbraw/zinc/26/03/38/1079260338.db2.gz DXPHLGAVOWANNU-IERDGZPVSA-N 1 1 410.559 2.580 20 0 HFADMO CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@@H+](C[C@H](O)Cc3cccc(Cl)c3)C2)CC1 ZINC000805759545 1079261218 /nfs/dbraw/zinc/26/12/18/1079261218.db2.gz VEKDZMLUEIXAPN-WOJBJXKFSA-N 1 1 423.985 2.870 20 0 HFADMO CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@@H+](C[C@@H](O)Cc3cccc(Cl)c3)C2)CC1 ZINC000805759543 1079261294 /nfs/dbraw/zinc/26/12/94/1079261294.db2.gz VEKDZMLUEIXAPN-UXHICEINSA-N 1 1 423.985 2.870 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000805762788 1079265079 /nfs/dbraw/zinc/26/50/79/1079265079.db2.gz FKGVJZJGKGDYBX-HNNXBMFYSA-N 1 1 417.510 2.976 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000805762788 1079265086 /nfs/dbraw/zinc/26/50/86/1079265086.db2.gz FKGVJZJGKGDYBX-HNNXBMFYSA-N 1 1 417.510 2.976 20 0 HFADMO CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@H]2CCNC(=O)OC(C)(C)C)CC1 ZINC000805763592 1079264197 /nfs/dbraw/zinc/26/41/97/1079264197.db2.gz MGKHQWZYFWUMGB-IBGZPJMESA-N 1 1 410.603 2.745 20 0 HFADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN(C)CC(F)(F)Br)CC1 ZINC000805835369 1079274269 /nfs/dbraw/zinc/27/42/69/1079274269.db2.gz NJVQNLONCVDOOY-AWEZNQCLSA-N 1 1 404.299 2.811 20 0 HFADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCc4cc(Cl)nnc4C3)cc2)C[C@@H](C)O1 ZINC001130369130 1079266950 /nfs/dbraw/zinc/26/69/50/1079266950.db2.gz CECXUVLSBAFSQF-HUUCEWRRSA-N 1 1 400.910 2.938 20 0 HFADMO C[C@@H]1[C@H](C)N(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)[C@@H](C)C[N@H+]1C ZINC001130369496 1079267769 /nfs/dbraw/zinc/26/77/69/1079267769.db2.gz FPSKLIKXMNORAY-PFRQMTDMSA-N 1 1 414.550 2.903 20 0 HFADMO CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1[C@H](C)C[N@@H+](C)[C@@H](C)[C@H]1C)C2=O ZINC001130369731 1079268124 /nfs/dbraw/zinc/26/81/24/1079268124.db2.gz IJUJVJMSUSZRRK-WZGDRLMUSA-N 1 1 420.598 2.843 20 0 HFADMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000805800878 1079280348 /nfs/dbraw/zinc/28/03/48/1079280348.db2.gz JIXAYZVWUREBDM-LRDDRELGSA-N 1 1 424.929 2.755 20 0 HFADMO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000805801027 1079280476 /nfs/dbraw/zinc/28/04/76/1079280476.db2.gz OSZGECYKSBYNCB-NSHGMRRFSA-N 1 1 416.566 2.711 20 0 HFADMO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000805801027 1079280480 /nfs/dbraw/zinc/28/04/80/1079280480.db2.gz OSZGECYKSBYNCB-NSHGMRRFSA-N 1 1 416.566 2.711 20 0 HFADMO CCOC(=O)Nc1ccc2c(C[N@H+]3CC[C@@H](C(=O)N4CCCC4)C3)cc(=O)oc2c1 ZINC000805811197 1079285943 /nfs/dbraw/zinc/28/59/43/1079285943.db2.gz MMEDSJFQSWEDPB-OAHLLOKOSA-N 1 1 413.474 2.806 20 0 HFADMO CNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC ZINC000805826108 1079295990 /nfs/dbraw/zinc/29/59/90/1079295990.db2.gz POLOYZRNNSNHLI-APWZRJJASA-N 1 1 419.522 2.578 20 0 HFADMO CNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC ZINC000805826108 1079295997 /nfs/dbraw/zinc/29/59/97/1079295997.db2.gz POLOYZRNNSNHLI-APWZRJJASA-N 1 1 419.522 2.578 20 0 HFADMO COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000747268156 1079295120 /nfs/dbraw/zinc/29/51/20/1079295120.db2.gz ARODJKWBWNLJBI-ACQXMXPUSA-N 1 1 414.527 2.816 20 0 HFADMO CC1(C)NC(=O)N(CCC[N@H+]2CCCC[C@@H]2COC(=O)NC2CCCCC2)C1=O ZINC000805827182 1079297672 /nfs/dbraw/zinc/29/76/72/1079297672.db2.gz OMNLYLWFQBVEST-QGZVFWFLSA-N 1 1 408.543 2.620 20 0 HFADMO C[C@H](CNC(=O)c1cccnc1)OC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000805896662 1079325121 /nfs/dbraw/zinc/32/51/21/1079325121.db2.gz BWKGJGLIBDYNTE-KURKYZTESA-N 1 1 411.502 2.666 20 0 HFADMO C[C@H](CNC(=O)c1cccnc1)OC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000805896662 1079325129 /nfs/dbraw/zinc/32/51/29/1079325129.db2.gz BWKGJGLIBDYNTE-KURKYZTESA-N 1 1 411.502 2.666 20 0 HFADMO CC[C@@H](C(=O)OC[C@@H]1C[N@@H+](CC(C)C)CCO1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000805915612 1079330698 /nfs/dbraw/zinc/33/06/98/1079330698.db2.gz IQMQRPGUSKLSIJ-ROUUACIJSA-N 1 1 421.929 2.845 20 0 HFADMO C[C@@H](OC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)NCc1ccccn1 ZINC000805957300 1079374478 /nfs/dbraw/zinc/37/44/78/1079374478.db2.gz FBCACRPOIANXFX-KZNAEPCWSA-N 1 1 411.502 2.553 20 0 HFADMO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000747284369 1079383687 /nfs/dbraw/zinc/38/36/87/1079383687.db2.gz QZGVTKBCTVWWEL-INIZCTEOSA-N 1 1 400.500 2.642 20 0 HFADMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000747284369 1079383691 /nfs/dbraw/zinc/38/36/91/1079383691.db2.gz QZGVTKBCTVWWEL-INIZCTEOSA-N 1 1 400.500 2.642 20 0 HFADMO O=C(NCc1ccc(-n2cncn2)nc1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000747296098 1079395680 /nfs/dbraw/zinc/39/56/80/1079395680.db2.gz AVFFKLALZWNCAC-UHFFFAOYSA-N 1 1 409.519 2.533 20 0 HFADMO Cn1cnc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1Cl ZINC000747291869 1079390732 /nfs/dbraw/zinc/39/07/32/1079390732.db2.gz WXVLWXLKESDIRE-IBGZPJMESA-N 1 1 408.955 2.750 20 0 HFADMO CC(C)NC(=O)c1ccc(C(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001130527144 1079435973 /nfs/dbraw/zinc/43/59/73/1079435973.db2.gz ACNLFLFFLKMBKD-DHIUTWEWSA-N 1 1 421.541 2.940 20 0 HFADMO C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CCOCC1 ZINC001130518918 1079450783 /nfs/dbraw/zinc/45/07/83/1079450783.db2.gz QUXKGSZDGKDRNA-RCCFBDPRSA-N 1 1 409.571 2.830 20 0 HFADMO Cc1cc(C(=O)Nc2ccc(OCCC[NH+]3CCN(C)CC3)cc2)c2nccn2c1 ZINC001130541483 1079461919 /nfs/dbraw/zinc/46/19/19/1079461919.db2.gz DWZMGGBFPOIUNE-UHFFFAOYSA-N 1 1 407.518 2.911 20 0 HFADMO CCOc1ccc(OCC(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001130529259 1079465438 /nfs/dbraw/zinc/46/54/38/1079465438.db2.gz UEJASVJNUPPUGT-XZOQPEGZSA-N 1 1 410.514 2.966 20 0 HFADMO COCCOc1cccc(C(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001130529729 1079466188 /nfs/dbraw/zinc/46/61/88/1079466188.db2.gz YOLTXJXQMMEOAP-DHIUTWEWSA-N 1 1 410.514 2.827 20 0 HFADMO C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)[C@H](Cc2ccccc2)C1 ZINC001130550757 1079487315 /nfs/dbraw/zinc/48/73/15/1079487315.db2.gz RROKABBGHVUMRH-QZTJIDSGSA-N 1 1 413.468 2.703 20 0 HFADMO C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)[C@H](Cc2ccccc2)C1 ZINC001130550757 1079487320 /nfs/dbraw/zinc/48/73/20/1079487320.db2.gz RROKABBGHVUMRH-QZTJIDSGSA-N 1 1 413.468 2.703 20 0 HFADMO CN(CC1CC[NH+](C)CC1)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787317657 1076760470 /nfs/dbraw/zinc/76/04/70/1076760470.db2.gz KWYSBICFMOWJHZ-MRXNPFEDSA-N 1 1 405.543 2.548 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000787326643 1076769255 /nfs/dbraw/zinc/76/92/55/1076769255.db2.gz QBTUGEYEIIGQKP-MSOLQXFVSA-N 1 1 424.586 2.671 20 0 HFADMO CC(C)c1[nH+]ccn1CCNC(=O)COc1cccc(I)c1 ZINC000787351586 1076792375 /nfs/dbraw/zinc/79/23/75/1076792375.db2.gz XJWIQVOPPQRSSI-UHFFFAOYSA-N 1 1 413.259 2.806 20 0 HFADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)[C@H](C)C1 ZINC000787387549 1076804668 /nfs/dbraw/zinc/80/46/68/1076804668.db2.gz MMVMTQPGLHURHS-MDZRGWNJSA-N 1 1 419.570 2.936 20 0 HFADMO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)[C@H](C)C1 ZINC000787387549 1076804674 /nfs/dbraw/zinc/80/46/74/1076804674.db2.gz MMVMTQPGLHURHS-MDZRGWNJSA-N 1 1 419.570 2.936 20 0 HFADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)[C@H](C)C1 ZINC000787387549 1076804682 /nfs/dbraw/zinc/80/46/82/1076804682.db2.gz MMVMTQPGLHURHS-MDZRGWNJSA-N 1 1 419.570 2.936 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCCCCCc2ccccc2)cn1 ZINC000787488369 1076823111 /nfs/dbraw/zinc/82/31/11/1076823111.db2.gz WLJOVQXUMHVKAX-UHFFFAOYSA-N 1 1 405.502 2.721 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)cn1 ZINC000787477940 1076837598 /nfs/dbraw/zinc/83/75/98/1076837598.db2.gz NGWNWFKGRVMLIU-UYAOXDASSA-N 1 1 421.476 2.784 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)cn1 ZINC000787478500 1076838664 /nfs/dbraw/zinc/83/86/64/1076838664.db2.gz QAQYFDRTBMEHFG-BTYIYWSLSA-N 1 1 421.476 2.941 20 0 HFADMO COc1cccc([C@H]2CCCN2C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)c1 ZINC000787481615 1076839965 /nfs/dbraw/zinc/83/99/65/1076839965.db2.gz OMKFIBKEJYWAFX-HXUWFJFHSA-N 1 1 419.485 2.564 20 0 HFADMO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000746687246 1076840738 /nfs/dbraw/zinc/84/07/38/1076840738.db2.gz OFZWKJGWOZDHBB-HZPDHXFCSA-N 1 1 402.564 2.560 20 0 HFADMO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000746692154 1076849015 /nfs/dbraw/zinc/84/90/15/1076849015.db2.gz PWLKRVRHBKCNIV-OAHLLOKOSA-N 1 1 402.564 2.702 20 0 HFADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000746692154 1076849019 /nfs/dbraw/zinc/84/90/19/1076849019.db2.gz PWLKRVRHBKCNIV-OAHLLOKOSA-N 1 1 402.564 2.702 20 0 HFADMO Cc1cscc1CNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000787587955 1076860980 /nfs/dbraw/zinc/86/09/80/1076860980.db2.gz OGIMAUGUUOGMCZ-UHFFFAOYSA-N 1 1 406.939 2.717 20 0 HFADMO C[C@@H](CCNC(=O)c1cc(S(N)(=O)=O)ccc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000746693643 1076872631 /nfs/dbraw/zinc/87/26/31/1076872631.db2.gz GOPSCJRTFUWWDL-AWEZNQCLSA-N 1 1 409.939 2.628 20 0 HFADMO COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H](C)CCSC)[NH+]1CCCCC1 ZINC000787584458 1076874187 /nfs/dbraw/zinc/87/41/87/1076874187.db2.gz JJLLOIDZIYZXMA-AEFFLSMTSA-N 1 1 407.580 2.596 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000787608314 1076876362 /nfs/dbraw/zinc/87/63/62/1076876362.db2.gz RBFQMRXULYSAJP-CYBMUJFWSA-N 1 1 413.490 2.652 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1 ZINC000787623446 1076882359 /nfs/dbraw/zinc/88/23/59/1076882359.db2.gz ABUYUCMFWMDKBR-UHFFFAOYSA-N 1 1 414.937 2.613 20 0 HFADMO CN(C)c1cc[nH+]cc1C(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000787675849 1076890330 /nfs/dbraw/zinc/89/03/30/1076890330.db2.gz ULTALGRLTDWKQV-UHFFFAOYSA-N 1 1 418.339 2.914 20 0 HFADMO COc1ccccc1N1CC[NH+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000787688091 1076911909 /nfs/dbraw/zinc/91/19/09/1076911909.db2.gz NKJHDBBSTMKDQS-DENIHFKCSA-N 1 1 405.539 2.578 20 0 HFADMO Cc1cccc(CN2CC[NH+]([C@@H]3CN(C(=O)OC(C)(C)C)CC[C@]3(C)O)CC2)c1 ZINC000787688977 1076912572 /nfs/dbraw/zinc/91/25/72/1076912572.db2.gz QIWZGZICMFFWQV-OFNKIYASSA-N 1 1 403.567 2.873 20 0 HFADMO C[N@@H+]1CC[C@H](NCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)[C@@H]1c1ccccc1 ZINC000787689535 1076913370 /nfs/dbraw/zinc/91/33/70/1076913370.db2.gz LKNOSDROOLGINY-JXFKEZNVSA-N 1 1 412.559 2.699 20 0 HFADMO C[N@H+]1CC[C@H](NCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)[C@@H]1c1ccccc1 ZINC000787689535 1076913375 /nfs/dbraw/zinc/91/33/75/1076913375.db2.gz LKNOSDROOLGINY-JXFKEZNVSA-N 1 1 412.559 2.699 20 0 HFADMO Cc1cccc(Cn2[nH]ccc2=NC(=O)CN[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000787692841 1076914729 /nfs/dbraw/zinc/91/47/29/1076914729.db2.gz XVRDDIYQMPYTNM-QPPBQGQZSA-N 1 1 403.530 2.635 20 0 HFADMO Cc1cccc(Cn2[nH]ccc2=NC(=O)CN[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000787692841 1076914731 /nfs/dbraw/zinc/91/47/31/1076914731.db2.gz XVRDDIYQMPYTNM-QPPBQGQZSA-N 1 1 403.530 2.635 20 0 HFADMO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O)CC2 ZINC000787710001 1076921377 /nfs/dbraw/zinc/92/13/77/1076921377.db2.gz ZJHYRRAXJZNQRU-SIKLNZKXSA-N 1 1 406.523 2.822 20 0 HFADMO COc1cc2c(cc1OC)C[N@H+]([C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O)CC2 ZINC000787710001 1076921379 /nfs/dbraw/zinc/92/13/79/1076921379.db2.gz ZJHYRRAXJZNQRU-SIKLNZKXSA-N 1 1 406.523 2.822 20 0 HFADMO CC[N@H+](CC(=O)Nc1cccc(OC)c1)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000787710640 1076922281 /nfs/dbraw/zinc/92/22/81/1076922281.db2.gz MTYYJSJIOUMIRU-PGRDOPGGSA-N 1 1 421.538 2.716 20 0 HFADMO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000787710640 1076922282 /nfs/dbraw/zinc/92/22/82/1076922282.db2.gz MTYYJSJIOUMIRU-PGRDOPGGSA-N 1 1 421.538 2.716 20 0 HFADMO C[N@H+](CCOCCNC(=O)OC(C)(C)C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000787715248 1076923703 /nfs/dbraw/zinc/92/37/03/1076923703.db2.gz CMSAOFJMDWDQKN-QGZVFWFLSA-N 1 1 411.930 2.918 20 0 HFADMO C[N@@H+](CCOCCNC(=O)OC(C)(C)C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000787715248 1076923708 /nfs/dbraw/zinc/92/37/08/1076923708.db2.gz CMSAOFJMDWDQKN-QGZVFWFLSA-N 1 1 411.930 2.918 20 0 HFADMO C[N@H+]([C@@H]1CCN(c2ccccc2F)C1=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000787716852 1076924419 /nfs/dbraw/zinc/92/44/19/1076924419.db2.gz JXJUOBDHDNYNNH-HMFYCAOWSA-N 1 1 421.513 2.623 20 0 HFADMO C[N@@H+]([C@@H]1CCN(c2ccccc2F)C1=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000787716852 1076924423 /nfs/dbraw/zinc/92/44/23/1076924423.db2.gz JXJUOBDHDNYNNH-HMFYCAOWSA-N 1 1 421.513 2.623 20 0 HFADMO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000787739946 1076937479 /nfs/dbraw/zinc/93/74/79/1076937479.db2.gz VPHPFCIRQASILL-NRFANRHFSA-N 1 1 414.594 2.709 20 0 HFADMO O=C(NC[C@H](O)c1cc(F)cc(Cl)c1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000787816785 1076952682 /nfs/dbraw/zinc/95/26/82/1076952682.db2.gz GBOUCIVBQOKNSV-VQTJNVASSA-N 1 1 406.885 2.827 20 0 HFADMO Cc1cnc(Cl)c(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000787884658 1076976676 /nfs/dbraw/zinc/97/66/76/1076976676.db2.gz VWGCHDCRMPBGAN-QGZVFWFLSA-N 1 1 400.910 2.663 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000787907826 1076990430 /nfs/dbraw/zinc/99/04/30/1076990430.db2.gz BAUWNILEXGFTRD-ZCNNSNEGSA-N 1 1 403.567 2.753 20 0 HFADMO COc1ccccc1[C@@H](CNS(=O)(=O)c1cnc(Cl)c(F)c1)[NH+]1CCCC1 ZINC000787918859 1076996676 /nfs/dbraw/zinc/99/66/76/1076996676.db2.gz ZLHGFVVDLINUOV-MRXNPFEDSA-N 1 1 413.902 2.998 20 0 HFADMO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000787902108 1077004874 /nfs/dbraw/zinc/00/48/74/1077004874.db2.gz DOWCJLAONFZEEJ-PZJWPPBQSA-N 1 1 403.567 2.648 20 0 HFADMO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000787902106 1077004975 /nfs/dbraw/zinc/00/49/75/1077004975.db2.gz DOWCJLAONFZEEJ-CTNGQTDRSA-N 1 1 403.567 2.648 20 0 HFADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)CC1 ZINC000746721954 1077010793 /nfs/dbraw/zinc/01/07/93/1077010793.db2.gz XDEFLBZDFWDDOW-CQSZACIVSA-N 1 1 410.465 2.666 20 0 HFADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)CC3CCC4(CC3)OCCO4)cc2)CC1 ZINC000788091355 1077056247 /nfs/dbraw/zinc/05/62/47/1077056247.db2.gz PQRPBUNEAQHBBW-UHFFFAOYSA-N 1 1 415.534 2.726 20 0 HFADMO O=C(NOC[C@@H]1CCOC1)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000788120494 1077059133 /nfs/dbraw/zinc/05/91/33/1077059133.db2.gz VMGBJMCQTVQXNW-MRXNPFEDSA-N 1 1 400.479 2.573 20 0 HFADMO COc1cc(C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)cnc1Br ZINC000788159184 1077071430 /nfs/dbraw/zinc/07/14/30/1077071430.db2.gz NXZNARQWXXEQJU-UHFFFAOYSA-N 1 1 419.323 2.852 20 0 HFADMO CC(C)(C)SCCNC(=O)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000788378919 1077134567 /nfs/dbraw/zinc/13/45/67/1077134567.db2.gz IJZMANCALLXGAJ-UHFFFAOYSA-N 1 1 405.608 2.801 20 0 HFADMO S=c1n(CN2CCC(c3[nH+]cc4n3CCCC4)CC2)nnn1C1CCOCC1 ZINC000788380351 1077135988 /nfs/dbraw/zinc/13/59/88/1077135988.db2.gz HDQOXQNILZJKHJ-UHFFFAOYSA-N 1 1 403.556 2.530 20 0 HFADMO CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2cnccc2NC(=O)OC(C)(C)C)c1 ZINC000788429480 1077143846 /nfs/dbraw/zinc/14/38/46/1077143846.db2.gz KHEDBOJVFPCQAV-CQSZACIVSA-N 1 1 420.535 2.609 20 0 HFADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC3CCC4(CC3)OCCO4)cc2)C1 ZINC000788443518 1077161206 /nfs/dbraw/zinc/16/12/06/1077161206.db2.gz SCRWOKLHFRZMDI-LJQANCHMSA-N 1 1 415.534 2.646 20 0 HFADMO C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000788473655 1077171127 /nfs/dbraw/zinc/17/11/27/1077171127.db2.gz VKFOKGJFIBWVOL-WBMJQRKESA-N 1 1 407.312 2.945 20 0 HFADMO CCOC(=O)[C@@H]1[C@@H](NC[C@@H](c2ccccc2)[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000788504433 1077185253 /nfs/dbraw/zinc/18/52/53/1077185253.db2.gz QFPJKMMBOUBJIN-FHWLQOOXSA-N 1 1 405.539 2.820 20 0 HFADMO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1ccnc(N2CCN(C)CC2)c1 ZINC000788540530 1077194396 /nfs/dbraw/zinc/19/43/96/1077194396.db2.gz SRSNDEZYDWJRTC-UYAOXDASSA-N 1 1 417.598 2.959 20 0 HFADMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000788563191 1077201759 /nfs/dbraw/zinc/20/17/59/1077201759.db2.gz OMHCMENOMBGVJR-KBAYOESNSA-N 1 1 409.452 2.764 20 0 HFADMO C[C@H]1CN(c2ccc(NC(=O)N(C)CC[N@@H+]3CCOC(C)(C)C3)cc2)C[C@H](C)O1 ZINC000788587966 1077213890 /nfs/dbraw/zinc/21/38/90/1077213890.db2.gz HXAQTSQOBSYRMX-ROUUACIJSA-N 1 1 404.555 2.875 20 0 HFADMO C[C@H]1CN(c2ccc(NC(=O)N(C)CC[N@H+]3CCOC(C)(C)C3)cc2)C[C@H](C)O1 ZINC000788587966 1077213897 /nfs/dbraw/zinc/21/38/97/1077213897.db2.gz HXAQTSQOBSYRMX-ROUUACIJSA-N 1 1 404.555 2.875 20 0 HFADMO COC(=O)c1sc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c(C)c1Cl ZINC000788597939 1077218263 /nfs/dbraw/zinc/21/82/63/1077218263.db2.gz XHFWJCRYIUDNOZ-QWRGUYRKSA-N 1 1 408.973 2.895 20 0 HFADMO COC(=O)c1sc(S(=O)(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c(C)c1Cl ZINC000788597939 1077218268 /nfs/dbraw/zinc/21/82/68/1077218268.db2.gz XHFWJCRYIUDNOZ-QWRGUYRKSA-N 1 1 408.973 2.895 20 0 HFADMO C[NH+](C)[C@@H](CNC(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1Cl ZINC000788619881 1077231203 /nfs/dbraw/zinc/23/12/03/1077231203.db2.gz WMAXTPNYNLOOOC-DYVFJYSZSA-N 1 1 424.929 2.729 20 0 HFADMO CCC(C)(C)c1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000790928855 1077237054 /nfs/dbraw/zinc/23/70/54/1077237054.db2.gz YKKDYZSVPRWAEJ-FQEVSTJZSA-N 1 1 400.567 2.551 20 0 HFADMO CCC(C)(C)c1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000790960499 1077254877 /nfs/dbraw/zinc/25/48/77/1077254877.db2.gz ZQNKXNVUJVCJEC-OAQYLSRUSA-N 1 1 414.594 2.940 20 0 HFADMO CCC(C)(C)c1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000790960499 1077254880 /nfs/dbraw/zinc/25/48/80/1077254880.db2.gz ZQNKXNVUJVCJEC-OAQYLSRUSA-N 1 1 414.594 2.940 20 0 HFADMO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC[N@H+]1C ZINC000788658294 1077255295 /nfs/dbraw/zinc/25/52/95/1077255295.db2.gz MLIQDFJWDJPRCP-XCLNPWKQSA-N 1 1 410.518 2.519 20 0 HFADMO CCN1CC[NH+](CCC(=O)N2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000791038175 1077279247 /nfs/dbraw/zinc/27/92/47/1077279247.db2.gz KBRPQXIXHAHKHA-UHFFFAOYSA-N 1 1 422.614 2.654 20 0 HFADMO O=C(NC[C@H]1CCC[N@H+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)C1)c1ccccc1 ZINC000788772956 1077296419 /nfs/dbraw/zinc/29/64/19/1077296419.db2.gz VKTFQYULLLJKTF-IRLDBZIGSA-N 1 1 419.525 2.704 20 0 HFADMO O=C(NC[C@H]1CCC[N@@H+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)C1)c1ccccc1 ZINC000788772956 1077296425 /nfs/dbraw/zinc/29/64/25/1077296425.db2.gz VKTFQYULLLJKTF-IRLDBZIGSA-N 1 1 419.525 2.704 20 0 HFADMO C[N@@H+](C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)[C@H](CCO)c1ccccc1 ZINC000788847045 1077318335 /nfs/dbraw/zinc/31/83/35/1077318335.db2.gz PDRCRONXIGCOFV-AZUAARDMSA-N 1 1 419.566 2.805 20 0 HFADMO CC(C)[C@H](CNC(=O)N(C)[C@H](C)c1cccc(N2CCOC2=O)c1)[NH+]1CCOCC1 ZINC000788853303 1077320698 /nfs/dbraw/zinc/32/06/98/1077320698.db2.gz JQCSLOFTELQYTI-XLIONFOSSA-N 1 1 418.538 2.702 20 0 HFADMO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000791169307 1077325408 /nfs/dbraw/zinc/32/54/08/1077325408.db2.gz XERZZGYINOLXAD-OAQYLSRUSA-N 1 1 413.493 2.882 20 0 HFADMO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000791169307 1077325415 /nfs/dbraw/zinc/32/54/15/1077325415.db2.gz XERZZGYINOLXAD-OAQYLSRUSA-N 1 1 413.493 2.882 20 0 HFADMO COCCC[N@@H+](C)CCNC(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000788875607 1077326208 /nfs/dbraw/zinc/32/62/08/1077326208.db2.gz CROIAHQWZFGBFC-UHFFFAOYSA-N 1 1 419.566 2.720 20 0 HFADMO C[C@H]1C[N@H+](Cc2cccc(CNS(=O)(=O)C3=Cc4ccccc4OC3)c2)CCO1 ZINC000788886436 1077330545 /nfs/dbraw/zinc/33/05/45/1077330545.db2.gz RVQZMHGLOCOXOZ-KRWDZBQOSA-N 1 1 414.527 2.760 20 0 HFADMO C[C@H]1C[N@@H+](Cc2cccc(CNS(=O)(=O)C3=Cc4ccccc4OC3)c2)CCO1 ZINC000788886436 1077330548 /nfs/dbraw/zinc/33/05/48/1077330548.db2.gz RVQZMHGLOCOXOZ-KRWDZBQOSA-N 1 1 414.527 2.760 20 0 HFADMO CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2c[nH+]c3n2CCCC3)ccc1Cl ZINC000791396149 1077398170 /nfs/dbraw/zinc/39/81/70/1077398170.db2.gz BSHQINYNGUCUIT-UHFFFAOYSA-N 1 1 424.954 2.833 20 0 HFADMO Cc1ccc(C)c(N2N=C(C(=O)OCCC[NH+]3CCN(C(C)C)CC3)CCC2=O)c1 ZINC000791478663 1077420081 /nfs/dbraw/zinc/42/00/81/1077420081.db2.gz QZZXBYNPXNPEKS-UHFFFAOYSA-N 1 1 414.550 2.746 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](CCS(=O)(=O)Cc3ccccc3)C2)C1 ZINC000791494662 1077432788 /nfs/dbraw/zinc/43/27/88/1077432788.db2.gz WSHUGTVCBKMISY-NRFANRHFSA-N 1 1 408.564 2.934 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](CCS(=O)(=O)Cc3ccccc3)C2)C1 ZINC000791494662 1077432792 /nfs/dbraw/zinc/43/27/92/1077432792.db2.gz WSHUGTVCBKMISY-NRFANRHFSA-N 1 1 408.564 2.934 20 0 HFADMO O=C(NCc1ccc(F)cc1)C1CC[NH+](CCS(=O)(=O)Cc2ccccc2)CC1 ZINC000791474093 1077445389 /nfs/dbraw/zinc/44/53/89/1077445389.db2.gz WOKWLXUQCOOGMW-UHFFFAOYSA-N 1 1 418.534 2.769 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@@H](NC(=O)c2ccco2)c2ccccc2)CC1 ZINC000791571577 1077466283 /nfs/dbraw/zinc/46/62/83/1077466283.db2.gz FJBCOSWTKCFVLS-NRFANRHFSA-N 1 1 413.518 2.710 20 0 HFADMO C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O ZINC000791564865 1077482064 /nfs/dbraw/zinc/48/20/64/1077482064.db2.gz AQKCFLWENQITQY-WNYGOXNBSA-N 1 1 407.923 2.975 20 0 HFADMO C[C@H](OC(=O)c1cn(C)nc1-c1ccoc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000789262344 1077487671 /nfs/dbraw/zinc/48/76/71/1077487671.db2.gz UMAPVCRMZDMAGM-LPHOPBHVSA-N 1 1 422.485 2.616 20 0 HFADMO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791619071 1077489752 /nfs/dbraw/zinc/48/97/52/1077489752.db2.gz LAPLUQWIPYULHA-RYQLBKOJSA-N 1 1 405.502 2.659 20 0 HFADMO CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+](C[C@H](O)CC3CCCC3)C2)CC1 ZINC000789309790 1077509259 /nfs/dbraw/zinc/50/92/59/1077509259.db2.gz LPCPUXLKDVOANV-WOJBJXKFSA-N 1 1 423.598 2.719 20 0 HFADMO CCOc1nc(C)ccc1C(=O)O[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000791647601 1077510462 /nfs/dbraw/zinc/51/04/62/1077510462.db2.gz HEPAEJQRFLVJLJ-HKUYNNGSSA-N 1 1 411.502 2.725 20 0 HFADMO C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000789330339 1077523843 /nfs/dbraw/zinc/52/38/43/1077523843.db2.gz CVDXAKKOSHHYPH-SNVBAGLBSA-N 1 1 409.399 2.752 20 0 HFADMO C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000789330339 1077523845 /nfs/dbraw/zinc/52/38/45/1077523845.db2.gz CVDXAKKOSHHYPH-SNVBAGLBSA-N 1 1 409.399 2.752 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)c2cccc(NC(=O)c3cccnc3)c2)CC1 ZINC000791705782 1077534308 /nfs/dbraw/zinc/53/43/08/1077534308.db2.gz YBCUSKKVGLFIQS-UHFFFAOYSA-N 1 1 410.518 2.907 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000789364109 1077538584 /nfs/dbraw/zinc/53/85/84/1077538584.db2.gz MNFFCOAHKSPKLL-FOIQADDNSA-N 1 1 418.515 2.773 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000789364109 1077538589 /nfs/dbraw/zinc/53/85/89/1077538589.db2.gz MNFFCOAHKSPKLL-FOIQADDNSA-N 1 1 418.515 2.773 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC(=O)NCCN1CCc2ccccc21 ZINC000789364122 1077538827 /nfs/dbraw/zinc/53/88/27/1077538827.db2.gz HMUCUPSJRXJOMJ-SFHVURJKSA-N 1 1 422.529 2.815 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC(=O)NCCN1CCc2ccccc21 ZINC000789364122 1077538831 /nfs/dbraw/zinc/53/88/31/1077538831.db2.gz HMUCUPSJRXJOMJ-SFHVURJKSA-N 1 1 422.529 2.815 20 0 HFADMO COC(=O)c1cc(NC(=O)C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)ccc1F ZINC000746809884 1077551092 /nfs/dbraw/zinc/55/10/92/1077551092.db2.gz GGXLRLJVSSRVOK-OAHLLOKOSA-N 1 1 415.465 2.578 20 0 HFADMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1sccc1S(=O)(=O)C(F)F ZINC000791827729 1077576274 /nfs/dbraw/zinc/57/62/74/1077576274.db2.gz ICTIVUZSPNQUNC-CQSZACIVSA-N 1 1 414.499 2.996 20 0 HFADMO C[C@]1(c2ccc(Br)cc2)NC(=O)N(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)C1=O ZINC000789507805 1077601367 /nfs/dbraw/zinc/60/13/67/1077601367.db2.gz PIMHGXKUOAFYPP-JTDSTZFVSA-N 1 1 422.323 2.817 20 0 HFADMO C[C@]1(c2ccc(Br)cc2)NC(=O)N(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)C1=O ZINC000789507805 1077601371 /nfs/dbraw/zinc/60/13/71/1077601371.db2.gz PIMHGXKUOAFYPP-JTDSTZFVSA-N 1 1 422.323 2.817 20 0 HFADMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O ZINC000791980691 1077620737 /nfs/dbraw/zinc/62/07/37/1077620737.db2.gz MWPNVVLQNHDLFE-ILXZRYGISA-N 1 1 424.545 2.630 20 0 HFADMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000791980694 1077620855 /nfs/dbraw/zinc/62/08/55/1077620855.db2.gz MWPNVVLQNHDLFE-JAOJYNAYSA-N 1 1 424.545 2.630 20 0 HFADMO CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(C[NH+]2CCC3(CCOCC3)CC2)C1=O ZINC000789528967 1077624295 /nfs/dbraw/zinc/62/42/95/1077624295.db2.gz GQTJOXMXBSCBMT-QFIPXVFZSA-N 1 1 401.507 2.702 20 0 HFADMO C[C@@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(C[N@@H+]2CC[C@@]3(C2)CCCOC3)C1=O ZINC000789547374 1077639575 /nfs/dbraw/zinc/63/95/75/1077639575.db2.gz VRBKHELIBBHEDI-RBUKOAKNSA-N 1 1 411.424 2.932 20 0 HFADMO C[C@@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(C[N@H+]2CC[C@@]3(C2)CCCOC3)C1=O ZINC000789547374 1077639578 /nfs/dbraw/zinc/63/95/78/1077639578.db2.gz VRBKHELIBBHEDI-RBUKOAKNSA-N 1 1 411.424 2.932 20 0 HFADMO C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1 ZINC000789565752 1077645932 /nfs/dbraw/zinc/64/59/32/1077645932.db2.gz ULBWYTTYUADFJJ-CYBMUJFWSA-N 1 1 404.417 2.691 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000792012776 1077649041 /nfs/dbraw/zinc/64/90/41/1077649041.db2.gz SQFQMEGIXURFJF-UHFFFAOYSA-N 1 1 400.523 2.769 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)C2)c1 ZINC000792059138 1077665924 /nfs/dbraw/zinc/66/59/24/1077665924.db2.gz XINRGIFVCXADBY-MRUHUIDDSA-N 1 1 403.523 2.681 20 0 HFADMO C[C@@H](COc1cccc(F)c1)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792073302 1077680248 /nfs/dbraw/zinc/68/02/48/1077680248.db2.gz CXYSNMMQYBMWBX-INIZCTEOSA-N 1 1 409.502 2.652 20 0 HFADMO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000746836241 1077684197 /nfs/dbraw/zinc/68/41/97/1077684197.db2.gz CWZXFRQEWQUFRQ-INIZCTEOSA-N 1 1 418.538 2.516 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCc2ccccc2OC(F)F)CC1 ZINC000792036496 1077687594 /nfs/dbraw/zinc/68/75/94/1077687594.db2.gz TZTANHXFSJDMIY-UHFFFAOYSA-N 1 1 413.465 2.847 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCc2cn3cc(Cl)ccc3n2)CC1 ZINC000792042558 1077690604 /nfs/dbraw/zinc/69/06/04/1077690604.db2.gz RCGZJFAUJCKWIU-UHFFFAOYSA-N 1 1 421.929 2.547 20 0 HFADMO COc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CC(c4cccc(OC)c4)=NO3)CC2)cc1 ZINC000792045356 1077691490 /nfs/dbraw/zinc/69/14/90/1077691490.db2.gz SEIWWUWHBBCPNZ-HSZRJFAPSA-N 1 1 423.513 2.931 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000792079478 1077704100 /nfs/dbraw/zinc/70/41/00/1077704100.db2.gz NGQGZXLBOXPOBN-KRWDZBQOSA-N 1 1 413.275 2.958 20 0 HFADMO COc1cccc(-c2nc(C)c(C(=O)OCCCN3CC[NH+](C(C)C)CC3)[nH]2)c1 ZINC000792089870 1077711192 /nfs/dbraw/zinc/71/11/92/1077711192.db2.gz INONVIKTDXBSBT-UHFFFAOYSA-N 1 1 400.523 2.967 20 0 HFADMO CC[NH+]1CCN(c2ccc(C(=O)Oc3ccc(-c4ncnn4C)cc3)cc2F)CC1 ZINC000792130918 1077716444 /nfs/dbraw/zinc/71/64/44/1077716444.db2.gz QLIXMVJINZPAMS-UHFFFAOYSA-N 1 1 409.465 2.982 20 0 HFADMO CC(C)[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1nc(C2CC2)no1 ZINC000792129332 1077716490 /nfs/dbraw/zinc/71/64/90/1077716490.db2.gz UPWGEBAWVNOWLB-KRWDZBQOSA-N 1 1 421.542 2.703 20 0 HFADMO COc1ccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1OC ZINC000792129054 1077716571 /nfs/dbraw/zinc/71/65/71/1077716571.db2.gz SWXMTADMXVAYNZ-UHFFFAOYSA-N 1 1 423.510 2.594 20 0 HFADMO COc1cccc(C2=NO[C@@H](C(=O)NC[C@H]3CC[N@@H+](CCc4ccccc4)C3)C2)c1 ZINC000792137441 1077718985 /nfs/dbraw/zinc/71/89/85/1077718985.db2.gz RHRRSDDJVZWTOW-AUSIDOKSSA-N 1 1 407.514 2.869 20 0 HFADMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000792150410 1077723459 /nfs/dbraw/zinc/72/34/59/1077723459.db2.gz QEUDZOCHBSZPMM-XZOQPEGZSA-N 1 1 420.557 2.999 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@@H]2C[C@]23CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000792161433 1077727180 /nfs/dbraw/zinc/72/71/80/1077727180.db2.gz SVBFMKHZHBKHBU-AVRDEDQJSA-N 1 1 409.571 2.593 20 0 HFADMO CN(C)C(=O)[C@@H]([NH2+]Cc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)c1ccccc1 ZINC000789695712 1077732527 /nfs/dbraw/zinc/73/25/27/1077732527.db2.gz DKUASZGVVJLRTI-RDPSFJRHSA-N 1 1 420.513 2.831 20 0 HFADMO COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000792181445 1077737046 /nfs/dbraw/zinc/73/70/46/1077737046.db2.gz ZVMURGPVUWRBOQ-HOJAQTOUSA-N 1 1 402.539 2.675 20 0 HFADMO O=C1O[C@@H](C[NH+]2CCN(CCCc3nc(-c4cccs4)no3)CC2)CC12CCC2 ZINC000792196092 1077741356 /nfs/dbraw/zinc/74/13/56/1077741356.db2.gz ISKMNJPDRUHHHT-MRXNPFEDSA-N 1 1 416.547 2.834 20 0 HFADMO O=C1O[C@@H](CN2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)CC12CCC2 ZINC000792196092 1077741361 /nfs/dbraw/zinc/74/13/61/1077741361.db2.gz ISKMNJPDRUHHHT-MRXNPFEDSA-N 1 1 416.547 2.834 20 0 HFADMO Cc1csc([C@@H](NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C2CC2)n1 ZINC000792199610 1077742691 /nfs/dbraw/zinc/74/26/91/1077742691.db2.gz JIRKTPQVMMSJFG-KRWDZBQOSA-N 1 1 408.568 2.962 20 0 HFADMO C[C@@H](NC(=O)c1nc(Br)ccc1F)C1([NH+]2CCOCC2)CCCC1 ZINC000792200407 1077743430 /nfs/dbraw/zinc/74/34/30/1077743430.db2.gz OQFUUZKKLYJUDE-GFCCVEGCSA-N 1 1 400.292 2.747 20 0 HFADMO C[C@@H](C[C@H](O)c1ccccc1)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792220714 1077747142 /nfs/dbraw/zinc/74/71/42/1077747142.db2.gz LOYBREXNUDZUCO-HKUYNNGSSA-N 1 1 405.539 2.558 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2ccccc2O[C@@H]2CCOC2)CC1 ZINC000792226672 1077751575 /nfs/dbraw/zinc/75/15/75/1077751575.db2.gz VBVRPXXNQRRITJ-QGZVFWFLSA-N 1 1 419.522 2.736 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCc2ccn(C3CCCC3)n2)CC1 ZINC000792241752 1077761121 /nfs/dbraw/zinc/76/11/21/1077761121.db2.gz NPPIXZSKURINKF-UHFFFAOYSA-N 1 1 405.543 2.557 20 0 HFADMO Cn1cc([C@@H](NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C(C)(C)C)cn1 ZINC000792212708 1077767087 /nfs/dbraw/zinc/76/70/87/1077767087.db2.gz CBLKGVLOZNCSOK-GOSISDBHSA-N 1 1 407.559 2.566 20 0 HFADMO C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1ccc([S@](C)=O)cc1 ZINC000792279020 1077772613 /nfs/dbraw/zinc/77/26/13/1077772613.db2.gz QBIBUXKDGFBSBP-BCOMRZATSA-N 1 1 423.579 2.544 20 0 HFADMO CN(C)c1ccc(NC(=O)CC[N@@H+]2CCn3c(CCc4ccccc4)nnc3C2)cc1 ZINC000792254352 1077781228 /nfs/dbraw/zinc/78/12/28/1077781228.db2.gz IUESMVHHGVRQAX-UHFFFAOYSA-N 1 1 418.545 2.974 20 0 HFADMO CN(C)c1ccc(NC(=O)CC[N@H+]2CCn3c(CCc4ccccc4)nnc3C2)cc1 ZINC000792254352 1077781233 /nfs/dbraw/zinc/78/12/33/1077781233.db2.gz IUESMVHHGVRQAX-UHFFFAOYSA-N 1 1 418.545 2.974 20 0 HFADMO Cc1nc(Cl)ccc1NC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000789780257 1077789165 /nfs/dbraw/zinc/78/91/65/1077789165.db2.gz LWCLYAQSSJGTGE-MRXNPFEDSA-N 1 1 418.950 2.716 20 0 HFADMO Cc1nc(Cl)ccc1NC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000789780257 1077789170 /nfs/dbraw/zinc/78/91/70/1077789170.db2.gz LWCLYAQSSJGTGE-MRXNPFEDSA-N 1 1 418.950 2.716 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2cncc(Br)c2)CC1 ZINC000792274716 1077789568 /nfs/dbraw/zinc/78/95/68/1077789568.db2.gz IFRWMPJTDIQABE-UHFFFAOYSA-N 1 1 413.316 2.725 20 0 HFADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)CC2(NC(=O)OC(C)(C)C)CCC2)cc1 ZINC000746858513 1077790178 /nfs/dbraw/zinc/79/01/78/1077790178.db2.gz CVAXVCPICCMAEL-UHFFFAOYSA-N 1 1 404.511 2.963 20 0 HFADMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000746859972 1077794734 /nfs/dbraw/zinc/79/47/34/1077794734.db2.gz XIAIJWCVAMINIX-HBFSDRIKSA-N 1 1 419.566 2.895 20 0 HFADMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000746859972 1077794741 /nfs/dbraw/zinc/79/47/41/1077794741.db2.gz XIAIJWCVAMINIX-HBFSDRIKSA-N 1 1 419.566 2.895 20 0 HFADMO Cc1ccc2c(c1)CCN(C(=O)C(=O)Nc1ccc(N3CCC[N@H+](C)CC3)cc1)C2 ZINC000792299897 1077794915 /nfs/dbraw/zinc/79/49/15/1077794915.db2.gz WGELSPDUFPKJBJ-UHFFFAOYSA-N 1 1 406.530 2.660 20 0 HFADMO CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792303433 1077797091 /nfs/dbraw/zinc/79/70/91/1077797091.db2.gz GFJAPMCQGVCGSL-OXJNMPFZSA-N 1 1 423.529 2.961 20 0 HFADMO CC[C@@H](CO)N(Cc1ccccc1)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792313616 1077802779 /nfs/dbraw/zinc/80/27/79/1077802779.db2.gz VLPYWIUDOZTKRI-FQEVSTJZSA-N 1 1 419.566 2.729 20 0 HFADMO C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCSC(C)(C)CC3)cc2)CC1 ZINC000789796700 1077803223 /nfs/dbraw/zinc/80/32/23/1077803223.db2.gz KNRCNKMGHCLNME-UHFFFAOYSA-N 1 1 404.580 2.511 20 0 HFADMO CCn1cc([C@H](O)C[N@H+](CC(=O)NCc2ccccc2F)Cc2ccccc2)cn1 ZINC000792364236 1077816682 /nfs/dbraw/zinc/81/66/82/1077816682.db2.gz FGKWCNVOHXVUNC-JOCHJYFZSA-N 1 1 410.493 2.894 20 0 HFADMO CCn1cc([C@H](O)C[N@@H+](CC(=O)NCc2ccccc2F)Cc2ccccc2)cn1 ZINC000792364236 1077816689 /nfs/dbraw/zinc/81/66/89/1077816689.db2.gz FGKWCNVOHXVUNC-JOCHJYFZSA-N 1 1 410.493 2.894 20 0 HFADMO CCn1cc([C@H](O)C[N@@H+](CCN2C(=O)c3ccccc3C2=O)Cc2ccccc2)cn1 ZINC000792366105 1077817166 /nfs/dbraw/zinc/81/71/66/1077817166.db2.gz QWAJGFWJNAJCBO-JOCHJYFZSA-N 1 1 418.497 2.735 20 0 HFADMO COc1ccccc1-c1nc(C2CC[NH+](CC(=O)NCc3ccccn3)CC2)no1 ZINC000792332625 1077822184 /nfs/dbraw/zinc/82/21/84/1077822184.db2.gz CFGCMKNXTAYTME-UHFFFAOYSA-N 1 1 407.474 2.636 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CC[C@@]3(C2)OCc2ccccc23)CC1 ZINC000792335557 1077824519 /nfs/dbraw/zinc/82/45/19/1077824519.db2.gz OTVZLWVXPFYMOZ-QHCPKHFHSA-N 1 1 415.534 2.587 20 0 HFADMO CN(C(=O)c1ccc(NCc2cc(Br)nn2C)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000789889453 1077838001 /nfs/dbraw/zinc/83/80/01/1077838001.db2.gz GZGWPVZPZPOGFL-INIZCTEOSA-N 1 1 420.355 2.961 20 0 HFADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC000746859840 1077844901 /nfs/dbraw/zinc/84/49/01/1077844901.db2.gz VRHKFHVGPAKNCE-RTBURBONSA-N 1 1 418.582 2.816 20 0 HFADMO O=C(CC[NH+]1CCOCC1)Nc1cc(NC(=O)c2nc(Cl)cs2)ccc1F ZINC000789899519 1077855262 /nfs/dbraw/zinc/85/52/62/1077855262.db2.gz YEPLCPJEMQTZRB-UHFFFAOYSA-N 1 1 412.874 2.849 20 0 HFADMO CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000789937862 1077859714 /nfs/dbraw/zinc/85/97/14/1077859714.db2.gz WXORZCLESKPPEQ-HNNXBMFYSA-N 1 1 421.504 2.619 20 0 HFADMO CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000789937862 1077859719 /nfs/dbraw/zinc/85/97/19/1077859719.db2.gz WXORZCLESKPPEQ-HNNXBMFYSA-N 1 1 421.504 2.619 20 0 HFADMO CC(C)[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@H](O)c1ccccc1 ZINC000792491248 1077864577 /nfs/dbraw/zinc/86/45/77/1077864577.db2.gz JNWHBAOBINXKEO-LEWJYISDSA-N 1 1 419.566 2.804 20 0 HFADMO CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792497373 1077868058 /nfs/dbraw/zinc/86/80/58/1077868058.db2.gz JGAWETVTTLKHAL-QZTJIDSGSA-N 1 1 405.564 2.935 20 0 HFADMO CCNC(=O)CN(C)Cn1nc(C[NH+]2CCCC2)n(-c2ccc(Cl)cc2)c1=S ZINC000747074434 1077878325 /nfs/dbraw/zinc/87/83/25/1077878325.db2.gz QLLMQNYAHSPMQA-UHFFFAOYSA-N 1 1 422.986 2.678 20 0 HFADMO CC[C@@H]1C[C@H]([N@H+]2C[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C[C@]3(C(=O)OC)C2)CCO1 ZINC001170207209 1077906558 /nfs/dbraw/zinc/90/65/58/1077906558.db2.gz KGOSOPFFSIBLGA-MFHCSOCLSA-N 1 1 422.566 2.922 20 0 HFADMO Cc1cc(C)c(C(N)=O)c(NC[C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)[nH+]1 ZINC001170208816 1077907646 /nfs/dbraw/zinc/90/76/46/1077907646.db2.gz OWJOMXZIHPQEHP-CABCVRRESA-N 1 1 407.511 2.851 20 0 HFADMO CC[C@@H]1C[C@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)CCO1 ZINC001170215980 1077909284 /nfs/dbraw/zinc/90/92/84/1077909284.db2.gz GDBYNRWLPMIBPZ-FQBWVUSXSA-N 1 1 402.568 2.662 20 0 HFADMO CC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1Br ZINC000790008613 1077911012 /nfs/dbraw/zinc/91/10/12/1077911012.db2.gz UQCVJWBHAKXXCK-CYBMUJFWSA-N 1 1 403.342 2.803 20 0 HFADMO CC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)ccc1Br ZINC000790008613 1077911013 /nfs/dbraw/zinc/91/10/13/1077911013.db2.gz UQCVJWBHAKXXCK-CYBMUJFWSA-N 1 1 403.342 2.803 20 0 HFADMO CC[C@H]1C[C@H](NC(=[NH2+])NCCC[C@H](N)C(=O)Nc2ccc3ccccc3c2)CCO1 ZINC001170200908 1077912702 /nfs/dbraw/zinc/91/27/02/1077912702.db2.gz AJGLCEOBJYFGEA-HKBOAZHASA-N 1 1 411.550 2.957 20 0 HFADMO CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cc(OC)c(OC)c(OC)c3)C2)CCO1 ZINC001170236219 1077914067 /nfs/dbraw/zinc/91/40/67/1077914067.db2.gz CQRZJADEWMZGFS-FGTMMUONSA-N 1 1 406.523 2.864 20 0 HFADMO CC[C@H]1C[C@@H]([N@H+]2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CC)[C@H]3CC2)CCO1 ZINC001170222223 1077916616 /nfs/dbraw/zinc/91/66/16/1077916616.db2.gz PVAOFSSKRIPRIR-VJANTYMQSA-N 1 1 408.564 2.880 20 0 HFADMO C[C@@H](Cc1ccccc1Cl)[N@H+]1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cnccn2)C1 ZINC001170275903 1077926920 /nfs/dbraw/zinc/92/69/20/1077926920.db2.gz ZQVMUCPYCVNMIR-QUJKESNLSA-N 1 1 414.937 2.828 20 0 HFADMO Cc1cccc(S(=O)(=O)CCC[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1 ZINC001170280135 1077936196 /nfs/dbraw/zinc/93/61/96/1077936196.db2.gz AZQGZHKIASCWNT-HOTGVXAUSA-N 1 1 418.481 2.501 20 0 HFADMO Cc1cccc(S(=O)(=O)CCC[N@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1 ZINC001170280135 1077936199 /nfs/dbraw/zinc/93/61/99/1077936199.db2.gz AZQGZHKIASCWNT-HOTGVXAUSA-N 1 1 418.481 2.501 20 0 HFADMO CC1(C)C[C@@H](O)CC[N@@H+](CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)C1 ZINC001170307764 1077948083 /nfs/dbraw/zinc/94/80/83/1077948083.db2.gz HXANAKQEYGMJKU-SFHVURJKSA-N 1 1 402.535 2.826 20 0 HFADMO CCOc1cc2c(cc1/C=C\C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)O[C@@H](C)C2 ZINC000790123509 1077958425 /nfs/dbraw/zinc/95/84/25/1077958425.db2.gz FUTZASKIYQAPFY-QWPQOLDESA-N 1 1 402.535 2.991 20 0 HFADMO CCOc1cc2c(cc1/C=C\C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)O[C@@H](C)C2 ZINC000790123509 1077958426 /nfs/dbraw/zinc/95/84/26/1077958426.db2.gz FUTZASKIYQAPFY-QWPQOLDESA-N 1 1 402.535 2.991 20 0 HFADMO O=C(COC(=O)[C@@H]1CCC(=O)c2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000792661238 1077962139 /nfs/dbraw/zinc/96/21/39/1077962139.db2.gz RVKMNQQRPHTMCS-OAQYLSRUSA-N 1 1 406.482 2.634 20 0 HFADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)CCCNC(=O)OC(C)(C)C)n2)c1C ZINC000790160430 1077962693 /nfs/dbraw/zinc/96/26/93/1077962693.db2.gz FOGYIENWOQPCFM-UHFFFAOYSA-N 1 1 418.498 2.590 20 0 HFADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)c3ccc(N4CCOC4=O)cc3)n2)c1C ZINC000790163102 1077963658 /nfs/dbraw/zinc/96/36/58/1077963658.db2.gz XYNVKAUVGKUTPE-UHFFFAOYSA-N 1 1 422.445 2.556 20 0 HFADMO CC(C)c1nnc(N(C)CCOc2ccccc2Cl)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001691696231 1077965488 /nfs/dbraw/zinc/96/54/88/1077965488.db2.gz RMQGNEJZVGFPTE-FQEVSTJZSA-N 1 1 407.946 2.637 20 0 HFADMO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000790187455 1077966794 /nfs/dbraw/zinc/96/67/94/1077966794.db2.gz BCTCQDDGPBZFCG-UGKGYDQZSA-N 1 1 411.550 2.633 20 0 HFADMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccnc1I ZINC000792671411 1077969574 /nfs/dbraw/zinc/96/95/74/1077969574.db2.gz YMMVSXBNTVTMEO-HNNXBMFYSA-N 1 1 421.282 2.938 20 0 HFADMO COc1csc(C(=O)OCC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c1 ZINC000747085801 1077980901 /nfs/dbraw/zinc/98/09/01/1077980901.db2.gz FEKIPFAVWIEUEO-UHFFFAOYSA-N 1 1 402.516 2.956 20 0 HFADMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2ccc(-n3cc[nH]c3=S)cc2)C[C@@H](C)O1 ZINC000746888526 1077981203 /nfs/dbraw/zinc/98/12/03/1077981203.db2.gz ZNQVKUQZMWTZLM-GPMSIDNRSA-N 1 1 400.548 2.875 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@H]3CC(c4cccnc4)=NO3)cc2)C[C@H](C)O1 ZINC000790288158 1077986159 /nfs/dbraw/zinc/98/61/59/1077986159.db2.gz FKZSGCOVNAPHHI-HYFFOGBASA-N 1 1 408.502 2.500 20 0 HFADMO S=C(NCCc1ccc2c(c1)OCCO2)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000772821254 1077992545 /nfs/dbraw/zinc/99/25/45/1077992545.db2.gz WWYZQFXWUAQJSN-PKOBYXMFSA-N 1 1 401.576 2.824 20 0 HFADMO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@H]1CCN(C2CCOCC2)C1=O ZINC000790312730 1077994467 /nfs/dbraw/zinc/99/44/67/1077994467.db2.gz RVHVWJVEKVRHQZ-DQXYTYHJSA-N 1 1 407.555 2.677 20 0 HFADMO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000790314554 1077994932 /nfs/dbraw/zinc/99/49/32/1077994932.db2.gz MTPHKTCIDLVQOA-UZLBHIALSA-N 1 1 401.532 2.518 20 0 HFADMO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000790314554 1077994937 /nfs/dbraw/zinc/99/49/37/1077994937.db2.gz MTPHKTCIDLVQOA-UZLBHIALSA-N 1 1 401.532 2.518 20 0 HFADMO O=C1O[C@]2(CN1CNC1(c3ccc(Cl)cc3)CCOCC1)C[NH+]1CCC2CC1 ZINC000790362076 1078004478 /nfs/dbraw/zinc/00/44/78/1078004478.db2.gz JINOAFRMJAABQJ-NRFANRHFSA-N 1 1 405.926 2.809 20 0 HFADMO CC(C)(C)OC(=O)NCC[N@H+](Cc1ccccc1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000790339663 1078007067 /nfs/dbraw/zinc/00/70/67/1078007067.db2.gz UTAAXZSNYNZOPF-HXUWFJFHSA-N 1 1 417.550 2.793 20 0 HFADMO CC(C)(C)OC(=O)NCC[N@@H+](Cc1ccccc1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000790339663 1078007073 /nfs/dbraw/zinc/00/70/73/1078007073.db2.gz UTAAXZSNYNZOPF-HXUWFJFHSA-N 1 1 417.550 2.793 20 0 HFADMO C[C@@]1(NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000792858902 1078010255 /nfs/dbraw/zinc/01/02/55/1078010255.db2.gz MWFXEXUVVQPOKU-PGRDOPGGSA-N 1 1 400.523 2.571 20 0 HFADMO Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)c2cccnc2OC(C)C)CC1 ZINC000792838913 1078012495 /nfs/dbraw/zinc/01/24/95/1078012495.db2.gz POKWTTHUXABEMD-UHFFFAOYSA-N 1 1 411.502 2.678 20 0 HFADMO CS(=O)(=O)c1ccc([C@@H](O)C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)cc1 ZINC000792883874 1078016869 /nfs/dbraw/zinc/01/68/69/1078016869.db2.gz LDCASOXCHZSHFB-FQEVSTJZSA-N 1 1 410.486 2.614 20 0 HFADMO CS(=O)(=O)c1ccc([C@@H](O)C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)cc1 ZINC000792883874 1078016872 /nfs/dbraw/zinc/01/68/72/1078016872.db2.gz LDCASOXCHZSHFB-FQEVSTJZSA-N 1 1 410.486 2.614 20 0 HFADMO O=C(C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000792886613 1078017036 /nfs/dbraw/zinc/01/70/36/1078017036.db2.gz WWQNXKJHHJONTK-UHFFFAOYSA-N 1 1 401.417 2.698 20 0 HFADMO O=C(C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000792886613 1078017042 /nfs/dbraw/zinc/01/70/42/1078017042.db2.gz WWQNXKJHHJONTK-UHFFFAOYSA-N 1 1 401.417 2.698 20 0 HFADMO C[C@]12CC[N@H+](CC(=O)N3CCC(NC(=O)c4ccccc4)CC3)C[C@H]1C2(Cl)Cl ZINC000792897247 1078018998 /nfs/dbraw/zinc/01/89/98/1078018998.db2.gz AJGQCEOROXRNIQ-XLIONFOSSA-N 1 1 424.372 2.923 20 0 HFADMO C[C@]12CC[N@@H+](CC(=O)N3CCC(NC(=O)c4ccccc4)CC3)C[C@H]1C2(Cl)Cl ZINC000792897247 1078019003 /nfs/dbraw/zinc/01/90/03/1078019003.db2.gz AJGQCEOROXRNIQ-XLIONFOSSA-N 1 1 424.372 2.923 20 0 HFADMO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000792908545 1078020886 /nfs/dbraw/zinc/02/08/86/1078020886.db2.gz PIDBUKISVJPYBP-SIKLNZKXSA-N 1 1 402.539 2.819 20 0 HFADMO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000792923197 1078026822 /nfs/dbraw/zinc/02/68/22/1078026822.db2.gz BLMBZOBGHXHPAD-AWEZNQCLSA-N 1 1 409.531 2.710 20 0 HFADMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000792923197 1078026828 /nfs/dbraw/zinc/02/68/28/1078026828.db2.gz BLMBZOBGHXHPAD-AWEZNQCLSA-N 1 1 409.531 2.710 20 0 HFADMO COC(=O)C1=C(C[NH+]2CCC(c3c[nH]nc3C)CC2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000792926797 1078027516 /nfs/dbraw/zinc/02/75/16/1078027516.db2.gz OUDVIAUFBCSRJM-NRFANRHFSA-N 1 1 423.517 2.721 20 0 HFADMO C[C@@H]1C[N@H+](C[C@@H](O)CCNC(=O)OC(C)(C)C)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000792973969 1078030527 /nfs/dbraw/zinc/03/05/27/1078030527.db2.gz PFIODEZOOSTVIW-XHSDSOJGSA-N 1 1 401.548 2.592 20 0 HFADMO COC(=O)c1c2cnn(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)c2ccc1Br ZINC000790442661 1078033178 /nfs/dbraw/zinc/03/31/78/1078033178.db2.gz OGSNOJVGLNUHAF-XJKSGUPXSA-N 1 1 421.339 2.959 20 0 HFADMO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)nc1Br ZINC000792952953 1078034103 /nfs/dbraw/zinc/03/41/03/1078034103.db2.gz LMZIESJRNMPLMZ-LBPRGKRZSA-N 1 1 411.325 2.572 20 0 HFADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1 ZINC000792953981 1078034498 /nfs/dbraw/zinc/03/44/98/1078034498.db2.gz ACRRVPNWOSEQBB-VGSWGCGISA-N 1 1 413.522 2.928 20 0 HFADMO COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000790450815 1078035377 /nfs/dbraw/zinc/03/53/77/1078035377.db2.gz QBPLHBFJYVYMSX-AWEZNQCLSA-N 1 1 423.348 2.996 20 0 HFADMO Cc1ccc(NC(=O)C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)nc1Br ZINC000792968696 1078038350 /nfs/dbraw/zinc/03/83/50/1078038350.db2.gz KVMRMMMMWNCZMI-UHFFFAOYSA-N 1 1 411.344 2.670 20 0 HFADMO CCN1CCN(C[C@@H](C)C[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000790471494 1078039125 /nfs/dbraw/zinc/03/91/25/1078039125.db2.gz QWGCFOHYFPZRJY-FQEVSTJZSA-N 1 1 402.583 2.651 20 0 HFADMO O=C(OCc1ccccc1)N1CCC([NH2+]C2CCN(C[C@@H]3CCOC3)CC2)CC1 ZINC000790472461 1078039277 /nfs/dbraw/zinc/03/92/77/1078039277.db2.gz HDTLNEWANMPSRD-FQEVSTJZSA-N 1 1 401.551 2.878 20 0 HFADMO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@H+](CCOC)[C@@H]2CC[C@H](C)C2)C1=O ZINC000790480829 1078040925 /nfs/dbraw/zinc/04/09/25/1078040925.db2.gz WAVWACPUMGNWLJ-AQOAWAETSA-N 1 1 403.523 2.947 20 0 HFADMO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@@H+](CCOC)[C@@H]2CC[C@H](C)C2)C1=O ZINC000790480829 1078040930 /nfs/dbraw/zinc/04/09/30/1078040930.db2.gz WAVWACPUMGNWLJ-AQOAWAETSA-N 1 1 403.523 2.947 20 0 HFADMO COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000790480534 1078041212 /nfs/dbraw/zinc/04/12/12/1078041212.db2.gz IKTJMTSVBYMNIK-ZDUSSCGKSA-N 1 1 404.319 2.978 20 0 HFADMO Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)nc1Br ZINC000792989512 1078042015 /nfs/dbraw/zinc/04/20/15/1078042015.db2.gz NABLAOPIBIGHBJ-UHFFFAOYSA-N 1 1 409.328 2.568 20 0 HFADMO CCCOC(=O)c1ccc(S(=O)(=O)N[C@H](C[NH+](C)C)c2ccc(OC)cc2)cc1 ZINC000790485186 1078042029 /nfs/dbraw/zinc/04/20/29/1078042029.db2.gz VPGFOHACHVZXJW-HXUWFJFHSA-N 1 1 420.531 2.843 20 0 HFADMO COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC000790484367 1078042282 /nfs/dbraw/zinc/04/22/82/1078042282.db2.gz SJLXKPBEAMMZOO-AWEZNQCLSA-N 1 1 404.319 2.978 20 0 HFADMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)c(Br)n1 ZINC000792989831 1078042519 /nfs/dbraw/zinc/04/25/19/1078042519.db2.gz ZEHYJSSQXJIJSR-AWEZNQCLSA-N 1 1 411.344 2.862 20 0 HFADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000806254934 1079523215 /nfs/dbraw/zinc/52/32/15/1079523215.db2.gz XLMRPRIHAZBRGW-HKBOAZHASA-N 1 1 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WLWBETZGPHQKEZ-UHFFFAOYSA-N 1 1 408.493 2.803 20 0 HFADMO COC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1C ZINC000807543477 1080758374 /nfs/dbraw/zinc/75/83/74/1080758374.db2.gz OVZCLCBKNXWZRS-OXQOHEQNSA-N 1 1 424.501 2.891 20 0 HFADMO CO[C@@H]1Cc2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C)cc2C1 ZINC000807543632 1080760269 /nfs/dbraw/zinc/76/02/69/1080760269.db2.gz JWYCSGXZPOGWTB-HVETUWLQSA-N 1 1 407.514 2.518 20 0 HFADMO COC(=O)N(C)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000807543549 1080761097 /nfs/dbraw/zinc/76/10/97/1080761097.db2.gz IQESSYBYVMTGMS-OXJNMPFZSA-N 1 1 424.501 2.607 20 0 HFADMO Cc1nc2c(s1)[C@H](NC(=O)C(=O)N[C@H]1C[N@H+](Cc3ccccc3)C[C@@H]1C)CCC2 ZINC000807546917 1080763592 /nfs/dbraw/zinc/76/35/92/1080763592.db2.gz SLGUXJLSOXQPIP-KYNGSXCRSA-N 1 1 412.559 2.582 20 0 HFADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCc1c(C)cccc1F ZINC000807522184 1080774242 /nfs/dbraw/zinc/77/42/42/1080774242.db2.gz SSCHZXLHOFENTD-LJQANCHMSA-N 1 1 412.509 2.658 20 0 HFADMO COC(=O)N1CCC(CNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000807524947 1080777707 /nfs/dbraw/zinc/77/77/07/1080777707.db2.gz QJAFNRLKBDURQQ-FQEVSTJZSA-N 1 1 402.539 2.771 20 0 HFADMO COC(=O)N1CCC(CNC(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)CC1 ZINC000807526302 1080778083 /nfs/dbraw/zinc/77/80/83/1080778083.db2.gz BDBMVQBXGHYAKA-GOSISDBHSA-N 1 1 402.539 2.771 20 0 HFADMO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)no1 ZINC000807583082 1080794920 /nfs/dbraw/zinc/79/49/20/1080794920.db2.gz ZBCRLWZSANABRJ-HHXXYDBFSA-N 1 1 416.547 2.907 20 0 HFADMO CC[C@H]1CN(C(=O)C(=O)NCc2cc(C)cc(Cl)n2)CC[N@@H+]1Cc1ccccc1 ZINC000807556909 1080807762 /nfs/dbraw/zinc/80/77/62/1080807762.db2.gz VISAGITYYFXTST-IBGZPJMESA-N 1 1 414.937 2.783 20 0 HFADMO CC[C@H]1CN(C(=O)C(=O)NCc2cc(C)cc(Cl)n2)CC[N@H+]1Cc1ccccc1 ZINC000807556909 1080807766 /nfs/dbraw/zinc/80/77/66/1080807766.db2.gz VISAGITYYFXTST-IBGZPJMESA-N 1 1 414.937 2.783 20 0 HFADMO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nnc(-c3ccccc3OC)o2)cc1OC ZINC001460859520 1126192636 /nfs/dbraw/zinc/19/26/36/1126192636.db2.gz FCTSUYLYLZJKEC-JOCHJYFZSA-N 1 1 413.474 2.846 20 0 HFADMO COc1ccc(C[C@](C)(CO)[NH2+]Cc2csc(N(C(C)=O)C3CC3)n2)cc1OC ZINC001460872275 1126193456 /nfs/dbraw/zinc/19/34/56/1126193456.db2.gz VMNDYQZIUNTPPC-OAQYLSRUSA-N 1 1 419.547 2.759 20 0 HFADMO COCCN1CC[N@H+](C)C2(CCN(c3cc(Cl)nc4sccc43)CC2)C1=O ZINC001164636564 719272795 /nfs/dbraw/zinc/27/27/95/719272795.db2.gz VPWAQALJMXHYHD-UHFFFAOYSA-N 1 1 408.955 2.709 20 0 HFADMO COCCN1CC[N@@H+](C)C2(CCN(c3cc(Cl)nc4sccc43)CC2)C1=O ZINC001164636564 719272798 /nfs/dbraw/zinc/27/27/98/719272798.db2.gz VPWAQALJMXHYHD-UHFFFAOYSA-N 1 1 408.955 2.709 20 0 HFADMO C[NH+]1CCC(Oc2ccnc(N3CCO[C@@H]4[C@H](OCc5ccncc5)CC[C@@H]43)c2)CC1 ZINC001164655116 719295547 /nfs/dbraw/zinc/29/55/47/719295547.db2.gz SGZWEKXWFRAMJG-ZDXQCDESSA-N 1 1 424.545 2.903 20 0 HFADMO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000301667340 719467307 /nfs/dbraw/zinc/46/73/07/719467307.db2.gz OXUHVJUVNVLSKE-ZWKOTPCHSA-N 1 1 409.559 2.939 20 0 HFADMO CN(C)Cc1ccnc(N([C@H]2CCC23CC[NH2+]CC3)S(=O)(=O)c2ccccc2)c1 ZINC001164682654 719592404 /nfs/dbraw/zinc/59/24/04/719592404.db2.gz DHNXOLGDDSHUBC-FQEVSTJZSA-N 1 1 414.575 2.871 20 0 HFADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1csc2ncnc(Cl)c12 ZINC001164699359 719849801 /nfs/dbraw/zinc/84/98/01/719849801.db2.gz HPYQTUFAFUORIZ-KPZWWZAWSA-N 1 1 410.927 2.577 20 0 HFADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)nc2scc(C)c21 ZINC001164703788 719872880 /nfs/dbraw/zinc/87/28/80/719872880.db2.gz KNOPSDGRSBGZPV-MGPUTAFESA-N 1 1 404.536 2.541 20 0 HFADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2ccc(SC)cc21 ZINC001164705729 719877264 /nfs/dbraw/zinc/87/72/64/719877264.db2.gz OHISZFPFDTYXBN-BTYIYWSLSA-N 1 1 416.547 2.584 20 0 HFADMO CC[C@H](C)c1nc2[nH]ccc2c(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164702195 719880623 /nfs/dbraw/zinc/88/06/23/719880623.db2.gz OUUPCDSFVGYMMG-WJONJSRFSA-N 1 1 415.538 2.704 20 0 HFADMO COc1nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc2c1ccn2C ZINC001164706305 719906193 /nfs/dbraw/zinc/90/61/93/719906193.db2.gz HKSZDHBHUMCITO-UHFFFAOYSA-N 1 1 413.547 2.910 20 0 HFADMO COc1nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc2c1ccn2C ZINC001164706305 719906199 /nfs/dbraw/zinc/90/61/99/719906199.db2.gz HKSZDHBHUMCITO-UHFFFAOYSA-N 1 1 413.547 2.910 20 0 HFADMO CCOC(=O)c1cc2cccnc2nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001164810001 720113378 /nfs/dbraw/zinc/11/33/78/720113378.db2.gz JCOJWWNAFHJRAW-YADARESESA-N 1 1 424.545 2.991 20 0 HFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(CC(=O)OC)n1)CC2 ZINC001164717364 720114842 /nfs/dbraw/zinc/11/48/42/720114842.db2.gz NRJPOCKONFJHKB-NRFANRHFSA-N 1 1 424.545 2.700 20 0 HFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cncc(N3CCCC3)n1)CC2 ZINC001164710426 720131306 /nfs/dbraw/zinc/13/13/06/720131306.db2.gz BIFDTXRIPHRGLG-NRFANRHFSA-N 1 1 422.577 2.979 20 0 HFADMO CSc1nc(Cl)ncc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164812029 720223945 /nfs/dbraw/zinc/22/39/45/720223945.db2.gz CPWWHNLLGALFCW-UHFFFAOYSA-N 1 1 408.959 2.659 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc4ccc(C)cc43)C2)C1 ZINC001164723741 720266692 /nfs/dbraw/zinc/26/66/92/720266692.db2.gz XUKFZQCEVBYOOK-JOCHJYFZSA-N 1 1 416.953 2.861 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc4ccc(C)cc43)C2)C1 ZINC001164723741 720266704 /nfs/dbraw/zinc/26/67/04/720266704.db2.gz XUKFZQCEVBYOOK-JOCHJYFZSA-N 1 1 416.953 2.861 20 0 HFADMO c1cc2nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc(N3CCOCC3)c2s1 ZINC001164729887 720348506 /nfs/dbraw/zinc/34/85/06/720348506.db2.gz YTUBGJSIXNZSMY-RBUKOAKNSA-N 1 1 422.558 2.776 20 0 HFADMO COC(=O)c1c(Cl)cnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1OC ZINC001164727044 720425072 /nfs/dbraw/zinc/42/50/72/720425072.db2.gz CXGAJRKAIXRWHI-CVEARBPZSA-N 1 1 402.882 2.778 20 0 HFADMO COc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1NC(C)C ZINC001164839375 720505037 /nfs/dbraw/zinc/50/50/37/720505037.db2.gz SZYXKJQZMVOUEJ-GBESFXJTSA-N 1 1 413.570 2.880 20 0 HFADMO Cc1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C(N)=O ZINC001164839402 720511281 /nfs/dbraw/zinc/51/12/81/720511281.db2.gz UAYJFAYQDWFLSK-BRWVUGGUSA-N 1 1 416.957 2.717 20 0 HFADMO CCOC(=O)c1cc(F)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164834951 720517642 /nfs/dbraw/zinc/51/76/42/720517642.db2.gz IQEVTEOWVWKUGZ-IMFGXOCKSA-N 1 1 415.513 2.972 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)c(F)cc3C(N)=O)CC[C@@H]21 ZINC001164834749 720523415 /nfs/dbraw/zinc/52/34/15/720523415.db2.gz HLIABADHFZVABA-KEYYUXOJSA-N 1 1 420.920 2.547 20 0 HFADMO CCOC(=O)c1cc(C)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164838411 720524232 /nfs/dbraw/zinc/52/42/32/720524232.db2.gz QTHQMNBEXKVNHP-CMKODMSKSA-N 1 1 412.538 2.536 20 0 HFADMO COc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(SC)n1 ZINC001164836660 720544118 /nfs/dbraw/zinc/54/41/18/720544118.db2.gz KNUPHALXGLLXGH-IXDOHACOSA-N 1 1 402.568 2.781 20 0 HFADMO COC(=O)c1cc2c[nH]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc-2n1 ZINC001164836682 720583747 /nfs/dbraw/zinc/58/37/47/720583747.db2.gz GJBABZWLXHWAKQ-DBXWQHBBSA-N 1 1 422.533 2.924 20 0 HFADMO COc1cnc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164841630 720584596 /nfs/dbraw/zinc/58/45/96/720584596.db2.gz TZTGJRQRSIKDBY-ABSDTBQOSA-N 1 1 407.522 2.608 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4c3ncn4C3CC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841507 720611491 /nfs/dbraw/zinc/61/14/91/720611491.db2.gz SLFWPBNIWCNRHZ-NZSAHSFTSA-N 1 1 406.538 2.736 20 0 HFADMO CSc1nc2sccc2c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740841 720630330 /nfs/dbraw/zinc/63/03/30/720630330.db2.gz JLBZXRNZNMAZCP-CHWSQXEVSA-N 1 1 400.533 2.545 20 0 HFADMO CCOC(=O)c1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc2ccccc21 ZINC001164737120 720691344 /nfs/dbraw/zinc/69/13/44/720691344.db2.gz DMOYOSFNLLVTNT-IRXDYDNUSA-N 1 1 419.485 2.543 20 0 HFADMO Cc1ccc(C)c(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)c1 ZINC001164741139 720773247 /nfs/dbraw/zinc/77/32/47/720773247.db2.gz MJSXQVCMJXQPGQ-MOPGFXCFSA-N 1 1 402.502 2.892 20 0 HFADMO CCc1ccc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1 ZINC001164738038 720779633 /nfs/dbraw/zinc/77/96/33/720779633.db2.gz DOLQXZACYIMAPQ-VQTJNVASSA-N 1 1 402.502 2.838 20 0 HFADMO Fc1cccc(F)c1-c1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164738239 720781796 /nfs/dbraw/zinc/78/17/96/720781796.db2.gz FGZVOCSWLKDDHZ-LSDHHAIUSA-N 1 1 410.428 2.554 20 0 HFADMO Cc1cc(-c2ccccc2F)nnc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164752662 720801391 /nfs/dbraw/zinc/80/13/91/720801391.db2.gz ZNURLOZYLNDMLB-IRXDYDNUSA-N 1 1 406.465 2.723 20 0 HFADMO Cc1cc(-c2ccccc2F)nnc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164752670 720801770 /nfs/dbraw/zinc/80/17/70/720801770.db2.gz ZNURLOZYLNDMLB-SJORKVTESA-N 1 1 406.465 2.723 20 0 HFADMO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1NCC1CC1 ZINC001164750389 720808208 /nfs/dbraw/zinc/80/82/08/720808208.db2.gz VLBVVEKUKFJZID-PCCBWWKXSA-N 1 1 422.581 2.578 20 0 HFADMO FC(F)(c1cc(Cl)ncn1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748266 720808536 /nfs/dbraw/zinc/80/85/36/720808536.db2.gz QFOGFWFBJYYLQA-ARFHVFGLSA-N 1 1 423.899 2.646 20 0 HFADMO Cc1cc2c(ncnc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)s1 ZINC001164743384 720808749 /nfs/dbraw/zinc/80/87/49/720808749.db2.gz FSWBSWOJWZWBMJ-YQVWRLOYSA-N 1 1 409.563 2.971 20 0 HFADMO Cc1nc2sccc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164743405 720808775 /nfs/dbraw/zinc/80/87/75/720808775.db2.gz FWJLULJXGUITAL-ZIFCJYIRSA-N 1 1 409.563 2.971 20 0 HFADMO Clc1nc2[nH]ccc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164742373 720809302 /nfs/dbraw/zinc/80/93/02/720809302.db2.gz CYALROXLJJMMGK-ZMSDIMECSA-N 1 1 412.929 2.582 20 0 HFADMO CSc1ncc(Cl)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164743849 720816055 /nfs/dbraw/zinc/81/60/55/720816055.db2.gz SVYMPGCXZKKVCI-BFYDXBDKSA-N 1 1 419.986 2.823 20 0 HFADMO F[C@H](Oc1ccnc(Cl)c1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743288 720820427 /nfs/dbraw/zinc/82/04/27/720820427.db2.gz RXDBXICLPVFXLK-QXOCSCLMSA-N 1 1 420.920 2.833 20 0 HFADMO COc1cc(Cl)ncc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738801 720822049 /nfs/dbraw/zinc/82/20/49/720822049.db2.gz GTXVKHIPTPGRDQ-YESZJQIVSA-N 1 1 402.930 2.715 20 0 HFADMO Cc1cccc2ncc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc12 ZINC001164738765 720824656 /nfs/dbraw/zinc/82/46/56/720824656.db2.gz GGTDXCMYRRTPDY-SVFBPWRDSA-N 1 1 403.534 2.909 20 0 HFADMO CSc1nc(Cl)ncc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745116 720828574 /nfs/dbraw/zinc/82/85/74/720828574.db2.gz WJYIZRZOWIPBED-HRCADAONSA-N 1 1 419.986 2.823 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(Cl)cc4)nn3)CC[C@H]2C1 ZINC001164854233 720838802 /nfs/dbraw/zinc/83/88/02/720838802.db2.gz QFWWWDQWCYFNSN-PXNSSMCTSA-N 1 1 402.926 2.971 20 0 HFADMO COc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1Cl ZINC001164751844 720841070 /nfs/dbraw/zinc/84/10/70/720841070.db2.gz ZDUHATVSYJFMHE-SOLBZPMBSA-N 1 1 402.930 2.715 20 0 HFADMO CC(C)n1ccc2c1ncnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742532 720843085 /nfs/dbraw/zinc/84/30/85/720843085.db2.gz HGRNZJAHJOVEEG-SFHLNBCPSA-N 1 1 420.565 2.983 20 0 HFADMO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(-c5ccccn5)nn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746115 720851963 /nfs/dbraw/zinc/85/19/63/720851963.db2.gz FSIBXMAHTSYCMV-CNNODRBYSA-N 1 1 416.533 2.510 20 0 HFADMO CCOC(=O)c1cc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)nc2ccccc21 ZINC001164854953 720853542 /nfs/dbraw/zinc/85/35/42/720853542.db2.gz LWBVMJSCCSZHCN-DYESRHJHSA-N 1 1 413.518 2.585 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3ccn4C(C)C)CC[C@@H]2C1 ZINC001164856041 720871206 /nfs/dbraw/zinc/87/12/06/720871206.db2.gz NXRHLGRVVKKTCL-WBVHZDCISA-N 1 1 407.946 2.839 20 0 HFADMO COc1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755743 720872023 /nfs/dbraw/zinc/87/20/23/720872023.db2.gz YOYZWJXIUDCECM-OFNKIYASSA-N 1 1 409.534 2.635 20 0 HFADMO COc1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164752200 720873157 /nfs/dbraw/zinc/87/31/57/720873157.db2.gz MACFQAODVGTOEK-NZQKXSOJSA-N 1 1 409.534 2.635 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4cccnc4)nc4ccccc43)CC[C@@H]2C1 ZINC001164861262 720874183 /nfs/dbraw/zinc/87/41/83/720874183.db2.gz PLCXCEILPIRTDY-DENIHFKCSA-N 1 1 419.529 2.865 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncc(C)c(-c4ccccc4F)n3)CC[C@H]2C1 ZINC001164857443 720888847 /nfs/dbraw/zinc/88/88/47/720888847.db2.gz JRYPARYJKZXBBN-FXAWDEMLSA-N 1 1 400.498 2.765 20 0 HFADMO COc1nc(C)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755385 720889953 /nfs/dbraw/zinc/88/99/53/720889953.db2.gz LSMHMVRMBXXALB-XUZZJYLKSA-N 1 1 423.561 2.944 20 0 HFADMO CON(C)C(=O)c1cc(C)cnc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164863583 720991264 /nfs/dbraw/zinc/99/12/64/720991264.db2.gz WVVLZHKACFACAV-INIZCTEOSA-N 1 1 400.527 2.641 20 0 HFADMO CCCNC(=O)c1cc(Cl)nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164861390 721024376 /nfs/dbraw/zinc/02/43/76/721024376.db2.gz OHIHNPNDWNHISW-AWEZNQCLSA-N 1 1 419.961 2.888 20 0 HFADMO Cn1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3c2nc(Cl)ccc2C[NH+]2CCCC2)cn1 ZINC001164760268 721036382 /nfs/dbraw/zinc/03/63/82/721036382.db2.gz CILAPXAMHNIOKU-ROUUACIJSA-N 1 1 414.941 2.558 20 0 HFADMO Fc1c[nH]c2nc(Cl)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164866096 721044822 /nfs/dbraw/zinc/04/48/22/721044822.db2.gz CSFLFLVQTSOXFC-ZIAGYGMSSA-N 1 1 402.861 2.625 20 0 HFADMO Cc1cc(Cl)nc(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164870896 721049553 /nfs/dbraw/zinc/04/95/53/721049553.db2.gz XEBDEMGDDNXALH-JKSUJKDBSA-N 1 1 409.868 2.858 20 0 HFADMO Clc1nc2c(c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n1)SCC2 ZINC001164870624 721074013 /nfs/dbraw/zinc/07/40/13/721074013.db2.gz WKXGQVMXGXSYNW-LSDHHAIUSA-N 1 1 403.939 2.653 20 0 HFADMO CCOC(=O)c1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)ncc1Cl ZINC001164763620 721081432 /nfs/dbraw/zinc/08/14/32/721081432.db2.gz GDYOXQHTZUAHEH-JKSUJKDBSA-N 1 1 403.914 2.604 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(NC(=O)OC(C)(C)C)ncn4)C[C@@H]3C2)cn1 ZINC001164762109 721091063 /nfs/dbraw/zinc/09/10/63/721091063.db2.gz CNDSYSFWCSRHSH-SJORKVTESA-N 1 1 413.526 2.515 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cncc(OCc5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164766549 721093612 /nfs/dbraw/zinc/09/36/12/721093612.db2.gz KTPXMAADUPRKID-SFTDATJTSA-N 1 1 404.518 2.747 20 0 HFADMO CCOC(=O)c1c(C)nc(Cl)cc1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164771391 721107044 /nfs/dbraw/zinc/10/70/44/721107044.db2.gz SNEAYXHVNJRNER-IAGOWNOFSA-N 1 1 417.941 2.912 20 0 HFADMO COC(=O)c1ccc2ccnc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2c1 ZINC001164764819 721114739 /nfs/dbraw/zinc/11/47/39/721114739.db2.gz IBXVCDASRWVIQM-UXHICEINSA-N 1 1 405.502 2.713 20 0 HFADMO Nc1cc(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cnc1Cl ZINC001164879022 721133326 /nfs/dbraw/zinc/13/33/26/721133326.db2.gz RLCSTXVSHVRIAY-CVEARBPZSA-N 1 1 409.868 2.737 20 0 HFADMO COc1cccc2nc(Cl)nc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c21 ZINC001164761658 721147195 /nfs/dbraw/zinc/14/71/95/721147195.db2.gz ACUAETIEKLXFAS-CVEARBPZSA-N 1 1 412.925 2.984 20 0 HFADMO CC1CCN(c2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)CC1 ZINC001164877650 721148197 /nfs/dbraw/zinc/14/81/97/721148197.db2.gz POKVEQCTTURBDF-NHCUHLMSSA-N 1 1 408.550 2.588 20 0 HFADMO CCOC(=O)c1cnc(Cl)c(C)c1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164762074 721148497 /nfs/dbraw/zinc/14/84/97/721148497.db2.gz BUIVBDYFNYJIQY-DLBZAZTESA-N 1 1 417.941 2.912 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(OCc5ccccc5)cnn4)C[C@@H]3C2)cn1 ZINC001164772740 721153141 /nfs/dbraw/zinc/15/31/41/721153141.db2.gz VUWZKHWESJMAPM-RTWAWAEBSA-N 1 1 404.518 2.747 20 0 HFADMO Cc1nc(-c2ccncc2)cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164876522 721160352 /nfs/dbraw/zinc/16/03/52/721160352.db2.gz MZWOOWGUOXZKBK-RTWAWAEBSA-N 1 1 402.502 2.722 20 0 HFADMO COC(=O)c1cccc2nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)ccc21 ZINC001164770814 721225364 /nfs/dbraw/zinc/22/53/64/721225364.db2.gz OOHHQIMOEYBMBA-ROUUACIJSA-N 1 1 405.502 2.713 20 0 HFADMO Cc1nc(C)c(-c2ccc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)nn2)s1 ZINC001164761884 721229545 /nfs/dbraw/zinc/22/95/45/721229545.db2.gz JSAONBFECJYINF-ROUUACIJSA-N 1 1 409.563 2.909 20 0 HFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(Cl)nc4ccsc43)CC2)C1 ZINC001164870432 721269190 /nfs/dbraw/zinc/26/91/90/721269190.db2.gz YOAJCVMOOUREMV-UHFFFAOYSA-N 1 1 422.982 2.957 20 0 HFADMO O=C(Nc1nncs1)c1cnc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)c(Cl)c1 ZINC001164769850 721300021 /nfs/dbraw/zinc/30/00/21/721300021.db2.gz PAEJNLQFSUMJNZ-UHFFFAOYSA-N 1 1 404.927 2.761 20 0 HFADMO COc1cc(C)nc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164779119 721347339 /nfs/dbraw/zinc/34/73/39/721347339.db2.gz RGTOKMIOVZJQAU-OAQYLSRUSA-N 1 1 401.511 2.517 20 0 HFADMO COc1cc(C)nc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164779119 721347340 /nfs/dbraw/zinc/34/73/40/721347340.db2.gz RGTOKMIOVZJQAU-OAQYLSRUSA-N 1 1 401.511 2.517 20 0 HFADMO C[N@@H+](Cc1ccc(N2C[C@@H]3CN(C(=O)c4ccccc4)CCO[C@H]3C2)nc1)C1CC1 ZINC001164890181 721351900 /nfs/dbraw/zinc/35/19/00/721351900.db2.gz ZZAOOJBWKMZRAG-UNMCSNQZSA-N 1 1 406.530 2.653 20 0 HFADMO C[N@@H+](Cc1ccc(N2C[C@@H]3CN(C(=O)c4ccccc4)CCO[C@@H]3C2)nc1)C1CC1 ZINC001164890179 721352001 /nfs/dbraw/zinc/35/20/01/721352001.db2.gz ZZAOOJBWKMZRAG-RBBKRZOGSA-N 1 1 406.530 2.653 20 0 HFADMO Cc1cc2ncnc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2[nH]1 ZINC001164780753 721355691 /nfs/dbraw/zinc/35/56/91/721355691.db2.gz HBNZXXTYKPYFSG-QFIPXVFZSA-N 1 1 410.522 2.990 20 0 HFADMO CCOc1cc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)ncn1 ZINC001164784286 721366289 /nfs/dbraw/zinc/36/62/89/721366289.db2.gz RFZAXWXFKBVJRJ-OAQYLSRUSA-N 1 1 401.511 2.599 20 0 HFADMO CCOc1cc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)ncn1 ZINC001164784286 721366292 /nfs/dbraw/zinc/36/62/92/721366292.db2.gz RFZAXWXFKBVJRJ-OAQYLSRUSA-N 1 1 401.511 2.599 20 0 HFADMO Cc1nc2ccsc2c(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164889276 721379873 /nfs/dbraw/zinc/37/98/73/721379873.db2.gz LLIUQXRESJKKRE-UWJYYQICSA-N 1 1 401.580 2.765 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc5[nH]c6ccccc6c54)C3)O2)CC1 ZINC001164892508 721417158 /nfs/dbraw/zinc/41/71/58/721417158.db2.gz YPECOUBUILWDML-UUOWRZLLSA-N 1 1 420.561 2.877 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5ccncc5)cn4)C3)O2)CC1 ZINC001164893666 721431885 /nfs/dbraw/zinc/43/18/85/721431885.db2.gz JWPHVIMOPXHNDS-LADGPHEKSA-N 1 1 407.562 2.909 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3c1CCC3)CC2 ZINC001164784515 721452818 /nfs/dbraw/zinc/45/28/18/721452818.db2.gz FVSKJQBAISZZDJ-LJQANCHMSA-N 1 1 400.567 2.699 20 0 HFADMO CCOc1ccnc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164788573 721456072 /nfs/dbraw/zinc/45/60/72/721456072.db2.gz UFIOQVRMRKTHHU-IBGZPJMESA-N 1 1 404.555 2.609 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(OC)cc(OC)n1)CC2 ZINC001164789395 721459596 /nfs/dbraw/zinc/45/95/96/721459596.db2.gz XQBLCCGDGNBGBS-LJQANCHMSA-N 1 1 419.566 2.833 20 0 HFADMO CC(C)C(=O)N[C@H]1COCCC12CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)CC2 ZINC001164896087 721502288 /nfs/dbraw/zinc/50/22/88/721502288.db2.gz HABSBELLRFDVFD-FQEVSTJZSA-N 1 1 400.567 2.824 20 0 HFADMO C[NH+]1CCC(Oc2ccnc(N3CCC4(C[C@H](c5ccncc5)C(=O)N4)CC3)c2)CC1 ZINC001164895596 721505151 /nfs/dbraw/zinc/50/51/51/721505151.db2.gz CZAISBMBEYYZLP-OAQYLSRUSA-N 1 1 421.545 2.592 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)cn2)[C@@H]2CCCO[C@H]12 ZINC001164798979 721532287 /nfs/dbraw/zinc/53/22/87/721532287.db2.gz AGETZZIOMRVADO-RKVPGOIHSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)cn2)[C@@H]2CCCO[C@H]12 ZINC001164798979 721532288 /nfs/dbraw/zinc/53/22/88/721532288.db2.gz AGETZZIOMRVADO-RKVPGOIHSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nccc(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164804576 721532646 /nfs/dbraw/zinc/53/26/46/721532646.db2.gz KLIOOCSOGBGAIJ-ZMSDIMECSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nccc(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164804576 721532648 /nfs/dbraw/zinc/53/26/48/721532648.db2.gz KLIOOCSOGBGAIJ-ZMSDIMECSA-N 1 1 409.868 2.938 20 0 HFADMO CC(C)c1nc(N(C)C)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164911539 721541924 /nfs/dbraw/zinc/54/19/24/721541924.db2.gz XCOTXHYAYHONDB-SJLPKXTDSA-N 1 1 400.502 2.542 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cnccc32)[C@H]2CCCO[C@@H]12 ZINC001164799865 721544405 /nfs/dbraw/zinc/54/44/05/721544405.db2.gz BKCNJVRLIUVYAV-IPMKNSEASA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cnccc32)[C@H]2CCCO[C@@H]12 ZINC001164799865 721544408 /nfs/dbraw/zinc/54/44/08/721544408.db2.gz BKCNJVRLIUVYAV-IPMKNSEASA-N 1 1 410.909 2.941 20 0 HFADMO COc1nc(Cl)nc(C)c1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164810603 721554097 /nfs/dbraw/zinc/55/40/97/721554097.db2.gz ZJGTZTZTNBXSNV-BQFCYCMXSA-N 1 1 403.914 2.710 20 0 HFADMO COc1nc(Cl)nc(C)c1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164810603 721554101 /nfs/dbraw/zinc/55/41/01/721554101.db2.gz ZJGTZTZTNBXSNV-BQFCYCMXSA-N 1 1 403.914 2.710 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(=O)NC(C)(C)C)ccn2)[C@@H]2CCCO[C@H]12 ZINC001164801390 721568783 /nfs/dbraw/zinc/56/87/83/721568783.db2.gz GLZQBQDOKPRWCL-SJBKTWHCSA-N 1 1 423.561 2.873 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc(-c3cccc(F)c3)n2)[C@@H]2CCCO[C@H]21 ZINC001164810777 721582414 /nfs/dbraw/zinc/58/24/14/721582414.db2.gz WDZWBYSKSQPMOW-NJDAHSKKSA-N 1 1 420.492 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc(-c3cccc(F)c3)n2)[C@@H]2CCCO[C@H]21 ZINC001164810777 721582416 /nfs/dbraw/zinc/58/24/16/721582416.db2.gz WDZWBYSKSQPMOW-NJDAHSKKSA-N 1 1 420.492 2.941 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccn3)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164809495 721583792 /nfs/dbraw/zinc/58/37/92/721583792.db2.gz SRWVMBZUPWNCCH-MQSCRBSSSA-N 1 1 402.502 2.802 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccn3)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164809495 721583793 /nfs/dbraw/zinc/58/37/93/721583793.db2.gz SRWVMBZUPWNCCH-MQSCRBSSSA-N 1 1 402.502 2.802 20 0 HFADMO NC(=O)c1cc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907107 721585264 /nfs/dbraw/zinc/58/52/64/721585264.db2.gz RZSMJGWMARVRDT-IBGZPJMESA-N 1 1 421.879 2.967 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN([C@H](F)Oc2cncc(Cl)n2)[C@@H]2CCCO[C@@H]12 ZINC001164803412 721587801 /nfs/dbraw/zinc/58/78/01/721587801.db2.gz HZGUEJQVVUDRQT-RGCFKVTRSA-N 1 1 407.877 2.521 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN([C@H](F)Oc2cncc(Cl)n2)[C@@H]2CCCO[C@@H]12 ZINC001164803412 721587802 /nfs/dbraw/zinc/58/78/02/721587802.db2.gz HZGUEJQVVUDRQT-RGCFKVTRSA-N 1 1 407.877 2.521 20 0 HFADMO CN(Cc1cccnc1)[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)[C@H]2CCCO[C@@H]12 ZINC001164811241 721589673 /nfs/dbraw/zinc/58/96/73/721589673.db2.gz WXJPDZHIWDMDBO-YTFSRNRJSA-N 1 1 407.562 2.941 20 0 HFADMO COc1ccc(C(F)(F)N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c(Cl)n1 ZINC001165011571 721736544 /nfs/dbraw/zinc/73/65/44/721736544.db2.gz RERPWCODGYLOEJ-UHFFFAOYSA-N 1 1 416.900 2.812 20 0 HFADMO CON(C)C(=O)c1cccnc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025317 721819548 /nfs/dbraw/zinc/81/95/48/721819548.db2.gz MHZIMMXQYSBJRN-IOMROCGXSA-N 1 1 409.534 2.847 20 0 HFADMO CON(C)C(=O)c1cccnc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025319 721819551 /nfs/dbraw/zinc/81/95/51/721819551.db2.gz MHZIMMXQYSBJRN-WMQCIHAUSA-N 1 1 409.534 2.847 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(S(C)(=O)=O)cn3)C[C@@H]21 ZINC001165022353 721821226 /nfs/dbraw/zinc/82/12/26/721821226.db2.gz GXZLRHQFCHOMEP-FFZOFVMBSA-N 1 1 400.548 2.617 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(S(C)(=O)=O)cn3)C[C@H]21 ZINC001165022358 721821369 /nfs/dbraw/zinc/82/13/69/721821369.db2.gz GXZLRHQFCHOMEP-PWIZWCRZSA-N 1 1 400.548 2.617 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3NC(=O)CS4)C[C@H]21 ZINC001165023132 721831382 /nfs/dbraw/zinc/83/13/82/721831382.db2.gz HUEYGHXEVXYRLV-DJIMGWMZSA-N 1 1 410.547 2.653 20 0 HFADMO O=C(NCc1ccccc1)c1cc(Cl)nc(N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC001165038644 721903943 /nfs/dbraw/zinc/90/39/43/721903943.db2.gz MYMQBBZZBKJIPU-LJQANCHMSA-N 1 1 414.937 2.966 20 0 HFADMO COc1cc(N2CCC3(CC2)COCCN3Cc2ccn(C)n2)[nH+]c2ccccc21 ZINC001164936860 721907024 /nfs/dbraw/zinc/90/70/24/721907024.db2.gz ZZMGSMFVKMQECH-UHFFFAOYSA-N 1 1 407.518 2.848 20 0 HFADMO CON(C)C(=O)c1cccnc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164940111 721929097 /nfs/dbraw/zinc/92/90/97/721929097.db2.gz QFLZVLUUYUBFFF-UHFFFAOYSA-N 1 1 424.545 2.895 20 0 HFADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(C(N)=O)nc(C5CC5)n4)CC3)C2)cc1 ZINC001164941406 721933709 /nfs/dbraw/zinc/93/37/09/721933709.db2.gz HNIPFOZZUJVCTP-UHFFFAOYSA-N 1 1 421.545 2.633 20 0 HFADMO CON(C)C(=O)c1cc(Cl)nc(N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC001165045486 721956770 /nfs/dbraw/zinc/95/67/70/721956770.db2.gz WERDDKNQGVTADQ-UHFFFAOYSA-N 1 1 404.898 2.569 20 0 HFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@H]3CN(S(C)(=O)=O)C[C@H]32)nc1 ZINC001164951999 721985745 /nfs/dbraw/zinc/98/57/45/721985745.db2.gz NYHOZFSWMNTYQA-XUVXKRRUSA-N 1 1 406.596 2.879 20 0 HFADMO Cc1nc2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc2n1C ZINC001164964084 722056254 /nfs/dbraw/zinc/05/62/54/722056254.db2.gz RHPCTYGNERFWNA-UHFFFAOYSA-N 1 1 406.534 2.791 20 0 HFADMO Cc1cnc2c(ccnc2N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164960019 722060835 /nfs/dbraw/zinc/06/08/35/722060835.db2.gz CWOXZKQXDNWCTM-UHFFFAOYSA-N 1 1 404.518 2.847 20 0 HFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@H]4[C@H]3CCN4C(=O)c3cscn3)c2)CC1 ZINC001164966321 722065651 /nfs/dbraw/zinc/06/56/51/722065651.db2.gz QVAGEIWKLWZGCR-MOPGFXCFSA-N 1 1 413.547 2.505 20 0 HFADMO c1cc2c(cc1-c1ccc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nn1)OCCCO2 ZINC001164966560 722076594 /nfs/dbraw/zinc/07/65/94/722076594.db2.gz BEZFUASQRVHFCA-KDURUIRLSA-N 1 1 408.502 2.604 20 0 HFADMO CC(=O)N1CCC[C@]2(C1)CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CCO2 ZINC001164968519 722083430 /nfs/dbraw/zinc/08/34/30/722083430.db2.gz DDOFCBXIFPPKDZ-VWLOTQADSA-N 1 1 420.557 2.858 20 0 HFADMO CCOC(=O)/C=C/c1cccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980802 722101952 /nfs/dbraw/zinc/10/19/52/722101952.db2.gz KKUOAIRNOXGEPC-BWQMBOKRSA-N 1 1 422.529 2.780 20 0 HFADMO COC(=O)c1cc(Cl)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164985883 722102763 /nfs/dbraw/zinc/10/27/63/722102763.db2.gz XLAHKDARRWYHCX-AEFFLSMTSA-N 1 1 416.909 2.644 20 0 HFADMO Clc1nnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c2cnccc12 ZINC001164984366 722104355 /nfs/dbraw/zinc/10/43/55/722104355.db2.gz SUPKHEPUYFXPMQ-VQIMIIECSA-N 1 1 410.909 2.801 20 0 HFADMO Clc1nc2cccnc2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982298 722106498 /nfs/dbraw/zinc/10/64/98/722106498.db2.gz NDXDCTYXARBFRJ-FUHWJXTLSA-N 1 1 410.909 2.801 20 0 HFADMO COc1ccc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164986414 722106574 /nfs/dbraw/zinc/10/65/74/722106574.db2.gz YZQQRRCAQZHYEV-AVRDEDQJSA-N 1 1 405.502 2.761 20 0 HFADMO Clc1nc2c(c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CSC2 ZINC001164982737 722108892 /nfs/dbraw/zinc/10/88/92/722108892.db2.gz XUTALWWDVLBPBJ-YJBOKZPZSA-N 1 1 417.966 2.999 20 0 HFADMO Cn1ccc2c1nc(Cl)nc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983179 722109649 /nfs/dbraw/zinc/10/96/49/722109649.db2.gz YKNXANYCPDLHQO-SJLPKXTDSA-N 1 1 412.925 2.744 20 0 HFADMO Cn1ccc2c1nc(Cl)nc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983176 722109743 /nfs/dbraw/zinc/10/97/43/722109743.db2.gz YKNXANYCPDLHQO-FUHWJXTLSA-N 1 1 412.925 2.744 20 0 HFADMO Cn1ccc2c1nc(Cl)nc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983181 722109779 /nfs/dbraw/zinc/10/97/79/722109779.db2.gz YKNXANYCPDLHQO-WMZOPIPTSA-N 1 1 412.925 2.744 20 0 HFADMO COc1ccc2c(c1)ncnc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975620 722118561 /nfs/dbraw/zinc/11/85/61/722118561.db2.gz KBOINCRWEJDADR-AVRDEDQJSA-N 1 1 405.502 2.761 20 0 HFADMO Clc1nc2ncsc2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983649 722120082 /nfs/dbraw/zinc/12/00/82/722120082.db2.gz YVJMQWOGZVFAHH-GJZGRUSLSA-N 1 1 416.938 2.862 20 0 HFADMO Clc1cnc2c(c1)ncnc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981984 722125480 /nfs/dbraw/zinc/12/54/80/722125480.db2.gz VLIBYTVZXMBPNS-APWZRJJASA-N 1 1 410.909 2.801 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4ccnc(-c5cccnc5)n4)CC[C@@H]3C2)c1 ZINC001164978153 722125668 /nfs/dbraw/zinc/12/56/68/722125668.db2.gz NPNZLRSQECQLDM-RTWAWAEBSA-N 1 1 402.502 2.661 20 0 HFADMO O=C(c1ccc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1)N1CCOCC1 ZINC001164995458 722192863 /nfs/dbraw/zinc/19/28/63/722192863.db2.gz UZWSSKXKZLHGQL-DEOSSOPVSA-N 1 1 424.520 2.938 20 0 HFADMO CCNS(=O)(=O)c1cccnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995683 722203523 /nfs/dbraw/zinc/20/35/23/722203523.db2.gz PHSUWYIOSDJWHI-NRFANRHFSA-N 1 1 418.538 2.764 20 0 HFADMO CCNS(=O)(=O)c1cccnc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995683 722203524 /nfs/dbraw/zinc/20/35/24/722203524.db2.gz PHSUWYIOSDJWHI-NRFANRHFSA-N 1 1 418.538 2.764 20 0 HFADMO Fc1cccc(CN2CC[C@@]23CCCN(c2ccc(OC4CC[NH2+]CC4)nn2)C3)c1 ZINC001164995927 722208558 /nfs/dbraw/zinc/20/85/58/722208558.db2.gz PYZNSYZUECXTHI-HSZRJFAPSA-N 1 1 411.525 2.991 20 0 HFADMO Cc1ccc(Cl)nc1C(F)(F)N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164996384 722235149 /nfs/dbraw/zinc/23/51/49/722235149.db2.gz FHTXXQNLJGSJPR-UHFFFAOYSA-N 1 1 422.911 2.735 20 0 HFADMO Cn1cccc1C(=O)N1CCO[C@H]2C[N@@H+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]2C1 ZINC001165004450 722244834 /nfs/dbraw/zinc/24/48/34/722244834.db2.gz OXHZXQDGUHDAKD-YJBOKZPZSA-N 1 1 402.926 2.782 20 0 HFADMO Cn1cccc1C(=O)N1CCO[C@H]2C[N@H+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]2C1 ZINC001165004450 722244839 /nfs/dbraw/zinc/24/48/39/722244839.db2.gz OXHZXQDGUHDAKD-YJBOKZPZSA-N 1 1 402.926 2.782 20 0 HFADMO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)nc1Br ZINC000793008752 1078047144 /nfs/dbraw/zinc/04/71/44/1078047144.db2.gz IFSGYFLZEUZWCZ-AWEZNQCLSA-N 1 1 411.344 2.575 20 0 HFADMO O=S(=O)(CC[NH2+]Cc1cnn(Cc2ccccc2)c1Cl)NCc1ccccc1 ZINC000790529168 1078051270 /nfs/dbraw/zinc/05/12/70/1078051270.db2.gz JQHIFWNHAXWHPR-UHFFFAOYSA-N 1 1 418.950 2.794 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000790537274 1078053304 /nfs/dbraw/zinc/05/33/04/1078053304.db2.gz CKHIPTAFUUSJDI-LJQANCHMSA-N 1 1 400.523 2.831 20 0 HFADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1cccc(Cl)n1 ZINC000793042658 1078054300 /nfs/dbraw/zinc/05/43/00/1078054300.db2.gz PWVHDAHFJLEWDK-INIZCTEOSA-N 1 1 401.898 2.582 20 0 HFADMO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)C[C@H]4CCCOC4)CC3)n2)cc1 ZINC000793042289 1078054355 /nfs/dbraw/zinc/05/43/55/1078054355.db2.gz IASCIJSNTWWETR-LJQANCHMSA-N 1 1 412.534 2.939 20 0 HFADMO COC(=O)c1nn(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)c1Br ZINC000772825840 1078054576 /nfs/dbraw/zinc/05/45/76/1078054576.db2.gz DFTKSRXSTGRIPE-HIFRSBDPSA-N 1 1 411.344 2.647 20 0 HFADMO C[C@H](NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)C1=CC[N@@H+](C)CC1 ZINC000793045170 1078055150 /nfs/dbraw/zinc/05/51/50/1078055150.db2.gz WPRSHEKTUULJQA-AZUAARDMSA-N 1 1 414.550 2.985 20 0 HFADMO Cc1nn(C)c(C)c1[C@@H](C)C(=O)OCC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000746933370 1078071574 /nfs/dbraw/zinc/07/15/74/1078071574.db2.gz CSLGFNGNGYKUFK-SJLPKXTDSA-N 1 1 412.534 2.589 20 0 HFADMO COc1cc(Cl)ccc1NC(=O)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000793108536 1078080845 /nfs/dbraw/zinc/08/08/45/1078080845.db2.gz MPVFMDXVBRKMQW-QGZVFWFLSA-N 1 1 401.894 2.672 20 0 HFADMO COc1cc(Cl)ccc1NC(=O)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000793108536 1078080850 /nfs/dbraw/zinc/08/08/50/1078080850.db2.gz MPVFMDXVBRKMQW-QGZVFWFLSA-N 1 1 401.894 2.672 20 0 HFADMO CC[C@H](C)CC[C@@H](O)CC(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000793238079 1078108101 /nfs/dbraw/zinc/10/81/01/1078108101.db2.gz NBHCWKYRAIIXKI-FUHWJXTLSA-N 1 1 405.539 2.599 20 0 HFADMO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+][C@H](C)c1nnnn1C1CC1 ZINC000790757288 1078111695 /nfs/dbraw/zinc/11/16/95/1078111695.db2.gz VJNGQKRFABULIT-CMPLNLGQSA-N 1 1 420.539 2.931 20 0 HFADMO C[C@H](COC(=O)c1ccc2cncn2c1)O[C@H](C)COC(=O)c1ccc2c[nH+]cn2c1 ZINC000793280936 1078126632 /nfs/dbraw/zinc/12/66/32/1078126632.db2.gz YQAAIQWWOQJHRE-HZPDHXFCSA-N 1 1 422.441 2.789 20 0 HFADMO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3COCCN3C3CCCC3)cc2Cl)CC1 ZINC000793316275 1078135235 /nfs/dbraw/zinc/13/52/35/1078135235.db2.gz JHDSKUASSKETFC-FQEVSTJZSA-N 1 1 406.958 2.674 20 0 HFADMO COC(=O)[C@]12C[N@@H+](Cc3c(C)nn(Cc4ccccc4)c3Cl)C[C@H]1COCC2 ZINC000793344277 1078131572 /nfs/dbraw/zinc/13/15/72/1078131572.db2.gz LHMCJBCVZFEWKU-LAUBAEHRSA-N 1 1 403.910 2.905 20 0 HFADMO CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000793321452 1078136785 /nfs/dbraw/zinc/13/67/85/1078136785.db2.gz IDONZPQEPSHZKA-HXUWFJFHSA-N 1 1 424.636 2.750 20 0 HFADMO COc1ccc([C@@H]2C[C@H]2NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000793379152 1078154106 /nfs/dbraw/zinc/15/41/06/1078154106.db2.gz FENFOPPLQDXCHF-XXTHSBEZSA-N 1 1 409.530 2.733 20 0 HFADMO COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3CC(c4cccnc4)=NO3)CC[N@H+]2C2CC2)c1 ZINC000790857423 1078152466 /nfs/dbraw/zinc/15/24/66/1078152466.db2.gz OSKKGONOTHPVJV-KSEOMHKRSA-N 1 1 406.486 2.677 20 0 HFADMO O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@H]1CC(c2cccnc2)=NO1 ZINC000790884020 1078170275 /nfs/dbraw/zinc/17/02/75/1078170275.db2.gz QJDNVUARFYAXNN-YYTDSSBASA-N 1 1 404.514 2.992 20 0 HFADMO COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000790896542 1078175476 /nfs/dbraw/zinc/17/54/76/1078175476.db2.gz QJTXRCNLIPPJCM-OALUTQOASA-N 1 1 402.539 2.928 20 0 HFADMO C[N@@H+]1CCN(C(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1 ZINC000793506837 1078193584 /nfs/dbraw/zinc/19/35/84/1078193584.db2.gz VTAOXHREBPMJFR-IAGOWNOFSA-N 1 1 411.493 2.920 20 0 HFADMO C[N@H+]1CCN(C(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1 ZINC000793506837 1078193586 /nfs/dbraw/zinc/19/35/86/1078193586.db2.gz VTAOXHREBPMJFR-IAGOWNOFSA-N 1 1 411.493 2.920 20 0 HFADMO CCOC(=O)[C@@]1(COC)CCC[N@H+](CN2CC[C@H](CCc3ccccc3)C2=O)C1 ZINC000793515499 1078197086 /nfs/dbraw/zinc/19/70/86/1078197086.db2.gz KAYSFHTZOZSIQR-REWPJTCUSA-N 1 1 402.535 2.717 20 0 HFADMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](CN2CC[C@H](CCc3ccccc3)C2=O)C1 ZINC000793515499 1078197087 /nfs/dbraw/zinc/19/70/87/1078197087.db2.gz KAYSFHTZOZSIQR-REWPJTCUSA-N 1 1 402.535 2.717 20 0 HFADMO COC(=O)CC[C@]1(C)NC(=O)N(C[NH+]2CCC(Cc3ccc(C)c(C)c3)CC2)C1=O ZINC000793520146 1078197886 /nfs/dbraw/zinc/19/78/86/1078197886.db2.gz KWVUCUBJHQSXBD-QHCPKHFHSA-N 1 1 415.534 2.779 20 0 HFADMO Cc1nc(NC(=O)[C@H](C)[N@@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)sc1C ZINC001170434011 1078201207 /nfs/dbraw/zinc/20/12/07/1078201207.db2.gz DBJWGWXNFLWBRR-WMLDXEAASA-N 1 1 403.552 2.717 20 0 HFADMO Cc1nc(NC(=O)[C@H](C)[N@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)sc1C ZINC001170434011 1078201208 /nfs/dbraw/zinc/20/12/08/1078201208.db2.gz DBJWGWXNFLWBRR-WMLDXEAASA-N 1 1 403.552 2.717 20 0 HFADMO C[N@@H+](CCOCCNC(=O)OC(C)(C)C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001170434078 1078201981 /nfs/dbraw/zinc/20/19/81/1078201981.db2.gz FJLKBNJQJZLCOU-UHFFFAOYSA-N 1 1 401.548 2.907 20 0 HFADMO CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000793503804 1078204730 /nfs/dbraw/zinc/20/47/30/1078204730.db2.gz GOEBVARHMKVTBX-LADGPHEKSA-N 1 1 405.542 2.908 20 0 HFADMO CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000793503804 1078204732 /nfs/dbraw/zinc/20/47/32/1078204732.db2.gz GOEBVARHMKVTBX-LADGPHEKSA-N 1 1 405.542 2.908 20 0 HFADMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000793584535 1078215172 /nfs/dbraw/zinc/21/51/72/1078215172.db2.gz OFQCQOGLBMMHOB-SJLPKXTDSA-N 1 1 404.942 2.948 20 0 HFADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)C1 ZINC000793585111 1078215194 /nfs/dbraw/zinc/21/51/94/1078215194.db2.gz LTCNBSHRPDEAPG-IOMROCGXSA-N 1 1 424.545 2.769 20 0 HFADMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000793584534 1078215301 /nfs/dbraw/zinc/21/53/01/1078215301.db2.gz OFQCQOGLBMMHOB-FUHWJXTLSA-N 1 1 404.942 2.948 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CN2C(=O)[C@H](C)N(c3ccccc3)C2=O)C1 ZINC000793594579 1078218729 /nfs/dbraw/zinc/21/87/29/1078218729.db2.gz FOMBCEKADSJCIW-GAJHUEQPSA-N 1 1 407.470 2.618 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CN2C(=O)[C@H](C)N(c3ccccc3)C2=O)C1 ZINC000793594579 1078218731 /nfs/dbraw/zinc/21/87/31/1078218731.db2.gz FOMBCEKADSJCIW-GAJHUEQPSA-N 1 1 407.470 2.618 20 0 HFADMO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2cccc(I)c2)CC1 ZINC000793596319 1078218782 /nfs/dbraw/zinc/21/87/82/1078218782.db2.gz YYFIJPBNDWJCHS-INIZCTEOSA-N 1 1 411.287 2.970 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CN2C(=O)N[C@](C)(c3ccccc3C)C2=O)C1 ZINC000793598138 1078219592 /nfs/dbraw/zinc/21/95/92/1078219592.db2.gz MMWUXSDEEADUGT-DNQXCXABSA-N 1 1 421.497 2.536 20 0 HFADMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CN2C(=O)N[C@](C)(c3ccccc3C)C2=O)C1 ZINC000793598138 1078219597 /nfs/dbraw/zinc/21/95/97/1078219597.db2.gz MMWUXSDEEADUGT-DNQXCXABSA-N 1 1 421.497 2.536 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000793601420 1078220953 /nfs/dbraw/zinc/22/09/53/1078220953.db2.gz IVHYQOHRNKIIHA-UHFFFAOYSA-N 1 1 418.542 2.846 20 0 HFADMO CC[C@@H](C)CC[C@H](O)CC(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000793618054 1078229177 /nfs/dbraw/zinc/22/91/77/1078229177.db2.gz JEKZUWULUIQOSH-NQIIRXRSSA-N 1 1 403.567 2.909 20 0 HFADMO Cc1cc(N2CCC(NC(=O)[C@@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)nc(C)[nH+]1 ZINC000793620781 1078229812 /nfs/dbraw/zinc/22/98/12/1078229812.db2.gz AMSSDJMMISCPMP-SFHVURJKSA-N 1 1 417.554 2.824 20 0 HFADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCc1ccc([C@@H](C)O)cc1 ZINC000793635948 1078236226 /nfs/dbraw/zinc/23/62/26/1078236226.db2.gz JDFCQCIIYDOGIB-KNQAVFIVSA-N 1 1 423.557 2.727 20 0 HFADMO C[C@H](O)c1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000793641260 1078238457 /nfs/dbraw/zinc/23/84/57/1078238457.db2.gz WKZBSYLKTIUFCI-SELNLUPBSA-N 1 1 423.557 2.868 20 0 HFADMO C[C@@H](CCNC(=O)C(=O)NCc1ccn(-c2ccccc2)n1)[N@@H+](C)Cc1ccccc1 ZINC000793662450 1078243438 /nfs/dbraw/zinc/24/34/38/1078243438.db2.gz GULSKVHOBLBUNF-IBGZPJMESA-N 1 1 419.529 2.515 20 0 HFADMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3csc(CCNC(=O)OC(C)(C)C)n3)CC[C@H]21 ZINC000793676954 1078250820 /nfs/dbraw/zinc/25/08/20/1078250820.db2.gz FYRZTIRWBZIDRQ-GDBMZVCRSA-N 1 1 408.568 2.767 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H](C(=O)N2CCCCO2)C[C@H]2OCC[C@H]21 ZINC001170436551 1078267905 /nfs/dbraw/zinc/26/79/05/1078267905.db2.gz IYAXIDVDPUCTSQ-CTAFRAEOSA-N 1 1 416.518 2.770 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H](C)[C@H](O)c1c(F)cccc1Cl ZINC000793694337 1078270275 /nfs/dbraw/zinc/27/02/75/1078270275.db2.gz YITCOBGQMASPKF-GTNSWQLSSA-N 1 1 405.861 2.867 20 0 HFADMO CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CC1 ZINC000793695155 1078270960 /nfs/dbraw/zinc/27/09/60/1078270960.db2.gz YMHQZCYSULPQNS-LJQANCHMSA-N 1 1 417.550 2.903 20 0 HFADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H](C)COc1ccccc1 ZINC000793700877 1078274231 /nfs/dbraw/zinc/27/42/31/1078274231.db2.gz MNQSNRKLPXKBMY-UNMCSNQZSA-N 1 1 423.557 2.941 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C[C@H](c4ccccn4)CC3=O)CC[C@@H]21 ZINC000793706108 1078276778 /nfs/dbraw/zinc/27/67/78/1078276778.db2.gz MQYJCJXHDHYKHL-LMMKCTJWSA-N 1 1 400.523 2.686 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C[C@H](c4ccccn4)CC3=O)CC[C@@H]21 ZINC000793706108 1078276779 /nfs/dbraw/zinc/27/67/79/1078276779.db2.gz MQYJCJXHDHYKHL-LMMKCTJWSA-N 1 1 400.523 2.686 20 0 HFADMO COCC1(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793735234 1078284821 /nfs/dbraw/zinc/28/48/21/1078284821.db2.gz FWOLJMFKWXIRFX-IBGZPJMESA-N 1 1 417.550 2.953 20 0 HFADMO COCC1(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793735234 1078284828 /nfs/dbraw/zinc/28/48/28/1078284828.db2.gz FWOLJMFKWXIRFX-IBGZPJMESA-N 1 1 417.550 2.953 20 0 HFADMO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)C1=O ZINC000793739890 1078286749 /nfs/dbraw/zinc/28/67/49/1078286749.db2.gz AKAGZFJAPUKPCS-HTAPYJJXSA-N 1 1 401.507 2.558 20 0 HFADMO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@H+]2CCOC[C@@H](C3CCC3)C2)C1=O ZINC000793739890 1078286753 /nfs/dbraw/zinc/28/67/53/1078286753.db2.gz AKAGZFJAPUKPCS-HTAPYJJXSA-N 1 1 401.507 2.558 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000793804470 1078303848 /nfs/dbraw/zinc/30/38/48/1078303848.db2.gz IGWJFETYFQEGEY-YWZLYKJASA-N 1 1 421.476 2.941 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC[C@H]1c1cccc(C)c1 ZINC000793804126 1078304018 /nfs/dbraw/zinc/30/40/18/1078304018.db2.gz CNZWQDATLDVCBM-FQEVSTJZSA-N 1 1 403.486 2.864 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000793803871 1078304133 /nfs/dbraw/zinc/30/41/33/1078304133.db2.gz BGHQFFACXIKWLN-FOIQADDNSA-N 1 1 421.476 2.941 20 0 HFADMO CSC[C@H]1CCC[N@H+](CN2C(=O)N[C@](C)(CCc3ccc4c(c3)OCO4)C2=O)C1 ZINC000793796816 1078300702 /nfs/dbraw/zinc/30/07/02/1078300702.db2.gz MZSMQAXQNIOMFN-HRAATJIYSA-N 1 1 419.547 2.691 20 0 HFADMO CSC[C@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(CCc3ccc4c(c3)OCO4)C2=O)C1 ZINC000793796816 1078300706 /nfs/dbraw/zinc/30/07/06/1078300706.db2.gz MZSMQAXQNIOMFN-HRAATJIYSA-N 1 1 419.547 2.691 20 0 HFADMO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000793777705 1078309332 /nfs/dbraw/zinc/30/93/32/1078309332.db2.gz FOWTWZVIRWLSDI-HXUWFJFHSA-N 1 1 409.530 2.613 20 0 HFADMO COCCOc1ccc(-n2nc(C)c(C(=O)N3CCC(n4c[nH+]cc4C)CC3)n2)cc1 ZINC000793847850 1078314344 /nfs/dbraw/zinc/31/43/44/1078314344.db2.gz JCQGQCSGMRBZHV-UHFFFAOYSA-N 1 1 424.505 2.583 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000793811544 1078314420 /nfs/dbraw/zinc/31/44/20/1078314420.db2.gz XPFGURHBZBKTNN-VBKZILBWSA-N 1 1 421.476 2.771 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000793811603 1078314986 /nfs/dbraw/zinc/31/49/86/1078314986.db2.gz YGWWJDTVDNMBDI-PZJWPPBQSA-N 1 1 417.513 2.720 20 0 HFADMO C[C@H](CNC(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1)[N@@H+](C)C1CC1 ZINC000793870628 1078328835 /nfs/dbraw/zinc/32/88/35/1078328835.db2.gz BLQDOIDDERUSOL-QGZVFWFLSA-N 1 1 414.594 2.668 20 0 HFADMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000793832378 1078320643 /nfs/dbraw/zinc/32/06/43/1078320643.db2.gz ZHUWLRWVKIYDIO-UFYCRDLUSA-N 1 1 410.518 2.567 20 0 HFADMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000793878816 1078322127 /nfs/dbraw/zinc/32/21/27/1078322127.db2.gz QFIQHPSYZJNBKJ-NRFANRHFSA-N 1 1 414.594 2.670 20 0 HFADMO C[C@H]1C[C@H](NC(=O)C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC[N@H+]1C ZINC000793868889 1078328604 /nfs/dbraw/zinc/32/86/04/1078328604.db2.gz GFICKWUFWPENJS-FXAWDEMLSA-N 1 1 414.594 2.668 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)C[C@H](O)c2ccc(OCc3ccccc3)cc2)[C@H](C)C1 ZINC000793874027 1078330536 /nfs/dbraw/zinc/33/05/36/1078330536.db2.gz KKYLQQOVEHQFKM-MSYCTHLASA-N 1 1 412.530 2.603 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@H](C)C1 ZINC000793874873 1078331333 /nfs/dbraw/zinc/33/13/33/1078331333.db2.gz OUDWQOJGQKXFHX-JENIJYKNSA-N 1 1 405.539 2.556 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000793904131 1078333716 /nfs/dbraw/zinc/33/37/16/1078333716.db2.gz LNWCAERRCMBFDK-UHFFFAOYSA-N 1 1 423.492 2.709 20 0 HFADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)C1 ZINC000793909540 1078335093 /nfs/dbraw/zinc/33/50/93/1078335093.db2.gz HRZIAJAMOHGHSE-HCXYKTFWSA-N 1 1 419.566 2.567 20 0 HFADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)C1 ZINC000793909545 1078335168 /nfs/dbraw/zinc/33/51/68/1078335168.db2.gz HRZIAJAMOHGHSE-ZSYWTGECSA-N 1 1 419.566 2.567 20 0 HFADMO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000793977393 1078350723 /nfs/dbraw/zinc/35/07/23/1078350723.db2.gz XLVWLESEAWJIHC-KSZLIROESA-N 1 1 409.571 2.734 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793978685 1078350902 /nfs/dbraw/zinc/35/09/02/1078350902.db2.gz BHUXSBXWQFQVSI-UFYCRDLUSA-N 1 1 424.545 2.815 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H](NC(=O)c2ccsc2)[C@H]2COC[C@H]21 ZINC001170441405 1078360577 /nfs/dbraw/zinc/36/05/77/1078360577.db2.gz HJKQVAIWUQYRCB-WJFTUGDTSA-N 1 1 414.527 2.927 20 0 HFADMO CC1=C(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@H](C)n2ncnc2N1C ZINC000794146834 1078377830 /nfs/dbraw/zinc/37/78/30/1078377830.db2.gz HLAGMWIAIBRKLM-AZUAARDMSA-N 1 1 408.550 2.981 20 0 HFADMO C[NH+](C)Cc1ccc(NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)cc1Cl ZINC000794234513 1078389764 /nfs/dbraw/zinc/38/97/64/1078389764.db2.gz RPGHTFRULBWSTM-GOSISDBHSA-N 1 1 417.872 2.599 20 0 HFADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H](C)c3ccc4c(c3)OCO4)cc2)CC1 ZINC000794255644 1078392913 /nfs/dbraw/zinc/39/29/13/1078392913.db2.gz SSRQOMLTZGQBTN-INIZCTEOSA-N 1 1 409.486 2.935 20 0 HFADMO C[C@@H](NC(=O)CN1c2ccccc2OC(F)(F)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000794411860 1078433406 /nfs/dbraw/zinc/43/34/06/1078433406.db2.gz OLCJBXRSSYZUSB-CABCVRRESA-N 1 1 407.461 2.774 20 0 HFADMO CC[N@@H+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)[C@@H](C)C1 ZINC000804379392 1078439590 /nfs/dbraw/zinc/43/95/90/1078439590.db2.gz LPQRRPKCEKAVIV-HNNXBMFYSA-N 1 1 413.971 2.681 20 0 HFADMO CC[N@H+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)[C@@H](C)C1 ZINC000804379392 1078439593 /nfs/dbraw/zinc/43/95/93/1078439593.db2.gz LPQRRPKCEKAVIV-HNNXBMFYSA-N 1 1 413.971 2.681 20 0 HFADMO CN(C(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12)C(C)(C)C[NH+]1CCOCC1 ZINC001129773022 1078483574 /nfs/dbraw/zinc/48/35/74/1078483574.db2.gz LHWQYVDQWZKYIZ-RCCFBDPRSA-N 1 1 407.352 2.904 20 0 HFADMO CCN1CC[NH+](CC(C)(C)NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)CC1 ZINC001129807554 1078505228 /nfs/dbraw/zinc/50/52/28/1078505228.db2.gz DQUDAVOMVVCFNG-UHFFFAOYSA-N 1 1 417.529 2.731 20 0 HFADMO CCN1CC[NH+](CC(C)(C)NC(=O)c2ccc(O[C@@H](C)C(F)(F)F)nc2C)CC1 ZINC001129808322 1078506112 /nfs/dbraw/zinc/50/61/12/1078506112.db2.gz OZKKJCXDNUZTPS-HNNXBMFYSA-N 1 1 416.488 2.866 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H](C)Cc1c(C)nn(C)c1C ZINC001129813150 1078511030 /nfs/dbraw/zinc/51/10/30/1078511030.db2.gz JRMHBROEIDEMNU-ODOSVJCGSA-N 1 1 412.578 2.869 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CSC[C@H]1CCCCO1 ZINC001129813850 1078511798 /nfs/dbraw/zinc/51/17/98/1078511798.db2.gz WFZRQQRLJKBERV-NJDAHSKKSA-N 1 1 406.592 2.942 20 0 HFADMO O=C(C1=NO[C@@H](c2ccccc2)C1)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804446220 1078512394 /nfs/dbraw/zinc/51/23/94/1078512394.db2.gz BAFYWZKJXUQEBQ-LADGPHEKSA-N 1 1 418.541 2.923 20 0 HFADMO C[C@H](Oc1ccc(C=O)cc1)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804447549 1078515058 /nfs/dbraw/zinc/51/50/58/1078515058.db2.gz GCUUHMREMDVYSR-REWPJTCUSA-N 1 1 421.541 2.685 20 0 HFADMO COC(=O)Nc1ccccc1C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804449380 1078515133 /nfs/dbraw/zinc/51/51/33/1078515133.db2.gz WRLBUKAOODQGPY-HXUWFJFHSA-N 1 1 422.529 2.897 20 0 HFADMO CNc1cc(C(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc(Cl)n1 ZINC000804446678 1078513233 /nfs/dbraw/zinc/51/32/33/1078513233.db2.gz AEBGXIRQCQYWQK-LJQANCHMSA-N 1 1 413.953 2.809 20 0 HFADMO Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)c2cn(C)c3ccccc23)CC1 ZINC000804684522 1078524646 /nfs/dbraw/zinc/52/46/46/1078524646.db2.gz GMNGLBYXTWIZCH-UHFFFAOYSA-N 1 1 405.498 2.988 20 0 HFADMO CC(=O)c1ccc(NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(S(N)(=O)=O)c1 ZINC000804684209 1078524774 /nfs/dbraw/zinc/52/47/74/1078524774.db2.gz WGTPAXCZODBNKW-OAQYLSRUSA-N 1 1 401.532 2.861 20 0 HFADMO COc1cc(I)ccc1C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC001129801957 1078526141 /nfs/dbraw/zinc/52/61/41/1078526141.db2.gz VIAOCVYRSWXVGD-ZDUSSCGKSA-N 1 1 402.276 2.855 20 0 HFADMO Cc1ccc([C@@H](O)[C@@H](C)NC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000804474636 1078534950 /nfs/dbraw/zinc/53/49/50/1078534950.db2.gz DFLKAUCSFXWEEB-UZLBHIALSA-N 1 1 405.539 2.522 20 0 HFADMO Cc1ccc([C@H](O)[C@@H](C)NC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000804474633 1078535019 /nfs/dbraw/zinc/53/50/19/1078535019.db2.gz DFLKAUCSFXWEEB-OXQOHEQNSA-N 1 1 405.539 2.522 20 0 HFADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nc3cc(Cl)ccn3n2)[C@H](c2cnn(C)c2)C1 ZINC001129566443 1078560283 /nfs/dbraw/zinc/56/02/83/1078560283.db2.gz GUTFJTDFSGRVQE-CVEARBPZSA-N 1 1 401.902 2.569 20 0 HFADMO CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000804532876 1078570315 /nfs/dbraw/zinc/57/03/15/1078570315.db2.gz NLRWFDOTXVQAGF-SFHVURJKSA-N 1 1 407.580 2.976 20 0 HFADMO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(C)C[C@@H]3CCC[N@H+]3C)cc2)C1 ZINC001129906027 1078578035 /nfs/dbraw/zinc/57/80/35/1078578035.db2.gz VFBMMLPCCQCJTC-LMMKCTJWSA-N 1 1 407.580 2.519 20 0 HFADMO Cc1cc(N2C[C@@H](C(=O)N(C)C[C@H]3CCC[N@H+]3C)CC2=O)ccc1Br ZINC001129906040 1078578362 /nfs/dbraw/zinc/57/83/62/1078578362.db2.gz VJUOMIODOIVAGC-GOEBONIOSA-N 1 1 408.340 2.663 20 0 HFADMO COc1ccc(C)cc1CC(=O)OCC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000804743295 1078578405 /nfs/dbraw/zinc/57/84/05/1078578405.db2.gz DOKQZEJUUXEJMF-UHFFFAOYSA-N 1 1 410.514 2.742 20 0 HFADMO O=C(Cc1cnn(-c2ccccc2)n1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804536580 1078584535 /nfs/dbraw/zinc/58/45/35/1078584535.db2.gz WQSGIMKWADYWNX-DEOSSOPVSA-N 1 1 401.514 2.934 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)CCN1C(=S)N=NC1c1ccc(OC)cc1 ZINC000804775683 1078600883 /nfs/dbraw/zinc/60/08/83/1078600883.db2.gz LYFFYXNZXNZQER-INIZCTEOSA-N 1 1 403.552 2.623 20 0 HFADMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCC[N@H+](C)C3CC3)CC2)cc1C ZINC001129628083 1078601518 /nfs/dbraw/zinc/60/15/18/1078601518.db2.gz FMYRCFWVHGQVSU-UHFFFAOYSA-N 1 1 421.607 2.695 20 0 HFADMO CN(C(=O)/C=C/c1ccc(I)o1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000804564839 1078599681 /nfs/dbraw/zinc/59/96/81/1078599681.db2.gz PPNYYASIBSLAKN-AHRUWENYSA-N 1 1 400.260 2.981 20 0 HFADMO COCC(C)(C)[NH+]1CCN(C(=O)[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC001129925440 1078616805 /nfs/dbraw/zinc/61/68/05/1078616805.db2.gz GDBWFEKFMLDYPN-QHCPKHFHSA-N 1 1 417.550 2.604 20 0 HFADMO Cc1nc(-c2cccs2)c(CC(=O)NCC2([NH+]3CCOCC3)CCOCC2)s1 ZINC001129670057 1078628886 /nfs/dbraw/zinc/62/88/86/1078628886.db2.gz RTCLTPFJOAYENL-UHFFFAOYSA-N 1 1 421.588 2.720 20 0 HFADMO CN(C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)C(C)(C)C[NH+]1CCOCC1 ZINC001129658260 1078642266 /nfs/dbraw/zinc/64/22/66/1078642266.db2.gz AJWMTBCUFQEXLI-MDZDMXLPSA-N 1 1 413.562 2.508 20 0 HFADMO C[N@@H+](CCNC(=O)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1)C1CCCC1 ZINC000804818756 1078659732 /nfs/dbraw/zinc/65/97/32/1078659732.db2.gz XEMRFNGCJHSSIR-HXUWFJFHSA-N 1 1 421.969 2.603 20 0 HFADMO NC(=O)c1cc(Cl)nnc1NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000747215456 1078655481 /nfs/dbraw/zinc/65/54/81/1078655481.db2.gz XRPHISCJBHEBAJ-UHFFFAOYSA-N 1 1 412.881 2.960 20 0 HFADMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC001129678594 1078666491 /nfs/dbraw/zinc/66/64/91/1078666491.db2.gz CRQDYGIOBBJWNN-OAHLLOKOSA-N 1 1 415.987 2.972 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000804828727 1078667770 /nfs/dbraw/zinc/66/77/70/1078667770.db2.gz XTLXIVAWVORZLQ-UXHICEINSA-N 1 1 414.594 2.872 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000804828382 1078668253 /nfs/dbraw/zinc/66/82/53/1078668253.db2.gz PAXHOJUJRKYPRJ-FQEVSTJZSA-N 1 1 422.573 2.882 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000804832811 1078672282 /nfs/dbraw/zinc/67/22/82/1078672282.db2.gz VTNNZWCVJIWASD-RXVVDRJESA-N 1 1 408.546 2.538 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000804832770 1078672299 /nfs/dbraw/zinc/67/22/99/1078672299.db2.gz VDMAXVZPLRTYRD-OAQYLSRUSA-N 1 1 408.546 2.540 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(c3ccnc4cc(F)cnc43)C2)CC1 ZINC000804833978 1078676499 /nfs/dbraw/zinc/67/64/99/1078676499.db2.gz RKFADZBLMIERHV-INIZCTEOSA-N 1 1 401.486 2.900 20 0 HFADMO C[NH+]1CCN([C@@H](C(=O)Nc2cccc(N=S(C)(C)=O)c2)c2ccccc2)CC1 ZINC001129738839 1078686304 /nfs/dbraw/zinc/68/63/04/1078686304.db2.gz MHKUVVFVTFTQRT-HXUWFJFHSA-N 1 1 400.548 2.973 20 0 HFADMO Cc1noc(C)c1CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000804642917 1078695330 /nfs/dbraw/zinc/69/53/30/1078695330.db2.gz AAFXOGQGVOZKFZ-OXJNMPFZSA-N 1 1 412.534 2.510 20 0 HFADMO CCN(CCc1ccccn1)C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000804643991 1078698924 /nfs/dbraw/zinc/69/89/24/1078698924.db2.gz VLEYENLHMBLXPH-UGKGYDQZSA-N 1 1 408.546 2.642 20 0 HFADMO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000804645724 1078701580 /nfs/dbraw/zinc/70/15/80/1078701580.db2.gz XBHGWRYIURJUMD-GGPKGHCWSA-N 1 1 407.555 2.537 20 0 HFADMO CC[C@](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)(C(=O)OC)c1ccccc1 ZINC001129793181 1078733317 /nfs/dbraw/zinc/73/33/17/1078733317.db2.gz RFORLYFBUKSJRH-ZJSXRUAMSA-N 1 1 410.514 2.525 20 0 HFADMO CC[C@](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)(C(=O)OC)c1ccccc1 ZINC001129793181 1078733323 /nfs/dbraw/zinc/73/33/23/1078733323.db2.gz RFORLYFBUKSJRH-ZJSXRUAMSA-N 1 1 410.514 2.525 20 0 HFADMO CC(C)C[N@H+]1CCO[C@H](COC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)C1 ZINC000804944624 1078771790 /nfs/dbraw/zinc/77/17/90/1078771790.db2.gz ZVIKCEGWWDCHOP-ICSRJNTNSA-N 1 1 403.523 2.831 20 0 HFADMO CCc1ccc([C@H](O)CNC(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000804945865 1078772729 /nfs/dbraw/zinc/77/27/29/1078772729.db2.gz UGNVXCYFAWDLOR-HSZRJFAPSA-N 1 1 410.562 2.529 20 0 HFADMO 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COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)[C@@H]1C ZINC000787324641 1076767763 /nfs/dbraw/zinc/76/77/63/1076767763.db2.gz KWJWBEYOGAFOAV-RHSMWYFYSA-N 1 1 413.449 2.900 20 0 HFADMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)[C@@H]1C ZINC000787324641 1076767778 /nfs/dbraw/zinc/76/77/78/1076767778.db2.gz KWJWBEYOGAFOAV-RHSMWYFYSA-N 1 1 413.449 2.900 20 0 HFADMO CCOC(=O)c1nn(C)cc1C[NH+]1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000787327535 1076770517 /nfs/dbraw/zinc/77/05/17/1076770517.db2.gz HVYBLUQMPHDUAL-UHFFFAOYSA-N 1 1 414.506 2.735 20 0 HFADMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787347024 1076788366 /nfs/dbraw/zinc/78/83/66/1076788366.db2.gz RYPRBDSIJFBROL-HOTGVXAUSA-N 1 1 405.543 2.738 20 0 HFADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787393285 1076806440 /nfs/dbraw/zinc/80/64/40/1076806440.db2.gz IDJQRZQVHQRHCJ-DLBZAZTESA-N 1 1 419.570 2.938 20 0 HFADMO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787393285 1076806445 /nfs/dbraw/zinc/80/64/45/1076806445.db2.gz IDJQRZQVHQRHCJ-DLBZAZTESA-N 1 1 419.570 2.938 20 0 HFADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787393285 1076806451 /nfs/dbraw/zinc/80/64/51/1076806451.db2.gz IDJQRZQVHQRHCJ-DLBZAZTESA-N 1 1 419.570 2.938 20 0 HFADMO Cc1cccc(NCCNC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)[nH+]1 ZINC000787400914 1076807871 /nfs/dbraw/zinc/80/78/71/1076807871.db2.gz UFTGGXIOUZQPER-HNNXBMFYSA-N 1 1 414.510 2.679 20 0 HFADMO O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000746686220 1076821173 /nfs/dbraw/zinc/82/11/73/1076821173.db2.gz FLLQQXGSBRTCRK-UHFFFAOYSA-N 1 1 422.554 2.509 20 0 HFADMO O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000746688038 1076836643 /nfs/dbraw/zinc/83/66/43/1076836643.db2.gz OLWUVDXKXOGPBJ-UHFFFAOYSA-N 1 1 422.554 2.714 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@H](c3ccc(C)cc3)C[C@@H]2C)cn1 ZINC000787481222 1076838890 /nfs/dbraw/zinc/83/88/90/1076838890.db2.gz KVJRLUAMZZGCEP-LAUBAEHRSA-N 1 1 417.513 2.905 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@@H](C)C[C@H]2c2cccc(F)c2)cn1 ZINC000787484019 1076841564 /nfs/dbraw/zinc/84/15/64/1076841564.db2.gz IPMKEYINJUYKMW-YWZLYKJASA-N 1 1 421.476 2.941 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)cn1 ZINC000787483435 1076842268 /nfs/dbraw/zinc/84/22/68/1076842268.db2.gz DNESHOMTDUFJKH-FXAWDEMLSA-N 1 1 417.513 2.905 20 0 HFADMO O=C(Cn1c(=O)c2ccccc2[nH]c1=S)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000746687219 1076842584 /nfs/dbraw/zinc/84/25/84/1076842584.db2.gz OAVNRIDTNGTXSH-UHFFFAOYSA-N 1 1 414.575 2.800 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCCCc2cccc(Cl)c2)cn1 ZINC000787485034 1076842892 /nfs/dbraw/zinc/84/28/92/1076842892.db2.gz HWLUEBAFVQYDCA-UHFFFAOYSA-N 1 1 411.893 2.594 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(Cc2ccco2)C2CCCC2)cn1 ZINC000787487711 1076844416 /nfs/dbraw/zinc/84/44/16/1076844416.db2.gz YNNGNLUGWZKYHQ-UHFFFAOYSA-N 1 1 407.474 2.756 20 0 HFADMO O=C(Cn1c(=O)c2ccccc2[nH]c1=S)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000746688755 1076857831 /nfs/dbraw/zinc/85/78/31/1076857831.db2.gz NUFTXQUGNZRBCR-KRWDZBQOSA-N 1 1 414.575 2.800 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccccc1SC(F)F ZINC000787606773 1076875964 /nfs/dbraw/zinc/87/59/64/1076875964.db2.gz KSNMTQGQARQCQY-CYBMUJFWSA-N 1 1 413.490 2.652 20 0 HFADMO CC[C@H](CNC(=O)C(=O)N(C)Cc1ccc(Cl)nc1)[N@H+]1CCc2ccccc2C1 ZINC000787630934 1076884158 /nfs/dbraw/zinc/88/41/58/1076884158.db2.gz FFDXCNHBHUIUHH-LJQANCHMSA-N 1 1 414.937 2.647 20 0 HFADMO CC[C@@H](CNC(=O)C(=O)N1CCC[C@H]1c1cc(C)on1)[N@H+]1CCc2ccccc2C1 ZINC000787632927 1076885264 /nfs/dbraw/zinc/88/52/64/1076885264.db2.gz UNVUSPDMUAETGJ-FPOVZHCZSA-N 1 1 410.518 2.600 20 0 HFADMO COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@@H](C)Cc1ccco1)[NH+]1CCCCC1 ZINC000787599591 1076887630 /nfs/dbraw/zinc/88/76/30/1076887630.db2.gz UIKJVWPZGQSDHY-FXAWDEMLSA-N 1 1 413.518 2.679 20 0 HFADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000787674211 1076889606 /nfs/dbraw/zinc/88/96/06/1076889606.db2.gz TUZUDKZFCSCRMS-IBGZPJMESA-N 1 1 421.541 2.795 20 0 HFADMO C[C@H](NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000787674491 1076890088 /nfs/dbraw/zinc/89/00/88/1076890088.db2.gz HRILGBLJYYYGTJ-KGLIPLIRSA-N 1 1 401.429 2.611 20 0 HFADMO C[C@@H](CNC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)N(C)c1ccccc1 ZINC000787638461 1076892182 /nfs/dbraw/zinc/89/21/82/1076892182.db2.gz MOUZHQBOBVYXIR-CPJSRVTESA-N 1 1 422.573 2.656 20 0 HFADMO C[C@H](CNC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)N(C)c1ccccc1 ZINC000787638463 1076892201 /nfs/dbraw/zinc/89/22/01/1076892201.db2.gz MOUZHQBOBVYXIR-NLFFAJNJSA-N 1 1 422.573 2.656 20 0 HFADMO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)C2)cc1 ZINC000787654844 1076899569 /nfs/dbraw/zinc/89/95/69/1076899569.db2.gz PVDARPVZVSWOFK-ICSRJNTNSA-N 1 1 414.575 2.561 20 0 HFADMO CN1CCN(c2ccccc2NC(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000746705215 1076907217 /nfs/dbraw/zinc/90/72/17/1076907217.db2.gz ITOQNKMMGBCVRT-UHFFFAOYSA-N 1 1 411.550 2.701 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@H]([NH+]2CCN(CCc3ccccc3)CC2)C1 ZINC000787710115 1076921385 /nfs/dbraw/zinc/92/13/85/1076921385.db2.gz ZZSBBOCIUIKABM-NFBKMPQASA-N 1 1 403.567 2.607 20 0 HFADMO C[N@H+]([C@@H]1CCN(c2ccccc2F)C1=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000787716856 1076924432 /nfs/dbraw/zinc/92/44/32/1076924432.db2.gz JXJUOBDHDNYNNH-KGVIQGDOSA-N 1 1 421.513 2.623 20 0 HFADMO C[N@@H+]([C@@H]1CCN(c2ccccc2F)C1=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000787716856 1076924435 /nfs/dbraw/zinc/92/44/35/1076924435.db2.gz JXJUOBDHDNYNNH-KGVIQGDOSA-N 1 1 421.513 2.623 20 0 HFADMO CCCn1c(C(=O)OCC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc2ccccc21 ZINC000787867923 1076987990 /nfs/dbraw/zinc/98/79/90/1076987990.db2.gz AOMQDDNMRJKKPC-LJQANCHMSA-N 1 1 415.534 2.681 20 0 HFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)C1 ZINC000787909785 1076991836 /nfs/dbraw/zinc/99/18/36/1076991836.db2.gz JQSVPBLZVSFAHS-YRPNKDGESA-N 1 1 419.566 2.568 20 0 HFADMO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)C2)cc1 ZINC000787913046 1076993233 /nfs/dbraw/zinc/99/32/33/1076993233.db2.gz UXRUQPUEZJIKLE-SFTDATJTSA-N 1 1 414.594 2.708 20 0 HFADMO C[C@@H](Cc1ccco1)NC(=O)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000787960944 1077010027 /nfs/dbraw/zinc/01/00/27/1077010027.db2.gz JLHJIGPABJRZNO-SFHVURJKSA-N 1 1 405.498 2.824 20 0 HFADMO C[C@H](Cc1ccco1)NC(=O)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000787972975 1077013789 /nfs/dbraw/zinc/01/37/89/1077013789.db2.gz FZXNZUPUMKHADX-ZXYWRSMDSA-N 1 1 421.900 2.929 20 0 HFADMO C[C@@H](Cc1ccccc1F)NC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000787975336 1077015070 /nfs/dbraw/zinc/01/50/70/1077015070.db2.gz PEDILXADKRBWLH-MHECFPHRSA-N 1 1 411.521 2.901 20 0 HFADMO C[C@H](Cc1ccccc1F)NC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000787975334 1077015099 /nfs/dbraw/zinc/01/50/99/1077015099.db2.gz PEDILXADKRBWLH-HOYKHHGWSA-N 1 1 411.521 2.901 20 0 HFADMO C[C@H](Cc1ccco1)NC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000787941003 1077018092 /nfs/dbraw/zinc/01/80/92/1077018092.db2.gz ORIUCJIGCXMJGC-QTPAZIJBSA-N 1 1 409.530 2.744 20 0 HFADMO CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788004575 1077026162 /nfs/dbraw/zinc/02/61/62/1077026162.db2.gz WLZQJVYBYCGDCG-LJQANCHMSA-N 1 1 419.566 2.948 20 0 HFADMO Cc1ccc([C@@H](C)NC(=O)C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000788016308 1077029509 /nfs/dbraw/zinc/02/95/09/1077029509.db2.gz SEMLVNZDTMYBQW-FUHWJXTLSA-N 1 1 414.575 2.561 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC/C=C\CNC(=O)OC(C)(C)C ZINC000788035416 1077035562 /nfs/dbraw/zinc/03/55/62/1077035562.db2.gz SRGFNDFKPDXOLG-MQCDJQTNSA-N 1 1 402.539 2.887 20 0 HFADMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc3n(n2)CCC[C@@H]3NC(=O)OC(C)(C)C)C1 ZINC001626111832 1077048574 /nfs/dbraw/zinc/04/85/74/1077048574.db2.gz SWXBEXAJVAACGW-CVEARBPZSA-N 1 1 405.543 2.704 20 0 HFADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)CC3CCC4(CC3)OCCO4)c2)CCO1 ZINC000788174046 1077066696 /nfs/dbraw/zinc/06/66/96/1077066696.db2.gz HZTGOQIXSXCXAK-GOSISDBHSA-N 1 1 402.535 2.847 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)CC3CCC4(CC3)OCCO4)c2)CCO1 ZINC000788174046 1077066701 /nfs/dbraw/zinc/06/67/01/1077066701.db2.gz HZTGOQIXSXCXAK-GOSISDBHSA-N 1 1 402.535 2.847 20 0 HFADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)CC2CCC3(CC2)OCCO3)CC1 ZINC000788158467 1077071261 /nfs/dbraw/zinc/07/12/61/1077071261.db2.gz FJUFGKHMOONPRN-UHFFFAOYSA-N 1 1 415.578 2.764 20 0 HFADMO COCCOC(=O)c1c(C)[nH]c(C(=O)NCC[N@@H+]2CC=C(C(C)(C)C)CC2)c1C ZINC000788157427 1077071334 /nfs/dbraw/zinc/07/13/34/1077071334.db2.gz XIPVLZYZFMZQIG-UHFFFAOYSA-N 1 1 405.539 2.843 20 0 HFADMO Cc1cc(C(=O)C[N@H+](C)CCCCO)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000788280751 1077096766 /nfs/dbraw/zinc/09/67/66/1077096766.db2.gz ZUBNYRRCSKBTFA-UHFFFAOYSA-N 1 1 424.545 2.779 20 0 HFADMO Cc1cc(C(=O)C[N@@H+](C)CCCCO)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000788280751 1077096772 /nfs/dbraw/zinc/09/67/72/1077096772.db2.gz ZUBNYRRCSKBTFA-UHFFFAOYSA-N 1 1 424.545 2.779 20 0 HFADMO O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)C(F)(F)C1(O)CCCC1 ZINC000788282521 1077097310 /nfs/dbraw/zinc/09/73/10/1077097310.db2.gz JFLUJNKNQWPMCT-UHFFFAOYSA-N 1 1 409.521 2.641 20 0 HFADMO C[C@H](C[NH+]1CCOCC1)N(C)Cn1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000788377905 1077133931 /nfs/dbraw/zinc/13/39/31/1077133931.db2.gz MFURCQHEIHYZDG-QGZVFWFLSA-N 1 1 410.493 2.813 20 0 HFADMO COc1ccc2cc(CN(C)C(=O)C[NH+]3CCC([C@@H](O)c4ncc[nH]4)CC3)ccc2c1 ZINC000788473193 1077170689 /nfs/dbraw/zinc/17/06/89/1077170689.db2.gz ICDSKFGZOBRCLY-HSZRJFAPSA-N 1 1 422.529 2.976 20 0 HFADMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000788476652 1077172448 /nfs/dbraw/zinc/17/24/48/1077172448.db2.gz SEDSHPBPJOEMHE-RBUKOAKNSA-N 1 1 410.603 2.556 20 0 HFADMO CC(=O)Nc1cccc2c1CC[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC000788478335 1077173589 /nfs/dbraw/zinc/17/35/89/1077173589.db2.gz GXRPDQQDFIVLQP-UHFFFAOYSA-N 1 1 402.539 2.556 20 0 HFADMO CC(C)(C)OC(=O)N1CCN(CC[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)CC1 ZINC000788486304 1077177560 /nfs/dbraw/zinc/17/75/60/1077177560.db2.gz SJORLXOTKCVCPA-HSZRJFAPSA-N 1 1 401.551 2.713 20 0 HFADMO CC(C)(C)OC(=O)N1CCN(CC[N@H+]2CCO[C@]3(CCc4ccccc43)C2)CC1 ZINC000788486304 1077177565 /nfs/dbraw/zinc/17/75/65/1077177565.db2.gz SJORLXOTKCVCPA-HSZRJFAPSA-N 1 1 401.551 2.713 20 0 HFADMO COC(=O)c1sc(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c(C)c1Cl ZINC000788606332 1077221350 /nfs/dbraw/zinc/22/13/50/1077221350.db2.gz FWGQFOQZMMLHTH-LLVKDONJSA-N 1 1 408.973 2.895 20 0 HFADMO CN1CC[NH+](Cc2ccc(CNC(=O)c3nc(Br)cs3)cc2)CC1 ZINC000788642899 1077244810 /nfs/dbraw/zinc/24/48/10/1077244810.db2.gz GAQQLZVTAGBKLF-UHFFFAOYSA-N 1 1 409.353 2.583 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(OCc2cccnc2)cc1 ZINC000790967430 1077257438 /nfs/dbraw/zinc/25/74/38/1077257438.db2.gz FPZWVOZUVDGWFP-HXUWFJFHSA-N 1 1 410.518 2.836 20 0 HFADMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000788669729 1077261816 /nfs/dbraw/zinc/26/18/16/1077261816.db2.gz YFSQLVKKHGUIQF-PMACEKPBSA-N 1 1 421.501 2.632 20 0 HFADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NCc2nccn2-c2ccccc2)cc1 ZINC000790978949 1077269316 /nfs/dbraw/zinc/26/93/16/1077269316.db2.gz QKNANAOLMYXTPG-UHFFFAOYSA-N 1 1 418.545 2.695 20 0 HFADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NCc1nccn1-c1ccccc1 ZINC000790981664 1077269336 /nfs/dbraw/zinc/26/93/36/1077269336.db2.gz JXVADDDWDXWXBM-UHFFFAOYSA-N 1 1 405.502 2.881 20 0 HFADMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](C[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)C1 ZINC001170147615 1077276336 /nfs/dbraw/zinc/27/63/36/1077276336.db2.gz 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CCc1nc(C(=O)OCCC[NH+]2CCN(C(C)C)CC2)nn1-c1ccccc1F ZINC000791951061 1077627307 /nfs/dbraw/zinc/62/73/07/1077627307.db2.gz BEJNBZYBIKSGNO-UHFFFAOYSA-N 1 1 403.502 2.542 20 0 HFADMO C[C@@]1(c2ccccc2Br)NC(=O)N(C[N@@H+]2CC[C@]3(C2)CCCOC3)C1=O ZINC000789538491 1077633405 /nfs/dbraw/zinc/63/34/05/1077633405.db2.gz CBLYZBZGRMBHQG-OALUTQOASA-N 1 1 422.323 2.676 20 0 HFADMO C[C@@]1(c2ccccc2Br)NC(=O)N(C[N@H+]2CC[C@]3(C2)CCCOC3)C1=O ZINC000789538491 1077633409 /nfs/dbraw/zinc/63/34/09/1077633409.db2.gz CBLYZBZGRMBHQG-OALUTQOASA-N 1 1 422.323 2.676 20 0 HFADMO CCn1c(CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)nc2ccccc21 ZINC000792030686 1077657776 /nfs/dbraw/zinc/65/77/76/1077657776.db2.gz QGBUDLWQIBNGBF-UHFFFAOYSA-N 1 1 415.538 2.615 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCCCC[N@H+]3CCC[C@H](C)C3)C2)c1 ZINC000792056678 1077661743 /nfs/dbraw/zinc/66/17/43/1077661743.db2.gz HXWMZURUJWRKGN-KKSFZXQISA-N 1 1 403.523 2.825 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)c1 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BNACOIUTBZNYPM-UHFFFAOYSA-N 1 1 405.539 2.604 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2ccc(N3CCCC3)cn2)CC1 ZINC000792051606 1077694653 /nfs/dbraw/zinc/69/46/53/1077694653.db2.gz DPRAFQYMSHLSRM-UHFFFAOYSA-N 1 1 403.527 2.563 20 0 HFADMO COC(=O)c1cccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1C ZINC000792050948 1077695105 /nfs/dbraw/zinc/69/51/05/1077695105.db2.gz ITDWUMABXYTCQC-UHFFFAOYSA-N 1 1 405.495 2.663 20 0 HFADMO Cc1ccc(N2CC[C@@H](NC(=O)N3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)C2=O)cc1 ZINC000792105564 1077698809 /nfs/dbraw/zinc/69/88/09/1077698809.db2.gz KGSWBEWAWHTZAS-FUPPJEDESA-N 1 1 418.541 2.874 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)c2sc(N3CCCC3)nc2Cl)CC1 ZINC000792106020 1077699560 /nfs/dbraw/zinc/69/95/60/1077699560.db2.gz RHHUFZZECAKUOC-UHFFFAOYSA-N 1 1 400.976 2.970 20 0 HFADMO Cc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000792108198 1077700368 /nfs/dbraw/zinc/70/03/68/1077700368.db2.gz SNOUDROJMODJJC-UNMCSNQZSA-N 1 1 406.530 2.922 20 0 HFADMO CCNC(=O)Nc1cccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792096454 1077713367 /nfs/dbraw/zinc/71/33/67/1077713367.db2.gz IOYBJJHJJMMZNW-UHFFFAOYSA-N 1 1 419.526 2.709 20 0 HFADMO C[C@@H](O[NH+]=C(N)CCNC(=O)OC(C)(C)C)C(=O)N1CCSc2ccccc21 ZINC000789646123 1077717635 /nfs/dbraw/zinc/71/76/35/1077717635.db2.gz XJTRBMODSAJBHV-CYBMUJFWSA-N 1 1 408.524 2.927 20 0 HFADMO CC(C)(C)OC(=O)NCCC(N)=[NH+]OCC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000789646068 1077717720 /nfs/dbraw/zinc/71/77/20/1077717720.db2.gz VDMPADSORLARDJ-UHFFFAOYSA-N 1 1 405.499 2.639 20 0 HFADMO COc1ccccc1CCN(C)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792147432 1077722583 /nfs/dbraw/zinc/72/25/83/1077722583.db2.gz PRFQCWWVOYQEMM-UHFFFAOYSA-N 1 1 405.539 2.639 20 0 HFADMO COC(=O)[C@]1(NC(=O)[C@H]2CC(=O)c3ccccc32)CCC[N@H+](Cc2ccccc2)C1 ZINC000789658991 1077723613 /nfs/dbraw/zinc/72/36/13/1077723613.db2.gz YKRLSMHJJSUTLT-RDPSFJRHSA-N 1 1 406.482 2.681 20 0 HFADMO COC(=O)[C@]1(NC(=O)[C@H]2CC(=O)c3ccccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000789658991 1077723619 /nfs/dbraw/zinc/72/36/19/1077723619.db2.gz YKRLSMHJJSUTLT-RDPSFJRHSA-N 1 1 406.482 2.681 20 0 HFADMO Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000746846657 1077728279 /nfs/dbraw/zinc/72/82/79/1077728279.db2.gz DTWFTPGSOSZFBB-DNTLXXRNSA-N 1 1 412.513 2.983 20 0 HFADMO COC(=O)CN(Cc1cccc(Br)c1)C(=O)CCCn1cc[nH+]c1C ZINC000789693925 1077731546 /nfs/dbraw/zinc/73/15/46/1077731546.db2.gz FTPGXCDZXIVNCR-UHFFFAOYSA-N 1 1 408.296 2.936 20 0 HFADMO CC/C(=C\C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)c1ccc(OC)cc1 ZINC000746848342 1077737130 /nfs/dbraw/zinc/73/71/30/1077737130.db2.gz ZAVKTYQOCUAVNQ-CZIZESTLSA-N 1 1 413.562 2.891 20 0 HFADMO CCc1ccc([C@@H]2COCCN2C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000792190383 1077739435 /nfs/dbraw/zinc/73/94/35/1077739435.db2.gz KDRIANKIHVOBFN-SFHVURJKSA-N 1 1 421.538 2.685 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CCC[N@H+](C4CCCC4)CC3)C2)c1 ZINC000792193871 1077740021 /nfs/dbraw/zinc/74/00/21/1077740021.db2.gz KXVVKRFWLVEIAN-OAQYLSRUSA-N 1 1 401.507 2.674 20 0 HFADMO COc1cc(CCNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)ccc1C ZINC000792193153 1077740251 /nfs/dbraw/zinc/74/02/51/1077740251.db2.gz JMEOTDUATSJYRM-UHFFFAOYSA-N 1 1 405.539 2.605 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCC2(c3cccc(F)c3)CC2)CC1 ZINC000792195571 1077740807 /nfs/dbraw/zinc/74/08/07/1077740807.db2.gz VOWFWILHROJHJV-UHFFFAOYSA-N 1 1 405.514 2.916 20 0 HFADMO CCc1ccc([C@@H](COC)NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000792196991 1077741709 /nfs/dbraw/zinc/74/17/09/1077741709.db2.gz QSJHWXXCGIGUIO-QGZVFWFLSA-N 1 1 409.527 2.589 20 0 HFADMO COc1cccc(O[C@H](C)CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792198717 1077741994 /nfs/dbraw/zinc/74/19/94/1077741994.db2.gz GGVUUAOSSMQKDJ-QGZVFWFLSA-N 1 1 421.538 2.522 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CC[C@@H]([N@@H+](C)Cc4ccccc4)C3)C2)c1 ZINC000792199634 1077742859 /nfs/dbraw/zinc/74/28/59/1077742859.db2.gz 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CN(C)c1ccc(NC(=O)CC[N@@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000792242293 1077761818 /nfs/dbraw/zinc/76/18/18/1077761818.db2.gz QNHCPFCIPQAYAB-RTBURBONSA-N 1 1 403.548 2.967 20 0 HFADMO CN(C)c1ccc(NC(=O)CC[N@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000792242293 1077761824 /nfs/dbraw/zinc/76/18/24/1077761824.db2.gz QNHCPFCIPQAYAB-RTBURBONSA-N 1 1 403.548 2.967 20 0 HFADMO CC(C)c1ccc(C[NH+]2CCN(C(=O)COC(=O)c3cnc4n3CCCC4)CC2)cc1 ZINC000792244474 1077762759 /nfs/dbraw/zinc/76/27/59/1077762759.db2.gz QJIXZEAHRLHOAA-UHFFFAOYSA-N 1 1 424.545 2.844 20 0 HFADMO CC(C)(C)OC(=O)NC(C)(C)c1noc([C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000789767003 1077768967 /nfs/dbraw/zinc/76/89/67/1077768967.db2.gz DXTAEOFZLVHVJH-NRFANRHFSA-N 1 1 402.495 2.923 20 0 HFADMO CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC000789768672 1077770561 /nfs/dbraw/zinc/77/05/61/1077770561.db2.gz HRRXMODBPIFRMP-GOSISDBHSA-N 1 1 415.600 2.524 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)[C@H]2CCCc3c(O)cccc32)CC1 ZINC000789737703 1077772995 /nfs/dbraw/zinc/77/29/95/1077772995.db2.gz TXXGBPIXTLYBGY-IBGZPJMESA-N 1 1 417.550 2.871 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@H]2CCCN2C(=O)OCc2ccccc2)CC1 ZINC000792280904 1077773474 /nfs/dbraw/zinc/77/34/74/1077773474.db2.gz JVZSSTKEEICPHZ-OAQYLSRUSA-N 1 1 417.550 2.747 20 0 HFADMO CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792292837 1077777874 /nfs/dbraw/zinc/77/78/74/1077777874.db2.gz DNBANRPMYBYAFJ-UZLBHIALSA-N 1 1 423.529 2.961 20 0 HFADMO CC(C)N(CC(=O)OC(C)(C)C)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792291327 1077777935 /nfs/dbraw/zinc/77/79/35/1077777935.db2.gz RZEUJJIKWZSSKZ-UHFFFAOYSA-N 1 1 413.559 2.508 20 0 HFADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1ccc(Cl)nc1C ZINC000789752184 1077782906 /nfs/dbraw/zinc/78/29/06/1077782906.db2.gz ODUGEAKYHJADGK-QGZVFWFLSA-N 1 1 415.925 2.890 20 0 HFADMO CC[C@@H](C)Oc1cc(CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)ccn1 ZINC000792301107 1077796318 /nfs/dbraw/zinc/79/63/18/1077796318.db2.gz NGEGUKDUOPOARO-QGZVFWFLSA-N 1 1 420.554 2.818 20 0 HFADMO COC(=O)Nc1cccc(C(=O)OCC[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000789791906 1077798581 /nfs/dbraw/zinc/79/85/81/1077798581.db2.gz KRDNXEGXUHESPG-UHFFFAOYSA-N 1 1 421.494 2.965 20 0 HFADMO COC(=O)Nc1cccc(C(=O)OCC[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000789791906 1077798586 /nfs/dbraw/zinc/79/85/86/1077798586.db2.gz KRDNXEGXUHESPG-UHFFFAOYSA-N 1 1 421.494 2.965 20 0 HFADMO C[C@@H](NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000792308804 1077799335 /nfs/dbraw/zinc/79/93/35/1077799335.db2.gz HNGVXMMNNDHLME-MOPGFXCFSA-N 1 1 422.614 2.698 20 0 HFADMO C[C@@H]1C[C@H](c2cccnc2)N(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792317084 1077804026 /nfs/dbraw/zinc/80/40/26/1077804026.db2.gz FIJPPBWRVNFLEB-IEBWSBKVSA-N 1 1 402.539 2.934 20 0 HFADMO Cn1c2cc(F)ccc2nc1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792329987 1077809930 /nfs/dbraw/zinc/80/99/30/1077809930.db2.gz 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O=C(Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2n[nH]nc2cc1F ZINC000789819330 1077826264 /nfs/dbraw/zinc/82/62/64/1077826264.db2.gz RQZZNEPUYURSOP-HNNXBMFYSA-N 1 1 405.437 2.993 20 0 HFADMO C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000792387959 1077830417 /nfs/dbraw/zinc/83/04/17/1077830417.db2.gz OTFKICKMTRFKLQ-YOEHRIQHSA-N 1 1 412.456 2.566 20 0 HFADMO O=C(CC[N@@H+]1CCO[C@H](COc2ccccc2)C1)Nc1ccccc1C(=O)NC1CC1 ZINC000792378619 1077843969 /nfs/dbraw/zinc/84/39/69/1077843969.db2.gz YELPBMHZXYKXDB-FQEVSTJZSA-N 1 1 423.513 2.687 20 0 HFADMO O=C(CC[N@H+]1CCO[C@H](COc2ccccc2)C1)Nc1ccccc1C(=O)NC1CC1 ZINC000792378619 1077843973 /nfs/dbraw/zinc/84/39/73/1077843973.db2.gz YELPBMHZXYKXDB-FQEVSTJZSA-N 1 1 423.513 2.687 20 0 HFADMO CN(CCCOc1ccccc1)C(=O)C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000792379636 1077844687 /nfs/dbraw/zinc/84/46/87/1077844687.db2.gz KJXJJIQAMJPDDX-UHFFFAOYSA-N 1 1 401.482 2.991 20 0 HFADMO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NC(=O)c1n[nH]nc1C)CC2 ZINC000789911899 1077845494 /nfs/dbraw/zinc/84/54/94/1077845494.db2.gz WMQVJZGWAVNNRL-UHFFFAOYSA-N 1 1 407.474 2.941 20 0 HFADMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NC(=O)c1n[nH]nc1C)CC2 ZINC000789911899 1077845500 /nfs/dbraw/zinc/84/55/00/1077845500.db2.gz WMQVJZGWAVNNRL-UHFFFAOYSA-N 1 1 407.474 2.941 20 0 HFADMO CC(C)c1nnc(CCC(=O)OCC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)o1 ZINC000747071955 1077852854 /nfs/dbraw/zinc/85/28/54/1077852854.db2.gz YLJSHUVFMUIRFV-QGZVFWFLSA-N 1 1 414.506 2.574 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NC[C@H](c1ccccc1)C(C)C ZINC000789897371 1077854216 /nfs/dbraw/zinc/85/42/16/1077854216.db2.gz HRSQVHJUPCXMQH-FQEVSTJZSA-N 1 1 405.502 2.748 20 0 HFADMO O=C(CNC(=O)OCC(F)(F)F)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000746866030 1077862966 /nfs/dbraw/zinc/86/29/66/1077862966.db2.gz NUZNVVKJCCWPKB-IBGZPJMESA-N 1 1 413.440 2.790 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)C[C@H](C)O1 ZINC000792492208 1077864991 /nfs/dbraw/zinc/86/49/91/1077864991.db2.gz VBHYEGCUCHQKQU-IYBDPMFKSA-N 1 1 406.527 2.539 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)C[C@H](C)O1 ZINC000792492208 1077864996 /nfs/dbraw/zinc/86/49/96/1077864996.db2.gz VBHYEGCUCHQKQU-IYBDPMFKSA-N 1 1 406.527 2.539 20 0 HFADMO CS(=O)(=O)Nc1ccc(/C=C\C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000792495064 1077866704 /nfs/dbraw/zinc/86/67/04/1077866704.db2.gz JMOLIHQNKUHRAS-FNUUXAGOSA-N 1 1 413.543 2.710 20 0 HFADMO COC(=O)c1cc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c(C)cc1C ZINC000792474621 1077873576 /nfs/dbraw/zinc/87/35/76/1077873576.db2.gz HODCYVNKOGQDHQ-UHFFFAOYSA-N 1 1 419.522 2.971 20 0 HFADMO Cc1ccccc1C[NH+]1CCN(C(=O)Cn2ccnc2[C@@H](O)c2ccc(F)cc2)CC1 ZINC000789968958 1077875901 /nfs/dbraw/zinc/87/59/01/1077875901.db2.gz ASKVNOXGOGINTJ-QHCPKHFHSA-N 1 1 422.504 2.757 20 0 HFADMO C[C@H](CNC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)NC(=O)OC(C)(C)C ZINC000792512332 1077881397 /nfs/dbraw/zinc/88/13/97/1077881397.db2.gz MTKDDRVQONDGKI-IKGGRYGDSA-N 1 1 405.539 2.939 20 0 HFADMO C[C@@H](CNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000790031157 1077903574 /nfs/dbraw/zinc/90/35/74/1077903574.db2.gz FHYUWJQBHBMCJT-UXHICEINSA-N 1 1 414.594 2.572 20 0 HFADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000772800991 1077907926 /nfs/dbraw/zinc/90/79/26/1077907926.db2.gz UVYSXIZCZMKDQJ-INIZCTEOSA-N 1 1 412.625 2.591 20 0 HFADMO CCNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)NCCc1ccc(OC(C)C)cc1 ZINC001170218080 1077909974 /nfs/dbraw/zinc/90/99/74/1077909974.db2.gz SZQCVUMNMNAYKT-LJQANCHMSA-N 1 1 405.539 2.733 20 0 HFADMO CCNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)NCCc1ccc(OC(C)C)cc1 ZINC001170218080 1077909975 /nfs/dbraw/zinc/90/99/75/1077909975.db2.gz SZQCVUMNMNAYKT-LJQANCHMSA-N 1 1 405.539 2.733 20 0 HFADMO CC[C@@H]1C[C@H]([N@H+]2CC[C@H]3C(=O)N(Cc4ccc(OC)cc4)CCO[C@H]3C2)CCO1 ZINC001170224198 1077916802 /nfs/dbraw/zinc/91/68/02/1077916802.db2.gz UITSCTRZWRPBLP-CZAYHTPWSA-N 1 1 402.535 2.702 20 0 HFADMO C[C@@H](Cc1ccccc1Cl)[N@H+]1CCCn2cnc(COCC(=O)N(C)C)c2C1 ZINC001170273998 1077925898 /nfs/dbraw/zinc/92/58/98/1077925898.db2.gz OZALASDBEYLSRB-INIZCTEOSA-N 1 1 404.942 2.978 20 0 HFADMO C[C@@H](Cc1ccccc1Cl)[N@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)N2CCOCC2)C1 ZINC001170273211 1077925913 /nfs/dbraw/zinc/92/59/13/1077925913.db2.gz KKUYHQRYDWIQBG-SFFNPBHPSA-N 1 1 406.954 2.857 20 0 HFADMO Cn1c(=O)c2ccc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)cc2[nH]c1=S ZINC000746874439 1077928147 /nfs/dbraw/zinc/92/81/47/1077928147.db2.gz MDQDMVNVPJJYMK-UHFFFAOYSA-N 1 1 400.548 2.749 20 0 HFADMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000790051340 1077931179 /nfs/dbraw/zinc/93/11/79/1077931179.db2.gz FKLAQVUWZMYPMN-DENIHFKCSA-N 1 1 414.594 2.524 20 0 HFADMO O=C(CC[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1)N[C@@H]1CCCc2ccccc21 ZINC001170280115 1077935808 /nfs/dbraw/zinc/93/58/08/1077935808.db2.gz AICAIZMGBUQDJA-ZHALLVOQSA-N 1 1 423.479 2.913 20 0 HFADMO CCOCc1ccccc1CNC(=O)C[N@@H+](C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC001170358131 1077949748 /nfs/dbraw/zinc/94/97/48/1077949748.db2.gz MRZRTLMFFOZKLN-UHFFFAOYSA-N 1 1 405.539 2.827 20 0 HFADMO Cc1ccc(CCC2CCN(C(=O)CN3C[C@@H](C)[N@@H+](CCO)[C@@H](C)C3)CC2)cc1 ZINC001170351836 1077956322 /nfs/dbraw/zinc/95/63/22/1077956322.db2.gz OCWVHCQKEZVLQP-OYRHEFFESA-N 1 1 401.595 2.553 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000790122930 1077958632 /nfs/dbraw/zinc/95/86/32/1077958632.db2.gz VRFYHSMOPYBENK-IBGZPJMESA-N 1 1 419.566 2.864 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000790122930 1077958633 /nfs/dbraw/zinc/95/86/33/1077958633.db2.gz VRFYHSMOPYBENK-IBGZPJMESA-N 1 1 419.566 2.864 20 0 HFADMO CCOC(=O)N1[C@H](C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC[C@H]1c1ccc(C)o1 ZINC000790126398 1077959850 /nfs/dbraw/zinc/95/98/50/1077959850.db2.gz ZWMOYMFJUBDENU-ROUUACIJSA-N 1 1 421.538 2.819 20 0 HFADMO CCOC(=O)N1[C@H](C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC[C@H]1c1ccc(C)o1 ZINC000790126398 1077959852 /nfs/dbraw/zinc/95/98/52/1077959852.db2.gz ZWMOYMFJUBDENU-ROUUACIJSA-N 1 1 421.538 2.819 20 0 HFADMO CCn1nc(C)c(C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)c1Cl ZINC000790160316 1077962640 /nfs/dbraw/zinc/96/26/40/1077962640.db2.gz ACHUFSAAFBOIBC-UHFFFAOYSA-N 1 1 403.874 2.777 20 0 HFADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)CC3CCC4(CC3)OCCO4)n2)c1C ZINC000790165651 1077964123 /nfs/dbraw/zinc/96/41/23/1077964123.db2.gz YRNUEZUPQFRXBD-UHFFFAOYSA-N 1 1 415.494 2.609 20 0 HFADMO COc1cc(C)c([C@H](C)NC(=O)C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1OC ZINC001170410921 1077966333 /nfs/dbraw/zinc/96/63/33/1077966333.db2.gz IOEOJKXGMOYQAG-DLBZAZTESA-N 1 1 419.566 2.803 20 0 HFADMO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000790187449 1077966834 /nfs/dbraw/zinc/96/68/34/1077966834.db2.gz BCTCQDDGPBZFCG-DENIHFKCSA-N 1 1 411.550 2.633 20 0 HFADMO COc1cccc(CN(CC[NH+](C)C)C(=O)CCS(=O)(=O)c2ccc(F)cc2)c1 ZINC000792738107 1077980997 /nfs/dbraw/zinc/98/09/97/1077980997.db2.gz AFKZZBQCBDFWGI-UHFFFAOYSA-N 1 1 422.522 2.589 20 0 HFADMO CN(C)S(=O)(=O)c1cccc(NC(=S)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000772819890 1077988242 /nfs/dbraw/zinc/98/82/42/1077988242.db2.gz SQMVMUTYRIYQRG-HNAYVOBHSA-N 1 1 422.620 2.582 20 0 HFADMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+]([C@@H]2CCN(C3CCOCC3)C2=O)[C@@H]2CCCC[C@H]12 ZINC000790315728 1077995227 /nfs/dbraw/zinc/99/52/27/1077995227.db2.gz XXVSASDJHWJUKC-QMPCXHTRSA-N 1 1 419.610 2.950 20 0 HFADMO CN(Cc1ccc(F)cc1Br)C(=S)NCCC[NH+]1CCOCC1 ZINC000790346872 1078000426 /nfs/dbraw/zinc/00/04/26/1078000426.db2.gz RSCLSYFDYOPBJI-UHFFFAOYSA-N 1 1 404.349 2.617 20 0 HFADMO Cn1c2ccc(C[N@@H+](C)CCN3CCN(C(=O)OC(C)(C)C)CC3)cc2sc1=O ZINC000792810873 1078001526 /nfs/dbraw/zinc/00/15/26/1078001526.db2.gz CAINFIXORQWRSD-UHFFFAOYSA-N 1 1 420.579 2.585 20 0 HFADMO C[C@@H](CNC(=O)N(CCO)Cc1cccnc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000792865881 1078011581 /nfs/dbraw/zinc/01/15/81/1078011581.db2.gz ZOPMSOGNYDIIRN-AWEZNQCLSA-N 1 1 408.955 2.747 20 0 HFADMO C[C@@H](CNC(=O)N(CCO)Cc1cccnc1Cl)[N@H+]1CCc2sccc2C1 ZINC000792865881 1078011586 /nfs/dbraw/zinc/01/15/86/1078011586.db2.gz ZOPMSOGNYDIIRN-AWEZNQCLSA-N 1 1 408.955 2.747 20 0 HFADMO O=C(NC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1)OCc1ccccc1 ZINC000792852670 1078014792 /nfs/dbraw/zinc/01/47/92/1078014792.db2.gz CHHBOUOEUWSLKQ-ACRUOGEOSA-N 1 1 414.550 2.961 20 0 HFADMO Fc1cc(F)c(N2CCN(C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)nc1F ZINC000792880294 1078016293 /nfs/dbraw/zinc/01/62/93/1078016293.db2.gz CUYMUWGVQJAGCL-GOSISDBHSA-N 1 1 420.479 2.912 20 0 HFADMO O=C(c1ccc(F)cc1)[C@@H]1CCCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790369652 1078016511 /nfs/dbraw/zinc/01/65/11/1078016511.db2.gz QNSXZTKWOJCBTR-VGOFRKELSA-N 1 1 401.482 2.595 20 0 HFADMO Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@@H+]3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)n12 ZINC000792906823 1078020681 /nfs/dbraw/zinc/02/06/81/1078020681.db2.gz SKKKCXYOQXUBNS-KBXCAEBGSA-N 1 1 406.317 2.905 20 0 HFADMO Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@H+]3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)n12 ZINC000792906823 1078020686 /nfs/dbraw/zinc/02/06/86/1078020686.db2.gz SKKKCXYOQXUBNS-KBXCAEBGSA-N 1 1 406.317 2.905 20 0 HFADMO COCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1 ZINC000792908933 1078021600 /nfs/dbraw/zinc/02/16/00/1078021600.db2.gz NOZMGTSNOQHLKJ-AEFFLSMTSA-N 1 1 401.334 2.844 20 0 HFADMO COCCOc1cccc(CNC(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1 ZINC000792908933 1078021608 /nfs/dbraw/zinc/02/16/08/1078021608.db2.gz NOZMGTSNOQHLKJ-AEFFLSMTSA-N 1 1 401.334 2.844 20 0 HFADMO CN(C(=O)C[N@H+]1CC[C@@]2(C1)CCCOC2)c1ccccc1C(=O)NCc1ccco1 ZINC000792939207 1078021924 /nfs/dbraw/zinc/02/19/24/1078021924.db2.gz GOPHTJVJKBJKKR-HSZRJFAPSA-N 1 1 411.502 2.675 20 0 HFADMO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cn1 ZINC000790420175 1078022305 /nfs/dbraw/zinc/02/23/05/1078022305.db2.gz GSQDMQHAALHSKF-RBDMOPTHSA-N 1 1 411.550 2.773 20 0 HFADMO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000792943763 1078023119 /nfs/dbraw/zinc/02/31/19/1078023119.db2.gz UEPDLVSBKKALSL-GBXCKJPGSA-N 1 1 422.573 2.709 20 0 HFADMO CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC000792911584 1078023369 /nfs/dbraw/zinc/02/33/69/1078023369.db2.gz XYFDREJVUBETKY-APWZRJJASA-N 1 1 418.409 2.903 20 0 HFADMO CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC000792911584 1078023375 /nfs/dbraw/zinc/02/33/75/1078023375.db2.gz XYFDREJVUBETKY-APWZRJJASA-N 1 1 418.409 2.903 20 0 HFADMO COC(=O)C1=C(C[NH+]2CCC(c3c[nH]nc3C)CC2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000792926803 1078027339 /nfs/dbraw/zinc/02/73/39/1078027339.db2.gz OUDVIAUFBCSRJM-OAQYLSRUSA-N 1 1 423.517 2.721 20 0 HFADMO O=C(Nc1ccc(N2CCOC2=O)cc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000747094540 1078036316 /nfs/dbraw/zinc/03/63/16/1078036316.db2.gz DCPJXADYMWSTAB-GHTZIAJQSA-N 1 1 424.501 2.648 20 0 HFADMO Cc1ccc2c(c1)CCN(CN1C(=O)N[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C1=O)C2 ZINC000790453481 1078036411 /nfs/dbraw/zinc/03/64/11/1078036411.db2.gz XMZNUQWSHVVGPK-VWLOTQADSA-N 1 1 418.541 2.897 20 0 HFADMO COc1ccc(OC)c([C@H](O)C[N@@H+](Cc2ccccc2)C[C@@]2(O)CCO[C@H]2C)c1 ZINC000790457026 1078037205 /nfs/dbraw/zinc/03/72/05/1078037205.db2.gz DWSHZTFZVLBOHO-LXBDKUERSA-N 1 1 401.503 2.779 20 0 HFADMO COc1ccc(OC)c([C@H](O)C[N@@H+](Cc2ccccc2)C[C@]2(O)CCO[C@@H]2C)c1 ZINC000790457028 1078037242 /nfs/dbraw/zinc/03/72/42/1078037242.db2.gz DWSHZTFZVLBOHO-ODOSVJCGSA-N 1 1 401.503 2.779 20 0 HFADMO CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2nnnn2C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000790458240 1078037418 /nfs/dbraw/zinc/03/74/18/1078037418.db2.gz HBHPZMMOLRRIQW-IGNZVWTISA-N 1 1 419.480 2.870 20 0 HFADMO CC(C)[N@H+]1CC[C@H](NC(=O)N[C@@H](C)c2nnnn2C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000790458240 1078037422 /nfs/dbraw/zinc/03/74/22/1078037422.db2.gz HBHPZMMOLRRIQW-IGNZVWTISA-N 1 1 419.480 2.870 20 0 HFADMO Cc1nn(C)c(CNc2ccc(OCC[NH+]3CCN(C)CC3)cc2)c1Br ZINC000790470566 1078038953 /nfs/dbraw/zinc/03/89/53/1078038953.db2.gz BETVFTGHAHSNEF-UHFFFAOYSA-N 1 1 422.371 2.729 20 0 HFADMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N(CCO)Cc1cccnc1Cl ZINC000792981830 1078040326 /nfs/dbraw/zinc/04/03/26/1078040326.db2.gz ZAFGTSROFWZERB-LJQANCHMSA-N 1 1 416.953 2.804 20 0 HFADMO COCC[N@@H+](CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O)[C@H]1CC[C@@H](C)C1 ZINC000790480150 1078040754 /nfs/dbraw/zinc/04/07/54/1078040754.db2.gz QJZPCWIBKRABTJ-VKGHLNKFSA-N 1 1 417.550 2.841 20 0 HFADMO C[C@H](NC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1nnnn1C1CC1 ZINC000790479673 1078041002 /nfs/dbraw/zinc/04/10/02/1078041002.db2.gz QGPYMFRDULLONS-SMMRIJLZSA-N 1 1 409.538 2.669 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@@H](O)C[N@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000792988082 1078041926 /nfs/dbraw/zinc/04/19/26/1078041926.db2.gz WPEOYJXNSSWJGH-IIBYNOLFSA-N 1 1 413.559 2.738 20 0 HFADMO Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc1Br ZINC000793019831 1078042491 /nfs/dbraw/zinc/04/24/91/1078042491.db2.gz VRFDTTJEBNFRAQ-ZIAGYGMSSA-N 1 1 423.355 2.860 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000790491672 1078043066 /nfs/dbraw/zinc/04/30/66/1078043066.db2.gz WZZATFSIAZXYOG-KRWDZBQOSA-N 1 1 407.946 2.518 20 0 HFADMO CN(CC(F)(F)Br)C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000806229394 1079510616 /nfs/dbraw/zinc/51/06/16/1079510616.db2.gz DRAWBAMKEPVRMS-CYBMUJFWSA-N 1 1 419.270 2.588 20 0 HFADMO CN(CC(F)(F)Br)C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000806229394 1079510621 /nfs/dbraw/zinc/51/06/21/1079510621.db2.gz DRAWBAMKEPVRMS-CYBMUJFWSA-N 1 1 419.270 2.588 20 0 HFADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000806254050 1079522250 /nfs/dbraw/zinc/52/22/50/1079522250.db2.gz YLSTUEXFDXOKIQ-NHCUHLMSSA-N 1 1 401.551 2.651 20 0 HFADMO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc3ccccc3)C1)CCC2 ZINC000806299384 1079552344 /nfs/dbraw/zinc/55/23/44/1079552344.db2.gz XZDASHJSVGLVKL-SFTDATJTSA-N 1 1 423.561 2.691 20 0 HFADMO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@@H]2CCCc3cn(C(C)C)nc32)CC1 ZINC000806303648 1079556359 /nfs/dbraw/zinc/55/63/59/1079556359.db2.gz PXCRDEQCYYWHMJ-HXUWFJFHSA-N 1 1 417.598 2.928 20 0 HFADMO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]1C ZINC001130586731 1079561178 /nfs/dbraw/zinc/56/11/78/1079561178.db2.gz STBOERPVYBUBEP-KURKYZTESA-N 1 1 407.580 2.723 20 0 HFADMO COC[C@@]1(CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)CCCN1C(=O)OC(C)(C)C ZINC000806295420 1079584383 /nfs/dbraw/zinc/58/43/83/1079584383.db2.gz POPDWXSZSKSIAY-KKSFZXQISA-N 1 1 424.542 2.598 20 0 HFADMO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)CCC2 ZINC000806297473 1079587081 /nfs/dbraw/zinc/58/70/81/1079587081.db2.gz OCPTXHOARVWBCD-PMACEKPBSA-N 1 1 415.582 2.871 20 0 HFADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000747324675 1079593046 /nfs/dbraw/zinc/59/30/46/1079593046.db2.gz CXMDKHVGQSFAGC-UXHICEINSA-N 1 1 403.486 2.527 20 0 HFADMO Cc1ccc2nc(COc3cccc(C(=O)NC[C@@H]4C[N@H+]5CCC[C@@H]5CO4)c3)cn2c1 ZINC000747326639 1079631369 /nfs/dbraw/zinc/63/13/69/1079631369.db2.gz TYQHMUDCIIJBAG-IFMALSPDSA-N 1 1 420.513 2.815 20 0 HFADMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000806363171 1079649516 /nfs/dbraw/zinc/64/95/16/1079649516.db2.gz UFFYZLAANDRHHQ-UHFFFAOYSA-N 1 1 406.530 2.948 20 0 HFADMO COCC1(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000806427684 1079673921 /nfs/dbraw/zinc/67/39/21/1079673921.db2.gz NDQJJVSGITZJGL-ZWKOTPCHSA-N 1 1 424.586 2.576 20 0 HFADMO C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000806429228 1079673963 /nfs/dbraw/zinc/67/39/63/1079673963.db2.gz RNAPLFZNZYZCET-QWFCFKBJSA-N 1 1 406.571 2.903 20 0 HFADMO C[C@H](CNC(=O)N1CCCC[C@@H]1COC(=O)N(C)C)[N@H+]1CCc2ccccc2C1 ZINC000806434954 1079681445 /nfs/dbraw/zinc/68/14/45/1079681445.db2.gz ZDEMMFXZRLWCPN-YLJYHZDGSA-N 1 1 402.539 2.696 20 0 HFADMO CCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000806434512 1079682121 /nfs/dbraw/zinc/68/21/21/1079682121.db2.gz NDMXXWFUDPSSEF-FXAWDEMLSA-N 1 1 402.539 2.743 20 0 HFADMO C[C@H](CNC(=O)N1CCCC[C@@H]1COC(=O)N(C)C)[N@@H+]1CCc2sccc2C1 ZINC000806436072 1079682625 /nfs/dbraw/zinc/68/26/25/1079682625.db2.gz BILIBAHWGTTYCY-NVXWUHKLSA-N 1 1 408.568 2.757 20 0 HFADMO C[C@H](CNC(=O)N1CCCC[C@@H]1COC(=O)N(C)C)[N@H+]1CCc2sccc2C1 ZINC000806436072 1079682629 /nfs/dbraw/zinc/68/26/29/1079682629.db2.gz BILIBAHWGTTYCY-NVXWUHKLSA-N 1 1 408.568 2.757 20 0 HFADMO C[C@]1(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)CC(c2ccccc2Cl)=NO1 ZINC000806434580 1079682656 /nfs/dbraw/zinc/68/26/56/1079682656.db2.gz OXMIXIMPINRTEN-HRAATJIYSA-N 1 1 405.926 2.936 20 0 HFADMO Cc1nc2cc(NC(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC(=O)N(C)C)ccc2s1 ZINC000806403154 1079691295 /nfs/dbraw/zinc/69/12/95/1079691295.db2.gz VWSXBVSWJASFLX-MQVJKMGUSA-N 1 1 401.536 2.810 20 0 HFADMO O=C(c1cnn(-c2cc[nH+]cc2)c1)N1CCN(c2ccc(Br)cc2)CC1 ZINC001130633665 1079719579 /nfs/dbraw/zinc/71/95/79/1079719579.db2.gz WVKFKRKRGCXLDM-UHFFFAOYSA-N 1 1 412.291 2.992 20 0 HFADMO COCC[N@@H+]1CCN(C(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)C(C)(C)C1 ZINC001130635479 1079724616 /nfs/dbraw/zinc/72/46/16/1079724616.db2.gz BRLPSYUADISHBO-UHFFFAOYSA-N 1 1 421.497 2.670 20 0 HFADMO COCC[N@H+]1CCN(C(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)C(C)(C)C1 ZINC001130635479 1079724624 /nfs/dbraw/zinc/72/46/24/1079724624.db2.gz BRLPSYUADISHBO-UHFFFAOYSA-N 1 1 421.497 2.670 20 0 HFADMO COCC[N@H+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)C(C)(C)C1 ZINC001130636065 1079726697 /nfs/dbraw/zinc/72/66/97/1079726697.db2.gz WBMMTDSKJWHPRF-HXUWFJFHSA-N 1 1 415.578 2.725 20 0 HFADMO Cc1noc(C)c1CCCNC(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000806480295 1079765148 /nfs/dbraw/zinc/76/51/48/1079765148.db2.gz HDPBLOOHXDDPOW-VQIMIIECSA-N 1 1 418.563 2.601 20 0 HFADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCc1ccc(Cl)nc1 ZINC000806596734 1079840137 /nfs/dbraw/zinc/84/01/37/1079840137.db2.gz BQTNPQUUNKZKRK-QGZVFWFLSA-N 1 1 414.937 2.517 20 0 HFADMO O=C(NCCO[C@@H]1CC1(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001130690434 1079852460 /nfs/dbraw/zinc/85/24/60/1079852460.db2.gz PXFXFZYSAMDWIK-BRWVUGGUSA-N 1 1 407.486 2.899 20 0 HFADMO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000806619686 1079854821 /nfs/dbraw/zinc/85/48/21/1079854821.db2.gz JRAQWGJIIBQDKI-UXHICEINSA-N 1 1 402.539 2.819 20 0 HFADMO Cc1cc(I)cc(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000806684176 1079912375 /nfs/dbraw/zinc/91/23/75/1079912375.db2.gz RPVCOTYZZDVPQB-HUUCEWRRSA-N 1 1 415.275 2.584 20 0 HFADMO COc1ccc(CNC(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000806737553 1079963561 /nfs/dbraw/zinc/96/35/61/1079963561.db2.gz QDOGAPDCMSFBRH-XMMPIXPASA-N 1 1 409.530 2.648 20 0 HFADMO Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001130732685 1079969832 /nfs/dbraw/zinc/96/98/32/1079969832.db2.gz AVLQKTPYDYVSPR-PDIWNELESA-N 1 1 410.562 2.717 20 0 HFADMO CC(=O)Nc1ccc(CC(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001130733061 1079971478 /nfs/dbraw/zinc/97/14/78/1079971478.db2.gz IIRFNBQUPOGJMM-DHIUTWEWSA-N 1 1 407.514 2.689 20 0 HFADMO CN1CC[NH+](CCCOc2ccc(NC(=O)c3cccnc3N3CCCC3)cc2)CC1 ZINC001130741650 1080004699 /nfs/dbraw/zinc/00/46/99/1080004699.db2.gz AOQQPYMATXCMAU-UHFFFAOYSA-N 1 1 423.561 2.950 20 0 HFADMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@]3(C)CC(c4ccccc4Cl)=NO3)C2)CC1 ZINC000806844814 1080029852 /nfs/dbraw/zinc/02/98/52/1080029852.db2.gz VJCUWKCJYPNZJE-QVKFZJNVSA-N 1 1 404.942 2.508 20 0 HFADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@]3(C)CC(c4ccccc4Cl)=NO3)C2)CC1 ZINC000806844814 1080029862 /nfs/dbraw/zinc/02/98/62/1080029862.db2.gz VJCUWKCJYPNZJE-QVKFZJNVSA-N 1 1 404.942 2.508 20 0 HFADMO COc1ccc2cc(NC(=O)C(=O)N3CCC[N@@H+](C[C@H]4CCCO4)CC3)ccc2c1 ZINC000806849881 1080035919 /nfs/dbraw/zinc/03/59/19/1080035919.db2.gz JDVULHRSLCLADV-OAQYLSRUSA-N 1 1 411.502 2.500 20 0 HFADMO CC[C@H](CNC(=O)C(=O)Nc1cccc(C(C)(C)O)c1)[N@H+]1CCc2ccccc2C1 ZINC000806835169 1080048549 /nfs/dbraw/zinc/04/85/49/1080048549.db2.gz ANFFIEHHJNRWBZ-OAQYLSRUSA-N 1 1 409.530 2.806 20 0 HFADMO COc1ccc2cc(NC(=O)C(=O)NCC[N@@H+]3CCc4ccccc4C3)ccc2c1 ZINC000806836752 1080048672 /nfs/dbraw/zinc/04/86/72/1080048672.db2.gz NYYNGMIVBCVZBX-UHFFFAOYSA-N 1 1 403.482 2.961 20 0 HFADMO COc1ccc2cc(NC(=O)C(=O)NCC[N@H+]3CCc4ccccc4C3)ccc2c1 ZINC000806836752 1080048679 /nfs/dbraw/zinc/04/86/79/1080048679.db2.gz NYYNGMIVBCVZBX-UHFFFAOYSA-N 1 1 403.482 2.961 20 0 HFADMO CC(C)(O)c1cccc(NC(=O)C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1 ZINC000806840194 1080053016 /nfs/dbraw/zinc/05/30/16/1080053016.db2.gz OKGVEFUTAWIKCQ-UHFFFAOYSA-N 1 1 409.530 2.806 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2nc(-c3ccco3)cs2)cn1 ZINC000806857045 1080061667 /nfs/dbraw/zinc/06/16/67/1080061667.db2.gz PLWMRFKBPLUERV-UHFFFAOYSA-N 1 1 408.443 2.547 20 0 HFADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3nc(Br)sc3C3CC3)CC2)C1 ZINC000806867073 1080068292 /nfs/dbraw/zinc/06/82/92/1080068292.db2.gz NWDOHRBWRJOHMO-ZDUSSCGKSA-N 1 1 413.385 2.635 20 0 HFADMO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000806917378 1080087482 /nfs/dbraw/zinc/08/74/82/1080087482.db2.gz RMOBYBUDFQQNEV-IHPCNDPISA-N 1 1 402.539 2.817 20 0 HFADMO CC(C)CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)n[nH]2)O1 ZINC001130782789 1080120158 /nfs/dbraw/zinc/12/01/58/1080120158.db2.gz DFINUSKESILTDW-ICBNADEASA-N 1 1 401.555 2.879 20 0 HFADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806935360 1080142975 /nfs/dbraw/zinc/14/29/75/1080142975.db2.gz XIJGVYRBHDFNQJ-UWJYYQICSA-N 1 1 409.530 2.879 20 0 HFADMO CC(=O)c1cc(NC(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000807072248 1080255735 /nfs/dbraw/zinc/25/57/35/1080255735.db2.gz KUTMMLWQADTEIL-QHCPKHFHSA-N 1 1 411.477 2.995 20 0 HFADMO C[C@H](C(=O)N1C[C@@H]([NH+](C)C)CCc2ccccc21)S(=O)(=O)c1ccc(F)cc1 ZINC001130839746 1080265338 /nfs/dbraw/zinc/26/53/38/1080265338.db2.gz DUHZMFMJQORYKC-QAPCUYQASA-N 1 1 404.507 2.898 20 0 HFADMO O=C(N[C@@H](c1ccccc1)C1CCOCC1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000807091957 1080270689 /nfs/dbraw/zinc/27/06/89/1080270689.db2.gz MTGQFERXYJTCCK-QFIPXVFZSA-N 1 1 413.562 2.747 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000807092163 1080272271 /nfs/dbraw/zinc/27/22/71/1080272271.db2.gz SVKZDPGOXXLNPU-VQTJNVASSA-N 1 1 401.551 2.507 20 0 HFADMO COC(=O)N1CCC([C@H](C)NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000807147575 1080302938 /nfs/dbraw/zinc/30/29/38/1080302938.db2.gz GEBYFLODHJTACC-ZWOKBUDYSA-N 1 1 402.539 2.816 20 0 HFADMO CC(C)[NH+]1CCN(C2CCN(C(=O)[C@H](C)C3CN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC000807170861 1080325174 /nfs/dbraw/zinc/32/51/74/1080325174.db2.gz MKGCWVDTLJPSEO-GOSISDBHSA-N 1 1 422.614 2.506 20 0 HFADMO CC1(C)CN(C(=O)N[C@@H]2CCOc3c(Cl)c(Cl)ccc32)CC[N@H+]1CCO ZINC000807174473 1080329133 /nfs/dbraw/zinc/32/91/33/1080329133.db2.gz LNOAQYFKMTVSLX-CQSZACIVSA-N 1 1 402.322 2.915 20 0 HFADMO COc1cccc([C@@H]2[C@H](NC(=O)c3cnc(C4OCCO4)s3)CC[N@@H+]2C2CC2)c1 ZINC000807206598 1080356522 /nfs/dbraw/zinc/35/65/22/1080356522.db2.gz WUTIKRIGLMDRGE-SJLPKXTDSA-N 1 1 415.515 2.905 20 0 HFADMO COc1cccc([C@@H]2[C@H](NC(=O)c3cnc(C4OCCO4)s3)CC[N@H+]2C2CC2)c1 ZINC000807206598 1080356529 /nfs/dbraw/zinc/35/65/29/1080356529.db2.gz WUTIKRIGLMDRGE-SJLPKXTDSA-N 1 1 415.515 2.905 20 0 HFADMO COc1ccc(C2=NO[C@@H](CNC(=O)N3CC[N@H+](C)[C@@H](Cc4ccccc4)C3)C2)cc1 ZINC000807214250 1080367402 /nfs/dbraw/zinc/36/74/02/1080367402.db2.gz LSLCRVDIPFWQSG-RBBKRZOGSA-N 1 1 422.529 2.757 20 0 HFADMO COc1ccc(C2=NO[C@@H](CNC(=O)N3CC[N@@H+](C)[C@@H](Cc4ccccc4)C3)C2)cc1 ZINC000807214250 1080367406 /nfs/dbraw/zinc/36/74/06/1080367406.db2.gz LSLCRVDIPFWQSG-RBBKRZOGSA-N 1 1 422.529 2.757 20 0 HFADMO Cc1cnc(C(C)(C)NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)s1 ZINC000807276466 1080431815 /nfs/dbraw/zinc/43/18/15/1080431815.db2.gz WPTDPUYZJKTVJK-UHFFFAOYSA-N 1 1 415.563 2.583 20 0 HFADMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001130895630 1080432635 /nfs/dbraw/zinc/43/26/35/1080432635.db2.gz UADJQUNRIVEBRJ-CHWSQXEVSA-N 1 1 420.000 2.544 20 0 HFADMO O=C(NCCC1N=NC(=S)N1C1CC1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000747386790 1080460406 /nfs/dbraw/zinc/46/04/06/1080460406.db2.gz QMOQDGJGNYYLLC-QGZVFWFLSA-N 1 1 403.527 2.754 20 0 HFADMO O=C(NCCC1N=NC(=S)N1C1CC1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000747386790 1080460411 /nfs/dbraw/zinc/46/04/11/1080460411.db2.gz QMOQDGJGNYYLLC-QGZVFWFLSA-N 1 1 403.527 2.754 20 0 HFADMO CCOC(=O)C1C[N@@H+](Cc2ccccc2)CCC1=Nc1ncc(C(=O)OC)nc1C ZINC001170522031 1080494895 /nfs/dbraw/zinc/49/48/95/1080494895.db2.gz UQZPGEFSYYCNJE-UHFFFAOYSA-N 1 1 410.474 2.707 20 0 HFADMO CC[C@@H](NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1)c1ccc(OC)c(OC)c1 ZINC000807312291 1080505335 /nfs/dbraw/zinc/50/53/35/1080505335.db2.gz LZBSSTHOHGRIRE-QGZVFWFLSA-N 1 1 423.473 2.799 20 0 HFADMO CON(CC(C)(C)C)C(=O)C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000807359320 1080520067 /nfs/dbraw/zinc/52/00/67/1080520067.db2.gz HOGKFQDLRSWDFF-SFHVURJKSA-N 1 1 413.522 2.705 20 0 HFADMO CON(CC(C)(C)C)C(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000807359318 1080520098 /nfs/dbraw/zinc/52/00/98/1080520098.db2.gz HOGKFQDLRSWDFF-GOSISDBHSA-N 1 1 413.522 2.705 20 0 HFADMO CCOC(=O)C1=C(Nc2ccc(C(=O)N(C)OC)cn2)CC[N@@H+](Cc2ccccc2)C1 ZINC001170522310 1080539367 /nfs/dbraw/zinc/53/93/67/1080539367.db2.gz HUQGOIWSFFBBMI-UHFFFAOYSA-N 1 1 424.501 2.850 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000805284792 1080672543 /nfs/dbraw/zinc/67/25/43/1080672543.db2.gz YVZFSTROHRCWMU-LEWJYISDSA-N 1 1 417.550 2.747 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000805284792 1080672546 /nfs/dbraw/zinc/67/25/46/1080672546.db2.gz YVZFSTROHRCWMU-LEWJYISDSA-N 1 1 417.550 2.747 20 0 HFADMO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000805284793 1080672613 /nfs/dbraw/zinc/67/26/13/1080672613.db2.gz YVZFSTROHRCWMU-NHCUHLMSSA-N 1 1 417.550 2.747 20 0 HFADMO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000805284793 1080672617 /nfs/dbraw/zinc/67/26/17/1080672617.db2.gz YVZFSTROHRCWMU-NHCUHLMSSA-N 1 1 417.550 2.747 20 0 HFADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NCC[C@@](C)(O)c2ccccc2)C1 ZINC000807496178 1080689442 /nfs/dbraw/zinc/68/94/42/1080689442.db2.gz JADMDELLSGGBCR-YOSAUDMPSA-N 1 1 415.578 2.513 20 0 HFADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)Nc3ccc(C4(O)COC4)cc3)cc2)C1 ZINC000807532112 1080744991 /nfs/dbraw/zinc/74/49/91/1080744991.db2.gz WHWHDUKRHBDICX-QGZVFWFLSA-N 1 1 423.513 2.714 20 0 HFADMO C[C@@H]1[C@H](NC(=O)C(=O)Nc2cccc(Br)n2)CC[N@H+]1Cc1ccccc1 ZINC000807543217 1080757997 /nfs/dbraw/zinc/75/79/97/1080757997.db2.gz KQWYEAPTFCASGE-UKRRQHHQSA-N 1 1 417.307 2.562 20 0 HFADMO COC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000807543260 1080758023 /nfs/dbraw/zinc/75/80/23/1080758023.db2.gz DMERBEGWZHKEIH-DNVCBOLYSA-N 1 1 410.474 2.583 20 0 HFADMO C[C@@H]1[C@@H](NC(=O)C(=O)Nc2cccc(Br)n2)CC[N@H+]1Cc1ccccc1 ZINC000807543216 1080758220 /nfs/dbraw/zinc/75/82/20/1080758220.db2.gz KQWYEAPTFCASGE-HIFRSBDPSA-N 1 1 417.307 2.562 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000807547094 1080763610 /nfs/dbraw/zinc/76/36/10/1080763610.db2.gz XBNNWQBTNHFTAA-NQERJWCQSA-N 1 1 411.933 2.560 20 0 HFADMO COC[C@]1(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCN1C(=O)OC(C)(C)C ZINC000807550593 1080767224 /nfs/dbraw/zinc/76/72/24/1080767224.db2.gz IHJIWWUPEFBBMS-CSODHUTKSA-N 1 1 412.575 2.527 20 0 HFADMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCN2C(=S)N=NC2c2ccc(OC)cc2)C[C@H]1C ZINC000747400984 1080778679 /nfs/dbraw/zinc/77/86/79/1080778679.db2.gz BAQDDVVHMANWSX-NVXWUHKLSA-N 1 1 417.579 2.964 20 0 HFADMO [NH3+]C1CCN(CCc2cn(-c3ccc(=O)n(CC(F)(F)F)n3)c3ccccc23)CC1 ZINC001170528437 1080784714 /nfs/dbraw/zinc/78/47/14/1080784714.db2.gz MGSIJTXECQELEN-UHFFFAOYSA-N 1 1 419.451 2.715 20 0 HFADMO CCN(CCc1ccccn1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000807582894 1080795098 /nfs/dbraw/zinc/79/50/98/1080795098.db2.gz WIACLPMSTQSCRV-FXAWDEMLSA-N 1 1 414.575 2.733 20 0 HFADMO CCN(C(=O)C(=O)NCc1cc(C)cc(Cl)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000807557640 1080810354 /nfs/dbraw/zinc/81/03/54/1080810354.db2.gz FMIBEKKCBMKTDW-LJQANCHMSA-N 1 1 414.937 2.783 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000807561237 1080816148 /nfs/dbraw/zinc/81/61/48/1080816148.db2.gz YWWKSYNOGKAJIQ-DLBZAZTESA-N 1 1 414.937 2.781 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000807561237 1080816157 /nfs/dbraw/zinc/81/61/57/1080816157.db2.gz YWWKSYNOGKAJIQ-DLBZAZTESA-N 1 1 414.937 2.781 20 0 HFADMO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2csc(N(C(C)=O)C3CC3)n2)cc1OC ZINC001460872274 1126193445 /nfs/dbraw/zinc/19/34/45/1126193445.db2.gz VMNDYQZIUNTPPC-NRFANRHFSA-N 1 1 419.547 2.759 20 0 HFADMO O=S1(=O)CCc2nc(Cl)nc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c21 ZINC001164623389 719111324 /nfs/dbraw/zinc/11/13/24/719111324.db2.gz CQCAFFCISQLSHR-WBVHZDCISA-N 1 1 418.950 2.561 20 0 HFADMO O=S1(=O)CCc2nc(Cl)nc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c21 ZINC001164623389 719111335 /nfs/dbraw/zinc/11/13/35/719111335.db2.gz CQCAFFCISQLSHR-WBVHZDCISA-N 1 1 418.950 2.561 20 0 HFADMO COC(=O)c1ccc2c(c1)ncnc2N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001164646263 719308099 /nfs/dbraw/zinc/30/80/99/719308099.db2.gz DDRWMSPPDXKGPR-UHFFFAOYSA-N 1 1 408.506 2.818 20 0 HFADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N(C)C[C@@H](O)CO)c23)C1 ZINC001164667934 719366117 /nfs/dbraw/zinc/36/61/17/719366117.db2.gz LTLXDYLZJPGQOL-HUUCEWRRSA-N 1 1 404.580 2.591 20 0 HFADMO C[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3ccn4COCC[Si](C)(C)C)C[C@@H]21 ZINC001164671580 719412443 /nfs/dbraw/zinc/41/24/43/719412443.db2.gz QEQHRFBMCZIKMS-JKSUJKDBSA-N 1 1 424.021 2.916 20 0 HFADMO Cc1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)c2c1C ZINC001164666451 719441309 /nfs/dbraw/zinc/44/13/09/719441309.db2.gz CLSCISJIEJEFEJ-SJORKVTESA-N 1 1 401.580 2.813 20 0 HFADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1nc(Cl)cc(Cl)n1)CC2 ZINC001164685231 719702859 /nfs/dbraw/zinc/70/28/59/719702859.db2.gz SPOQPLVFMPMQKS-UHFFFAOYSA-N 1 1 408.280 2.509 20 0 HFADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C(N)=O)nc(C4CC4)n2)CC3)cs1 ZINC001164697280 719817359 /nfs/dbraw/zinc/81/73/59/719817359.db2.gz BBLMBHSEGBXURU-UHFFFAOYSA-N 1 1 412.563 2.853 20 0 HFADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)c2ccccc21 ZINC001164697277 719843503 /nfs/dbraw/zinc/84/35/03/719843503.db2.gz CGIWACMEJQNBGM-XOBRGWDASA-N 1 1 404.898 2.516 20 0 HFADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2sc(C)cc21 ZINC001164705286 719848779 /nfs/dbraw/zinc/84/87/79/719848779.db2.gz USMKKTRSKQOXIC-BFUOFWGJSA-N 1 1 424.954 2.886 20 0 HFADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2cc(Cl)ccc21 ZINC001164705206 719849408 /nfs/dbraw/zinc/84/94/08/719849408.db2.gz SVULJJVJXQIGGV-FOIQADDNSA-N 1 1 404.898 2.516 20 0 HFADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)nc2sc(C)c(C)c21 ZINC001164698457 719853153 /nfs/dbraw/zinc/85/31/53/719853153.db2.gz CJOPTCRUCJLKRC-IERDGZPVSA-N 1 1 418.563 2.849 20 0 HFADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nncc2cc(Cl)ccc21 ZINC001164700563 719856336 /nfs/dbraw/zinc/85/63/36/719856336.db2.gz IAKHRXSPARXOKP-UZLBHIALSA-N 1 1 404.898 2.516 20 0 HFADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2ccc(SC)cc21 ZINC001164705732 719877104 /nfs/dbraw/zinc/87/71/04/719877104.db2.gz OHISZFPFDTYXBN-YCRPNKLZSA-N 1 1 416.547 2.584 20 0 HFADMO COc1cnc2c(c1)ncnc2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164698349 719897003 /nfs/dbraw/zinc/89/70/03/719897003.db2.gz RSPRQXNUHYEBPV-UHFFFAOYSA-N 1 1 411.531 2.966 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H]2CCCO[C@@H]2[C@@H](NC(=O)c2cnccn2)C1 ZINC001164709998 720056789 /nfs/dbraw/zinc/05/67/89/720056789.db2.gz CVVGIYZUKHJBDM-FNHZYXHNSA-N 1 1 415.925 2.670 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@@H]2CCCO[C@@H]2[C@@H](NC(=O)c2cnccn2)C1 ZINC001164709998 720056798 /nfs/dbraw/zinc/05/67/98/720056798.db2.gz CVVGIYZUKHJBDM-FNHZYXHNSA-N 1 1 415.925 2.670 20 0 HFADMO CCOC(=O)c1cc2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)c2[nH]1 ZINC001164809059 720102253 /nfs/dbraw/zinc/10/22/53/720102253.db2.gz GNPGGEZWSISTAF-MBSDFSHPSA-N 1 1 412.534 2.924 20 0 HFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cnc3cccnc3n1)CC2 ZINC001164716281 720113747 /nfs/dbraw/zinc/11/37/47/720113747.db2.gz KFVPLRPSZAIMGP-IBGZPJMESA-N 1 1 404.518 2.927 20 0 HFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(NC(C)=O)n1)CC2 ZINC001164715502 720117398 /nfs/dbraw/zinc/11/73/98/720117398.db2.gz GNUWFYKRGMHDBB-FQEVSTJZSA-N 1 1 409.534 2.943 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3cnccc3cc1C(=O)OC)C2 ZINC001164816523 720126506 /nfs/dbraw/zinc/12/65/06/720126506.db2.gz ZUSMJNRBXWJVLP-MBSDFSHPSA-N 1 1 410.518 2.601 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)COc1cncc(Cl)n1)C2 ZINC001164816251 720173652 /nfs/dbraw/zinc/17/36/52/720173652.db2.gz KLQXVICYJXCRMN-QAPCUYQASA-N 1 1 416.900 2.782 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)COc1cncc(Cl)n1)C2 ZINC001164816249 720174290 /nfs/dbraw/zinc/17/42/90/720174290.db2.gz KLQXVICYJXCRMN-CRAIPNDOSA-N 1 1 416.900 2.782 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3c(OC)cc(OC)cc31)C2 ZINC001164811521 720200430 /nfs/dbraw/zinc/20/04/30/720200430.db2.gz JGFKSKCVCJNWNK-HXOBKFHXSA-N 1 1 412.534 2.832 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)Oc1cnc(Cl)cn1)C2 ZINC001164815169 720202376 /nfs/dbraw/zinc/20/23/76/720202376.db2.gz WRMAGLFYJKPHGJ-WMLDXEAASA-N 1 1 402.873 2.739 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4sccc43)C2)C1 ZINC001164718938 720237755 /nfs/dbraw/zinc/23/77/55/720237755.db2.gz IHNSFSIKPFGUQQ-IBGZPJMESA-N 1 1 408.955 2.615 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4sccc43)C2)C1 ZINC001164718938 720237764 /nfs/dbraw/zinc/23/77/64/720237764.db2.gz IHNSFSIKPFGUQQ-IBGZPJMESA-N 1 1 408.955 2.615 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C(C)(C)C)nc(C(C)C)n3)C2)C1 ZINC001164720733 720296196 /nfs/dbraw/zinc/29/61/96/720296196.db2.gz CQSHQZDWSQKLME-QHCPKHFHSA-N 1 1 417.598 2.562 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C(C)(C)C)nc(C(C)C)n3)C2)C1 ZINC001164720733 720296202 /nfs/dbraw/zinc/29/62/02/720296202.db2.gz CQSHQZDWSQKLME-QHCPKHFHSA-N 1 1 417.598 2.562 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc4cccc(C)c43)C2)C1 ZINC001164721960 720304284 /nfs/dbraw/zinc/30/42/84/720304284.db2.gz JGBDMRRGJHAXRP-JOCHJYFZSA-N 1 1 416.953 2.861 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc4cccc(C)c43)C2)C1 ZINC001164721960 720304287 /nfs/dbraw/zinc/30/42/87/720304287.db2.gz JGBDMRRGJHAXRP-JOCHJYFZSA-N 1 1 416.953 2.861 20 0 HFADMO c1ccc2nc(N3CCOCC3)c(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc2c1 ZINC001164721763 720379606 /nfs/dbraw/zinc/37/96/06/720379606.db2.gz AYOWSRYMMGXTMA-YADHBBJMSA-N 1 1 416.529 2.715 20 0 HFADMO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726434 720444721 /nfs/dbraw/zinc/44/47/21/720444721.db2.gz CDWHGTKFRJMZLW-CHWSQXEVSA-N 1 1 405.840 2.751 20 0 HFADMO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726434 720444722 /nfs/dbraw/zinc/44/47/22/720444722.db2.gz CDWHGTKFRJMZLW-CHWSQXEVSA-N 1 1 405.840 2.751 20 0 HFADMO C[N@@H+](Cc1ccc(N2CC[C@H]3[C@@H](CC(=O)N4CCCCC4)OC[C@@H]3C2)nc1)C1CC1 ZINC001164836104 720502332 /nfs/dbraw/zinc/50/23/32/720502332.db2.gz MOPAABMQBZAFMU-KSEOMHKRSA-N 1 1 412.578 2.920 20 0 HFADMO Cc1cc(N2CCCC2)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164840666 720505289 /nfs/dbraw/zinc/50/52/89/720505289.db2.gz XESCOAQDZAFRQD-QHAWAJNXSA-N 1 1 409.582 2.960 20 0 HFADMO Cc1cc(N2CCCC2)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164840666 720505295 /nfs/dbraw/zinc/50/52/95/720505295.db2.gz XESCOAQDZAFRQD-QHAWAJNXSA-N 1 1 409.582 2.960 20 0 HFADMO CCOC(=O)c1cnc(C)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164839979 720524739 /nfs/dbraw/zinc/52/47/39/720524739.db2.gz VCHYUDMTEUQJRB-NLWGTHIKSA-N 1 1 412.538 2.536 20 0 HFADMO COC(=O)c1c[nH]c2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)ccc12 ZINC001164840068 720525474 /nfs/dbraw/zinc/52/54/74/720525474.db2.gz WGTVKXOQXUZDEA-MBOZVWFJSA-N 1 1 422.533 2.924 20 0 HFADMO COC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)ncc1F ZINC001164833753 720526558 /nfs/dbraw/zinc/52/65/58/720526558.db2.gz DQJRANIAQQNKPN-GPMSIDNRSA-N 1 1 401.486 2.582 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3[nH+][n-]c(Cl)c4ncnc3-4)CC[C@@H]21 ZINC001164836824 720565910 /nfs/dbraw/zinc/56/59/10/720565910.db2.gz LGEBYMWCSMCGBA-KKUMJFAQSA-N 1 1 400.918 2.581 20 0 HFADMO COc1cnc2c(c1)ncnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164841633 720585098 /nfs/dbraw/zinc/58/50/98/720585098.db2.gz TZTGJRQRSIKDBY-FUHIMQAGSA-N 1 1 407.522 2.608 20 0 HFADMO CSc1nc2sccc2c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740844 720630642 /nfs/dbraw/zinc/63/06/42/720630642.db2.gz JLBZXRNZNMAZCP-OLZOCXBDSA-N 1 1 400.533 2.545 20 0 HFADMO COc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc2c1ccn2C ZINC001164843586 720641514 /nfs/dbraw/zinc/64/15/14/720641514.db2.gz YIWLWPLBFAHHCM-ZHALLVOQSA-N 1 1 409.538 2.551 20 0 HFADMO Fc1cccc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164738993 720668297 /nfs/dbraw/zinc/66/82/97/720668297.db2.gz LWMCPIZPCJNOPM-OLZOCXBDSA-N 1 1 400.845 2.554 20 0 HFADMO Clc1nc2c(c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n1)CCCCC2 ZINC001164740627 720687656 /nfs/dbraw/zinc/68/76/56/720687656.db2.gz REFJJAXGGDAHKR-GJZGRUSLSA-N 1 1 400.914 2.531 20 0 HFADMO CCOC(=O)c1cnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001164839667 720687953 /nfs/dbraw/zinc/68/79/53/720687953.db2.gz BAVXPSYHDOWODV-LJQANCHMSA-N 1 1 410.518 2.913 20 0 HFADMO CCOC(=O)Cc1ccc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nn1 ZINC001164839346 720702691 /nfs/dbraw/zinc/70/26/91/720702691.db2.gz LJCPYQWYYLZFCB-NRFANRHFSA-N 1 1 424.545 2.842 20 0 HFADMO CCOC(=O)c1nccc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164836965 720717194 /nfs/dbraw/zinc/71/71/94/720717194.db2.gz CDBKFGSALNFEIC-IBGZPJMESA-N 1 1 410.518 2.913 20 0 HFADMO CCN(c1ccccc1)c1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)ncn1 ZINC001164744082 720790800 /nfs/dbraw/zinc/79/08/00/720790800.db2.gz HIKJGEZFPXKXDB-VQTJNVASSA-N 1 1 417.517 2.767 20 0 HFADMO Cc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1NC(C)C ZINC001164741346 720808343 /nfs/dbraw/zinc/80/83/43/720808343.db2.gz BBDKKKHJGGEDQR-HSALFYBXSA-N 1 1 410.570 2.576 20 0 HFADMO CCOC(=O)c1ccc(C)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164749799 720808617 /nfs/dbraw/zinc/80/86/17/720808617.db2.gz UOGNWOKMOPAPEB-SFHLNBCPSA-N 1 1 424.549 2.538 20 0 HFADMO Clc1cc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1 ZINC001164747759 720813555 /nfs/dbraw/zinc/81/35/55/720813555.db2.gz PHHKMSUZXOPRMH-OFQRWUPVSA-N 1 1 408.337 2.754 20 0 HFADMO FC(F)(c1cnc(Cl)cn1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747488 720813774 /nfs/dbraw/zinc/81/37/74/720813774.db2.gz OEJLITSLFIQWSE-OWCLPIDISA-N 1 1 423.899 2.646 20 0 HFADMO COc1ccc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164739756 720818674 /nfs/dbraw/zinc/81/86/74/720818674.db2.gz IHVDUJRMJYNUOW-NPPFBWRTSA-N 1 1 419.533 2.609 20 0 HFADMO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(C)c1 ZINC001164738135 720821038 /nfs/dbraw/zinc/82/10/38/720821038.db2.gz DUBKTSAVQMNNGB-NJDAHSKKSA-N 1 1 424.549 2.538 20 0 HFADMO c1coc(-c2cnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cn2)c1 ZINC001164745562 720824342 /nfs/dbraw/zinc/82/43/42/720824342.db2.gz WTZCKCQNAOOEDA-CMKODMSKSA-N 1 1 405.506 2.708 20 0 HFADMO Clc1nc2cccnc2nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743246 720827776 /nfs/dbraw/zinc/82/77/76/720827776.db2.gz RPNHBAVCJIABCJ-SOLBZPMBSA-N 1 1 424.940 2.649 20 0 HFADMO F[C@H](Oc1cccc(Cl)n1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737666 720829079 /nfs/dbraw/zinc/82/90/79/720829079.db2.gz BLYKSKQJKSHMRO-LJCCNALRSA-N 1 1 420.920 2.833 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3nc(Cl)cc(Cl)n3)CC[C@@H]2C1 ZINC001164849798 720837347 /nfs/dbraw/zinc/83/73/47/720837347.db2.gz DEPZTJUEYRSYEZ-VXGBXAGGSA-N 1 1 411.280 2.502 20 0 HFADMO Clc1nnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2occc21 ZINC001164742954 720838344 /nfs/dbraw/zinc/83/83/44/720838344.db2.gz HOURRFZODSEZNF-BFYDXBDKSA-N 1 1 413.913 2.847 20 0 HFADMO CC(C)n1ccc2c1ncnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742533 720842862 /nfs/dbraw/zinc/84/28/62/720842862.db2.gz HGRNZJAHJOVEEG-SVFBPWRDSA-N 1 1 420.565 2.983 20 0 HFADMO COc1nnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2ccccc21 ZINC001164748019 720846410 /nfs/dbraw/zinc/84/64/10/720846410.db2.gz SETUTENOHPLPPY-WAOWUJCRSA-N 1 1 419.533 2.609 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4sc5c(c43)CC[C@H](C)C5)CC[C@@H]2C1 ZINC001164852742 720853672 /nfs/dbraw/zinc/85/36/72/720853672.db2.gz FPKFRLDTBULVSM-LZLYRXPVSA-N 1 1 416.591 2.990 20 0 HFADMO Cc1cc2cccnc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164748879 720854046 /nfs/dbraw/zinc/85/40/46/720854046.db2.gz MTMKDBXNSMJYDQ-QHAWAJNXSA-N 1 1 403.534 2.909 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3cccc(-c4cccc(Cl)n4)n3)CC[C@@H]2C1 ZINC001164854998 720855817 /nfs/dbraw/zinc/85/58/17/720855817.db2.gz LYKHEWWKABUVQL-VQIMIIECSA-N 1 1 402.926 2.971 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)ncc3-c3ccccc3)CC[C@@H]2C1 ZINC001164852643 720856909 /nfs/dbraw/zinc/85/69/09/720856909.db2.gz FCBWIGUMDIURIN-MJGOQNOKSA-N 1 1 402.926 2.971 20 0 HFADMO COc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C)n1 ZINC001164757893 720887536 /nfs/dbraw/zinc/88/75/36/720887536.db2.gz WFCAQVXUCARTGD-XUZZJYLKSA-N 1 1 423.561 2.944 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3ncc(C)c(-c4ccccc4F)n3)CC[C@@H]2C1 ZINC001164857447 720889019 /nfs/dbraw/zinc/88/90/19/720889019.db2.gz JRYPARYJKZXBBN-XLIONFOSSA-N 1 1 400.498 2.765 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@@H]2CO[C@H](CNC(=O)c3ccno3)[C@H]2C1 ZINC001164859134 720914558 /nfs/dbraw/zinc/91/45/58/720914558.db2.gz OZAVSSRIDUXKDV-UKPHBRMFSA-N 1 1 404.898 2.725 20 0 HFADMO COCCOC(=O)c1ccnc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c1 ZINC001164863973 721016631 /nfs/dbraw/zinc/01/66/31/721016631.db2.gz WDMOEDYEAZRMGD-INIZCTEOSA-N 1 1 401.511 2.503 20 0 HFADMO FC(F)(c1nc(Cl)ncc1Cl)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164864097 721031677 /nfs/dbraw/zinc/03/16/77/721031677.db2.gz XNFSPKNWBGOLDZ-UHFFFAOYSA-N 1 1 414.247 2.832 20 0 HFADMO CCOC(=O)c1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ncc1Cl ZINC001164869069 721052914 /nfs/dbraw/zinc/05/29/14/721052914.db2.gz RHWBJPBBVITXTL-DLBZAZTESA-N 1 1 416.909 2.786 20 0 HFADMO c1ccc(COc2cncc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164867125 721062755 /nfs/dbraw/zinc/06/27/55/721062755.db2.gz IHCRXZYOEDFWRL-FCHUYYIVSA-N 1 1 417.513 2.930 20 0 HFADMO CC1(C)OCc2c1nc(Cl)nc2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869984 721069737 /nfs/dbraw/zinc/06/97/37/721069737.db2.gz VBMQSTVLWWXUJI-CVEARBPZSA-N 1 1 415.925 2.770 20 0 HFADMO COC(=O)c1ccc2ccnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164865560 721076271 /nfs/dbraw/zinc/07/62/71/721076271.db2.gz MVQYPCXSHCAOJI-RTWAWAEBSA-N 1 1 418.497 2.896 20 0 HFADMO CCOC(=O)c1cc2ccnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2[nH]1 ZINC001164865512 721076940 /nfs/dbraw/zinc/07/69/40/721076940.db2.gz MDOBNKLTTTUDLB-RBUKOAKNSA-N 1 1 421.501 2.614 20 0 HFADMO COC(=O)c1ccc2nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)ccc2c1 ZINC001164863527 721079263 /nfs/dbraw/zinc/07/92/63/721079263.db2.gz CNZOYPXFVNVFGN-SFTDATJTSA-N 1 1 418.497 2.896 20 0 HFADMO Nc1cc(Cl)ncc1C(F)(F)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867636 721094922 /nfs/dbraw/zinc/09/49/22/721094922.db2.gz YZBUSVUDPSWTJM-HUUCEWRRSA-N 1 1 409.868 2.737 20 0 HFADMO COc1ccc2nc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c(Cl)nc2c1 ZINC001164770948 721112206 /nfs/dbraw/zinc/11/22/06/721112206.db2.gz RQCRQLNOLUEIEB-CVEARBPZSA-N 1 1 412.925 2.984 20 0 HFADMO Fc1ncccc1-c1ccnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164864364 721116900 /nfs/dbraw/zinc/11/69/00/721116900.db2.gz FPBRMEXUAIUDOF-MSOLQXFVSA-N 1 1 406.465 2.552 20 0 HFADMO Nc1cc(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cnc1Cl ZINC001164879025 721133405 /nfs/dbraw/zinc/13/34/05/721133405.db2.gz RLCSTXVSHVRIAY-HZPDHXFCSA-N 1 1 409.868 2.737 20 0 HFADMO COC(=O)c1ccc2cc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)ncc2c1 ZINC001164871105 721135154 /nfs/dbraw/zinc/13/51/54/721135154.db2.gz DRHYUMSDOHWOBO-FCHUYYIVSA-N 1 1 418.497 2.896 20 0 HFADMO Cc1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(-c2ccccn2)n1 ZINC001164879821 721137524 /nfs/dbraw/zinc/13/75/24/721137524.db2.gz UHOBTLXOCTTXPL-VQTJNVASSA-N 1 1 402.502 2.722 20 0 HFADMO COc1cc2c(cc1Cl)ncnc2N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164768981 721138074 /nfs/dbraw/zinc/13/80/74/721138074.db2.gz OOTFLMHHBBHPPL-HOTGVXAUSA-N 1 1 412.925 2.984 20 0 HFADMO CCOC(=O)c1cnc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164773311 721139491 /nfs/dbraw/zinc/13/94/91/721139491.db2.gz YEQYYQNRTQXRFU-NVXWUHKLSA-N 1 1 403.914 2.604 20 0 HFADMO Fc1cccc(-c2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164876459 721157643 /nfs/dbraw/zinc/15/76/43/721157643.db2.gz MNKKMEVTEWSMAJ-WOJBJXKFSA-N 1 1 406.465 2.552 20 0 HFADMO COc1cc2ccc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2cc1OC ZINC001164763458 721158967 /nfs/dbraw/zinc/15/89/67/721158967.db2.gz GBQPUVBUEDHUGR-RTBURBONSA-N 1 1 407.518 2.944 20 0 HFADMO COc1cccc(-c2ccnc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)c1 ZINC001164773829 721167000 /nfs/dbraw/zinc/16/70/00/721167000.db2.gz XIVVKWLFHOQMST-WOJBJXKFSA-N 1 1 404.518 2.844 20 0 HFADMO COc1cccc(Oc2cncc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)c1 ZINC001164765086 721169953 /nfs/dbraw/zinc/16/99/53/721169953.db2.gz HRIWUMAQJDNHTM-RBUKOAKNSA-N 1 1 420.517 2.969 20 0 HFADMO CCOC(=O)c1nc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)ccc1Cl ZINC001164761333 721179368 /nfs/dbraw/zinc/17/93/68/721179368.db2.gz APSJKAYDFQTELY-HZPDHXFCSA-N 1 1 403.914 2.604 20 0 HFADMO CSc1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(SC)n1 ZINC001164869308 721188016 /nfs/dbraw/zinc/18/80/16/721188016.db2.gz QFSBUMNRRDXWGD-HOTGVXAUSA-N 1 1 403.577 2.795 20 0 HFADMO COc1cc(OC)c2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164868747 721189537 /nfs/dbraw/zinc/18/95/37/721189537.db2.gz NOWDVFSZWSROHH-MJGOQNOKSA-N 1 1 421.501 2.522 20 0 HFADMO COc1cc(C)c2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164867889 721198316 /nfs/dbraw/zinc/19/83/16/721198316.db2.gz IYMKVDJNZCUMTI-ICSRJNTNSA-N 1 1 405.502 2.822 20 0 HFADMO COc1ccccc1-c1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)ncn1 ZINC001164762635 721210437 /nfs/dbraw/zinc/21/04/37/721210437.db2.gz DBTCDFITVPVJRV-RBUKOAKNSA-N 1 1 404.518 2.844 20 0 HFADMO COc1cc2nc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)ccc2c(OC)c1 ZINC001164768076 721234845 /nfs/dbraw/zinc/23/48/45/721234845.db2.gz XVZICBHFMKWMEA-MSOLQXFVSA-N 1 1 407.518 2.944 20 0 HFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCCN(c4cnccn4)[C@@H]3C2)nc1 ZINC001164769334 721266269 /nfs/dbraw/zinc/26/62/69/721266269.db2.gz XMUMXKINKFCRNG-NJDAHSKKSA-N 1 1 408.550 2.903 20 0 HFADMO Cc1c[nH]c2nc(Cl)cc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)c12 ZINC001164872880 721284027 /nfs/dbraw/zinc/28/40/27/721284027.db2.gz HAHJOFJRDCSHTH-UHFFFAOYSA-N 1 1 419.957 2.532 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3[C@H](C2)OCCN3c2ccc(C)nn2)nc1 ZINC001164775697 721313622 /nfs/dbraw/zinc/31/36/22/721313622.db2.gz ILJNWTQOCLTGQY-NJYVYQBISA-N 1 1 408.550 2.821 20 0 HFADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001164877890 721327158 /nfs/dbraw/zinc/32/71/58/721327158.db2.gz XNTRFIPWSNENCC-UHFFFAOYSA-N 1 1 402.829 2.701 20 0 HFADMO COC(=O)c1ccnc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164778846 721332935 /nfs/dbraw/zinc/33/29/35/721332935.db2.gz ZFQFVXOQKFTABG-JOCHJYFZSA-N 1 1 414.506 2.592 20 0 HFADMO COC(=O)c1ccnc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164778846 721332939 /nfs/dbraw/zinc/33/29/39/721332939.db2.gz ZFQFVXOQKFTABG-JOCHJYFZSA-N 1 1 414.506 2.592 20 0 HFADMO COc1ncnc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1C ZINC001164777782 721348124 /nfs/dbraw/zinc/34/81/24/721348124.db2.gz HUZCGJLILQOLHN-OAQYLSRUSA-N 1 1 401.511 2.517 20 0 HFADMO COc1ncnc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1C ZINC001164777782 721348129 /nfs/dbraw/zinc/34/81/29/721348129.db2.gz HUZCGJLILQOLHN-OAQYLSRUSA-N 1 1 401.511 2.517 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nnc(Cl)cc3F)C2)C1 ZINC001164779244 721350262 /nfs/dbraw/zinc/35/02/62/721350262.db2.gz RQPKJJUUWPLXPK-IBGZPJMESA-N 1 1 409.893 2.993 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nnc(Cl)cc3F)C2)C1 ZINC001164779244 721350264 /nfs/dbraw/zinc/35/02/64/721350264.db2.gz RQPKJJUUWPLXPK-IBGZPJMESA-N 1 1 409.893 2.993 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cncc(OC(C)C)n3)C2)C1 ZINC001164785207 721367320 /nfs/dbraw/zinc/36/73/20/721367320.db2.gz SJXXIYKOTZCYIU-JOCHJYFZSA-N 1 1 415.538 2.988 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cncc(OC(C)C)n3)C2)C1 ZINC001164785207 721367324 /nfs/dbraw/zinc/36/73/24/721367324.db2.gz SJXXIYKOTZCYIU-JOCHJYFZSA-N 1 1 415.538 2.988 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(-c4nnco4)ccn3)C2)C1 ZINC001164785001 721368938 /nfs/dbraw/zinc/36/89/38/721368938.db2.gz RSPPISRFZPGWNJ-JOCHJYFZSA-N 1 1 424.505 2.855 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(-c4nnco4)ccn3)C2)C1 ZINC001164785001 721368942 /nfs/dbraw/zinc/36/89/42/721368942.db2.gz RSPPISRFZPGWNJ-JOCHJYFZSA-N 1 1 424.505 2.855 20 0 HFADMO COc1ncc(Cl)c(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164784261 721372533 /nfs/dbraw/zinc/37/25/33/721372533.db2.gz RBYSIMBYGNTQHJ-HXUWFJFHSA-N 1 1 421.929 2.862 20 0 HFADMO COc1ncc(Cl)c(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164784261 721372537 /nfs/dbraw/zinc/37/25/37/721372537.db2.gz RBYSIMBYGNTQHJ-HXUWFJFHSA-N 1 1 421.929 2.862 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5c4CCC5)C3)O2)CC1 ZINC001164892841 721397154 /nfs/dbraw/zinc/39/71/54/721397154.db2.gz TXRUSRMRYXABTR-JTSKRJEESA-N 1 1 404.986 2.989 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)cnc4Cl)C3)O2)CC1 ZINC001164884000 721407264 /nfs/dbraw/zinc/40/72/64/721407264.db2.gz CUCRECPWUKMOAD-KDOFPFPSSA-N 1 1 400.354 2.549 20 0 HFADMO CCOC(=O)c1ccc2ncnc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c2c1 ZINC001164790345 721410730 /nfs/dbraw/zinc/41/07/30/721410730.db2.gz XDVSEUFMSMMSID-HOTGVXAUSA-N 1 1 409.515 2.831 20 0 HFADMO COC(=O)c1c(Cl)cnc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1OC ZINC001164782515 721422155 /nfs/dbraw/zinc/42/21/55/721422155.db2.gz GQXIHMUDBAFFQY-RYUDHWBXSA-N 1 1 408.911 2.555 20 0 HFADMO Cc1cc2ncnc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2s1 ZINC001164889575 721428619 /nfs/dbraw/zinc/42/86/19/721428619.db2.gz BUILMXJXPHKTSK-UWJYYQICSA-N 1 1 401.580 2.765 20 0 HFADMO Clc1nc2c(Cl)ncnc2c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164785532 721433335 /nfs/dbraw/zinc/43/33/35/721433335.db2.gz NNPQPKNHOBFBPF-NXEZZACHSA-N 1 1 408.318 2.751 20 0 HFADMO c1csc(C[NH+]2C[C@H]3CN(c4ncnc5c4ncn5-c4ccccc4)C[C@@H]3C2)n1 ZINC001164783334 721434237 /nfs/dbraw/zinc/43/42/37/721434237.db2.gz IJCVBELVKNDFLI-HOTGVXAUSA-N 1 1 403.515 2.840 20 0 HFADMO CCOc1cc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)ncn1 ZINC001164790599 721467363 /nfs/dbraw/zinc/46/73/63/721467363.db2.gz RVDXFPCTYIWAGV-LJQANCHMSA-N 1 1 404.555 2.609 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(COC)cn1)CC2 ZINC001164790000 721467877 /nfs/dbraw/zinc/46/78/77/721467877.db2.gz PVVSQAILDQBJAG-OAQYLSRUSA-N 1 1 403.567 2.962 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(COC)cn1)CC2 ZINC001164789997 721468119 /nfs/dbraw/zinc/46/81/19/721468119.db2.gz PVVSQAILDQBJAG-NRFANRHFSA-N 1 1 403.567 2.962 20 0 HFADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccnc(-n3ccccc3=O)n1)CC2 ZINC001164796819 721501418 /nfs/dbraw/zinc/50/14/18/721501418.db2.gz ZDCHAWOPCMKGJJ-UHFFFAOYSA-N 1 1 416.529 2.904 20 0 HFADMO COC(=O)c1cnc(Cl)cc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164795076 721526591 /nfs/dbraw/zinc/52/65/91/721526591.db2.gz JDMBSPRQRMBDEY-KPFFTGBYSA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1cnc(Cl)cc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164795076 721526594 /nfs/dbraw/zinc/52/65/94/721526594.db2.gz JDMBSPRQRMBDEY-KPFFTGBYSA-N 1 1 416.909 2.785 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nccc(Cl)n2)[C@H]2CCCO[C@H]12 ZINC001164804575 721532884 /nfs/dbraw/zinc/53/28/84/721532884.db2.gz KLIOOCSOGBGAIJ-UXLLHSPISA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nccc(Cl)n2)[C@H]2CCCO[C@H]12 ZINC001164804575 721532886 /nfs/dbraw/zinc/53/28/86/721532886.db2.gz KLIOOCSOGBGAIJ-UXLLHSPISA-N 1 1 409.868 2.938 20 0 HFADMO COC(=O)c1cc(F)c(C)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909734 721534368 /nfs/dbraw/zinc/53/43/68/721534368.db2.gz RRZAGRBUQHEWNI-RDJZCZTQSA-N 1 1 403.429 2.797 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3nc(Cl)ccc32)[C@H]2CCCO[C@@H]12 ZINC001164809466 721535576 /nfs/dbraw/zinc/53/55/76/721535576.db2.gz UWIRHNDEKMYUAM-YQVWRLOYSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3nc(Cl)ccc32)[C@H]2CCCO[C@@H]12 ZINC001164809466 721535579 /nfs/dbraw/zinc/53/55/79/721535579.db2.gz UWIRHNDEKMYUAM-YQVWRLOYSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3ncccc32)[C@@H]2CCCO[C@H]21 ZINC001164802355 721535739 /nfs/dbraw/zinc/53/57/39/721535739.db2.gz GCJZMDZWEQLWED-KZNAEPCWSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3ncccc32)[C@@H]2CCCO[C@H]21 ZINC001164802355 721535741 /nfs/dbraw/zinc/53/57/41/721535741.db2.gz GCJZMDZWEQLWED-KZNAEPCWSA-N 1 1 410.909 2.941 20 0 HFADMO COc1cccc2c1ncnc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164806166 721538138 /nfs/dbraw/zinc/53/81/38/721538138.db2.gz OFTAMZNJFOGMCT-DXIQSLLYSA-N 1 1 405.502 2.902 20 0 HFADMO COC(=O)c1cc(Cl)cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164807749 721538248 /nfs/dbraw/zinc/53/82/48/721538248.db2.gz QYUFPHPJKXHCSW-BJLQDIEVSA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1cc(Cl)cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164807749 721538252 /nfs/dbraw/zinc/53/82/52/721538252.db2.gz QYUFPHPJKXHCSW-BJLQDIEVSA-N 1 1 416.909 2.785 20 0 HFADMO CSc1nc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164806012 721542623 /nfs/dbraw/zinc/54/26/23/721542623.db2.gz NFNPQRVSSXEPNP-KKUMJFAQSA-N 1 1 406.943 2.510 20 0 HFADMO CSc1nc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164806012 721542628 /nfs/dbraw/zinc/54/26/28/721542628.db2.gz NFNPQRVSSXEPNP-KKUMJFAQSA-N 1 1 406.943 2.510 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cnccc32)[C@@H]2CCCO[C@H]21 ZINC001164799864 721543974 /nfs/dbraw/zinc/54/39/74/721543974.db2.gz BKCNJVRLIUVYAV-GUDVDZBRSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cnccc32)[C@@H]2CCCO[C@H]21 ZINC001164799864 721543977 /nfs/dbraw/zinc/54/39/77/721543977.db2.gz BKCNJVRLIUVYAV-GUDVDZBRSA-N 1 1 410.909 2.941 20 0 HFADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ncc5ncnc(Cl)c5n4)CC[N@H+]3C2)c1 ZINC001164910233 721545472 /nfs/dbraw/zinc/54/54/72/721545472.db2.gz TVTXTXYRQDWBPX-UKRRQHHQSA-N 1 1 400.845 2.554 20 0 HFADMO COc1ccc2c(c1)ncnc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164810473 721553954 /nfs/dbraw/zinc/55/39/54/721553954.db2.gz YLELSKGWFQOGLQ-BHIFYINESA-N 1 1 405.502 2.902 20 0 HFADMO CN(C)C(=O)c1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164907572 721556190 /nfs/dbraw/zinc/55/61/90/721556190.db2.gz OOTLUBPQIIWABX-AEFFLSMTSA-N 1 1 418.900 2.918 20 0 HFADMO NC(=O)c1cc2ccccc2c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164904654 721557351 /nfs/dbraw/zinc/55/73/51/721557351.db2.gz FBIKUPNDWSYHSJ-MJGOQNOKSA-N 1 1 406.461 2.815 20 0 HFADMO COc1cccc2cnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc21 ZINC001164807434 721557859 /nfs/dbraw/zinc/55/78/59/721557859.db2.gz TUTQRYVQOOOOOE-CNNODRBYSA-N 1 1 405.502 2.902 20 0 HFADMO COc1cccc2cnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc21 ZINC001164807434 721557865 /nfs/dbraw/zinc/55/78/65/721557865.db2.gz TUTQRYVQOOOOOE-CNNODRBYSA-N 1 1 405.502 2.902 20 0 HFADMO CC1CCN(c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nn2)CC1 ZINC001164802568 721579287 /nfs/dbraw/zinc/57/92/87/721579287.db2.gz GKAPZHDVXMKIKT-HFMPRLQTSA-N 1 1 422.577 2.976 20 0 HFADMO COc1cccc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c21 ZINC001164802523 721580285 /nfs/dbraw/zinc/58/02/85/721580285.db2.gz GGFSMSFFFUKPBA-XQBPLPMBSA-N 1 1 405.502 2.902 20 0 HFADMO COc1cccc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c21 ZINC001164802523 721580287 /nfs/dbraw/zinc/58/02/87/721580287.db2.gz GGFSMSFFFUKPBA-XQBPLPMBSA-N 1 1 405.502 2.902 20 0 HFADMO Cc1noc(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc2)n1 ZINC001164808881 721580884 /nfs/dbraw/zinc/58/08/84/721580884.db2.gz RDGIALOLOAQKJD-DYXWJJEUSA-N 1 1 406.490 2.703 20 0 HFADMO Cc1noc(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc2)n1 ZINC001164808881 721580887 /nfs/dbraw/zinc/58/08/87/721580887.db2.gz RDGIALOLOAQKJD-DYXWJJEUSA-N 1 1 406.490 2.703 20 0 HFADMO Cc1csc2ncnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c12 ZINC001164912664 721767999 /nfs/dbraw/zinc/76/79/99/721767999.db2.gz OCVNPZAHJANLNW-NRFANRHFSA-N 1 1 411.531 2.503 20 0 HFADMO Cc1csc2ncnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c12 ZINC001164912664 721768001 /nfs/dbraw/zinc/76/80/01/721768001.db2.gz OCVNPZAHJANLNW-NRFANRHFSA-N 1 1 411.531 2.503 20 0 HFADMO Cc1nc(Cl)cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1C ZINC001164914399 721785274 /nfs/dbraw/zinc/78/52/74/721785274.db2.gz CVIYRMSNPRMQIO-NRFANRHFSA-N 1 1 402.926 2.855 20 0 HFADMO Cc1nc(Cl)cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1C ZINC001164914399 721785279 /nfs/dbraw/zinc/78/52/79/721785279.db2.gz CVIYRMSNPRMQIO-NRFANRHFSA-N 1 1 402.926 2.855 20 0 HFADMO Cc1cc2ncnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2s1 ZINC001164916028 721791960 /nfs/dbraw/zinc/79/19/60/721791960.db2.gz OAUKBMTZDOWLME-NRFANRHFSA-N 1 1 411.531 2.503 20 0 HFADMO Cc1cc2ncnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2s1 ZINC001164916028 721791963 /nfs/dbraw/zinc/79/19/63/721791963.db2.gz OAUKBMTZDOWLME-NRFANRHFSA-N 1 1 411.531 2.503 20 0 HFADMO CON(C)C(=O)c1cccnc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025321 721819597 /nfs/dbraw/zinc/81/95/97/721819597.db2.gz MHZIMMXQYSBJRN-YYWHXJBOSA-N 1 1 409.534 2.847 20 0 HFADMO CON(C)C(=O)c1ccnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165023015 721827646 /nfs/dbraw/zinc/82/76/46/721827646.db2.gz HEUJRZVEIWOAIQ-TYPHKJRUSA-N 1 1 409.534 2.847 20 0 HFADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ncnc2c1ccn2Cc1ccc(F)cc1 ZINC001164926957 721867245 /nfs/dbraw/zinc/86/72/45/721867245.db2.gz TWHYCOIMFYCJJR-SFTDATJTSA-N 1 1 408.525 2.833 20 0 HFADMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ncnc2c1ccn2Cc1ccc(F)cc1 ZINC001164926957 721867246 /nfs/dbraw/zinc/86/72/46/721867246.db2.gz TWHYCOIMFYCJJR-SFTDATJTSA-N 1 1 408.525 2.833 20 0 HFADMO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001165036053 721894324 /nfs/dbraw/zinc/89/43/24/721894324.db2.gz RHBDNULDAZXFSQ-QGZVFWFLSA-N 1 1 404.536 2.812 20 0 HFADMO COc1ccc2ncnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c2c1 ZINC001164943679 721971243 /nfs/dbraw/zinc/97/12/43/721971243.db2.gz BKCRPQQAFMSURP-UHFFFAOYSA-N 1 1 417.513 2.609 20 0 HFADMO COc1ccc2ncnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c2c1 ZINC001164943679 721971245 /nfs/dbraw/zinc/97/12/45/721971245.db2.gz BKCRPQQAFMSURP-UHFFFAOYSA-N 1 1 417.513 2.609 20 0 HFADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3cccnc31)CC2 ZINC001164943744 721971457 /nfs/dbraw/zinc/97/14/57/721971457.db2.gz DFQJXLFYJNAIPU-UHFFFAOYSA-N 1 1 422.920 2.649 20 0 HFADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3cccnc31)CC2 ZINC001164943744 721971459 /nfs/dbraw/zinc/97/14/59/721971459.db2.gz DFQJXLFYJNAIPU-UHFFFAOYSA-N 1 1 422.920 2.649 20 0 HFADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncnc3c(F)cccc31)CC2 ZINC001164946925 721973374 /nfs/dbraw/zinc/97/33/74/721973374.db2.gz ZKRKWDCSGZRXCW-UHFFFAOYSA-N 1 1 405.477 2.740 20 0 HFADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncnc3c(F)cccc31)CC2 ZINC001164946925 721973376 /nfs/dbraw/zinc/97/33/76/721973376.db2.gz ZKRKWDCSGZRXCW-UHFFFAOYSA-N 1 1 405.477 2.740 20 0 HFADMO Cc1cc2ccncc2nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164947675 721980309 /nfs/dbraw/zinc/98/03/09/721980309.db2.gz IKMQVGDVPARMPU-UHFFFAOYSA-N 1 1 401.514 2.909 20 0 HFADMO Cc1cc2ccncc2nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164947675 721980310 /nfs/dbraw/zinc/98/03/10/721980310.db2.gz IKMQVGDVPARMPU-UHFFFAOYSA-N 1 1 401.514 2.909 20 0 HFADMO c1cncc(C[N@@H+]2CCC3(C2)CCN(c2ccc(CN4CCOCC4)cn2)CC3)c1 ZINC001164953246 722013473 /nfs/dbraw/zinc/01/34/73/722013473.db2.gz CWSYKBLYRUSYDM-UHFFFAOYSA-N 1 1 407.562 2.801 20 0 HFADMO CCOC(=O)Cc1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1 ZINC001164963970 722056071 /nfs/dbraw/zinc/05/60/71/722056071.db2.gz QBXMKCQFDYQOGP-UHFFFAOYSA-N 1 1 424.545 2.701 20 0 HFADMO CSc1nc(Cl)cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977208 722100689 /nfs/dbraw/zinc/10/06/89/722100689.db2.gz FBCNYVLHVSKFNZ-HZPDHXFCSA-N 1 1 405.955 2.974 20 0 HFADMO Clc1nnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c2cnccc12 ZINC001164984365 722104413 /nfs/dbraw/zinc/10/44/13/722104413.db2.gz SUPKHEPUYFXPMQ-QFBILLFUSA-N 1 1 410.909 2.801 20 0 HFADMO CCOC(=O)c1cc(F)cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980738 722104603 /nfs/dbraw/zinc/10/46/03/722104603.db2.gz KBVYDDJJDIFGSP-YLJYHZDGSA-N 1 1 414.481 2.520 20 0 HFADMO COC(=O)c1cc(Cl)cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983356 722106006 /nfs/dbraw/zinc/10/60/06/722106006.db2.gz PQMPOTMKZQIIAY-LPHOPBHVSA-N 1 1 416.909 2.644 20 0 HFADMO F[C@H](Oc1ccnc(Cl)c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976310 722108138 /nfs/dbraw/zinc/10/81/38/722108138.db2.gz LENXIFHATMFBTC-POAQFYNOSA-N 1 1 406.889 2.985 20 0 HFADMO CCOC(=O)c1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(C)c1 ZINC001164981831 722108733 /nfs/dbraw/zinc/10/87/33/722108733.db2.gz VGFWTRAIIUSVPE-PZJWPPBQSA-N 1 1 410.518 2.689 20 0 HFADMO CCOc1c(Cl)ncnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981771 722123167 /nfs/dbraw/zinc/12/31/67/722123167.db2.gz VEHGVNZPKHSSCY-DLBZAZTESA-N 1 1 403.914 2.651 20 0 HFADMO CCOC(=O)/C=C/c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164978068 722129485 /nfs/dbraw/zinc/12/94/85/722129485.db2.gz JMXWMOPXQHTLFU-ALUHFNSBSA-N 1 1 422.529 2.780 20 0 HFADMO Fc1ncccc1-c1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984238 722131840 /nfs/dbraw/zinc/13/18/40/722131840.db2.gz WPWHUGYTEOYFPR-WIYYLYMNSA-N 1 1 420.492 2.800 20 0 HFADMO Cc1noc(-c2cccnc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982217 722142111 /nfs/dbraw/zinc/14/21/11/722142111.db2.gz RKYVIPSFJWUWEF-AZUAARDMSA-N 1 1 406.490 2.562 20 0 HFADMO Fc1cccc(-c2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164978915 722145994 /nfs/dbraw/zinc/14/59/94/722145994.db2.gz KXLZWMIUPAATDG-FPOVZHCZSA-N 1 1 420.492 2.800 20 0 HFADMO c1ccc(-c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)nc1 ZINC001164983882 722148159 /nfs/dbraw/zinc/14/81/59/722148159.db2.gz VYKTVTDETINTRT-SIKLNZKXSA-N 1 1 402.502 2.661 20 0 HFADMO O=C(c1ccc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1)N1CCOCC1 ZINC001164995461 722193035 /nfs/dbraw/zinc/19/30/35/722193035.db2.gz UZWSSKXKZLHGQL-XMMPIXPASA-N 1 1 424.520 2.938 20 0 HFADMO CC(C)c1ccc2ncnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c2c1 ZINC001165001863 722237746 /nfs/dbraw/zinc/23/77/46/722237746.db2.gz NOEYVUNIGSNTEB-UHFFFAOYSA-N 1 1 417.561 2.900 20 0 HFADMO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1cc[nH+]c(N3CCCCC3)n1)C2 ZINC001165006480 722268190 /nfs/dbraw/zinc/26/81/90/722268190.db2.gz JYEAKBLLQWGJML-QHCPKHFHSA-N 1 1 424.524 2.534 20 0 HFADMO COCCN1[C@H]2CC[N@H+]([C@H]3CC[C@H](C)C3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001170139014 1078049309 /nfs/dbraw/zinc/04/93/09/1078049309.db2.gz TVGSIFWRMWJHFU-VJANTYMQSA-N 1 1 408.564 2.738 20 0 HFADMO COc1cc(C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)ccc1OCC(N)=O ZINC000790528573 1078051501 /nfs/dbraw/zinc/05/15/01/1078051501.db2.gz GHIMNQVAEYCDKW-UHFFFAOYSA-N 1 1 414.893 2.747 20 0 HFADMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)N(CCO)Cc1cccnc1Cl ZINC000793023185 1078058621 /nfs/dbraw/zinc/05/86/21/1078058621.db2.gz VYOFYBJGCLOHOB-LJQANCHMSA-N 1 1 402.926 2.904 20 0 HFADMO O=C(COC(=O)c1ccccc1Br)N1CC[NH+](Cc2ccccc2)CC1 ZINC000793027526 1078059288 /nfs/dbraw/zinc/05/92/88/1078059288.db2.gz FJFLNUAVKJHCKO-UHFFFAOYSA-N 1 1 417.303 2.950 20 0 HFADMO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000790576654 1078067091 /nfs/dbraw/zinc/06/70/91/1078067091.db2.gz NXFGCGPVVJKGGS-HNNXBMFYSA-N 1 1 417.369 2.703 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000790576654 1078067095 /nfs/dbraw/zinc/06/70/95/1078067095.db2.gz NXFGCGPVVJKGGS-HNNXBMFYSA-N 1 1 417.369 2.703 20 0 HFADMO COCC1(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793059793 1078068994 /nfs/dbraw/zinc/06/89/94/1078068994.db2.gz QGJZERLRBVEDDE-MSOLQXFVSA-N 1 1 411.587 2.887 20 0 HFADMO CCCN(C(=O)[C@@H]1CC(c2cccnc2)=NO1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000790638950 1078072373 /nfs/dbraw/zinc/07/23/73/1078072373.db2.gz FFUJIHPYGYDVJZ-NRFANRHFSA-N 1 1 422.533 2.889 20 0 HFADMO CC[N@H+]1CCC[C@@H]1CNC(=S)NCc1nc(-c2cccc(Br)c2)no1 ZINC000790616676 1078077902 /nfs/dbraw/zinc/07/79/02/1078077902.db2.gz WDYLVZYBIINSPB-CQSZACIVSA-N 1 1 424.368 2.948 20 0 HFADMO C[C@H]1CCC[N@@H+](CCNC(=O)N2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)C1 ZINC000790673516 1078087127 /nfs/dbraw/zinc/08/71/27/1078087127.db2.gz OYWJSZRXDQHCLY-ULQDDVLXSA-N 1 1 400.539 2.707 20 0 HFADMO C[C@H](NC(=O)N[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)C1=CC[N@@H+](C)CC1 ZINC000793146813 1078089838 /nfs/dbraw/zinc/08/98/38/1078089838.db2.gz BXYIMPCLEMMZBH-HTAPYJJXSA-N 1 1 400.523 2.737 20 0 HFADMO Cc1cc(N2CCC[C@@H](OC(=O)[C@H]3CCS(=O)(=O)c4ccccc43)C2)nc(C)[nH+]1 ZINC000793146611 1078090041 /nfs/dbraw/zinc/09/00/41/1078090041.db2.gz IMUOFKSFSLSYHS-AEFFLSMTSA-N 1 1 415.515 2.567 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCc1ccn(Cc2ccccc2)n1 ZINC000790690832 1078097782 /nfs/dbraw/zinc/09/77/82/1078097782.db2.gz NFJNEOBNDLBCTA-UHFFFAOYSA-N 1 1 401.474 2.820 20 0 HFADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(F)(F)Cc1ccccc1 ZINC000793238938 1078103741 /nfs/dbraw/zinc/10/37/41/1078103741.db2.gz PTEMOWPHVCRRJC-UHFFFAOYSA-N 1 1 417.456 2.899 20 0 HFADMO COCC1(CNC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000790770392 1078111031 /nfs/dbraw/zinc/11/10/31/1078111031.db2.gz QSTUMVVYLCPWJC-IAGOWNOFSA-N 1 1 424.586 2.575 20 0 HFADMO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+][C@H](C)c1nnnn1C1CC1 ZINC000790757708 1078111993 /nfs/dbraw/zinc/11/19/93/1078111993.db2.gz VJNGQKRFABULIT-ZYHUDNBSSA-N 1 1 420.539 2.931 20 0 HFADMO Cc1cc(C)c(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1I ZINC000793290811 1078119489 /nfs/dbraw/zinc/11/94/89/1078119489.db2.gz IAFWZSJQCQRUDK-KBPBESRZSA-N 1 1 414.287 2.501 20 0 HFADMO CC(C)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001691696283 1078122840 /nfs/dbraw/zinc/12/28/40/1078122840.db2.gz SVUKHZCXQCVXME-SVFBPWRDSA-N 1 1 418.630 2.964 20 0 HFADMO C[C@H](CNC(=O)CCc1ccccc1NC(=O)OC(C)(C)C)CN1CC[NH+](C)CC1 ZINC000790795941 1078136960 /nfs/dbraw/zinc/13/69/60/1078136960.db2.gz BIELOHGUUFGPSN-GOSISDBHSA-N 1 1 418.582 2.966 20 0 HFADMO COc1ccc([C@@H]2C[C@H]2NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000793379149 1078154071 /nfs/dbraw/zinc/15/40/71/1078154071.db2.gz FENFOPPLQDXCHF-CWKRKGSWSA-N 1 1 409.530 2.733 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCCN(C(=O)OC(C)(C)C)C(C)C ZINC000793417995 1078177367 /nfs/dbraw/zinc/17/73/67/1078177367.db2.gz GIUDELKKPVBXKY-UHFFFAOYSA-N 1 1 418.542 2.988 20 0 HFADMO COCC1(CNC(=O)CCCn2cc[nH+]c2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793508817 1078194250 /nfs/dbraw/zinc/19/42/50/1078194250.db2.gz WKMZYHLWSORCDT-UHFFFAOYSA-N 1 1 408.543 2.752 20 0 HFADMO Cc1nc(SC(F)F)sc1CC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000793492518 1078201180 /nfs/dbraw/zinc/20/11/80/1078201180.db2.gz VBKSYAPTFFMAPC-LBPRGKRZSA-N 1 1 404.552 2.593 20 0 HFADMO Cc1nc(SC(F)F)sc1CC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000793492518 1078201184 /nfs/dbraw/zinc/20/11/84/1078201184.db2.gz VBKSYAPTFFMAPC-LBPRGKRZSA-N 1 1 404.552 2.593 20 0 HFADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)C[C@@H]1C ZINC000793550301 1078208026 /nfs/dbraw/zinc/20/80/26/1078208026.db2.gz AGSDKFIBQDQJFX-VRXWPRPYSA-N 1 1 424.545 2.910 20 0 HFADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C[C@H]1C ZINC000793550294 1078208077 /nfs/dbraw/zinc/20/80/77/1078208077.db2.gz AGSDKFIBQDQJFX-RCOXNQKVSA-N 1 1 424.545 2.910 20 0 HFADMO COc1ccc(N=c2scc(C[NH2+]C(CO)CO)n2[C@H](C)c2ccccc2)cc1 ZINC001170434343 1078212680 /nfs/dbraw/zinc/21/26/80/1078212680.db2.gz HSQKDFHKRCGLRA-MRXNPFEDSA-N 1 1 413.543 2.843 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CN2C(=O)N[C@](C)(C3CCCCC3)C2=O)C1 ZINC000793596777 1078219249 /nfs/dbraw/zinc/21/92/49/1078219249.db2.gz ITAWBGSNGGTOTL-PKTZIBPZSA-N 1 1 413.518 2.651 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CN2C(=O)N[C@](C)(C3CCCCC3)C2=O)C1 ZINC000793596777 1078219253 /nfs/dbraw/zinc/21/92/53/1078219253.db2.gz ITAWBGSNGGTOTL-PKTZIBPZSA-N 1 1 413.518 2.651 20 0 HFADMO COc1ccc(CN2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1OC(F)F ZINC000793608854 1078220074 /nfs/dbraw/zinc/22/00/74/1078220074.db2.gz YHEYUVOANOAUFM-HNNXBMFYSA-N 1 1 415.481 2.937 20 0 HFADMO COc1ccc(CN2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1OC(F)F ZINC000793608854 1078220078 /nfs/dbraw/zinc/22/00/78/1078220078.db2.gz YHEYUVOANOAUFM-HNNXBMFYSA-N 1 1 415.481 2.937 20 0 HFADMO CCC1CCC2(CC1)NC(=O)N(C[N@@H+]1CC[C@](C(=O)OC)(c3ccccc3)C1)C2=O ZINC000793600021 1078220433 /nfs/dbraw/zinc/22/04/33/1078220433.db2.gz STEJIFXCNFCBHB-YUOODBIXSA-N 1 1 413.518 2.651 20 0 HFADMO CCC1CCC2(CC1)NC(=O)N(C[N@H+]1CC[C@](C(=O)OC)(c3ccccc3)C1)C2=O ZINC000793600021 1078220438 /nfs/dbraw/zinc/22/04/38/1078220438.db2.gz STEJIFXCNFCBHB-YUOODBIXSA-N 1 1 413.518 2.651 20 0 HFADMO C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)C(F)(F)Cc3ccccc3)c2)CC1 ZINC000793601291 1078220657 /nfs/dbraw/zinc/22/06/57/1078220657.db2.gz ZEDVEXMEWSGLBM-UHFFFAOYSA-N 1 1 401.457 2.820 20 0 HFADMO CC[N@H+](Cc1c(C)nn(CC(=O)OC(C)C)c1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000793604082 1078221935 /nfs/dbraw/zinc/22/19/35/1078221935.db2.gz NRSXDKFDWKALJU-UHFFFAOYSA-N 1 1 408.543 2.893 20 0 HFADMO CC[N@@H+](Cc1c(C)nn(CC(=O)OC(C)C)c1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000793604082 1078221938 /nfs/dbraw/zinc/22/19/38/1078221938.db2.gz NRSXDKFDWKALJU-UHFFFAOYSA-N 1 1 408.543 2.893 20 0 HFADMO COc1cc2c(c(CN3CC[N@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)c1)O[C@H](C)C2 ZINC000793604553 1078222897 /nfs/dbraw/zinc/22/28/97/1078222897.db2.gz RHMAZCKYRXMEEL-CRAIPNDOSA-N 1 1 405.539 2.659 20 0 HFADMO COc1cc2c(c(CN3CC[N@@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)c1)O[C@H](C)C2 ZINC000793604553 1078222899 /nfs/dbraw/zinc/22/28/99/1078222899.db2.gz RHMAZCKYRXMEEL-CRAIPNDOSA-N 1 1 405.539 2.659 20 0 HFADMO Fc1ccc(-n2c(C[NH+]3CCCCC3)nn(CN3CCO[C@@H]4C[C@@H]43)c2=S)cc1 ZINC000793612896 1078228226 /nfs/dbraw/zinc/22/82/26/1078228226.db2.gz JDRATDJDMOXBQZ-ZWKOTPCHSA-N 1 1 403.527 2.959 20 0 HFADMO C[C@@H](COc1ccccc1)NC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000793681954 1078252835 /nfs/dbraw/zinc/25/28/35/1078252835.db2.gz NWOXPSNSHPGKRX-VQTJNVASSA-N 1 1 409.530 2.693 20 0 HFADMO C[C@@H](O)c1ccc(CNC(=O)C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1 ZINC000793657249 1078259243 /nfs/dbraw/zinc/25/92/43/1078259243.db2.gz NJGIJLQLRAJWEI-HXUWFJFHSA-N 1 1 423.557 2.523 20 0 HFADMO COC(=O)[C@H]1CC(=O)N(CN2CC[N@@H+](CCCc3ccccc3)C[C@@H]2CC(C)C)C1 ZINC000793726642 1078268267 /nfs/dbraw/zinc/26/82/67/1078268267.db2.gz YFPRVGXKRIKAIW-VXKWHMMOSA-N 1 1 415.578 2.631 20 0 HFADMO Cc1ccc([C@H](CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)N(C)C)cc1 ZINC000793718742 1078264592 /nfs/dbraw/zinc/26/45/92/1078264592.db2.gz KDDNXMCBNXZDSW-HRTMPFAESA-N 1 1 414.594 2.627 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000793719836 1078264915 /nfs/dbraw/zinc/26/49/15/1078264915.db2.gz DKKBTRAXSXMMFJ-BBRMVZONSA-N 1 1 416.526 2.598 20 0 HFADMO C[C@@H](COc1ccccc1)NC(=O)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000793692568 1078270098 /nfs/dbraw/zinc/27/00/98/1078270098.db2.gz ZWPTVXZYHJENSE-FQEVSTJZSA-N 1 1 423.557 2.941 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC001170436658 1078278168 /nfs/dbraw/zinc/27/81/68/1078278168.db2.gz JMAFXYWUVDVRNP-VGOFRKELSA-N 1 1 401.507 2.824 20 0 HFADMO COC(=O)c1c2cnn(CN3CC[C@]4(CC[N@@H+](C)C4)C3)c2ccc1Br ZINC000793750900 1078291040 /nfs/dbraw/zinc/29/10/40/1078291040.db2.gz ZGHBTTILPKIUSC-SFHVURJKSA-N 1 1 407.312 2.571 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC000793780598 1078292380 /nfs/dbraw/zinc/29/23/80/1078292380.db2.gz BZOGXTXTUBJPNV-SFHVURJKSA-N 1 1 411.502 2.652 20 0 HFADMO CC[C@@H]1c2ccsc2CCN1C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000793807736 1078306288 /nfs/dbraw/zinc/30/62/88/1078306288.db2.gz IZTYMUAVWSIROG-QGZVFWFLSA-N 1 1 409.515 2.789 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(CCc1ccccc1)CC(C)C ZINC000793802842 1078303558 /nfs/dbraw/zinc/30/35/58/1078303558.db2.gz OYXRTRNTJAZLTP-UHFFFAOYSA-N 1 1 419.529 2.919 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000793802819 1078303568 /nfs/dbraw/zinc/30/35/68/1078303568.db2.gz OHVALIZFFWGHKY-FQEVSTJZSA-N 1 1 403.486 2.728 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000793805998 1078304961 /nfs/dbraw/zinc/30/49/61/1078304961.db2.gz COGZQMFVEQHWOQ-JXFKEZNVSA-N 1 1 403.486 2.597 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)Cc1cccc(OC(C)C)c1 ZINC000793806309 1078304990 /nfs/dbraw/zinc/30/49/90/1078304990.db2.gz LSHHXVJMSDNHFL-UHFFFAOYSA-N 1 1 421.501 2.638 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H](C)CSc1ccc(C)cc1 ZINC000793807526 1078305271 /nfs/dbraw/zinc/30/52/71/1078305271.db2.gz ZNWQFEKMDNQMED-INIZCTEOSA-N 1 1 423.542 2.797 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000793792519 1078298314 /nfs/dbraw/zinc/29/83/14/1078298314.db2.gz PIYUFKCKGXFTIJ-XQBPLPMBSA-N 1 1 409.530 2.515 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793777063 1078308778 /nfs/dbraw/zinc/30/87/78/1078308778.db2.gz DCYGHTVEDOXQSB-FPOVZHCZSA-N 1 1 409.530 2.611 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000793777842 1078309084 /nfs/dbraw/zinc/30/90/84/1078309084.db2.gz HEDORUXGBAUMRG-ZJOUEHCJSA-N 1 1 409.530 2.830 20 0 HFADMO CCc1cc(CNC(=O)C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)[nH]n1 ZINC000793839363 1078310999 /nfs/dbraw/zinc/31/09/99/1078310999.db2.gz ZWDLMUGCHBGXNA-UHFFFAOYSA-N 1 1 411.550 2.669 20 0 HFADMO CCc1cc(CNC(=O)C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)n[nH]1 ZINC000793839363 1078311002 /nfs/dbraw/zinc/31/10/02/1078311002.db2.gz ZWDLMUGCHBGXNA-UHFFFAOYSA-N 1 1 411.550 2.669 20 0 HFADMO CCc1cc(CNC(=O)C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)n[nH]1 ZINC000793839363 1078311006 /nfs/dbraw/zinc/31/10/06/1078311006.db2.gz ZWDLMUGCHBGXNA-UHFFFAOYSA-N 1 1 411.550 2.669 20 0 HFADMO CC(C)C[N@H+]1CCO[C@@H](COC(=O)c2ccccc2SCC(=O)N2CCCC2)C1 ZINC000793840914 1078311826 /nfs/dbraw/zinc/31/18/26/1078311826.db2.gz JWBLRAAFEATJBL-GOSISDBHSA-N 1 1 420.575 2.915 20 0 HFADMO C[N@@H+](CCNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1)Cc1ccccc1 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C[NH+](C)C[C@H](NS(=O)(=O)c1c(Cl)nc2sccn21)c1ccc(F)cc1 ZINC000805121534 1078905335 /nfs/dbraw/zinc/90/53/35/1078905335.db2.gz QLZPJOHYZJTKHI-LBPRGKRZSA-N 1 1 402.904 2.770 20 0 HFADMO CCc1ccc(N2CCN(C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)cc1Cl ZINC000805074760 1078906089 /nfs/dbraw/zinc/90/60/89/1078906089.db2.gz ORXHYFIWKMGXOZ-RTBURBONSA-N 1 1 406.958 2.597 20 0 HFADMO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805137840 1078934424 /nfs/dbraw/zinc/93/44/24/1078934424.db2.gz JYFBDOSMBSWOSY-PGRDOPGGSA-N 1 1 424.586 2.530 20 0 HFADMO COc1cccc(NC(=O)COc2ccc(C(=O)N(C)C[C@@H]3CCC[N@H+]3C)cc2)c1 ZINC001130099049 1078949483 /nfs/dbraw/zinc/94/94/83/1078949483.db2.gz RGLRMYGAVHJNHA-IBGZPJMESA-N 1 1 411.502 2.879 20 0 HFADMO C[C@]1(CNC(=O)C(=O)N2CC[C@H](c3ccccn3)C2)CCC[N@H+]1Cc1ccccc1 ZINC000805199377 1078952672 /nfs/dbraw/zinc/95/26/72/1078952672.db2.gz ZAHJVUHNXHPXGT-GBXCKJPGSA-N 1 1 406.530 2.568 20 0 HFADMO C[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)C1 ZINC000805184229 1078966015 /nfs/dbraw/zinc/96/60/15/1078966015.db2.gz LDPSLZRXUFWETQ-MJGOQNOKSA-N 1 1 402.539 2.914 20 0 HFADMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000805184546 1078966033 /nfs/dbraw/zinc/96/60/33/1078966033.db2.gz RSINXHSWYZSASD-QMHWVQJVSA-N 1 1 406.493 2.594 20 0 HFADMO Cc1cc([C@H]2CCCN2C(=O)C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)no1 ZINC000805197541 1078970964 /nfs/dbraw/zinc/97/09/64/1078970964.db2.gz FWCLAWUPEQQOJK-NFBKMPQASA-N 1 1 410.518 2.817 20 0 HFADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)[C@H]2COc3ccccc3C2)CC1 ZINC000805246411 1078983029 /nfs/dbraw/zinc/98/30/29/1078983029.db2.gz XPAJVVLQJVPDNF-WIYYLYMNSA-N 1 1 408.498 2.686 20 0 HFADMO C[C@]1(CNC(=O)NCCn2cc(Br)cn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000805437050 1079063750 /nfs/dbraw/zinc/06/37/50/1079063750.db2.gz HGCISXHCOFAGDQ-LJQANCHMSA-N 1 1 420.355 2.857 20 0 HFADMO CC(C)C[C@]1(C)CCC[N@@H+]1CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC001170481306 1079068912 /nfs/dbraw/zinc/06/89/12/1079068912.db2.gz RYTIIUZFXGWMCM-IBGZPJMESA-N 1 1 416.609 2.611 20 0 HFADMO CC(C)C[C@]1(C)CCC[N@H+]1CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC001170481306 1079068914 /nfs/dbraw/zinc/06/89/14/1079068914.db2.gz RYTIIUZFXGWMCM-IBGZPJMESA-N 1 1 416.609 2.611 20 0 HFADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2nc(-c3cccnc3Cl)ns2)cn1 ZINC001130206199 1079084005 /nfs/dbraw/zinc/08/40/05/1079084005.db2.gz JPRHULVDJHXMBT-GXTWGEPZSA-N 1 1 417.926 2.661 20 0 HFADMO CC(C)[C@H](CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC001130228380 1079113570 /nfs/dbraw/zinc/11/35/70/1079113570.db2.gz CQVIMAQKKOKHGO-VQTJNVASSA-N 1 1 403.567 2.705 20 0 HFADMO CN1CC[NH+](Cc2ccc(CNS(=O)(=O)/C=C\c3ccc(F)cc3)cc2)CC1 ZINC000747249151 1079124927 /nfs/dbraw/zinc/12/49/27/1079124927.db2.gz XORINKOOHLKGRJ-GDNBJRDFSA-N 1 1 403.523 2.663 20 0 HFADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCCOc2ccc(SC)cc2)CC1=O ZINC000805542175 1079130987 /nfs/dbraw/zinc/13/09/87/1079130987.db2.gz IGBMAGFGZZWRCD-SJORKVTESA-N 1 1 406.548 2.663 20 0 HFADMO CNC(=O)c1cncc(/C=C\C(=O)N(C(C)C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001130257197 1079146197 /nfs/dbraw/zinc/14/61/97/1079146197.db2.gz MUCAZIMHHFPKIK-MZMPXXGTSA-N 1 1 406.530 2.966 20 0 HFADMO C[C@@H](CNC(=O)c1ccc(I)c(F)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259730 1079148883 /nfs/dbraw/zinc/14/88/83/1079148883.db2.gz KNHVACUPBVFQGB-SDDRHHMPSA-N 1 1 420.266 2.658 20 0 HFADMO C[C@@H](CNC(=O)c1ccc(I)c(F)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259730 1079148887 /nfs/dbraw/zinc/14/88/87/1079148887.db2.gz KNHVACUPBVFQGB-SDDRHHMPSA-N 1 1 420.266 2.658 20 0 HFADMO CC(C)(C(=O)OCC(=O)NCCOc1cccc(C(F)(F)F)c1)[NH+]1CCCC1 ZINC000805609685 1079174106 /nfs/dbraw/zinc/17/41/06/1079174106.db2.gz CUVWCHASIKYJNQ-UHFFFAOYSA-N 1 1 402.413 2.618 20 0 HFADMO C[NH+]1CCN([C@H](CNS(=O)(=O)/C=C\c2ccc(F)cc2)c2cccs2)CC1 ZINC000747256787 1079189137 /nfs/dbraw/zinc/18/91/37/1079189137.db2.gz NFJXPJZMCMXLHI-DVNIYVAHSA-N 1 1 409.552 2.766 20 0 HFADMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001130301197 1079192707 /nfs/dbraw/zinc/19/27/07/1079192707.db2.gz IUORDHOGNKMVKI-YXJHDRRASA-N 1 1 420.351 2.935 20 0 HFADMO Cc1ccc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1S(=O)(=O)NC1CCCC1 ZINC001130301327 1079192771 /nfs/dbraw/zinc/19/27/71/1079192771.db2.gz LJRHLYYSZOIXQR-PMACEKPBSA-N 1 1 419.591 2.963 20 0 HFADMO CCOC(=O)C(C)(C)CC(=O)OCC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000805662336 1079208474 /nfs/dbraw/zinc/20/84/74/1079208474.db2.gz UIIBVKNGDGDGCP-UHFFFAOYSA-N 1 1 418.534 2.552 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCOC2CCC2)C1 ZINC000805747843 1079229395 /nfs/dbraw/zinc/22/93/95/1079229395.db2.gz HVDDFTLPKBXBDB-PKOBYXMFSA-N 1 1 409.571 2.783 20 0 HFADMO C[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@H](O)Cc1cccc(Cl)c1 ZINC000805732039 1079239264 /nfs/dbraw/zinc/23/92/64/1079239264.db2.gz JFESKCCPHSKPJM-OAQYLSRUSA-N 1 1 417.937 2.651 20 0 HFADMO C[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@H](O)Cc1cccc(Cl)c1 ZINC000805732039 1079239268 /nfs/dbraw/zinc/23/92/68/1079239268.db2.gz JFESKCCPHSKPJM-OAQYLSRUSA-N 1 1 417.937 2.651 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1cccc(OC)c1OC ZINC000805763155 1079264571 /nfs/dbraw/zinc/26/45/71/1079264571.db2.gz PXMJWTKZKACXCW-SFHVURJKSA-N 1 1 421.538 2.605 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)N(C)Cc1cccc(OC)c1OC ZINC000805763155 1079264577 /nfs/dbraw/zinc/26/45/77/1079264577.db2.gz PXMJWTKZKACXCW-SFHVURJKSA-N 1 1 421.538 2.605 20 0 HFADMO CC[C@H](C)[N@@H+](CCO)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000805789625 1079255994 /nfs/dbraw/zinc/25/59/94/1079255994.db2.gz HFCUSVWXUOXRMR-HNNXBMFYSA-N 1 1 413.474 2.699 20 0 HFADMO COC(=O)/C=C\c1ccc(S(=O)(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)cc1 ZINC000747268336 1079256579 /nfs/dbraw/zinc/25/65/79/1079256579.db2.gz IHGYHVXSEIPSJE-ADYSOMBNSA-N 1 1 400.500 2.554 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(OCC(N)=O)cc1)C2 ZINC000805794611 1079258730 /nfs/dbraw/zinc/25/87/30/1079258730.db2.gz XONAMYJYUOUAEV-QFIPXVFZSA-N 1 1 403.523 2.774 20 0 HFADMO Cc1cc(N2CC[C@@H]([N@@H+]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2=O)n(C)n1 ZINC000805795297 1079259823 /nfs/dbraw/zinc/25/98/23/1079259823.db2.gz KRTAGNAEMVQPKB-VGSWGCGISA-N 1 1 417.554 2.557 20 0 HFADMO Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2=O)n(C)n1 ZINC000805795297 1079259827 /nfs/dbraw/zinc/25/98/27/1079259827.db2.gz KRTAGNAEMVQPKB-VGSWGCGISA-N 1 1 417.554 2.557 20 0 HFADMO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000805762215 1079264099 /nfs/dbraw/zinc/26/40/99/1079264099.db2.gz FOPGYKCRWWPVLJ-RTBURBONSA-N 1 1 402.539 2.957 20 0 HFADMO C[C@H]1Oc2ccccc2N(CCC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC001130393002 1079273369 /nfs/dbraw/zinc/27/33/69/1079273369.db2.gz DICQHXJZOFVJIZ-KOSHJBKYSA-N 1 1 407.514 2.971 20 0 HFADMO COC(=O)c1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)n1 ZINC000805763867 1079265530 /nfs/dbraw/zinc/26/55/30/1079265530.db2.gz RLTLTDHQDYNXKZ-OAHLLOKOSA-N 1 1 420.510 2.576 20 0 HFADMO COC(=O)c1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)n1 ZINC000805763867 1079265535 /nfs/dbraw/zinc/26/55/35/1079265535.db2.gz RLTLTDHQDYNXKZ-OAHLLOKOSA-N 1 1 420.510 2.576 20 0 HFADMO CC(=O)NCC[C@H]1CCC[N@H+](CC(=O)c2cc(C)n(NC(=O)c3ccccc3)c2C)C1 ZINC000805825272 1079294976 /nfs/dbraw/zinc/29/49/76/1079294976.db2.gz PBECHSZAQUPSAT-HXUWFJFHSA-N 1 1 424.545 2.910 20 0 HFADMO CC(=O)NCC[C@H]1CCC[N@@H+](CC(=O)c2cc(C)n(NC(=O)c3ccccc3)c2C)C1 ZINC000805825272 1079294984 /nfs/dbraw/zinc/29/49/84/1079294984.db2.gz PBECHSZAQUPSAT-HXUWFJFHSA-N 1 1 424.545 2.910 20 0 HFADMO COC(=O)N1CCC(CNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000805831157 1079301033 /nfs/dbraw/zinc/30/10/33/1079301033.db2.gz SYCWLIBYTOZRPO-GOSISDBHSA-N 1 1 402.539 2.771 20 0 HFADMO COC[C@]1(CNC(=O)N(C)CCCn2cc[nH+]c2C)CCCN1C(=O)OC(C)(C)C ZINC000805859494 1079306690 /nfs/dbraw/zinc/30/66/90/1079306690.db2.gz QQESDOSHNOXDNF-OAQYLSRUSA-N 1 1 423.558 2.639 20 0 HFADMO CCN1C[C@@H](C[N@H+]2CC[C@H](Cc3cccc(I)c3)C2)OC1=O ZINC001170490734 1079317898 /nfs/dbraw/zinc/31/78/98/1079317898.db2.gz ODVSBBAECZVYOU-GDBMZVCRSA-N 1 1 414.287 2.996 20 0 HFADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NS(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000747275639 1079329859 /nfs/dbraw/zinc/32/98/59/1079329859.db2.gz BEMILBQHHDNEQT-MUMAZLPKSA-N 1 1 403.523 2.927 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c(Cl)cc1Cl ZINC000747276277 1079340253 /nfs/dbraw/zinc/34/02/53/1079340253.db2.gz FGTONUNPJVAWRM-YGRLFVJLSA-N 1 1 409.335 2.741 20 0 HFADMO COC(=O)c1ccc(F)c(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)c1 ZINC000747284061 1079355996 /nfs/dbraw/zinc/35/59/96/1079355996.db2.gz NZCKSBPWRPFEOB-MRXNPFEDSA-N 1 1 420.506 2.897 20 0 HFADMO COC(=O)c1ccc(F)c(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)c1 ZINC000747284061 1079356001 /nfs/dbraw/zinc/35/60/01/1079356001.db2.gz NZCKSBPWRPFEOB-MRXNPFEDSA-N 1 1 420.506 2.897 20 0 HFADMO CCN1CCN(c2ccc(Cl)cc2NC(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000747294615 1079395176 /nfs/dbraw/zinc/39/51/76/1079395176.db2.gz SJPVADVEUJSTCF-UHFFFAOYSA-N 1 1 419.961 2.884 20 0 HFADMO Cn1ncc(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000806000898 1079396998 /nfs/dbraw/zinc/39/69/98/1079396998.db2.gz KUROCOYOFGZRRZ-RHSMWYFYSA-N 1 1 410.444 2.716 20 0 HFADMO Cn1nccc1[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C(=O)OC(C)(C)C ZINC001130493416 1079403313 /nfs/dbraw/zinc/40/33/13/1079403313.db2.gz XLWWLVHOMIGZKZ-DLBZAZTESA-N 1 1 406.914 2.875 20 0 HFADMO C[NH+](C)[C@@H](CNC(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1)c1ccco1 ZINC000747300570 1079416981 /nfs/dbraw/zinc/41/69/81/1079416981.db2.gz ZZQCGIFSRXYIEY-GJZGRUSLSA-N 1 1 401.385 2.814 20 0 HFADMO CC(C)NC(=O)c1ccc(C(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001130527145 1079436092 /nfs/dbraw/zinc/43/60/92/1079436092.db2.gz ACNLFLFFLKMBKD-GOTSBHOMSA-N 1 1 421.541 2.940 20 0 HFADMO C[C@H](Sc1ncccc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N1CCCC1 ZINC001130518239 1079449430 /nfs/dbraw/zinc/44/94/30/1079449430.db2.gz ISJUOQDEHSZFOW-QXAKKESOSA-N 1 1 416.591 2.931 20 0 HFADMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001130518222 1079449467 /nfs/dbraw/zinc/44/94/67/1079449467.db2.gz ILSABPOKXLRZIM-PMACEKPBSA-N 1 1 405.564 2.608 20 0 HFADMO CC(C)C[N@@H+](C)CCCNC(=O)c1cnn(C(C)C)c1I ZINC001130523567 1079458532 /nfs/dbraw/zinc/45/85/32/1079458532.db2.gz FFJONQOSMNHQLK-UHFFFAOYSA-N 1 1 406.312 2.776 20 0 HFADMO CC(C)C[N@@H+](C)CCCNC(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC001130523588 1079458588 /nfs/dbraw/zinc/45/85/88/1079458588.db2.gz FWBSAUDNNIUQKX-UHFFFAOYSA-N 1 1 423.604 2.850 20 0 HFADMO Cc1ccc(C)c(OCC(=O)OCC(=O)N2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000806144708 1079466290 /nfs/dbraw/zinc/46/62/90/1079466290.db2.gz ZVDWQYYNYJPPRO-UHFFFAOYSA-N 1 1 410.514 2.878 20 0 HFADMO COCCOc1cccc(C(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001130529731 1079466298 /nfs/dbraw/zinc/46/62/98/1079466298.db2.gz YOLTXJXQMMEOAP-PKTZIBPZSA-N 1 1 410.514 2.827 20 0 HFADMO C[C@]1(CNC(=O)C(=O)N[C@H]2CSc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000806151830 1079468072 /nfs/dbraw/zinc/46/80/72/1079468072.db2.gz QZAWPNKGUGBNLG-WMZHIEFXSA-N 1 1 409.555 2.978 20 0 HFADMO CN1CC[NH+](CCCOc2ccc(NC(=O)c3cc(C(F)F)ncn3)cc2)CC1 ZINC001130545097 1079476685 /nfs/dbraw/zinc/47/66/85/1079476685.db2.gz XZKQLRQCVOVDAT-UHFFFAOYSA-N 1 1 405.449 2.683 20 0 HFADMO CC(C)S(=O)(=O)c1ccc(CC(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)cc1 ZINC001130549381 1079485800 /nfs/dbraw/zinc/48/58/00/1079485800.db2.gz DFPKLBDKDOKLGL-NRFANRHFSA-N 1 1 414.571 2.797 20 0 HFADMO CC(C)S(=O)(=O)c1ccc(CC(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)cc1 ZINC001130549381 1079485805 /nfs/dbraw/zinc/48/58/05/1079485805.db2.gz DFPKLBDKDOKLGL-NRFANRHFSA-N 1 1 414.571 2.797 20 0 HFADMO Cc1cc(C(N)=O)ccc1NC(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000806201196 1079489035 /nfs/dbraw/zinc/48/90/35/1079489035.db2.gz BXNDDLRIANIPKC-NRFANRHFSA-N 1 1 421.545 2.518 20 0 HFADMO C[N@@H+]1CCN(C(=O)c2cc3nccc(C(F)(F)F)n3n2)[C@H](Cc2ccccc2)C1 ZINC001130554297 1079496054 /nfs/dbraw/zinc/49/60/54/1079496054.db2.gz ODNMTUNNKRGDDX-OAHLLOKOSA-N 1 1 403.408 2.747 20 0 HFADMO C[N@H+]1CCN(C(=O)c2cc3nccc(C(F)(F)F)n3n2)[C@H](Cc2ccccc2)C1 ZINC001130554297 1079496057 /nfs/dbraw/zinc/49/60/57/1079496057.db2.gz ODNMTUNNKRGDDX-OAHLLOKOSA-N 1 1 403.408 2.747 20 0 HFADMO Cn1nc(C(=O)Nc2ccc(OCCC[NH+]3CCN(C)CC3)cc2)cc1C(F)F ZINC001130543699 1079499417 /nfs/dbraw/zinc/49/94/17/1079499417.db2.gz CTJUPQVXSGQAFZ-UHFFFAOYSA-N 1 1 407.465 2.626 20 0 HFADMO CCOC(=O)C1C(C[N@H+]2C[C@@H](C)CC2(C)C)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000746673558 1076747759 /nfs/dbraw/zinc/74/77/59/1076747759.db2.gz CZSVZYYPAPITQK-IFXJQAMLSA-N 1 1 401.507 2.987 20 0 HFADMO CCOC(=O)C1=C(C[N@@H+]2C[C@@H](C)CC2(C)C)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000746673558 1076747768 /nfs/dbraw/zinc/74/77/68/1076747768.db2.gz CZSVZYYPAPITQK-IFXJQAMLSA-N 1 1 401.507 2.987 20 0 HFADMO CCOC(=O)C1=C(C[N@H+]2C[C@@H](C)CC2(C)C)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000746673558 1076747779 /nfs/dbraw/zinc/74/77/79/1076747779.db2.gz CZSVZYYPAPITQK-IFXJQAMLSA-N 1 1 401.507 2.987 20 0 HFADMO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc(=O)oc3cc(NC(C)=O)ccc23)C1 ZINC000746676457 1076750519 /nfs/dbraw/zinc/75/05/19/1076750519.db2.gz WTMYGSAMYBWCLL-LJQANCHMSA-N 1 1 401.507 2.684 20 0 HFADMO C[C@@H](NC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CC(N)=O)C1)c1ccccc1 ZINC000746676433 1076750531 /nfs/dbraw/zinc/75/05/31/1076750531.db2.gz VVDVLQVPEHTQBK-QZTJIDSGSA-N 1 1 422.529 2.704 20 0 HFADMO C[C@@H](NC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](CC(N)=O)C1)c1ccccc1 ZINC000746676433 1076750536 /nfs/dbraw/zinc/75/05/36/1076750536.db2.gz VVDVLQVPEHTQBK-QZTJIDSGSA-N 1 1 422.529 2.704 20 0 HFADMO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000787313488 1076758919 /nfs/dbraw/zinc/75/89/19/1076758919.db2.gz ZLWZLEWABJBILU-WOJBJXKFSA-N 1 1 421.900 2.579 20 0 HFADMO CC(C)CN(CC[NH+](C)C)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787323731 1076766777 /nfs/dbraw/zinc/76/67/77/1076766777.db2.gz QEFVPMUKAFMYLR-INIZCTEOSA-N 1 1 407.559 2.794 20 0 HFADMO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000787323194 1076767002 /nfs/dbraw/zinc/76/70/02/1076767002.db2.gz ARYNJTNROFFFOW-LNLFQRSKSA-N 1 1 424.586 2.527 20 0 HFADMO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)[C@@H]1C ZINC000787324726 1076767937 /nfs/dbraw/zinc/76/79/37/1076767937.db2.gz CUDCASVRBIZQJD-MJGOQNOKSA-N 1 1 423.513 2.747 20 0 HFADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)[C@@H]1C ZINC000787324726 1076767945 /nfs/dbraw/zinc/76/79/45/1076767945.db2.gz CUDCASVRBIZQJD-MJGOQNOKSA-N 1 1 423.513 2.747 20 0 HFADMO Cn1cc(C[C@@H]2CC[N@H+](Cc3nc(C(C)(C)NC(=O)OC(C)(C)C)no3)C2)cn1 ZINC000746679604 1076775632 /nfs/dbraw/zinc/77/56/32/1076775632.db2.gz QBXTWIWMCTYSKP-AWEZNQCLSA-N 1 1 404.515 2.628 20 0 HFADMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3nc(C(C)(C)NC(=O)OC(C)(C)C)no3)C2)cn1 ZINC000746679604 1076775637 /nfs/dbraw/zinc/77/56/37/1076775637.db2.gz QBXTWIWMCTYSKP-AWEZNQCLSA-N 1 1 404.515 2.628 20 0 HFADMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787387420 1076804638 /nfs/dbraw/zinc/80/46/38/1076804638.db2.gz YSTSVQMSFNPXEC-MAUKXSAKSA-N 1 1 405.543 2.546 20 0 HFADMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787387420 1076804642 /nfs/dbraw/zinc/80/46/42/1076804642.db2.gz YSTSVQMSFNPXEC-MAUKXSAKSA-N 1 1 405.543 2.546 20 0 HFADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787393186 1076806161 /nfs/dbraw/zinc/80/61/61/1076806161.db2.gz GUXYVPXYHCASNF-HOTGVXAUSA-N 1 1 405.543 2.548 20 0 HFADMO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787393186 1076806165 /nfs/dbraw/zinc/80/61/65/1076806165.db2.gz GUXYVPXYHCASNF-HOTGVXAUSA-N 1 1 405.543 2.548 20 0 HFADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787393186 1076806170 /nfs/dbraw/zinc/80/61/70/1076806170.db2.gz GUXYVPXYHCASNF-HOTGVXAUSA-N 1 1 405.543 2.548 20 0 HFADMO CC(C)(CNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)[N@@H+]1CCc2ccccc2C1 ZINC000746680936 1076814270 /nfs/dbraw/zinc/81/42/70/1076814270.db2.gz GQZRTURTNNLTLQ-UHFFFAOYSA-N 1 1 422.554 2.638 20 0 HFADMO CC(C)(CNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)[N@H+]1CCc2ccccc2C1 ZINC000746680936 1076814277 /nfs/dbraw/zinc/81/42/77/1076814277.db2.gz GQZRTURTNNLTLQ-UHFFFAOYSA-N 1 1 422.554 2.638 20 0 HFADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@]2(Cc3ccccc3)CCN(C)C2=O)CC1 ZINC001170073174 1076814985 /nfs/dbraw/zinc/81/49/85/1076814985.db2.gz SGNHZQNKAIUSEO-NLFFAJNJSA-N 1 1 405.542 2.983 20 0 HFADMO CC[C@H](CNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)[N@@H+]1CCc2ccccc2C1 ZINC000746681911 1076815378 /nfs/dbraw/zinc/81/53/78/1076815378.db2.gz NUULFGXEIQILHI-GOSISDBHSA-N 1 1 422.554 2.638 20 0 HFADMO CC[C@H](CNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)[N@H+]1CCc2ccccc2C1 ZINC000746681911 1076815384 /nfs/dbraw/zinc/81/53/84/1076815384.db2.gz NUULFGXEIQILHI-GOSISDBHSA-N 1 1 422.554 2.638 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2Cc2ccccc2C)cn1 ZINC000787489803 1076823494 /nfs/dbraw/zinc/82/34/94/1076823494.db2.gz NXLSDJWPUGZGEL-OAQYLSRUSA-N 1 1 417.513 2.734 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)cn1 ZINC000787476815 1076837394 /nfs/dbraw/zinc/83/73/94/1076837394.db2.gz FORGVPUJDZHMOJ-AZUAARDMSA-N 1 1 421.476 2.784 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cn1 ZINC000787478551 1076838378 /nfs/dbraw/zinc/83/83/78/1076838378.db2.gz QYZXNLVFXUHTNR-KXBFYZLASA-N 1 1 421.476 2.736 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H]2CC(C)(C)c3ccccc32)cn1 ZINC000787480097 1076838649 /nfs/dbraw/zinc/83/86/49/1076838649.db2.gz BTCXQQGORLLQLA-LJQANCHMSA-N 1 1 403.486 2.731 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCc2ccc(-c3ccccc3)o2)cn1 ZINC000787480963 1076839356 /nfs/dbraw/zinc/83/93/56/1076839356.db2.gz JBJXQAJUPILENH-UHFFFAOYSA-N 1 1 415.453 2.768 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H](C)c2nc3ccccc3s2)cn1 ZINC000787484006 1076841631 /nfs/dbraw/zinc/84/16/31/1076841631.db2.gz ILSMKXNNQXQVTL-ZDUSSCGKSA-N 1 1 420.498 2.679 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cn1 ZINC000787483911 1076841875 /nfs/dbraw/zinc/84/18/75/1076841875.db2.gz BCTJLBLAUJUPTR-GDBMZVCRSA-N 1 1 423.439 2.677 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)cn1 ZINC000787483594 1076842257 /nfs/dbraw/zinc/84/22/57/1076842257.db2.gz GLXKYCAGJRUQKQ-FKVRIVCVSA-N 1 1 415.497 2.896 20 0 HFADMO CCc1ccc(CN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)C2CC2)cc1 ZINC000787484560 1076842953 /nfs/dbraw/zinc/84/29/53/1076842953.db2.gz FESHOMLPJMNHRV-UHFFFAOYSA-N 1 1 417.513 2.946 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC(c3ccsc3)CC2)cn1 ZINC000787485842 1076843416 /nfs/dbraw/zinc/84/34/16/1076843416.db2.gz QYTUUZXHVWVXKD-UHFFFAOYSA-N 1 1 409.515 2.660 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(Cc2ccccc2)CC(C)C)cn1 ZINC000787487678 1076844431 /nfs/dbraw/zinc/84/44/31/1076844431.db2.gz XVKCWLVBBQXGMK-UHFFFAOYSA-N 1 1 405.502 2.877 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(Cl)c(F)c2)cn1 ZINC000787488253 1076844466 /nfs/dbraw/zinc/84/44/66/1076844466.db2.gz VZOPLWHWNQWVCR-UHFFFAOYSA-N 1 1 415.856 2.643 20 0 HFADMO Cc1ccc([C@H](CNC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)[NH+]2CCCC2)cc1 ZINC000746688514 1076854264 /nfs/dbraw/zinc/85/42/64/1076854264.db2.gz XPAXCUVQQBGKQM-FQEVSTJZSA-N 1 1 422.554 2.947 20 0 HFADMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccc(C2CCC2)cc1 ZINC000787575542 1076869796 /nfs/dbraw/zinc/86/97/96/1076869796.db2.gz ZQGMPBLFXYZMCY-VWLOTQADSA-N 1 1 421.541 2.988 20 0 HFADMO COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H](C)CCSC)[NH+]1CCCCC1 ZINC000787584461 1076874087 /nfs/dbraw/zinc/87/40/87/1076874087.db2.gz JJLLOIDZIYZXMA-WMZOPIPTSA-N 1 1 407.580 2.596 20 0 HFADMO O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CCC(c2cccc(F)c2)CC1 ZINC000787624641 1076882331 /nfs/dbraw/zinc/88/23/31/1076882331.db2.gz YLKDZGITBMEJEK-UHFFFAOYSA-N 1 1 409.505 2.706 20 0 HFADMO O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1CCC(c2cccc(F)c2)CC1 ZINC000787624641 1076882338 /nfs/dbraw/zinc/88/23/38/1076882338.db2.gz YLKDZGITBMEJEK-UHFFFAOYSA-N 1 1 409.505 2.706 20 0 HFADMO C[N@@H+]1C[C@H]2CN(C(=O)C3(c4ccccc4)CCN(C(=O)OC(C)(C)C)CC3)C[C@H]2C1 ZINC000787631246 1076883901 /nfs/dbraw/zinc/88/39/01/1076883901.db2.gz MDAITDLFVFFPAD-KDURUIRLSA-N 1 1 413.562 2.975 20 0 HFADMO CC[C@@H](CNC(=O)C(=O)NCc1ccccc1N(C)CC)[N@H+]1CCc2ccccc2C1 ZINC000787634007 1076885552 /nfs/dbraw/zinc/88/55/52/1076885552.db2.gz XWNZLANYKSKQDT-QFIPXVFZSA-N 1 1 422.573 2.712 20 0 HFADMO CC1CC[NH+](CC(=O)Nc2ccccc2C(=O)NCCNC(=O)OC(C)(C)C)CC1 ZINC000787643364 1076894323 /nfs/dbraw/zinc/89/43/23/1076894323.db2.gz SXIVPTNPZVTSDD-UHFFFAOYSA-N 1 1 418.538 2.612 20 0 HFADMO Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000787649586 1076897620 /nfs/dbraw/zinc/89/76/20/1076897620.db2.gz BOHNXMKGZSOAQZ-MRXNPFEDSA-N 1 1 408.424 2.733 20 0 HFADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000787668362 1076904933 /nfs/dbraw/zinc/90/49/33/1076904933.db2.gz FMFITEBBTDCOQX-HKUYNNGSSA-N 1 1 409.571 2.878 20 0 HFADMO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000787672463 1076906320 /nfs/dbraw/zinc/90/63/20/1076906320.db2.gz SMFIAOOYACXHSG-DOTOQJQBSA-N 1 1 411.468 2.869 20 0 HFADMO CN1CC(=O)Nc2ccc(N[C@@H](Cc3ccccc3)C(=O)NC3CCCCC3)[nH+]c21 ZINC001170076528 1076910307 /nfs/dbraw/zinc/91/03/07/1076910307.db2.gz JNQJBKZNMMSLFX-IBGZPJMESA-N 1 1 407.518 2.942 20 0 HFADMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000787708172 1076920755 /nfs/dbraw/zinc/92/07/55/1076920755.db2.gz SFSHLXGZNCSDTH-VGSWGCGISA-N 1 1 405.539 2.934 20 0 HFADMO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000787708172 1076920759 /nfs/dbraw/zinc/92/07/59/1076920759.db2.gz SFSHLXGZNCSDTH-VGSWGCGISA-N 1 1 405.539 2.934 20 0 HFADMO C[C@H](NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1nc2ccccc2s1 ZINC000787708155 1076920809 /nfs/dbraw/zinc/92/08/09/1076920809.db2.gz RZDFWEJWLCQWPC-XHSDSOJGSA-N 1 1 402.564 2.958 20 0 HFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)C1 ZINC000787710052 1076921723 /nfs/dbraw/zinc/92/17/23/1076921723.db2.gz ZPHSOUXREWXAHL-ZSYWTGECSA-N 1 1 421.607 2.647 20 0 HFADMO C[N@H+]([C@@H]1CCN(c2ccccc2F)C1=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000787716850 1076924373 /nfs/dbraw/zinc/92/43/73/1076924373.db2.gz JXJUOBDHDNYNNH-FGSXEWAUSA-N 1 1 421.513 2.623 20 0 HFADMO C[N@@H+]([C@@H]1CCN(c2ccccc2F)C1=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000787716850 1076924374 /nfs/dbraw/zinc/92/43/74/1076924374.db2.gz JXJUOBDHDNYNNH-FGSXEWAUSA-N 1 1 421.513 2.623 20 0 HFADMO CCOc1ccccc1[C@@H](CC)NC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000787871280 1076968157 /nfs/dbraw/zinc/96/81/57/1076968157.db2.gz QXCLYPAMKVNGRR-LJQANCHMSA-N 1 1 421.501 2.858 20 0 HFADMO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000787913631 1076992661 /nfs/dbraw/zinc/99/26/61/1076992661.db2.gz WVNQQFMUVZMEBF-FPOVZHCZSA-N 1 1 403.567 2.505 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC/C=C/CNC(=O)OC(C)(C)C ZINC000788035415 1077035632 /nfs/dbraw/zinc/03/56/32/1077035632.db2.gz SRGFNDFKPDXOLG-GXLYXMFMSA-N 1 1 402.539 2.887 20 0 HFADMO Cn1cc[nH+]c1[C@@H]1CCN(CN2C(=O)C(=O)c3c2ccc(Br)c3Cl)C1 ZINC000788046103 1077040278 /nfs/dbraw/zinc/04/02/78/1077040278.db2.gz VZZFEMKGKDBIIB-SNVBAGLBSA-N 1 1 423.698 2.812 20 0 HFADMO O=C(NOC[C@H]1CCOC1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000788104273 1077049548 /nfs/dbraw/zinc/04/95/48/1077049548.db2.gz HQCRXOVULYYESI-HNNXBMFYSA-N 1 1 412.328 2.681 20 0 HFADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Nc1ccn(Cc2ccccn2)n1 ZINC000746726645 1077056819 /nfs/dbraw/zinc/05/68/19/1077056819.db2.gz RQGUGWYTHJJCMT-LJQANCHMSA-N 1 1 419.533 2.659 20 0 HFADMO Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)c2cccnc2C(F)(F)F)CC1 ZINC000788127097 1077060879 /nfs/dbraw/zinc/06/08/79/1077060879.db2.gz KINAMVNLAOHZFX-UHFFFAOYSA-N 1 1 421.419 2.910 20 0 HFADMO Cc1ccc(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1N1CCOC1=O ZINC000746733239 1077067039 /nfs/dbraw/zinc/06/70/39/1077067039.db2.gz QIIJEOUYYVQIAZ-HOTGVXAUSA-N 1 1 404.511 2.961 20 0 HFADMO O=C(c1nc(Br)sc1C1CC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000788303857 1077092403 /nfs/dbraw/zinc/09/24/03/1077092403.db2.gz AZIHCNTXTKZNQH-UHFFFAOYSA-N 1 1 400.342 2.720 20 0 HFADMO CC1(C)CC[N@H+](CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)CCS1 ZINC000788376101 1077132912 /nfs/dbraw/zinc/13/29/12/1077132912.db2.gz GABQURFIQHHBCP-UHFFFAOYSA-N 1 1 405.564 2.921 20 0 HFADMO CC1(C)CC[N@@H+](CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)CCS1 ZINC000788376101 1077132913 /nfs/dbraw/zinc/13/29/13/1077132913.db2.gz GABQURFIQHHBCP-UHFFFAOYSA-N 1 1 405.564 2.921 20 0 HFADMO CCn1c(COc2ccc(C)cc2)nn(CN(C)[C@H](C)C[NH+]2CCOCC2)c1=S ZINC000788377675 1077133999 /nfs/dbraw/zinc/13/39/99/1077133999.db2.gz ODPCTAWUJDYNPM-GOSISDBHSA-N 1 1 419.595 2.931 20 0 HFADMO COc1cccc([C@H]2[C@@H](NC(=O)C(=O)NCCSC(C)(C)C)CC[N@@H+]2C2CC2)c1 ZINC000788378426 1077135051 /nfs/dbraw/zinc/13/50/51/1077135051.db2.gz FQXCQIXWEWXGJV-OALUTQOASA-N 1 1 419.591 2.737 20 0 HFADMO COc1cccc([C@H]2[C@@H](NC(=O)C(=O)NCCSC(C)(C)C)CC[N@H+]2C2CC2)c1 ZINC000788378426 1077135052 /nfs/dbraw/zinc/13/50/52/1077135052.db2.gz FQXCQIXWEWXGJV-OALUTQOASA-N 1 1 419.591 2.737 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NCc1ccc(-c2ccccc2)o1 ZINC000788481524 1077175197 /nfs/dbraw/zinc/17/51/97/1077175197.db2.gz IRXSNTGBEBAUEG-UHFFFAOYSA-N 1 1 415.453 2.768 20 0 HFADMO C[NH+](C)[C@@H]1CCOc2c(NS(=O)(=O)c3ccc(N4CCOC4=O)cc3)cccc21 ZINC000788490869 1077178837 /nfs/dbraw/zinc/17/88/37/1077178837.db2.gz LBTVIXXIHKUFRS-GOSISDBHSA-N 1 1 417.487 2.829 20 0 HFADMO CC(C)[C@H](C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1)N1CCN(C)CC1 ZINC000788518784 1077189337 /nfs/dbraw/zinc/18/93/37/1077189337.db2.gz LJWYHDKIWRTXFX-IRLDBZIGSA-N 1 1 402.583 2.902 20 0 HFADMO C[C@@H]1C[C@@H](CCNC(=O)C(=O)NCCSC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000788546843 1077196489 /nfs/dbraw/zinc/19/64/89/1077196489.db2.gz MBUYENWLLWNKMY-GDBMZVCRSA-N 1 1 417.497 2.773 20 0 HFADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(=O)NCCSC(F)(F)F)cc1 ZINC000788548688 1077197118 /nfs/dbraw/zinc/19/71/18/1077197118.db2.gz SFTIXNOLZMOIAY-NSHDSACASA-N 1 1 400.426 2.727 20 0 HFADMO O=C1CCc2cc(OC[C@@H](O)C[NH2+][C@@H]3COCc4cccc(Cl)c43)ccc2N1 ZINC000788559971 1077201481 /nfs/dbraw/zinc/20/14/81/1077201481.db2.gz ABUJVNRETSHRBV-HNAYVOBHSA-N 1 1 402.878 2.826 20 0 HFADMO CC[C@H](CNS(=O)(=O)CCc1ccc(OC)cc1)[N@H+]1CCc2ccccc2C1 ZINC000788595309 1077216469 /nfs/dbraw/zinc/21/64/69/1077216469.db2.gz BTHCXAXBZJCHSY-OAQYLSRUSA-N 1 1 402.560 2.994 20 0 HFADMO COC(=O)c1sc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c(C)c1Cl ZINC000788597940 1077218184 /nfs/dbraw/zinc/21/81/84/1077218184.db2.gz XHFWJCRYIUDNOZ-WDEREUQCSA-N 1 1 408.973 2.895 20 0 HFADMO COC(=O)c1sc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c(C)c1Cl ZINC000788597940 1077218189 /nfs/dbraw/zinc/21/81/89/1077218189.db2.gz XHFWJCRYIUDNOZ-WDEREUQCSA-N 1 1 408.973 2.895 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)CC1 ZINC000788608045 1077222196 /nfs/dbraw/zinc/22/21/96/1077222196.db2.gz HFJOADJQZNFKEG-SFHVURJKSA-N 1 1 402.539 2.732 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)CC1 ZINC000788608045 1077222199 /nfs/dbraw/zinc/22/21/99/1077222199.db2.gz HFJOADJQZNFKEG-SFHVURJKSA-N 1 1 402.539 2.732 20 0 HFADMO COC(=O)c1sc(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(C)c1Cl ZINC000788651606 1077226742 /nfs/dbraw/zinc/22/67/42/1077226742.db2.gz JLJVVBZELOBGNM-NEPJUHHUSA-N 1 1 406.957 2.601 20 0 HFADMO C[NH+](C)[C@H](CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)c1ccco1 ZINC000788620768 1077231523 /nfs/dbraw/zinc/23/15/23/1077231523.db2.gz IGOHUAKATDZCGG-CEXWTWQISA-N 1 1 422.485 2.590 20 0 HFADMO CN(C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788687835 1077251232 /nfs/dbraw/zinc/25/12/32/1077251232.db2.gz GETRCAHRVUHRND-FCHUYYIVSA-N 1 1 406.530 2.703 20 0 HFADMO CC(C)(C)OC(=O)N1CC=C(CCNC(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000790970104 1077258856 /nfs/dbraw/zinc/25/88/56/1077258856.db2.gz FAJGPGKRMZHZNP-UHFFFAOYSA-N 1 1 403.527 2.976 20 0 HFADMO Cc1nn(C)c2nc(Cl)c(C[NH2+][C@@H]3CCN(Cc4ccc(F)cc4)C3=O)cc12 ZINC000791008430 1077266641 /nfs/dbraw/zinc/26/66/41/1077266641.db2.gz UQHXLROLGDZSOM-QGZVFWFLSA-N 1 1 401.873 2.960 20 0 HFADMO O=C([C@H](Cc1ccccc1)[NH2+][C@@H]1COCc2cccc(Cl)c21)N1CCOCC1 ZINC000788753191 1077276785 /nfs/dbraw/zinc/27/67/85/1077276785.db2.gz ZFLMDOFPSNDWJE-VQTJNVASSA-N 1 1 400.906 2.971 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000791058730 1077285376 /nfs/dbraw/zinc/28/53/76/1077285376.db2.gz FIFQIAXBGRETMV-MAUKXSAKSA-N 1 1 419.570 2.984 20 0 HFADMO CCCCCCNC(=O)[C@H]1CCC[N@H+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)C1 ZINC000788774154 1077296941 /nfs/dbraw/zinc/29/69/41/1077296941.db2.gz WIGMZHYFHUNLTP-SFTDATJTSA-N 1 1 413.562 2.970 20 0 HFADMO CCCCCCNC(=O)[C@H]1CCC[N@@H+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)C1 ZINC000788774154 1077296946 /nfs/dbraw/zinc/29/69/46/1077296946.db2.gz WIGMZHYFHUNLTP-SFTDATJTSA-N 1 1 413.562 2.970 20 0 HFADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)C1 ZINC000788777069 1077298113 /nfs/dbraw/zinc/29/81/13/1077298113.db2.gz JPHXLVYHPRVVJZ-WDSOQIARSA-N 1 1 415.534 2.797 20 0 HFADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)C1 ZINC000788777069 1077298119 /nfs/dbraw/zinc/29/81/19/1077298119.db2.gz JPHXLVYHPRVVJZ-WDSOQIARSA-N 1 1 415.534 2.797 20 0 HFADMO C[N@@H+](C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)[C@H](CCO)c1ccccc1 ZINC000788847048 1077318390 /nfs/dbraw/zinc/31/83/90/1077318390.db2.gz PDRCRONXIGCOFV-UYAOXDASSA-N 1 1 419.566 2.805 20 0 HFADMO C[C@H]1C[C@@H](C(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)CC[N@H+]1C ZINC000791196733 1077320595 /nfs/dbraw/zinc/32/05/95/1077320595.db2.gz UNJOHTRDJWYMTI-NGIQAFILSA-N 1 1 405.495 2.709 20 0 HFADMO Cc1c(Cl)c(C(=O)NCCC[N@H+](C)Cc2ccccc2)sc1S(N)(=O)=O ZINC000791199220 1077321777 /nfs/dbraw/zinc/32/17/77/1077321777.db2.gz HPBVKPNVIAXQSZ-UHFFFAOYSA-N 1 1 415.968 2.609 20 0 HFADMO O=C(COC(=O)c1c(F)cc(O)cc1F)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000746987277 1077327165 /nfs/dbraw/zinc/32/71/65/1077327165.db2.gz UNUMLMRHQIUWAD-UHFFFAOYSA-N 1 1 404.413 2.739 20 0 HFADMO CC(=O)c1cc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)ccc1Br ZINC000788921532 1077335799 /nfs/dbraw/zinc/33/57/99/1077335799.db2.gz YIXNJUXQAVPGRH-LBPRGKRZSA-N 1 1 403.342 2.804 20 0 HFADMO CCOC(=O)c1ccc(C)c(S(=O)(=O)NCc2cccnc2-n2cc[nH+]c2C)c1 ZINC000788896319 1077343190 /nfs/dbraw/zinc/34/31/90/1077343190.db2.gz NQBPRPWDPJDWFR-UHFFFAOYSA-N 1 1 414.487 2.539 20 0 HFADMO C[N@H+](CC(=O)OCc1cn(-c2ccccc2Br)nn1)[C@H]1CCSC1 ZINC000791278351 1077367665 /nfs/dbraw/zinc/36/76/65/1077367665.db2.gz HJEJAVVLYMTBOP-ZDUSSCGKSA-N 1 1 411.325 2.510 20 0 HFADMO C[N@@H+](CC(=O)OCc1cn(-c2ccccc2Br)nn1)[C@H]1CCSC1 ZINC000791278351 1077367674 /nfs/dbraw/zinc/36/76/74/1077367674.db2.gz HJEJAVVLYMTBOP-ZDUSSCGKSA-N 1 1 411.325 2.510 20 0 HFADMO CC[NH+]1CCN(c2ccc(C(=O)OCc3nnc4n3CCCCC4)cc2F)CC1 ZINC000788942108 1077372174 /nfs/dbraw/zinc/37/21/74/1077372174.db2.gz FGIVMSXPHGVNHB-UHFFFAOYSA-N 1 1 401.486 2.643 20 0 HFADMO O=C(Cc1cnc2ccccc2c1)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000788994852 1077376417 /nfs/dbraw/zinc/37/64/17/1077376417.db2.gz NGGHCZPXOXZRBO-UHFFFAOYSA-N 1 1 403.482 2.665 20 0 HFADMO COc1cccc(CN(CC[NH+](C)C)C(=O)c2cc(S(C)(=O)=O)ccc2Cl)c1 ZINC000791335003 1077377323 /nfs/dbraw/zinc/37/73/23/1077377323.db2.gz DVCHADUWEFMKON-UHFFFAOYSA-N 1 1 424.950 2.956 20 0 HFADMO Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2=O)cc1 ZINC000791311468 1077382783 /nfs/dbraw/zinc/38/27/83/1077382783.db2.gz MYDNLXJHOCXHSD-VJOYDTAOSA-N 1 1 401.532 2.878 20 0 HFADMO Cc1c(Cl)c(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)sc1S(N)(=O)=O ZINC000791349908 1077390289 /nfs/dbraw/zinc/39/02/89/1077390289.db2.gz DOFWJTFTNWULFF-UHFFFAOYSA-N 1 1 407.989 2.694 20 0 HFADMO CCC(CC)(CNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)NC(=O)OC(C)(C)C ZINC000789064958 1077395797 /nfs/dbraw/zinc/39/57/97/1077395797.db2.gz LDOCFLQEBUEODV-UHFFFAOYSA-N 1 1 414.591 2.822 20 0 HFADMO CCC(CC)(CNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)NC(=O)OC(C)(C)C ZINC000789064958 1077395801 /nfs/dbraw/zinc/39/58/01/1077395801.db2.gz LDOCFLQEBUEODV-UHFFFAOYSA-N 1 1 414.591 2.822 20 0 HFADMO C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NCc3cc4ccccc4[nH]3)cc2)CC1 ZINC000747012777 1077406787 /nfs/dbraw/zinc/40/67/87/1077406787.db2.gz CLSKHGGIYPARKS-UHFFFAOYSA-N 1 1 405.502 2.565 20 0 HFADMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1nc(Br)ccc1F ZINC000791458102 1077414262 /nfs/dbraw/zinc/41/42/62/1077414262.db2.gz DHPHVZNOYJIMCB-UHFFFAOYSA-N 1 1 400.292 2.748 20 0 HFADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)c2n[nH]c3c2CCCCC3)CC1 ZINC000789174302 1077443849 /nfs/dbraw/zinc/44/38/49/1077443849.db2.gz SSASPNVPVZXZHP-KRWDZBQOSA-N 1 1 410.518 2.741 20 0 HFADMO O=C(C1CC[NH+](CCS(=O)(=O)Cc2ccccc2)CC1)N1CCc2ccccc21 ZINC000791473257 1077444538 /nfs/dbraw/zinc/44/45/38/1077444538.db2.gz MEHZCXBVYULPLH-UHFFFAOYSA-N 1 1 412.555 2.903 20 0 HFADMO COC1(CC(=O)OCC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CCC1 ZINC000791516438 1077452525 /nfs/dbraw/zinc/45/25/25/1077452525.db2.gz CTIDHQXTUOSBHN-UHFFFAOYSA-N 1 1 410.514 2.986 20 0 HFADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)Cc2cccc(Cl)c2Cl)C1 ZINC000789246630 1077471017 /nfs/dbraw/zinc/47/10/17/1077471017.db2.gz VFEWUFWSKZEEDG-OAHLLOKOSA-N 1 1 417.333 2.552 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001086600049 1077480475 /nfs/dbraw/zinc/48/04/75/1077480475.db2.gz XKONLLRPQKBSPM-PRZIMVISSA-N 1 1 407.514 2.799 20 0 HFADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=S)NCCc3ccc(F)cc3)CC2)CC1 ZINC000789231801 1077485196 /nfs/dbraw/zinc/48/51/96/1077485196.db2.gz HKLQHNDXUXOFAE-UHFFFAOYSA-N 1 1 420.598 2.509 20 0 HFADMO Cc1ccc([C@H]2CC[N@@H+](CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)C2)c(C)c1 ZINC000791606567 1077502949 /nfs/dbraw/zinc/50/29/49/1077502949.db2.gz VCVOTKXZIBZXIT-SFHVURJKSA-N 1 1 412.534 2.769 20 0 HFADMO Cc1nc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c(C)o1 ZINC001086600404 1077506881 /nfs/dbraw/zinc/50/68/81/1077506881.db2.gz QWZANDVRAJDENU-ITVBJSIGSA-N 1 1 407.514 2.799 20 0 HFADMO Cc1nc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c(C)o1 ZINC001086600404 1077506884 /nfs/dbraw/zinc/50/68/84/1077506884.db2.gz QWZANDVRAJDENU-ITVBJSIGSA-N 1 1 407.514 2.799 20 0 HFADMO C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000789330338 1077523777 /nfs/dbraw/zinc/52/37/77/1077523777.db2.gz CVDXAKKOSHHYPH-JTQLQIEISA-N 1 1 409.399 2.752 20 0 HFADMO C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000789330338 1077523779 /nfs/dbraw/zinc/52/37/79/1077523779.db2.gz CVDXAKKOSHHYPH-JTQLQIEISA-N 1 1 409.399 2.752 20 0 HFADMO C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000789330842 1077523809 /nfs/dbraw/zinc/52/38/09/1077523809.db2.gz YVWWRCWUCRZUQF-AXFHLTTASA-N 1 1 409.399 2.750 20 0 HFADMO C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000789330842 1077523813 /nfs/dbraw/zinc/52/38/13/1077523813.db2.gz YVWWRCWUCRZUQF-AXFHLTTASA-N 1 1 409.399 2.750 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2nc(CC(C)(C)C)cs2)cn1 ZINC000789382287 1077530238 /nfs/dbraw/zinc/53/02/38/1077530238.db2.gz LBBUZLLPBISISC-UHFFFAOYSA-N 1 1 412.519 2.876 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)C2)c1 ZINC000791699347 1077532328 /nfs/dbraw/zinc/53/23/28/1077532328.db2.gz GCBGGANKEJNWSC-MCFFVMPBSA-N 1 1 415.534 2.966 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC(=O)NC(=O)NCc1cccs1 ZINC000789366811 1077540339 /nfs/dbraw/zinc/54/03/39/1077540339.db2.gz WLLUPSNLVAQHEB-CQSZACIVSA-N 1 1 416.503 2.724 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC(=O)NC(=O)NCc1cccs1 ZINC000789366811 1077540342 /nfs/dbraw/zinc/54/03/42/1077540342.db2.gz WLLUPSNLVAQHEB-CQSZACIVSA-N 1 1 416.503 2.724 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000789367458 1077540721 /nfs/dbraw/zinc/54/07/21/1077540721.db2.gz ZLUIFKPMRCCBHD-ZDUSSCGKSA-N 1 1 409.446 2.857 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000789367458 1077540723 /nfs/dbraw/zinc/54/07/23/1077540723.db2.gz ZLUIFKPMRCCBHD-ZDUSSCGKSA-N 1 1 409.446 2.857 20 0 HFADMO CC(C)(C)OC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000789370627 1077542256 /nfs/dbraw/zinc/54/22/56/1077542256.db2.gz NQEWZWISERBKQD-QGZVFWFLSA-N 1 1 424.563 2.521 20 0 HFADMO CC(C)(C)OC(=O)c1ccccc1OCC[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000789370627 1077542261 /nfs/dbraw/zinc/54/22/61/1077542261.db2.gz NQEWZWISERBKQD-QGZVFWFLSA-N 1 1 424.563 2.521 20 0 HFADMO COc1cccc(C2=NO[C@@H](C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)c1 ZINC000791753024 1077552707 /nfs/dbraw/zinc/55/27/07/1077552707.db2.gz XZUXDLPQSWLEKZ-FYYLOGMGSA-N 1 1 423.513 2.596 20 0 HFADMO CCCCNC(=O)[C@H]1CCC[N@H+](CN2C(=O)N[C@@](CCC(C)C)(C3CC3)C2=O)C1 ZINC000789425886 1077555110 /nfs/dbraw/zinc/55/51/10/1077555110.db2.gz RITGNESKOYKPFH-JTSKRJEESA-N 1 1 406.571 2.709 20 0 HFADMO CCCCNC(=O)[C@H]1CCC[N@@H+](CN2C(=O)N[C@@](CCC(C)C)(C3CC3)C2=O)C1 ZINC000789425886 1077555114 /nfs/dbraw/zinc/55/51/14/1077555114.db2.gz RITGNESKOYKPFH-JTSKRJEESA-N 1 1 406.571 2.709 20 0 HFADMO C[C@H](CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)NC(=O)OC(C)(C)C ZINC000791790743 1077559092 /nfs/dbraw/zinc/55/90/92/1077559092.db2.gz NGOBSJQLVNNWET-MRXNPFEDSA-N 1 1 406.527 2.596 20 0 HFADMO Cc1nc(Cl)ccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000789461336 1077583461 /nfs/dbraw/zinc/58/34/61/1077583461.db2.gz BOLATYBPPAUSIY-QGZVFWFLSA-N 1 1 400.910 2.663 20 0 HFADMO Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)Nc3ccc(Cl)nc3C)CC2)oc1C ZINC000789493313 1077594878 /nfs/dbraw/zinc/59/48/78/1077594878.db2.gz VYWBKCWXAZKLJM-UHFFFAOYSA-N 1 1 419.913 2.615 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@@H](c2ccccc2)N2CCSCC2)CC1 ZINC000791930680 1077597732 /nfs/dbraw/zinc/59/77/32/1077597732.db2.gz MRZSZHHVOPQGEQ-OAQYLSRUSA-N 1 1 405.608 2.736 20 0 HFADMO O=c1oc2cc(I)ccc2n1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000789509148 1077601712 /nfs/dbraw/zinc/60/17/12/1077601712.db2.gz SZEQHUHIHMMDCG-OCCSQVGLSA-N 1 1 414.243 2.800 20 0 HFADMO O=c1oc2cc(I)ccc2n1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000789509148 1077601716 /nfs/dbraw/zinc/60/17/16/1077601716.db2.gz SZEQHUHIHMMDCG-OCCSQVGLSA-N 1 1 414.243 2.800 20 0 HFADMO O=c1oc2cc(I)ccc2n1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000789509146 1077601769 /nfs/dbraw/zinc/60/17/69/1077601769.db2.gz SZEQHUHIHMMDCG-GXTWGEPZSA-N 1 1 414.243 2.800 20 0 HFADMO O=c1oc2cc(I)ccc2n1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000789509146 1077601774 /nfs/dbraw/zinc/60/17/74/1077601774.db2.gz SZEQHUHIHMMDCG-GXTWGEPZSA-N 1 1 414.243 2.800 20 0 HFADMO CCOC(=O)C1=C(C[NH2+]C(C)(C)c2ccc(OC(F)(F)F)cc2)NC(=O)N[C@H]1C ZINC000789513144 1077604776 /nfs/dbraw/zinc/60/47/76/1077604776.db2.gz HNHUGRZTYUYJCM-NSHDSACASA-N 1 1 415.412 2.928 20 0 HFADMO C[N@@H+](C[C@H](O)COCc1ccccc1Cl)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789519191 1077613442 /nfs/dbraw/zinc/61/34/42/1077613442.db2.gz XOSQMLNUHLCPHT-FPOVZHCZSA-N 1 1 402.922 2.950 20 0 HFADMO COC(=O)/C=C/c1ccc(OCC[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C2=O)cc1 ZINC000789521193 1077615024 /nfs/dbraw/zinc/61/50/24/1077615024.db2.gz LLHPHTPSGHSTPI-KCQSEKJDSA-N 1 1 408.498 2.985 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)CC1 ZINC000791950095 1077626872 /nfs/dbraw/zinc/62/68/72/1077626872.db2.gz KTMXNVBLLUXFFG-UHFFFAOYSA-N 1 1 415.490 2.686 20 0 HFADMO CCOC(=O)c1ccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000792011016 1077648900 /nfs/dbraw/zinc/64/89/00/1077648900.db2.gz CWEJOMGUCVCNMA-UHFFFAOYSA-N 1 1 405.495 2.745 20 0 HFADMO CCCCC[C@@H]([NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C(=O)OC ZINC000789574712 1077657877 /nfs/dbraw/zinc/65/78/77/1077657877.db2.gz GCIHIRCCLXQQPP-LJQANCHMSA-N 1 1 412.552 2.560 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000792052926 1077659444 /nfs/dbraw/zinc/65/94/44/1077659444.db2.gz FSOXAFQLHCEBOQ-JOCHJYFZSA-N 1 1 411.587 2.983 20 0 HFADMO CC(=O)Nc1ccc(C)c(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792056650 1077661216 /nfs/dbraw/zinc/66/12/16/1077661216.db2.gz DDLYYUYACPMHRN-UHFFFAOYSA-N 1 1 404.511 2.835 20 0 HFADMO Cc1ccc(-c2nnco2)cc1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792056345 1077661776 /nfs/dbraw/zinc/66/17/76/1077661776.db2.gz GPZKMLWRXKKNPN-UHFFFAOYSA-N 1 1 415.494 2.926 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2Cc3cc(Br)ccc3O2)cn1 ZINC000792074852 1077681003 /nfs/dbraw/zinc/68/10/03/1077681003.db2.gz GIRXGMBYBGEMNM-KRWDZBQOSA-N 1 1 413.275 2.958 20 0 HFADMO CC(C)(C)OC(=O)NCCC(N)=[NH+]OCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000789650372 1077719350 /nfs/dbraw/zinc/71/93/50/1077719350.db2.gz AKVNJLQIDJHIPR-UHFFFAOYSA-N 1 1 418.538 2.881 20 0 HFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000792138390 1077719717 /nfs/dbraw/zinc/71/97/17/1077719717.db2.gz QGUIGPPMFHBYPB-KZNAEPCWSA-N 1 1 412.575 2.575 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@H]2C[C@]23CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000792161434 1077727215 /nfs/dbraw/zinc/72/72/15/1077727215.db2.gz SVBFMKHZHBKHBU-GCJKJVERSA-N 1 1 409.571 2.593 20 0 HFADMO CC(C)CC[C@H](NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Cl)cc1 ZINC000789692573 1077730702 /nfs/dbraw/zinc/73/07/02/1077730702.db2.gz AHSGZHTVBBSNHD-UFYCRDLUSA-N 1 1 421.969 2.913 20 0 HFADMO Cc1ccc(N2CCC[N@@H+](CCN(Cc3ccccc3)S(C)(=O)=O)CC2)cc1 ZINC000792208152 1077738990 /nfs/dbraw/zinc/73/89/90/1077738990.db2.gz KTPGLRFBACBRMU-UHFFFAOYSA-N 1 1 401.576 2.969 20 0 HFADMO Cn1cc(-c2cc(CNc3nc4ccccc4nc3N3CC[NH+](C)CC3)ccn2)cn1 ZINC001170115890 1077740094 /nfs/dbraw/zinc/74/00/94/1077740094.db2.gz OQFXWFFWYRORTF-UHFFFAOYSA-N 1 1 414.517 2.789 20 0 HFADMO C[C@H](CNC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)C[NH+]1CCOCC1 ZINC000792193899 1077740140 /nfs/dbraw/zinc/74/01/40/1077740140.db2.gz LPLTUFBYIBQDBZ-VQIMIIECSA-N 1 1 423.529 2.519 20 0 HFADMO C[C@@H](CNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000792195578 1077740899 /nfs/dbraw/zinc/74/08/99/1077740899.db2.gz VRVUSQPQAOZJTH-WMZOPIPTSA-N 1 1 422.595 2.816 20 0 HFADMO C[C@@H](CNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000792195578 1077740907 /nfs/dbraw/zinc/74/09/07/1077740907.db2.gz VRVUSQPQAOZJTH-WMZOPIPTSA-N 1 1 422.595 2.816 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000792222673 1077748391 /nfs/dbraw/zinc/74/83/91/1077748391.db2.gz IWRSOFXQTRFBTE-QSAZIKIQSA-N 1 1 423.513 2.976 20 0 HFADMO CN(CCOCc1ccccc1)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792223175 1077749149 /nfs/dbraw/zinc/74/91/49/1077749149.db2.gz OJMLNWUGROHQJF-UHFFFAOYSA-N 1 1 405.539 2.604 20 0 HFADMO CN(C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000792230644 1077754110 /nfs/dbraw/zinc/75/41/10/1077754110.db2.gz NQKGUPJIQGEXDR-GOTSBHOMSA-N 1 1 420.557 2.951 20 0 HFADMO C[C@@H](c1nc(-c2cccs2)no1)N1CC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792232310 1077756057 /nfs/dbraw/zinc/75/60/57/1077756057.db2.gz PBHBNVRACSEJKB-LSDHHAIUSA-N 1 1 402.520 2.963 20 0 HFADMO Cc1cc(C)c(N2CC[C@H](NC(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)C2=O)c(C)c1 ZINC000789722899 1077759232 /nfs/dbraw/zinc/75/92/32/1077759232.db2.gz BUOXFMHWGIEEFV-FCHUYYIVSA-N 1 1 421.541 2.734 20 0 HFADMO Cc1cc(C)c(N2CC[C@H](NC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C2=O)c(C)c1 ZINC000789722899 1077759238 /nfs/dbraw/zinc/75/92/38/1077759238.db2.gz BUOXFMHWGIEEFV-FCHUYYIVSA-N 1 1 421.541 2.734 20 0 HFADMO COc1ccc(C[C@@H](C)CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000792284759 1077774692 /nfs/dbraw/zinc/77/46/92/1077774692.db2.gz JAPJGQFVGFPBOA-GOSISDBHSA-N 1 1 419.566 2.933 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@H]3CC[N@@H+](C)[C@H]3c3ccccc3)C2)c1 ZINC000792284767 1077774954 /nfs/dbraw/zinc/77/49/54/1077774954.db2.gz JESMGHCHFPSLNP-NYVOZVTQSA-N 1 1 409.486 2.758 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCc3c4ccccc4[nH]c3C2)CC1 ZINC000792284405 1077775128 /nfs/dbraw/zinc/77/51/28/1077775128.db2.gz HCTSTZPZGBDIHR-UHFFFAOYSA-N 1 1 412.534 2.995 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@@H]3CCC[N@@H+](CC(C)C)C3)C2)c1 ZINC000792265425 1077786973 /nfs/dbraw/zinc/78/69/73/1077786973.db2.gz XGQHWNKZVSPASO-KKSFZXQISA-N 1 1 403.523 2.681 20 0 HFADMO CO[C@@H]1Cc2ccc(NC(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)cc2C1 ZINC000792313485 1077803071 /nfs/dbraw/zinc/80/30/71/1077803071.db2.gz GXGLVGBMMPPCRQ-LJQANCHMSA-N 1 1 403.523 2.682 20 0 HFADMO C[N@@H+](Cc1cc2ccccc2nc1N1CCOCC1)C1CCN(c2cnccn2)CC1 ZINC000789772224 1077808016 /nfs/dbraw/zinc/80/80/16/1077808016.db2.gz XCRCZAVUQWYUIW-UHFFFAOYSA-N 1 1 418.545 2.962 20 0 HFADMO C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000792347386 1077810491 /nfs/dbraw/zinc/81/04/91/1077810491.db2.gz KGKKLSSSPVYCFR-KRWDZBQOSA-N 1 1 409.534 2.764 20 0 HFADMO CCn1cc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3cc(C)ccc3n2)cn1 ZINC000792364240 1077816817 /nfs/dbraw/zinc/81/68/17/1077816817.db2.gz FHTWUTGWLUEDQG-JOCHJYFZSA-N 1 1 417.513 2.955 20 0 HFADMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(SC(F)F)nc1 ZINC000792366077 1077817033 /nfs/dbraw/zinc/81/70/33/1077817033.db2.gz CSRSMDUJBQSVCZ-OAHLLOKOSA-N 1 1 420.485 2.973 20 0 HFADMO Cc1nnc(-c2ccc(NC(=O)C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)o1 ZINC000792366814 1077817876 /nfs/dbraw/zinc/81/78/76/1077817876.db2.gz NIZJVKKUEMXPET-GOSISDBHSA-N 1 1 419.485 2.622 20 0 HFADMO CN(CCOc1ccccc1F)C(=O)C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000792385274 1077829656 /nfs/dbraw/zinc/82/96/56/1077829656.db2.gz KEOUQGOROMUPSG-UHFFFAOYSA-N 1 1 405.445 2.740 20 0 HFADMO COc1ccc(CNC(=O)[C@H](C)[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc1OC ZINC000792387860 1077830365 /nfs/dbraw/zinc/83/03/65/1077830365.db2.gz HXHKQOVOUDHYTN-HNNXBMFYSA-N 1 1 417.481 2.786 20 0 HFADMO CCn1cc([C@H](O)C[N@@H+](CCn2cnc3ccccc3c2=O)Cc2ccccc2)cn1 ZINC000792378501 1077844102 /nfs/dbraw/zinc/84/41/02/1077844102.db2.gz QAAOIANBDDIJGH-HSZRJFAPSA-N 1 1 417.513 2.849 20 0 HFADMO C[C@@H](OC(=O)c1cc[nH]c1C1CC1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000792428624 1077851430 /nfs/dbraw/zinc/85/14/30/1077851430.db2.gz JEDCDCJGCQNCMR-MRXNPFEDSA-N 1 1 411.502 2.586 20 0 HFADMO CCOC(=O)C1C(C[NH2+][C@@]2(CC)CCOC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000792430206 1077851447 /nfs/dbraw/zinc/85/14/47/1077851447.db2.gz HLMWWVPOJIRXDG-XLIONFOSSA-N 1 1 407.898 2.670 20 0 HFADMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1nc(Br)cs1 ZINC000792441374 1077852053 /nfs/dbraw/zinc/85/20/53/1077852053.db2.gz PGLHFJASMMOSMK-AWEZNQCLSA-N 1 1 410.337 2.792 20 0 HFADMO CCNC(=O)CN(C)Cn1nc([C@@H](C)[NH+]2CCCCC2)n(-c2ccccc2)c1=S ZINC000747073976 1077854378 /nfs/dbraw/zinc/85/43/78/1077854378.db2.gz KVELBDJADGHXFS-QGZVFWFLSA-N 1 1 416.595 2.976 20 0 HFADMO COCC[N@@H+](CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)[C@H]1CC[C@H](C)C1 ZINC000792461984 1077858542 /nfs/dbraw/zinc/85/85/42/1077858542.db2.gz BKSOSQRPAODVCJ-PXNSSMCTSA-N 1 1 419.541 2.814 20 0 HFADMO COCC[N@@H+](CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)[C@@H]1CC[C@@H](C)C1 ZINC000792461990 1077858577 /nfs/dbraw/zinc/85/85/77/1077858577.db2.gz BKSOSQRPAODVCJ-YLJYHZDGSA-N 1 1 419.541 2.814 20 0 HFADMO O=C(CN1C(=S)N=NC1c1cccs1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792497158 1077867480 /nfs/dbraw/zinc/86/74/80/1077867480.db2.gz YXXAERWSQKJPAY-INIZCTEOSA-N 1 1 413.572 2.934 20 0 HFADMO COc1cc(OC)cc(N(C)C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792475618 1077874116 /nfs/dbraw/zinc/87/41/16/1077874116.db2.gz MHYXUHYQXXMEKH-UHFFFAOYSA-N 1 1 407.511 2.609 20 0 HFADMO CCCCNC(=O)OC[C@@H]1CCCC[N@H+]1C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001170218964 1077910232 /nfs/dbraw/zinc/91/02/32/1077910232.db2.gz XLDSGSSXUCYXHR-DLBZAZTESA-N 1 1 401.548 2.595 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@@H+]1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001170274940 1077926225 /nfs/dbraw/zinc/92/62/25/1077926225.db2.gz SZZKIQYKFDEGCE-XCBAANBCSA-N 1 1 414.937 2.970 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@H+]1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001170274940 1077926226 /nfs/dbraw/zinc/92/62/26/1077926226.db2.gz SZZKIQYKFDEGCE-XCBAANBCSA-N 1 1 414.937 2.970 20 0 HFADMO C[C@@H](Cc1ccccc1Cl)[N@@H+]1Cc2ccnn2C[C@H](COCC(=O)N(C)C)C1 ZINC001170275963 1077926914 /nfs/dbraw/zinc/92/69/14/1077926914.db2.gz KSABKSMAJBYMBN-DLBZAZTESA-N 1 1 404.942 2.704 20 0 HFADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)C1 ZINC000790048949 1077929206 /nfs/dbraw/zinc/92/92/06/1077929206.db2.gz BVIPCSRLOZQFDD-NRFANRHFSA-N 1 1 414.594 2.526 20 0 HFADMO C[C@@H](Cc1ccccc1Cl)[N@H+]1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001170284476 1077937626 /nfs/dbraw/zinc/93/76/26/1077937626.db2.gz OBJALBYOHBVKMY-IRXDYDNUSA-N 1 1 424.936 2.820 20 0 HFADMO C[C@@H](Cc1ccccc1Cl)[N@@H+]1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001170284476 1077937628 /nfs/dbraw/zinc/93/76/28/1077937628.db2.gz OBJALBYOHBVKMY-IRXDYDNUSA-N 1 1 424.936 2.820 20 0 HFADMO NC(=O)CC[N@@H+](C[C@H](O)COc1cccc2[nH]ccc21)[C@@H]1CCOc2ccccc21 ZINC001170290295 1077938664 /nfs/dbraw/zinc/93/86/64/1077938664.db2.gz JPYCOUWGVICQJS-OXJNMPFZSA-N 1 1 409.486 2.609 20 0 HFADMO Cc1nnnn1/C(=C/c1ccccc1)C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000772813349 1077955595 /nfs/dbraw/zinc/95/55/95/1077955595.db2.gz ZXGRVHQNCIVSNK-XSFVSMFZSA-N 1 1 404.474 2.753 20 0 HFADMO COc1ccc2c(C)c(CCC(=O)N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)c(=O)oc2c1 ZINC000790122933 1077958679 /nfs/dbraw/zinc/95/86/79/1077958679.db2.gz VTHPJHGDKQVKPT-IYBDPMFKSA-N 1 1 416.518 2.610 20 0 HFADMO COc1ccc2c(C)c(CCC(=O)N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c(=O)oc2c1 ZINC000790122933 1077958680 /nfs/dbraw/zinc/95/86/80/1077958680.db2.gz VTHPJHGDKQVKPT-IYBDPMFKSA-N 1 1 416.518 2.610 20 0 HFADMO CN(C)c1ccc(NC(=O)CC[NH+]2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000790124521 1077958940 /nfs/dbraw/zinc/95/89/40/1077958940.db2.gz NVNHSXULWKYWNV-UHFFFAOYSA-N 1 1 416.472 2.817 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)C[C@H](C)O1 ZINC000790125837 1077959084 /nfs/dbraw/zinc/95/90/84/1077959084.db2.gz GHDZNARJUIGQFH-KSZLIROESA-N 1 1 409.571 2.591 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)C[C@H](C)O1 ZINC000790125837 1077959087 /nfs/dbraw/zinc/95/90/87/1077959087.db2.gz GHDZNARJUIGQFH-KSZLIROESA-N 1 1 409.571 2.591 20 0 HFADMO CCOc1ccccc1C(=O)N1CC[NH+](CCC(=O)Nc2ccc(N(C)C)cc2)CC1 ZINC000790125383 1077959337 /nfs/dbraw/zinc/95/93/37/1077959337.db2.gz VPIUDIWMKUAQFS-UHFFFAOYSA-N 1 1 424.545 2.938 20 0 HFADMO CC(C)c1[nH+]ccn1CCNC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1 ZINC000746884827 1077965050 /nfs/dbraw/zinc/96/50/50/1077965050.db2.gz QLNDBVQWCXNEMI-UHFFFAOYSA-N 1 1 413.503 2.780 20 0 HFADMO Cc1cc(=O)oc2cc(OCC(=O)N3CCC[C@@H]3C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)ccc12 ZINC000746886444 1077968772 /nfs/dbraw/zinc/96/87/72/1077968772.db2.gz NINUEOJYWQEBMV-FGTMMUONSA-N 1 1 414.502 2.580 20 0 HFADMO Cc1cc(=O)oc2cc(OCC(=O)N3CCC[C@@H]3C[N@H+]3C[C@@H](C)O[C@@H](C)C3)ccc12 ZINC000746886444 1077968773 /nfs/dbraw/zinc/96/87/73/1077968773.db2.gz NINUEOJYWQEBMV-FGTMMUONSA-N 1 1 414.502 2.580 20 0 HFADMO CO[C@@H]1C[N@H+](Cn2nc(-c3ccc(Br)cc3Cl)nc2C)C[C@@H]1OC ZINC000792711249 1077971889 /nfs/dbraw/zinc/97/18/89/1077971889.db2.gz ZNUUONLHDPRLDW-GASCZTMLSA-N 1 1 415.719 2.973 20 0 HFADMO CO[C@@H]1C[N@@H+](Cn2nc(-c3ccc(Br)cc3Cl)nc2C)C[C@@H]1OC ZINC000792711249 1077971891 /nfs/dbraw/zinc/97/18/91/1077971891.db2.gz ZNUUONLHDPRLDW-GASCZTMLSA-N 1 1 415.719 2.973 20 0 HFADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)Cc2ccc(Cl)cn2)CC1 ZINC000792711814 1077972119 /nfs/dbraw/zinc/97/21/19/1077972119.db2.gz NWWVKCAYPFWENG-INIZCTEOSA-N 1 1 401.894 2.726 20 0 HFADMO CCc1nn(C)c(CC)c1CC(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000790249064 1077976986 /nfs/dbraw/zinc/97/69/86/1077976986.db2.gz AYLIJNWKTCLUHM-UHFFFAOYSA-N 1 1 405.546 2.980 20 0 HFADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2cc(Cl)cc(F)c2Br)CC1 ZINC000792700888 1077978171 /nfs/dbraw/zinc/97/81/71/1077978171.db2.gz WSDVFQXQCZVWLU-JTQLQIEISA-N 1 1 421.694 2.951 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H](CO)Cc2ccc(F)c(F)c2)cn1 ZINC000790234570 1077982291 /nfs/dbraw/zinc/98/22/91/1077982291.db2.gz JCXIQGFZKBCEJI-KRWDZBQOSA-N 1 1 415.444 2.504 20 0 HFADMO C[C@@H]1CSCC[N@H+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)C1 ZINC000792726556 1077988791 /nfs/dbraw/zinc/98/87/91/1077988791.db2.gz SPHSJWVYLLBPRF-SJCJKPOMSA-N 1 1 412.353 2.859 20 0 HFADMO C[C@@H]1CSCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)C1 ZINC000792726556 1077988795 /nfs/dbraw/zinc/98/87/95/1077988795.db2.gz SPHSJWVYLLBPRF-SJCJKPOMSA-N 1 1 412.353 2.859 20 0 HFADMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000790271761 1077992244 /nfs/dbraw/zinc/99/22/44/1077992244.db2.gz ASTWOURJPORYQH-NXHRZFHOSA-N 1 1 409.452 2.764 20 0 HFADMO O=C(CC[N@H+]1CCC[C@H](Cc2ccccc2)C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000772752553 1077992584 /nfs/dbraw/zinc/99/25/84/1077992584.db2.gz YOERXQYPWOOBTC-LJQANCHMSA-N 1 1 412.534 2.617 20 0 HFADMO C[C@@](O)(C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000792881776 1078016576 /nfs/dbraw/zinc/01/65/76/1078016576.db2.gz ARDBCGFRICZZLY-OAQYLSRUSA-N 1 1 424.513 2.788 20 0 HFADMO COc1cc(Cl)c(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)cc1OC ZINC000790370755 1078016560 /nfs/dbraw/zinc/01/65/60/1078016560.db2.gz RIOHSJXGUXQDKA-UHFFFAOYSA-N 1 1 422.894 2.725 20 0 HFADMO C[C@@](O)(C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000792881776 1078016582 /nfs/dbraw/zinc/01/65/82/1078016582.db2.gz ARDBCGFRICZZLY-OAQYLSRUSA-N 1 1 424.513 2.788 20 0 HFADMO COc1ccccc1[C@@H](CNC(=O)NCC[N@@H+]1CC=CCC1)NC(=O)OC(C)(C)C ZINC000792885301 1078016982 /nfs/dbraw/zinc/01/69/82/1078016982.db2.gz GNYPGTWQHWAXKV-GOSISDBHSA-N 1 1 418.538 2.822 20 0 HFADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)CCN(C)C(=O)OCc2ccccc2)C[C@@H](C)O1 ZINC000792896836 1078018940 /nfs/dbraw/zinc/01/89/40/1078018940.db2.gz FJJKXQDQSNGTMB-QZTJIDSGSA-N 1 1 405.539 2.649 20 0 HFADMO CN1CC[N@@H+](CCC(=O)Nc2ccccc2C(=O)NC2CC2)C[C@H]1Cc1ccccc1 ZINC000792939624 1078021735 /nfs/dbraw/zinc/02/17/35/1078021735.db2.gz HNDORAJBDZUTNG-OAQYLSRUSA-N 1 1 420.557 2.766 20 0 HFADMO C[N@@H+]1CCN(CCC(=O)Nc2ccccc2C(=O)NC2CC2)C[C@H]1Cc1ccccc1 ZINC000792939624 1078021739 /nfs/dbraw/zinc/02/17/39/1078021739.db2.gz HNDORAJBDZUTNG-OAQYLSRUSA-N 1 1 420.557 2.766 20 0 HFADMO C[N@H+]1CCN(CCC(=O)Nc2ccccc2C(=O)NC2CC2)C[C@H]1Cc1ccccc1 ZINC000792939624 1078021745 /nfs/dbraw/zinc/02/17/45/1078021745.db2.gz HNDORAJBDZUTNG-OAQYLSRUSA-N 1 1 420.557 2.766 20 0 HFADMO CC(C)NC(=O)c1ccccc1NC(=O)CN1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000792939639 1078021981 /nfs/dbraw/zinc/02/19/81/1078021981.db2.gz HPNMCZRXDIQKSJ-HXUWFJFHSA-N 1 1 408.546 2.622 20 0 HFADMO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+](C)C(C)(C)c2ccccc2)C1=O ZINC000792924828 1078027380 /nfs/dbraw/zinc/02/73/80/1078027380.db2.gz JEJQVIVVAPKSDS-QHCPKHFHSA-N 1 1 408.502 2.742 20 0 HFADMO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+](C)C(C)(C)c2ccccc2)C1=O ZINC000792924828 1078027385 /nfs/dbraw/zinc/02/73/85/1078027385.db2.gz JEJQVIVVAPKSDS-QHCPKHFHSA-N 1 1 408.502 2.742 20 0 HFADMO CCOC(=O)[C@@H]1CCC[N@H+](Cn2ncc3c2ccc(Br)c3C(=O)OC)C1 ZINC000790440519 1078032274 /nfs/dbraw/zinc/03/22/74/1078032274.db2.gz XFDPBSYUUVSGDR-GFCCVEGCSA-N 1 1 424.295 2.818 20 0 HFADMO CCOC(=O)[C@@H]1CCC[N@@H+](Cn2ncc3c2ccc(Br)c3C(=O)OC)C1 ZINC000790440519 1078032276 /nfs/dbraw/zinc/03/22/76/1078032276.db2.gz XFDPBSYUUVSGDR-GFCCVEGCSA-N 1 1 424.295 2.818 20 0 HFADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)Nc1cccc(Br)n1 ZINC000792949894 1078033337 /nfs/dbraw/zinc/03/33/37/1078033337.db2.gz AXYUKYPANARWMX-UHFFFAOYSA-N 1 1 419.323 2.939 20 0 HFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792952403 1078033843 /nfs/dbraw/zinc/03/38/43/1078033843.db2.gz HQZUEPZMVQXSEG-OKILXGFUSA-N 1 1 411.344 2.657 20 0 HFADMO COCC[N@H+](CN1C(=O)N[C@](C)(Cc2ccc(OC)cc2)C1=O)[C@@H]1CC[C@@H](C)C1 ZINC000790477056 1078040120 /nfs/dbraw/zinc/04/01/20/1078040120.db2.gz FGNYKKFEHVALAP-RADWXHQJSA-N 1 1 403.523 2.643 20 0 HFADMO COCC[N@@H+](CN1C(=O)N[C@](C)(Cc2ccc(OC)cc2)C1=O)[C@@H]1CC[C@@H](C)C1 ZINC000790477056 1078040125 /nfs/dbraw/zinc/04/01/25/1078040125.db2.gz FGNYKKFEHVALAP-RADWXHQJSA-N 1 1 403.523 2.643 20 0 HFADMO C[C@H](NC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1nnnn1C1CC1 ZINC000790479671 1078040976 /nfs/dbraw/zinc/04/09/76/1078040976.db2.gz QGPYMFRDULLONS-LWCVALJOSA-N 1 1 409.538 2.669 20 0 HFADMO C[C@@H](CNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000792990242 1078042275 /nfs/dbraw/zinc/04/22/75/1078042275.db2.gz SINGTOFAVZOKLW-PKOBYXMFSA-N 1 1 402.539 2.817 20 0 HFADMO Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc1Br ZINC000793019829 1078042391 /nfs/dbraw/zinc/04/23/91/1078042391.db2.gz VRFDTTJEBNFRAQ-KGLIPLIRSA-N 1 1 423.355 2.860 20 0 HFADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000806254228 1079522047 /nfs/dbraw/zinc/52/20/47/1079522047.db2.gz RENBSQAUMFBGRT-RTWAWAEBSA-N 1 1 421.557 2.724 20 0 HFADMO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc3ccccc3)C1)CCC2 ZINC000806299383 1079551899 /nfs/dbraw/zinc/55/18/99/1079551899.db2.gz XZDASHJSVGLVKL-RTWAWAEBSA-N 1 1 423.561 2.691 20 0 HFADMO CSCC[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000806310484 1079565441 /nfs/dbraw/zinc/56/54/41/1079565441.db2.gz BREOWLMIDHQDOI-CZUORRHYSA-N 1 1 417.497 2.654 20 0 HFADMO CSCC[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000806310484 1079565445 /nfs/dbraw/zinc/56/54/45/1079565445.db2.gz BREOWLMIDHQDOI-CZUORRHYSA-N 1 1 417.497 2.654 20 0 HFADMO COC[C@]1(CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)CCCN1C(=O)OC(C)(C)C ZINC000806295417 1079584287 /nfs/dbraw/zinc/58/42/87/1079584287.db2.gz POPDWXSZSKSIAY-IIBYNOLFSA-N 1 1 424.542 2.598 20 0 HFADMO CCCCC[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(C)(C)C ZINC000806321266 1079592030 /nfs/dbraw/zinc/59/20/30/1079592030.db2.gz SKUXKMQTQWIINT-VQTJNVASSA-N 1 1 408.631 2.725 20 0 HFADMO CCCCC[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C(C)(C)C ZINC000806321266 1079592034 /nfs/dbraw/zinc/59/20/34/1079592034.db2.gz SKUXKMQTQWIINT-VQTJNVASSA-N 1 1 408.631 2.725 20 0 HFADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)C1 ZINC000806321836 1079593001 /nfs/dbraw/zinc/59/30/01/1079593001.db2.gz AVIHDTQBZUIZMW-UXHICEINSA-N 1 1 424.586 2.576 20 0 HFADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)[C@H]2Oc3ccccc3O[C@H]2C)CC1 ZINC000806333292 1079603717 /nfs/dbraw/zinc/60/37/17/1079603717.db2.gz NZEKBMJCOXYDCQ-STSQHVNTSA-N 1 1 424.497 2.664 20 0 HFADMO CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000806354026 1079625721 /nfs/dbraw/zinc/62/57/21/1079625721.db2.gz SFJLLZRLQOFBNQ-QTXGHNMQSA-N 1 1 408.568 2.852 20 0 HFADMO CSc1nc2nc(C)c(CC(=O)N[C@]3(C)CC[N@@H+](Cc4ccccc4)C3)c(C)n2n1 ZINC001130610499 1079630014 /nfs/dbraw/zinc/63/00/14/1079630014.db2.gz RMLMAJBVPSFRRL-JOCHJYFZSA-N 1 1 424.574 2.786 20 0 HFADMO CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000806429206 1079673982 /nfs/dbraw/zinc/67/39/82/1079673982.db2.gz REGADHUBTPTJSC-ICSRJNTNSA-N 1 1 406.571 2.903 20 0 HFADMO CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000806429208 1079674044 /nfs/dbraw/zinc/67/40/44/1079674044.db2.gz REGADHUBTPTJSC-UYAOXDASSA-N 1 1 406.571 2.903 20 0 HFADMO Cn1ncc(NC(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1C1CC1 ZINC000806428424 1079674693 /nfs/dbraw/zinc/67/46/93/1079674693.db2.gz HAXBNPJUFRDYMX-FQEVSTJZSA-N 1 1 408.550 2.722 20 0 HFADMO CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000806434394 1079680230 /nfs/dbraw/zinc/68/02/30/1079680230.db2.gz KFNJTQCQADBNBU-PMACEKPBSA-N 1 1 402.539 2.961 20 0 HFADMO C[C@@]1(C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)CC(c2ccccc2Cl)=NO1 ZINC000806434581 1079682482 /nfs/dbraw/zinc/68/24/82/1079682482.db2.gz OXMIXIMPINRTEN-IERDGZPVSA-N 1 1 405.926 2.936 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)N[C@@H](C2CC2)C(F)(F)F)CC1 ZINC000806444937 1079716109 /nfs/dbraw/zinc/71/61/09/1079716109.db2.gz IFZWJCDAQOHUTM-AWEZNQCLSA-N 1 1 408.465 2.569 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCCC[C@@H]2COC(=O)NC(C)C)cn1 ZINC000806494067 1079744613 /nfs/dbraw/zinc/74/46/13/1079744613.db2.gz BKQYKKVQBLCMLI-GOSISDBHSA-N 1 1 414.510 2.774 20 0 HFADMO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000806495573 1079747531 /nfs/dbraw/zinc/74/75/31/1079747531.db2.gz UHFGIKJZTJXYGB-SFHVURJKSA-N 1 1 414.510 2.776 20 0 HFADMO Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC001130652039 1079751990 /nfs/dbraw/zinc/75/19/90/1079751990.db2.gz ZCOSAYWUXJRGGX-UHFFFAOYSA-N 1 1 408.424 2.711 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CCCC[C@H]1COC(=O)NC(C)C ZINC000806506294 1079755836 /nfs/dbraw/zinc/75/58/36/1079755836.db2.gz OWJLWDGSABYOCE-SFHVURJKSA-N 1 1 414.510 2.774 20 0 HFADMO COC(=O)[C@@]1(NC(=O)c2cc(Cl)ncc2F)CCC[N@H+](Cc2ccccc2)C1 ZINC001130660617 1079807873 /nfs/dbraw/zinc/80/78/73/1079807873.db2.gz KGBSYGWSLBTIAT-HXUWFJFHSA-N 1 1 405.857 2.812 20 0 HFADMO COC(=O)[C@@]1(NC(=O)c2cc(Cl)ncc2F)CCC[N@@H+](Cc2ccccc2)C1 ZINC001130660617 1079807884 /nfs/dbraw/zinc/80/78/84/1079807884.db2.gz KGBSYGWSLBTIAT-HXUWFJFHSA-N 1 1 405.857 2.812 20 0 HFADMO COC(=O)[C@]1(NC(=O)c2cc(Br)co2)CCC[N@H+](Cc2ccccc2)C1 ZINC001130660568 1079808060 /nfs/dbraw/zinc/80/80/60/1079808060.db2.gz IKBKQMQNLQERFL-IBGZPJMESA-N 1 1 421.291 2.980 20 0 HFADMO COC(=O)[C@]1(NC(=O)c2cc(Br)co2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001130660568 1079808068 /nfs/dbraw/zinc/80/80/68/1079808068.db2.gz IKBKQMQNLQERFL-IBGZPJMESA-N 1 1 421.291 2.980 20 0 HFADMO COC(=O)[C@]1(NC(=O)c2cccc3ncn(C)c32)CCC[N@@H+](Cc2ccccc2)C1 ZINC001130660547 1079808191 /nfs/dbraw/zinc/80/81/91/1079808191.db2.gz HSUVHJWPHOYRSO-QHCPKHFHSA-N 1 1 406.486 2.511 20 0 HFADMO C[C@]1(CNC(=O)C(=O)NCCc2cccc3[nH]ccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000806580574 1079812365 /nfs/dbraw/zinc/81/23/65/1079812365.db2.gz JMPIOXDEMUVMBR-RUZDIDTESA-N 1 1 418.541 2.855 20 0 HFADMO CN(C(=O)C(=O)NCCc1ccc(Cl)nc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000806593126 1079835843 /nfs/dbraw/zinc/83/58/43/1079835843.db2.gz HXNQTVDHONRGJJ-LJQANCHMSA-N 1 1 414.937 2.517 20 0 HFADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCCc1ccc(Cl)nc1 ZINC000806595957 1079839480 /nfs/dbraw/zinc/83/94/80/1079839480.db2.gz QUJUWQACLLUUBU-KRWDZBQOSA-N 1 1 414.937 2.517 20 0 HFADMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCCc1ccc(Cl)nc1 ZINC000806604460 1079845507 /nfs/dbraw/zinc/84/55/07/1079845507.db2.gz YFMLQTJKOGKSCP-IRXDYDNUSA-N 1 1 414.937 2.515 20 0 HFADMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCCc1ccc(Cl)nc1 ZINC000806604460 1079845521 /nfs/dbraw/zinc/84/55/21/1079845521.db2.gz YFMLQTJKOGKSCP-IRXDYDNUSA-N 1 1 414.937 2.515 20 0 HFADMO C[C@H](O)c1ccc(CNC(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000806653167 1079871824 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ZINC001164716283 720114214 /nfs/dbraw/zinc/11/42/14/720114214.db2.gz KFVPLRPSZAIMGP-LJQANCHMSA-N 1 1 404.518 2.927 20 0 HFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)CCCN3)CC2 ZINC001164716029 720118197 /nfs/dbraw/zinc/11/81/97/720118197.db2.gz IKVWBFPHJZGTQK-LJQANCHMSA-N 1 1 408.550 2.737 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccc3)nc(N(C)C)n1)C2 ZINC001164808084 720134148 /nfs/dbraw/zinc/13/41/48/720134148.db2.gz DLONKKLOWHVFIE-HYBUGGRVSA-N 1 1 422.577 2.789 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c(Cl)ncnc31)C2 ZINC001164817170 720189178 /nfs/dbraw/zinc/18/91/78/720189178.db2.gz OJIOFZOVWAQHFR-YJYMSZOUSA-N 1 1 423.348 2.911 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c(OC)cc(OC)cc31)C2 ZINC001164811520 720199942 /nfs/dbraw/zinc/19/99/42/720199942.db2.gz JGFKSKCVCJNWNK-GAJHUEQPSA-N 1 1 412.534 2.832 20 0 HFADMO COc1cc(C)c2ncnc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c2c1 ZINC001164815598 720247958 /nfs/dbraw/zinc/24/79/58/720247958.db2.gz CRUDODJDXCFSGS-UHFFFAOYSA-N 1 1 422.533 2.754 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(F)cc4ccc(Cl)nc43)C2)C1 ZINC001164719712 720252426 /nfs/dbraw/zinc/25/24/26/720252426.db2.gz OCKHMWVZTXPTJZ-OAQYLSRUSA-N 1 1 420.916 2.692 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(F)cc4ccc(Cl)nc43)C2)C1 ZINC001164719712 720252430 /nfs/dbraw/zinc/25/24/30/720252430.db2.gz OCKHMWVZTXPTJZ-OAQYLSRUSA-N 1 1 420.916 2.692 20 0 HFADMO CN(C)c1nc(-c2ccccc2)nc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164724238 720401779 /nfs/dbraw/zinc/40/17/79/720401779.db2.gz IMZYFTOZZZDQJU-PMACEKPBSA-N 1 1 401.518 2.853 20 0 HFADMO CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]21 ZINC001164828567 720420494 /nfs/dbraw/zinc/42/04/94/720420494.db2.gz XMOIKAFBXQJBEA-GUDVDZBRSA-N 1 1 420.985 2.944 20 0 HFADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c12 ZINC001164730253 720428505 /nfs/dbraw/zinc/42/85/05/720428505.db2.gz IXZSLOMQHJWTHF-GJZGRUSLSA-N 1 1 412.881 2.646 20 0 HFADMO Cc1cc(NC(=O)c2cccnc2N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)no1 ZINC001164734796 720431911 /nfs/dbraw/zinc/43/19/11/720431911.db2.gz UOFHDYRTDSXWKC-RTBURBONSA-N 1 1 404.474 2.879 20 0 HFADMO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731709 720443764 /nfs/dbraw/zinc/44/37/64/720443764.db2.gz MDICKLRMTHRMDX-QWHCGFSZSA-N 1 1 405.840 2.751 20 0 HFADMO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731709 720443765 /nfs/dbraw/zinc/44/37/65/720443765.db2.gz MDICKLRMTHRMDX-QWHCGFSZSA-N 1 1 405.840 2.751 20 0 HFADMO Clc1cc(O[C@@H]2CCOC2)nc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164729513 720481746 /nfs/dbraw/zinc/48/17/46/720481746.db2.gz RJOFUQCDKLDNDR-IKGGRYGDSA-N 1 1 401.898 2.546 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4c3ncn4C)CC[C@@H]21 ZINC001164836402 720531071 /nfs/dbraw/zinc/53/10/71/720531071.db2.gz JYHTYSYNXCLFSS-PMPSAXMXSA-N 1 1 414.945 2.591 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc4ccc(=O)n(C)c4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841472 720548144 /nfs/dbraw/zinc/54/81/44/720548144.db2.gz WBHGSDJHCWCXTF-SLFFLAALSA-N 1 1 406.534 2.508 20 0 HFADMO CC(C)c1nc(N(C)C)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164836816 720562189 /nfs/dbraw/zinc/56/21/89/720562189.db2.gz LGBTWRIVXALKGH-GBESFXJTSA-N 1 1 412.586 2.635 20 0 HFADMO CNC(=O)c1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1Cl ZINC001164837391 720564596 /nfs/dbraw/zinc/56/45/96/720564596.db2.gz MEROHIVKAOCHPD-XYJFISCASA-N 1 1 416.957 2.669 20 0 HFADMO CC(C)[N@H+]1[C@@H]2CCN(c3nc[nH]c4nc(=S)sc3-4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843558 720594082 /nfs/dbraw/zinc/59/40/82/720594082.db2.gz YCHQWTCAKOPDAW-QLFBSQMISA-N 1 1 415.592 2.949 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc[nH]c4nc(=S)sc3-4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843558 720594086 /nfs/dbraw/zinc/59/40/86/720594086.db2.gz YCHQWTCAKOPDAW-QLFBSQMISA-N 1 1 415.592 2.949 20 0 HFADMO Fc1ccc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164738126 720630455 /nfs/dbraw/zinc/63/04/55/720630455.db2.gz AJKUNXLIIJFRLD-KBPBESRZSA-N 1 1 400.845 2.554 20 0 HFADMO Clc1ccc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1 ZINC001164740192 720634557 /nfs/dbraw/zinc/63/45/57/720634557.db2.gz HQGDOPTVWMOYAA-QZTJIDSGSA-N 1 1 408.893 2.929 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN([C@@H](F)Oc3ccc(Cl)nn3)CC[C@@H]21 ZINC001164842001 720649894 /nfs/dbraw/zinc/64/98/94/720649894.db2.gz ROJFMYCKGSGTRH-PASDCYSWSA-N 1 1 408.909 2.832 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCOCC3)ncn1)CC2 ZINC001164840355 720665404 /nfs/dbraw/zinc/66/54/04/720665404.db2.gz LRVGNBNNIFBPBE-NRFANRHFSA-N 1 1 423.561 2.573 20 0 HFADMO CCOC(=O)c1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ncn1 ZINC001164841854 720679111 /nfs/dbraw/zinc/67/91/11/720679111.db2.gz JNOXBHOVQVITLC-LJQANCHMSA-N 1 1 410.518 2.913 20 0 HFADMO Fc1cccc(Oc2cncc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)c1 ZINC001164739424 720735122 /nfs/dbraw/zinc/73/51/22/720735122.db2.gz IOTYLPKFXAUJMZ-AEFFLSMTSA-N 1 1 408.437 2.540 20 0 HFADMO Clc1ccc2[nH]c3ncnc(N4CC[N@H+]5C[C@@H](Oc6cncnc6)C[C@@H]5C4)c3c2c1 ZINC001164741567 720750063 /nfs/dbraw/zinc/75/00/63/720750063.db2.gz MTTDGQYHUYGZES-CABCVRRESA-N 1 1 421.892 2.896 20 0 HFADMO Cc1cc2c(ncnc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)s1 ZINC001164743386 720808836 /nfs/dbraw/zinc/80/88/36/720808836.db2.gz FSWBSWOJWZWBMJ-ZHALLVOQSA-N 1 1 409.563 2.971 20 0 HFADMO Cc1nc2sccc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164743403 720808973 /nfs/dbraw/zinc/80/89/73/720808973.db2.gz FWJLULJXGUITAL-ZHALLVOQSA-N 1 1 409.563 2.971 20 0 HFADMO CCOC(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1C ZINC001164743367 720810042 /nfs/dbraw/zinc/81/00/42/720810042.db2.gz FQUFLADRYJMKPI-QKNQBKEWSA-N 1 1 424.549 2.538 20 0 HFADMO Fc1ccc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164752080 720814845 /nfs/dbraw/zinc/81/48/45/720814845.db2.gz YOBWCKPYXBVGNM-HGHGUNKESA-N 1 1 407.497 2.740 20 0 HFADMO Clc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C2CC2)n1 ZINC001164744875 720815122 /nfs/dbraw/zinc/81/51/22/720815122.db2.gz JEDONFGVZSBGFM-KZNAEPCWSA-N 1 1 413.957 2.978 20 0 HFADMO COc1nc2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740297 720818766 /nfs/dbraw/zinc/81/87/66/720818766.db2.gz KBGWWJFCCMEIHB-WAOWUJCRSA-N 1 1 419.533 2.609 20 0 HFADMO O=C([C@@H]1CC[C@H]2[C@H](CCN2c2nc(Cl)ccc2C[NH+]2CCCC2)O1)N1CCCO1 ZINC001164852198 720820289 /nfs/dbraw/zinc/82/02/89/720820289.db2.gz ZZKQBUCDBBUECN-BZSNNMDCSA-N 1 1 420.941 2.621 20 0 HFADMO COc1cc(Cl)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164739270 720826254 /nfs/dbraw/zinc/82/62/54/720826254.db2.gz HWXICWPFRZOENO-BPQIPLTHSA-N 1 1 402.930 2.715 20 0 HFADMO FC(F)(c1cnnc(Cl)c1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737673 720828907 /nfs/dbraw/zinc/82/89/07/720828907.db2.gz BRNKGOYZVGMZNA-USXIJHARSA-N 1 1 423.899 2.646 20 0 HFADMO Clc1nnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2ncccc12 ZINC001164740135 720829512 /nfs/dbraw/zinc/82/95/12/720829512.db2.gz JCLFYHCVSHXCEP-SOLBZPMBSA-N 1 1 424.940 2.649 20 0 HFADMO Clc1cc(C2CC2)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164740738 720830748 /nfs/dbraw/zinc/83/07/48/720830748.db2.gz LCYMJTTVWCPFBO-YQVWRLOYSA-N 1 1 413.957 2.978 20 0 HFADMO COc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2ccccc21 ZINC001164747794 720834009 /nfs/dbraw/zinc/83/40/09/720834009.db2.gz RRDOJNSFXAHDBA-LVCYWYKZSA-N 1 1 419.533 2.609 20 0 HFADMO c1ncn(C[C@@H]2C[C@H]3CN(c4ccnc(-c5cccnc5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164739950 720834316 /nfs/dbraw/zinc/83/43/16/720834316.db2.gz BCVIBRPHOGUNND-PCCBWWKXSA-N 1 1 416.533 2.510 20 0 HFADMO Clc1cc2[nH]cnc2nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746545 720835658 /nfs/dbraw/zinc/83/56/58/720835658.db2.gz OJEDVHSRWNXXJP-RVKKMQEKSA-N 1 1 412.929 2.582 20 0 HFADMO Clc1cc2nc[nH]c2nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746545 720835660 /nfs/dbraw/zinc/83/56/60/720835660.db2.gz OJEDVHSRWNXXJP-RVKKMQEKSA-N 1 1 412.929 2.582 20 0 HFADMO Clc1cc2nc[nH]c2nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746545 720835662 /nfs/dbraw/zinc/83/56/62/720835662.db2.gz OJEDVHSRWNXXJP-RVKKMQEKSA-N 1 1 412.929 2.582 20 0 HFADMO COc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1Cl ZINC001164751842 720841321 /nfs/dbraw/zinc/84/13/21/720841321.db2.gz ZDUHATVSYJFMHE-JFIYKMOQSA-N 1 1 402.930 2.715 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nccnc3C3SCCCS3)CC[C@H]2C1 ZINC001164857097 720846973 /nfs/dbraw/zinc/84/69/73/720846973.db2.gz XHUQBFDRPYPXIO-JKSUJKDBSA-N 1 1 410.609 2.519 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3cc(Cl)nc(Cc4ccccc4)n3)CC[C@@H]2C1 ZINC001164849292 720849490 /nfs/dbraw/zinc/84/94/90/720849490.db2.gz BYGQOCCNFUFBRU-MOPGFXCFSA-N 1 1 416.953 2.894 20 0 HFADMO CCc1c(Cl)ncnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747298 720850541 /nfs/dbraw/zinc/85/05/41/720850541.db2.gz QCQZTGYIOPADEL-XYJFISCASA-N 1 1 401.946 2.663 20 0 HFADMO CCOC(=O)c1cc(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)nc2ccccc21 ZINC001164854956 720853379 /nfs/dbraw/zinc/85/33/79/720853379.db2.gz LWBVMJSCCSZHCN-LAUBAEHRSA-N 1 1 413.518 2.585 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(C(=O)Nc4ccccc4)ccn3)CC[C@@H]2C1 ZINC001164852014 720857637 /nfs/dbraw/zinc/85/76/37/720857637.db2.gz BOURMVXOALZPMU-TZIWHRDSSA-N 1 1 410.518 2.507 20 0 HFADMO c1csc(-c2nccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)n1 ZINC001164750211 720860387 /nfs/dbraw/zinc/86/03/87/720860387.db2.gz ORJVDCWPOHKZAB-RCCFBDPRSA-N 1 1 422.562 2.571 20 0 HFADMO c1cc2nccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2n1 ZINC001164752978 720867491 /nfs/dbraw/zinc/86/74/91/720867491.db2.gz OAQGPLIHTXBFJU-URXFXBBRSA-N 1 1 418.545 2.879 20 0 HFADMO COc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164754817 720868123 /nfs/dbraw/zinc/86/81/23/720868123.db2.gz SPUJCJXCZHNIRC-NZQKXSOJSA-N 1 1 409.534 2.635 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(-c4cccc(Cl)c4)ncn3)CC[C@H]2C1 ZINC001164863828 720879295 /nfs/dbraw/zinc/87/92/95/720879295.db2.gz UUPAQJHLLIMHGY-FXAWDEMLSA-N 1 1 402.926 2.971 20 0 HFADMO COc1ncnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C ZINC001164756290 720887402 /nfs/dbraw/zinc/88/74/02/720887402.db2.gz PDBWHHLHQLHJHU-ZJSXRUAMSA-N 1 1 423.561 2.944 20 0 HFADMO Cc1nnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C ZINC001164753115 720930936 /nfs/dbraw/zinc/93/09/36/720930936.db2.gz PWDXVZKNRIESJZ-GGAORHGYSA-N 1 1 408.550 2.639 20 0 HFADMO Cc1nnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C ZINC001164753114 720931561 /nfs/dbraw/zinc/93/15/61/720931561.db2.gz PWDXVZKNRIESJZ-FYYLOGMGSA-N 1 1 408.550 2.639 20 0 HFADMO CCOC(=O)c1nnc(Cl)cc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164859978 720953779 /nfs/dbraw/zinc/95/37/79/720953779.db2.gz OSYDYKIBQDYJJD-ZDUSSCGKSA-N 1 1 406.918 2.925 20 0 HFADMO COCCOC(=O)c1ccnc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c1 ZINC001164863975 721017595 /nfs/dbraw/zinc/01/75/95/721017595.db2.gz WDMOEDYEAZRMGD-MRXNPFEDSA-N 1 1 401.511 2.503 20 0 HFADMO CCCNC(=O)c1cc(Cl)nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164861391 721023782 /nfs/dbraw/zinc/02/37/82/721023782.db2.gz OHIHNPNDWNHISW-CQSZACIVSA-N 1 1 419.961 2.888 20 0 HFADMO Fc1c[nH]c2nc(Cl)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164866093 721045205 /nfs/dbraw/zinc/04/52/05/721045205.db2.gz CSFLFLVQTSOXFC-KBPBESRZSA-N 1 1 402.861 2.625 20 0 HFADMO COc1ccc2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc(C)c2c1 ZINC001164864603 721103133 /nfs/dbraw/zinc/10/31/33/721103133.db2.gz GNUDMWMKGFOJHW-AZUAARDMSA-N 1 1 405.502 2.822 20 0 HFADMO COc1cc2c(cc1F)ncnc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865467 721111229 /nfs/dbraw/zinc/11/12/29/721111229.db2.gz LNNABGDIHMSZLI-IAGOWNOFSA-N 1 1 409.465 2.652 20 0 HFADMO COC(=O)c1ccc2nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)ccc2c1 ZINC001164768164 721116737 /nfs/dbraw/zinc/11/67/37/721116737.db2.gz NNCGWTXZYCUQNC-PMACEKPBSA-N 1 1 405.502 2.713 20 0 HFADMO CCOC(=O)c1cnc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164773310 721140622 /nfs/dbraw/zinc/14/06/22/721140622.db2.gz YEQYYQNRTQXRFU-DOTOQJQBSA-N 1 1 403.914 2.604 20 0 HFADMO COc1ccc(C(F)(F)N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1Cl ZINC001164773727 721152173 /nfs/dbraw/zinc/15/21/73/721152173.db2.gz YUXFDCKEWWSVSA-HUUCEWRRSA-N 1 1 411.884 2.980 20 0 HFADMO COC(=O)c1cc2ccccc2c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164880752 721155336 /nfs/dbraw/zinc/15/53/36/721155336.db2.gz XMFXRZDRVKLWTI-VQTJNVASSA-N 1 1 418.497 2.896 20 0 HFADMO Fc1cccc(-c2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164876458 721156624 /nfs/dbraw/zinc/15/66/24/721156624.db2.gz MNKKMEVTEWSMAJ-VQTJNVASSA-N 1 1 406.465 2.552 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc5ccccc5nc4N4CCCC4)C[C@H]3C2)cn1 ZINC001164774387 721189080 /nfs/dbraw/zinc/18/90/80/721189080.db2.gz YTENAAAQOKBASX-VQTJNVASSA-N 1 1 417.561 2.922 20 0 HFADMO COc1ccccc1-c1ccc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nn1 ZINC001164770795 721202290 /nfs/dbraw/zinc/20/22/90/721202290.db2.gz OKLJVQWPNYJFEH-RTBURBONSA-N 1 1 404.518 2.844 20 0 HFADMO COc1ccc(-c2cc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)ncn2)cc1 ZINC001164772873 721209524 /nfs/dbraw/zinc/20/95/24/721209524.db2.gz VTRAALVLGKKNDT-WOJBJXKFSA-N 1 1 404.518 2.844 20 0 HFADMO COc1ccc(-c2cc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)ncn2)cc1 ZINC001164772872 721210132 /nfs/dbraw/zinc/21/01/32/721210132.db2.gz VTRAALVLGKKNDT-VQTJNVASSA-N 1 1 404.518 2.844 20 0 HFADMO CCCSc1ncnc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c1OC ZINC001164760287 721241381 /nfs/dbraw/zinc/24/13/81/721241381.db2.gz DGBCEXYFPIUMFN-IRXDYDNUSA-N 1 1 402.568 2.679 20 0 HFADMO CCOC(=O)c1cnc(C(F)(F)N2CC3(C2)CC[N@@H+](CC2CC2)C3)nc1Cl ZINC001164767054 721280587 /nfs/dbraw/zinc/28/05/87/721280587.db2.gz DZHRPXNTQNHLDX-UHFFFAOYSA-N 1 1 400.857 2.774 20 0 HFADMO CC[C@H]1C(=O)N(C)c2cnc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)nc2N1C1CCCC1 ZINC001164773156 721287818 /nfs/dbraw/zinc/28/78/18/721287818.db2.gz NYHVNXKYDQJUAF-IBGZPJMESA-N 1 1 424.593 2.903 20 0 HFADMO CS(=O)(=O)c1cc(C(F)(F)N2CC3(C2)CC[N@@H+](CC2CC2)C3)cnc1Cl ZINC001164775067 721303992 /nfs/dbraw/zinc/30/39/92/721303992.db2.gz NWZSOSMVDRUEOT-UHFFFAOYSA-N 1 1 405.898 2.606 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3OCCN(c4ccc(C)nn4)[C@H]3C2)nc1 ZINC001164775695 721313809 /nfs/dbraw/zinc/31/38/09/721313809.db2.gz ILJNWTQOCLTGQY-HKBOAZHASA-N 1 1 408.550 2.821 20 0 HFADMO CCN1CC[C@@]2(CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]2C)C1=O ZINC001164777476 721318362 /nfs/dbraw/zinc/31/83/62/721318362.db2.gz JUGJEXXSKVABBR-KOSHJBKYSA-N 1 1 405.546 2.730 20 0 HFADMO CCN1CC[C@@]2(CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]2C)C1=O ZINC001164777476 721318366 /nfs/dbraw/zinc/31/83/66/721318366.db2.gz JUGJEXXSKVABBR-KOSHJBKYSA-N 1 1 405.546 2.730 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nnc4ccccc4n3)C2)C1 ZINC001164779952 721368798 /nfs/dbraw/zinc/36/87/98/721368798.db2.gz BGZFDNKXBZTHOB-JOCHJYFZSA-N 1 1 408.506 2.749 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nnc4ccccc4n3)C2)C1 ZINC001164779952 721368800 /nfs/dbraw/zinc/36/88/00/721368800.db2.gz BGZFDNKXBZTHOB-JOCHJYFZSA-N 1 1 408.506 2.749 20 0 HFADMO Cc1nc2ccsc2c(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164889275 721380082 /nfs/dbraw/zinc/38/00/82/721380082.db2.gz LLIUQXRESJKKRE-UTKZUKDTSA-N 1 1 401.580 2.765 20 0 HFADMO CSc1nc(Cl)cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164893606 721382331 /nfs/dbraw/zinc/38/23/31/721382331.db2.gz WBNGAZPQQHLCAQ-BEFAXECRSA-N 1 1 412.003 2.617 20 0 HFADMO COC(=O)/C=C\c1cc2cc[nH]c2c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164785523 721420930 /nfs/dbraw/zinc/42/09/30/721420930.db2.gz NDHQGSWPMYZVBH-IAMSIJSXSA-N 1 1 409.515 2.774 20 0 HFADMO COC(=O)/C=C\c1cc2cc[nH]c2c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164785523 721420932 /nfs/dbraw/zinc/42/09/32/721420932.db2.gz NDHQGSWPMYZVBH-IAMSIJSXSA-N 1 1 409.515 2.774 20 0 HFADMO Cc1cc2ncnc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2s1 ZINC001164889574 721428310 /nfs/dbraw/zinc/42/83/10/721428310.db2.gz BUILMXJXPHKTSK-UTKZUKDTSA-N 1 1 401.580 2.765 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(-c5cccs5)ncn4)C3)O2)CC1 ZINC001164896697 721437928 /nfs/dbraw/zinc/43/79/28/721437928.db2.gz RTTUZHSMSMEGCJ-PGRDOPGGSA-N 1 1 413.591 2.971 20 0 HFADMO Cc1nc(-c2ccncc2)cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164896708 721440843 /nfs/dbraw/zinc/44/08/43/721440843.db2.gz RUVAPWGOCJIISZ-URXFXBBRSA-N 1 1 422.577 2.612 20 0 HFADMO CCOc1cncc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164789366 721448388 /nfs/dbraw/zinc/44/83/88/721448388.db2.gz UYBJXYSDEQGNGP-LJQANCHMSA-N 1 1 404.555 2.609 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(Cl)[n+]1[O-])CC2 ZINC001164785647 721456125 /nfs/dbraw/zinc/45/61/25/721456125.db2.gz MIPLDTLWRMZFBZ-SFHVURJKSA-N 1 1 409.958 2.707 20 0 HFADMO O=C(NCC1CC1)[C@@H]1C[C@H]2[C@@H](CCN2c2nc(Cl)ccc2C[NH+]2CCCC2)O1 ZINC001164890832 721457817 /nfs/dbraw/zinc/45/78/17/721457817.db2.gz SRLCVLXHXIINJJ-KSZLIROESA-N 1 1 404.942 2.593 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)nc(OC)n1)CC2 ZINC001164788493 721460022 /nfs/dbraw/zinc/46/00/22/721460022.db2.gz SXESHUREOZMYCW-LJQANCHMSA-N 1 1 404.555 2.528 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3cccnc3n1)CC2 ZINC001164789934 721460827 /nfs/dbraw/zinc/46/08/27/721460827.db2.gz YPBKLIHFTBOKPN-HXUWFJFHSA-N 1 1 411.550 2.759 20 0 HFADMO CN1CCN(c2nccc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)n2)CC1 ZINC001164795505 721502314 /nfs/dbraw/zinc/50/23/14/721502314.db2.gz JJQGPXLESBOLED-UHFFFAOYSA-N 1 1 421.593 2.504 20 0 HFADMO Cc1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C(N)=O ZINC001164897686 721513215 /nfs/dbraw/zinc/51/32/15/721513215.db2.gz GIAZXEMXAXJRKS-GDBMZVCRSA-N 1 1 404.873 2.623 20 0 HFADMO COC(=O)c1ccc2ncnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1 ZINC001164899671 721517977 /nfs/dbraw/zinc/51/79/77/721517977.db2.gz LOZYZHJQHJHCRF-IEBWSBKVSA-N 1 1 422.460 2.897 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)N2CCCC2)[C@@H]2CCCO[C@@H]12 ZINC001164795644 721524847 /nfs/dbraw/zinc/52/48/47/721524847.db2.gz PZYWEDJQTWMPEE-YPAWHYETSA-N 1 1 421.545 2.581 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)N2CCCC2)[C@@H]2CCCO[C@@H]12 ZINC001164795644 721524848 /nfs/dbraw/zinc/52/48/48/721524848.db2.gz PZYWEDJQTWMPEE-YPAWHYETSA-N 1 1 421.545 2.581 20 0 HFADMO CCOC(=O)/C=C\c1cccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164810699 721529959 /nfs/dbraw/zinc/52/99/59/721529959.db2.gz YBIXTFJXIDMEJS-UHIWMWCPSA-N 1 1 422.529 2.921 20 0 HFADMO CC(C)(C)C(=O)Nc1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nn1 ZINC001164912349 721533431 /nfs/dbraw/zinc/53/34/31/721533431.db2.gz YZUWCPSIEGBXOX-FUHWJXTLSA-N 1 1 413.497 2.942 20 0 HFADMO COC(=O)c1cc(Cl)cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164807751 721538027 /nfs/dbraw/zinc/53/80/27/721538027.db2.gz QYUFPHPJKXHCSW-HBFSDRIKSA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1cc(Cl)cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164807751 721538032 /nfs/dbraw/zinc/53/80/32/721538032.db2.gz QYUFPHPJKXHCSW-HBFSDRIKSA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1cc2ccncc2nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164908150 721538279 /nfs/dbraw/zinc/53/82/79/721538279.db2.gz PDABEDQOTVMRKF-HKUYNNGSSA-N 1 1 422.460 2.897 20 0 HFADMO CON(C)C(=O)c1cc(C)cnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164907617 721547896 /nfs/dbraw/zinc/54/78/96/721547896.db2.gz NQLFZHQWEFDRPA-HKUYNNGSSA-N 1 1 414.481 2.504 20 0 HFADMO COc1ccc2c(c1)ncnc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164810476 721554581 /nfs/dbraw/zinc/55/45/81/721554581.db2.gz YLELSKGWFQOGLQ-FDFHNCONSA-N 1 1 405.502 2.902 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(-c3cccnc3)n2)[C@H]2CCCO[C@H]12 ZINC001164806250 721561510 /nfs/dbraw/zinc/56/15/10/721561510.db2.gz PKTIYDBKSBBVNX-VWPQPMDRSA-N 1 1 402.502 2.802 20 0 HFADMO COC(OC)c1cc(C)cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164807307 721570679 /nfs/dbraw/zinc/57/06/79/721570679.db2.gz SOYSFHUCQNFGCV-HKBOAZHASA-N 1 1 412.534 2.945 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nccnc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164805438 721572873 /nfs/dbraw/zinc/57/28/73/721572873.db2.gz NXNFRDZBDOGZPG-BZUAXINKSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nccnc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164805438 721572875 /nfs/dbraw/zinc/57/28/75/721572875.db2.gz NXNFRDZBDOGZPG-BZUAXINKSA-N 1 1 409.868 2.938 20 0 HFADMO COc1cccc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c21 ZINC001164802520 721580459 /nfs/dbraw/zinc/58/04/59/721580459.db2.gz GGFSMSFFFUKPBA-IPJJNNNSSA-N 1 1 405.502 2.902 20 0 HFADMO COc1cccc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c21 ZINC001164802520 721580462 /nfs/dbraw/zinc/58/04/62/721580462.db2.gz GGFSMSFFFUKPBA-IPJJNNNSSA-N 1 1 405.502 2.902 20 0 HFADMO NC(=O)c1cc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907108 721585694 /nfs/dbraw/zinc/58/56/94/721585694.db2.gz RZSMJGWMARVRDT-LJQANCHMSA-N 1 1 421.879 2.967 20 0 HFADMO FC1(F)CCN(c2cncc(-n3ccnc3)n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906262 721715225 /nfs/dbraw/zinc/71/52/25/721715225.db2.gz LWTDXGWHHKJRJB-FQEVSTJZSA-N 1 1 411.460 2.795 20 0 HFADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2ccnc(Cl)c2F)CC1 ZINC001165009104 721731000 /nfs/dbraw/zinc/73/10/00/721731000.db2.gz UIZBIMRCMNIBRR-UHFFFAOYSA-N 1 1 404.864 2.942 20 0 HFADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3C[C@H](OCC4CC4)[C@@H]4COC[C@@H]43)C2)cc1 ZINC001165013812 721761626 /nfs/dbraw/zinc/76/16/26/721761626.db2.gz AMNLOXNKJLLEJM-PUHATCMVSA-N 1 1 406.530 2.665 20 0 HFADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3C[C@H](OCC4CC4)[C@@H]4COC[C@@H]43)C2)cc1 ZINC001165013812 721761629 /nfs/dbraw/zinc/76/16/29/721761629.db2.gz AMNLOXNKJLLEJM-PUHATCMVSA-N 1 1 406.530 2.665 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3C(C)(C)C(=O)N4)C[C@@H]21 ZINC001165023931 721821680 /nfs/dbraw/zinc/82/16/80/721821680.db2.gz IVGSLLCXTYYOKJ-BPQIPLTHSA-N 1 1 406.534 2.838 20 0 HFADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ncnc2c1ccn2Cc1ccc(F)cc1 ZINC001164926955 721866941 /nfs/dbraw/zinc/86/69/41/721866941.db2.gz TWHYCOIMFYCJJR-RTWAWAEBSA-N 1 1 408.525 2.833 20 0 HFADMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ncnc2c1ccn2Cc1ccc(F)cc1 ZINC001164926955 721866943 /nfs/dbraw/zinc/86/69/43/721866943.db2.gz TWHYCOIMFYCJJR-RTWAWAEBSA-N 1 1 408.525 2.833 20 0 HFADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ncnc2c1ccn2Cc1ccc(F)cc1 ZINC001164926953 721867179 /nfs/dbraw/zinc/86/71/79/721867179.db2.gz TWHYCOIMFYCJJR-NHCUHLMSSA-N 1 1 408.525 2.833 20 0 HFADMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ncnc2c1ccn2Cc1ccc(F)cc1 ZINC001164926953 721867181 /nfs/dbraw/zinc/86/71/81/721867181.db2.gz TWHYCOIMFYCJJR-NHCUHLMSSA-N 1 1 408.525 2.833 20 0 HFADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(C(=O)N(C)C)cn4)CC3)C2)cc1 ZINC001164939317 721925366 /nfs/dbraw/zinc/92/53/66/721925366.db2.gz IFAFCPCMOXHCGJ-UHFFFAOYSA-N 1 1 408.546 2.963 20 0 HFADMO CCOC(=O)c1cncc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939375 721926183 /nfs/dbraw/zinc/92/61/83/721926183.db2.gz KPIFCIJBIYUEJY-UHFFFAOYSA-N 1 1 410.518 2.833 20 0 HFADMO CCOC(=O)Cc1cnc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001164940509 721927260 /nfs/dbraw/zinc/92/72/60/721927260.db2.gz SGRGAGWORMOFFV-UHFFFAOYSA-N 1 1 424.545 2.762 20 0 HFADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncnc5c4C(C)(C)C(=O)N5)CC3)C2)cc1 ZINC001164939669 721929952 /nfs/dbraw/zinc/92/99/52/721929952.db2.gz NWKFQLYHFPUTHF-UHFFFAOYSA-N 1 1 421.545 2.886 20 0 HFADMO Cc1nc2ccsc2c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164947040 721968933 /nfs/dbraw/zinc/96/89/33/721968933.db2.gz OZKPPJCWMCSPDL-UHFFFAOYSA-N 1 1 407.543 2.971 20 0 HFADMO Cc1nc2ccsc2c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164947040 721968935 /nfs/dbraw/zinc/96/89/35/721968935.db2.gz OZKPPJCWMCSPDL-UHFFFAOYSA-N 1 1 407.543 2.971 20 0 HFADMO Cc1cc2ncnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c2s1 ZINC001164945138 721976982 /nfs/dbraw/zinc/97/69/82/721976982.db2.gz DOXYCYRNVCOANZ-UHFFFAOYSA-N 1 1 407.543 2.971 20 0 HFADMO Cc1cc2ncnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c2s1 ZINC001164945138 721976983 /nfs/dbraw/zinc/97/69/83/721976983.db2.gz DOXYCYRNVCOANZ-UHFFFAOYSA-N 1 1 407.543 2.971 20 0 HFADMO COc1nnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c2ccccc21 ZINC001164947746 721977927 /nfs/dbraw/zinc/97/79/27/721977927.db2.gz SFBPVXPLMYFPLD-UHFFFAOYSA-N 1 1 417.513 2.609 20 0 HFADMO COc1nnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c2ccccc21 ZINC001164947746 721977929 /nfs/dbraw/zinc/97/79/29/721977929.db2.gz SFBPVXPLMYFPLD-UHFFFAOYSA-N 1 1 417.513 2.609 20 0 HFADMO COc1cnc2c(c1)ncnc2N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164962456 722058786 /nfs/dbraw/zinc/05/87/86/722058786.db2.gz SCTHNORSKDAVLS-UHFFFAOYSA-N 1 1 420.517 2.547 20 0 HFADMO C[N@@H+](Cc1ccc(N2C[C@H]3CN(S(C)(=O)=O)c4ccccc4[C@H]3C2)nc1)C1CC1 ZINC001164976605 722090861 /nfs/dbraw/zinc/09/08/61/722090861.db2.gz SCQUPYYWUHDCEZ-PXNSSMCTSA-N 1 1 412.559 2.675 20 0 HFADMO Cc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1NCC1CC1 ZINC001164986223 722099037 /nfs/dbraw/zinc/09/90/37/722099037.db2.gz YLZKCBYQBJTRAY-LEWJYISDSA-N 1 1 408.550 2.729 20 0 HFADMO Clc1nc2ncccc2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984700 722104637 /nfs/dbraw/zinc/10/46/37/722104637.db2.gz TZNCDAWGXOVPMB-SJLPKXTDSA-N 1 1 410.909 2.801 20 0 HFADMO COc1ccc2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164986420 722106724 /nfs/dbraw/zinc/10/67/24/722106724.db2.gz YZQQRRCAQZHYEV-GCJKJVERSA-N 1 1 405.502 2.761 20 0 HFADMO CC(C)(C)C(=O)Nc1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164975072 722117227 /nfs/dbraw/zinc/11/72/27/722117227.db2.gz JFYQNOILPPWTML-RTBURBONSA-N 1 1 424.549 2.584 20 0 HFADMO COc1c(Cl)nc(C)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981060 722117553 /nfs/dbraw/zinc/11/75/53/722117553.db2.gz SFHCFTPRGAATRX-SJORKVTESA-N 1 1 403.914 2.569 20 0 HFADMO F[C@H](Oc1cccc(Cl)n1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979802 722118476 /nfs/dbraw/zinc/11/84/76/722118476.db2.gz QENMPUJEJRLNNT-ZWOKBUDYSA-N 1 1 406.889 2.985 20 0 HFADMO COc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc2ccccc21 ZINC001164973038 722125334 /nfs/dbraw/zinc/12/53/34/722125334.db2.gz GDJRDZYAJFEYTQ-GHTZIAJQSA-N 1 1 405.502 2.761 20 0 HFADMO Cc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(-c2ccncc2)n1 ZINC001164983351 722138318 /nfs/dbraw/zinc/13/83/18/722138318.db2.gz UOUKDXIJGLQOKM-FCHUYYIVSA-N 1 1 416.529 2.969 20 0 HFADMO COc1cccc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164981700 722143075 /nfs/dbraw/zinc/14/30/75/722143075.db2.gz PZXITJWJEXQBAR-GHTZIAJQSA-N 1 1 405.502 2.761 20 0 HFADMO c1ccc(-c2cc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)ncn2)nc1 ZINC001164980910 722145166 /nfs/dbraw/zinc/14/51/66/722145166.db2.gz NQCZVJLXBRZLPR-UGKGYDQZSA-N 1 1 402.502 2.661 20 0 HFADMO c1ccc(-c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)nc1 ZINC001164983878 722148208 /nfs/dbraw/zinc/14/82/08/722148208.db2.gz VYKTVTDETINTRT-DENIHFKCSA-N 1 1 402.502 2.661 20 0 HFADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4c5ccccc5[C@@H](OCC5CC5)[C@@H]4C3)n2)CC1 ZINC001164980955 722171773 /nfs/dbraw/zinc/17/17/73/722171773.db2.gz ZDYFMPYBWOVQHU-MQSCRBSSSA-N 1 1 405.546 2.930 20 0 HFADMO CN(C)S(=O)(=O)c1ccc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1 ZINC001164995365 722207869 /nfs/dbraw/zinc/20/78/69/722207869.db2.gz MOWVOTPTQREVGY-NRFANRHFSA-N 1 1 418.538 2.716 20 0 HFADMO Cc1sc2nc(C)nc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c2c1C ZINC001164996307 722233413 /nfs/dbraw/zinc/23/34/13/722233413.db2.gz BOVYKEGBFVHFMB-UHFFFAOYSA-N 1 1 423.590 2.764 20 0 HFADMO Cc1nc(C2CCCCC2)cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001165001526 722236441 /nfs/dbraw/zinc/23/64/41/722236441.db2.gz ICHAULYHJBRQGQ-UHFFFAOYSA-N 1 1 421.593 2.980 20 0 HFADMO CSc1cc(Cl)cnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001165002752 722236458 /nfs/dbraw/zinc/23/64/58/722236458.db2.gz YDWUNDSXERMOQV-UHFFFAOYSA-N 1 1 404.971 2.604 20 0 HFADMO NC(=O)C[N@@H+]1CCc2ccc(NC3CCN(C(=O)OCc4ccccc4)CC3)cc2C1 ZINC000790498648 1078043833 /nfs/dbraw/zinc/04/38/33/1078043833.db2.gz VTPFDYQAZQIYND-UHFFFAOYSA-N 1 1 422.529 2.743 20 0 HFADMO NC(=O)C[N@H+]1CCc2ccc(NC3CCN(C(=O)OCc4ccccc4)CC3)cc2C1 ZINC000790498648 1078043839 /nfs/dbraw/zinc/04/38/39/1078043839.db2.gz VTPFDYQAZQIYND-UHFFFAOYSA-N 1 1 422.529 2.743 20 0 HFADMO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cn1 ZINC000790468690 1078045532 /nfs/dbraw/zinc/04/55/32/1078045532.db2.gz RUKQVRPMALDKRC-XMSQKQJNSA-N 1 1 411.550 2.799 20 0 HFADMO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)nc1Br ZINC000793008755 1078047124 /nfs/dbraw/zinc/04/71/24/1078047124.db2.gz IFSGYFLZEUZWCZ-CQSZACIVSA-N 1 1 411.344 2.575 20 0 HFADMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)N(CCO)Cc1cccnc1Cl ZINC000793023184 1078058667 /nfs/dbraw/zinc/05/86/67/1078058667.db2.gz VYOFYBJGCLOHOB-IBGZPJMESA-N 1 1 402.926 2.904 20 0 HFADMO COCC1(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793121132 1078070404 /nfs/dbraw/zinc/07/04/04/1078070404.db2.gz MWBRWGGLKPQKDH-MRXNPFEDSA-N 1 1 408.543 2.608 20 0 HFADMO Cc1ccc2c(c1)CC[C@H](C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000793097949 1078075555 /nfs/dbraw/zinc/07/55/55/1078075555.db2.gz JHRCQXZEFVLJMG-HXUWFJFHSA-N 1 1 417.550 2.748 20 0 HFADMO C[C@@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3cn4cccc(F)c4n3)cc2)C1=O ZINC000790611591 1078075807 /nfs/dbraw/zinc/07/58/07/1078075807.db2.gz SJHBOMBRTQSQSP-QFIPXVFZSA-N 1 1 407.449 2.988 20 0 HFADMO O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790641711 1078090290 /nfs/dbraw/zinc/09/02/90/1078090290.db2.gz ADNOHFSTNGYDPP-MJGOQNOKSA-N 1 1 418.419 2.984 20 0 HFADMO Cc1c(Cl)cccc1N1CCCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000790707698 1078102525 /nfs/dbraw/zinc/10/25/25/1078102525.db2.gz CILNEJSWPYMWBZ-QZTJIDSGSA-N 1 1 406.958 2.733 20 0 HFADMO COc1ccc(-n2cnn(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2=S)cn1 ZINC000772829144 1078106072 /nfs/dbraw/zinc/10/60/72/1078106072.db2.gz RNTGYXYDCCPBAE-MAUKXSAKSA-N 1 1 400.552 2.713 20 0 HFADMO COCC(C)(COC(=O)c1ccc2cncn2c1)COC(=O)c1ccc2c[nH+]cn2c1 ZINC000793209661 1078106762 /nfs/dbraw/zinc/10/67/62/1078106762.db2.gz PNVZUKSLCASYTO-UHFFFAOYSA-N 1 1 422.441 2.649 20 0 HFADMO C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1nnnn1C1CC1 ZINC000790718074 1078107117 /nfs/dbraw/zinc/10/71/17/1078107117.db2.gz MXHAIPOGGQATOJ-QRFRQXIXSA-N 1 1 409.538 2.765 20 0 HFADMO CC[C@@H](C)CC[C@H](O)CC(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000793238078 1078108180 /nfs/dbraw/zinc/10/81/80/1078108180.db2.gz NBHCWKYRAIIXKI-AEFFLSMTSA-N 1 1 405.539 2.599 20 0 HFADMO C[C@H]1C[C@@H](NC(=O)c2nc(Br)ccc2Br)C[N@H+]1C1CC1 ZINC000790761874 1078113348 /nfs/dbraw/zinc/11/33/48/1078113348.db2.gz YUEQBTXUAIFQDC-DTWKUNHWSA-N 1 1 403.118 2.962 20 0 HFADMO CC[C@H](C)CC[C@H](O)CC(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000793238085 1078117346 /nfs/dbraw/zinc/11/73/46/1078117346.db2.gz NBHCWKYRAIIXKI-WMZOPIPTSA-N 1 1 405.539 2.599 20 0 HFADMO CCC[N@H+]1CC[C@H](CNC(=O)N2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)C1 ZINC000790770563 1078129202 /nfs/dbraw/zinc/12/92/02/1078129202.db2.gz RTLSNXGLBQPUPX-IKGGRYGDSA-N 1 1 400.539 2.707 20 0 HFADMO CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1cc[nH+]c(N3CCOCC3)n1)CC2 ZINC000790794039 1078136679 /nfs/dbraw/zinc/13/66/79/1078136679.db2.gz IXULMGHTNQCRNL-UHFFFAOYSA-N 1 1 417.554 2.931 20 0 HFADMO Brc1nc(Br)n(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000772831224 1078137655 /nfs/dbraw/zinc/13/76/55/1078137655.db2.gz ZLQUCENMIAALLC-ZYHUDNBSSA-N 1 1 419.165 2.709 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000793332750 1078141097 /nfs/dbraw/zinc/14/10/97/1078141097.db2.gz IWTGLCPASVXDEZ-MRXNPFEDSA-N 1 1 416.526 2.600 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000793335400 1078142998 /nfs/dbraw/zinc/14/29/98/1078142998.db2.gz VLQACWVDAXHEPW-UHFFFAOYSA-N 1 1 416.526 2.600 20 0 HFADMO CC[C@@H](C)CC[C@@H](O)CC(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000793336070 1078143343 /nfs/dbraw/zinc/14/33/43/1078143343.db2.gz XQZOUPFCLNHCHV-SJLPKXTDSA-N 1 1 402.539 2.953 20 0 HFADMO COC(=O)[C@@]1(NC(=O)c2cnc(OC)c(Cl)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000790847314 1078146768 /nfs/dbraw/zinc/14/67/68/1078146768.db2.gz MLYYEOYQVPTSFG-OAQYLSRUSA-N 1 1 417.893 2.681 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000793407079 1078157332 /nfs/dbraw/zinc/15/73/32/1078157332.db2.gz ABDAEFHNVQJPSQ-HDICACEKSA-N 1 1 424.586 2.694 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000793407079 1078157335 /nfs/dbraw/zinc/15/73/35/1078157335.db2.gz ABDAEFHNVQJPSQ-HDICACEKSA-N 1 1 424.586 2.694 20 0 HFADMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C(F)(F)Cc3ccccc3)c2)C1 ZINC000793467220 1078181582 /nfs/dbraw/zinc/18/15/82/1078181582.db2.gz PZWCTZDHNFOXEE-FQEVSTJZSA-N 1 1 415.484 2.878 20 0 HFADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C(F)(F)Cc3ccccc3)c2)C1 ZINC000793467221 1078181624 /nfs/dbraw/zinc/18/16/24/1078181624.db2.gz PZWCTZDHNFOXEE-HXUWFJFHSA-N 1 1 415.484 2.878 20 0 HFADMO O=C(NC[C@@H]1CCC[N@H+](CN2CC[C@H](CCc3ccccc3)C2=O)C1)C(F)(F)F ZINC000793518549 1078197910 /nfs/dbraw/zinc/19/79/10/1078197910.db2.gz GOBYFICPMMUBFD-ROUUACIJSA-N 1 1 411.468 2.816 20 0 HFADMO O=C(NC[C@@H]1CCC[N@@H+](CN2CC[C@H](CCc3ccccc3)C2=O)C1)C(F)(F)F ZINC000793518549 1078197915 /nfs/dbraw/zinc/19/79/15/1078197915.db2.gz GOBYFICPMMUBFD-ROUUACIJSA-N 1 1 411.468 2.816 20 0 HFADMO CC(C)c1[nH+]ccn1CCNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793495978 1078202322 /nfs/dbraw/zinc/20/23/22/1078202322.db2.gz CUZUCFCNYGQKPA-OALUTQOASA-N 1 1 421.501 2.715 20 0 HFADMO C[N@@H+]1CCN(C(=O)c2cccc(CN3C(=O)CSC3=O)c2)C[C@H]1Cc1ccccc1 ZINC000793505426 1078205499 /nfs/dbraw/zinc/20/54/99/1078205499.db2.gz NHCAVWTYVFINOZ-HXUWFJFHSA-N 1 1 423.538 2.881 20 0 HFADMO C[N@H+]1CCN(C(=O)c2cccc(CN3C(=O)CSC3=O)c2)C[C@H]1Cc1ccccc1 ZINC000793505426 1078205503 /nfs/dbraw/zinc/20/55/03/1078205503.db2.gz NHCAVWTYVFINOZ-HXUWFJFHSA-N 1 1 423.538 2.881 20 0 HFADMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000793584533 1078215279 /nfs/dbraw/zinc/21/52/79/1078215279.db2.gz OFQCQOGLBMMHOB-AEFFLSMTSA-N 1 1 404.942 2.948 20 0 HFADMO CN(C)c1cc(NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)cc[nH+]1 ZINC000793609053 1078217598 /nfs/dbraw/zinc/21/75/98/1078217598.db2.gz JDPBXGIVVNHVFU-HDICACEKSA-N 1 1 405.458 2.678 20 0 HFADMO CN(C)c1cc(NC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)cc[nH+]1 ZINC000793609060 1078217737 /nfs/dbraw/zinc/21/77/37/1078217737.db2.gz JDPBXGIVVNHVFU-ROUUACIJSA-N 1 1 405.458 2.678 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CN2C(=O)N[C@](C)(c3ccccc3C)C2=O)C1 ZINC000793598142 1078219546 /nfs/dbraw/zinc/21/95/46/1078219546.db2.gz MMWUXSDEEADUGT-RPWUZVMVSA-N 1 1 421.497 2.536 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CN2C(=O)N[C@](C)(c3ccccc3C)C2=O)C1 ZINC000793598142 1078219550 /nfs/dbraw/zinc/21/95/50/1078219550.db2.gz MMWUXSDEEADUGT-RPWUZVMVSA-N 1 1 421.497 2.536 20 0 HFADMO CCOC(=O)c1cnn(C[N@@H+]2CC[C@@](C(=O)OC)(c3ccccc3)C2)c1C(F)F ZINC000793601836 1078220914 /nfs/dbraw/zinc/22/09/14/1078220914.db2.gz XVHJFJHYQQTJQY-FQEVSTJZSA-N 1 1 407.417 2.772 20 0 HFADMO CCOC(=O)c1cnn(C[N@H+]2CC[C@@](C(=O)OC)(c3ccccc3)C2)c1C(F)F ZINC000793601836 1078220917 /nfs/dbraw/zinc/22/09/17/1078220917.db2.gz XVHJFJHYQQTJQY-FQEVSTJZSA-N 1 1 407.417 2.772 20 0 HFADMO COc1cc(CN2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)ccc1OC(F)F ZINC000793604191 1078221889 /nfs/dbraw/zinc/22/18/89/1078221889.db2.gz OVAMZLJMPZJOIE-HNNXBMFYSA-N 1 1 415.481 2.937 20 0 HFADMO COc1cc(CN2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)ccc1OC(F)F ZINC000793604191 1078221893 /nfs/dbraw/zinc/22/18/93/1078221893.db2.gz OVAMZLJMPZJOIE-HNNXBMFYSA-N 1 1 415.481 2.937 20 0 HFADMO C[N@@H+]1CCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604144 1078221953 /nfs/dbraw/zinc/22/19/53/1078221953.db2.gz OOVNIUMXXBGQSR-FPOVZHCZSA-N 1 1 419.566 2.885 20 0 HFADMO C[N@H+]1CCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604144 1078221955 /nfs/dbraw/zinc/22/19/55/1078221955.db2.gz OOVNIUMXXBGQSR-FPOVZHCZSA-N 1 1 419.566 2.885 20 0 HFADMO COc1ccc(CN2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c(Cl)c1OC ZINC000793605126 1078222622 /nfs/dbraw/zinc/22/26/22/1078222622.db2.gz DRVNKHHHXVPZBS-OAHLLOKOSA-N 1 1 413.946 2.998 20 0 HFADMO COc1ccc(CN2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c(Cl)c1OC ZINC000793605126 1078222625 /nfs/dbraw/zinc/22/26/25/1078222625.db2.gz DRVNKHHHXVPZBS-OAHLLOKOSA-N 1 1 413.946 2.998 20 0 HFADMO COc1cc2c(c(CN3CC[N@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)c1)O[C@H](C)C2 ZINC000793604560 1078222954 /nfs/dbraw/zinc/22/29/54/1078222954.db2.gz RHMAZCKYRXMEEL-QAPCUYQASA-N 1 1 405.539 2.659 20 0 HFADMO COc1cc2c(c(CN3CC[N@@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)c1)O[C@H](C)C2 ZINC000793604560 1078222960 /nfs/dbraw/zinc/22/29/60/1078222960.db2.gz RHMAZCKYRXMEEL-QAPCUYQASA-N 1 1 405.539 2.659 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@H]2OCC[C@@H](C(=O)NC3CC3)[C@H]2C1 ZINC001170435980 1078228597 /nfs/dbraw/zinc/22/85/97/1078228597.db2.gz DIQBQQFFENLVTO-MTQWCTHYSA-N 1 1 400.519 2.742 20 0 HFADMO CC[N@@H+](CCC1CCN(C(=O)C(=O)NCc2ccc([C@@H](C)O)cc2)CC1)CC1CC1 ZINC000793655242 1078241977 /nfs/dbraw/zinc/24/19/77/1078241977.db2.gz VFCAYBHBJHMXRC-GOSISDBHSA-N 1 1 415.578 2.717 20 0 HFADMO C[C@H](O)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000793650509 1078242031 /nfs/dbraw/zinc/24/20/31/1078242031.db2.gz KZKQAUCYFUFYNO-AVRDEDQJSA-N 1 1 423.557 2.773 20 0 HFADMO COCC1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793676104 1078250619 /nfs/dbraw/zinc/25/06/19/1078250619.db2.gz AVZPXXSDLDFPLL-ZWKOTPCHSA-N 1 1 409.571 2.593 20 0 HFADMO C[C@H](O)c1ccc(CNC(=O)C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793658068 1078259555 /nfs/dbraw/zinc/25/95/55/1078259555.db2.gz ZVANOMUSLKCLOG-DXIQSLLYSA-N 1 1 423.557 2.773 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C[C@](C)(c4ccccn4)CC3=O)CC[C@@H]21 ZINC000793725334 1078266761 /nfs/dbraw/zinc/26/67/61/1078266761.db2.gz VHFSXUCSOYQKEH-IEGUWTFLSA-N 1 1 414.550 2.860 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C[C@](C)(c4ccccn4)CC3=O)CC[C@@H]21 ZINC000793725334 1078266766 /nfs/dbraw/zinc/26/67/66/1078266766.db2.gz VHFSXUCSOYQKEH-IEGUWTFLSA-N 1 1 414.550 2.860 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000793692489 1078270006 /nfs/dbraw/zinc/27/00/06/1078270006.db2.gz ZNTBAFYKAGJGDF-MBOZVWFJSA-N 1 1 415.559 2.831 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000793694666 1078271303 /nfs/dbraw/zinc/27/13/03/1078271303.db2.gz MJFSSGJVWOESJO-TZIWHRDSSA-N 1 1 409.530 2.693 20 0 HFADMO COc1ccc(Cc2nn(CN3CC[C@@]4(CC[N@@H+](C)C4)C3)c(=S)o2)cc1OC ZINC000793763626 1078281716 /nfs/dbraw/zinc/28/17/16/1078281716.db2.gz DDNBIEBXQDZNJQ-HXUWFJFHSA-N 1 1 404.536 2.799 20 0 HFADMO C[N@H+]1CC[C@@]2(CCN(Cn3nc(CN4CCCC4)n(-c4ccccc4)c3=S)C2)C1 ZINC000793745139 1078288533 /nfs/dbraw/zinc/28/85/33/1078288533.db2.gz MLRYAMIQRSVCTC-JOCHJYFZSA-N 1 1 412.607 2.984 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC[C@H]1Cc1ccc(C)cc1 ZINC000793799578 1078301560 /nfs/dbraw/zinc/30/15/60/1078301560.db2.gz AFZMFNXIYOEAQS-NRFANRHFSA-N 1 1 417.513 2.734 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000793806003 1078304999 /nfs/dbraw/zinc/30/49/99/1078304999.db2.gz COGZQMFVEQHWOQ-OXJNMPFZSA-N 1 1 403.486 2.597 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC(c2cccc(F)c2)CC1 ZINC000793807027 1078305751 /nfs/dbraw/zinc/30/57/51/1078305751.db2.gz OMBJLLQPAWBYRL-UHFFFAOYSA-N 1 1 421.476 2.737 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000793789969 1078297507 /nfs/dbraw/zinc/29/75/07/1078297507.db2.gz RPIIFSRYXUCBCG-CZUORRHYSA-N 1 1 416.526 2.598 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCCCC[C@H]1c1ccco1 ZINC000793806913 1078305868 /nfs/dbraw/zinc/30/58/68/1078305868.db2.gz NNFVHWCVBGJNCF-SFHVURJKSA-N 1 1 407.474 2.929 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000793792510 1078298347 /nfs/dbraw/zinc/29/83/47/1078298347.db2.gz PIYUFKCKGXFTIJ-DXIQSLLYSA-N 1 1 409.530 2.515 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000793808780 1078298675 /nfs/dbraw/zinc/29/86/75/1078298675.db2.gz FEACSTUJFTUJEX-CTNGQTDRSA-N 1 1 417.513 2.720 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000793806870 1078305975 /nfs/dbraw/zinc/30/59/75/1078305975.db2.gz VTJZLZZIVJJNDX-UHFFFAOYSA-N 1 1 421.476 2.770 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000793808784 1078299283 /nfs/dbraw/zinc/29/92/83/1078299283.db2.gz FEACSTUJFTUJEX-PZJWPPBQSA-N 1 1 417.513 2.720 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)Cc1cc(Cl)ccc1F ZINC000793809442 1078306504 /nfs/dbraw/zinc/30/65/04/1078306504.db2.gz IWZMGTVDEAKZRH-UHFFFAOYSA-N 1 1 415.856 2.643 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000793776571 1078308981 /nfs/dbraw/zinc/30/89/81/1078308981.db2.gz CIEIZGXTLLEXMF-PCCBWWKXSA-N 1 1 415.578 2.992 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000793811597 1078314310 /nfs/dbraw/zinc/31/43/10/1078314310.db2.gz YGWWJDTVDNMBDI-CTNGQTDRSA-N 1 1 417.513 2.720 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000793812047 1078314860 /nfs/dbraw/zinc/31/48/60/1078314860.db2.gz ZLFXNPMFNJORBR-RJRNSMGGSA-N 1 1 415.497 2.896 20 0 HFADMO Cc1c[nH+]cn1C1CCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)CC1 ZINC000793847916 1078315808 /nfs/dbraw/zinc/31/58/08/1078315808.db2.gz MJLZOBRHUPINLZ-SFHVURJKSA-N 1 1 406.527 2.771 20 0 HFADMO Cc1c[nH+]cn1C1CCN(C(=O)[C@@H](c2cnn(C)c2)N(C)C(=O)OC(C)(C)C)CC1 ZINC000793851423 1078323392 /nfs/dbraw/zinc/32/33/92/1078323392.db2.gz UNLPCVSIRBINFH-GOSISDBHSA-N 1 1 416.526 2.697 20 0 HFADMO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCN(c3ccc(C)c(C)c3)CC2)c1 ZINC000793869631 1078328548 /nfs/dbraw/zinc/32/85/48/1078328548.db2.gz PEVIGEWQWKRYLS-UHFFFAOYSA-N 1 1 422.573 2.720 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)C[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000793875477 1078330965 /nfs/dbraw/zinc/33/09/65/1078330965.db2.gz RLQYPXBIEAANSN-VJANTYMQSA-N 1 1 411.587 2.573 20 0 HFADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000793900107 1078344000 /nfs/dbraw/zinc/34/40/00/1078344000.db2.gz FJDCBQOXHPIVRO-RBSFLKMASA-N 1 1 415.456 2.999 20 0 HFADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000793900104 1078344051 /nfs/dbraw/zinc/34/40/51/1078344051.db2.gz FJDCBQOXHPIVRO-ILXRZTDVSA-N 1 1 415.456 2.999 20 0 HFADMO Cn1cc[nH+]c1N1CCC(NC(=O)c2ccoc2COc2ccc(C=O)cc2)CC1 ZINC000793951540 1078345254 /nfs/dbraw/zinc/34/52/54/1078345254.db2.gz IMAPOPLISOPOMX-UHFFFAOYSA-N 1 1 408.458 2.803 20 0 HFADMO Cn1ccnc1[C@@](O)(CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000747163633 1078349251 /nfs/dbraw/zinc/34/92/51/1078349251.db2.gz JRSPBLUEUTUJHC-XLIONFOSSA-N 1 1 424.467 2.589 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000793969862 1078349466 /nfs/dbraw/zinc/34/94/66/1078349466.db2.gz FMEKFQCECPNNAP-XJKSGUPXSA-N 1 1 416.526 2.740 20 0 HFADMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000793972324 1078349948 /nfs/dbraw/zinc/34/99/48/1078349948.db2.gz WBQDKJMSCIZMCQ-PWRODBHTSA-N 1 1 422.529 2.711 20 0 HFADMO CC(C)c1ccc(N2CC[C@H](C(=O)NC3CCN(c4[nH+]ccn4C)CC3)C2=O)cc1 ZINC000793946323 1078354848 /nfs/dbraw/zinc/35/48/48/1078354848.db2.gz HWGFGVPYKZWFFC-HXUWFJFHSA-N 1 1 409.534 2.682 20 0 HFADMO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC001170442760 1078372338 /nfs/dbraw/zinc/37/23/38/1078372338.db2.gz ICOPLPKXPLGELI-HNNXBMFYSA-N 1 1 403.342 2.677 20 0 HFADMO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC001170442760 1078372340 /nfs/dbraw/zinc/37/23/40/1078372340.db2.gz ICOPLPKXPLGELI-HNNXBMFYSA-N 1 1 403.342 2.677 20 0 HFADMO Cc1c(CC(=O)NN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cnn1C ZINC000794210745 1078393892 /nfs/dbraw/zinc/39/38/92/1078393892.db2.gz MYOQOOBOHJQMNT-UHFFFAOYSA-N 1 1 403.530 2.709 20 0 HFADMO CC(C)C[N@H+]1CCO[C@@H](COC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)C1 ZINC000794387195 1078433580 /nfs/dbraw/zinc/43/35/80/1078433580.db2.gz WOLQMHQQSKWWGL-ZWKOTPCHSA-N 1 1 408.926 2.589 20 0 HFADMO CC[N@@H+]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)[C@@H](C)C1 ZINC000804380586 1078440535 /nfs/dbraw/zinc/44/05/35/1078440535.db2.gz VUWSOWOSTYJOSD-AWEZNQCLSA-N 1 1 401.960 2.535 20 0 HFADMO CC[N@H+]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)[C@@H](C)C1 ZINC000804380586 1078440537 /nfs/dbraw/zinc/44/05/37/1078440537.db2.gz VUWSOWOSTYJOSD-AWEZNQCLSA-N 1 1 401.960 2.535 20 0 HFADMO CC[N@@H+]1CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)[C@H](C)C1 ZINC000804382186 1078440918 /nfs/dbraw/zinc/44/09/18/1078440918.db2.gz XJTWYJCQJZGKDV-LLVKDONJSA-N 1 1 420.362 2.600 20 0 HFADMO CC[N@H+]1CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)[C@H](C)C1 ZINC000804382186 1078440919 /nfs/dbraw/zinc/44/09/19/1078440919.db2.gz XJTWYJCQJZGKDV-LLVKDONJSA-N 1 1 420.362 2.600 20 0 HFADMO CC(C)Cc1ncnc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1I ZINC000804396544 1078461603 /nfs/dbraw/zinc/46/16/03/1078461603.db2.gz JOIJKYYDCLHADK-STQMWFEESA-N 1 1 416.307 2.555 20 0 HFADMO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000804429009 1078474513 /nfs/dbraw/zinc/47/45/13/1078474513.db2.gz ATXCNDLAOZDHOA-YOEHRIQHSA-N 1 1 423.989 2.763 20 0 HFADMO CN(C(=O)C1CCC(NC(=O)CC2CCCC2)CC1)C(C)(C)C[NH+]1CCOCC1 ZINC001129774285 1078484570 /nfs/dbraw/zinc/48/45/70/1078484570.db2.gz WENQSQJEMZPTPG-UHFFFAOYSA-N 1 1 407.599 2.811 20 0 HFADMO O=C(C1=NO[C@H](c2ccccc2)C1)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804446222 1078512360 /nfs/dbraw/zinc/51/23/60/1078512360.db2.gz BAFYWZKJXUQEBQ-VWNXMTODSA-N 1 1 418.541 2.923 20 0 HFADMO C[C@@](O)(CC(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000804447533 1078515030 /nfs/dbraw/zinc/51/50/30/1078515030.db2.gz FMIUSTNKJPPLMU-UKILVPOCSA-N 1 1 407.558 2.703 20 0 HFADMO COCC(COC)[NH+]1CCN(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)CC1 ZINC001129822813 1078517430 /nfs/dbraw/zinc/51/74/30/1078517430.db2.gz MUAMVQITTQOOQY-KRWDZBQOSA-N 1 1 400.519 2.758 20 0 HFADMO COC(=O)NCCCC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC001129824002 1078518759 /nfs/dbraw/zinc/51/87/59/1078518759.db2.gz WYNYIPVWZUCHJB-UHFFFAOYSA-N 1 1 412.328 2.666 20 0 HFADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC001170452420 1078520278 /nfs/dbraw/zinc/52/02/78/1078520278.db2.gz XRZAVKNYNHJRBN-OAQYLSRUSA-N 1 1 411.550 2.614 20 0 HFADMO CO[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)[C@@H]1CCOC1 ZINC001129564803 1078558997 /nfs/dbraw/zinc/55/89/97/1078558997.db2.gz ZRQIGJLIGYWYPC-PNJWGLBASA-N 1 1 412.505 2.961 20 0 HFADMO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000804524613 1078564736 /nfs/dbraw/zinc/56/47/36/1078564736.db2.gz CUJQUCIQAISITE-STQMWFEESA-N 1 1 415.353 2.551 20 0 HFADMO CC1=C(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)[C@@H](C)n2ncnc2N1C ZINC000804533265 1078569640 /nfs/dbraw/zinc/56/96/40/1078569640.db2.gz AWRAQQXXDMQXIK-WZONZLPQSA-N 1 1 406.534 2.688 20 0 HFADMO CC1=C(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)[C@H](C)n2ncnc2N1C ZINC000804533262 1078569705 /nfs/dbraw/zinc/56/97/05/1078569705.db2.gz AWRAQQXXDMQXIK-FDDCHVKYSA-N 1 1 406.534 2.688 20 0 HFADMO O=C([C@@H]1CCCN1C(=O)C(F)(F)F)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804534186 1078570892 /nfs/dbraw/zinc/57/08/92/1078570892.db2.gz DUKIRANLYKIXMI-FXAWDEMLSA-N 1 1 409.452 2.664 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cccn2c(I)cnc12 ZINC000804777645 1078601799 /nfs/dbraw/zinc/60/17/99/1078601799.db2.gz BYVSPBKJIOTTSX-LBPRGKRZSA-N 1 1 412.275 2.543 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccnc(Cl)c1I ZINC000804778100 1078603411 /nfs/dbraw/zinc/60/34/11/1078603411.db2.gz QZIFXILJNKNHIA-JTQLQIEISA-N 1 1 407.683 2.944 20 0 HFADMO CN(C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)C(C)(C)C[NH+]1CCOCC1 ZINC001129658510 1078620004 /nfs/dbraw/zinc/62/00/04/1078620004.db2.gz IARFKYWTLOQLHK-UHFFFAOYSA-N 1 1 406.914 2.892 20 0 HFADMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)[C@H]3CNC(=O)C[C@H]3C(F)(F)F)sc2C1 ZINC001129951070 1078626369 /nfs/dbraw/zinc/62/63/69/1078626369.db2.gz HYKBWVGIMPCAFW-VHSXEESVSA-N 1 1 404.458 2.553 20 0 HFADMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)[C@@H]3CNC(=O)C[C@@H]3C(F)(F)F)sc2C1 ZINC001129951071 1078626426 /nfs/dbraw/zinc/62/64/26/1078626426.db2.gz HYKBWVGIMPCAFW-ZJUUUORDSA-N 1 1 404.458 2.553 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccnc(N2CCCCC2)n1 ZINC001129971241 1078665212 /nfs/dbraw/zinc/66/52/12/1078665212.db2.gz ZVNQPWUKGICISK-IFMALSPDSA-N 1 1 423.561 2.734 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000804833134 1078674352 /nfs/dbraw/zinc/67/43/52/1078674352.db2.gz HVEYXVRQXJYKTR-RUZDIDTESA-N 1 1 422.573 2.930 20 0 HFADMO COc1cccc(/C=C(\C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)n2nnnc2C)c1 ZINC000804869921 1078693317 /nfs/dbraw/zinc/69/33/17/1078693317.db2.gz INQOARXSPOUCTR-RCCKNPSSSA-N 1 1 424.505 2.562 20 0 HFADMO CN1C(=S)N=NC1[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000747221486 1078721795 /nfs/dbraw/zinc/72/17/95/1078721795.db2.gz FPMKZICUOBVDKA-RDJZCZTQSA-N 1 1 403.527 2.614 20 0 HFADMO CN1C(=S)N=NC1[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000747221486 1078721798 /nfs/dbraw/zinc/72/17/98/1078721798.db2.gz FPMKZICUOBVDKA-RDJZCZTQSA-N 1 1 403.527 2.614 20 0 HFADMO CC(C)[C@@H](CNC(=O)N1CCC[C@@H]1COC(=O)NC1CCCCC1)[NH+]1CCOCC1 ZINC000804902067 1078758069 /nfs/dbraw/zinc/75/80/69/1078758069.db2.gz SFSRRELUJJDYPI-WOJBJXKFSA-N 1 1 424.586 2.576 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000804976615 1078811867 /nfs/dbraw/zinc/81/18/67/1078811867.db2.gz HTTQBLKDZAZAGE-GMBSWORKSA-N 1 1 413.440 2.959 20 0 HFADMO COCC[N@@H+](C)CCCC1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC000805052477 1078866073 /nfs/dbraw/zinc/86/60/73/1078866073.db2.gz XPBHZLHXAUMCKS-UHFFFAOYSA-N 1 1 407.939 2.633 20 0 HFADMO CC[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccccc1OC ZINC000805098788 1078885992 /nfs/dbraw/zinc/88/59/92/1078885992.db2.gz MOPQTEMBBPYQRZ-PHSGOXPASA-N 1 1 402.539 2.529 20 0 HFADMO COC(=O)N1CCC(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000805099335 1078886450 /nfs/dbraw/zinc/88/64/50/1078886450.db2.gz HLPGVPPEJOKPAO-SEJPIABJSA-N 1 1 414.550 2.960 20 0 HFADMO Cc1nc(S(=O)(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c(Br)n1C ZINC000805087788 1078916219 /nfs/dbraw/zinc/91/62/19/1078916219.db2.gz PMFADSALXKOFIO-CQSZACIVSA-N 1 1 419.389 2.566 20 0 HFADMO CCOCCC[N@H+]1CC[C@H](NC(=O)NCc2cccc(NC(=O)OC)c2)[C@@H](C)C1 ZINC000805124515 1078923041 /nfs/dbraw/zinc/92/30/41/1078923041.db2.gz OTISDUVQQUIHQK-LPHOPBHVSA-N 1 1 406.527 2.801 20 0 HFADMO Cc1ccccc1[C@@H](O)C1CCN(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000805139356 1078936591 /nfs/dbraw/zinc/93/65/91/1078936591.db2.gz REGHGKLGRLFQLE-REWPJTCUSA-N 1 1 414.594 2.619 20 0 HFADMO Cc1ccccc1[C@@H](O)C1CCN(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000805139356 1078936592 /nfs/dbraw/zinc/93/65/92/1078936592.db2.gz REGHGKLGRLFQLE-REWPJTCUSA-N 1 1 414.594 2.619 20 0 HFADMO CC(C)Oc1ccc([C@H](CNS(=O)(=O)c2cnn(CC3CC3)c2)[NH+](C)C)cc1 ZINC000805134707 1078931575 /nfs/dbraw/zinc/93/15/75/1078931575.db2.gz GUFCOMFOPKYBLV-FQEVSTJZSA-N 1 1 406.552 2.662 20 0 HFADMO O=C(COc1ccc(C2SCCCS2)cc1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747230934 1078945468 /nfs/dbraw/zinc/94/54/68/1078945468.db2.gz DBQUIUUHDRWMIG-SJLPKXTDSA-N 1 1 408.589 2.914 20 0 HFADMO CCc1ccc([C@H](O)CNC(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000805149303 1078946184 /nfs/dbraw/zinc/94/61/84/1078946184.db2.gz BKJRRXNJBVFBES-WMZHIEFXSA-N 1 1 410.562 2.792 20 0 HFADMO CS[C@@H]1CC[C@H](NC(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000805159307 1078951405 /nfs/dbraw/zinc/95/14/05/1078951405.db2.gz LKGXTUDPZLPXRH-PCCBWWKXSA-N 1 1 402.608 2.872 20 0 HFADMO COC(=O)N1CCC(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000805170546 1078957688 /nfs/dbraw/zinc/95/76/88/1078957688.db2.gz HOPGRBNJOFKOPE-PXNSSMCTSA-N 1 1 402.539 2.675 20 0 HFADMO C[C@](O)(CCNC(=O)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000805198910 1078971746 /nfs/dbraw/zinc/97/17/46/1078971746.db2.gz VHWMULYDJLLNGH-DQEYMECFSA-N 1 1 423.557 2.571 20 0 HFADMO COC(=O)N1CCC(CNC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000805274955 1079004524 /nfs/dbraw/zinc/00/45/24/1079004524.db2.gz XMXTYDWIQCKRJB-XLIONFOSSA-N 1 1 402.539 2.675 20 0 HFADMO Cc1cccc(-n2ncc(C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)c2C(F)(F)F)c1 ZINC000747235898 1079004612 /nfs/dbraw/zinc/00/46/12/1079004612.db2.gz JDVFDYXMPDKMOA-CVEARBPZSA-N 1 1 408.424 2.793 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000747236685 1079011816 /nfs/dbraw/zinc/01/18/16/1079011816.db2.gz NUJSXPFXUKUCJT-QWHCGFSZSA-N 1 1 412.387 2.623 20 0 HFADMO O=C(COC(=O)c1cc(Cl)ccc1F)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000805366940 1079049766 /nfs/dbraw/zinc/04/97/66/1079049766.db2.gz QWUVXVGBEQMHQZ-UHFFFAOYSA-N 1 1 412.889 2.787 20 0 HFADMO CCc1ccc(N2CCN(C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)CC2)cc1Cl ZINC000805446813 1079098583 /nfs/dbraw/zinc/09/85/83/1079098583.db2.gz XNGVVXAQJSTGLX-UHFFFAOYSA-N 1 1 422.017 2.760 20 0 HFADMO CC(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)n1 ZINC001130224862 1079107862 /nfs/dbraw/zinc/10/78/62/1079107862.db2.gz FZTXAAKVTXNHOW-FKSLSLAPSA-N 1 1 403.571 2.755 20 0 HFADMO CC(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)n[nH]1 ZINC001130224862 1079107865 /nfs/dbraw/zinc/10/78/65/1079107865.db2.gz FZTXAAKVTXNHOW-FKSLSLAPSA-N 1 1 403.571 2.755 20 0 HFADMO COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000747246576 1079123884 /nfs/dbraw/zinc/12/38/84/1079123884.db2.gz ARPZNGDTBKGARM-JCKYIPBCSA-N 1 1 406.479 2.593 20 0 HFADMO COC(=O)C(C)(C)C(=O)[C@@H](C)OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000805572047 1079143709 /nfs/dbraw/zinc/14/37/09/1079143709.db2.gz VXTYITFWNCWZAD-ZBFHGGJFSA-N 1 1 411.445 2.844 20 0 HFADMO COC(=O)C(C)(C)C(=O)[C@@H](C)OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000805572047 1079143719 /nfs/dbraw/zinc/14/37/19/1079143719.db2.gz VXTYITFWNCWZAD-ZBFHGGJFSA-N 1 1 411.445 2.844 20 0 HFADMO CNC(=O)c1cncc(/C=C/C(=O)N(C(C)C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001130257194 1079146098 /nfs/dbraw/zinc/14/60/98/1079146098.db2.gz MUCAZIMHHFPKIK-CZQLGGELSA-N 1 1 406.530 2.966 20 0 HFADMO C[C@H](CNC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259651 1079149229 /nfs/dbraw/zinc/14/92/29/1079149229.db2.gz IMJLLEKSSKMNFX-CROMWVBPSA-N 1 1 421.541 2.998 20 0 HFADMO C[C@H](CNC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259651 1079149237 /nfs/dbraw/zinc/14/92/37/1079149237.db2.gz IMJLLEKSSKMNFX-CROMWVBPSA-N 1 1 421.541 2.998 20 0 HFADMO COc1ccc(Cl)cc1N1C[C@H](C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1=O ZINC001130301390 1079193312 /nfs/dbraw/zinc/19/33/12/1079193312.db2.gz MTUQTOGQYFITCI-OIISXLGYSA-N 1 1 405.926 2.835 20 0 HFADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2ccnc(-c3ccc(Cl)cc3)n2)CC1 ZINC000805657757 1079206609 /nfs/dbraw/zinc/20/66/09/1079206609.db2.gz MTRLXSBTVDQOMO-CQSZACIVSA-N 1 1 402.882 2.506 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCOC2CCC2)C1 ZINC000805747838 1079229478 /nfs/dbraw/zinc/22/94/78/1079229478.db2.gz HVDDFTLPKBXBDB-HKUYNNGSSA-N 1 1 409.571 2.783 20 0 HFADMO CCCNC(=O)OC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000805774558 1079246505 /nfs/dbraw/zinc/24/65/05/1079246505.db2.gz NFUGGYHZXNKBMI-OAHLLOKOSA-N 1 1 424.929 2.758 20 0 HFADMO COC(=O)N1CCC(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000805832364 1079271903 /nfs/dbraw/zinc/27/19/03/1079271903.db2.gz WACBOKHVOPSNOO-WMZOPIPTSA-N 1 1 408.568 2.909 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000805765667 1079265933 /nfs/dbraw/zinc/26/59/33/1079265933.db2.gz OBYXJONASRLXGY-FHWLQOOXSA-N 1 1 409.571 2.926 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000805765694 1079265997 /nfs/dbraw/zinc/26/59/97/1079265997.db2.gz OOSXILUPXSOYQQ-MOPGFXCFSA-N 1 1 417.550 2.876 20 0 HFADMO CNC(=O)OC[C@@H]1CCCC[N@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000805827501 1079297760 /nfs/dbraw/zinc/29/77/60/1079297760.db2.gz KXFXCTVMFBGVOV-GJZGRUSLSA-N 1 1 419.291 2.538 20 0 HFADMO C[C@H](CN1CCOCC1)[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001170490498 1079317541 /nfs/dbraw/zinc/31/75/41/1079317541.db2.gz MWXWOIWDYFCEDS-WBVHZDCISA-N 1 1 414.331 2.876 20 0 HFADMO COCC[N@H+]1CCN(C(=O)COc2ccc(Br)cc2F)C(C)(C)C1 ZINC001130416707 1079335140 /nfs/dbraw/zinc/33/51/40/1079335140.db2.gz AGLIGLPPEHQEOT-UHFFFAOYSA-N 1 1 403.292 2.536 20 0 HFADMO C[C@H](CNC(=O)C(=O)N1CCC([C@@H](O)c2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000805940797 1079343779 /nfs/dbraw/zinc/34/37/79/1079343779.db2.gz CNABHOLNDKYTDC-XXBNENTESA-N 1 1 423.557 2.595 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)ccc1F ZINC000747281653 1079352718 /nfs/dbraw/zinc/35/27/18/1079352718.db2.gz HPFGCJMAVHJFRX-HNNXBMFYSA-N 1 1 408.495 2.801 20 0 HFADMO C[C@H](CCNS(=O)(=O)c1ccc2oc(=O)ccc2c1)[N@@H+](C)Cc1ccccc1 ZINC000747281771 1079352765 /nfs/dbraw/zinc/35/27/65/1079352765.db2.gz ICNYYENQQBZOAT-MRXNPFEDSA-N 1 1 400.500 2.982 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)ccc1F ZINC000747282292 1079355565 /nfs/dbraw/zinc/35/55/65/1079355565.db2.gz MRTNWKKDHQRDGN-MRXNPFEDSA-N 1 1 406.479 2.507 20 0 HFADMO C[C@@H]1CN(C(=O)Cn2c3ccccc3n(C)c2=O)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001130455003 1079378964 /nfs/dbraw/zinc/37/89/64/1079378964.db2.gz RYHXUFJTEIWLKB-GUDVDZBRSA-N 1 1 406.530 2.850 20 0 HFADMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC001130458887 1079382701 /nfs/dbraw/zinc/38/27/01/1079382701.db2.gz WTKQYZBBRJZIND-UVPKRVSESA-N 1 1 405.542 2.954 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cc1 ZINC000747284155 1079384253 /nfs/dbraw/zinc/38/42/53/1079384253.db2.gz XHUGPYUKDRGXLB-YPNIWSFNSA-N 1 1 414.527 2.768 20 0 HFADMO C[C@H](CNC(=O)COCCc1ccc(Br)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130475684 1079389628 /nfs/dbraw/zinc/38/96/28/1079389628.db2.gz SKMVZARIMBMNFM-OAGGEKHMSA-N 1 1 413.356 2.622 20 0 HFADMO C[C@H](CNC(=O)COCCc1ccc(Br)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130475684 1079389637 /nfs/dbraw/zinc/38/96/37/1079389637.db2.gz SKMVZARIMBMNFM-OAGGEKHMSA-N 1 1 413.356 2.622 20 0 HFADMO CCOC(=O)N1[C@H](C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1c1ccc(C)o1 ZINC001130472221 1079398854 /nfs/dbraw/zinc/39/88/54/1079398854.db2.gz NQQVRDWMQWCZBI-IQRFUGTFSA-N 1 1 421.538 2.864 20 0 HFADMO CCOC(=O)N1[C@H](C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1c1ccc(C)o1 ZINC001130472221 1079398860 /nfs/dbraw/zinc/39/88/60/1079398860.db2.gz NQQVRDWMQWCZBI-IQRFUGTFSA-N 1 1 421.538 2.864 20 0 HFADMO C[NH+](C)[C@H](CNC(=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1ccco1 ZINC000747300571 1079417038 /nfs/dbraw/zinc/41/70/38/1079417038.db2.gz ZZQCGIFSRXYIEY-HUUCEWRRSA-N 1 1 401.385 2.814 20 0 HFADMO COC(=O)[C@@H]1CN(C(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C[C@H]1C1CC1 ZINC001130526745 1079435642 /nfs/dbraw/zinc/43/56/42/1079435642.db2.gz LRLZAKLAFYTJBJ-WWEWDKITSA-N 1 1 400.519 2.567 20 0 HFADMO CCc1ncc(Cl)c(C(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001130527165 1079436470 /nfs/dbraw/zinc/43/64/70/1079436470.db2.gz ANVHXZJXDWRZDT-ZWKOTPCHSA-N 1 1 400.910 2.808 20 0 HFADMO CCCCNS(=O)(=O)c1cccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000806170716 1079461489 /nfs/dbraw/zinc/46/14/89/1079461489.db2.gz AEXSPKMKPQLNCS-JWTNVVGKSA-N 1 1 408.568 2.854 20 0 HFADMO Cn1nc(C(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)cc1C(F)(F)F ZINC001130527861 1079464404 /nfs/dbraw/zinc/46/44/04/1079464404.db2.gz IZTLZSLYGSRCGQ-SJORKVTESA-N 1 1 408.424 2.554 20 0 HFADMO C[C@@H]([NH2+]Cc1nccc(C(F)F)n1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000806184059 1079477504 /nfs/dbraw/zinc/47/75/04/1079477504.db2.gz QICYZZGUOSEZRM-RHSMWYFYSA-N 1 1 406.433 2.930 20 0 HFADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2ccccc2OCc2csc(C)n2)CC1 ZINC000806199011 1079485824 /nfs/dbraw/zinc/48/58/24/1079485824.db2.gz UELFZKNHTZPSQN-OAHLLOKOSA-N 1 1 417.531 2.740 20 0 HFADMO CC(C)N(C)c1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1F ZINC000806210517 1079495446 /nfs/dbraw/zinc/49/54/46/1079495446.db2.gz SJAFKLQKASXPLH-AYHJJNSGSA-N 1 1 419.545 2.875 20 0 HFADMO O=C(Nc1ccc(-n2nccn2)nc1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000806212404 1079497104 /nfs/dbraw/zinc/49/71/04/1079497104.db2.gz PDVGYJPGAWJPSR-QFIPXVFZSA-N 1 1 403.490 2.792 20 0 HFADMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000746676207 1076750557 /nfs/dbraw/zinc/75/05/57/1076750557.db2.gz IEOYNXSHOABBAV-PKOBYXMFSA-N 1 1 412.534 2.616 20 0 HFADMO CCOCCC[N@H+]1CC[C@H](NCc2ccc(S(=O)(=O)C(F)F)cc2)[C@H](C)C1 ZINC000787303307 1076752060 /nfs/dbraw/zinc/75/20/60/1076752060.db2.gz KYDWMALSXHAFDZ-QAPCUYQASA-N 1 1 404.523 2.910 20 0 HFADMO O=C(Cn1c(=O)c2ccccc2[nH]c1=S)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000746680467 1076777007 /nfs/dbraw/zinc/77/70/07/1076777007.db2.gz CYHYWCZNFCZAIW-IBGZPJMESA-N 1 1 408.527 2.639 20 0 HFADMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787370713 1076777783 /nfs/dbraw/zinc/77/77/83/1076777783.db2.gz CJUJZJBGVPGZPY-HZPDHXFCSA-N 1 1 405.543 2.548 20 0 HFADMO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787370713 1076777784 /nfs/dbraw/zinc/77/77/84/1076777784.db2.gz CJUJZJBGVPGZPY-HZPDHXFCSA-N 1 1 405.543 2.548 20 0 HFADMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787370713 1076777786 /nfs/dbraw/zinc/77/77/86/1076777786.db2.gz CJUJZJBGVPGZPY-HZPDHXFCSA-N 1 1 405.543 2.548 20 0 HFADMO C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000746677668 1076792115 /nfs/dbraw/zinc/79/21/15/1076792115.db2.gz SDGIANYKBAKLEH-CVEARBPZSA-N 1 1 400.548 2.770 20 0 HFADMO C[C@@H]1CN(c2ccc(NC(=O)C[N@H+]3CC[C@H](Cc4cnn(C)c4)C3)cc2)C[C@@H](C)O1 ZINC000746679116 1076795402 /nfs/dbraw/zinc/79/54/02/1076795402.db2.gz OAVCRJANBZCFNQ-GUDVDZBRSA-N 1 1 411.550 2.537 20 0 HFADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)[C@@H](C)C1 ZINC000787387539 1076804574 /nfs/dbraw/zinc/80/45/74/1076804574.db2.gz MMVMTQPGLHURHS-BXWFABGCSA-N 1 1 419.570 2.936 20 0 HFADMO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)[C@@H](C)C1 ZINC000787387539 1076804579 /nfs/dbraw/zinc/80/45/79/1076804579.db2.gz MMVMTQPGLHURHS-BXWFABGCSA-N 1 1 419.570 2.936 20 0 HFADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)[C@@H](C)C1 ZINC000787387539 1076804584 /nfs/dbraw/zinc/80/45/84/1076804584.db2.gz MMVMTQPGLHURHS-BXWFABGCSA-N 1 1 419.570 2.936 20 0 HFADMO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787396235 1076807082 /nfs/dbraw/zinc/80/70/82/1076807082.db2.gz YAGYDGQOAZYVGU-DLBZAZTESA-N 1 1 419.570 2.938 20 0 HFADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@]2(Cc3ccccc3)CCN(C)C2=O)CC1 ZINC001170073171 1076815165 /nfs/dbraw/zinc/81/51/65/1076815165.db2.gz SGNHZQNKAIUSEO-CJFMBICVSA-N 1 1 405.542 2.983 20 0 HFADMO C[NH+]1CCC2(CCCN2C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC1 ZINC000787490802 1076823973 /nfs/dbraw/zinc/82/39/73/1076823973.db2.gz SUCZLULQESPNSC-INIZCTEOSA-N 1 1 417.554 2.835 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCSC[C@@H]2c2ccccc2)cn1 ZINC000787491571 1076824569 /nfs/dbraw/zinc/82/45/69/1076824569.db2.gz UIWOVYXBFNPMLV-LJQANCHMSA-N 1 1 421.526 2.509 20 0 HFADMO C[C@H](NC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)C1=CC[N@@H+](C)CC1 ZINC000787511916 1076830935 /nfs/dbraw/zinc/83/09/35/1076830935.db2.gz ZYEGEJGAGIOXBQ-GOEBONIOSA-N 1 1 403.527 2.514 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)cn1 ZINC000787476817 1076837281 /nfs/dbraw/zinc/83/72/81/1076837281.db2.gz FORGVPUJDZHMOJ-QUCCMNQESA-N 1 1 421.476 2.784 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)cn1 ZINC000787478501 1076838543 /nfs/dbraw/zinc/83/85/43/1076838543.db2.gz QAQYFDRTBMEHFG-QVKFZJNVSA-N 1 1 421.476 2.941 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(Cc2ccccc2F)C2CC2)cn1 ZINC000787480240 1076838573 /nfs/dbraw/zinc/83/85/73/1076838573.db2.gz YPXHMHQUILJSJV-UHFFFAOYSA-N 1 1 407.449 2.522 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)cn1 ZINC000787478502 1076838633 /nfs/dbraw/zinc/83/86/33/1076838633.db2.gz QAQYFDRTBMEHFG-VFNWGFHPSA-N 1 1 421.476 2.941 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H](CC2CC2)c2ccccc2)cn1 ZINC000787483989 1076841499 /nfs/dbraw/zinc/84/14/99/1076841499.db2.gz HPFVOXOYGMDYRR-HXUWFJFHSA-N 1 1 403.486 2.850 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2F)cn1 ZINC000787483516 1076842215 /nfs/dbraw/zinc/84/22/15/1076842215.db2.gz FTBVGUYPKOLIGC-MGPUTAFESA-N 1 1 421.476 2.941 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@H]2/C=C/c2ccccc2)cn1 ZINC000787483599 1076842278 /nfs/dbraw/zinc/84/22/78/1076842278.db2.gz GLXKYCAGJRUQKQ-ZUURVNMSSA-N 1 1 415.497 2.896 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCc2ccc(C3CCC3)cc2)cn1 ZINC000787483446 1076842296 /nfs/dbraw/zinc/84/22/96/1076842296.db2.gz DQESZIWJAONLFX-UHFFFAOYSA-N 1 1 403.486 2.776 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NC[C@H](c2ccccc2)C(C)C)cn1 ZINC000787485414 1076843551 /nfs/dbraw/zinc/84/35/51/1076843551.db2.gz IZWUDGPNCNRZJY-FQEVSTJZSA-N 1 1 405.502 2.748 20 0 HFADMO CCOc1ccccc1[C@H](CC)NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000787486356 1076844119 /nfs/dbraw/zinc/84/41/19/1076844119.db2.gz PRTPSXCJXQIEND-IBGZPJMESA-N 1 1 421.501 2.858 20 0 HFADMO C/C(=C/c1ccccc1)CN(C)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000787486468 1076844164 /nfs/dbraw/zinc/84/41/64/1076844164.db2.gz RODUBSWQGUBQDA-LGMDPLHJSA-N 1 1 403.486 2.754 20 0 HFADMO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)no1 ZINC000787626739 1076882931 /nfs/dbraw/zinc/88/29/31/1076882931.db2.gz OPMUICUOSKGOAI-FQEVSTJZSA-N 1 1 410.518 2.600 20 0 HFADMO Cc1csc([C@@](O)(CC(=O)OCCC[NH+]2CCN(C(C)C)CC2)C(F)(F)F)n1 ZINC000787605304 1076889326 /nfs/dbraw/zinc/88/93/26/1076889326.db2.gz AOCLOPZNWWHKDM-KRWDZBQOSA-N 1 1 423.501 2.551 20 0 HFADMO C[N@@H+]1C[C@H]2CN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)C[C@H]2C1 ZINC000787640767 1076892830 /nfs/dbraw/zinc/89/28/30/1076892830.db2.gz XLYNKXVMBVNWMR-QKLQHJQFSA-N 1 1 412.534 2.624 20 0 HFADMO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@H]1C[C@H](O)c1cccs1)c1ccsc1 ZINC000787657944 1076901218 /nfs/dbraw/zinc/90/12/18/1076901218.db2.gz ZJMJJOKKSDHEOS-BBWFWOEESA-N 1 1 421.588 2.643 20 0 HFADMO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000787672465 1076906288 /nfs/dbraw/zinc/90/62/88/1076906288.db2.gz SMFIAOOYACXHSG-RDJZCZTQSA-N 1 1 411.468 2.869 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@](C)(O)c1cccc(C(F)(F)F)c1 ZINC000787688166 1076912119 /nfs/dbraw/zinc/91/21/19/1076912119.db2.gz ZQKOWIQVBGPDHX-AUUYWEPGSA-N 1 1 400.441 2.625 20 0 HFADMO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NCCC[N@H+]1CCc3ccccc3C1)CCC2 ZINC000787707296 1076919808 /nfs/dbraw/zinc/91/98/08/1076919808.db2.gz DAXQXGUJBIKJEE-LJQANCHMSA-N 1 1 412.559 2.510 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@H]([NH+]2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000787711925 1076922878 /nfs/dbraw/zinc/92/28/78/1076922878.db2.gz PZTYOPHODRDLNH-OXQOHEQNSA-N 1 1 410.946 2.617 20 0 HFADMO C[N@H+]([C@@H]1CCN(c2ccccc2F)C1=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000787716855 1076924410 /nfs/dbraw/zinc/92/44/10/1076924410.db2.gz JXJUOBDHDNYNNH-JBYIUTFZSA-N 1 1 421.513 2.623 20 0 HFADMO C[N@@H+]([C@@H]1CCN(c2ccccc2F)C1=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000787716855 1076924413 /nfs/dbraw/zinc/92/44/13/1076924413.db2.gz JXJUOBDHDNYNNH-JBYIUTFZSA-N 1 1 421.513 2.623 20 0 HFADMO O=C(NCc1cnc(N2CCOCC2)s1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000787758663 1076929320 /nfs/dbraw/zinc/92/93/20/1076929320.db2.gz WXMLHJRDASPJHK-IBGZPJMESA-N 1 1 400.548 2.651 20 0 HFADMO O=C(NCc1cnc(N2CCOCC2)s1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000787758663 1076929322 /nfs/dbraw/zinc/92/93/22/1076929322.db2.gz WXMLHJRDASPJHK-IBGZPJMESA-N 1 1 400.548 2.651 20 0 HFADMO C[C@@H]1C[N@@H+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CCN1C(=O)OC(C)(C)C ZINC000787727818 1076932657 /nfs/dbraw/zinc/93/26/57/1076932657.db2.gz DEKAXDHVEBXEPD-WHSLLNHNSA-N 1 1 413.559 2.688 20 0 HFADMO C[C@@H]1C[N@H+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CCN1C(=O)OC(C)(C)C ZINC000787727818 1076932660 /nfs/dbraw/zinc/93/26/60/1076932660.db2.gz DEKAXDHVEBXEPD-WHSLLNHNSA-N 1 1 413.559 2.688 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@](C)(C[N@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)C1 ZINC000787772140 1076942250 /nfs/dbraw/zinc/94/22/50/1076942250.db2.gz YGBLVKUERDCXOJ-PGRDOPGGSA-N 1 1 409.571 2.737 20 0 HFADMO CN1CC[NH+](Cc2ccc(C(=O)NC[C@@H](O)c3cc(F)cc(Cl)c3)cc2)CC1 ZINC000787846277 1076962645 /nfs/dbraw/zinc/96/26/45/1076962645.db2.gz YZXZARVGBWRUQO-HXUWFJFHSA-N 1 1 405.901 2.690 20 0 HFADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)C1 ZINC000787908078 1076990442 /nfs/dbraw/zinc/99/04/42/1076990442.db2.gz GWXVZNBERCJXJO-SIKLNZKXSA-N 1 1 415.578 2.899 20 0 HFADMO CC(C)CCC[C@@H](C)[N@H+]1CCOC[C@]2(CC[C@@H](CNC(=O)c3cnccn3)O2)C1 ZINC001170079623 1076995312 /nfs/dbraw/zinc/99/53/12/1076995312.db2.gz FESAZUDYQHQNOP-DXIQSLLYSA-N 1 1 404.555 2.671 20 0 HFADMO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000787902109 1077004997 /nfs/dbraw/zinc/00/49/97/1077004997.db2.gz DOWCJLAONFZEEJ-TZIWHRDSSA-N 1 1 403.567 2.648 20 0 HFADMO C[C@H](Cc1ccco1)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000787950040 1077006271 /nfs/dbraw/zinc/00/62/71/1077006271.db2.gz DTBKCYPUDHLPKG-KAGYGMCKSA-N 1 1 409.530 2.840 20 0 HFADMO CC(C)CNC(=O)c1cccc(C[NH+]2CCC(CO)(NC(=O)OC(C)(C)C)CC2)c1 ZINC000788003170 1077025529 /nfs/dbraw/zinc/02/55/29/1077025529.db2.gz KXVCBINEWSGFMF-UHFFFAOYSA-N 1 1 419.566 2.924 20 0 HFADMO C[C@@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788004040 1077026319 /nfs/dbraw/zinc/02/63/19/1077026319.db2.gz RGRTXNHAAAMHNS-KRWDZBQOSA-N 1 1 417.550 2.706 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)[C@@H](C)C1 ZINC000788038227 1077036491 /nfs/dbraw/zinc/03/64/91/1077036491.db2.gz YXRUOKHHJDYDIH-GJZGRUSLSA-N 1 1 412.987 2.812 20 0 HFADMO CC(C)CCC[C@H](C)[N@@H+]1C[C@@H]2c3nc(N4CCCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001170081926 1077061482 /nfs/dbraw/zinc/06/14/82/1077061482.db2.gz QPOJNBFJRFQKBT-YTQUADARSA-N 1 1 406.596 2.988 20 0 HFADMO CC(C)CCC[C@H](C)[N@H+]1C[C@@H]2c3nc(N4CCCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001170081926 1077061487 /nfs/dbraw/zinc/06/14/87/1077061487.db2.gz QPOJNBFJRFQKBT-YTQUADARSA-N 1 1 406.596 2.988 20 0 HFADMO CC(C)CCC[C@@H](C)[N@H+]1CCCn2c(=O)cc(CNC(=O)N3CCCC3)nc2C1 ZINC001170082163 1077065006 /nfs/dbraw/zinc/06/50/06/1077065006.db2.gz JELVLOPBOULXHE-GOSISDBHSA-N 1 1 403.571 2.969 20 0 HFADMO O=C(c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000788197039 1077076938 /nfs/dbraw/zinc/07/69/38/1077076938.db2.gz ZFRFZWQZZJIJRA-HXUWFJFHSA-N 1 1 402.454 2.826 20 0 HFADMO C[N@H+](CCCCO)Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000788268756 1077093732 /nfs/dbraw/zinc/09/37/32/1077093732.db2.gz GHVVKELYTXDGQD-UHFFFAOYSA-N 1 1 410.399 2.790 20 0 HFADMO C[N@@H+](CCCCO)Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000788268756 1077093736 /nfs/dbraw/zinc/09/37/36/1077093736.db2.gz GHVVKELYTXDGQD-UHFFFAOYSA-N 1 1 410.399 2.790 20 0 HFADMO CCOC(=O)N1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)CC1 ZINC000746742857 1077114214 /nfs/dbraw/zinc/11/42/14/1077114214.db2.gz OLKQRJHIAMNNRJ-SFHVURJKSA-N 1 1 402.539 2.913 20 0 HFADMO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](Cn2c3ccccc3nc2SC(F)F)C1 ZINC000788389899 1077121782 /nfs/dbraw/zinc/12/17/82/1077121782.db2.gz WTYKHUANSCYTBI-ZDUSSCGKSA-N 1 1 416.519 2.808 20 0 HFADMO O=S1(=O)CCCN1[C@H]1CCC[N@H+](Cn2c3ccccc3nc2SC(F)F)C1 ZINC000788389899 1077121783 /nfs/dbraw/zinc/12/17/83/1077121783.db2.gz WTYKHUANSCYTBI-ZDUSSCGKSA-N 1 1 416.519 2.808 20 0 HFADMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC3CCC4(CC3)OCCO4)cc2)C1 ZINC000788443517 1077161222 /nfs/dbraw/zinc/16/12/22/1077161222.db2.gz SCRWOKLHFRZMDI-IBGZPJMESA-N 1 1 415.534 2.646 20 0 HFADMO COc1ccc2cc(CN(C)C(=O)C[NH+]3CCC([C@H](O)c4ncc[nH]4)CC3)ccc2c1 ZINC000788473194 1077170696 /nfs/dbraw/zinc/17/06/96/1077170696.db2.gz ICDSKFGZOBRCLY-QHCPKHFHSA-N 1 1 422.529 2.976 20 0 HFADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCCSC(F)(F)F ZINC000788543301 1077194676 /nfs/dbraw/zinc/19/46/76/1077194676.db2.gz STNYKLRNVKYDMN-INIZCTEOSA-N 1 1 417.497 2.726 20 0 HFADMO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000788611022 1077207174 /nfs/dbraw/zinc/20/71/74/1077207174.db2.gz WUGZHGGFLQWFQX-VQIMIIECSA-N 1 1 402.539 2.635 20 0 HFADMO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000788611022 1077207177 /nfs/dbraw/zinc/20/71/77/1077207177.db2.gz WUGZHGGFLQWFQX-VQIMIIECSA-N 1 1 402.539 2.635 20 0 HFADMO C[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1nc(Br)ccc1F ZINC000788565948 1077208162 /nfs/dbraw/zinc/20/81/62/1077208162.db2.gz XECXRKXCFDWHST-QWRGUYRKSA-N 1 1 413.243 2.802 20 0 HFADMO O=C(C[NH+]1CCC(F)(c2ccccn2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC001170086808 1077218210 /nfs/dbraw/zinc/21/82/10/1077218210.db2.gz XYFBAIRDBGXKAP-UHFFFAOYSA-N 1 1 400.473 2.830 20 0 HFADMO COC(=O)c1sc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c(C)c1Cl ZINC000788622421 1077232855 /nfs/dbraw/zinc/23/28/55/1077232855.db2.gz CBMNOBGVDBGRFW-GFCCVEGCSA-N 1 1 406.957 2.745 20 0 HFADMO COC(=O)c1sc(S(=O)(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c(C)c1Cl ZINC000788677683 1077247352 /nfs/dbraw/zinc/24/73/52/1077247352.db2.gz VYUCHYFMQROOFI-WDEREUQCSA-N 1 1 408.973 2.895 20 0 HFADMO CN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788687836 1077251190 /nfs/dbraw/zinc/25/11/90/1077251190.db2.gz GETRCAHRVUHRND-FGZHOGPDSA-N 1 1 406.530 2.703 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000790969134 1077258498 /nfs/dbraw/zinc/25/84/98/1077258498.db2.gz VQOILKVCJVEQOO-HNNXBMFYSA-N 1 1 419.526 2.604 20 0 HFADMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cccc(NN4C(=O)[C@@H]5CC=CC[C@@H]5C4=O)c3)CC[C@H]21 ZINC000788668622 1077261220 /nfs/dbraw/zinc/26/12/20/1077261220.db2.gz QHLBQTJITMAYDC-AYWYSENESA-N 1 1 422.529 2.521 20 0 HFADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000788716352 1077269293 /nfs/dbraw/zinc/26/92/93/1077269293.db2.gz VUUYDIKBUVHAGH-TZIWHRDSSA-N 1 1 400.567 2.941 20 0 HFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000788714712 1077269303 /nfs/dbraw/zinc/26/93/03/1077269303.db2.gz HBJJQGDXNNKDBV-ZVDOUQERSA-N 1 1 400.567 2.797 20 0 HFADMO Cc1cc(C)c(N2CC[C@H](NC(=O)NC[C@@H]3CC[N@H+](CC(C)C)C3)C2=O)c(C)c1 ZINC000788809498 1077294170 /nfs/dbraw/zinc/29/41/70/1077294170.db2.gz KUAZSTBXQQYBIT-PMACEKPBSA-N 1 1 400.567 2.994 20 0 HFADMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)C1 ZINC000788772090 1077295761 /nfs/dbraw/zinc/29/57/61/1077295761.db2.gz ONXJACMPGXEDEQ-RTBURBONSA-N 1 1 415.534 2.798 20 0 HFADMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)C1 ZINC000788772090 1077295769 /nfs/dbraw/zinc/29/57/69/1077295769.db2.gz ONXJACMPGXEDEQ-RTBURBONSA-N 1 1 415.534 2.798 20 0 HFADMO C[C@H]1CCCN(C(=O)C2CC[NH+](CN3C(=O)C[C@@H](Cc4ccccc4)C3=O)CC2)C1 ZINC000788773807 1077297292 /nfs/dbraw/zinc/29/72/92/1077297292.db2.gz ZGSKCKTYIFIMLO-GHTZIAJQSA-N 1 1 411.546 2.532 20 0 HFADMO CCOC(=O)[C@@H]1[C@@H]([NH2+]Cc2ccc3c(n2)CCCC3)CCN1C(=O)OC(C)(C)C ZINC000788774903 1077297435 /nfs/dbraw/zinc/29/74/35/1077297435.db2.gz IPNCCWMPXKSLIL-OALUTQOASA-N 1 1 403.523 2.991 20 0 HFADMO O=C([C@H]1CC12CC[NH+](CN1C(=O)C[C@H](Cc3ccccc3)C1=O)CC2)N1CCCCC1 ZINC000788777002 1077297973 /nfs/dbraw/zinc/29/79/73/1077297973.db2.gz JEGAIIDHBRBGBS-LEWJYISDSA-N 1 1 423.557 2.676 20 0 HFADMO CN1CC[NH+](Cc2ccc(C(=O)N3CCC(Oc4ccc(F)nc4)CC3)cc2)CC1 ZINC000791163761 1077313595 /nfs/dbraw/zinc/31/35/95/1077313595.db2.gz KCUPJZCCPRVLLS-UHFFFAOYSA-N 1 1 412.509 2.652 20 0 HFADMO C[N@@H+](C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)[C@@H](CCO)c1ccccc1 ZINC000788847046 1077318280 /nfs/dbraw/zinc/31/82/80/1077318280.db2.gz PDRCRONXIGCOFV-ICSRJNTNSA-N 1 1 419.566 2.805 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000788875468 1077326158 /nfs/dbraw/zinc/32/61/58/1077326158.db2.gz QZTMTZWLFOAYTN-UHFFFAOYSA-N 1 1 402.583 2.972 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000788875468 1077326165 /nfs/dbraw/zinc/32/61/65/1077326165.db2.gz QZTMTZWLFOAYTN-UHFFFAOYSA-N 1 1 402.583 2.972 20 0 HFADMO CC(=O)c1cc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)ccc1Br ZINC000788921531 1077335830 /nfs/dbraw/zinc/33/58/30/1077335830.db2.gz YIXNJUXQAVPGRH-GFCCVEGCSA-N 1 1 403.342 2.804 20 0 HFADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000788914640 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WZHKHZKBBVUGDO-FUHWJXTLSA-N 1 1 410.518 2.615 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000789220196 1077448790 /nfs/dbraw/zinc/44/87/90/1077448790.db2.gz RPQRRPRCBWWHCV-KRWDZBQOSA-N 1 1 412.575 2.528 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000789220196 1077448796 /nfs/dbraw/zinc/44/87/96/1077448796.db2.gz RPQRRPRCBWWHCV-KRWDZBQOSA-N 1 1 412.575 2.528 20 0 HFADMO CC(C)(C)OC(=O)N1CCc2ccc(C(=O)OCCC[NH+]3CCOCC3)cc2CC1 ZINC000789209821 1077463560 /nfs/dbraw/zinc/46/35/60/1077463560.db2.gz RSRQHBLLXBXTIX-UHFFFAOYSA-N 1 1 418.534 2.901 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C[C@H](C)O1 ZINC000789254632 1077475390 /nfs/dbraw/zinc/47/53/90/1077475390.db2.gz ZQUPMYATFJSDSK-FJIDUMEYSA-N 1 1 412.575 2.525 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C[C@H](C)O1 ZINC000789254632 1077475394 /nfs/dbraw/zinc/47/53/94/1077475394.db2.gz ZQUPMYATFJSDSK-FJIDUMEYSA-N 1 1 412.575 2.525 20 0 HFADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)c2cn(C)nc2-c2ccoc2)CC1 ZINC000789258376 1077478687 /nfs/dbraw/zinc/47/86/87/1077478687.db2.gz FPOZAEFAWAZESA-QGZVFWFLSA-N 1 1 422.485 2.742 20 0 HFADMO C[C@H](OC(=O)c1cn(C)nc1-c1ccoc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000789262345 1077487616 /nfs/dbraw/zinc/48/76/16/1077487616.db2.gz UMAPVCRMZDMAGM-QFBILLFUSA-N 1 1 422.485 2.616 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc3ccccc3)C2)c1 ZINC000791590025 1077494217 /nfs/dbraw/zinc/49/42/17/1077494217.db2.gz SZQGUQAJZBMIDZ-KSFYIVLOSA-N 1 1 411.502 2.834 20 0 HFADMO Cc1nc(C)c(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)o1 ZINC001086600482 1077506994 /nfs/dbraw/zinc/50/69/94/1077506994.db2.gz WDDFOZFMAUIWHP-FIQGOXITSA-N 1 1 407.514 2.799 20 0 HFADMO CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+](C[C@@H](O)C3CCCCC3)C2)CC1 ZINC000789310841 1077509226 /nfs/dbraw/zinc/50/92/26/1077509226.db2.gz WDEPJZDUNSHTMB-VQTJNVASSA-N 1 1 423.598 2.719 20 0 HFADMO Cc1cc(C)c(N2CC[C@H]([NH+]3CCC(Oc4ccnc(C(N)=O)c4)CC3)C2=O)c(C)c1 ZINC000789360134 1077511937 /nfs/dbraw/zinc/51/19/37/1077511937.db2.gz XZKRNWVWQFJDQQ-NRFANRHFSA-N 1 1 422.529 2.754 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@H]2CCCCN2C(=O)c2cccs2)CC1 ZINC000791674357 1077524887 /nfs/dbraw/zinc/52/48/87/1077524887.db2.gz HJFQNXYQMSNLAA-GOSISDBHSA-N 1 1 407.580 2.702 20 0 HFADMO CC[C@@H]1CCc2nc(NC(=O)C(=O)NCc3cccnc3-n3cc[nH+]c3C)sc2C1 ZINC000789387481 1077533140 /nfs/dbraw/zinc/53/31/40/1077533140.db2.gz HXKLWZHTFIXGSF-CQSZACIVSA-N 1 1 424.530 2.802 20 0 HFADMO COc1ccc(C)cc1CNC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000789393313 1077536143 /nfs/dbraw/zinc/53/61/43/1077536143.db2.gz OMSYVWFOIZHWBD-XMMPIXPASA-N 1 1 409.530 2.648 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCc1ccc(S(N)(=O)=O)cc1 ZINC000789362760 1077538300 /nfs/dbraw/zinc/53/83/00/1077538300.db2.gz BAKBBZKBPVIOSI-HNNXBMFYSA-N 1 1 403.504 2.526 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000789363512 1077539122 /nfs/dbraw/zinc/53/91/22/1077539122.db2.gz FMFBGRWISGDSGH-AWEZNQCLSA-N 1 1 407.492 2.680 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000789363512 1077539124 /nfs/dbraw/zinc/53/91/24/1077539124.db2.gz FMFBGRWISGDSGH-AWEZNQCLSA-N 1 1 407.492 2.680 20 0 HFADMO C[C@H](NC(=O)c1cccnc1S(=O)(=O)C(F)(F)F)[C@@H](c1ccccc1)[NH+](C)C ZINC000791719614 1077539294 /nfs/dbraw/zinc/53/92/94/1077539294.db2.gz NRXHQWHHDQWADJ-WFASDCNBSA-N 1 1 415.437 2.796 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC(=O)NC(=O)NCc1ccccc1 ZINC000789367348 1077540744 /nfs/dbraw/zinc/54/07/44/1077540744.db2.gz ZWKOUPNZAXHGGX-INIZCTEOSA-N 1 1 410.474 2.662 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC(=O)NC(=O)NCc1ccccc1 ZINC000789367348 1077540745 /nfs/dbraw/zinc/54/07/45/1077540745.db2.gz ZWKOUPNZAXHGGX-INIZCTEOSA-N 1 1 410.474 2.662 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000789367408 1077540770 /nfs/dbraw/zinc/54/07/70/1077540770.db2.gz YUCPPTMQFGVGPM-MRXNPFEDSA-N 1 1 424.501 2.977 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000789367408 1077540775 /nfs/dbraw/zinc/54/07/75/1077540775.db2.gz YUCPPTMQFGVGPM-MRXNPFEDSA-N 1 1 424.501 2.977 20 0 HFADMO CCC[C@H](CCCS(C)(=O)=O)C(=O)O[C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000789421978 1077551759 /nfs/dbraw/zinc/55/17/59/1077551759.db2.gz NCMNETPLQCKUMV-MSOLQXFVSA-N 1 1 411.568 2.847 20 0 HFADMO C[C@@H](CCNC(=O)C(=O)Nc1ccccc1N1CCOC1=O)[N@@H+](C)Cc1ccccc1 ZINC000746811275 1077552438 /nfs/dbraw/zinc/55/24/38/1077552438.db2.gz RBAADLPPVSRGIR-KRWDZBQOSA-N 1 1 424.501 2.609 20 0 HFADMO O=C(CCS(=O)(=O)c1ccc(F)cc1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000791819909 1077567200 /nfs/dbraw/zinc/56/72/00/1077567200.db2.gz MHUZXCPOEKWTPQ-GOSISDBHSA-N 1 1 404.507 2.628 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)CSc2nnc(-c3cccs3)n2C)CC1 ZINC000791827424 1077575588 /nfs/dbraw/zinc/57/55/88/1077575588.db2.gz ZBWAHHFDUNTTPY-UHFFFAOYSA-N 1 1 423.608 2.595 20 0 HFADMO O=C(CCC(=O)N1CCOc2ccccc21)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000791827185 1077575653 /nfs/dbraw/zinc/57/56/53/1077575653.db2.gz XRIBCBXFPJEMQY-HXUWFJFHSA-N 1 1 407.514 2.831 20 0 HFADMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000791828377 1077576305 /nfs/dbraw/zinc/57/63/05/1077576305.db2.gz NDYNSXVLVSRHIM-IRXDYDNUSA-N 1 1 413.440 2.788 20 0 HFADMO CC(=O)N1CC[C@](C)(C(=O)NN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000746823579 1077594940 /nfs/dbraw/zinc/59/49/40/1077594940.db2.gz BJDDJABLYQWLRU-VWLOTQADSA-N 1 1 420.557 2.683 20 0 HFADMO CN(C)S(=O)(=O)c1ccc2oc(=S)n(C[N@@H+]3CCC[C@H]3[C@H]3CCCO3)c2c1 ZINC000789499089 1077596257 /nfs/dbraw/zinc/59/62/57/1077596257.db2.gz APPHENDZHJBPPA-GOEBONIOSA-N 1 1 411.549 2.815 20 0 HFADMO CN(C)S(=O)(=O)c1ccc2oc(=S)n(C[N@H+]3CCC[C@H]3[C@H]3CCCO3)c2c1 ZINC000789499089 1077596263 /nfs/dbraw/zinc/59/62/63/1077596263.db2.gz APPHENDZHJBPPA-GOEBONIOSA-N 1 1 411.549 2.815 20 0 HFADMO C[C@]1(c2ccc(Br)cc2)NC(=O)N(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)C1=O ZINC000789507803 1077601435 /nfs/dbraw/zinc/60/14/35/1077601435.db2.gz PIMHGXKUOAFYPP-GPMSIDNRSA-N 1 1 422.323 2.817 20 0 HFADMO C[C@]1(c2ccc(Br)cc2)NC(=O)N(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)C1=O ZINC000789507803 1077601437 /nfs/dbraw/zinc/60/14/37/1077601437.db2.gz PIMHGXKUOAFYPP-GPMSIDNRSA-N 1 1 422.323 2.817 20 0 HFADMO CCNC(=O)C[C@H]1CCCC[N@@H+]1CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O ZINC000789520046 1077614597 /nfs/dbraw/zinc/61/45/97/1077614597.db2.gz OKFFBGVSSCEPOS-PSCUFVCCSA-N 1 1 406.571 2.852 20 0 HFADMO CCNC(=O)C[C@H]1CCCC[N@H+]1CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O ZINC000789520046 1077614601 /nfs/dbraw/zinc/61/46/01/1077614601.db2.gz OKFFBGVSSCEPOS-PSCUFVCCSA-N 1 1 406.571 2.852 20 0 HFADMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000791975536 1077617246 /nfs/dbraw/zinc/61/72/46/1077617246.db2.gz ZIBOXOJKYYPODZ-REHHDOPLSA-N 1 1 409.530 2.695 20 0 HFADMO Cc1cc2ncn(C[C@H](O)C[N@H+](C)[C@H]3CCN(Cc4ccccc4)C3=O)c2cc1C ZINC000789523403 1077619790 /nfs/dbraw/zinc/61/97/90/1077619790.db2.gz YTWCGOWUOKKKFM-IRLDBZIGSA-N 1 1 406.530 2.747 20 0 HFADMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)Cn1cc(Br)ccc1=O ZINC000791981245 1077621592 /nfs/dbraw/zinc/62/15/92/1077621592.db2.gz FMENAMZPVWAPJZ-WMZOPIPTSA-N 1 1 416.319 2.754 20 0 HFADMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CN1c2ccccc2O[C@H](C)C1=O ZINC000791982127 1077621990 /nfs/dbraw/zinc/62/19/90/1077621990.db2.gz PSOJIINKLOYYJJ-KPFFTGBYSA-N 1 1 405.498 2.943 20 0 HFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000791988370 1077624633 /nfs/dbraw/zinc/62/46/33/1077624633.db2.gz HGWRLZRIVDPDLS-MJGOQNOKSA-N 1 1 405.539 2.649 20 0 HFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000791988370 1077624637 /nfs/dbraw/zinc/62/46/37/1077624637.db2.gz HGWRLZRIVDPDLS-MJGOQNOKSA-N 1 1 405.539 2.649 20 0 HFADMO C[C@@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(C[N@@H+]2CC[C@]3(C2)CCCOC3)C1=O ZINC000789547371 1077639554 /nfs/dbraw/zinc/63/95/54/1077639554.db2.gz VRBKHELIBBHEDI-OALUTQOASA-N 1 1 411.424 2.932 20 0 HFADMO C[C@@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(C[N@H+]2CC[C@]3(C2)CCCOC3)C1=O ZINC000789547371 1077639557 /nfs/dbraw/zinc/63/95/57/1077639557.db2.gz VRBKHELIBBHEDI-OALUTQOASA-N 1 1 411.424 2.932 20 0 HFADMO C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1 ZINC000789565754 1077645676 /nfs/dbraw/zinc/64/56/76/1077645676.db2.gz ULBWYTTYUADFJJ-ZDUSSCGKSA-N 1 1 404.417 2.691 20 0 HFADMO CN1CC[NH+](Cc2ccc(CNC(=O)c3nc(Br)ccc3F)cc2)CC1 ZINC000792057594 1077662898 /nfs/dbraw/zinc/66/28/98/1077662898.db2.gz GBOKLQWIMIPKLI-UHFFFAOYSA-N 1 1 421.314 2.661 20 0 HFADMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000746828201 1077666576 /nfs/dbraw/zinc/66/65/76/1077666576.db2.gz LJCUZVMEIJUYRX-QGZVFWFLSA-N 1 1 404.555 2.876 20 0 HFADMO COC(=O)Nc1ccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000792066348 1077674322 /nfs/dbraw/zinc/67/43/22/1077674322.db2.gz FKDBQGMZVYGNAN-UHFFFAOYSA-N 1 1 406.483 2.746 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3cccnc3-n3cc[nH+]c3C)C2)c1 ZINC000792066897 1077675600 /nfs/dbraw/zinc/67/56/00/1077675600.db2.gz JTGWOVCQTTUOLF-LJQANCHMSA-N 1 1 407.430 2.725 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000792074544 1077681572 /nfs/dbraw/zinc/68/15/72/1077681572.db2.gz JDDTZNWXFLLLKV-QDEZUTFSSA-N 1 1 412.303 2.607 20 0 HFADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000792074543 1077681609 /nfs/dbraw/zinc/68/16/09/1077681609.db2.gz JDDTZNWXFLLLKV-AYMQEEERSA-N 1 1 412.303 2.607 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2ccc3oc(=O)ccc3c2)CC1 ZINC000792076597 1077682784 /nfs/dbraw/zinc/68/27/84/1077682784.db2.gz UXFXQNXBOLRHOW-UHFFFAOYSA-N 1 1 401.463 2.674 20 0 HFADMO C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC000792077584 1077683574 /nfs/dbraw/zinc/68/35/74/1077683574.db2.gz WNGPDBWNZDOLFB-HKUYNNGSSA-N 1 1 404.555 2.763 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCCCc2nc3ccccc3[nH]2)CC1 ZINC000792035728 1077686617 /nfs/dbraw/zinc/68/66/17/1077686617.db2.gz MICYUMWBUFJXIT-UHFFFAOYSA-N 1 1 415.538 2.555 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000792035297 1077687121 /nfs/dbraw/zinc/68/71/21/1077687121.db2.gz HLJUMDTTYIWGNK-UHFFFAOYSA-N 1 1 416.522 2.916 20 0 HFADMO COc1ccc(Br)c(CC(=O)OCCC[NH+]2CCN(C(C)C)CC2)c1 ZINC000792040052 1077690163 /nfs/dbraw/zinc/69/01/63/1077690163.db2.gz OXFNKIHYHJSGPH-UHFFFAOYSA-N 1 1 413.356 2.960 20 0 HFADMO Cc1nc(-c2ccc(NC(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)cc2)n[nH]1 ZINC000792115768 1077702508 /nfs/dbraw/zinc/70/25/08/1077702508.db2.gz ZSOQAQMIXJNJRP-UHFFFAOYSA-N 1 1 414.510 2.661 20 0 HFADMO Cc1cccc2c1OCC[C@H]2NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792117777 1077703499 /nfs/dbraw/zinc/70/34/99/1077703499.db2.gz FACVOCKGSKMMBG-GOSISDBHSA-N 1 1 403.523 2.878 20 0 HFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2nc(Br)ccc2F)CC1 ZINC000792117757 1077703587 /nfs/dbraw/zinc/70/35/87/1077703587.db2.gz DNETVLHCNRPEOI-OKILXGFUSA-N 1 1 413.335 2.614 20 0 HFADMO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000746834671 1077704940 /nfs/dbraw/zinc/70/49/40/1077704940.db2.gz UMSQVXNNIJAEEC-KRWDZBQOSA-N 1 1 405.539 2.638 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N[C@H]2CCOc3c(F)cccc32)CC1 ZINC000792082515 1077707154 /nfs/dbraw/zinc/70/71/54/1077707154.db2.gz RLOVEXNVYWHUQB-KRWDZBQOSA-N 1 1 407.486 2.708 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)CC1 ZINC000792127829 1077715619 /nfs/dbraw/zinc/71/56/19/1077715619.db2.gz AQMXALRTSVNJCE-LJQANCHMSA-N 1 1 421.513 2.668 20 0 HFADMO C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792130167 1077717146 /nfs/dbraw/zinc/71/71/46/1077717146.db2.gz STVMGMSLBISHEY-UYAOXDASSA-N 1 1 417.550 2.918 20 0 HFADMO Cc1nc2c(s1)[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000789651321 1077719217 /nfs/dbraw/zinc/71/92/17/1077719217.db2.gz FWKCBOPCPUQJRC-IEBWSBKVSA-N 1 1 412.559 2.726 20 0 HFADMO CC(C)c1[nH+]ccn1CCNC(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000792162613 1077727671 /nfs/dbraw/zinc/72/76/71/1077727671.db2.gz CSZWDAGPDNFBNS-UHFFFAOYSA-N 1 1 418.441 2.827 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)CC1 ZINC000792125546 1077730197 /nfs/dbraw/zinc/73/01/97/1077730197.db2.gz UYZGNOIUNTXHMY-FPOVZHCZSA-N 1 1 417.550 2.966 20 0 HFADMO C[C@@]1(CNC(=O)C(=O)NCc2ccc3ncccc3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000789694344 1077731480 /nfs/dbraw/zinc/73/14/80/1077731480.db2.gz SFLRFTWOLJTTMB-VWLOTQADSA-N 1 1 416.525 2.879 20 0 HFADMO C[C@@H](CNC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000792165926 1077731979 /nfs/dbraw/zinc/73/19/79/1077731979.db2.gz MKOPKVXWONIKLA-IBGZPJMESA-N 1 1 418.582 2.566 20 0 HFADMO CCc1c(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)cnn1C(CC)CC ZINC000792209996 1077740759 /nfs/dbraw/zinc/74/07/59/1077740759.db2.gz HZEYJQCPPOARHV-UHFFFAOYSA-N 1 1 423.521 2.951 20 0 HFADMO C[C@H](CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)Oc1ccc(F)cc1 ZINC000792199935 1077742425 /nfs/dbraw/zinc/74/24/25/1077742425.db2.gz NSHLPXIUXPALSF-MRXNPFEDSA-N 1 1 409.502 2.652 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CC[C@H]([N@@H+](C)Cc4ccccc4)C3)C2)c1 ZINC000792199627 1077742872 /nfs/dbraw/zinc/74/28/72/1077742872.db2.gz SEPABAYTABEQDN-FDDCHVKYSA-N 1 1 423.513 2.930 20 0 HFADMO C[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C[C@H](c2ccsc2)O1 ZINC000792223667 1077749836 /nfs/dbraw/zinc/74/98/36/1077749836.db2.gz DZYINTHMQQQTNY-FUHWJXTLSA-N 1 1 423.579 2.979 20 0 HFADMO C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H](c2ccsc2)O1 ZINC000792223661 1077749899 /nfs/dbraw/zinc/74/98/99/1077749899.db2.gz DZYINTHMQQQTNY-AEFFLSMTSA-N 1 1 423.579 2.979 20 0 HFADMO CCOc1cc(C)ccc1CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792225142 1077751255 /nfs/dbraw/zinc/75/12/55/1077751255.db2.gz ZLJCTKRUJRRCEZ-UHFFFAOYSA-N 1 1 405.539 2.953 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCc3c(F)cc(F)cc3C2)CC1 ZINC000792236881 1077757853 /nfs/dbraw/zinc/75/78/53/1077757853.db2.gz ULXKPNLVSGHSKA-UHFFFAOYSA-N 1 1 409.477 2.792 20 0 HFADMO Cc1cccc([C@@H]2CCCN2C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000792237528 1077758976 /nfs/dbraw/zinc/75/89/76/1077758976.db2.gz LQJFOMKFOPYTKQ-IBGZPJMESA-N 1 1 402.539 2.996 20 0 HFADMO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc3sccc3C1)CCC2 ZINC000789724854 1077760621 /nfs/dbraw/zinc/76/06/21/1077760621.db2.gz RZNKOMINWXQDLM-LRDDRELGSA-N 1 1 418.588 2.570 20 0 HFADMO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NC[C@H](C)[N@H+]1CCc3sccc3C1)CCC2 ZINC000789724854 1077760625 /nfs/dbraw/zinc/76/06/25/1077760625.db2.gz RZNKOMINWXQDLM-LRDDRELGSA-N 1 1 418.588 2.570 20 0 HFADMO COc1cccc(/C=C(\C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)n2nnnc2C)c1 ZINC000746849268 1077761331 /nfs/dbraw/zinc/76/13/31/1077761331.db2.gz UWIIMYPAMRHNES-CTSXZFCGSA-N 1 1 424.549 2.852 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCCc2cc3ccccc3[nH]2)CC1 ZINC000792242270 1077761833 /nfs/dbraw/zinc/76/18/33/1077761833.db2.gz OEZNGYIUFWVXJO-UHFFFAOYSA-N 1 1 400.523 2.769 20 0 HFADMO CN(C)c1ccc(NC(=O)CC[N@H+]2CC[C@H](N3CC(=O)Nc4ccccc43)C2)cc1 ZINC000792285633 1077775566 /nfs/dbraw/zinc/77/55/66/1077775566.db2.gz CXQLBWBPNDULGW-IBGZPJMESA-N 1 1 407.518 2.614 20 0 HFADMO CC[C@H](C)[C@@H]1CN(C[C@@H]2CC3(CCC3)C(=O)O2)CC[N@H+]1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792260156 1077784604 /nfs/dbraw/zinc/78/46/04/1077784604.db2.gz NDDURUQEAGEJCY-MUGJNUQGSA-N 1 1 418.578 2.990 20 0 HFADMO CC[C@H](C)[C@@H]1C[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)CCN1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792260156 1077784606 /nfs/dbraw/zinc/78/46/06/1077784606.db2.gz NDDURUQEAGEJCY-MUGJNUQGSA-N 1 1 418.578 2.990 20 0 HFADMO CC[C@H](C)[C@@H]1C[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)CCN1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792260156 1077784610 /nfs/dbraw/zinc/78/46/10/1077784610.db2.gz NDDURUQEAGEJCY-MUGJNUQGSA-N 1 1 418.578 2.990 20 0 HFADMO COCC[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C)o1 ZINC000792303788 1077796743 /nfs/dbraw/zinc/79/67/43/1077796743.db2.gz OTJNCHPRPQQKCI-QGZVFWFLSA-N 1 1 409.527 2.725 20 0 HFADMO O=C(CCc1nc[nH]n1)OC1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000789794307 1077800214 /nfs/dbraw/zinc/80/02/14/1077800214.db2.gz MAFBXLXMRJKIBX-UHFFFAOYSA-N 1 1 423.311 2.586 20 0 HFADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789840226 1077816647 /nfs/dbraw/zinc/81/66/47/1077816647.db2.gz LXKPGCLUYBXBDR-KRWDZBQOSA-N 1 1 423.989 2.561 20 0 HFADMO CCn1cc([C@@H](O)C[N@H+](CC(=O)NC(=O)Nc2ccccc2)Cc2ccccc2)cn1 ZINC000792365739 1077817089 /nfs/dbraw/zinc/81/70/89/1077817089.db2.gz PPNKLEIARJGQCK-NRFANRHFSA-N 1 1 421.501 2.787 20 0 HFADMO CCn1cc([C@@H](O)C[N@@H+](CC(=O)NC(=O)Nc2ccccc2)Cc2ccccc2)cn1 ZINC000792365739 1077817096 /nfs/dbraw/zinc/81/70/96/1077817096.db2.gz PPNKLEIARJGQCK-NRFANRHFSA-N 1 1 421.501 2.787 20 0 HFADMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000792388801 1077830957 /nfs/dbraw/zinc/83/09/57/1077830957.db2.gz NCJCQRIPOYTMCO-QGZVFWFLSA-N 1 1 418.465 2.715 20 0 HFADMO CCn1cc([C@H](O)C[N@@H+](CCc2nnnn2-c2ccccc2)Cc2ccccc2)cn1 ZINC000792376234 1077843431 /nfs/dbraw/zinc/84/34/31/1077843431.db2.gz LABXCARMYVDBDJ-JOCHJYFZSA-N 1 1 417.517 2.657 20 0 HFADMO Nn1c(SC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)nnc1[C@@H]1CCCCO1 ZINC000789921550 1077848413 /nfs/dbraw/zinc/84/84/13/1077848413.db2.gz LNKRAWOAISVJDU-MSOLQXFVSA-N 1 1 403.552 2.617 20 0 HFADMO Nn1c(SC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)nnc1[C@H]1CCCCO1 ZINC000789921553 1077848431 /nfs/dbraw/zinc/84/84/31/1077848431.db2.gz LNKRAWOAISVJDU-ZWKOTPCHSA-N 1 1 403.552 2.617 20 0 HFADMO CC[C@H](C)n1ncc(NC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)c1C ZINC000792417554 1077849118 /nfs/dbraw/zinc/84/91/18/1077849118.db2.gz CROWXSIARKQDRR-INIZCTEOSA-N 1 1 412.538 2.882 20 0 HFADMO Cc1cccc(F)c1CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000789896310 1077853666 /nfs/dbraw/zinc/85/36/66/1077853666.db2.gz YNBNSXXELAYAES-UHFFFAOYSA-N 1 1 419.447 2.809 20 0 HFADMO O=C(Cc1csc(-c2nc[nH]n2)n1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000746863337 1077854189 /nfs/dbraw/zinc/85/41/89/1077854189.db2.gz AVCWHPPYVIMLRG-JOCHJYFZSA-N 1 1 422.558 2.985 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(N3C[C@@H](C)O[C@H](C)C3)ccn2)cn1 ZINC000789958497 1077869056 /nfs/dbraw/zinc/86/90/56/1077869056.db2.gz WFLOMFUQNUOVJW-HZPDHXFCSA-N 1 1 406.490 2.514 20 0 HFADMO C[N@@H+](CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)C1CCCC1 ZINC000789976904 1077879731 /nfs/dbraw/zinc/87/97/31/1077879731.db2.gz SGGIZXCHILJDQO-WOJBJXKFSA-N 1 1 410.518 2.569 20 0 HFADMO CCOC(=O)c1nc2ccc(N(C(N)=[NH2+])c3ccc(N4CCOCC4)cc3)cc2[nH]1 ZINC001170167554 1077884738 /nfs/dbraw/zinc/88/47/38/1077884738.db2.gz NFFWECVGVOBNNJ-UHFFFAOYSA-N 1 1 408.462 2.608 20 0 HFADMO CC(C)C[N@H+]1CCC[C@H](CNC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000772800996 1077907921 /nfs/dbraw/zinc/90/79/21/1077907921.db2.gz UVYSXIZCZMKDQJ-MRXNPFEDSA-N 1 1 412.625 2.591 20 0 HFADMO CCNC(=O)OC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC001170217413 1077909813 /nfs/dbraw/zinc/90/98/13/1077909813.db2.gz QEDMPJNJZJVMBO-INIZCTEOSA-N 1 1 423.510 2.642 20 0 HFADMO CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC001170218016 1077910050 /nfs/dbraw/zinc/91/00/50/1077910050.db2.gz SIFONADMUYAXGT-JTHBVZDNSA-N 1 1 415.578 2.936 20 0 HFADMO CCOc1ccc([C@H]2CCCN2C(=O)CN2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC001170218016 1077910052 /nfs/dbraw/zinc/91/00/52/1077910052.db2.gz SIFONADMUYAXGT-JTHBVZDNSA-N 1 1 415.578 2.936 20 0 HFADMO CC[C@@H]1C[C@@H]([N@H+]2CC[C@H]3C(=O)N(Cc4ccc(OC)cc4)CCO[C@H]3C2)CCO1 ZINC001170224205 1077916827 /nfs/dbraw/zinc/91/68/27/1077916827.db2.gz UITSCTRZWRPBLP-PSBKLILYSA-N 1 1 402.535 2.702 20 0 HFADMO CCN1CCC([NH+]2CCC(C(=O)NCC(=O)c3ccc(Cl)cc3F)CC2)CC1 ZINC001170292565 1077929233 /nfs/dbraw/zinc/92/92/33/1077929233.db2.gz UJHSLMQWNNFQBH-UHFFFAOYSA-N 1 1 409.933 2.974 20 0 HFADMO O=C(CNC(=O)[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1Cl ZINC001170279250 1077935438 /nfs/dbraw/zinc/93/54/38/1077935438.db2.gz WCCDMIUOTNYFRU-NRFANRHFSA-N 1 1 404.869 2.805 20 0 HFADMO NC(=O)CC[N@@H+](C[C@@H](O)COc1cccc2[nH]ccc21)[C@H]1CCOc2ccccc21 ZINC001170290297 1077938799 /nfs/dbraw/zinc/93/87/99/1077938799.db2.gz JPYCOUWGVICQJS-UZLBHIALSA-N 1 1 409.486 2.609 20 0 HFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000792624574 1077945478 /nfs/dbraw/zinc/94/54/78/1077945478.db2.gz FCRIERBBMMRXLG-XLIONFOSSA-N 1 1 419.566 2.946 20 0 HFADMO COC(=O)[C@@H]1Cc2cc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cnc2NC1=O ZINC001170333659 1077945904 /nfs/dbraw/zinc/94/59/04/1077945904.db2.gz QVBZKNWZMVMEEY-AYWYSENESA-N 1 1 420.513 2.973 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)CC1 ZINC000792650599 1077958554 /nfs/dbraw/zinc/95/85/54/1077958554.db2.gz PTJKVNRIZQTOPD-IBGZPJMESA-N 1 1 421.538 2.730 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)C[C@H](C)O1 ZINC000790124672 1077958869 /nfs/dbraw/zinc/95/88/69/1077958869.db2.gz AVJGKCICWRZKBA-DTKRNKINSA-N 1 1 411.502 2.618 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)C[C@H](C)O1 ZINC000790124672 1077958871 /nfs/dbraw/zinc/95/88/71/1077958871.db2.gz AVJGKCICWRZKBA-DTKRNKINSA-N 1 1 411.502 2.618 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccccc2)C[C@H](C)O1 ZINC000790125046 1077959298 /nfs/dbraw/zinc/95/92/98/1077959298.db2.gz DOCSMNTWYGFRES-IXFSTUDKSA-N 1 1 419.566 2.994 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccccc2)C[C@H](C)O1 ZINC000790125046 1077959302 /nfs/dbraw/zinc/95/93/02/1077959302.db2.gz DOCSMNTWYGFRES-IXFSTUDKSA-N 1 1 419.566 2.994 20 0 HFADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000790125365 1077959355 /nfs/dbraw/zinc/95/93/55/1077959355.db2.gz RQSOCWJOABDTLY-SFHVURJKSA-N 1 1 405.539 2.822 20 0 HFADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000790125365 1077959357 /nfs/dbraw/zinc/95/93/57/1077959357.db2.gz RQSOCWJOABDTLY-SFHVURJKSA-N 1 1 405.539 2.822 20 0 HFADMO Cc1sc(=O)n(CC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1-c1ccc(F)cc1 ZINC000790126853 1077959546 /nfs/dbraw/zinc/95/95/46/1077959546.db2.gz KGVMNQUXEJYGEQ-GASCZTMLSA-N 1 1 421.538 2.592 20 0 HFADMO Cc1sc(=O)n(CC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1-c1ccc(F)cc1 ZINC000790126853 1077959548 /nfs/dbraw/zinc/95/95/48/1077959548.db2.gz KGVMNQUXEJYGEQ-GASCZTMLSA-N 1 1 421.538 2.592 20 0 HFADMO CNc1cc(C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)cc(Cl)n1 ZINC000790162061 1077963267 /nfs/dbraw/zinc/96/32/67/1077963267.db2.gz QYTROBWRSZNFIK-UHFFFAOYSA-N 1 1 401.858 2.689 20 0 HFADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)c3ccc(-n4cccc4)nc3)n2)c1C ZINC000790163051 1077963631 /nfs/dbraw/zinc/96/36/31/1077963631.db2.gz VHYOQFYRSGNUKN-UHFFFAOYSA-N 1 1 403.446 2.785 20 0 HFADMO COc1cc(C)c([C@@H](C)NC(=O)C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1OC ZINC001170410923 1077966318 /nfs/dbraw/zinc/96/63/18/1077966318.db2.gz IOEOJKXGMOYQAG-IAGOWNOFSA-N 1 1 419.566 2.803 20 0 HFADMO COc1ccc(Cl)cc1NC(=S)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000792676436 1077970846 /nfs/dbraw/zinc/97/08/46/1077970846.db2.gz IITYPZSXRQJEBB-UHFFFAOYSA-N 1 1 410.971 2.676 20 0 HFADMO COc1ccc(Cl)cc1NC(=S)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000792676436 1077970848 /nfs/dbraw/zinc/97/08/48/1077970848.db2.gz IITYPZSXRQJEBB-UHFFFAOYSA-N 1 1 410.971 2.676 20 0 HFADMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH]c3=S)cc2)C[C@H](C)O1 ZINC000746888525 1077981211 /nfs/dbraw/zinc/98/12/11/1077981211.db2.gz ZNQVKUQZMWTZLM-FCEWJHQRSA-N 1 1 400.548 2.875 20 0 HFADMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH]c3=S)cc2)C[C@H](C)O1 ZINC000746888525 1077981213 /nfs/dbraw/zinc/98/12/13/1077981213.db2.gz ZNQVKUQZMWTZLM-FCEWJHQRSA-N 1 1 400.548 2.875 20 0 HFADMO CC(C)(C)OC(=O)N1CCC([N@@H+](C2CC2)[C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000790313718 1077994592 /nfs/dbraw/zinc/99/45/92/1077994592.db2.gz BBJPLJVMWJNULJ-IBGZPJMESA-N 1 1 407.555 2.630 20 0 HFADMO CCOC1(C(=O)OCC(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)CCCC1 ZINC000792816287 1078002964 /nfs/dbraw/zinc/00/29/64/1078002964.db2.gz HDRQUERLUHETOQ-UHFFFAOYSA-N 1 1 418.534 2.622 20 0 HFADMO CC(C)(C)C[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000747087417 1078005934 /nfs/dbraw/zinc/00/59/34/1078005934.db2.gz SPQVVXSWBKEMAA-QGZVFWFLSA-N 1 1 420.579 2.996 20 0 HFADMO COCC1(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000792823781 1078006163 /nfs/dbraw/zinc/00/61/63/1078006163.db2.gz HIALQPREGTVCNE-MRXNPFEDSA-N 1 1 409.527 2.662 20 0 HFADMO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=S)NC[C@@H]2CCC[N@H+]2CC)cn1 ZINC000790341774 1078007450 /nfs/dbraw/zinc/00/74/50/1078007450.db2.gz XENQIIDDZXJYED-LEWJYISDSA-N 1 1 415.607 2.797 20 0 HFADMO Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)c3cccnc3OC(C)C)CC2)c1 ZINC000792835351 1078008398 /nfs/dbraw/zinc/00/83/98/1078008398.db2.gz WXZHYCNJODBGPT-UHFFFAOYSA-N 1 1 411.502 2.678 20 0 HFADMO COc1ncc(C(=O)OCC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1Cl ZINC000792855863 1078009493 /nfs/dbraw/zinc/00/94/93/1078009493.db2.gz ACLTYIWHUKECKS-OAHLLOKOSA-N 1 1 417.893 2.806 20 0 HFADMO O=C(NC[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1)OCc1ccccc1 ZINC000792861119 1078010392 /nfs/dbraw/zinc/01/03/92/1078010392.db2.gz XVTJWZYRJTUIIU-PMACEKPBSA-N 1 1 414.550 2.819 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000792867209 1078011624 /nfs/dbraw/zinc/01/16/24/1078011624.db2.gz MLHXFWNFNBYHCP-FGTMMUONSA-N 1 1 400.585 2.923 20 0 HFADMO O=C(NC[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1)OCc1ccccc1 ZINC000792871999 1078012207 /nfs/dbraw/zinc/01/22/07/1078012207.db2.gz MEQHWJXWVHRWAR-PWRODBHTSA-N 1 1 414.550 2.961 20 0 HFADMO O=C1CN([C@H]2CCN(C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)c2ccccc2N1 ZINC000792878013 1078016113 /nfs/dbraw/zinc/01/61/13/1078016113.db2.gz QYBJRPGDQBGJNX-VXKWHMMOSA-N 1 1 420.557 2.811 20 0 HFADMO O=C1CN([C@H]2CC[N@H+](C[C@@H]3CN(Cc4ccccc4)CCCO3)C2)c2ccccc2N1 ZINC000792878013 1078016118 /nfs/dbraw/zinc/01/61/18/1078016118.db2.gz QYBJRPGDQBGJNX-VXKWHMMOSA-N 1 1 420.557 2.811 20 0 HFADMO O=C1CN([C@H]2CC[N@@H+](C[C@@H]3CN(Cc4ccccc4)CCCO3)C2)c2ccccc2N1 ZINC000792878013 1078016122 /nfs/dbraw/zinc/01/61/22/1078016122.db2.gz QYBJRPGDQBGJNX-VXKWHMMOSA-N 1 1 420.557 2.811 20 0 HFADMO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cn1 ZINC000790372787 1078017178 /nfs/dbraw/zinc/01/71/78/1078017178.db2.gz BXWIMVIDBSZZIF-VXKWHMMOSA-N 1 1 411.550 2.633 20 0 HFADMO COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c(OC)c1 ZINC000792914809 1078025061 /nfs/dbraw/zinc/02/50/61/1078025061.db2.gz XSBCMIHQENPTQL-RPVQJOFSSA-N 1 1 418.317 2.737 20 0 HFADMO CN(C(=O)C[N@H+]1CCCCC[C@@H]1CCO)c1ccccc1C(=O)NCc1ccco1 ZINC000792928490 1078027363 /nfs/dbraw/zinc/02/73/63/1078027363.db2.gz UOZBCPMSBMGHGZ-GOSISDBHSA-N 1 1 413.518 2.799 20 0 HFADMO COc1cccc([C@H](C)[NH+]2CCN(C[C@H](O)CCNC(=O)OC(C)(C)C)CC2)c1 ZINC000792971988 1078029967 /nfs/dbraw/zinc/02/99/67/1078029967.db2.gz DZCCDPHSKMVSKH-PKOBYXMFSA-N 1 1 407.555 2.650 20 0 HFADMO Cc1ccc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)nc1Br ZINC000792954182 1078034480 /nfs/dbraw/zinc/03/44/80/1078034480.db2.gz ZVNFWNSGUXVWAP-ZDUSSCGKSA-N 1 1 411.344 2.719 20 0 HFADMO CN1CCN(c2ccc(C[NH2+]C3CCN(C(=O)OCc4ccccc4)CC3)cn2)CC1 ZINC000790463499 1078035850 /nfs/dbraw/zinc/03/58/50/1078035850.db2.gz KPCGBQNSNHRFOV-UHFFFAOYSA-N 1 1 423.561 2.724 20 0 HFADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NCc2ccnn2-c2ccccc2)cc1 ZINC000790471026 1078038799 /nfs/dbraw/zinc/03/87/99/1078038799.db2.gz FKNHZXAOVRRGLV-UHFFFAOYSA-N 1 1 418.545 2.695 20 0 HFADMO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@H+](CCOC)[C@H]2CC[C@H](C)C2)C1=O ZINC000790480833 1078040862 /nfs/dbraw/zinc/04/08/62/1078040862.db2.gz WAVWACPUMGNWLJ-SGXKBVARSA-N 1 1 403.523 2.947 20 0 HFADMO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@@H+](CCOC)[C@H]2CC[C@H](C)C2)C1=O ZINC000790480833 1078040867 /nfs/dbraw/zinc/04/08/67/1078040867.db2.gz WAVWACPUMGNWLJ-SGXKBVARSA-N 1 1 403.523 2.947 20 0 HFADMO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000792988553 1078041686 /nfs/dbraw/zinc/04/16/86/1078041686.db2.gz FCIDNFLJCSEHFM-MISYRCLQSA-N 1 1 414.550 2.960 20 0 HFADMO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000806309389 1079564034 /nfs/dbraw/zinc/56/40/34/1079564034.db2.gz DVPGKUXDEIXEQH-VQTJNVASSA-N 1 1 402.539 2.960 20 0 HFADMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000806354551 1079589847 /nfs/dbraw/zinc/58/98/47/1079589847.db2.gz DANJPQBZRFDOFA-YVSFHVDLSA-N 1 1 412.575 2.571 20 0 HFADMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000806354551 1079589851 /nfs/dbraw/zinc/58/98/51/1079589851.db2.gz DANJPQBZRFDOFA-YVSFHVDLSA-N 1 1 412.575 2.571 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000747325890 1079594565 /nfs/dbraw/zinc/59/45/65/1079594565.db2.gz QXULJQJGFYFOTG-WOJBJXKFSA-N 1 1 403.486 2.527 20 0 HFADMO Cc1ccccc1[C@@H](O)C1CCN(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000806323535 1079595857 /nfs/dbraw/zinc/59/58/57/1079595857.db2.gz UBIKODRHTHBCJQ-IRLDBZIGSA-N 1 1 403.567 2.807 20 0 HFADMO Cc1cc(NC(=O)[C@@H](C)SCC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)no1 ZINC001130610893 1079630494 /nfs/dbraw/zinc/63/04/94/1079630494.db2.gz WSUCSERJOFBDLF-IERDGZPVSA-N 1 1 416.547 2.824 20 0 HFADMO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000806355627 1079643822 /nfs/dbraw/zinc/64/38/22/1079643822.db2.gz YDYONGCUBUPKCK-FGTMMUONSA-N 1 1 412.575 2.573 20 0 HFADMO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000806355627 1079643824 /nfs/dbraw/zinc/64/38/24/1079643824.db2.gz YDYONGCUBUPKCK-FGTMMUONSA-N 1 1 412.575 2.573 20 0 HFADMO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000806355628 1079643875 /nfs/dbraw/zinc/64/38/75/1079643875.db2.gz YDYONGCUBUPKCK-KSZLIROESA-N 1 1 412.575 2.573 20 0 HFADMO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000806355628 1079643878 /nfs/dbraw/zinc/64/38/78/1079643878.db2.gz YDYONGCUBUPKCK-KSZLIROESA-N 1 1 412.575 2.573 20 0 HFADMO C[N@@H+]1CCN(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C[C@H]1Cc1ccccc1 ZINC000806363358 1079651251 /nfs/dbraw/zinc/65/12/51/1079651251.db2.gz XAECOMXGPWNEHN-HSZRJFAPSA-N 1 1 420.557 2.991 20 0 HFADMO C[N@H+]1CCN(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C[C@H]1Cc1ccccc1 ZINC000806363358 1079651254 /nfs/dbraw/zinc/65/12/54/1079651254.db2.gz XAECOMXGPWNEHN-HSZRJFAPSA-N 1 1 420.557 2.991 20 0 HFADMO CCNC(=O)OC[C@H]1CCCCN1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000806434397 1079680198 /nfs/dbraw/zinc/68/01/98/1079680198.db2.gz KFNJTQCQADBNBU-WOJBJXKFSA-N 1 1 402.539 2.961 20 0 HFADMO CCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000806436043 1079682680 /nfs/dbraw/zinc/68/26/80/1079682680.db2.gz BCTSBWGYZRRYNE-NVXWUHKLSA-N 1 1 408.568 2.805 20 0 HFADMO CCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000806436043 1079682683 /nfs/dbraw/zinc/68/26/83/1079682683.db2.gz BCTSBWGYZRRYNE-NVXWUHKLSA-N 1 1 408.568 2.805 20 0 HFADMO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000806394369 1079683312 /nfs/dbraw/zinc/68/33/12/1079683312.db2.gz LMCRHHIWWVHFHL-HXUWFJFHSA-N 1 1 402.539 2.697 20 0 HFADMO C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCc2ccon2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000806398911 1079685841 /nfs/dbraw/zinc/68/58/41/1079685841.db2.gz XWOATVOGELGTRT-RHSMWYFYSA-N 1 1 424.423 2.509 20 0 HFADMO C[N@@H+](CCCNC(=O)N1CCCC[C@H]1COC(=O)N[C@H]1CCOC1)C1CCCCC1 ZINC000806399494 1079687973 /nfs/dbraw/zinc/68/79/73/1079687973.db2.gz PWDALNQMARBAGL-ICSRJNTNSA-N 1 1 424.586 2.720 20 0 HFADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000806407041 1079694458 /nfs/dbraw/zinc/69/44/58/1079694458.db2.gz YMRIAMVHAUHZOW-AQNXPRMDSA-N 1 1 424.586 2.720 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)N2CCCC[C@H]2c2cc[nH]n2)CC1 ZINC000806444902 1079716164 /nfs/dbraw/zinc/71/61/64/1079716164.db2.gz HSNXHKVFUHZDNP-SFHVURJKSA-N 1 1 420.558 2.589 20 0 HFADMO Cn1[nH]cc2c(=NC(=O)N[C@@H]3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)ccnc1-2 ZINC000806490713 1079741935 /nfs/dbraw/zinc/74/19/35/1079741935.db2.gz KSSDBHSAYBTGNO-OAHLLOKOSA-N 1 1 418.423 2.757 20 0 HFADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)NCCc2ccc(Cl)nc2)CC1 ZINC000806593604 1079837354 /nfs/dbraw/zinc/83/73/54/1079837354.db2.gz KJHBIHOJWQNQHL-QGZVFWFLSA-N 1 1 420.985 2.897 20 0 HFADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCc2ccc(Cl)nc2)C1 ZINC000806594856 1079838166 /nfs/dbraw/zinc/83/81/66/1079838166.db2.gz STCHNYZGOOJIHT-SJLPKXTDSA-N 1 1 406.958 2.507 20 0 HFADMO COC1(CNC(=S)NCCC[NH+]2CCOCC2)CCC(c2ccccc2)CC1 ZINC000806586687 1079862632 /nfs/dbraw/zinc/86/26/32/1079862632.db2.gz AVCDTYGRHUCWHM-UHFFFAOYSA-N 1 1 405.608 2.916 20 0 HFADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000806651644 1079868726 /nfs/dbraw/zinc/86/87/26/1079868726.db2.gz PETZZNKOTWWDEZ-PVAVHDDUSA-N 1 1 411.522 2.817 20 0 HFADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@@](C(=O)OC)(C(F)(F)F)C2)c1 ZINC000806634188 1079889958 /nfs/dbraw/zinc/88/99/58/1079889958.db2.gz GJGFHTHFVCXXOI-GOSISDBHSA-N 1 1 401.429 2.775 20 0 HFADMO C[N@H+]1CC[C@@](O)(CNC(=O)N[C@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)C1 ZINC000806679586 1079908991 /nfs/dbraw/zinc/90/89/91/1079908991.db2.gz DIAINYLXLAJBCX-GDBMZVCRSA-N 1 1 419.740 2.945 20 0 HFADMO Cc1cc(I)cc(NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000806684172 1079912336 /nfs/dbraw/zinc/91/23/36/1079912336.db2.gz RPVCOTYZZDVPQB-CABCVRRESA-N 1 1 415.275 2.584 20 0 HFADMO O=C(NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)[C@@H]1CCCC12OCCO2 ZINC000806739405 1079930715 /nfs/dbraw/zinc/93/07/15/1079930715.db2.gz CZIDHICCSMZPFJ-FQEVSTJZSA-N 1 1 411.502 2.965 20 0 HFADMO C[NH+]1CCN(c2ccc(NC(=O)c3cnc(C4OCCO4)s3)cc2Cl)CC1 ZINC000806721040 1079945101 /nfs/dbraw/zinc/94/51/01/1079945101.db2.gz DHALLAMLRAVQPI-UHFFFAOYSA-N 1 1 408.911 2.846 20 0 HFADMO O=C(c1cnn(CCC(F)(F)F)c1)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001130733011 1079970868 /nfs/dbraw/zinc/97/08/68/1079970868.db2.gz HNNCPKOYURSDHH-OALUTQOASA-N 1 1 422.451 2.951 20 0 HFADMO CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCCC[N@@H+](C)CC(C)C)C2=O ZINC001130730954 1080002848 /nfs/dbraw/zinc/00/28/48/1080002848.db2.gz VVUIVIHKKHUFGB-UHFFFAOYSA-N 1 1 422.614 2.998 20 0 HFADMO CN1CC[NH+](CCCOc2ccc(NC(=O)[C@@]34CCO[C@@H]3CCCC4)cc2)CC1 ZINC001130742170 1080005607 /nfs/dbraw/zinc/00/56/07/1080005607.db2.gz LPKREAAZTHHDML-GGAORHGYSA-N 1 1 401.551 2.991 20 0 HFADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc(Br)ncc2Cl)CC1 ZINC000806814817 1080028187 /nfs/dbraw/zinc/02/81/87/1080028187.db2.gz IDBRHBQFMOSAKM-ZDUSSCGKSA-N 1 1 415.763 2.740 20 0 HFADMO Cc1ccc(CC(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c(Cl)n1 ZINC000806821045 1080039259 /nfs/dbraw/zinc/03/92/59/1080039259.db2.gz OWUKVPPAYUUZTK-LJQANCHMSA-N 1 1 414.937 2.600 20 0 HFADMO COc1ccc([C@H](C[NH+](C)C)NC(=O)NCC[S@@](=O)Cc2ccccc2)cc1 ZINC000806828476 1080042711 /nfs/dbraw/zinc/04/27/11/1080042711.db2.gz MVJQQVYIWBZFOS-WTYVLRPYSA-N 1 1 403.548 2.546 20 0 HFADMO C[NH+]1CCN(CCCCNC(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)CC1 ZINC000806831772 1080044260 /nfs/dbraw/zinc/04/42/60/1080044260.db2.gz FILHFGLOVIHYQN-DEOSSOPVSA-N 1 1 424.589 2.959 20 0 HFADMO C[C@@H](CNC(=O)N1CCCC[C@@H]1COC(=O)NC1CCCCC1)C[NH+]1CCOCC1 ZINC000806841067 1080054337 /nfs/dbraw/zinc/05/43/37/1080054337.db2.gz WGKOFLXFZDDPBA-AZUAARDMSA-N 1 1 424.586 2.578 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)Nc1nc(-c2ccco2)cs1 ZINC000806860678 1080063071 /nfs/dbraw/zinc/06/30/71/1080063071.db2.gz VBCITJWIJRTXMH-UHFFFAOYSA-N 1 1 408.443 2.547 20 0 HFADMO CC(C)(O)c1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000806878900 1080077957 /nfs/dbraw/zinc/07/79/57/1080077957.db2.gz YSZRFSHTDPFEKK-MRXNPFEDSA-N 1 1 415.559 2.942 20 0 HFADMO CSCCCCCCNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000806886311 1080083841 /nfs/dbraw/zinc/08/38/41/1080083841.db2.gz LLUREPWSCZLORP-BGYRXZFFSA-N 1 1 403.592 2.616 20 0 HFADMO C[C@@H](NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000806888651 1080085307 /nfs/dbraw/zinc/08/53/07/1080085307.db2.gz KLFZOOGHEJKRTF-HZSPNIEDSA-N 1 1 407.902 2.548 20 0 HFADMO C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)[C@@H]1c1cccs1 ZINC000806923286 1080092037 /nfs/dbraw/zinc/09/20/37/1080092037.db2.gz GQTBPSXYHRMEST-UMVBOHGHSA-N 1 1 403.470 2.801 20 0 HFADMO CN(C(=O)C(=O)Nc1cccc(C(C)(C)O)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000806924324 1080092812 /nfs/dbraw/zinc/09/28/12/1080092812.db2.gz GNZGKIVBNYPVRE-OAQYLSRUSA-N 1 1 409.530 2.976 20 0 HFADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806913677 1080117890 /nfs/dbraw/zinc/11/78/90/1080117890.db2.gz CITDXIKXKFBPNV-SFHVURJKSA-N 1 1 409.530 2.976 20 0 HFADMO CSCC[C@H](C)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000807054189 1080238282 /nfs/dbraw/zinc/23/82/82/1080238282.db2.gz GCDRFDYZUFNWQG-IHPCNDPISA-N 1 1 403.592 2.757 20 0 HFADMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)C[C@H]1C ZINC000807088470 1080266783 /nfs/dbraw/zinc/26/67/83/1080266783.db2.gz BXIFPHPFZJEXQV-JRGCBEDISA-N 1 1 401.551 2.602 20 0 HFADMO CCNC(=O)OC[C@H]1CCCCN1C(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000807091002 1080269236 /nfs/dbraw/zinc/26/92/36/1080269236.db2.gz FHKPCZINZHXQQL-GOSISDBHSA-N 1 1 403.527 2.800 20 0 HFADMO C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000807150956 1080308363 /nfs/dbraw/zinc/30/83/63/1080308363.db2.gz VLHMNBLNNQAUNZ-NJAFHUGGSA-N 1 1 411.468 2.957 20 0 HFADMO CS[C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000807200028 1080348483 /nfs/dbraw/zinc/34/84/83/1080348483.db2.gz CEJRAVBDIBNSSR-KNKQGSTJSA-N 1 1 403.592 2.805 20 0 HFADMO COc1cccc([C@@H]2[C@H](NC(=O)c3ccc(C(N)=O)c(Cl)n3)CC[N@H+]2C2CC2)c1 ZINC000807205102 1080351785 /nfs/dbraw/zinc/35/17/85/1080351785.db2.gz AEYRYHVXQRWHSD-SJLPKXTDSA-N 1 1 414.893 2.550 20 0 HFADMO COc1cccc([C@H]2[C@@H](NC(=O)c3cnc(C4OCCO4)s3)CC[N@@H+]2C2CC2)c1 ZINC000807206599 1080356418 /nfs/dbraw/zinc/35/64/18/1080356418.db2.gz WUTIKRIGLMDRGE-WMZOPIPTSA-N 1 1 415.515 2.905 20 0 HFADMO COc1cccc([C@H]2[C@@H](NC(=O)c3cnc(C4OCCO4)s3)CC[N@H+]2C2CC2)c1 ZINC000807206599 1080356424 /nfs/dbraw/zinc/35/64/24/1080356424.db2.gz WUTIKRIGLMDRGE-WMZOPIPTSA-N 1 1 415.515 2.905 20 0 HFADMO CNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000807178135 1080368808 /nfs/dbraw/zinc/36/88/08/1080368808.db2.gz JZPWYRNGBIDUQC-MOPGFXCFSA-N 1 1 420.579 2.524 20 0 HFADMO CNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000807178135 1080368813 /nfs/dbraw/zinc/36/88/13/1080368813.db2.gz JZPWYRNGBIDUQC-MOPGFXCFSA-N 1 1 420.579 2.524 20 0 HFADMO C[C@H]1C[N@@H+](CCCNC(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)CCCO1 ZINC000807180692 1080373580 /nfs/dbraw/zinc/37/35/80/1080373580.db2.gz LGORAJAEAURDSD-ICSRJNTNSA-N 1 1 424.586 2.720 20 0 HFADMO Cc1ccccc1[C@@H](O)C1CCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000807182009 1080374463 /nfs/dbraw/zinc/37/44/63/1080374463.db2.gz WBVGVYCQUDRFGY-UGKGYDQZSA-N 1 1 403.567 2.951 20 0 HFADMO CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H](c3ccccn3)C2)CC1 ZINC001170519400 1080379651 /nfs/dbraw/zinc/37/96/51/1080379651.db2.gz PQTSOJRXPQZEAW-HXUWFJFHSA-N 1 1 400.567 2.662 20 0 HFADMO O=C(NCCO[C@H]1CC1(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001130894629 1080425904 /nfs/dbraw/zinc/42/59/04/1080425904.db2.gz RMXGQYWIDZLBRD-ZCNNSNEGSA-N 1 1 401.457 2.838 20 0 HFADMO C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)NC(C)(C)c3cccs3)cc2)CC1 ZINC000807276560 1080431757 /nfs/dbraw/zinc/43/17/57/1080431757.db2.gz ZPPSBOSYBHHUJC-UHFFFAOYSA-N 1 1 400.548 2.880 20 0 HFADMO CCOC(=O)C1=C(Nc2ncccc2C(=O)N(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001170521005 1080441055 /nfs/dbraw/zinc/44/10/55/1080441055.db2.gz DRFSYPVUHKFFIQ-UHFFFAOYSA-N 1 1 408.502 2.918 20 0 HFADMO CCc1ccc([C@@H](O)CNC(=O)C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)cc1 ZINC000807294749 1080485684 /nfs/dbraw/zinc/48/56/84/1080485684.db2.gz LBLOXMRZZVIYML-IBGZPJMESA-N 1 1 403.910 2.752 20 0 HFADMO CCOC(=O)C1C[N@@H+](Cc2ccccc2)CCC1=Nc1ccc(C(=O)NC(C)C)nn1 ZINC001170521977 1080492390 /nfs/dbraw/zinc/49/23/90/1080492390.db2.gz RVVKEBHXTNPQMT-UHFFFAOYSA-N 1 1 423.517 2.750 20 0 HFADMO CCOC(=O)C1=C(N=c2cc(-n3ccnc3)[nH]cn2)CC[N@@H+](Cc2ccccc2)C1 ZINC001170522057 1080495459 /nfs/dbraw/zinc/49/54/59/1080495459.db2.gz VXVFHNVZANJWJM-UHFFFAOYSA-N 1 1 404.474 2.797 20 0 HFADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)[C@H](C)C1 ZINC000807317839 1080510598 /nfs/dbraw/zinc/51/05/98/1080510598.db2.gz AXAVRRDHOIIKJK-QGZVFWFLSA-N 1 1 424.549 2.553 20 0 HFADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)[C@H](C)C1 ZINC000807317839 1080510601 /nfs/dbraw/zinc/51/06/01/1080510601.db2.gz AXAVRRDHOIIKJK-QGZVFWFLSA-N 1 1 424.549 2.553 20 0 HFADMO O=C(CSCc1ccc(F)cc1)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000807358942 1080520428 /nfs/dbraw/zinc/52/04/28/1080520428.db2.gz ODTDHDAJNNTHDH-UHFFFAOYSA-N 1 1 416.518 2.947 20 0 HFADMO Cc1csc([C@@H](C)CNC(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000807350868 1080557094 /nfs/dbraw/zinc/55/70/94/1080557094.db2.gz VQVAQXTWHKORSH-AOMKIAJQSA-N 1 1 414.575 2.700 20 0 HFADMO C[C@H](O)c1cc(NC(=O)C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)ccc1F ZINC000807396279 1080561311 /nfs/dbraw/zinc/56/13/11/1080561311.db2.gz KVIQVXULHRFUSP-GJZGRUSLSA-N 1 1 415.465 2.849 20 0 HFADMO C[NH+](C)[C@H](CNC(=O)N1CCN(C(=O)OCc2ccccc2)CC1)c1ccco1 ZINC000747393382 1080565324 /nfs/dbraw/zinc/56/53/24/1080565324.db2.gz CRCDUWLGEFGTMO-GOSISDBHSA-N 1 1 400.479 2.546 20 0 HFADMO CCOC(=O)C1C[N@@H+](Cc2ccccc2)CC=C1Nc1ccnc(C(=O)OC)c1C ZINC001170523051 1080569830 /nfs/dbraw/zinc/56/98/30/1080569830.db2.gz ZHSSIYBKXAGRLC-UHFFFAOYSA-N 1 1 409.486 2.734 20 0 HFADMO CCC[N@H+](C)[C@@H](CNC(=O)N(CCS(C)(=O)=O)C1CC1)c1ccc(Cl)cc1 ZINC000807410514 1080606718 /nfs/dbraw/zinc/60/67/18/1080606718.db2.gz OZMMMVYHCPBORA-SFHVURJKSA-N 1 1 415.987 2.942 20 0 HFADMO CCC[N@@H+](C)[C@@H](CNC(=O)N(CCS(C)(=O)=O)C1CC1)c1ccc(Cl)cc1 ZINC000807410514 1080606720 /nfs/dbraw/zinc/60/67/20/1080606720.db2.gz OZMMMVYHCPBORA-SFHVURJKSA-N 1 1 415.987 2.942 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000805284795 1080673159 /nfs/dbraw/zinc/67/31/59/1080673159.db2.gz YVZFSTROHRCWMU-SFTDATJTSA-N 1 1 417.550 2.747 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000805284795 1080673166 /nfs/dbraw/zinc/67/31/66/1080673166.db2.gz YVZFSTROHRCWMU-SFTDATJTSA-N 1 1 417.550 2.747 20 0 HFADMO COC(=O)Nc1cccc(CNC(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000807491419 1080679418 /nfs/dbraw/zinc/67/94/18/1080679418.db2.gz NXNYGYADNVPPHD-FCEWJHQRSA-N 1 1 404.511 2.648 20 0 HFADMO COC(=O)Nc1cccc(CNC(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000807491419 1080679421 /nfs/dbraw/zinc/67/94/21/1080679421.db2.gz NXNYGYADNVPPHD-FCEWJHQRSA-N 1 1 404.511 2.648 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCC[C@](C)(O)c1ccccc1 ZINC000807497464 1080691346 /nfs/dbraw/zinc/69/13/46/1080691346.db2.gz AXAXHDOUKGJLHQ-NLFFAJNJSA-N 1 1 423.557 2.523 20 0 HFADMO Cc1nc2c(s1)[C@H](NC(=O)C(=O)N[C@@H]1C[N@H+](Cc3ccccc3)C[C@H]1C)CCC2 ZINC000807546918 1080763389 /nfs/dbraw/zinc/76/33/89/1080763389.db2.gz SLGUXJLSOXQPIP-NIKGAXFTSA-N 1 1 412.559 2.582 20 0 HFADMO COc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)c(C)c1OC ZINC000807524410 1080776208 /nfs/dbraw/zinc/77/62/08/1080776208.db2.gz TWILTMJYHWYQER-CQSZACIVSA-N 1 1 423.473 2.717 20 0 HFADMO CC[N@H+]1CC[C@H](N(C)C(=O)CCN2C(=S)N=NC2c2ccc(OC)cc2)C[C@H]1C ZINC000747400988 1080778490 /nfs/dbraw/zinc/77/84/90/1080778490.db2.gz BAQDDVVHMANWSX-WBVHZDCISA-N 1 1 417.579 2.964 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000807556937 1080808428 /nfs/dbraw/zinc/80/84/28/1080808428.db2.gz VOQAJLRYHUGMLZ-QFIPXVFZSA-N 1 1 414.937 2.688 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000807556936 1080808511 /nfs/dbraw/zinc/80/85/11/1080808511.db2.gz VOQAJLRYHUGMLZ-JOCHJYFZSA-N 1 1 414.937 2.688 20 0 HFADMO COc1cccc(-c2nnc(C[NH2+][C@@](C)(CO)Cc3ccc(OC)c(OC)c3)o2)c1 ZINC001198230459 1126155846 /nfs/dbraw/zinc/15/58/46/1126155846.db2.gz QSZGCOKHOYNWEI-JOCHJYFZSA-N 1 1 413.474 2.846 20 0 HFADMO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC001560183668 1126209489 /nfs/dbraw/zinc/20/94/89/1126209489.db2.gz VKWNQKQXFNMGTB-NRFANRHFSA-N 1 1 418.490 2.968 20 0 HFADMO NC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164626651 719082768 /nfs/dbraw/zinc/08/27/68/719082768.db2.gz OXLCHXJACAOBJS-KGLIPLIRSA-N 1 1 406.317 2.983 20 0 HFADMO CC[C@@H]1C(=O)N(C)c2cnc(N3C[C@H](C)[N@@H+](C)C[C@H]3C)nc2N1[C@H]1CCC(F)(F)C1 ZINC001164635588 719226401 /nfs/dbraw/zinc/22/64/01/719226401.db2.gz JFUYCKDUQIDRFK-XUWVNRHRSA-N 1 1 422.524 2.755 20 0 HFADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nccc(C(=O)OC(C)(C)C)n1)CC2 ZINC001164648353 719312260 /nfs/dbraw/zinc/31/22/60/719312260.db2.gz INKRBPCCLUEAKB-UHFFFAOYSA-N 1 1 400.527 2.834 20 0 HFADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2sc(C)c(C)c21 ZINC001164698657 719843246 /nfs/dbraw/zinc/84/32/46/719843246.db2.gz GPTRYTOWMMBCFC-QRWLVFNGSA-N 1 1 404.536 2.541 20 0 HFADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2ccc(Cl)cc21 ZINC001164704676 719844647 /nfs/dbraw/zinc/84/46/47/719844647.db2.gz SIKGYQNPWWCJRD-FOIQADDNSA-N 1 1 404.898 2.516 20 0 HFADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2cc(Cl)ccc21 ZINC001164705207 719849632 /nfs/dbraw/zinc/84/96/32/719849632.db2.gz SVULJJVJXQIGGV-MGPUTAFESA-N 1 1 404.898 2.516 20 0 HFADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc2ncccc21 ZINC001164706908 719851947 /nfs/dbraw/zinc/85/19/47/719851947.db2.gz ZNYSENGZOJRGBC-JLTOFOAXSA-N 1 1 404.898 2.516 20 0 HFADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nncc2cc(Cl)ccc21 ZINC001164700561 719856552 /nfs/dbraw/zinc/85/65/52/719856552.db2.gz IAKHRXSPARXOKP-OXJNMPFZSA-N 1 1 404.898 2.516 20 0 HFADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc2[nH]cc(C)c21 ZINC001164706168 719866417 /nfs/dbraw/zinc/86/64/17/719866417.db2.gz OWXMJAYHEXMUIB-XOBRGWDASA-N 1 1 406.914 2.757 20 0 HFADMO Clc1nc2c(c(N3CCC4(CC3)CN(Cc3cccs3)CCO4)n1)C[NH2+]CC2 ZINC001164703472 719886226 /nfs/dbraw/zinc/88/62/26/719886226.db2.gz SLZHLMSVIQMGDJ-UHFFFAOYSA-N 1 1 419.982 2.709 20 0 HFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(NC3CC3)n1)CC2 ZINC001164712004 720092544 /nfs/dbraw/zinc/09/25/44/720092544.db2.gz TWLNWKGKGWXSIE-FQEVSTJZSA-N 1 1 408.550 2.953 20 0 HFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C(=O)OC)ccn1)CC2 ZINC001164710996 720095167 /nfs/dbraw/zinc/09/51/67/720095167.db2.gz MPHPOKOQGCEIHQ-HXUWFJFHSA-N 1 1 410.518 2.771 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(OC)cc(OC)c31)C2 ZINC001164807398 720126277 /nfs/dbraw/zinc/12/62/77/720126277.db2.gz CGHPLMDRIBSUKU-GAJHUEQPSA-N 1 1 412.534 2.832 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc(Cl)c1[C@@H](C)C(=O)OC)C2 ZINC001164811829 720201463 /nfs/dbraw/zinc/20/14/63/720201463.db2.gz KFSJRZDRSVHJKZ-IVZHQMGZSA-N 1 1 422.957 2.591 20 0 HFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN([C@H](F)Oc1ccc(Cl)nc1)CCC2 ZINC001164811974 720224181 /nfs/dbraw/zinc/22/41/81/720224181.db2.gz BQIQHNMMAXHGDP-IBGZPJMESA-N 1 1 409.893 2.670 20 0 HFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN([C@@H](F)Oc1cccc(Cl)n1)CCC2 ZINC001164813434 720224448 /nfs/dbraw/zinc/22/44/48/720224448.db2.gz MBVUMTCNTZVFOM-LJQANCHMSA-N 1 1 409.893 2.670 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4cccc(Cl)c4n3)C2)C1 ZINC001164719850 720236478 /nfs/dbraw/zinc/23/64/78/720236478.db2.gz PQEGVXWPTQWQHP-NRFANRHFSA-N 1 1 402.926 2.553 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4cccc(Cl)c4n3)C2)C1 ZINC001164719850 720236480 /nfs/dbraw/zinc/23/64/80/720236480.db2.gz PQEGVXWPTQWQHP-NRFANRHFSA-N 1 1 402.926 2.553 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc4c(C)ccc(F)c4cc3C)C2)C1 ZINC001164719971 720264021 /nfs/dbraw/zinc/26/40/21/720264021.db2.gz QDGPIXGGIXAYSP-HSZRJFAPSA-N 1 1 414.525 2.656 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc4c(C)ccc(F)c4cc3C)C2)C1 ZINC001164719971 720264025 /nfs/dbraw/zinc/26/40/25/720264025.db2.gz QDGPIXGGIXAYSP-HSZRJFAPSA-N 1 1 414.525 2.656 20 0 HFADMO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164729915 720349228 /nfs/dbraw/zinc/34/92/28/720349228.db2.gz YWEXVPSBNBXPOH-GJZGRUSLSA-N 1 1 408.884 2.989 20 0 HFADMO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164729915 720349234 /nfs/dbraw/zinc/34/92/34/720349234.db2.gz YWEXVPSBNBXPOH-GJZGRUSLSA-N 1 1 408.884 2.989 20 0 HFADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)[nH]1 ZINC001164724728 720403392 /nfs/dbraw/zinc/40/33/92/720403392.db2.gz LHAHQPMARHJKAL-HZPDHXFCSA-N 1 1 412.881 2.646 20 0 HFADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)[nH]1 ZINC001164724727 720403621 /nfs/dbraw/zinc/40/36/21/720403621.db2.gz LHAHQPMARHJKAL-HOTGVXAUSA-N 1 1 412.881 2.646 20 0 HFADMO Cc1cc(NC(=O)c2cccnc2N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)no1 ZINC001164734793 720432370 /nfs/dbraw/zinc/43/23/70/720432370.db2.gz UOFHDYRTDSXWKC-MOPGFXCFSA-N 1 1 404.474 2.879 20 0 HFADMO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731703 720443772 /nfs/dbraw/zinc/44/37/72/720443772.db2.gz MDICKLRMTHRMDX-CHWSQXEVSA-N 1 1 405.840 2.751 20 0 HFADMO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731703 720443779 /nfs/dbraw/zinc/44/37/79/720443779.db2.gz MDICKLRMTHRMDX-CHWSQXEVSA-N 1 1 405.840 2.751 20 0 HFADMO C[N@@H+](Cc1ccc(N2CC[C@H]3[C@H](CC(=O)N4CCCCC4)OC[C@@H]3C2)nc1)C1CC1 ZINC001164836106 720502777 /nfs/dbraw/zinc/50/27/77/720502777.db2.gz MOPAABMQBZAFMU-NNWRFLSQSA-N 1 1 412.578 2.920 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc4ccc(=O)n(C)c4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841471 720547757 /nfs/dbraw/zinc/54/77/57/720547757.db2.gz WBHGSDJHCWCXTF-HSALFYBXSA-N 1 1 406.534 2.508 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)cc4c3CNC4=O)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836318 720563899 /nfs/dbraw/zinc/56/38/99/720563899.db2.gz JODJGODOHPZZER-RVKKMQEKSA-N 1 1 414.941 2.553 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3[nH+][n-]c(Cl)c4ncnc3-4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836828 720566770 /nfs/dbraw/zinc/56/67/70/720566770.db2.gz LGEBYMWCSMCGBA-SOUVJXGZSA-N 1 1 400.918 2.581 20 0 HFADMO CCCNC(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164843124 720602609 /nfs/dbraw/zinc/60/26/09/720602609.db2.gz WMUDOBWSZRNMLA-IRFCIJBXSA-N 1 1 410.566 2.796 20 0 HFADMO CC(C)n1cnc2cnc(N3CC[C@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc21 ZINC001164837221 720606587 /nfs/dbraw/zinc/60/65/87/720606587.db2.gz HRGKTIIXEKXQEJ-BJLQDIEVSA-N 1 1 408.554 2.982 20 0 HFADMO Clc1ccc(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1 ZINC001164740193 720636750 /nfs/dbraw/zinc/63/67/50/720636750.db2.gz HQGDOPTVWMOYAA-ROUUACIJSA-N 1 1 408.893 2.929 20 0 HFADMO CSc1nc2ccsc2c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164738457 720685363 /nfs/dbraw/zinc/68/53/63/720685363.db2.gz JVDZUPPROAUPRS-QWHCGFSZSA-N 1 1 400.533 2.545 20 0 HFADMO CCOC(=O)c1cncc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164839780 720687845 /nfs/dbraw/zinc/68/78/45/720687845.db2.gz BRQDXRISPXYBDD-IBGZPJMESA-N 1 1 410.518 2.913 20 0 HFADMO CCOC(=O)Cc1cnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839758 720696866 /nfs/dbraw/zinc/69/68/66/720696866.db2.gz BOPNVHDYWDUFET-OAQYLSRUSA-N 1 1 424.545 2.842 20 0 HFADMO Cc1nc2sc3c(c2c(N2CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C2)n1)CCC3 ZINC001164739301 720757416 /nfs/dbraw/zinc/75/74/16/720757416.db2.gz IDEYOISCGKFOPK-GJZGRUSLSA-N 1 1 408.531 2.620 20 0 HFADMO Cc1nc2sc3c(c2c(N2CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C2)n1)CCC3 ZINC001164739299 720758620 /nfs/dbraw/zinc/75/86/20/720758620.db2.gz IDEYOISCGKFOPK-CABCVRRESA-N 1 1 408.531 2.620 20 0 HFADMO Clc1cccc(-c2cc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)ncn2)c1 ZINC001164738946 720770884 /nfs/dbraw/zinc/77/08/84/720770884.db2.gz HAKRQQGVNUXFFK-QZTJIDSGSA-N 1 1 408.893 2.929 20 0 HFADMO Fc1cc2ncc(Cl)nc2cc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742908 720778777 /nfs/dbraw/zinc/77/87/77/720778777.db2.gz PIURJATZYRTHBU-QWHCGFSZSA-N 1 1 400.845 2.554 20 0 HFADMO Cc1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164747534 720799405 /nfs/dbraw/zinc/79/94/05/720799405.db2.gz OOTNTYYLUVPAJJ-IAGOWNOFSA-N 1 1 423.908 2.632 20 0 HFADMO c1ccc(SCc2nccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164749807 720802414 /nfs/dbraw/zinc/80/24/14/720802414.db2.gz UOQVMYZWOQSLHL-MSOLQXFVSA-N 1 1 420.542 2.901 20 0 HFADMO Cc1cnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1-c1ccccc1F ZINC001164745509 720802538 /nfs/dbraw/zinc/80/25/38/720802538.db2.gz KQUUANLJUXOCEE-DLBZAZTESA-N 1 1 406.465 2.723 20 0 HFADMO Clc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C2CC2)n1 ZINC001164744878 720815136 /nfs/dbraw/zinc/81/51/36/720815136.db2.gz JEDONFGVZSBGFM-OKZBNKHCSA-N 1 1 413.957 2.978 20 0 HFADMO FC(F)(c1ccc(Cl)nn1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738389 720817510 /nfs/dbraw/zinc/81/75/10/720817510.db2.gz FENXMROIRXSZSU-OWCLPIDISA-N 1 1 423.899 2.646 20 0 HFADMO F[C@H](Oc1ccnc(Cl)c1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743289 720820228 /nfs/dbraw/zinc/82/02/28/720820228.db2.gz RXDBXICLPVFXLK-YTXYEVPYSA-N 1 1 420.920 2.833 20 0 HFADMO Clc1cnc(Cl)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164743338 720825685 /nfs/dbraw/zinc/82/56/85/720825685.db2.gz SHESNRRYKJANID-QLFBSQMISA-N 1 1 408.337 2.754 20 0 HFADMO CCOC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1C ZINC001164739533 720832192 /nfs/dbraw/zinc/83/21/92/720832192.db2.gz AZFAVATVKOILMC-SVFBPWRDSA-N 1 1 424.549 2.538 20 0 HFADMO Clc1cc2[nH]cnc2nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746541 720835485 /nfs/dbraw/zinc/83/54/85/720835485.db2.gz OJEDVHSRWNXXJP-HDMKZQKVSA-N 1 1 412.929 2.582 20 0 HFADMO Clc1cc2nc[nH]c2nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746541 720835488 /nfs/dbraw/zinc/83/54/88/720835488.db2.gz OJEDVHSRWNXXJP-HDMKZQKVSA-N 1 1 412.929 2.582 20 0 HFADMO Clc1cc2nc[nH]c2nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746541 720835490 /nfs/dbraw/zinc/83/54/90/720835490.db2.gz OJEDVHSRWNXXJP-HDMKZQKVSA-N 1 1 412.929 2.582 20 0 HFADMO COc1nnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2ccccc21 ZINC001164748013 720846427 /nfs/dbraw/zinc/84/64/27/720846427.db2.gz SETUTENOHPLPPY-BBTUJRGHSA-N 1 1 419.533 2.609 20 0 HFADMO c1ncn(C[C@H]2C[C@H]3CN(c4ccc(-c5ccccn5)nn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746117 720852446 /nfs/dbraw/zinc/85/24/46/720852446.db2.gz FSIBXMAHTSYCMV-NNMXDRDESA-N 1 1 416.533 2.510 20 0 HFADMO CC(C)OC(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747172 720856571 /nfs/dbraw/zinc/85/65/71/720856571.db2.gz IAUHRGKEOTWVGM-QKNQBKEWSA-N 1 1 424.549 2.618 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccccn4)nc4ccccc43)CC[C@@H]2C1 ZINC001164863751 720874643 /nfs/dbraw/zinc/87/46/43/720874643.db2.gz UBUXDNQAWMXPSG-XMSQKQJNSA-N 1 1 419.529 2.865 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4oc(-c5ccc(C)cc5)nc43)CC[C@@H]2C1 ZINC001164864709 720877679 /nfs/dbraw/zinc/87/76/79/720877679.db2.gz WOUPVBHLSWPDCS-RTBURBONSA-N 1 1 423.517 2.767 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(C4CC4)nnc3Cl)CC[C@@H]2C1 ZINC001164853370 720877695 /nfs/dbraw/zinc/87/76/95/720877695.db2.gz CCTHBWZFDQPFAS-PBHICJAKSA-N 1 1 416.900 2.726 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3cc(-c4cccc(Cl)c4)ncn3)CC[C@H]2C1 ZINC001164863831 720879319 /nfs/dbraw/zinc/87/93/19/720879319.db2.gz UUPAQJHLLIMHGY-PXNSSMCTSA-N 1 1 402.926 2.971 20 0 HFADMO CN(C)c1nccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753861 720884400 /nfs/dbraw/zinc/88/44/00/720884400.db2.gz HIZVVQPZEOFUAQ-XUZZJYLKSA-N 1 1 422.577 2.693 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3c(Cl)nc(Cl)nc3C3CC3)CC[C@H]2C1 ZINC001164865214 720889360 /nfs/dbraw/zinc/88/93/60/720889360.db2.gz YWBHMBGFISHKGC-KBPBESRZSA-N 1 1 401.338 2.834 20 0 HFADMO CCOC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164870441 721042895 /nfs/dbraw/zinc/04/28/95/721042895.db2.gz VWHWPGPHYOVDGM-ROUUACIJSA-N 1 1 416.909 2.786 20 0 HFADMO Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3c2cc(OC3CC[NH+](C)CC3)ccn2)n1 ZINC001164771977 721056144 /nfs/dbraw/zinc/05/61/44/721056144.db2.gz NZKXYPXYYAFZTF-YADHBBJMSA-N 1 1 421.545 2.638 20 0 HFADMO CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001164762517 721071497 /nfs/dbraw/zinc/07/14/97/721071497.db2.gz FDHBFXMFBURIBS-WBVHZDCISA-N 1 1 403.914 2.604 20 0 HFADMO CCOC(=O)c1c(Cl)cc(C)nc1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164773488 721078596 /nfs/dbraw/zinc/07/85/96/721078596.db2.gz XJMAVXDKLKHMII-SJORKVTESA-N 1 1 417.941 2.912 20 0 HFADMO COCc1cc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(-c2ccccc2)n1 ZINC001164766586 721081480 /nfs/dbraw/zinc/08/14/80/721081480.db2.gz KWQUWFHSYIQQHF-NHCUHLMSSA-N 1 1 418.545 2.982 20 0 HFADMO COc1cc(C(F)(F)N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc(Cl)n1 ZINC001164772020 721084006 /nfs/dbraw/zinc/08/40/06/721084006.db2.gz SXBISRLBIHNUAK-HUUCEWRRSA-N 1 1 411.884 2.980 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4CSCC5)C[C@@H]3C2)cn1 ZINC001164763697 721088011 /nfs/dbraw/zinc/08/80/11/721088011.db2.gz GRIWMYBOSWYPJO-GJZGRUSLSA-N 1 1 404.971 2.611 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cncc(OCc5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164766543 721093593 /nfs/dbraw/zinc/09/35/93/721093593.db2.gz KTPXMAADUPRKID-NHCUHLMSSA-N 1 1 404.518 2.747 20 0 HFADMO c1ccc(COc2cnnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2)cc1 ZINC001164864837 721103875 /nfs/dbraw/zinc/10/38/75/721103875.db2.gz GSBWWHNFGNWDEB-GMAHTHKFSA-N 1 1 417.513 2.930 20 0 HFADMO COc1cc2nc(C)nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2cc1OC ZINC001164763406 721136000 /nfs/dbraw/zinc/13/60/00/721136000.db2.gz FMNWOEPCEPDTPA-ZWKOTPCHSA-N 1 1 422.533 2.647 20 0 HFADMO Cc1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccncc2)n1 ZINC001164875351 721135991 /nfs/dbraw/zinc/13/59/91/721135991.db2.gz KXVIUAPSMBCDNY-RTWAWAEBSA-N 1 1 402.502 2.722 20 0 HFADMO CCOC(=O)c1cnc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c(Cl)c1 ZINC001164773312 721139387 /nfs/dbraw/zinc/13/93/87/721139387.db2.gz YEQYYQNRTQXRFU-RDJZCZTQSA-N 1 1 403.914 2.604 20 0 HFADMO COC(=O)c1cccc2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)ccc21 ZINC001164869793 721169954 /nfs/dbraw/zinc/16/99/54/721169954.db2.gz BPZUQZKSMDHWQJ-RTBURBONSA-N 1 1 418.497 2.896 20 0 HFADMO COC(=O)c1cccc2nc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)ccc21 ZINC001164770809 721225955 /nfs/dbraw/zinc/22/59/55/721225955.db2.gz OOHHQIMOEYBMBA-MSOLQXFVSA-N 1 1 405.502 2.713 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)cc(-c5ccncc5)n4)C[C@@H]3C2)cn1 ZINC001164759519 721237183 /nfs/dbraw/zinc/23/71/83/721237183.db2.gz ARTCWASUJRNOKV-MSOLQXFVSA-N 1 1 409.925 2.884 20 0 HFADMO Cc1c(Cl)nc(C(C)C)nc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164879646 721291830 /nfs/dbraw/zinc/29/18/30/721291830.db2.gz YFASAPFIIOJWLR-UHFFFAOYSA-N 1 1 423.989 2.569 20 0 HFADMO c1ccc(N2CCN(c3ccc(N4CC5(C4)CC[N@H+](CC4CC4)C5)nn3)CC2)cc1 ZINC001164768842 721298936 /nfs/dbraw/zinc/29/89/36/721298936.db2.gz HYBILHSSFBDVGR-UHFFFAOYSA-N 1 1 404.562 2.725 20 0 HFADMO Cc1ccc(N2CCO[C@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)C[C@@H]32)nn1 ZINC001164775170 721311412 /nfs/dbraw/zinc/31/14/12/721311412.db2.gz AOJACEPDHMOOCW-ROUUACIJSA-N 1 1 414.941 2.523 20 0 HFADMO C[N@@H+](Cc1ccc(N(c2ccccn2)c2ccnc([C@H]3COCCN3)n2)nc1)C1CC1 ZINC001164876893 721329513 /nfs/dbraw/zinc/32/95/13/721329513.db2.gz RLKAGPLWTBVOQT-LJQANCHMSA-N 1 1 417.517 2.992 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ncc3F)C2)C1 ZINC001164777579 721332872 /nfs/dbraw/zinc/33/28/72/721332872.db2.gz OHACMMVGMLJVSO-LJQANCHMSA-N 1 1 409.893 2.993 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ncc3F)C2)C1 ZINC001164777579 721332874 /nfs/dbraw/zinc/33/28/74/721332874.db2.gz OHACMMVGMLJVSO-LJQANCHMSA-N 1 1 409.893 2.993 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4c3ccn4C)C2)C1 ZINC001164776399 721337839 /nfs/dbraw/zinc/33/78/39/721337839.db2.gz FFMGEYVBRXZVPA-JOCHJYFZSA-N 1 1 410.522 2.692 20 0 HFADMO CSc1ccnc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164777723 721337912 /nfs/dbraw/zinc/33/79/12/721337912.db2.gz PSRNPEZBSUIPFH-HXUWFJFHSA-N 1 1 403.552 2.922 20 0 HFADMO CSc1ccnc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164777723 721337919 /nfs/dbraw/zinc/33/79/19/721337919.db2.gz PSRNPEZBSUIPFH-HXUWFJFHSA-N 1 1 403.552 2.922 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cccc(Cl)[n+]3[O-])C2)C1 ZINC001164778194 721344765 /nfs/dbraw/zinc/34/47/65/721344765.db2.gz KNHQNWHKQNXEEJ-FQEVSTJZSA-N 1 1 406.914 2.697 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cccc(Cl)[n+]3[O-])C2)C1 ZINC001164778194 721344769 /nfs/dbraw/zinc/34/47/69/721344769.db2.gz KNHQNWHKQNXEEJ-FQEVSTJZSA-N 1 1 406.914 2.697 20 0 HFADMO CSc1nc(Cl)cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164893608 721382608 /nfs/dbraw/zinc/38/26/08/721382608.db2.gz WBNGAZPQQHLCAQ-HNAYVOBHSA-N 1 1 412.003 2.617 20 0 HFADMO Cc1nc2cc(F)ccc2c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164890900 721397359 /nfs/dbraw/zinc/39/73/59/721397359.db2.gz PCQJWXBDRYXNNX-WMZHIEFXSA-N 1 1 413.541 2.843 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN([C@@H](F)Oc4cccc(Cl)n4)C3)O2)CC1 ZINC001164887729 721411706 /nfs/dbraw/zinc/41/17/06/721411706.db2.gz MSJSULUANDIEAH-PWIZWCRZSA-N 1 1 412.937 2.628 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5[nH]c6ccccc6c54)C3)O2)CC1 ZINC001164892504 721417449 /nfs/dbraw/zinc/41/74/49/721417449.db2.gz YPECOUBUILWDML-KOSHJBKYSA-N 1 1 420.561 2.877 20 0 HFADMO CCOc1ccc(Cl)nc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164891149 721418264 /nfs/dbraw/zinc/41/82/64/721418264.db2.gz VHVXBLXCTQWIBQ-DYESRHJHSA-N 1 1 408.974 2.899 20 0 HFADMO CCOc1ccc(Cl)nc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164891153 721418343 /nfs/dbraw/zinc/41/83/43/721418343.db2.gz VHVXBLXCTQWIBQ-UTKZUKDTSA-N 1 1 408.974 2.899 20 0 HFADMO CC(C)N1Cc2c(nc(Cl)nc2N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)C1=O ZINC001164791019 721422887 /nfs/dbraw/zinc/42/28/87/721422887.db2.gz YYHUJOLWJJWSTB-BETUJISGSA-N 1 1 418.954 2.519 20 0 HFADMO CC(C)N1Cc2c(nc(Cl)nc2N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)C1=O ZINC001164791019 721422891 /nfs/dbraw/zinc/42/28/91/721422891.db2.gz YYHUJOLWJJWSTB-BETUJISGSA-N 1 1 418.954 2.519 20 0 HFADMO C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nc2)C1 ZINC001164783711 721425776 /nfs/dbraw/zinc/42/57/76/721425776.db2.gz JNJBRFJZGFAIGO-QRQLOZEOSA-N 1 1 411.575 2.978 20 0 HFADMO C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nc2)C1 ZINC001164783711 721425780 /nfs/dbraw/zinc/42/57/80/721425780.db2.gz JNJBRFJZGFAIGO-QRQLOZEOSA-N 1 1 411.575 2.978 20 0 HFADMO C=Cc1nc(Cl)nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1OC ZINC001164897734 721430749 /nfs/dbraw/zinc/43/07/49/721430749.db2.gz UPNCNGZYRQYHPK-IERDGZPVSA-N 1 1 421.973 2.547 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cnc(-c5ccccc5)cn4)C3)O2)CC1 ZINC001164896060 721433941 /nfs/dbraw/zinc/43/39/41/721433941.db2.gz QJYVPWMNXUYENC-QPPBQGQZSA-N 1 1 407.562 2.909 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cnc(-c5ccccc5)cn4)C3)O2)CC1 ZINC001164896062 721434247 /nfs/dbraw/zinc/43/42/47/721434247.db2.gz QJYVPWMNXUYENC-URXFXBBRSA-N 1 1 407.562 2.909 20 0 HFADMO Cc1ccc(-c2ccc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nn2)o1 ZINC001164889581 721441414 /nfs/dbraw/zinc/44/14/14/721441414.db2.gz BXAGXWVODVBQMA-CVDCTZTESA-N 1 1 411.550 2.810 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncccc1C(=O)OC)CC2 ZINC001164785229 721453138 /nfs/dbraw/zinc/45/31/38/721453138.db2.gz HNUVHOIAQVOZFQ-LJQANCHMSA-N 1 1 417.550 2.602 20 0 HFADMO CCOc1nccnc1N1CCC2(C[C@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164788752 721469922 /nfs/dbraw/zinc/46/99/22/721469922.db2.gz JKKOLGIQGLJJOK-LJQANCHMSA-N 1 1 404.555 2.609 20 0 HFADMO O=C(C[C@@]12COC[C@H]1CN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2)NCC1CC1 ZINC001164893887 721482480 /nfs/dbraw/zinc/48/24/80/721482480.db2.gz FNJGNMFXCJLRQQ-XMSQKQJNSA-N 1 1 418.969 2.700 20 0 HFADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCOCC3)ncn1)CC2 ZINC001164793170 721490343 /nfs/dbraw/zinc/49/03/43/721490343.db2.gz OSUFDQLLECKBNT-UHFFFAOYSA-N 1 1 408.550 2.589 20 0 HFADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c1C(C)(C)C(=O)N3)CC2 ZINC001164795146 721499118 /nfs/dbraw/zinc/49/91/18/721499118.db2.gz FGAGWUZIOSHEGW-UHFFFAOYSA-N 1 1 406.534 2.982 20 0 HFADMO COC(=O)c1cc(Cl)cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164799859 721529965 /nfs/dbraw/zinc/52/99/65/721529965.db2.gz BIEXOZOERQCRPC-QYZOEREBSA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1cc(Cl)cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164799859 721529967 /nfs/dbraw/zinc/52/99/67/721529967.db2.gz BIEXOZOERQCRPC-QYZOEREBSA-N 1 1 416.909 2.785 20 0 HFADMO COCc1cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(SC)n1 ZINC001164909236 721532478 /nfs/dbraw/zinc/53/24/78/721532478.db2.gz QZJSVSQBJQJFHV-WMZOPIPTSA-N 1 1 404.511 2.826 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3nc(Cl)ccc32)[C@@H]2CCCO[C@H]12 ZINC001164809462 721535488 /nfs/dbraw/zinc/53/54/88/721535488.db2.gz UWIRHNDEKMYUAM-LMMKCTJWSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3nc(Cl)ccc32)[C@@H]2CCCO[C@H]12 ZINC001164809462 721535490 /nfs/dbraw/zinc/53/54/90/721535490.db2.gz UWIRHNDEKMYUAM-LMMKCTJWSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3nc(Cl)ccc32)[C@H]2CCCO[C@H]12 ZINC001164809464 721535915 /nfs/dbraw/zinc/53/59/15/721535915.db2.gz UWIRHNDEKMYUAM-SCTDSRPQSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3nc(Cl)ccc32)[C@H]2CCCO[C@H]12 ZINC001164809464 721535916 /nfs/dbraw/zinc/53/59/16/721535916.db2.gz UWIRHNDEKMYUAM-SCTDSRPQSA-N 1 1 410.909 2.941 20 0 HFADMO O=C1NCc2c1c(N1CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C1)nc(Cl)c2F ZINC001164908109 721539257 /nfs/dbraw/zinc/53/92/57/721539257.db2.gz OSICEIWZUPROKW-GXTWGEPZSA-N 1 1 420.847 2.599 20 0 HFADMO CC(C)(C)OC(=O)c1ccnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164903417 721540701 /nfs/dbraw/zinc/54/07/01/721540701.db2.gz CLEWJYVAGMOJGQ-AEFFLSMTSA-N 1 1 414.481 2.913 20 0 HFADMO Cn1ccc2c1nc(Cl)nc2N1C[C@@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164808431 721545498 /nfs/dbraw/zinc/54/54/98/721545498.db2.gz SDRLZAMIDOPHFB-KZNAEPCWSA-N 1 1 412.925 2.885 20 0 HFADMO Cn1ccc2c1nc(Cl)nc2N1C[C@@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164808431 721545502 /nfs/dbraw/zinc/54/55/02/721545502.db2.gz SDRLZAMIDOPHFB-KZNAEPCWSA-N 1 1 412.925 2.885 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnnc(Cl)c2)[C@@H]2CCCO[C@@H]12 ZINC001164806739 721555159 /nfs/dbraw/zinc/55/51/59/721555159.db2.gz RMQALOQXHNYIAK-JFIYKMOQSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnnc(Cl)c2)[C@@H]2CCCO[C@@H]12 ZINC001164806739 721555160 /nfs/dbraw/zinc/55/51/60/721555160.db2.gz RMQALOQXHNYIAK-JFIYKMOQSA-N 1 1 409.868 2.938 20 0 HFADMO CCOC(=O)c1cc(C)cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164808667 721555274 /nfs/dbraw/zinc/55/52/74/721555274.db2.gz VHGDODJGKQLYSU-QHAWAJNXSA-N 1 1 410.518 2.830 20 0 HFADMO CCOC(=O)c1cc(C)cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164808667 721555277 /nfs/dbraw/zinc/55/52/77/721555277.db2.gz VHGDODJGKQLYSU-QHAWAJNXSA-N 1 1 410.518 2.830 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(-c3cccnc3F)n2)[C@H]2CCCO[C@@H]12 ZINC001164810695 721568422 /nfs/dbraw/zinc/56/84/22/721568422.db2.gz ZWNMQIHQJBQHPS-PWRODBHTSA-N 1 1 420.492 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(-c3cccnc3F)n2)[C@H]2CCCO[C@@H]12 ZINC001164810695 721568425 /nfs/dbraw/zinc/56/84/25/721568425.db2.gz ZWNMQIHQJBQHPS-PWRODBHTSA-N 1 1 420.492 2.941 20 0 HFADMO COc1nnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c2ccccc21 ZINC001164805810 721576668 /nfs/dbraw/zinc/57/66/68/721576668.db2.gz OXWCSXGMOKJACE-PCCBWWKXSA-N 1 1 405.502 2.902 20 0 HFADMO COc1nnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c2ccccc21 ZINC001164805810 721576671 /nfs/dbraw/zinc/57/66/71/721576671.db2.gz OXWCSXGMOKJACE-PCCBWWKXSA-N 1 1 405.502 2.902 20 0 HFADMO CC1CCN(c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nn2)CC1 ZINC001164802569 721579684 /nfs/dbraw/zinc/57/96/84/721579684.db2.gz GKAPZHDVXMKIKT-ZFGGDYGUSA-N 1 1 422.577 2.976 20 0 HFADMO CCOC(=O)c1nccnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908682 721704278 /nfs/dbraw/zinc/70/42/78/721704278.db2.gz YNYSHTOMZBXPPR-HXUWFJFHSA-N 1 1 417.460 2.786 20 0 HFADMO C[NH+]1CCC(Oc2ccnc(N3CCC[C@H]4CN(C(=O)c5ccco5)C[C@@H]43)c2)CC1 ZINC001165015103 721773145 /nfs/dbraw/zinc/77/31/45/721773145.db2.gz IOTYVHBNBRCRSN-PXNSSMCTSA-N 1 1 410.518 2.889 20 0 HFADMO Cc1cc2ncnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2cc1C ZINC001164913947 721799493 /nfs/dbraw/zinc/79/94/93/721799493.db2.gz JBIWRAMVZJOFBP-XMMPIXPASA-N 1 1 419.529 2.749 20 0 HFADMO Cc1cc2ncnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2cc1C ZINC001164913947 721799494 /nfs/dbraw/zinc/79/94/94/721799494.db2.gz JBIWRAMVZJOFBP-XMMPIXPASA-N 1 1 419.529 2.749 20 0 HFADMO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026362 721803940 /nfs/dbraw/zinc/80/39/40/721803940.db2.gz QYXKCQAIYIRMOS-QSFXBCCZSA-N 1 1 420.517 2.828 20 0 HFADMO COC(=O)c1cc2c(ncnc2N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH]1 ZINC001165026362 721803942 /nfs/dbraw/zinc/80/39/42/721803942.db2.gz QYXKCQAIYIRMOS-QSFXBCCZSA-N 1 1 420.517 2.828 20 0 HFADMO COC(=O)c1cc2c(ncnc2N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH]1 ZINC001165026362 721803944 /nfs/dbraw/zinc/80/39/44/721803944.db2.gz QYXKCQAIYIRMOS-QSFXBCCZSA-N 1 1 420.517 2.828 20 0 HFADMO Cc1nc(CN2CCOC[C@]3(CN(c4cc(C5CC5)cc[nH+]4)CCO3)C2)cs1 ZINC001164923493 721829107 /nfs/dbraw/zinc/82/91/07/721829107.db2.gz RUBUOCYPFNWKDA-OAQYLSRUSA-N 1 1 400.548 2.832 20 0 HFADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ncnc2c1ccn2Cc1cccc(F)c1 ZINC001164927936 721866738 /nfs/dbraw/zinc/86/67/38/721866738.db2.gz XGQQDMDARFNSOH-SFTDATJTSA-N 1 1 408.525 2.833 20 0 HFADMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ncnc2c1ccn2Cc1cccc(F)c1 ZINC001164927936 721866739 /nfs/dbraw/zinc/86/67/39/721866739.db2.gz XGQQDMDARFNSOH-SFTDATJTSA-N 1 1 408.525 2.833 20 0 HFADMO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4CCN(C)C)c2c1C ZINC001164932334 721878086 /nfs/dbraw/zinc/87/80/86/721878086.db2.gz IUUCDCCRLMGJPZ-CVEARBPZSA-N 1 1 417.579 2.699 20 0 HFADMO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)c2c1C ZINC001164932334 721878088 /nfs/dbraw/zinc/87/80/88/721878088.db2.gz IUUCDCCRLMGJPZ-CVEARBPZSA-N 1 1 417.579 2.699 20 0 HFADMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(-c2ccc3c(c2)OCCCO3)nn1 ZINC001164933298 721883141 /nfs/dbraw/zinc/88/31/41/721883141.db2.gz LOFBZLMMYJUJAT-PMACEKPBSA-N 1 1 409.534 2.520 20 0 HFADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(-c2ccc3c(c2)OCCCO3)nn1 ZINC001164933298 721883142 /nfs/dbraw/zinc/88/31/42/721883142.db2.gz LOFBZLMMYJUJAT-PMACEKPBSA-N 1 1 409.534 2.520 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@@]2(C[C@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001164940355 721919781 /nfs/dbraw/zinc/91/97/81/721919781.db2.gz ZMRXVCOMEDRFLY-LAUBAEHRSA-N 1 1 407.942 2.843 20 0 HFADMO COC(=O)Cc1cccc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939702 721925496 /nfs/dbraw/zinc/92/54/96/721925496.db2.gz LKGYUFZVCIQWSP-UHFFFAOYSA-N 1 1 409.530 2.977 20 0 HFADMO COc1cc2cc[nH+]c(N3C[C@@H]4OCCN(Cc5c(C)noc5C)[C@H]4C3)c2cc1OC ZINC001164943057 721947943 /nfs/dbraw/zinc/94/79/43/721947943.db2.gz NFTUFZFSOJMWRW-UGKGYDQZSA-N 1 1 424.501 2.946 20 0 HFADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3[nH]ccc31)CC2 ZINC001164947107 721968613 /nfs/dbraw/zinc/96/86/13/721968613.db2.gz PDENYPWRAUTCQK-UHFFFAOYSA-N 1 1 410.909 2.582 20 0 HFADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3[nH]ccc31)CC2 ZINC001164947107 721968617 /nfs/dbraw/zinc/96/86/17/721968617.db2.gz PDENYPWRAUTCQK-UHFFFAOYSA-N 1 1 410.909 2.582 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cccn3C)[C@@H]3COC[C@@H]32)nc1 ZINC001164962556 722037978 /nfs/dbraw/zinc/03/79/78/722037978.db2.gz NWFXSJHORDCFAW-KEZQHZCBSA-N 1 1 423.561 2.601 20 0 HFADMO Cc1noc(C[C@@H]2C[C@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)C[C@H]3O2)n1 ZINC001164964350 722041324 /nfs/dbraw/zinc/04/13/24/722041324.db2.gz UHEAGGSDIDXXBE-YESZJQIVSA-N 1 1 403.914 2.859 20 0 HFADMO C[N@@H+](Cc1ccc(N2C[C@H]3c4ccccc4N(S(C)(=O)=O)C[C@@H]3C2)nc1)C1CC1 ZINC001164976598 722090848 /nfs/dbraw/zinc/09/08/48/722090848.db2.gz SCQUPYYWUHDCEZ-FXAWDEMLSA-N 1 1 412.559 2.675 20 0 HFADMO FC(F)(c1ccnc(Cl)n1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983376 722098588 /nfs/dbraw/zinc/09/85/88/722098588.db2.gz PQSRZOJAVWISHN-JKSUJKDBSA-N 1 1 409.868 2.797 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ccc(N5CCCCC5)nn4)CC[C@@H]3C2)c1 ZINC001164984057 722099647 /nfs/dbraw/zinc/09/96/47/722099647.db2.gz ROUQWTURJZFLBU-NHCUHLMSSA-N 1 1 408.550 2.589 20 0 HFADMO CCOC(=O)c1cc(C)cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983446 722105765 /nfs/dbraw/zinc/10/57/65/722105765.db2.gz QDUDMQVIWJMTKT-TZIWHRDSSA-N 1 1 410.518 2.689 20 0 HFADMO CC1(C)OC(=O)c2c1ccnc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981153 722111537 /nfs/dbraw/zinc/11/15/37/722111537.db2.gz TXIJHIOKGMIJKR-MJGOQNOKSA-N 1 1 408.502 2.609 20 0 HFADMO CC(C)(C)C(=O)Nc1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164975070 722117670 /nfs/dbraw/zinc/11/76/70/722117670.db2.gz JFYQNOILPPWTML-OALUTQOASA-N 1 1 424.549 2.584 20 0 HFADMO Clc1nnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c2ncccc12 ZINC001164971949 722119073 /nfs/dbraw/zinc/11/90/73/722119073.db2.gz DZCHGSGLLWVXML-WMZOPIPTSA-N 1 1 410.909 2.801 20 0 HFADMO Nc1cc(Cl)ncc1C(F)(F)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971953 722120519 /nfs/dbraw/zinc/12/05/19/722120519.db2.gz DZMIANSKPSUCMB-MAUKXSAKSA-N 1 1 423.895 2.984 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ccnc(-c5cccnc5)n4)CC[C@H]3C2)c1 ZINC001164978149 722125582 /nfs/dbraw/zinc/12/55/82/722125582.db2.gz NPNZLRSQECQLDM-LEWJYISDSA-N 1 1 402.502 2.661 20 0 HFADMO Fc1ncccc1-c1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984236 722131595 /nfs/dbraw/zinc/13/15/95/722131595.db2.gz WPWHUGYTEOYFPR-NQIIRXRSSA-N 1 1 420.492 2.800 20 0 HFADMO CCOCc1cnc(Cl)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973378 722135510 /nfs/dbraw/zinc/13/55/10/722135510.db2.gz BZEVKRZKEWKBKA-MJGOQNOKSA-N 1 1 417.941 2.789 20 0 HFADMO Nc1cc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cnc1Cl ZINC001164977086 722137293 /nfs/dbraw/zinc/13/72/93/722137293.db2.gz IRGFRKYUHYXBRT-YJBOKZPZSA-N 1 1 423.895 2.984 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4cc(N5CCCCC5)ncn4)CC[C@@H]3C2)c1 ZINC001164983856 722139650 /nfs/dbraw/zinc/13/96/50/722139650.db2.gz VWLFFBHOFCWKLX-NHCUHLMSSA-N 1 1 408.550 2.589 20 0 HFADMO c1cc2c(nc(C3CC3)nc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)[nH]1 ZINC001164973054 722153787 /nfs/dbraw/zinc/15/37/87/722153787.db2.gz KNYRYKHKZFGPDU-ICSRJNTNSA-N 1 1 404.518 2.958 20 0 HFADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000792995936 1078044100 /nfs/dbraw/zinc/04/41/00/1078044100.db2.gz CTFKKUPSJNXVBE-QFUCXCTJSA-N 1 1 414.550 2.817 20 0 HFADMO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1Br ZINC000793012527 1078048276 /nfs/dbraw/zinc/04/82/76/1078048276.db2.gz YLAWLCMFEJNEBT-ZFWWWQNUSA-N 1 1 421.339 2.566 20 0 HFADMO CC(C)(C)OC(=O)NCCC[N@H+](Cc1coc(S(N)(=O)=O)c1)CC1CCCC1 ZINC001170139561 1078052192 /nfs/dbraw/zinc/05/21/92/1078052192.db2.gz JSERQIWMQDJTHQ-UHFFFAOYSA-N 1 1 415.556 2.834 20 0 HFADMO O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)C(F)(F)C1CCOCC1 ZINC000790548269 1078053752 /nfs/dbraw/zinc/05/37/52/1078053752.db2.gz NNFMYDCTYCIAHO-UHFFFAOYSA-N 1 1 407.461 2.974 20 0 HFADMO O=S(=O)(NCC[NH2+]Cc1cnn(Cc2ccccc2)c1Cl)c1cccs1 ZINC000790566038 1078057332 /nfs/dbraw/zinc/05/73/32/1078057332.db2.gz NMOSJBMGDOLZPT-UHFFFAOYSA-N 1 1 410.952 2.714 20 0 HFADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)c3cc(C4CC4)cnc3Cl)cc2)CC1 ZINC000793064346 1078060422 /nfs/dbraw/zinc/06/04/22/1078060422.db2.gz CMSHKBFFPLGLFH-UHFFFAOYSA-N 1 1 412.921 2.930 20 0 HFADMO COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000790584514 1078062046 /nfs/dbraw/zinc/06/20/46/1078062046.db2.gz SLIQIWVRWKTBNA-MOPGFXCFSA-N 1 1 405.539 2.555 20 0 HFADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1csc(CCNC(=O)OC(C)(C)C)n1 ZINC000793121224 1078070469 /nfs/dbraw/zinc/07/04/69/1078070469.db2.gz QCDQMCQPGFDWEP-ZDUSSCGKSA-N 1 1 407.540 2.781 20 0 HFADMO Cc1cc(N2CCC[C@H](OC(=O)[C@H]3CCS(=O)(=O)c4ccccc43)C2)nc(C)[nH+]1 ZINC000793146614 1078090064 /nfs/dbraw/zinc/09/00/64/1078090064.db2.gz IMUOFKSFSLSYHS-WMZOPIPTSA-N 1 1 415.515 2.567 20 0 HFADMO O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790641708 1078090225 /nfs/dbraw/zinc/09/02/25/1078090225.db2.gz ADNOHFSTNGYDPP-HKUYNNGSSA-N 1 1 418.419 2.984 20 0 HFADMO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)c1nnnn1C1CC1 ZINC000790716472 1078105700 /nfs/dbraw/zinc/10/57/00/1078105700.db2.gz CSZVEIUGKWRLLS-AWEZNQCLSA-N 1 1 403.918 2.640 20 0 HFADMO C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1nnnn1C1CC1 ZINC000790716472 1078105704 /nfs/dbraw/zinc/10/57/04/1078105704.db2.gz CSZVEIUGKWRLLS-AWEZNQCLSA-N 1 1 403.918 2.640 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC000790738957 1078120605 /nfs/dbraw/zinc/12/06/05/1078120605.db2.gz MLLAPAHMQJASSF-ZWKOTPCHSA-N 1 1 413.522 2.691 20 0 HFADMO CCOC(=O)c1cn(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1C(F)(F)F ZINC000772831231 1078137770 /nfs/dbraw/zinc/13/77/70/1078137770.db2.gz ZPWDVMVTRTZBLZ-CJNGLKHVSA-N 1 1 400.445 2.985 20 0 HFADMO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cnc(Br)c(Cl)c1 ZINC000790850354 1078148319 /nfs/dbraw/zinc/14/83/19/1078148319.db2.gz JXGIHZJYVZHOOJ-KBPBESRZSA-N 1 1 402.720 2.871 20 0 HFADMO O=C(NCC1CC[NH+](CN2CC[C@H](CCc3ccccc3)C2=O)CC1)C(F)(F)F ZINC000793515436 1078197348 /nfs/dbraw/zinc/19/73/48/1078197348.db2.gz JLUGCRPIACXRBW-SFHVURJKSA-N 1 1 411.468 2.816 20 0 HFADMO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000793503808 1078204669 /nfs/dbraw/zinc/20/46/69/1078204669.db2.gz GOEBVARHMKVTBX-VWNXMTODSA-N 1 1 405.542 2.908 20 0 HFADMO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000793503808 1078204671 /nfs/dbraw/zinc/20/46/71/1078204671.db2.gz GOEBVARHMKVTBX-VWNXMTODSA-N 1 1 405.542 2.908 20 0 HFADMO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC001170434346 1078212703 /nfs/dbraw/zinc/21/27/03/1078212703.db2.gz HYEYVECJEZQQTR-PBHICJAKSA-N 1 1 404.461 2.922 20 0 HFADMO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC001170434346 1078212706 /nfs/dbraw/zinc/21/27/06/1078212706.db2.gz HYEYVECJEZQQTR-PBHICJAKSA-N 1 1 404.461 2.922 20 0 HFADMO Cc1cccc(NCCNC(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)[nH+]1 ZINC000793576541 1078213222 /nfs/dbraw/zinc/21/32/22/1078213222.db2.gz KVMLYZQZSZXJCG-UHFFFAOYSA-N 1 1 405.524 2.756 20 0 HFADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(COC)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000793587143 1078215728 /nfs/dbraw/zinc/21/57/28/1078215728.db2.gz WOQQTZNPLPKKQA-SFHVURJKSA-N 1 1 411.587 2.840 20 0 HFADMO COC(=O)c1ccc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)c(Br)c1 ZINC000793586801 1078215742 /nfs/dbraw/zinc/21/57/42/1078215742.db2.gz DVPGHKAFMNIQAN-KRWDZBQOSA-N 1 1 422.323 2.915 20 0 HFADMO CC[C@@H](C)CC[C@@H](O)CC(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000793618058 1078229106 /nfs/dbraw/zinc/22/91/06/1078229106.db2.gz JEKZUWULUIQOSH-WIYYLYMNSA-N 1 1 403.567 2.909 20 0 HFADMO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)N1CCC(c2cnc[nH]2)CC1 ZINC000793622584 1078230562 /nfs/dbraw/zinc/23/05/62/1078230562.db2.gz VZMWKYQHMXYONF-KDURUIRLSA-N 1 1 419.485 2.708 20 0 HFADMO C[C@@H](COc1ccccc1)NC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000793681944 1078252866 /nfs/dbraw/zinc/25/28/66/1078252866.db2.gz NWOXPSNSHPGKRX-PMACEKPBSA-N 1 1 409.530 2.693 20 0 HFADMO CCN(C(=O)C(=O)N[C@@H](C)COc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793684928 1078255390 /nfs/dbraw/zinc/25/53/90/1078255390.db2.gz FPOPVRLBPLNPGJ-FPOVZHCZSA-N 1 1 409.530 2.693 20 0 HFADMO C[C@H](O)c1ccc(CNC(=O)C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1 ZINC000793657248 1078259307 /nfs/dbraw/zinc/25/93/07/1078259307.db2.gz NJGIJLQLRAJWEI-FQEVSTJZSA-N 1 1 423.557 2.523 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C(=O)C4(CCC4)[C@@H]3[C@@H]3CCCO3)CC[C@@H]21 ZINC000793711730 1078260781 /nfs/dbraw/zinc/26/07/81/1078260781.db2.gz XKNQDHSXCUBKLW-XWSJACJDSA-N 1 1 419.566 2.835 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C(=O)C4(CCC4)[C@@H]3[C@@H]3CCCO3)CC[C@@H]21 ZINC000793711730 1078260784 /nfs/dbraw/zinc/26/07/84/1078260784.db2.gz XKNQDHSXCUBKLW-XWSJACJDSA-N 1 1 419.566 2.835 20 0 HFADMO COC(=O)[C@@H]1CC(=O)N(CN2CC[N@@H+](CCCc3ccccc3)C[C@@H]2CC(C)C)C1 ZINC000793726646 1078268295 /nfs/dbraw/zinc/26/82/95/1078268295.db2.gz YFPRVGXKRIKAIW-YADHBBJMSA-N 1 1 415.578 2.631 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H](C(=O)N2CCCCO2)C[C@H]2OCC[C@H]21 ZINC001170436552 1078267852 /nfs/dbraw/zinc/26/78/52/1078267852.db2.gz IYAXIDVDPUCTSQ-QEUVDIPISA-N 1 1 416.518 2.770 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793692776 1078270045 /nfs/dbraw/zinc/27/00/45/1078270045.db2.gz DTKSTBUAOKSVMI-SBHAEUEKSA-N 1 1 409.530 2.597 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000793692495 1078270075 /nfs/dbraw/zinc/27/00/75/1078270075.db2.gz ZNTBAFYKAGJGDF-UWVAXJGDSA-N 1 1 415.559 2.831 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C[C@@H](c4ccccn4)CC3=O)CC[C@@H]21 ZINC000793706107 1078276641 /nfs/dbraw/zinc/27/66/41/1078276641.db2.gz MQYJCJXHDHYKHL-AOIWGVFYSA-N 1 1 400.523 2.686 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C[C@@H](c4ccccn4)CC3=O)CC[C@@H]21 ZINC000793706107 1078276647 /nfs/dbraw/zinc/27/66/47/1078276647.db2.gz MQYJCJXHDHYKHL-AOIWGVFYSA-N 1 1 400.523 2.686 20 0 HFADMO C[N@H+]1CCCC12CCN(C(=O)c1csc(CCNC(=O)OC(C)(C)C)n1)CC2 ZINC000793763830 1078281721 /nfs/dbraw/zinc/28/17/21/1078281721.db2.gz SNBSDYLPKRVKQF-UHFFFAOYSA-N 1 1 408.568 2.911 20 0 HFADMO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793767237 1078282825 /nfs/dbraw/zinc/28/28/25/1078282825.db2.gz FHTMOGRGFMZNBC-IRLDBZIGSA-N 1 1 423.557 2.859 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000793807611 1078306225 /nfs/dbraw/zinc/30/62/25/1078306225.db2.gz IKAYCRRJTVYWEA-FQEVSTJZSA-N 1 1 418.501 2.731 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC[C@H]1c1ccccc1C ZINC000793803501 1078303292 /nfs/dbraw/zinc/30/32/92/1078303292.db2.gz CMTOIECKSFLAKC-FQEVSTJZSA-N 1 1 403.486 2.864 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)Cc1cc2ccccc2o1 ZINC000793804261 1078303824 /nfs/dbraw/zinc/30/38/24/1078303824.db2.gz HKDPZMMSZFYXCG-UHFFFAOYSA-N 1 1 403.442 2.597 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000793804002 1078303868 /nfs/dbraw/zinc/30/38/68/1078303868.db2.gz DBRZVAYZNXVMTI-FQEVSTJZSA-N 1 1 421.476 2.565 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H]1CC(C)(C)c2ccccc21 ZINC000793804542 1078303881 /nfs/dbraw/zinc/30/38/81/1078303881.db2.gz DPZZHLKRHYGNAV-IBGZPJMESA-N 1 1 403.486 2.731 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000793803874 1078304047 /nfs/dbraw/zinc/30/40/47/1078304047.db2.gz BGHQFFACXIKWLN-MGPUTAFESA-N 1 1 421.476 2.941 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000793806080 1078304983 /nfs/dbraw/zinc/30/49/83/1078304983.db2.gz KCRPUKDZFPQYLX-QHCPKHFHSA-N 1 1 421.476 2.521 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)Cc1ccc(Cl)c(F)c1 ZINC000793805617 1078305295 /nfs/dbraw/zinc/30/52/95/1078305295.db2.gz IARGGUCTBJGVCF-UHFFFAOYSA-N 1 1 415.856 2.643 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000793806702 1078305967 /nfs/dbraw/zinc/30/59/67/1078305967.db2.gz VCTUJNBRYCDMTI-ZBFHGGJFSA-N 1 1 423.439 2.677 20 0 HFADMO C[C@@]1(CNC(=O)C(=O)NCCc2ccc(F)cc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000793821700 1078317658 /nfs/dbraw/zinc/31/76/58/1078317658.db2.gz FZOFFUOBRVYUNI-QHCPKHFHSA-N 1 1 415.484 2.652 20 0 HFADMO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000793778693 1078309494 /nfs/dbraw/zinc/30/94/94/1078309494.db2.gz JNUOKNIUEMDIHI-IFMALSPDSA-N 1 1 423.557 2.559 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000793780911 1078310268 /nfs/dbraw/zinc/31/02/68/1078310268.db2.gz PCFHMALELYYTHV-QTEQDKRBSA-N 1 1 423.557 2.905 20 0 HFADMO CN(CCc1ccccc1F)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000793845388 1078313009 /nfs/dbraw/zinc/31/30/09/1078313009.db2.gz ZRIBTYGSADWMEM-FQEVSTJZSA-N 1 1 411.521 2.855 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC[C@@H]1Cc1ccccc1C ZINC000793810523 1078313881 /nfs/dbraw/zinc/31/38/81/1078313881.db2.gz PWTIUAMNWSOKSA-OAQYLSRUSA-N 1 1 417.513 2.734 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)[C@@H](C)c1cc(F)ccc1F ZINC000793810238 1078314059 /nfs/dbraw/zinc/31/40/59/1078314059.db2.gz SKGWXMKAICCUDP-ZDUSSCGKSA-N 1 1 413.428 2.690 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H](CC1CC1)c1ccccc1 ZINC000793809612 1078314168 /nfs/dbraw/zinc/31/41/68/1078314168.db2.gz ZPKZQDZSLGPTSE-HXUWFJFHSA-N 1 1 403.486 2.850 20 0 HFADMO CC[N@@H+](CCNC(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1)C1CC1 ZINC000793878904 1078322078 /nfs/dbraw/zinc/32/20/78/1078322078.db2.gz RRVJJYDKKCIZBF-UHFFFAOYSA-N 1 1 414.594 2.670 20 0 HFADMO COCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(n2c[nH+]cc2C)CC1 ZINC000793848705 1078323057 /nfs/dbraw/zinc/32/30/57/1078323057.db2.gz RBDXSDSRJAQARH-FQEVSTJZSA-N 1 1 414.506 2.687 20 0 HFADMO Cc1ccc([C@H](C)NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)s1 ZINC000793855098 1078324549 /nfs/dbraw/zinc/32/45/49/1078324549.db2.gz XRZJVGCBIDMMBH-PKOBYXMFSA-N 1 1 415.559 2.641 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@H](C)C1 ZINC000793872288 1078329679 /nfs/dbraw/zinc/32/96/79/1078329679.db2.gz KIBNFIYQXVOEAM-BJLQDIEVSA-N 1 1 419.566 2.946 20 0 HFADMO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCCc3cn(C(C)C)nc32)c1 ZINC000793868281 1078328235 /nfs/dbraw/zinc/32/82/35/1078328235.db2.gz MPKLZJHDZIHABY-HXUWFJFHSA-N 1 1 411.550 2.726 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)C[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000793873906 1078330724 /nfs/dbraw/zinc/33/07/24/1078330724.db2.gz DJEQQBLRRGXYCR-BZSNNMDCSA-N 1 1 411.587 2.573 20 0 HFADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000793876621 1078331525 /nfs/dbraw/zinc/33/15/25/1078331525.db2.gz SRAKDWRUMKQUDW-GOSISDBHSA-N 1 1 416.610 2.916 20 0 HFADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000793905013 1078334120 /nfs/dbraw/zinc/33/41/20/1078334120.db2.gz ZCQXTOYEDCTNGF-LVCYWYKZSA-N 1 1 401.551 2.507 20 0 HFADMO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)CCC2 ZINC000793913729 1078336883 /nfs/dbraw/zinc/33/68/83/1078336883.db2.gz IWWNZYHQWGDPNN-ZIFCJYIRSA-N 1 1 417.598 2.830 20 0 HFADMO CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000793899632 1078343703 /nfs/dbraw/zinc/34/37/03/1078343703.db2.gz BGYCTIQLMWZGDP-WFXMLNOXSA-N 1 1 421.557 2.580 20 0 HFADMO C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NC2CCN(c3[nH+]ccn3C)CC2)C1 ZINC000793950699 1078344847 /nfs/dbraw/zinc/34/48/47/1078344847.db2.gz BJMKYRWRXPMYSY-DOTOQJQBSA-N 1 1 405.543 2.541 20 0 HFADMO CC1(C)CCC[N@@H+](CCNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)C1 ZINC000793973840 1078350405 /nfs/dbraw/zinc/35/04/05/1078350405.db2.gz XQGZLXHXWBEBTE-WOJBJXKFSA-N 1 1 424.545 2.817 20 0 HFADMO CC(C)c1ccc(N2CC[C@@H](C(=O)NC3CCN(c4[nH+]ccn4C)CC3)C2=O)cc1 ZINC000793946315 1078354798 /nfs/dbraw/zinc/35/47/98/1078354798.db2.gz HWGFGVPYKZWFFC-FQEVSTJZSA-N 1 1 409.534 2.682 20 0 HFADMO COc1ccc(Cl)cc1C(=O)OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000793982361 1078355963 /nfs/dbraw/zinc/35/59/63/1078355963.db2.gz WSDUMZMLBLSRGZ-UHFFFAOYSA-N 1 1 424.925 2.657 20 0 HFADMO C[N@@H+](CC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)[C@H]1CCSC1 ZINC000794047641 1078365500 /nfs/dbraw/zinc/36/55/00/1078365500.db2.gz KSCCIMUAQBYYSA-MOPGFXCFSA-N 1 1 405.564 2.589 20 0 HFADMO CC1=C(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@H](C)n2ncnc2N1C ZINC000794146836 1078377867 /nfs/dbraw/zinc/37/78/67/1078377867.db2.gz HLAGMWIAIBRKLM-ICSRJNTNSA-N 1 1 408.550 2.981 20 0 HFADMO Cn1ccnc1[C@@](O)(CC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)C(F)(F)F ZINC000794220550 1078385756 /nfs/dbraw/zinc/38/57/56/1078385756.db2.gz GKGVZBRBGYKBGH-INIZCTEOSA-N 1 1 404.820 2.914 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H]2COC[C@]2(CNC(=O)CC(C)C)C1 ZINC001170444963 1078398057 /nfs/dbraw/zinc/39/80/57/1078398057.db2.gz UVUUMQYZZPJLIB-PWHSHALESA-N 1 1 402.535 2.847 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(CCO)Cc3cccnc3Cl)cc2)C[C@H](C)O1 ZINC000794320422 1078412691 /nfs/dbraw/zinc/41/26/91/1078412691.db2.gz HMGMMWDRNDUBSA-CALCHBBNSA-N 1 1 417.937 2.979 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(CCO)Cc3cccnc3Cl)cc2)C[C@H](C)O1 ZINC000794320422 1078412695 /nfs/dbraw/zinc/41/26/95/1078412695.db2.gz HMGMMWDRNDUBSA-CALCHBBNSA-N 1 1 417.937 2.979 20 0 HFADMO CC[N@H+]1CCN(C(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)[C@@H](C)C1 ZINC000804379802 1078455567 /nfs/dbraw/zinc/45/55/67/1078455567.db2.gz BICOKSOQHNPPDF-UYPHOHSBSA-N 1 1 408.531 2.952 20 0 HFADMO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000747204150 1078473906 /nfs/dbraw/zinc/47/39/06/1078473906.db2.gz LUIAACRAQJZMMM-QZTJIDSGSA-N 1 1 415.563 2.766 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000804420301 1078469338 /nfs/dbraw/zinc/46/93/38/1078469338.db2.gz GSBDNXGQVNXNSK-DZGCQCFKSA-N 1 1 401.429 2.753 20 0 HFADMO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000804429008 1078474469 /nfs/dbraw/zinc/47/44/69/1078474469.db2.gz ATXCNDLAOZDHOA-WMLDXEAASA-N 1 1 423.989 2.763 20 0 HFADMO CCC(=O)c1ccc(N2CCC(Oc3cc[nH+]cc3C)CC2)c(S(N)(=O)=O)c1 ZINC000804669683 1078502148 /nfs/dbraw/zinc/50/21/48/1078502148.db2.gz VWANJNQASFIPNA-UHFFFAOYSA-N 1 1 403.504 2.678 20 0 HFADMO CN1CC(=O)Nc2cc(C(=O)NC[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)cnc21 ZINC001129486843 1078507378 /nfs/dbraw/zinc/50/73/78/1078507378.db2.gz PRSOTCXNYWOHPR-SFHVURJKSA-N 1 1 407.518 2.502 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)Cc1ccc(OC)c(OC)c1 ZINC001129812698 1078510540 /nfs/dbraw/zinc/51/05/40/1078510540.db2.gz DGIKXOVJDMVDCR-NFBKMPQASA-N 1 1 412.530 2.900 20 0 HFADMO Cc1nc(C(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c2ccccn12 ZINC000804446791 1078513242 /nfs/dbraw/zinc/51/32/42/1078513242.db2.gz NUINJLFCUYBYBS-OAQYLSRUSA-N 1 1 403.530 2.675 20 0 HFADMO Cc1c(C(=O)N[C@@H](C)[C@H](O)c2ccc(C)cc2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000804475783 1078518965 /nfs/dbraw/zinc/51/89/65/1078518965.db2.gz HUPCYIOJUIAXOY-HJPURHCSSA-N 1 1 419.529 2.724 20 0 HFADMO C[C@@H]1CN(C(=O)CCN2c3ccccc3O[C@@H](C)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC001129828186 1078522124 /nfs/dbraw/zinc/52/21/24/1078522124.db2.gz GTYBPYRSXHYGIU-MOPGFXCFSA-N 1 1 407.514 2.924 20 0 HFADMO C[C@@H]1CN(C(=O)CCN2c3ccccc3O[C@@H](C)C2=O)CC[N@H+]1Cc1ccccc1 ZINC001129828186 1078522131 /nfs/dbraw/zinc/52/21/31/1078522131.db2.gz GTYBPYRSXHYGIU-MOPGFXCFSA-N 1 1 407.514 2.924 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001129828120 1078522220 /nfs/dbraw/zinc/52/22/20/1078522220.db2.gz FNYITAPDWQUNIR-SBUREZEXSA-N 1 1 423.513 2.930 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001129828120 1078522228 /nfs/dbraw/zinc/52/22/28/1078522228.db2.gz FNYITAPDWQUNIR-SBUREZEXSA-N 1 1 423.513 2.930 20 0 HFADMO Cc1ccccc1[C@@H](O)C1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804509703 1078544955 /nfs/dbraw/zinc/54/49/55/1078544955.db2.gz BZWJRWFQOPRJAV-ZCYQVOJMSA-N 1 1 408.542 2.904 20 0 HFADMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001129904182 1078576502 /nfs/dbraw/zinc/57/65/02/1078576502.db2.gz FIAQMARHYYDUCP-FQEVSTJZSA-N 1 1 418.582 2.566 20 0 HFADMO CCC(=O)c1ccc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(S(N)(=O)=O)c1 ZINC000804527987 1078566496 /nfs/dbraw/zinc/56/64/96/1078566496.db2.gz WIMOTESAUOFOIY-SFHVURJKSA-N 1 1 415.559 2.885 20 0 HFADMO Brc1cnc(Br)c(N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000804530793 1078568755 /nfs/dbraw/zinc/56/87/55/1078568755.db2.gz NFEVLSZSMAYANG-UHFFFAOYSA-N 1 1 405.134 2.908 20 0 HFADMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001129599174 1078573347 /nfs/dbraw/zinc/57/33/47/1078573347.db2.gz LVDBGBHKHXOSSN-KSZLIROESA-N 1 1 411.468 2.720 20 0 HFADMO CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000804564442 1078598377 /nfs/dbraw/zinc/59/83/77/1078598377.db2.gz UEHDPUSDNCLPGO-QXULXFAOSA-N 1 1 401.498 2.962 20 0 HFADMO COc1ccc([C@@H](CC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)NC(C)=O)cc1 ZINC001129933596 1078598529 /nfs/dbraw/zinc/59/85/29/1078598529.db2.gz XAGKJUWWKICLHC-JRFVFWCSSA-N 1 1 421.541 2.995 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000804778713 1078603549 /nfs/dbraw/zinc/60/35/49/1078603549.db2.gz BOUKHSFXFGCVBO-INIZCTEOSA-N 1 1 415.987 2.975 20 0 HFADMO COCC(C)(C)[NH+]1CCN(C(=O)c2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC001129925526 1078617317 /nfs/dbraw/zinc/61/73/17/1078617317.db2.gz HAQLCAJIDDZMDQ-UHFFFAOYSA-N 1 1 421.339 2.818 20 0 HFADMO O=C(CCOc1ccc(Cl)c(Cl)c1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001129670101 1078628903 /nfs/dbraw/zinc/62/89/03/1078628903.db2.gz UDRFNEXLPMMEIC-UHFFFAOYSA-N 1 1 417.333 2.760 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(=O)n(C)c2ccccc12 ZINC001129971185 1078665248 /nfs/dbraw/zinc/66/52/48/1078665248.db2.gz XHDBPVPILVRKTI-AUSIDOKSSA-N 1 1 419.525 2.805 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000804828817 1078667756 /nfs/dbraw/zinc/66/77/56/1078667756.db2.gz AXDOWWALBGSGOO-QFIPXVFZSA-N 1 1 422.573 2.882 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000804831014 1078672361 /nfs/dbraw/zinc/67/23/61/1078672361.db2.gz CKLWIXHSQNCFDW-UGKGYDQZSA-N 1 1 422.573 2.786 20 0 HFADMO CCN(c1ccnc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)n1)C1CCCC1 ZINC001129736240 1078682773 /nfs/dbraw/zinc/68/27/73/1078682773.db2.gz YJYSUZSGIONOIO-RTBURBONSA-N 1 1 411.554 2.653 20 0 HFADMO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccc(Cl)nc2)CC[N@H+]1Cc1ccccc1 ZINC000804643013 1078696020 /nfs/dbraw/zinc/69/60/20/1078696020.db2.gz CEVSZZWYQVDYDC-VQIMIIECSA-N 1 1 414.937 2.863 20 0 HFADMO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCc2ccc(Cl)nc2)CC[N@H+]1Cc1ccccc1 ZINC000804643902 1078698197 /nfs/dbraw/zinc/69/81/97/1078698197.db2.gz SPRNFSJDDCTOJL-APWZRJJASA-N 1 1 414.937 2.563 20 0 HFADMO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCc3c(F)cccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000804644048 1078698372 /nfs/dbraw/zinc/69/83/72/1078698372.db2.gz AGCJTHDABCDXDQ-PXNSSMCTSA-N 1 1 409.505 2.880 20 0 HFADMO CN(C)c1[nH+]cnc2c1cc(C(=O)NCc1ccc(Br)cc1F)n2C ZINC000747223952 1078729804 /nfs/dbraw/zinc/72/98/04/1078729804.db2.gz MBZHSLJUQPTYNL-UHFFFAOYSA-N 1 1 406.259 2.866 20 0 HFADMO CC[C@@](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)(C(=O)OC)c1ccccc1 ZINC001129793179 1078733396 /nfs/dbraw/zinc/73/33/96/1078733396.db2.gz RFORLYFBUKSJRH-URXFXBBRSA-N 1 1 410.514 2.525 20 0 HFADMO CC[C@@](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)(C(=O)OC)c1ccccc1 ZINC001129793179 1078733404 /nfs/dbraw/zinc/73/34/04/1078733404.db2.gz RFORLYFBUKSJRH-URXFXBBRSA-N 1 1 410.514 2.525 20 0 HFADMO C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000804900964 1078757112 /nfs/dbraw/zinc/75/71/12/1078757112.db2.gz AXGYCGYNZCQLQX-JKIFEVAISA-N 1 1 403.445 2.537 20 0 HFADMO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000804927570 1078783928 /nfs/dbraw/zinc/78/39/28/1078783928.db2.gz HEBWIRGVMSYWNG-SFTDATJTSA-N 1 1 417.550 2.793 20 0 HFADMO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000804927570 1078783930 /nfs/dbraw/zinc/78/39/30/1078783930.db2.gz HEBWIRGVMSYWNG-SFTDATJTSA-N 1 1 417.550 2.793 20 0 HFADMO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000804928429 1078785014 /nfs/dbraw/zinc/78/50/14/1078785014.db2.gz OLUORXZNJSLEQA-OAQYLSRUSA-N 1 1 416.566 2.563 20 0 HFADMO CC[NH+]1CCN(CCCCNC(=O)N2CCC([C@H](O)c3ccccc3C)CC2)CC1 ZINC000804955361 1078797105 /nfs/dbraw/zinc/79/71/05/1078797105.db2.gz MSNGQUDLVWJDDV-QHCPKHFHSA-N 1 1 416.610 2.868 20 0 HFADMO CCc1ccc([C@H](O)CNC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000804957293 1078797853 /nfs/dbraw/zinc/79/78/53/1078797853.db2.gz GTEZBQRDUQFZHL-JOCHJYFZSA-N 1 1 414.525 2.543 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000804976618 1078811842 /nfs/dbraw/zinc/81/18/42/1078811842.db2.gz HTTQBLKDZAZAGE-QOKNQOGYSA-N 1 1 413.440 2.959 20 0 HFADMO CC(C)N(C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001130057622 1078880893 /nfs/dbraw/zinc/88/08/93/1078880893.db2.gz JDOBFPHGNOLHMD-ZWKOTPCHSA-N 1 1 411.468 2.909 20 0 HFADMO CC(C)N(C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001130057619 1078880985 /nfs/dbraw/zinc/88/09/85/1078880985.db2.gz JDOBFPHGNOLHMD-MSOLQXFVSA-N 1 1 411.468 2.909 20 0 HFADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000805110636 1078895568 /nfs/dbraw/zinc/89/55/68/1078895568.db2.gz BYSQDXSWRGLIHL-JONQDZQNSA-N 1 1 406.493 2.738 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(C(=O)N[C@H]1CC[N@@H+](CC3CC3)C1)C2 ZINC000805136781 1078933601 /nfs/dbraw/zinc/93/36/01/1078933601.db2.gz JCOCNIDXRVUJIA-AVRDEDQJSA-N 1 1 406.571 2.903 20 0 HFADMO COC[C@@H](C)n1c(SCC(=O)N(C)C[C@H]2CCC[N@H+]2C)nnc1-c1ccccc1 ZINC001130097848 1078947933 /nfs/dbraw/zinc/94/79/33/1078947933.db2.gz GWUNIOXBKJSMFE-SJLPKXTDSA-N 1 1 417.579 2.797 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)NCC2(C(F)(F)F)CC2)CC1 ZINC000805180403 1078965332 /nfs/dbraw/zinc/96/53/32/1078965332.db2.gz JWBKTIZTMXESET-UHFFFAOYSA-N 1 1 408.465 2.571 20 0 HFADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000805183644 1078965637 /nfs/dbraw/zinc/96/56/37/1078965637.db2.gz FQRNPULTMHPOTC-GUDVDZBRSA-N 1 1 411.587 2.887 20 0 HFADMO C[C@](O)(CCNC(=O)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000805198913 1078971711 /nfs/dbraw/zinc/97/17/11/1078971711.db2.gz VHWMULYDJLLNGH-RPBOFIJWSA-N 1 1 423.557 2.571 20 0 HFADMO COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000747237952 1078997711 /nfs/dbraw/zinc/99/77/11/1078997711.db2.gz BGZIQRLWOSVKKW-QJWNTBNXSA-N 1 1 414.527 2.598 20 0 HFADMO COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000747237952 1078997716 /nfs/dbraw/zinc/99/77/16/1078997716.db2.gz BGZIQRLWOSVKKW-QJWNTBNXSA-N 1 1 414.527 2.598 20 0 HFADMO CC(C)C[C@]1(C)CCC[N@H+]1CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC001170479650 1079017100 /nfs/dbraw/zinc/01/71/00/1079017100.db2.gz KMLPMVFHDRLCCC-XZOQPEGZSA-N 1 1 414.550 2.862 20 0 HFADMO CC(C)C[C@]1(C)CCC[N@H+]1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001170479615 1079017135 /nfs/dbraw/zinc/01/71/35/1079017135.db2.gz KHQLYUVNDLHIAX-NRFANRHFSA-N 1 1 423.579 2.547 20 0 HFADMO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000805335893 1079024320 /nfs/dbraw/zinc/02/43/20/1079024320.db2.gz VVLGODKHGNJIRU-APWZRJJASA-N 1 1 402.516 2.952 20 0 HFADMO C[C@H]1CCN(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805394506 1079037822 /nfs/dbraw/zinc/03/78/22/1079037822.db2.gz QMPJGOMZBGNRRX-XQLPTFJDSA-N 1 1 406.493 2.594 20 0 HFADMO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000805434770 1079063031 /nfs/dbraw/zinc/06/30/31/1079063031.db2.gz ZLLDIVZIZRLULO-MAUKXSAKSA-N 1 1 405.461 2.921 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)ccc1F ZINC000747243400 1079088904 /nfs/dbraw/zinc/08/89/04/1079088904.db2.gz RXPNQNUTEXHECG-UHFFFAOYSA-N 1 1 420.506 2.817 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)ccc1F ZINC000747243400 1079088909 /nfs/dbraw/zinc/08/89/09/1079088909.db2.gz RXPNQNUTEXHECG-UHFFFAOYSA-N 1 1 420.506 2.817 20 0 HFADMO NC(=O)c1ccc(C(=O)O[C@@H]2CCC[C@H]2[NH+]2CCN(c3cccc(Cl)c3)CC2)o1 ZINC000747245006 1079090002 /nfs/dbraw/zinc/09/00/02/1079090002.db2.gz WKWDEVUWAOVXLB-IAGOWNOFSA-N 1 1 417.893 2.932 20 0 HFADMO COc1ccc(C(=O)N(C(C)C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1-n1cnnn1 ZINC001130258436 1079146563 /nfs/dbraw/zinc/14/65/63/1079146563.db2.gz XMLUWFZTBCBBLR-HXUWFJFHSA-N 1 1 420.517 2.796 20 0 HFADMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(/C=C\C(=O)OC)cc1)c1ccco1 ZINC000747253775 1079151907 /nfs/dbraw/zinc/15/19/07/1079151907.db2.gz NJQICKSHPRTMIZ-ADYSOMBNSA-N 1 1 406.504 2.827 20 0 HFADMO COc1ccc(-n2c(C)nnc2SCC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC001130301075 1079192167 /nfs/dbraw/zinc/19/21/67/1079192167.db2.gz GRKVOPXWNNUGBA-RBUKOAKNSA-N 1 1 415.563 2.810 20 0 HFADMO Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1S(=O)(=O)NC1CCCC1 ZINC001130301328 1079193323 /nfs/dbraw/zinc/19/33/23/1079193323.db2.gz LJRHLYYSZOIXQR-UXHICEINSA-N 1 1 419.591 2.963 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCOC2CCC2)C1 ZINC000805747840 1079229364 /nfs/dbraw/zinc/22/93/64/1079229364.db2.gz HVDDFTLPKBXBDB-IEBWSBKVSA-N 1 1 409.571 2.783 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)cc1 ZINC000747268339 1079256525 /nfs/dbraw/zinc/25/65/25/1079256525.db2.gz IHGYHVXSEIPSJE-LVMGUKCRSA-N 1 1 400.500 2.554 20 0 HFADMO C[C@H]1CC[N@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805788885 1079256660 /nfs/dbraw/zinc/25/66/60/1079256660.db2.gz PSTLBGNBQVOQPT-CUSZFKRNSA-N 1 1 411.468 2.926 20 0 HFADMO C[C@H]1CC[N@@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805788885 1079256666 /nfs/dbraw/zinc/25/66/66/1079256666.db2.gz PSTLBGNBQVOQPT-CUSZFKRNSA-N 1 1 411.468 2.926 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCc1ccc(S(N)(=O)=O)cc1)C2 ZINC000805792124 1079257573 /nfs/dbraw/zinc/25/75/73/1079257573.db2.gz CGSGKWNEOQVANP-NRFANRHFSA-N 1 1 423.579 2.600 20 0 HFADMO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)o1 ZINC000805764730 1079265122 /nfs/dbraw/zinc/26/51/22/1079265122.db2.gz DXUCDOXFNOJKJH-OAHLLOKOSA-N 1 1 415.556 2.799 20 0 HFADMO CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)o1 ZINC000805764730 1079265126 /nfs/dbraw/zinc/26/51/26/1079265126.db2.gz DXUCDOXFNOJKJH-OAHLLOKOSA-N 1 1 415.556 2.799 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000805762873 1079265131 /nfs/dbraw/zinc/26/51/31/1079265131.db2.gz NIPCLCCUFRIUDS-SFHVURJKSA-N 1 1 406.479 2.703 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000805762873 1079265138 /nfs/dbraw/zinc/26/51/38/1079265138.db2.gz NIPCLCCUFRIUDS-SFHVURJKSA-N 1 1 406.479 2.703 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000805762391 1079264054 /nfs/dbraw/zinc/26/40/54/1079264054.db2.gz IPKIIJLNMASSEF-KRWDZBQOSA-N 1 1 409.502 2.736 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000805762391 1079264056 /nfs/dbraw/zinc/26/40/56/1079264056.db2.gz IPKIIJLNMASSEF-KRWDZBQOSA-N 1 1 409.502 2.736 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccccc1 ZINC000805765887 1079268154 /nfs/dbraw/zinc/26/81/54/1079268154.db2.gz RINKGELQINOHBD-QGZVFWFLSA-N 1 1 411.568 2.734 20 0 HFADMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]3C)CC2)cc1C ZINC001130369982 1079269073 /nfs/dbraw/zinc/26/90/73/1079269073.db2.gz LOMRWUQUIMROML-QYZOEREBSA-N 1 1 421.607 2.644 20 0 HFADMO O=C(C[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000805810367 1079285201 /nfs/dbraw/zinc/28/52/01/1079285201.db2.gz BVWAFTGRULKBMX-SFHVURJKSA-N 1 1 420.513 2.822 20 0 HFADMO O=C(C[N@H+]1CC[C@H](C(=O)N2CCCC2)C1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000805810367 1079285207 /nfs/dbraw/zinc/28/52/07/1079285207.db2.gz BVWAFTGRULKBMX-SFHVURJKSA-N 1 1 420.513 2.822 20 0 HFADMO COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000747268158 1079295178 /nfs/dbraw/zinc/29/51/78/1079295178.db2.gz ARODJKWBWNLJBI-QKQONQEDSA-N 1 1 414.527 2.816 20 0 HFADMO Cc1cc(N2CCC[C@@H](OC(=O)c3cccc(CN4CCOCC4)c3)C2)nc(C)[nH+]1 ZINC000805878198 1079318861 /nfs/dbraw/zinc/31/88/61/1079318861.db2.gz FGWDYLXHHKWVRJ-OAQYLSRUSA-N 1 1 410.518 2.751 20 0 HFADMO CC1(C(=O)OCC2(CS(C)(=O)=O)CCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000805901985 1079327563 /nfs/dbraw/zinc/32/75/63/1079327563.db2.gz FEQDIEMJJOBKCN-UHFFFAOYSA-N 1 1 423.575 2.673 20 0 HFADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NS(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000747275641 1079329928 /nfs/dbraw/zinc/32/99/28/1079329928.db2.gz BEMILBQHHDNEQT-QMJOVRGKSA-N 1 1 403.523 2.927 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)OCCOc3ccccc3C(N)=O)cc2)C[C@H](C)O1 ZINC000805881436 1079334643 /nfs/dbraw/zinc/33/46/43/1079334643.db2.gz XNYMTVVBDBIQHC-CALCHBBNSA-N 1 1 412.486 2.631 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)OCCOc3ccccc3C(N)=O)cc2)C[C@H](C)O1 ZINC000805881436 1079334653 /nfs/dbraw/zinc/33/46/53/1079334653.db2.gz XNYMTVVBDBIQHC-CALCHBBNSA-N 1 1 412.486 2.631 20 0 HFADMO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000805940744 1079343119 /nfs/dbraw/zinc/34/31/19/1079343119.db2.gz BDHJGQFSNYXMKB-UGKGYDQZSA-N 1 1 411.546 2.514 20 0 HFADMO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000805940741 1079343270 /nfs/dbraw/zinc/34/32/70/1079343270.db2.gz BDHJGQFSNYXMKB-DENIHFKCSA-N 1 1 411.546 2.514 20 0 HFADMO CCc1ncc(Cl)c(C(=O)N[C@@]2(C(=O)OC)CCC[N@H+](Cc3ccccc3)C2)n1 ZINC001130444510 1079345659 /nfs/dbraw/zinc/34/56/59/1079345659.db2.gz DPLMCJOCJOPPEY-NRFANRHFSA-N 1 1 416.909 2.630 20 0 HFADMO CCc1ncc(Cl)c(C(=O)N[C@@]2(C(=O)OC)CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC001130444510 1079345666 /nfs/dbraw/zinc/34/56/66/1079345666.db2.gz DPLMCJOCJOPPEY-NRFANRHFSA-N 1 1 416.909 2.630 20 0 HFADMO COC(=O)c1ccc(F)c(S(=O)(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000747284011 1079355435 /nfs/dbraw/zinc/35/54/35/1079355435.db2.gz MGZCNQYMMHDBQV-INIZCTEOSA-N 1 1 414.886 2.847 20 0 HFADMO NC(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cn1 ZINC001626114875 1079390298 /nfs/dbraw/zinc/39/02/98/1079390298.db2.gz ANFSCSVLJZEBEQ-RBBKRZOGSA-N 1 1 418.472 2.718 20 0 HFADMO Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)C2=Cc3ccccc3OC2)CC1 ZINC000806058923 1079402571 /nfs/dbraw/zinc/40/25/71/1079402571.db2.gz VRXRWEMXWFBDNR-UHFFFAOYSA-N 1 1 406.482 2.658 20 0 HFADMO CCNC(=O)Oc1cccc(OC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC001130489316 1079413127 /nfs/dbraw/zinc/41/31/27/1079413127.db2.gz CLVQBIVUANMDNK-UXHICEINSA-N 1 1 414.506 2.948 20 0 HFADMO CCc1ncc(Cl)c(C(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001130527164 1079436107 /nfs/dbraw/zinc/43/61/07/1079436107.db2.gz ANVHXZJXDWRZDT-ROUUACIJSA-N 1 1 400.910 2.808 20 0 HFADMO C[C@H](Sc1ncccc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)N1CCCC1 ZINC001130518240 1079449434 /nfs/dbraw/zinc/44/94/34/1079449434.db2.gz ISJUOQDEHSZFOW-UHOSZYNNSA-N 1 1 416.591 2.931 20 0 HFADMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(Br)cc1-n1cncn1 ZINC001130519842 1079451512 /nfs/dbraw/zinc/45/15/12/1079451512.db2.gz XVQUEZRQRDYINF-HZPDHXFCSA-N 1 1 404.312 2.777 20 0 HFADMO CC(C)C[N@@H+](C)CCCNC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)OC(C)(C)C)C2 ZINC001130523672 1079459052 /nfs/dbraw/zinc/45/90/52/1079459052.db2.gz IMDWAYFDJGVDGC-INIZCTEOSA-N 1 1 407.559 2.730 20 0 HFADMO CN1CC[NH+](CCCOc2ccc(NC(=O)[C@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC001130544330 1079475825 /nfs/dbraw/zinc/47/58/25/1079475825.db2.gz NMLGIDHKTGMRGO-IBGZPJMESA-N 1 1 401.551 2.991 20 0 HFADMO C[C@H]([NH2+]Cc1nccc(C(F)F)n1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000806184061 1079477500 /nfs/dbraw/zinc/47/75/00/1079477500.db2.gz QICYZZGUOSEZRM-YOEHRIQHSA-N 1 1 406.433 2.930 20 0 HFADMO C[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CCN1C(=O)OC(C)(C)C ZINC000787335851 1076746697 /nfs/dbraw/zinc/74/66/97/1076746697.db2.gz VWOARKMIXJMFFG-KURKYZTESA-N 1 1 424.586 2.669 20 0 HFADMO C[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CCN1C(=O)OC(C)(C)C ZINC000787335845 1076746743 /nfs/dbraw/zinc/74/67/43/1076746743.db2.gz VWOARKMIXJMFFG-FGTMMUONSA-N 1 1 424.586 2.669 20 0 HFADMO COc1cccc2[nH]cc(CCNC(=O)N3CC[N@H+](C4CCOCC4)C[C@@H]3C)c21 ZINC000787310729 1076757199 /nfs/dbraw/zinc/75/71/99/1076757199.db2.gz PBFGRAXGTDTFJY-INIZCTEOSA-N 1 1 400.523 2.614 20 0 HFADMO O=C(COc1ccc(Cl)cc1Cl)N1CC[NH+](CCC2OCCCO2)CC1 ZINC000787310129 1076757647 /nfs/dbraw/zinc/75/76/47/1076757647.db2.gz ZHCOXQKQNPYCPA-UHFFFAOYSA-N 1 1 403.306 2.670 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCCCC(=O)OCc1ccccc1 ZINC000787313183 1076759403 /nfs/dbraw/zinc/75/94/03/1076759403.db2.gz WDVHHWMAEZKKIZ-LJQANCHMSA-N 1 1 417.550 2.795 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)[nH]n2)C1 ZINC000787337951 1076782780 /nfs/dbraw/zinc/78/27/80/1076782780.db2.gz USYDCCJTFNXDQB-IRXDYDNUSA-N 1 1 417.554 2.835 20 0 HFADMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CCC(=O)Nc1sccc1C(N)=O ZINC000746677773 1076791684 /nfs/dbraw/zinc/79/16/84/1076791684.db2.gz UGVCBQSFCLHTLI-MRXNPFEDSA-N 1 1 400.548 2.772 20 0 HFADMO C[C@@H]1CCN(Cc2ccccc2)CC[N@@H+]1CCC(=O)Nc1sccc1C(N)=O ZINC000746677773 1076791691 /nfs/dbraw/zinc/79/16/91/1076791691.db2.gz UGVCBQSFCLHTLI-MRXNPFEDSA-N 1 1 400.548 2.772 20 0 HFADMO C[C@@H]1CCN(Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1sccc1C(N)=O ZINC000746677773 1076791697 /nfs/dbraw/zinc/79/16/97/1076791697.db2.gz UGVCBQSFCLHTLI-MRXNPFEDSA-N 1 1 400.548 2.772 20 0 HFADMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787387418 1076804599 /nfs/dbraw/zinc/80/45/99/1076804599.db2.gz YSTSVQMSFNPXEC-CRAIPNDOSA-N 1 1 405.543 2.546 20 0 HFADMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787387418 1076804604 /nfs/dbraw/zinc/80/46/04/1076804604.db2.gz YSTSVQMSFNPXEC-CRAIPNDOSA-N 1 1 405.543 2.546 20 0 HFADMO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787396237 1076807113 /nfs/dbraw/zinc/80/71/13/1076807113.db2.gz YAGYDGQOAZYVGU-IRXDYDNUSA-N 1 1 419.570 2.938 20 0 HFADMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787448198 1076814681 /nfs/dbraw/zinc/81/46/81/1076814681.db2.gz BQFOBAQHKRBWEL-JTDSTZFVSA-N 1 1 417.554 2.690 20 0 HFADMO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787448198 1076814688 /nfs/dbraw/zinc/81/46/88/1076814688.db2.gz BQFOBAQHKRBWEL-JTDSTZFVSA-N 1 1 417.554 2.690 20 0 HFADMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787448198 1076814693 /nfs/dbraw/zinc/81/46/93/1076814693.db2.gz BQFOBAQHKRBWEL-JTDSTZFVSA-N 1 1 417.554 2.690 20 0 HFADMO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000746687822 1076836464 /nfs/dbraw/zinc/83/64/64/1076836464.db2.gz KSQHADINBGFODS-NVXWUHKLSA-N 1 1 408.527 2.637 20 0 HFADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000746687822 1076836472 /nfs/dbraw/zinc/83/64/72/1076836472.db2.gz KSQHADINBGFODS-NVXWUHKLSA-N 1 1 408.527 2.637 20 0 HFADMO CC(C)[C@H](CNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)[NH+]1CCC(C)CC1 ZINC000746687241 1076840199 /nfs/dbraw/zinc/84/01/99/1076840199.db2.gz OESDPHUCADTVNU-SFHVURJKSA-N 1 1 402.564 2.558 20 0 HFADMO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000787481420 1076840254 /nfs/dbraw/zinc/84/02/54/1076840254.db2.gz MVKDDVCNZVFPHS-GOSISDBHSA-N 1 1 421.501 2.923 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2CCc2ccccc2)cn1 ZINC000787483887 1076841954 /nfs/dbraw/zinc/84/19/54/1076841954.db2.gz AHRUEXQOAHKLND-OAQYLSRUSA-N 1 1 417.513 2.816 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(C)Cc2cc(Cl)ccc2F)cn1 ZINC000787486962 1076843775 /nfs/dbraw/zinc/84/37/75/1076843775.db2.gz SYSUWXRXNPZASP-UHFFFAOYSA-N 1 1 415.856 2.643 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@H](c3ccccc3)CC2)cn1 ZINC000787486484 1076843970 /nfs/dbraw/zinc/84/39/70/1076843970.db2.gz RYOHDNBBBHHGPU-NRFANRHFSA-N 1 1 417.513 2.988 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC=C(c3ccc(C)cc3)CC2)cn1 ZINC000787486413 1076844291 /nfs/dbraw/zinc/84/42/91/1076844291.db2.gz QWQAMHPNFZGSEQ-UHFFFAOYSA-N 1 1 415.497 2.816 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1 ZINC000787592203 1076862543 /nfs/dbraw/zinc/86/25/43/1076862543.db2.gz QZDABQNGCOKIOE-FQEVSTJZSA-N 1 1 419.541 2.637 20 0 HFADMO CCCN(CCC[NH+](C)C)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787576316 1076869415 /nfs/dbraw/zinc/86/94/15/1076869415.db2.gz OWBZQPDTVCAVBD-MRXNPFEDSA-N 1 1 407.559 2.938 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)c2cccc(I)c2)CC1 ZINC000787579403 1076871016 /nfs/dbraw/zinc/87/10/16/1076871016.db2.gz VHTZGIODPHRRIU-UHFFFAOYSA-N 1 1 416.303 2.864 20 0 HFADMO Cc1cc([C@H]2CCCN2C(=O)C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)no1 ZINC000787626740 1076883018 /nfs/dbraw/zinc/88/30/18/1076883018.db2.gz OPMUICUOSKGOAI-HXUWFJFHSA-N 1 1 410.518 2.600 20 0 HFADMO C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3C(=O)/C=C\c3ccc(Cl)cc3)C[C@H]2C1 ZINC000787633410 1076884997 /nfs/dbraw/zinc/88/49/97/1076884997.db2.gz JGTFOFSFRMJPPF-PPLYLHSUSA-N 1 1 401.938 2.754 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000787600748 1076888004 /nfs/dbraw/zinc/88/80/04/1076888004.db2.gz XUAOTEIGSWAGHI-FQEVSTJZSA-N 1 1 416.566 2.890 20 0 HFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccccc1C(=O)NCCNC(=O)OC(C)(C)C ZINC000787643172 1076894069 /nfs/dbraw/zinc/89/40/69/1076894069.db2.gz QUWRTXLIQYSBBS-IYBDPMFKSA-N 1 1 418.538 2.752 20 0 HFADMO Cc1cc2nc(N3CC[N@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)c3ccccc3n2n1 ZINC000746703443 1076906543 /nfs/dbraw/zinc/90/65/43/1076906543.db2.gz HAVLWDXSOBZUHI-MRXNPFEDSA-N 1 1 410.522 2.836 20 0 HFADMO CC(C)c1ccc(N2CC[C@H](C(=O)N3CC[N@H+](C4CCOCC4)C[C@@H]3C)C2=O)cc1 ZINC000787673350 1076906560 /nfs/dbraw/zinc/90/65/60/1076906560.db2.gz QLBAUVDYJNNPLY-PGRDOPGGSA-N 1 1 413.562 2.875 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000787681552 1076909761 /nfs/dbraw/zinc/90/97/61/1076909761.db2.gz DWUIPPXDOHZJHO-XLIONFOSSA-N 1 1 417.550 2.964 20 0 HFADMO C[N@@H+]1CC[C@H](NCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)[C@H]1c1ccccc1 ZINC000787689537 1076913444 /nfs/dbraw/zinc/91/34/44/1076913444.db2.gz LKNOSDROOLGINY-OXJNMPFZSA-N 1 1 412.559 2.699 20 0 HFADMO C[N@H+]1CC[C@H](NCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)[C@H]1c1ccccc1 ZINC000787689537 1076913446 /nfs/dbraw/zinc/91/34/46/1076913446.db2.gz LKNOSDROOLGINY-OXJNMPFZSA-N 1 1 412.559 2.699 20 0 HFADMO Cc1cccc(Cn2[nH]ccc2=NC(=O)CN[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000787692843 1076914756 /nfs/dbraw/zinc/91/47/56/1076914756.db2.gz XVRDDIYQMPYTNM-XUZZJYLKSA-N 1 1 403.530 2.635 20 0 HFADMO Cc1cccc(Cn2[nH]ccc2=NC(=O)CN[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000787692843 1076914761 /nfs/dbraw/zinc/91/47/61/1076914761.db2.gz XVRDDIYQMPYTNM-XUZZJYLKSA-N 1 1 403.530 2.635 20 0 HFADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)C1 ZINC000787707329 1076919831 /nfs/dbraw/zinc/91/98/31/1076919831.db2.gz DFKCMZWSOCFYKB-GCKMJXCFSA-N 1 1 413.559 2.593 20 0 HFADMO O=C(NCc1cnc(N2CCOCC2)s1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000787757208 1076928680 /nfs/dbraw/zinc/92/86/80/1076928680.db2.gz SXDYQCZNZMBWEJ-KRWDZBQOSA-N 1 1 418.538 2.647 20 0 HFADMO C[C@@H]1C[N@@H+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CCN1C(=O)OC(C)(C)C ZINC000787727814 1076932623 /nfs/dbraw/zinc/93/26/23/1076932623.db2.gz 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414.594 2.851 20 0 HFADMO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000787908998 1076990986 /nfs/dbraw/zinc/99/09/86/1076990986.db2.gz HDTSMWAXDVKSHH-RZUBCFFCSA-N 1 1 417.594 2.751 20 0 HFADMO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000787909002 1076991262 /nfs/dbraw/zinc/99/12/62/1076991262.db2.gz HDTSMWAXDVKSHH-VWPQPMDRSA-N 1 1 417.594 2.751 20 0 HFADMO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)CCC2 ZINC000787916835 1076994808 /nfs/dbraw/zinc/99/48/08/1076994808.db2.gz YQJUMMQTUIHMMU-NSHGMRRFSA-N 1 1 417.598 2.832 20 0 HFADMO COc1ccc([C@H](CNS(=O)(=O)c2cnc(Cl)c(F)c2)[NH+]2CCCC2)cc1 ZINC000787917588 1076995063 /nfs/dbraw/zinc/99/50/63/1076995063.db2.gz DNYUWWMNUAHMQC-KRWDZBQOSA-N 1 1 413.902 2.998 20 0 HFADMO C[C@@H](Cc1ccco1)NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000787961425 1077010002 /nfs/dbraw/zinc/01/00/02/1077010002.db2.gz LDRLKKKHKMNUIQ-WMLDXEAASA-N 1 1 423.435 2.736 20 0 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Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)c2cc(C(C)C)nn2C)CC1 ZINC000747006670 1077390668 /nfs/dbraw/zinc/39/06/68/1077390668.db2.gz SHQXSUCYHUIHOP-UHFFFAOYSA-N 1 1 412.534 2.743 20 0 HFADMO CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC000747008520 1077396069 /nfs/dbraw/zinc/39/60/69/1077396069.db2.gz QILNAHYABARJQC-XFXZXTDPSA-N 1 1 401.507 2.534 20 0 HFADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000772731066 1077425058 /nfs/dbraw/zinc/42/50/58/1077425058.db2.gz AWGXXTKZIAOIEE-MLGOLLRUSA-N 1 1 403.306 2.513 20 0 HFADMO Cc1nc(CC2CC2)oc1C(=O)O[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000789153151 1077436909 /nfs/dbraw/zinc/43/69/09/1077436909.db2.gz VVWPHTINRPCPPB-LPHOPBHVSA-N 1 1 411.502 2.872 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@H](C)[N@H+]3CCc4ccccc4C3)C2)c1 ZINC000791510231 1077449228 /nfs/dbraw/zinc/44/92/28/1077449228.db2.gz NYDWCIGUTMEHIG-HJPURHCSSA-N 1 1 423.513 2.760 20 0 HFADMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccnn1C1CCCC1 ZINC000746792369 1077456798 /nfs/dbraw/zinc/45/67/98/1077456798.db2.gz BTOZOMOMHMYKAL-LJQANCHMSA-N 1 1 409.534 2.965 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)Nc1cc(C(C)C)nn1-c1ncccn1 ZINC000789257653 1077477535 /nfs/dbraw/zinc/47/75/35/1077477535.db2.gz HBGUNZKYDCDUHN-UHFFFAOYSA-N 1 1 417.477 2.997 20 0 HFADMO CC(C)[C@H]([NH2+]Cc1nc(Cl)ccc1Cl)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000791623373 1077490833 /nfs/dbraw/zinc/49/08/33/1077490833.db2.gz JRYWBCOJSFHQFJ-KRWDZBQOSA-N 1 1 411.337 2.699 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000791594206 1077496537 /nfs/dbraw/zinc/49/65/37/1077496537.db2.gz ZBXUUFPNPFQJCJ-KRWDZBQOSA-N 1 1 407.942 2.652 20 0 HFADMO COc1cccc(C2=NO[C@H](C(=O)N[C@H](C)[C@H]3C[N@H+](Cc4ccccc4)CCO3)C2)c1 ZINC000791603637 1077501616 /nfs/dbraw/zinc/50/16/16/1077501616.db2.gz GXWCUHYMGQBGFC-MQNAVGNWSA-N 1 1 423.513 2.594 20 0 HFADMO COc1cccc(C2=NO[C@H](C(=O)N[C@H](C)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)c1 ZINC000791603637 1077501622 /nfs/dbraw/zinc/50/16/22/1077501622.db2.gz GXWCUHYMGQBGFC-MQNAVGNWSA-N 1 1 423.513 2.594 20 0 HFADMO COC(=O)[C@@H](CC(C)C)NC(=O)C[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789314671 1077511234 /nfs/dbraw/zinc/51/12/34/1077511234.db2.gz DLIBRZNAUALDLA-QGZVFWFLSA-N 1 1 411.930 2.530 20 0 HFADMO CS(=O)(=O)c1ccc([C@H](O)CN2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000789355216 1077515406 /nfs/dbraw/zinc/51/54/06/1077515406.db2.gz BTBGPWAHQTXJEZ-HXUWFJFHSA-N 1 1 403.548 2.536 20 0 HFADMO CCO[C@@H](CCNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1)C(C)C ZINC000746802556 1077526690 /nfs/dbraw/zinc/52/66/90/1077526690.db2.gz DUZGFPBECUBERW-IBGZPJMESA-N 1 1 424.973 2.598 20 0 HFADMO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000789358325 1077527969 /nfs/dbraw/zinc/52/79/69/1077527969.db2.gz PQPXCRNWMOCDES-VQIMIIECSA-N 1 1 417.506 2.580 20 0 HFADMO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000789358325 1077527971 /nfs/dbraw/zinc/52/79/71/1077527971.db2.gz PQPXCRNWMOCDES-VQIMIIECSA-N 1 1 417.506 2.580 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000789362669 1077538344 /nfs/dbraw/zinc/53/83/44/1077538344.db2.gz JCXPEQLXPCEBEV-HNNXBMFYSA-N 1 1 410.474 2.764 20 0 HFADMO Cc1ccc(CCC(=O)O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000747035893 1077538757 /nfs/dbraw/zinc/53/87/57/1077538757.db2.gz MVRUOSBMRXVCNT-GOSISDBHSA-N 1 1 414.502 2.601 20 0 HFADMO Cc1cc(N2CCC[C@@H](OC(=O)[C@H]3CC34CN(C(=O)OC(C)(C)C)C4)C2)nc(C)[nH+]1 ZINC000789368534 1077541082 /nfs/dbraw/zinc/54/10/82/1077541082.db2.gz CUFRZJHTNWLUAM-IAGOWNOFSA-N 1 1 416.522 2.862 20 0 HFADMO CCC[C@@H](CCCS(C)(=O)=O)C(=O)O[C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000789421986 1077551728 /nfs/dbraw/zinc/55/17/28/1077551728.db2.gz NCMNETPLQCKUMV-ROUUACIJSA-N 1 1 411.568 2.847 20 0 HFADMO COCCOC(=O)c1c(C)[nH]c(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000791827135 1077575550 /nfs/dbraw/zinc/57/55/50/1077575550.db2.gz XGJCOBMPNLAYPH-IBGZPJMESA-N 1 1 413.518 2.687 20 0 HFADMO Cc1c(C(=O)OC[C@H](C)O)nnn1-c1cccc2c1CC[N@H+](Cc1ccccc1F)C2 ZINC000791906849 1077591723 /nfs/dbraw/zinc/59/17/23/1077591723.db2.gz JFKKGOKECRMVPD-HNNXBMFYSA-N 1 1 424.476 2.811 20 0 HFADMO Cc1c(C(=O)OC[C@H](C)O)nnn1-c1cccc2c1CC[N@@H+](Cc1ccccc1F)C2 ZINC000791906849 1077591728 /nfs/dbraw/zinc/59/17/28/1077591728.db2.gz JFKKGOKECRMVPD-HNNXBMFYSA-N 1 1 424.476 2.811 20 0 HFADMO C[C@]1(c2ccccc2Br)NC(=O)N(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)C1=O ZINC000789499790 1077596900 /nfs/dbraw/zinc/59/69/00/1077596900.db2.gz BRKIVJQNHZLUPN-FRQCXROJSA-N 1 1 422.323 2.817 20 0 HFADMO C[C@]1(c2ccccc2Br)NC(=O)N(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)C1=O ZINC000789499790 1077596905 /nfs/dbraw/zinc/59/69/05/1077596905.db2.gz BRKIVJQNHZLUPN-FRQCXROJSA-N 1 1 422.323 2.817 20 0 HFADMO CC[NH+]1CCN(c2ccc(C(=O)OCc3ccc(S(C)(=O)=O)cc3)cc2F)CC1 ZINC000791941177 1077601465 /nfs/dbraw/zinc/60/14/65/1077601465.db2.gz YWXAJPRMAUBCRT-UHFFFAOYSA-N 1 1 420.506 2.728 20 0 HFADMO C[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789520777 1077615525 /nfs/dbraw/zinc/61/55/25/1077615525.db2.gz IHGDDNYXFHUUJB-OAQYLSRUSA-N 1 1 405.498 2.796 20 0 HFADMO Cc1ccc2c(c1)C(=O)N(CC(=O)N1c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@@H]31)C2=O ZINC000791975237 1077617234 /nfs/dbraw/zinc/61/72/34/1077617234.db2.gz RHINAAAVARDZHH-FPOVZHCZSA-N 1 1 403.482 2.734 20 0 HFADMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CCn1cnc2ccccc2c1=O ZINC000791979910 1077621269 /nfs/dbraw/zinc/62/12/69/1077621269.db2.gz FWJIZXVHTFIMJG-UGKGYDQZSA-N 1 1 402.498 2.930 20 0 HFADMO CC(C)C(=O)N(C)Cc1ccc(C(=O)OCCC[NH+]2CCN(C(C)C)CC2)cc1 ZINC000791951570 1077627327 /nfs/dbraw/zinc/62/73/27/1077627327.db2.gz DINCQAUHCSCBRK-UHFFFAOYSA-N 1 1 403.567 2.874 20 0 HFADMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CC(c4cccc(OC)c4)=NO3)cc2)CC1 ZINC000792057178 1077664219 /nfs/dbraw/zinc/66/42/19/1077664219.db2.gz IKBAAYGEIACCEW-HSZRJFAPSA-N 1 1 422.529 2.964 20 0 HFADMO Cc1ccc(C(=O)N(C)C)cc1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792059120 1077666100 /nfs/dbraw/zinc/66/61/00/1077666100.db2.gz WWCDNEKKFORYRD-UHFFFAOYSA-N 1 1 418.538 2.578 20 0 HFADMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1nc(Br)ccc1F ZINC000792069054 1077677764 /nfs/dbraw/zinc/67/77/64/1077677764.db2.gz SUCNDGOTZDMQOK-UHFFFAOYSA-N 1 1 408.271 2.745 20 0 HFADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN[C@H](c2cnn(C)c2)C1 ZINC001170113059 1077687850 /nfs/dbraw/zinc/68/78/50/1077687850.db2.gz WBQJSSBQFVOLCU-MZYLBHOOSA-N 1 1 409.578 2.687 20 0 HFADMO O=C([C@H]1CCN(CC(F)(F)F)C1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000792038023 1077688859 /nfs/dbraw/zinc/68/88/59/1077688859.db2.gz HNQSDNVJSJQZRF-SFHVURJKSA-N 1 1 406.452 2.763 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCO[C@H](c3ccccc3)C2)CC1 ZINC000792039392 1077688867 /nfs/dbraw/zinc/68/88/67/1077688867.db2.gz DJMFCLBXBHSWCP-IBGZPJMESA-N 1 1 403.523 2.529 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2cccc(-c3nnco3)c2)CC1 ZINC000792047657 1077692776 /nfs/dbraw/zinc/69/27/76/1077692776.db2.gz FCDUYBJZLQYAMG-UHFFFAOYSA-N 1 1 401.467 2.618 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000792051170 1077695030 /nfs/dbraw/zinc/69/50/30/1077695030.db2.gz MCZZQUOUFLAMRV-IBGZPJMESA-N 1 1 421.513 2.668 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)Cc2sc(N)nc2-c2ccccc2)CC1 ZINC000792101940 1077697378 /nfs/dbraw/zinc/69/73/78/1077697378.db2.gz DNIAUCLVOVEWNU-UHFFFAOYSA-N 1 1 402.564 2.894 20 0 HFADMO COC(=O)N(C)c1ccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000792085814 1077708925 /nfs/dbraw/zinc/70/89/25/1077708925.db2.gz UYXIFFUUTXUWPT-UHFFFAOYSA-N 1 1 420.510 2.771 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000792087480 1077710098 /nfs/dbraw/zinc/71/00/98/1077710098.db2.gz CUBVTUVMLAMYNM-IBGZPJMESA-N 1 1 423.598 2.983 20 0 HFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CC2(NC(=O)OC(C)(C)C)CCC2)CC1 ZINC000746843314 1077717566 /nfs/dbraw/zinc/71/75/66/1077717566.db2.gz XULMPKWGGVVNRR-KDURUIRLSA-N 1 1 422.614 2.841 20 0 HFADMO CCN1CCc2ccc(NC(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)cc21 ZINC000792132999 1077717958 /nfs/dbraw/zinc/71/79/58/1077717958.db2.gz ILFZRSWHRYQPJJ-UHFFFAOYSA-N 1 1 402.539 2.950 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCCO[C@@H](c3ccccc3)C2)CC1 ZINC000792143828 1077720986 /nfs/dbraw/zinc/72/09/86/1077720986.db2.gz SDUOHTIYRQUTMA-HXUWFJFHSA-N 1 1 417.550 2.919 20 0 HFADMO C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)CNC(=O)OC(C)(C)C ZINC000792142755 1077721105 /nfs/dbraw/zinc/72/11/05/1077721105.db2.gz KTSFWDSHPSGGHE-PKOBYXMFSA-N 1 1 404.555 2.969 20 0 HFADMO COc1ccc(NC(=O)CO[NH+]=C(N)CCNC(=O)OC(C)(C)C)cc1Cl ZINC000789654622 1077721559 /nfs/dbraw/zinc/72/15/59/1077721559.db2.gz VSVWACFOHMXWQF-UHFFFAOYSA-N 1 1 400.863 2.700 20 0 HFADMO COc1ccc(C2(NC(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000792157846 1077725711 /nfs/dbraw/zinc/72/57/11/1077725711.db2.gz HJIBJIRZQKBDEA-UHFFFAOYSA-N 1 1 403.523 2.743 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@H]2C[C@@]23CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000792161436 1077727362 /nfs/dbraw/zinc/72/73/62/1077727362.db2.gz SVBFMKHZHBKHBU-XMSQKQJNSA-N 1 1 409.571 2.593 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)CC1 ZINC000792125553 1077730312 /nfs/dbraw/zinc/73/03/12/1077730312.db2.gz UYZGNOIUNTXHMY-TZIWHRDSSA-N 1 1 417.550 2.966 20 0 HFADMO CC(C)CC[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000789692571 1077730814 /nfs/dbraw/zinc/73/08/14/1077730814.db2.gz AHSGZHTVBBSNHD-AQNXPRMDSA-N 1 1 421.969 2.913 20 0 HFADMO CN(C)c1[nH+]cc(CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)n1C ZINC000792164208 1077731881 /nfs/dbraw/zinc/73/18/81/1077731881.db2.gz DSRUOQBYAATVIX-KRWDZBQOSA-N 1 1 419.501 2.550 20 0 HFADMO COC(=O)N1CCC([C@H](C)NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000792177127 1077736053 /nfs/dbraw/zinc/73/60/53/1077736053.db2.gz BHFAVYHPTJMNFT-HKUYNNGSSA-N 1 1 402.539 2.675 20 0 HFADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)C1 ZINC000746848670 1077736960 /nfs/dbraw/zinc/73/69/60/1077736960.db2.gz RGUIXWRTDJSONQ-OWCLPIDISA-N 1 1 411.543 2.553 20 0 HFADMO COC(=O)N1CCC[C@H]([C@H](C)NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000792181447 1077736986 /nfs/dbraw/zinc/73/69/86/1077736986.db2.gz ZVMURGPVUWRBOQ-IHPCNDPISA-N 1 1 402.539 2.675 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NC[C@@H]2CCc3ccccc3C2)CC1 ZINC000792184152 1077737905 /nfs/dbraw/zinc/73/79/05/1077737905.db2.gz INTFYTNNXVCBGU-GOSISDBHSA-N 1 1 401.551 2.851 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC000792187189 1077738673 /nfs/dbraw/zinc/73/86/73/1077738673.db2.gz CNTUCDFAJGCAEE-IEBWSBKVSA-N 1 1 411.587 2.887 20 0 HFADMO C[NH+]1CCN([C@@H](CNC(=O)c2nc(Br)cs2)c2cccs2)CC1 ZINC000792204530 1077744755 /nfs/dbraw/zinc/74/47/55/1077744755.db2.gz APUFNQAHIFSASM-NSHDSACASA-N 1 1 415.382 2.686 20 0 HFADMO Cc1ccc(N2CCC(C(=O)N(C)[C@H]3CCN(Cc4ccccc4)C3=O)CC2)[nH+]c1 ZINC000789707449 1077747141 /nfs/dbraw/zinc/74/71/41/1077747141.db2.gz FUSXHNOZRMLOIP-NRFANRHFSA-N 1 1 406.530 2.866 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000792222675 1077748502 /nfs/dbraw/zinc/74/85/02/1077748502.db2.gz IWRSOFXQTRFBTE-XAEMIUIASA-N 1 1 423.513 2.976 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000792222672 1077748572 /nfs/dbraw/zinc/74/85/72/1077748572.db2.gz IWRSOFXQTRFBTE-CEXJFXJFSA-N 1 1 423.513 2.976 20 0 HFADMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCN(c2ncccc2F)CC1 ZINC000792229804 1077753289 /nfs/dbraw/zinc/75/32/89/1077753289.db2.gz KVGBKBUSGXPVLN-HXUWFJFHSA-N 1 1 411.525 2.965 20 0 HFADMO COc1cc(OC)cc([C@@H](O)CNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000792228140 1077753425 /nfs/dbraw/zinc/75/34/25/1077753425.db2.gz SJDDDNCPMXATDP-AVRDEDQJSA-N 1 1 413.518 2.559 20 0 HFADMO CC1(C)CN=C(N2CCN(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)S1 ZINC000792229737 1077753730 /nfs/dbraw/zinc/75/37/30/1077753730.db2.gz FWXRUIHEHTXNPM-LJQANCHMSA-N 1 1 415.607 2.717 20 0 HFADMO CN(C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](CCO)c1ccccc1 ZINC000792238978 1077759145 /nfs/dbraw/zinc/75/91/45/1077759145.db2.gz ZMFXVWSIQFBVGF-IBGZPJMESA-N 1 1 405.539 2.511 20 0 HFADMO Cc1cc(C)c(N2CC[C@@H](NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C2=O)c(C)c1 ZINC000789722906 1077759754 /nfs/dbraw/zinc/75/97/54/1077759754.db2.gz BUOXFMHWGIEEFV-YADHBBJMSA-N 1 1 421.541 2.734 20 0 HFADMO Cc1cc(C)c(N2CC[C@@H](NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C2=O)c(C)c1 ZINC000789722906 1077759761 /nfs/dbraw/zinc/75/97/61/1077759761.db2.gz BUOXFMHWGIEEFV-YADHBBJMSA-N 1 1 421.541 2.734 20 0 HFADMO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc3sccc3C1)CCC2 ZINC000789724865 1077760646 /nfs/dbraw/zinc/76/06/46/1077760646.db2.gz RZNKOMINWXQDLM-WBMJQRKESA-N 1 1 418.588 2.570 20 0 HFADMO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc3sccc3C1)CCC2 ZINC000789724865 1077760650 /nfs/dbraw/zinc/76/06/50/1077760650.db2.gz RZNKOMINWXQDLM-WBMJQRKESA-N 1 1 418.588 2.570 20 0 HFADMO CN(C)c1ccc(NC(=O)CC[NH+]2CCN(C(=O)NC3CCCCC3)CC2)cc1 ZINC000792243375 1077762440 /nfs/dbraw/zinc/76/24/40/1077762440.db2.gz IRZQLIORYFCKSJ-UHFFFAOYSA-N 1 1 401.555 2.741 20 0 HFADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C ZINC000792250643 1077771467 /nfs/dbraw/zinc/77/14/67/1077771467.db2.gz KQCPCPJWDSLQLC-IEBWSBKVSA-N 1 1 419.570 2.991 20 0 HFADMO COCC[N@@H+](C)CCCC1CCN(C(=O)[C@H]2CC(c3cccc(OC)c3)=NO2)CC1 ZINC000792290400 1077777476 /nfs/dbraw/zinc/77/74/76/1077777476.db2.gz MSDRAMFJQPYKNV-JOCHJYFZSA-N 1 1 417.550 2.785 20 0 HFADMO COc1ccc(N(C)C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1 ZINC000792272091 1077788098 /nfs/dbraw/zinc/78/80/98/1077788098.db2.gz AFKULLIGUOPTRT-UHFFFAOYSA-N 1 1 407.511 2.609 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCCOc2ccccc2Cl)CC1 ZINC000792273466 1077789239 /nfs/dbraw/zinc/78/92/39/1077789239.db2.gz HKWALIVKWJUAMY-UHFFFAOYSA-N 1 1 411.930 2.778 20 0 HFADMO COc1cc2c(cc1F)CN(C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)CC2 ZINC000792302674 1077796371 /nfs/dbraw/zinc/79/63/71/1077796371.db2.gz YYJXUNCYWCFAFI-UHFFFAOYSA-N 1 1 421.513 2.662 20 0 HFADMO CC(=O)Nc1ccc(C(=O)OCC[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000789791621 1077798667 /nfs/dbraw/zinc/79/86/67/1077798667.db2.gz GWWQPMRTBLECMP-UHFFFAOYSA-N 1 1 405.495 2.745 20 0 HFADMO CC(=O)Nc1ccc(C(=O)OCC[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000789791621 1077798671 /nfs/dbraw/zinc/79/86/71/1077798671.db2.gz GWWQPMRTBLECMP-UHFFFAOYSA-N 1 1 405.495 2.745 20 0 HFADMO CCn1cc([C@@H](O)C[N@H+](Cc2ccccc2)Cc2cc(=O)n3ccsc3n2)cn1 ZINC000792364647 1077816648 /nfs/dbraw/zinc/81/66/48/1077816648.db2.gz IJPKNJXGGQCGQS-IBGZPJMESA-N 1 1 409.515 2.708 20 0 HFADMO CCn1cc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3ccsc3n2)cn1 ZINC000792364647 1077816653 /nfs/dbraw/zinc/81/66/53/1077816653.db2.gz IJPKNJXGGQCGQS-IBGZPJMESA-N 1 1 409.515 2.708 20 0 HFADMO CCn1cc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3cccc(C)c3n2)cn1 ZINC000792375482 1077821197 /nfs/dbraw/zinc/82/11/97/1077821197.db2.gz HJWKPNIOTASOQH-QFIPXVFZSA-N 1 1 417.513 2.955 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NC[C@@H]2CCCN(c3ccccc3)C2)cn1 ZINC000789810753 1077821383 /nfs/dbraw/zinc/82/13/83/1077821383.db2.gz ZDFVQPBKKQRGFX-SFHVURJKSA-N 1 1 418.501 2.547 20 0 HFADMO O=C(C[NH+]1CCC(Oc2ccc(F)nc2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000792388625 1077831188 /nfs/dbraw/zinc/83/11/88/1077831188.db2.gz LGJVYJOLAIWTKG-UHFFFAOYSA-N 1 1 416.472 2.552 20 0 HFADMO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)c(C)c2)CC1 ZINC000789880945 1077834149 /nfs/dbraw/zinc/83/41/49/1077834149.db2.gz ZPTSUDWFOHAXNE-KRWDZBQOSA-N 1 1 414.472 2.779 20 0 HFADMO CN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789883568 1077834819 /nfs/dbraw/zinc/83/48/19/1077834819.db2.gz AFXJKRIWKZIRHT-YADHBBJMSA-N 1 1 406.530 2.553 20 0 HFADMO CCC[C@H](NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1)[C@H](O)c1ccccc1 ZINC000792405267 1077838300 /nfs/dbraw/zinc/83/83/00/1077838300.db2.gz HWKVJEPBVKXGLS-AZUAARDMSA-N 1 1 407.474 2.533 20 0 HFADMO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@H+](C)C2(CO)CCOCC2)c1 ZINC000792408730 1077840877 /nfs/dbraw/zinc/84/08/77/1077840877.db2.gz IVSTXKBKPJXGCV-UHFFFAOYSA-N 1 1 411.502 2.659 20 0 HFADMO COC(=O)c1ccc(NC(=O)NCc2cccnc2-n2cc[nH+]c2C)c(N(C)C)c1 ZINC000792409861 1077841127 /nfs/dbraw/zinc/84/11/27/1077841127.db2.gz JEQABNVKSKWNKI-UHFFFAOYSA-N 1 1 408.462 2.750 20 0 HFADMO C[C@@H](OC(=O)c1nc2cccnc2s1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792382075 1077845846 /nfs/dbraw/zinc/84/58/46/1077845846.db2.gz QLIPLTGPYICHJM-GDBMZVCRSA-N 1 1 410.499 2.627 20 0 HFADMO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1nnc2c(c1C(F)(F)F)CCC2 ZINC001170166780 1077854902 /nfs/dbraw/zinc/85/49/02/1077854902.db2.gz QGRDQKZMWGNXRA-UHFFFAOYSA-N 1 1 406.412 2.852 20 0 HFADMO CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000792497191 1077867301 /nfs/dbraw/zinc/86/73/01/1077867301.db2.gz ZRRGGCDSPUJIDG-PMACEKPBSA-N 1 1 417.550 2.651 20 0 HFADMO COc1cc(-c2nnc(SCC[C@H]3CCCC[N@H+]3C)n2N)cc(OC)c1OC ZINC000789956024 1077867904 /nfs/dbraw/zinc/86/79/04/1077867904.db2.gz RRLFTCVRWJNXGM-CQSZACIVSA-N 1 1 407.540 2.651 20 0 HFADMO C[C@@H](OC(=O)c1ccc2cncn2c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000792565812 1077905544 /nfs/dbraw/zinc/90/55/44/1077905544.db2.gz QXLNWXBWMQVGMP-QGZVFWFLSA-N 1 1 406.486 2.660 20 0 HFADMO CC[C@@H]1C[C@@H](NC(=[NH2+])NCCC[C@H](N)C(=O)Nc2ccc3ccccc3c2)CCO1 ZINC001170200905 1077912714 /nfs/dbraw/zinc/91/27/14/1077912714.db2.gz AJGLCEOBJYFGEA-HBMCJLEFSA-N 1 1 411.550 2.957 20 0 HFADMO CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792578256 1077915103 /nfs/dbraw/zinc/91/51/03/1077915103.db2.gz LSPSZXVZHHRHLE-OTWHNJEPSA-N 1 1 417.575 2.887 20 0 HFADMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2nn(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000772806809 1077924416 /nfs/dbraw/zinc/92/44/16/1077924416.db2.gz FYVJULLYRCNTEJ-UHFFFAOYSA-N 1 1 408.433 2.759 20 0 HFADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000790052728 1077931824 /nfs/dbraw/zinc/93/18/24/1077931824.db2.gz KKENLIXHWDIXSK-OAQYLSRUSA-N 1 1 414.594 2.668 20 0 HFADMO O=C(N1C[C@H]2CC[N@@H+](CCCN3CCN(c4ccccc4)CC3)C[C@@H]2C1)C(F)(F)F ZINC001170280615 1077936519 /nfs/dbraw/zinc/93/65/19/1077936519.db2.gz MKVGLGFQHGXGJE-RTBURBONSA-N 1 1 424.511 2.541 20 0 HFADMO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCCN(Cc2ccc(C)cc2)CC1 ZINC001170280676 1077936547 /nfs/dbraw/zinc/93/65/47/1077936547.db2.gz NQJSJYDDYSHBRB-YADHBBJMSA-N 1 1 415.578 2.741 20 0 HFADMO C[C@@H](Cc1ccccc1Cl)[N@H+]1CCc2ccc(=O)n(CC(=O)N(C)C)c2CC1 ZINC001170280954 1077936620 /nfs/dbraw/zinc/93/66/20/1077936620.db2.gz CBTGOWOZPJOLJA-INIZCTEOSA-N 1 1 401.938 2.622 20 0 HFADMO C[C@@H](Cc1ccccc1Cl)[N@H+]1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001170284474 1077937617 /nfs/dbraw/zinc/93/76/17/1077937617.db2.gz OBJALBYOHBVKMY-DLBZAZTESA-N 1 1 424.936 2.820 20 0 HFADMO C[C@@H](Cc1ccccc1Cl)[N@@H+]1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001170284474 1077937619 /nfs/dbraw/zinc/93/76/19/1077937619.db2.gz OBJALBYOHBVKMY-DLBZAZTESA-N 1 1 424.936 2.820 20 0 HFADMO CNC(=O)[C@H](NC(=O)C[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1)c1ccccc1 ZINC001170315033 1077941225 /nfs/dbraw/zinc/94/12/25/1077941225.db2.gz JJDNAHQTXFNJSO-JOCHJYFZSA-N 1 1 415.484 2.823 20 0 HFADMO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ncc(C(=O)OCc2ccccc2)c(C(F)(F)F)n1 ZINC001170337148 1077947565 /nfs/dbraw/zinc/94/75/65/1077947565.db2.gz MJUZDUQVDUIRAW-UHFFFAOYSA-N 1 1 421.379 2.553 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)C[C@H](C)O1 ZINC000790129147 1077951675 /nfs/dbraw/zinc/95/16/75/1077951675.db2.gz XTPIWYUJUPSYFV-CALCHBBNSA-N 1 1 405.539 2.893 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)C[C@H](C)O1 ZINC000790129147 1077951676 /nfs/dbraw/zinc/95/16/76/1077951676.db2.gz XTPIWYUJUPSYFV-CALCHBBNSA-N 1 1 405.539 2.893 20 0 HFADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC(Oc3ccc(F)nc3)CC2)C[C@@H](C)O1 ZINC000790140794 1077954789 /nfs/dbraw/zinc/95/47/89/1077954789.db2.gz YDKOWAAVQMRVQK-HZPDHXFCSA-N 1 1 408.518 2.661 20 0 HFADMO O=C(C[C@H](O)c1ccc(Cl)cc1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000772813189 1077955849 /nfs/dbraw/zinc/95/58/49/1077955849.db2.gz OGOKGSOSZVIHIY-TYPHKJRUSA-N 1 1 402.922 2.763 20 0 HFADMO Cc1cccc(C2N=NC(=S)N2CCC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000790121125 1077957736 /nfs/dbraw/zinc/95/77/36/1077957736.db2.gz FDVPGCHCBBXFNB-UHFFFAOYSA-N 1 1 417.579 2.502 20 0 HFADMO Cc1cccc(C2N=NC(=S)N2CCC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC000790121125 1077957739 /nfs/dbraw/zinc/95/77/39/1077957739.db2.gz FDVPGCHCBBXFNB-UHFFFAOYSA-N 1 1 417.579 2.502 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000790126842 1077959530 /nfs/dbraw/zinc/95/95/30/1077959530.db2.gz JWIGPTMYRIYIQA-WSTZPKSXSA-N 1 1 419.566 2.690 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000790126842 1077959532 /nfs/dbraw/zinc/95/95/32/1077959532.db2.gz JWIGPTMYRIYIQA-WSTZPKSXSA-N 1 1 419.566 2.690 20 0 HFADMO CCOC(=O)N1[C@@H](C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC[C@H]1c1ccc(C)o1 ZINC000790126399 1077959785 /nfs/dbraw/zinc/95/97/85/1077959785.db2.gz ZWMOYMFJUBDENU-ZWKOTPCHSA-N 1 1 421.538 2.819 20 0 HFADMO CCOC(=O)N1[C@@H](C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC[C@H]1c1ccc(C)o1 ZINC000790126399 1077959786 /nfs/dbraw/zinc/95/97/86/1077959786.db2.gz ZWMOYMFJUBDENU-ZWKOTPCHSA-N 1 1 421.538 2.819 20 0 HFADMO Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)[C@@H]2CCC(=O)c3ccccc32)CC1 ZINC000792658779 1077961040 /nfs/dbraw/zinc/96/10/40/1077961040.db2.gz CNHZFSWVVZORLZ-JOCHJYFZSA-N 1 1 420.509 2.943 20 0 HFADMO CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000790162521 1077963448 /nfs/dbraw/zinc/96/34/48/1077963448.db2.gz RSZNSRMJNHEPRW-AWEZNQCLSA-N 1 1 418.498 2.589 20 0 HFADMO COC(=O)CCN1CCC[C@H]([N@@H+]2CC[C@H](c3cccc(Br)c3)C2)C1=O ZINC001170412685 1077967069 /nfs/dbraw/zinc/96/70/69/1077967069.db2.gz SUTPGOHSCIBZMJ-RDJZCZTQSA-N 1 1 409.324 2.793 20 0 HFADMO COC(=O)CCN1CCC[C@H]([N@H+]2CC[C@H](c3cccc(Br)c3)C2)C1=O ZINC001170412685 1077967072 /nfs/dbraw/zinc/96/70/72/1077967072.db2.gz SUTPGOHSCIBZMJ-RDJZCZTQSA-N 1 1 409.324 2.793 20 0 HFADMO C[C@H]1CSCC[N@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000792719757 1077974312 /nfs/dbraw/zinc/97/43/12/1077974312.db2.gz JJQOEJYBURPMMW-PXAZEXFGSA-N 1 1 412.353 2.859 20 0 HFADMO C[C@H]1CSCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000792719757 1077974317 /nfs/dbraw/zinc/97/43/17/1077974317.db2.gz JJQOEJYBURPMMW-PXAZEXFGSA-N 1 1 412.353 2.859 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000790241591 1077974676 /nfs/dbraw/zinc/97/46/76/1077974676.db2.gz AKQSYWIFHCMFKV-FQEVSTJZSA-N 1 1 407.474 2.565 20 0 HFADMO O=S(=O)(C[C@@H]1CCCOC1)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000792765542 1077988233 /nfs/dbraw/zinc/98/82/33/1077988233.db2.gz QBDFFIWUECBFCQ-NVXWUHKLSA-N 1 1 406.470 2.626 20 0 HFADMO O=S(=O)(C[C@@H]1CCCOC1)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000792765542 1077988236 /nfs/dbraw/zinc/98/82/36/1077988236.db2.gz QBDFFIWUECBFCQ-NVXWUHKLSA-N 1 1 406.470 2.626 20 0 HFADMO C[C@H]([NH2+]CC(=O)N1CCC2(CC1)OCCO2)c1ccc(Br)cc1F ZINC000796693939 1077988693 /nfs/dbraw/zinc/98/86/93/1077988693.db2.gz HTEXZNPVFDGMKZ-LBPRGKRZSA-N 1 1 401.276 2.604 20 0 HFADMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1nc(Br)ccc1Br ZINC000790318984 1077995743 /nfs/dbraw/zinc/99/57/43/1077995743.db2.gz OIEROZCTIXKPLS-WDEREUQCSA-N 1 1 403.118 2.963 20 0 HFADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000792863919 1078011089 /nfs/dbraw/zinc/01/10/89/1078011089.db2.gz VVFTXGADTQURSW-NZQKXSOJSA-N 1 1 417.550 2.508 20 0 HFADMO C[C@H](CNC(=O)N(CCO)Cc1cccnc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000792865882 1078011522 /nfs/dbraw/zinc/01/15/22/1078011522.db2.gz ZOPMSOGNYDIIRN-CQSZACIVSA-N 1 1 408.955 2.747 20 0 HFADMO C[C@H](CNC(=O)N(CCO)Cc1cccnc1Cl)[N@H+]1CCc2sccc2C1 ZINC000792865882 1078011528 /nfs/dbraw/zinc/01/15/28/1078011528.db2.gz ZOPMSOGNYDIIRN-CQSZACIVSA-N 1 1 408.955 2.747 20 0 HFADMO O=C(NC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1)OCc1ccccc1 ZINC000792871997 1078012184 /nfs/dbraw/zinc/01/21/84/1078012184.db2.gz MEQHWJXWVHRWAR-PCCBWWKXSA-N 1 1 414.550 2.961 20 0 HFADMO C[C@H]1C[N@@H+](Cn2ccc(=O)c3cccc(Br)c32)CC2(CCOCC2)O1 ZINC000790391967 1078013192 /nfs/dbraw/zinc/01/31/92/1078013192.db2.gz HAOSSMDVXBUNOL-AWEZNQCLSA-N 1 1 407.308 2.991 20 0 HFADMO Cc1c(Cl)cccc1N1CCC[N@H+](CC(=O)Nc2ccccc2C(N)=O)CC1 ZINC000792891757 1078018087 /nfs/dbraw/zinc/01/80/87/1078018087.db2.gz YDEGHBGWRRBFRT-UHFFFAOYSA-N 1 1 400.910 2.898 20 0 HFADMO Cc1c(Cl)cccc1N1CCC[N@@H+](CC(=O)Nc2ccccc2C(N)=O)CC1 ZINC000792891757 1078018092 /nfs/dbraw/zinc/01/80/92/1078018092.db2.gz YDEGHBGWRRBFRT-UHFFFAOYSA-N 1 1 400.910 2.898 20 0 HFADMO CCC[N@H+]1CC[C@H](CNC(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000792908541 1078020845 /nfs/dbraw/zinc/02/08/45/1078020845.db2.gz PIDBUKISVJPYBP-DENIHFKCSA-N 1 1 402.539 2.819 20 0 HFADMO CN1CC[N@@H+](CCC(=O)Nc2ccccc2C(=O)NC2CC2)C[C@@H]1Cc1ccccc1 ZINC000792939622 1078021838 /nfs/dbraw/zinc/02/18/38/1078021838.db2.gz HNDORAJBDZUTNG-NRFANRHFSA-N 1 1 420.557 2.766 20 0 HFADMO C[N@@H+]1CCN(CCC(=O)Nc2ccccc2C(=O)NC2CC2)C[C@@H]1Cc1ccccc1 ZINC000792939622 1078021843 /nfs/dbraw/zinc/02/18/43/1078021843.db2.gz HNDORAJBDZUTNG-NRFANRHFSA-N 1 1 420.557 2.766 20 0 HFADMO C[N@H+]1CCN(CCC(=O)Nc2ccccc2C(=O)NC2CC2)C[C@@H]1Cc1ccccc1 ZINC000792939622 1078021850 /nfs/dbraw/zinc/02/18/50/1078021850.db2.gz HNDORAJBDZUTNG-NRFANRHFSA-N 1 1 420.557 2.766 20 0 HFADMO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000792943766 1078023050 /nfs/dbraw/zinc/02/30/50/1078023050.db2.gz UEPDLVSBKKALSL-YKSBVNFPSA-N 1 1 422.573 2.709 20 0 HFADMO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)C(=O)Nc1cccc(F)n1 ZINC000792978779 1078031642 /nfs/dbraw/zinc/03/16/42/1078031642.db2.gz BPKPSGBDZHIKNB-INIZCTEOSA-N 1 1 404.873 2.984 20 0 HFADMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)C(=O)Nc1cccc(F)n1 ZINC000792978779 1078031649 /nfs/dbraw/zinc/03/16/49/1078031649.db2.gz BPKPSGBDZHIKNB-INIZCTEOSA-N 1 1 404.873 2.984 20 0 HFADMO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)C(=O)Nc1cccc(Br)n1 ZINC000792980236 1078031894 /nfs/dbraw/zinc/03/18/94/1078031894.db2.gz MJSNGOMCQIBWQP-OAHLLOKOSA-N 1 1 423.355 2.944 20 0 HFADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1 ZINC000792953979 1078034538 /nfs/dbraw/zinc/03/45/38/1078034538.db2.gz ACRRVPNWOSEQBB-JTSKRJEESA-N 1 1 413.522 2.928 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000790452221 1078035811 /nfs/dbraw/zinc/03/58/11/1078035811.db2.gz XBOCBXDDSBQEKA-AWEZNQCLSA-N 1 1 407.458 2.586 20 0 HFADMO Cc1ccc(NC(=O)C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)nc1Br ZINC000792968201 1078038424 /nfs/dbraw/zinc/03/84/24/1078038424.db2.gz HCDLXJDUEACLKE-LBPRGKRZSA-N 1 1 411.344 2.718 20 0 HFADMO C[C@@H]1CCSCC[N@@H+]1Cn1c(=O)oc2cc(I)ccc21 ZINC000790476348 1078040242 /nfs/dbraw/zinc/04/02/42/1078040242.db2.gz DWWMHLQJVNQVSF-SNVBAGLBSA-N 1 1 404.273 2.984 20 0 HFADMO C[C@@H]1CCSCC[N@H+]1Cn1c(=O)oc2cc(I)ccc21 ZINC000790476348 1078040246 /nfs/dbraw/zinc/04/02/46/1078040246.db2.gz DWWMHLQJVNQVSF-SNVBAGLBSA-N 1 1 404.273 2.984 20 0 HFADMO O=C(Nc1cccc(F)n1)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000792987971 1078042027 /nfs/dbraw/zinc/04/20/27/1078042027.db2.gz YQJFOZMGSWCWTC-CQSZACIVSA-N 1 1 410.371 2.569 20 0 HFADMO O=C(Nc1cccc(F)n1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000792987971 1078042034 /nfs/dbraw/zinc/04/20/34/1078042034.db2.gz YQJFOZMGSWCWTC-CQSZACIVSA-N 1 1 410.371 2.569 20 0 HFADMO CN(C)C(=O)OC[C@H]1CCCCN1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000806224453 1079508157 /nfs/dbraw/zinc/50/81/57/1079508157.db2.gz ISJRHZUCWJSBIM-HXUWFJFHSA-N 1 1 418.538 2.646 20 0 HFADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000806254053 1079522191 /nfs/dbraw/zinc/52/21/91/1079522191.db2.gz YLSTUEXFDXOKIQ-SFTDATJTSA-N 1 1 401.551 2.651 20 0 HFADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000806254936 1079523403 /nfs/dbraw/zinc/52/34/03/1079523403.db2.gz XLMRPRIHAZBRGW-NJYVYQBISA-N 1 1 419.541 2.621 20 0 HFADMO COCC[S@](=O)Cc1cccc(NC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000806274868 1079536678 /nfs/dbraw/zinc/53/66/78/1079536678.db2.gz OTLFGEOFMNSXTA-LJAQVGFWSA-N 1 1 415.559 2.930 20 0 HFADMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000747324657 1079592501 /nfs/dbraw/zinc/59/25/01/1079592501.db2.gz CTNUNOQEFICEAY-OALUTQOASA-N 1 1 402.926 2.664 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000747325889 1079594537 /nfs/dbraw/zinc/59/45/37/1079594537.db2.gz QXULJQJGFYFOTG-VQTJNVASSA-N 1 1 403.486 2.527 20 0 HFADMO Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)c12 ZINC000747325398 1079600738 /nfs/dbraw/zinc/60/07/38/1079600738.db2.gz IRELCGOMKNDRIR-MSOLQXFVSA-N 1 1 405.502 2.537 20 0 HFADMO Cc1ccc2nc(COc3cccc(C(=O)NC[C@H]4C[N@H+]5CCC[C@@H]5CO4)c3)cn2c1 ZINC000747326641 1079631238 /nfs/dbraw/zinc/63/12/38/1079631238.db2.gz TYQHMUDCIIJBAG-IRLDBZIGSA-N 1 1 420.513 2.815 20 0 HFADMO CCc1ccc(N2CCN(C(=O)NC3CC[NH+](CCN(C)C)CC3)CC2)cc1Cl ZINC000806371808 1079659870 /nfs/dbraw/zinc/65/98/70/1079659870.db2.gz NOPGQVUIKAOZKB-UHFFFAOYSA-N 1 1 422.017 2.760 20 0 HFADMO O=C(Nc1ccnn1CC1CC1)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000806436119 1079682615 /nfs/dbraw/zinc/68/26/15/1079682615.db2.gz CHYCOZFEPOBJPV-NRFANRHFSA-N 1 1 408.550 2.717 20 0 HFADMO C[C@@H](NC(=O)N(C)CCC[N@@H+](C)Cc1ccco1)c1cccc(NS(C)(=O)=O)c1 ZINC000806472819 1079703919 /nfs/dbraw/zinc/70/39/19/1079703919.db2.gz MSSZMBCRMDNHIK-MRXNPFEDSA-N 1 1 422.551 2.876 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)c2ccccc2OC2CC2)CC1 ZINC000806499659 1079751007 /nfs/dbraw/zinc/75/10/07/1079751007.db2.gz RJWZYXGHXTURSI-UHFFFAOYSA-N 1 1 403.523 2.900 20 0 HFADMO COCN1C(=O)CCc2cc(NC(=O)N3CC([N@@H+](C)Cc4ccccc4)C3)ccc21 ZINC000806502979 1079753876 /nfs/dbraw/zinc/75/38/76/1079753876.db2.gz PKUBBQIGMHWPIY-UHFFFAOYSA-N 1 1 408.502 2.918 20 0 HFADMO O=C([C@H]1CCCN1C(=O)C(F)(F)F)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000806508491 1079757770 /nfs/dbraw/zinc/75/77/70/1079757770.db2.gz MNEHCLQUHRFKMQ-GOSISDBHSA-N 1 1 409.452 2.589 20 0 HFADMO C[C@H](NC(=O)NCCS(=O)(=O)Cc1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000806538763 1079776670 /nfs/dbraw/zinc/77/66/70/1079776670.db2.gz SPSNVVMCPXIRAI-FXAWDEMLSA-N 1 1 403.548 2.592 20 0 HFADMO C[C@@H](NC(=O)NCCS(=O)(=O)Cc1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000806538765 1079776804 /nfs/dbraw/zinc/77/68/04/1079776804.db2.gz SPSNVVMCPXIRAI-XLIONFOSSA-N 1 1 403.548 2.592 20 0 HFADMO O=C(c1csc(COc2ccc(F)cc2)n1)N1CC[NH+](C2CCOCC2)CC1 ZINC000747334845 1079787203 /nfs/dbraw/zinc/78/72/03/1079787203.db2.gz VDZUYDPJKUZRMF-UHFFFAOYSA-N 1 1 405.495 2.798 20 0 HFADMO C[C@H]1[C@H](NC(=O)NCCS(=O)(=O)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000806538258 1079809348 /nfs/dbraw/zinc/80/93/48/1079809348.db2.gz BEAQPZLWFSTYBL-GHTZIAJQSA-N 1 1 415.559 2.564 20 0 HFADMO C[C@H]1[C@H](NC(=O)NCCS(=O)(=O)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000806538258 1079809372 /nfs/dbraw/zinc/80/93/72/1079809372.db2.gz BEAQPZLWFSTYBL-GHTZIAJQSA-N 1 1 415.559 2.564 20 0 HFADMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2c(C)[nH]nc2Br)CC1 ZINC001137636341 1079869671 /nfs/dbraw/zinc/86/96/71/1079869671.db2.gz SFRCHIPYFNYVSE-UHFFFAOYSA-N 1 1 401.349 2.691 20 0 HFADMO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747341877 1079875339 /nfs/dbraw/zinc/87/53/39/1079875339.db2.gz INNACQQYFUUEQX-IAGOWNOFSA-N 1 1 406.889 2.625 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000747341321 1079878412 /nfs/dbraw/zinc/87/84/12/1079878412.db2.gz FLLXIEAKPZAPQL-PCCBWWKXSA-N 1 1 421.541 2.671 20 0 HFADMO O=C(NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)[C@H]1CCCC12OCCO2 ZINC000806739406 1079931009 /nfs/dbraw/zinc/93/10/09/1079931009.db2.gz CZIDHICCSMZPFJ-HXUWFJFHSA-N 1 1 411.502 2.965 20 0 HFADMO C[NH+](C)CCn1ncc(C(=O)NCc2n[nH]c(-c3ccccc3)n2)c1-c1ccccc1 ZINC000806727912 1079952456 /nfs/dbraw/zinc/95/24/56/1079952456.db2.gz DSOVFAIMGMLYAV-UHFFFAOYSA-N 1 1 415.501 2.827 20 0 HFADMO C[NH+](C)CCn1ncc(C(=O)NCc2nc(-c3ccccc3)n[nH]2)c1-c1ccccc1 ZINC000806727912 1079952458 /nfs/dbraw/zinc/95/24/58/1079952458.db2.gz DSOVFAIMGMLYAV-UHFFFAOYSA-N 1 1 415.501 2.827 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000806729335 1079952934 /nfs/dbraw/zinc/95/29/34/1079952934.db2.gz MHCKTXVUISFBDZ-XMSQKQJNSA-N 1 1 423.557 2.557 20 0 HFADMO CCOC(=O)c1ccc(C(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)nc1C ZINC001130733423 1079971958 /nfs/dbraw/zinc/97/19/58/1079971958.db2.gz QFBLAZFAWSYDQT-FGZHOGPDSA-N 1 1 423.513 2.682 20 0 HFADMO CC(C)C[N@@H+](C)CCCNC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC001130731101 1080003182 /nfs/dbraw/zinc/00/31/82/1080003182.db2.gz XVVAROJOSFYKBL-UHFFFAOYSA-N 1 1 404.374 2.677 20 0 HFADMO COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2ccc(OCCC[NH+]3CCN(C)CC3)cc2)C1 ZINC001130742357 1080006154 /nfs/dbraw/zinc/00/61/54/1080006154.db2.gz TULNEVXBVBSCSL-RTBURBONSA-N 1 1 417.550 2.621 20 0 HFADMO C[N@@H+]1CCN(C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)[C@H](Cc2ccccc2)C1 ZINC001130751069 1080020454 /nfs/dbraw/zinc/02/04/54/1080020454.db2.gz CKXXTEIHWMARFS-OAQYLSRUSA-N 1 1 404.514 2.550 20 0 HFADMO C[N@H+]1CCN(C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)[C@H](Cc2ccccc2)C1 ZINC001130751069 1080020460 /nfs/dbraw/zinc/02/04/60/1080020460.db2.gz CKXXTEIHWMARFS-OAQYLSRUSA-N 1 1 404.514 2.550 20 0 HFADMO C[N@@H+]1CCN(C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)[C@@H](Cc2ccccc2)C1 ZINC001130752113 1080022860 /nfs/dbraw/zinc/02/28/60/1080022860.db2.gz QFPXWWGVQUJAHE-SFHVURJKSA-N 1 1 412.921 2.869 20 0 HFADMO C[N@H+]1CCN(C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)[C@@H](Cc2ccccc2)C1 ZINC001130752113 1080022870 /nfs/dbraw/zinc/02/28/70/1080022870.db2.gz QFPXWWGVQUJAHE-SFHVURJKSA-N 1 1 412.921 2.869 20 0 HFADMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)/C=C/c1ccc(S(C)(=O)=O)o1 ZINC001130757293 1080042990 /nfs/dbraw/zinc/04/29/90/1080042990.db2.gz AHODWEJCSPOEGM-RNHKPAHNSA-N 1 1 400.500 2.839 20 0 HFADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000806834681 1080047037 /nfs/dbraw/zinc/04/70/37/1080047037.db2.gz FQADHEJMZUPWAQ-RBUKOAKNSA-N 1 1 418.582 2.641 20 0 HFADMO CCc1nc(C[NH+]2CCC(CNC(=O)c3cnc(C4OCCO4)s3)CC2)cs1 ZINC000806835414 1080048708 /nfs/dbraw/zinc/04/87/08/1080048708.db2.gz LTBLVXVDTKTCFJ-UHFFFAOYSA-N 1 1 422.576 2.849 20 0 HFADMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3ccc(C(N)=O)c(Cl)n3)c2)C[C@H](C)O1 ZINC000806891712 1080056773 /nfs/dbraw/zinc/05/67/73/1080056773.db2.gz BDZARZYPDTVCDJ-STQMWFEESA-N 1 1 402.882 2.695 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc(C(N)=O)c(Cl)n3)c2)C[C@H](C)O1 ZINC000806891710 1080056794 /nfs/dbraw/zinc/05/67/94/1080056794.db2.gz BDZARZYPDTVCDJ-BETUJISGSA-N 1 1 402.882 2.695 20 0 HFADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc(C(N)=O)c(Cl)n3)c2)C[C@H](C)O1 ZINC000806891710 1080056803 /nfs/dbraw/zinc/05/68/03/1080056803.db2.gz BDZARZYPDTVCDJ-BETUJISGSA-N 1 1 402.882 2.695 20 0 HFADMO C[N@@H+]1CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)C[C@H]1Cc1ccccc1 ZINC000806853098 1080058559 /nfs/dbraw/zinc/05/85/59/1080058559.db2.gz QIVCGHODBXWDRC-UXHICEINSA-N 1 1 416.566 2.858 20 0 HFADMO C[N@H+]1CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)C[C@H]1Cc1ccccc1 ZINC000806853098 1080058570 /nfs/dbraw/zinc/05/85/70/1080058570.db2.gz QIVCGHODBXWDRC-UXHICEINSA-N 1 1 416.566 2.858 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000806953776 1080163842 /nfs/dbraw/zinc/16/38/42/1080163842.db2.gz JNHGAPCYADPTEQ-OGWOLHLISA-N 1 1 413.440 2.786 20 0 HFADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)C1 ZINC000807003231 1080181804 /nfs/dbraw/zinc/18/18/04/1080181804.db2.gz ZAAVCVZVDWDFSE-NXOAAHMSSA-N 1 1 420.520 2.841 20 0 HFADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000807037832 1080227378 /nfs/dbraw/zinc/22/73/78/1080227378.db2.gz DDFZWQSZDYGGRL-NRFANRHFSA-N 1 1 412.534 2.934 20 0 HFADMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cc3ccc(C)nc3Cl)C2)cc(OC)c1 ZINC000807039366 1080230093 /nfs/dbraw/zinc/23/00/93/1080230093.db2.gz HXUHTLTYTIXWGW-QGZVFWFLSA-N 1 1 403.910 2.994 20 0 HFADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)Cc3ccc(C)nc3Cl)C2)cc(OC)c1 ZINC000807039366 1080230114 /nfs/dbraw/zinc/23/01/14/1080230114.db2.gz HXUHTLTYTIXWGW-QGZVFWFLSA-N 1 1 403.910 2.994 20 0 HFADMO CSCC[C@@H](C)NC(=O)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000807054574 1080237806 /nfs/dbraw/zinc/23/78/06/1080237806.db2.gz MLFLTGXYUXPIHE-GOSISDBHSA-N 1 1 403.592 2.759 20 0 HFADMO C[C@@H](C(=O)N1C[C@H]([NH+](C)C)CCc2ccccc21)S(=O)(=O)c1ccc(F)cc1 ZINC001130839745 1080265265 /nfs/dbraw/zinc/26/52/65/1080265265.db2.gz DUHZMFMJQORYKC-MAUKXSAKSA-N 1 1 404.507 2.898 20 0 HFADMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)C[C@@H]1C ZINC000807088469 1080266760 /nfs/dbraw/zinc/26/67/60/1080266760.db2.gz BXIFPHPFZJEXQV-DZFGPLHGSA-N 1 1 401.551 2.602 20 0 HFADMO CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000807092873 1080272023 /nfs/dbraw/zinc/27/20/23/1080272023.db2.gz XTQYEMJCNKKKJV-HXUWFJFHSA-N 1 1 401.551 2.603 20 0 HFADMO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)no1 ZINC000807113720 1080290399 /nfs/dbraw/zinc/29/03/99/1080290399.db2.gz IDLRPXHVIQWOJQ-PBEJRMEISA-N 1 1 410.518 2.673 20 0 HFADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N(C)CCc1ccccc1F ZINC000807114676 1080291599 /nfs/dbraw/zinc/29/15/99/1080291599.db2.gz YUSKBROQSIPJAQ-PGRDOPGGSA-N 1 1 411.521 2.853 20 0 HFADMO C[C@H]1C[C@H](CCNC(=O)c2ccc(C(N)=O)c(Cl)n2)C[N@H+]1Cc1ccccc1 ZINC000807149641 1080307064 /nfs/dbraw/zinc/30/70/64/1080307064.db2.gz CKWUYDKRXLUGIZ-HOCLYGCPSA-N 1 1 400.910 2.864 20 0 HFADMO CC[N@@H+](CCC1CCN(C(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)CC1)CC1CC1 ZINC000807188530 1080337711 /nfs/dbraw/zinc/33/77/11/1080337711.db2.gz VWWQTGXMUCFZLY-KRWDZBQOSA-N 1 1 403.489 2.900 20 0 HFADMO C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)[C@H]3CCCC34OCCO4)cc2)C[C@H]1C ZINC000807193436 1080342976 /nfs/dbraw/zinc/34/29/76/1080342976.db2.gz QYXARTVRPKIIPZ-XQBPLPMBSA-N 1 1 416.562 2.855 20 0 HFADMO CNC(=O)CC[C@H]1CCCCN1C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000807204114 1080350302 /nfs/dbraw/zinc/35/03/02/1080350302.db2.gz VSMOBODFIWLVMX-NFBKMPQASA-N 1 1 400.567 2.989 20 0 HFADMO C[N@H+]1CCN(CCNC(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)CC1(C)C ZINC000807207823 1080357124 /nfs/dbraw/zinc/35/71/24/1080357124.db2.gz AREMDPPGUZQZON-QHCPKHFHSA-N 1 1 424.589 2.958 20 0 HFADMO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000807178136 1080368733 /nfs/dbraw/zinc/36/87/33/1080368733.db2.gz JZPWYRNGBIDUQC-OALUTQOASA-N 1 1 420.579 2.524 20 0 HFADMO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000807178136 1080368743 /nfs/dbraw/zinc/36/87/43/1080368743.db2.gz JZPWYRNGBIDUQC-OALUTQOASA-N 1 1 420.579 2.524 20 0 HFADMO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000747389550 1080475165 /nfs/dbraw/zinc/47/51/65/1080475165.db2.gz JSSCCLHGNUZGBF-KRWDZBQOSA-N 1 1 415.563 2.718 20 0 HFADMO Cc1cc2c(cc1C)N(C(=O)C(=O)Nc1ccc(CC[NH+]3CCOCC3)cc1)CC2 ZINC000807309962 1080503177 /nfs/dbraw/zinc/50/31/77/1080503177.db2.gz YSVBSDDMIAXSEK-UHFFFAOYSA-N 1 1 407.514 2.706 20 0 HFADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)[C@H](C)C1 ZINC000807318105 1080511567 /nfs/dbraw/zinc/51/15/67/1080511567.db2.gz GBPWMSIBXLFUMD-MRXNPFEDSA-N 1 1 412.559 2.802 20 0 HFADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)[C@H](C)C1 ZINC000807318105 1080511572 /nfs/dbraw/zinc/51/15/72/1080511572.db2.gz GBPWMSIBXLFUMD-MRXNPFEDSA-N 1 1 412.559 2.802 20 0 HFADMO COCc1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000807355174 1080516281 /nfs/dbraw/zinc/51/62/81/1080516281.db2.gz ODTWCAOSQAVINW-XMMPIXPASA-N 1 1 407.514 2.896 20 0 HFADMO C[NH+](C)Cc1ccc(NC(=O)c2ccc(C(N)=O)c(Cl)n2)cc1Br ZINC000807357023 1080518917 /nfs/dbraw/zinc/51/89/17/1080518917.db2.gz TZTABXVJGWZXRF-UHFFFAOYSA-N 1 1 411.687 2.910 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C(=O)OCc2ccccc2)c1 ZINC000807394365 1080560644 /nfs/dbraw/zinc/56/06/44/1080560644.db2.gz KOLYRLGPNJERQX-NRFANRHFSA-N 1 1 423.513 2.973 20 0 HFADMO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCc3cccc(NC(=O)OC)c3)c2C1 ZINC000807365163 1080564983 /nfs/dbraw/zinc/56/49/83/1080564983.db2.gz NJGLCQFINHFZAZ-UHFFFAOYSA-N 1 1 410.474 2.845 20 0 HFADMO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCc3cccc(NC(=O)OC)c3)c2C1 ZINC000807365163 1080564994 /nfs/dbraw/zinc/56/49/94/1080564994.db2.gz NJGLCQFINHFZAZ-UHFFFAOYSA-N 1 1 410.474 2.845 20 0 HFADMO CNC(=O)Oc1cccc(OC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC001130932627 1080578750 /nfs/dbraw/zinc/57/87/50/1080578750.db2.gz NMSALWBVWGYGET-MOPGFXCFSA-N 1 1 400.479 2.558 20 0 HFADMO Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000807384098 1080579121 /nfs/dbraw/zinc/57/91/21/1080579121.db2.gz XRLZSPJBPPXERJ-UHFFFAOYSA-N 1 1 407.518 2.975 20 0 HFADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)C1CCCCCCC1 ZINC000807450591 1080631495 /nfs/dbraw/zinc/63/14/95/1080631495.db2.gz LJULRLSQWHWLFX-HXUWFJFHSA-N 1 1 414.594 2.885 20 0 HFADMO CN(C(=O)C(=O)NCC[C@@](C)(O)c1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000807498868 1080696147 /nfs/dbraw/zinc/69/61/47/1080696147.db2.gz ZAXLGRLBEIIIJT-RCZVLFRGSA-N 1 1 423.557 2.523 20 0 HFADMO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N(C)CC(F)(F)Br)c2C1 ZINC000807530009 1080742690 /nfs/dbraw/zinc/74/26/90/1080742690.db2.gz OQUOZYRRCCHLLW-UHFFFAOYSA-N 1 1 404.255 2.797 20 0 HFADMO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N(C)CC(F)(F)Br)c2C1 ZINC000807530009 1080742696 /nfs/dbraw/zinc/74/26/96/1080742696.db2.gz OQUOZYRRCCHLLW-UHFFFAOYSA-N 1 1 404.255 2.797 20 0 HFADMO CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000807543692 1080760345 /nfs/dbraw/zinc/76/03/45/1080760345.db2.gz RGHQNAZGGRWRSO-JXFKEZNVSA-N 1 1 424.501 2.973 20 0 HFADMO Cc1cccc(F)c1CNC(=O)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000807519904 1080772956 /nfs/dbraw/zinc/77/29/56/1080772956.db2.gz SUPZIAUKWFBVCF-UHFFFAOYSA-N 1 1 411.521 2.917 20 0 HFADMO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC001176589213 1126149892 /nfs/dbraw/zinc/14/98/92/1126149892.db2.gz VNTGLQHFYMKGOW-FQEVSTJZSA-N 1 1 400.433 2.559 20 0 HFADMO COC(=O)c1cnc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC001182880314 1126153134 /nfs/dbraw/zinc/15/31/34/1126153134.db2.gz FFZPRHHYMMAKCG-KRWDZBQOSA-N 1 1 411.321 2.702 20 0 HFADMO C[NH+]1CCC(Oc2ccnc(N3CCO[C@@H]4[C@H](OCc5ccncc5)CC[C@H]43)c2)CC1 ZINC001164655113 719295242 /nfs/dbraw/zinc/29/52/42/719295242.db2.gz SGZWEKXWFRAMJG-AKFKNWHVSA-N 1 1 424.545 2.903 20 0 HFADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(SC)nc2ccccc21 ZINC001164701862 719857189 /nfs/dbraw/zinc/85/71/89/719857189.db2.gz LGJDOERHQUSRAU-YCRPNKLZSA-N 1 1 416.547 2.584 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cnc3cc(OC)c(OC)cc3n1)C2 ZINC001164807029 720109514 /nfs/dbraw/zinc/10/95/14/720109514.db2.gz ANAWYHMUBUACED-GAJHUEQPSA-N 1 1 412.534 2.832 20 0 HFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(Cl)[n+]1[O-])CC2 ZINC001164714854 720112289 /nfs/dbraw/zinc/11/22/89/720112289.db2.gz COQKUTLAZSOXQO-SFHVURJKSA-N 1 1 402.926 2.876 20 0 HFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(Cl)[n+]1[O-])CC2 ZINC001164714852 720113145 /nfs/dbraw/zinc/11/31/45/720113145.db2.gz COQKUTLAZSOXQO-GOSISDBHSA-N 1 1 402.926 2.876 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C(=O)N(C)OC)cc(Cl)n1)C2 ZINC001164816503 720121470 /nfs/dbraw/zinc/12/14/70/720121470.db2.gz ZKCLMNSIXAOWGV-UTKZUKDTSA-N 1 1 422.957 2.553 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(OC)cc(OC)c31)C2 ZINC001164807403 720125740 /nfs/dbraw/zinc/12/57/40/720125740.db2.gz CGHPLMDRIBSUKU-SBUREZEXSA-N 1 1 412.534 2.832 20 0 HFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3[nH]c(C)nc3n1)CC2 ZINC001164713104 720130008 /nfs/dbraw/zinc/13/00/08/720130008.db2.gz QYOHZPYJFIXKQF-SFHVURJKSA-N 1 1 407.522 2.515 20 0 HFADMO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3nc(C)[nH]c3n1)CC2 ZINC001164713104 720130011 /nfs/dbraw/zinc/13/00/11/720130011.db2.gz QYOHZPYJFIXKQF-SFHVURJKSA-N 1 1 407.522 2.515 20 0 HFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3nc(C)[nH]c3n1)CC2 ZINC001164713104 720130018 /nfs/dbraw/zinc/13/00/18/720130018.db2.gz QYOHZPYJFIXKQF-SFHVURJKSA-N 1 1 407.522 2.515 20 0 HFADMO CCn1cnc2c1ncnc2N1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164710456 720143480 /nfs/dbraw/zinc/14/34/80/720143480.db2.gz BQBIOQIRXQKFAS-LJQANCHMSA-N 1 1 421.549 2.749 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nnc1OC)C2 ZINC001164811416 720200198 /nfs/dbraw/zinc/20/01/98/720200198.db2.gz HEEVJYMACMBBRA-RDTXWAMCSA-N 1 1 416.900 2.868 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)C2 ZINC001164815459 720202421 /nfs/dbraw/zinc/20/24/21/720202421.db2.gz ZPWFJMODFSQJJP-FUHWJXTLSA-N 1 1 401.885 2.703 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4ccccc43)C2)C1 ZINC001164720123 720207980 /nfs/dbraw/zinc/20/79/80/720207980.db2.gz WGZXISQVHKDCNL-OAQYLSRUSA-N 1 1 402.926 2.553 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4ccccc43)C2)C1 ZINC001164720123 720207992 /nfs/dbraw/zinc/20/79/92/720207992.db2.gz WGZXISQVHKDCNL-OAQYLSRUSA-N 1 1 402.926 2.553 20 0 HFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccnc(-c3ccccc3)n1)CCC2 ZINC001164813467 720214582 /nfs/dbraw/zinc/21/45/82/720214582.db2.gz PWZHXXZZJFPANF-UHFFFAOYSA-N 1 1 404.518 2.951 20 0 HFADMO C=Cc1nc(Cl)nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1OC ZINC001164813826 720235080 /nfs/dbraw/zinc/23/50/80/720235080.db2.gz PPEIPXMYZOWCBT-UHFFFAOYSA-N 1 1 418.929 2.589 20 0 HFADMO Cc1nc(-c2ccncc2)cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164813340 720240567 /nfs/dbraw/zinc/24/05/67/720240567.db2.gz NCBDFBDLJFDPQY-UHFFFAOYSA-N 1 1 419.533 2.654 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C)c4ccc(Cl)cc4n3)C2)C1 ZINC001164720061 720263928 /nfs/dbraw/zinc/26/39/28/720263928.db2.gz QWWSTZGCUZTQOJ-QFIPXVFZSA-N 1 1 416.953 2.861 20 0 HFADMO 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KTPXMAADUPRKID-LEWJYISDSA-N 1 1 404.518 2.747 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc(-c5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164765658 721109143 /nfs/dbraw/zinc/10/91/43/721109143.db2.gz JYNIDVQMRGTITF-ZWKOTPCHSA-N 1 1 409.925 2.884 20 0 HFADMO COC(=O)c1cc2ccccc2nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164863469 721111357 /nfs/dbraw/zinc/11/13/57/721111357.db2.gz CIKRKHNFOAHZLN-WOJBJXKFSA-N 1 1 418.497 2.896 20 0 HFADMO COc1ccc2nc(Cl)cc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c2n1 ZINC001164765679 721143175 /nfs/dbraw/zinc/14/31/75/721143175.db2.gz KBJQVIUKBXVWBG-HOTGVXAUSA-N 1 1 412.925 2.984 20 0 HFADMO CCOC(=O)c1cnc(Cl)c(C)c1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164762077 721148058 /nfs/dbraw/zinc/14/80/58/721148058.db2.gz BUIVBDYFNYJIQY-SJORKVTESA-N 1 1 417.941 2.912 20 0 HFADMO c1ccc(Cc2nccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164880334 721160785 /nfs/dbraw/zinc/16/07/85/721160785.db2.gz VYUPBXJVGLFCPN-VXKWHMMOSA-N 1 1 401.514 2.942 20 0 HFADMO c1ccc(Cc2nccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164880331 721161168 /nfs/dbraw/zinc/16/11/68/721161168.db2.gz VYUPBXJVGLFCPN-FGZHOGPDSA-N 1 1 401.514 2.942 20 0 HFADMO COC(=O)c1cccc2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)ccc21 ZINC001164869792 721168920 /nfs/dbraw/zinc/16/89/20/721168920.db2.gz BPZUQZKSMDHWQJ-RBUKOAKNSA-N 1 1 418.497 2.896 20 0 HFADMO COC(=O)c1cc(Cl)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1C ZINC001164873667 721183000 /nfs/dbraw/zinc/18/30/00/721183000.db2.gz JWRAIRQWAPNGLO-DLBZAZTESA-N 1 1 416.909 2.705 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4nc5ccc(Cl)nc5[nH]4)C[C@H]3C2)cn1 ZINC001164770825 721212299 /nfs/dbraw/zinc/21/22/99/721212299.db2.gz ORRSYWAZJRXSEC-UONOGXRCSA-N 1 1 421.883 2.848 20 0 HFADMO CCS(=O)(=O)c1cc(C(F)(F)N2CC3(C2)CC[N@@H+](CC2CC2)C3)cnc1Cl ZINC001164775064 721304065 /nfs/dbraw/zinc/30/40/65/721304065.db2.gz NTSBZDBVMYQJQV-UHFFFAOYSA-N 1 1 419.925 2.996 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4c3ccn4C)C2)C1 ZINC001164776405 721337968 /nfs/dbraw/zinc/33/79/68/721337968.db2.gz FFMGEYVBRXZVPA-QFIPXVFZSA-N 1 1 410.522 2.692 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc4c(n3)CCCN4)C2)C1 ZINC001164777169 721350278 /nfs/dbraw/zinc/35/02/78/721350278.db2.gz DWEHWQCXLXMSKG-QFIPXVFZSA-N 1 1 412.538 2.559 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc4c(n3)CCCN4)C2)C1 ZINC001164777169 721350280 /nfs/dbraw/zinc/35/02/80/721350280.db2.gz DWEHWQCXLXMSKG-QFIPXVFZSA-N 1 1 412.538 2.559 20 0 HFADMO CSc1cnc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164783815 721356456 /nfs/dbraw/zinc/35/64/56/721356456.db2.gz PSYRMROUWCYTSU-HXUWFJFHSA-N 1 1 403.552 2.922 20 0 HFADMO CSc1cnc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164783815 721356460 /nfs/dbraw/zinc/35/64/60/721356460.db2.gz PSYRMROUWCYTSU-HXUWFJFHSA-N 1 1 403.552 2.922 20 0 HFADMO Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc(C[NH+](C)C)ccn3)C2)C1 ZINC001164784114 721370750 /nfs/dbraw/zinc/37/07/50/721370750.db2.gz QLYWYIBTKVTXAC-HSZRJFAPSA-N 1 1 413.566 2.867 20 0 HFADMO Cc1nc2sccc2c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164888594 721379264 /nfs/dbraw/zinc/37/92/64/721379264.db2.gz KHBRPCLDRQNONH-DYESRHJHSA-N 1 1 401.580 2.765 20 0 HFADMO CSc1nc(Cl)ncc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164886341 721411366 /nfs/dbraw/zinc/41/13/66/721411366.db2.gz JCZVZOWCARBDFN-DNVCBOLYSA-N 1 1 412.003 2.617 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN([C@H](F)Oc4cccc(Cl)n4)C3)O2)CC1 ZINC001164887728 721412093 /nfs/dbraw/zinc/41/20/93/721412093.db2.gz MSJSULUANDIEAH-FFZOFVMBSA-N 1 1 412.937 2.628 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)cc(C5CC5)n4)C3)O2)CC1 ZINC001164883487 721414259 /nfs/dbraw/zinc/41/42/59/721414259.db2.gz ACSPWRQXUHEJSN-DYESRHJHSA-N 1 1 405.974 2.773 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5[nH]c6ccccc6c54)C3)O2)CC1 ZINC001164892502 721417165 /nfs/dbraw/zinc/41/71/65/721417165.db2.gz YPECOUBUILWDML-HOYKHHGWSA-N 1 1 420.561 2.877 20 0 HFADMO COC(=O)/C=C/c1cc2cc[nH]c2c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164785521 721420990 /nfs/dbraw/zinc/42/09/90/721420990.db2.gz NDHQGSWPMYZVBH-HNQCBELMSA-N 1 1 409.515 2.774 20 0 HFADMO COC(=O)/C=C/c1cc2cc[nH]c2c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164785521 721420991 /nfs/dbraw/zinc/42/09/91/721420991.db2.gz NDHQGSWPMYZVBH-HNQCBELMSA-N 1 1 409.515 2.774 20 0 HFADMO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164781809 721421592 /nfs/dbraw/zinc/42/15/92/721421592.db2.gz FGKGSZAYAJEMSO-UWVGGRQHSA-N 1 1 403.911 2.988 20 0 HFADMO COC(=O)c1nc(Cl)c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c(Cl)n1 ZINC001164785780 721437884 /nfs/dbraw/zinc/43/78/84/721437884.db2.gz OFOBXYLIFDAWLP-UWVGGRQHSA-N 1 1 414.318 2.595 20 0 HFADMO NC(=S)c1cnc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c2sccc21 ZINC001164788110 721439149 /nfs/dbraw/zinc/43/91/49/721439149.db2.gz YZTGFGXBRQDUPE-RYUDHWBXSA-N 1 1 401.586 2.955 20 0 HFADMO CCCSc1cncc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164893693 721439790 /nfs/dbraw/zinc/43/97/90/721439790.db2.gz JYUSHUCPSNRPDL-WIYYLYMNSA-N 1 1 405.612 2.744 20 0 HFADMO Cc1ccc(-c2ccc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nn2)o1 ZINC001164889583 721441442 /nfs/dbraw/zinc/44/14/42/721441442.db2.gz BXAGXWVODVBQMA-XXBNENTESA-N 1 1 411.550 2.810 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(NC3CC3)n1)CC2 ZINC001164790378 721448640 /nfs/dbraw/zinc/44/86/40/721448640.db2.gz YPSHGOQSECEGHR-HXUWFJFHSA-N 1 1 415.582 2.785 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccnc(SC)n1)CC2 ZINC001164783280 721450862 /nfs/dbraw/zinc/45/08/62/721450862.db2.gz BECDFJKHBSBDBJ-GOSISDBHSA-N 1 1 406.596 2.932 20 0 HFADMO O=C(C[C@]12COC[C@@H]1CN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2)NCC1CC1 ZINC001164893884 721482428 /nfs/dbraw/zinc/48/24/28/721482428.db2.gz FNJGNMFXCJLRQQ-AVRDEDQJSA-N 1 1 418.969 2.700 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3COC[C@@]3(CC(=O)NCC3CC3)C2)nc1 ZINC001164894322 721484425 /nfs/dbraw/zinc/48/44/25/721484425.db2.gz HHBOKVJNVTZUDA-YZUZCNPQSA-N 1 1 412.578 2.998 20 0 HFADMO Cc1cc2c(c(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)n1)C(=O)NC2=O ZINC001164796268 721499444 /nfs/dbraw/zinc/49/94/44/721499444.db2.gz OYWKYAWXXYQABB-UHFFFAOYSA-N 1 1 405.502 2.550 20 0 HFADMO CNC(=O)c1cc(Cl)nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164794501 721504231 /nfs/dbraw/zinc/50/42/31/721504231.db2.gz ADUBFWPRWWDIEV-UHFFFAOYSA-N 1 1 414.941 2.766 20 0 HFADMO CCOC(=O)c1cnc(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900117 721511045 /nfs/dbraw/zinc/51/10/45/721511045.db2.gz OFVGJCWIIXBDCF-ZBFHGGJFSA-N 1 1 420.872 2.788 20 0 HFADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4ncnc5cc6c(cc54)OCCO6)CC[N@H+]3C2)c1 ZINC001164902154 721519181 /nfs/dbraw/zinc/51/91/81/721519181.db2.gz ZRDTXIWMTOVVDH-WMZOPIPTSA-N 1 1 422.460 2.882 20 0 HFADMO CCOC(=O)c1ccc(C)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164794473 721523854 /nfs/dbraw/zinc/52/38/54/721523854.db2.gz DTMYILJUYIAZBM-ACRUOGEOSA-N 1 1 410.518 2.830 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)ncn2)[C@@H]2CCCO[C@H]12 ZINC001164795157 721523877 /nfs/dbraw/zinc/52/38/77/721523877.db2.gz KOMGWIYASUMQDY-RKVPGOIHSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)ncn2)[C@@H]2CCCO[C@H]12 ZINC001164795157 721523880 /nfs/dbraw/zinc/52/38/80/721523880.db2.gz KOMGWIYASUMQDY-RKVPGOIHSA-N 1 1 409.868 2.938 20 0 HFADMO Cc1cc(N2CCCC2)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164796191 721524098 /nfs/dbraw/zinc/52/40/98/721524098.db2.gz XQCVKAJWXNEDMU-RZUBCFFCSA-N 1 1 408.550 2.648 20 0 HFADMO Cc1cc(N2CCCC2)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164796191 721524101 /nfs/dbraw/zinc/52/41/01/721524101.db2.gz XQCVKAJWXNEDMU-RZUBCFFCSA-N 1 1 408.550 2.648 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)ncn2)[C@H]2CCCO[C@H]12 ZINC001164795153 721524119 /nfs/dbraw/zinc/52/41/19/721524119.db2.gz KOMGWIYASUMQDY-DAYGRLMNSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)ncn2)[C@H]2CCCO[C@H]12 ZINC001164795153 721524120 /nfs/dbraw/zinc/52/41/20/721524120.db2.gz KOMGWIYASUMQDY-DAYGRLMNSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)N2CCCC2)[C@@H]2CCCO[C@H]12 ZINC001164795643 721524757 /nfs/dbraw/zinc/52/47/57/721524757.db2.gz PZYWEDJQTWMPEE-VSKRKVRLSA-N 1 1 421.545 2.581 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)N2CCCC2)[C@@H]2CCCO[C@H]12 ZINC001164795643 721524761 /nfs/dbraw/zinc/52/47/61/721524761.db2.gz PZYWEDJQTWMPEE-VSKRKVRLSA-N 1 1 421.545 2.581 20 0 HFADMO COC(=O)c1c(Cl)ccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164805990 721531032 /nfs/dbraw/zinc/53/10/32/721531032.db2.gz NESAZYHPXRMCQB-AOIWGVFYSA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1c(Cl)ccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164805990 721531034 /nfs/dbraw/zinc/53/10/34/721531034.db2.gz NESAZYHPXRMCQB-AOIWGVFYSA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ncc1Cl ZINC001164803831 721531276 /nfs/dbraw/zinc/53/12/76/721531276.db2.gz JJNITTYNCMEZCJ-WSTZPKSXSA-N 1 1 416.909 2.785 20 0 HFADMO COCc1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(SC)n1 ZINC001164909232 721532259 /nfs/dbraw/zinc/53/22/59/721532259.db2.gz QZJSVSQBJQJFHV-FUHWJXTLSA-N 1 1 404.511 2.826 20 0 HFADMO CC(C)(C)C(=O)Nc1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1 ZINC001164912351 721532887 /nfs/dbraw/zinc/53/28/87/721532887.db2.gz YZUWCPSIEGBXOX-SJLPKXTDSA-N 1 1 413.497 2.942 20 0 HFADMO O=c1cc2[nH]c(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c(Cl)cc-2[nH]1 ZINC001164905189 721536631 /nfs/dbraw/zinc/53/66/31/721536631.db2.gz GJQWQAOVPVMOLS-HIFRSBDPSA-N 1 1 402.857 2.711 20 0 HFADMO CCOC(=O)c1cc(C)cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164805989 721537263 /nfs/dbraw/zinc/53/72/63/721537263.db2.gz NEFJPCKNPBBXTM-URVUXULASA-N 1 1 410.518 2.830 20 0 HFADMO CCOC(=O)c1cc(C)cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164805986 721537801 /nfs/dbraw/zinc/53/78/01/721537801.db2.gz NEFJPCKNPBBXTM-JAXLGGSGSA-N 1 1 410.518 2.830 20 0 HFADMO COCCn1ccc2c1ncnc2N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906408 721538262 /nfs/dbraw/zinc/53/82/62/721538262.db2.gz KZSAJSCXCBYYEK-PKOBYXMFSA-N 1 1 411.481 2.559 20 0 HFADMO COCCn1ccc2c1ncnc2N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906405 721538452 /nfs/dbraw/zinc/53/84/52/721538452.db2.gz KZSAJSCXCBYYEK-HKUYNNGSSA-N 1 1 411.481 2.559 20 0 HFADMO Cc1nc2nc(Cl)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2[nH]1 ZINC001164800649 721543052 /nfs/dbraw/zinc/54/30/52/721543052.db2.gz CYFPESZBOQYJTC-HLLBOEOZSA-N 1 1 413.913 2.578 20 0 HFADMO Cc1nc2nc(Cl)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2[nH]1 ZINC001164800649 721543055 /nfs/dbraw/zinc/54/30/55/721543055.db2.gz CYFPESZBOQYJTC-HLLBOEOZSA-N 1 1 413.913 2.578 20 0 HFADMO CCOc1nc(Cl)cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164807837 721544084 /nfs/dbraw/zinc/54/40/84/721544084.db2.gz RNIYIMDVCLITSU-BXWFABGCSA-N 1 1 403.914 2.792 20 0 HFADMO CCOc1nc(Cl)cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164807837 721544087 /nfs/dbraw/zinc/54/40/87/721544087.db2.gz RNIYIMDVCLITSU-BXWFABGCSA-N 1 1 403.914 2.792 20 0 HFADMO Cc1nc2c(nc(Cl)nc2N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1C ZINC001164905299 721550906 /nfs/dbraw/zinc/55/09/06/721550906.db2.gz GMVZMRGVRRJRIM-GOEBONIOSA-N 1 1 416.888 2.806 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(NC(=O)C(C)(C)C)nn2)[C@H]2CCCO[C@H]12 ZINC001164799570 721553410 /nfs/dbraw/zinc/55/34/10/721553410.db2.gz CNJPKFYTZSQGKL-UEXGIBASSA-N 1 1 424.549 2.724 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(NC(=O)C(C)(C)C)nn2)[C@H]2CCCO[C@H]12 ZINC001164799570 721553414 /nfs/dbraw/zinc/55/34/14/721553414.db2.gz CNJPKFYTZSQGKL-UEXGIBASSA-N 1 1 424.549 2.724 20 0 HFADMO CN(C)C(=O)c1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1 ZINC001164907573 721555626 /nfs/dbraw/zinc/55/56/26/721555626.db2.gz OOTLUBPQIIWABX-FUHWJXTLSA-N 1 1 418.900 2.918 20 0 HFADMO COC(=O)c1ccc(Cl)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164800841 721558972 /nfs/dbraw/zinc/55/89/72/721558972.db2.gz FQVOBVMCFHGYMT-FHWLQOOXSA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1ccc(Cl)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164800841 721558974 /nfs/dbraw/zinc/55/89/74/721558974.db2.gz FQVOBVMCFHGYMT-FHWLQOOXSA-N 1 1 416.909 2.785 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(Cl)cnc32)[C@@H]2CCCO[C@H]21 ZINC001164810569 721561549 /nfs/dbraw/zinc/56/15/49/721561549.db2.gz YTMRBBGVPLMQAA-QWFCFKBJSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(Cl)cnc32)[C@@H]2CCCO[C@H]21 ZINC001164810569 721561551 /nfs/dbraw/zinc/56/15/51/721561551.db2.gz YTMRBBGVPLMQAA-QWFCFKBJSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(Cl)cnc32)[C@@H]2CCCO[C@H]12 ZINC001164810561 721562163 /nfs/dbraw/zinc/56/21/63/721562163.db2.gz YTMRBBGVPLMQAA-GGPKGHCWSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(Cl)cnc32)[C@@H]2CCCO[C@H]12 ZINC001164810561 721562165 /nfs/dbraw/zinc/56/21/65/721562165.db2.gz YTMRBBGVPLMQAA-GGPKGHCWSA-N 1 1 410.909 2.941 20 0 HFADMO COC(OC)c1cc(C)cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164807306 721570342 /nfs/dbraw/zinc/57/03/42/721570342.db2.gz SOYSFHUCQNFGCV-ACRUOGEOSA-N 1 1 412.534 2.945 20 0 HFADMO CC(C)n1cnc2cnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc21 ZINC001164800063 721578572 /nfs/dbraw/zinc/57/85/72/721578572.db2.gz BNTSUCSCNROQLE-HSALFYBXSA-N 1 1 407.522 2.670 20 0 HFADMO CC(C)n1cnc2cnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc21 ZINC001164800063 721578575 /nfs/dbraw/zinc/57/85/75/721578575.db2.gz BNTSUCSCNROQLE-HSALFYBXSA-N 1 1 407.522 2.670 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccncc3)nn2)[C@@H]2CCCO[C@H]12 ZINC001164810826 721583420 /nfs/dbraw/zinc/58/34/20/721583420.db2.gz WGXPDZNXEPTJPN-XPNTWCBSSA-N 1 1 402.502 2.802 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccncc3)nn2)[C@@H]2CCCO[C@H]12 ZINC001164810826 721583424 /nfs/dbraw/zinc/58/34/24/721583424.db2.gz WGXPDZNXEPTJPN-XPNTWCBSSA-N 1 1 402.502 2.802 20 0 HFADMO COC(=O)Cc1cccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905993 721701468 /nfs/dbraw/zinc/70/14/68/721701468.db2.gz KUQGUUPICAAQLU-NRFANRHFSA-N 1 1 416.472 2.930 20 0 HFADMO O=C1COc2nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)ccc2N1 ZINC001164907845 721703982 /nfs/dbraw/zinc/70/39/82/721703982.db2.gz UTWNJHYPVKSCDW-HXUWFJFHSA-N 1 1 415.444 2.545 20 0 HFADMO O=C1COc2ccnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2N1 ZINC001164908717 721706651 /nfs/dbraw/zinc/70/66/51/721706651.db2.gz YTGXIBLRPFSWLU-HXUWFJFHSA-N 1 1 415.444 2.545 20 0 HFADMO FC1(F)CCN(c2cc3c(nn2)CCOC3)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164913115 721733486 /nfs/dbraw/zinc/73/34/86/721733486.db2.gz TUTMUHQWSYTTHZ-FQEVSTJZSA-N 1 1 401.461 2.682 20 0 HFADMO Cc1cc(C(F)(F)N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc(Cl)n1 ZINC001165010608 721734654 /nfs/dbraw/zinc/73/46/54/721734654.db2.gz GTENJIONATZKSC-UHFFFAOYSA-N 1 1 401.889 2.506 20 0 HFADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)COc2ccnc(Cl)c2)CC1 ZINC001165010653 721736554 /nfs/dbraw/zinc/73/65/54/721736554.db2.gz IUUPOWJSWJKGIH-UHFFFAOYSA-N 1 1 416.900 2.725 20 0 HFADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3c(n1)NC(=O)CO3)C2 ZINC001164910105 721756344 /nfs/dbraw/zinc/75/63/44/721756344.db2.gz MKJIQHLOSWUUMK-UHFFFAOYSA-N 1 1 405.458 2.595 20 0 HFADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3c(n1)NC(=O)CO3)C2 ZINC001164910105 721756349 /nfs/dbraw/zinc/75/63/49/721756349.db2.gz MKJIQHLOSWUUMK-UHFFFAOYSA-N 1 1 405.458 2.595 20 0 HFADMO CCOC(=O)Cc1cnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164910072 721756453 /nfs/dbraw/zinc/75/64/53/721756453.db2.gz KURVOAQBZJRNGF-UHFFFAOYSA-N 1 1 421.501 2.765 20 0 HFADMO CCOC(=O)Cc1cnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164910072 721756456 /nfs/dbraw/zinc/75/64/56/721756456.db2.gz KURVOAQBZJRNGF-UHFFFAOYSA-N 1 1 421.501 2.765 20 0 HFADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(Cn3cncn3)cn1)C2 ZINC001164909650 721760567 /nfs/dbraw/zinc/76/05/67/721760567.db2.gz FBXKPBDIZDFABV-UHFFFAOYSA-N 1 1 415.501 2.904 20 0 HFADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(Cn3cncn3)cn1)C2 ZINC001164909650 721760572 /nfs/dbraw/zinc/76/05/72/721760572.db2.gz FBXKPBDIZDFABV-UHFFFAOYSA-N 1 1 415.501 2.904 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3C(C)(C)C(=O)N4)C[C@@H]21 ZINC001165023938 721821813 /nfs/dbraw/zinc/82/18/13/721821813.db2.gz IVGSLLCXTYYOKJ-RYQLBKOJSA-N 1 1 406.534 2.838 20 0 HFADMO CON(C)C(=O)c1ccnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165023008 721827685 /nfs/dbraw/zinc/82/76/85/721827685.db2.gz HEUJRZVEIWOAIQ-JBACZVJFSA-N 1 1 409.534 2.847 20 0 HFADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ccc2ccn(C(=O)c3ccccc3)c2n1 ZINC001164922373 721875710 /nfs/dbraw/zinc/87/57/10/721875710.db2.gz GCWDNQWOPSQNMB-SFTDATJTSA-N 1 1 403.530 2.939 20 0 HFADMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccc2ccn(C(=O)c3ccccc3)c2n1 ZINC001164922373 721875712 /nfs/dbraw/zinc/87/57/12/721875712.db2.gz GCWDNQWOPSQNMB-SFTDATJTSA-N 1 1 403.530 2.939 20 0 HFADMO COc1ccc(Cc2c(C)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4CCN(C)C)nc2C)cc1 ZINC001164931967 721886963 /nfs/dbraw/zinc/88/69/63/721886963.db2.gz GXELKADEYPUSSH-GOTSBHOMSA-N 1 1 409.578 2.907 20 0 HFADMO COc1ccc(Cc2c(C)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4CCN(C)C)nc2C)cc1 ZINC001164931967 721886965 /nfs/dbraw/zinc/88/69/65/721886965.db2.gz GXELKADEYPUSSH-GOTSBHOMSA-N 1 1 409.578 2.907 20 0 HFADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165042408 721926884 /nfs/dbraw/zinc/92/68/84/721926884.db2.gz DBAKESFKUUNNPS-NSHDSACASA-N 1 1 403.886 2.672 20 0 HFADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(-n5cncn5)nc(C)n4)CC3)C2)cc1 ZINC001164940125 721932774 /nfs/dbraw/zinc/93/27/74/721932774.db2.gz QHYNSFSZRKZZTG-UHFFFAOYSA-N 1 1 419.533 2.546 20 0 HFADMO Cc1ccc(CN2CCOC3(CCN(c4ncc(C)c(C5C[NH2+]C5)n4)CC3)C2)cc1 ZINC001164944475 721933736 /nfs/dbraw/zinc/93/37/36/721933736.db2.gz SFRIZHSKDHRFGT-UHFFFAOYSA-N 1 1 407.562 2.652 20 0 HFADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncnc3cc(F)ccc31)CC2 ZINC001164946727 721970168 /nfs/dbraw/zinc/97/01/68/721970168.db2.gz VPCAOKNWKFZZNQ-UHFFFAOYSA-N 1 1 405.477 2.740 20 0 HFADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncnc3cc(F)ccc31)CC2 ZINC001164946727 721970171 /nfs/dbraw/zinc/97/01/71/721970171.db2.gz VPCAOKNWKFZZNQ-UHFFFAOYSA-N 1 1 405.477 2.740 20 0 HFADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nncc3ccc(F)cc31)CC2 ZINC001164947106 721974878 /nfs/dbraw/zinc/97/48/78/721974878.db2.gz NWVSOLXQOZHLTM-UHFFFAOYSA-N 1 1 405.477 2.740 20 0 HFADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nncc3ccc(F)cc31)CC2 ZINC001164947106 721974882 /nfs/dbraw/zinc/97/48/82/721974882.db2.gz NWVSOLXQOZHLTM-UHFFFAOYSA-N 1 1 405.477 2.740 20 0 HFADMO CN1CCOc2c(Cl)nnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c21 ZINC001164955263 722021113 /nfs/dbraw/zinc/02/11/13/722021113.db2.gz CKHNYUJJOYQHSB-UHFFFAOYSA-N 1 1 414.941 2.846 20 0 HFADMO CCN(C)c1cc(C)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164961925 722051692 /nfs/dbraw/zinc/05/16/92/722051692.db2.gz YXCVTRUNSQCBRQ-UHFFFAOYSA-N 1 1 410.566 2.755 20 0 HFADMO CCN(C)c1cc(C)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164961925 722051693 /nfs/dbraw/zinc/05/16/93/722051693.db2.gz YXCVTRUNSQCBRQ-UHFFFAOYSA-N 1 1 410.566 2.755 20 0 HFADMO COC(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1C ZINC001164964492 722055278 /nfs/dbraw/zinc/05/52/78/722055278.db2.gz VEPOUNBSYUSTSN-UHFFFAOYSA-N 1 1 410.518 2.691 20 0 HFADMO c1cc(C[N@H+]2CCOCC3(CCN(c4cc(N5CCCCC5)ncn4)CC3)C2)ccn1 ZINC001164960668 722059533 /nfs/dbraw/zinc/05/95/33/722059533.db2.gz GPRPJDMOZVVJOF-UHFFFAOYSA-N 1 1 422.577 2.981 20 0 HFADMO FC(F)(c1ccnc(Cl)n1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983374 722098606 /nfs/dbraw/zinc/09/86/06/722098606.db2.gz PQSRZOJAVWISHN-HZPDHXFCSA-N 1 1 409.868 2.797 20 0 HFADMO Cc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1N1CCCC1 ZINC001164978209 722099180 /nfs/dbraw/zinc/09/91/80/722099180.db2.gz GESKSEBFPUUXLC-RTWAWAEBSA-N 1 1 408.550 2.508 20 0 HFADMO COC(=O)c1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164984277 722099272 /nfs/dbraw/zinc/09/92/72/722099272.db2.gz RWJZJMXMSHLTOF-VQIMIIECSA-N 1 1 416.909 2.644 20 0 HFADMO Fc1c[nH]c2nc(Cl)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164985141 722100035 /nfs/dbraw/zinc/10/00/35/722100035.db2.gz UZGXIQHWZSNECX-GOEBONIOSA-N 1 1 416.888 2.873 20 0 HFADMO CCOC(=O)c1cc(F)cnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980734 722104805 /nfs/dbraw/zinc/10/48/05/722104805.db2.gz KBVYDDJJDIFGSP-PXNSSMCTSA-N 1 1 414.481 2.520 20 0 HFADMO CCOC(=O)c1cc(C)cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983440 722105604 /nfs/dbraw/zinc/10/56/04/722105604.db2.gz QDUDMQVIWJMTKT-CTNGQTDRSA-N 1 1 410.518 2.689 20 0 HFADMO COc1c(Cl)nc(C)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981058 722117610 /nfs/dbraw/zinc/11/76/10/722117610.db2.gz SFHCFTPRGAATRX-IRXDYDNUSA-N 1 1 403.914 2.569 20 0 HFADMO COc1c(Cl)nc(C)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981056 722117661 /nfs/dbraw/zinc/11/76/61/722117661.db2.gz SFHCFTPRGAATRX-IAGOWNOFSA-N 1 1 403.914 2.569 20 0 HFADMO COc1ccc2ncc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164979192 722119438 /nfs/dbraw/zinc/11/94/38/722119438.db2.gz PMPRURBEKZTDTH-GCJKJVERSA-N 1 1 405.502 2.761 20 0 HFADMO FC(F)(c1nccnc1Cl)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978063 722136727 /nfs/dbraw/zinc/13/67/27/722136727.db2.gz JMEKBMMCVJWIFY-CVEARBPZSA-N 1 1 409.868 2.797 20 0 HFADMO Cc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(-c2ccccn2)n1 ZINC001164980253 722139018 /nfs/dbraw/zinc/13/90/18/722139018.db2.gz MEKIFAMVGVJNQE-IRLDBZIGSA-N 1 1 416.529 2.969 20 0 HFADMO COc1nnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c2ccccc21 ZINC001164985488 722139718 /nfs/dbraw/zinc/13/97/18/722139718.db2.gz ZQCJXSLUOZHTIM-RXVVDRJESA-N 1 1 405.502 2.761 20 0 HFADMO CC(C)n1cnc2cnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164984582 722142338 /nfs/dbraw/zinc/14/23/38/722142338.db2.gz XEXKNKJOAVYVLG-UYAOXDASSA-N 1 1 407.522 2.530 20 0 HFADMO c1ccc(-c2cc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)ncn2)nc1 ZINC001164980909 722145046 /nfs/dbraw/zinc/14/50/46/722145046.db2.gz NQCZVJLXBRZLPR-SIKLNZKXSA-N 1 1 402.502 2.661 20 0 HFADMO c1cc2c(nc(C3CC3)nc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH]1 ZINC001164973052 722154018 /nfs/dbraw/zinc/15/40/18/722154018.db2.gz KNYRYKHKZFGPDU-AZUAARDMSA-N 1 1 404.518 2.958 20 0 HFADMO c1csc(-c2nccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)n1 ZINC001164972169 722156902 /nfs/dbraw/zinc/15/69/02/722156902.db2.gz GIWOWWJPKHJKLN-ROUUACIJSA-N 1 1 408.531 2.722 20 0 HFADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4[C@@H](OCC5CC5)c5ccccc5[C@H]4C3)n2)CC1 ZINC001164980953 722171615 /nfs/dbraw/zinc/17/16/15/722171615.db2.gz ZDYFMPYBWOVQHU-GIWBLDEGSA-N 1 1 405.546 2.930 20 0 HFADMO O=C(c1cccnc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1)N1CCNCC1 ZINC001164994095 722204040 /nfs/dbraw/zinc/20/40/40/722204040.db2.gz FSRIQLSXSYBFTR-DEOSSOPVSA-N 1 1 423.536 2.511 20 0 HFADMO O=C(c1cccnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1)N1CCNCC1 ZINC001164994095 722204045 /nfs/dbraw/zinc/20/40/45/722204045.db2.gz FSRIQLSXSYBFTR-DEOSSOPVSA-N 1 1 423.536 2.511 20 0 HFADMO COC(=O)c1ncnc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1OC ZINC001164996194 722213581 /nfs/dbraw/zinc/21/35/81/722213581.db2.gz MVUOFTANGPGDLT-OAQYLSRUSA-N 1 1 400.454 2.656 20 0 HFADMO COC(=O)c1ncnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1OC ZINC001164996193 722213621 /nfs/dbraw/zinc/21/36/21/722213621.db2.gz MVUOFTANGPGDLT-NRFANRHFSA-N 1 1 400.454 2.656 20 0 HFADMO CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164995589 722215115 /nfs/dbraw/zinc/21/51/15/722215115.db2.gz JWHRVQIJBKDJSY-KSZLIROESA-N 1 1 406.958 2.839 20 0 HFADMO CSc1cc(Cl)ncc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164997127 722232279 /nfs/dbraw/zinc/23/22/79/722232279.db2.gz LEARGJXKNVYZQQ-UHFFFAOYSA-N 1 1 404.971 2.604 20 0 HFADMO Cc1c(Cl)nc(C(C)C)nc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001165001903 722239632 /nfs/dbraw/zinc/23/96/32/722239632.db2.gz OQKDXAULHYRXOQ-UHFFFAOYSA-N 1 1 415.973 2.709 20 0 HFADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000792995937 1078044188 /nfs/dbraw/zinc/04/41/88/1078044188.db2.gz CTFKKUPSJNXVBE-SLYNCCJLSA-N 1 1 414.550 2.817 20 0 HFADMO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(Br)n2)C[N@H+]1Cc1ccccc1 ZINC000793006953 1078046876 /nfs/dbraw/zinc/04/68/76/1078046876.db2.gz PAFSPZHAIWSKAL-ZFWWWQNUSA-N 1 1 417.307 2.562 20 0 HFADMO C[C@H](NC(=O)C(=O)Nc1cccc(Br)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000793018370 1078050767 /nfs/dbraw/zinc/05/07/67/1078050767.db2.gz DGHHLYNYQXPCTO-QWHCGFSZSA-N 1 1 409.328 2.552 20 0 HFADMO CN(C(=O)C(=O)Nc1cccc(Br)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793035459 1078052766 /nfs/dbraw/zinc/05/27/66/1078052766.db2.gz XKQKAHIXEDDKHA-HNNXBMFYSA-N 1 1 417.307 2.516 20 0 HFADMO COCC1(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793059795 1078068911 /nfs/dbraw/zinc/06/89/11/1078068911.db2.gz QGJZERLRBVEDDE-ROUUACIJSA-N 1 1 411.587 2.887 20 0 HFADMO CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)cc1 ZINC000793108466 1078080412 /nfs/dbraw/zinc/08/04/12/1078080412.db2.gz LNSFVJKKCDAFHV-HXUWFJFHSA-N 1 1 424.501 2.579 20 0 HFADMO CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)cc1 ZINC000793108466 1078080416 /nfs/dbraw/zinc/08/04/16/1078080416.db2.gz LNSFVJKKCDAFHV-HXUWFJFHSA-N 1 1 424.501 2.579 20 0 HFADMO C[C@@H](NC(=O)N[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)C1=CC[N@@H+](C)CC1 ZINC000793146819 1078089822 /nfs/dbraw/zinc/08/98/22/1078089822.db2.gz BXYIMPCLEMMZBH-VGOFRKELSA-N 1 1 400.523 2.737 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000793215889 1078099370 /nfs/dbraw/zinc/09/93/70/1078099370.db2.gz XWQQVYNWZRTJLC-ZDUSSCGKSA-N 1 1 408.462 2.670 20 0 HFADMO Cc1ccc(N2C(=O)C(=O)N(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)C2=O)c(C)c1 ZINC000772829083 1078099910 /nfs/dbraw/zinc/09/99/10/1078099910.db2.gz RBNJZAJONBRCGL-XLIONFOSSA-N 1 1 410.518 2.505 20 0 HFADMO Cc1c(Cl)cccc1N1CCCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000790707693 1078102695 /nfs/dbraw/zinc/10/26/95/1078102695.db2.gz CILNEJSWPYMWBZ-MSOLQXFVSA-N 1 1 406.958 2.733 20 0 HFADMO C[C@H](NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1nnnn1C1CC1 ZINC000790721311 1078108329 /nfs/dbraw/zinc/10/83/29/1078108329.db2.gz IFYQMRGZKVRMDS-HTAPYJJXSA-N 1 1 409.538 2.767 20 0 HFADMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000793273365 1078116049 /nfs/dbraw/zinc/11/60/49/1078116049.db2.gz GWYUFEARPOLHLF-BGYRXZFFSA-N 1 1 424.545 2.911 20 0 HFADMO CC(C)(C)OC(=O)N1CCCc2cc(C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)ccc21 ZINC000793290327 1078119473 /nfs/dbraw/zinc/11/94/73/1078119473.db2.gz FGJFIWZYHXJHHX-OALUTQOASA-N 1 1 415.534 2.967 20 0 HFADMO CCC[N@H+]1CC[C@@H](CNC(=O)N2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)C1 ZINC000790770567 1078129144 /nfs/dbraw/zinc/12/91/44/1078129144.db2.gz RTLSNXGLBQPUPX-ULQDDVLXSA-N 1 1 400.539 2.707 20 0 HFADMO CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cc1 ZINC000747113437 1078138733 /nfs/dbraw/zinc/13/87/33/1078138733.db2.gz WYQWMUNWMHTYNI-SFHVURJKSA-N 1 1 405.539 2.938 20 0 HFADMO O=C(Cn1cc(C(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1)NC1CCCCC1 ZINC000747116163 1078161444 /nfs/dbraw/zinc/16/14/44/1078161444.db2.gz DNBPALFJWFGISH-OAQYLSRUSA-N 1 1 410.518 2.763 20 0 HFADMO CC(C)[N@H+]1CCCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000793384925 1078162303 /nfs/dbraw/zinc/16/23/03/1078162303.db2.gz QBKJLJNJCUMCFV-BGYRXZFFSA-N 1 1 410.518 2.521 20 0 HFADMO O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790884016 1078170316 /nfs/dbraw/zinc/17/03/16/1078170316.db2.gz QJDNVUARFYAXNN-FQOCKNPQSA-N 1 1 404.514 2.992 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000793461427 1078179608 /nfs/dbraw/zinc/17/96/08/1078179608.db2.gz KLKQWXCVINOJDO-UHFFFAOYSA-N 1 1 416.526 2.694 20 0 HFADMO C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000793484066 1078189362 /nfs/dbraw/zinc/18/93/62/1078189362.db2.gz QHKOSQKHMUMUMO-CMKODMSKSA-N 1 1 422.614 2.649 20 0 HFADMO C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000793484066 1078189366 /nfs/dbraw/zinc/18/93/66/1078189366.db2.gz QHKOSQKHMUMUMO-CMKODMSKSA-N 1 1 422.614 2.649 20 0 HFADMO O=C(NC[C@@H]1CCC[N@H+](CN2CC[C@@H](CCc3ccccc3)C2=O)C1)C(F)(F)F ZINC000793518554 1078197955 /nfs/dbraw/zinc/19/79/55/1078197955.db2.gz GOBYFICPMMUBFD-ZWKOTPCHSA-N 1 1 411.468 2.816 20 0 HFADMO O=C(NC[C@@H]1CCC[N@@H+](CN2CC[C@@H](CCc3ccccc3)C2=O)C1)C(F)(F)F ZINC000793518554 1078197959 /nfs/dbraw/zinc/19/79/59/1078197959.db2.gz GOBYFICPMMUBFD-ZWKOTPCHSA-N 1 1 411.468 2.816 20 0 HFADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)Cc2sc(SC(F)F)nc2C)CC1 ZINC000793493081 1078200696 /nfs/dbraw/zinc/20/06/96/1078200696.db2.gz JTEGYQXLDCLJRZ-GFCCVEGCSA-N 1 1 406.568 2.699 20 0 HFADMO Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000793493608 1078201499 /nfs/dbraw/zinc/20/14/99/1078201499.db2.gz ONFVDDMWZWPZOL-INIZCTEOSA-N 1 1 404.555 2.955 20 0 HFADMO CCOC(=O)CC[C@]1(C)NC(=O)N(C[NH+]2CCC(c3ccc(F)cc3C)CC2)C1=O ZINC000793545931 1078207612 /nfs/dbraw/zinc/20/76/12/1078207612.db2.gz OWTFZHBKDPSJDV-QFIPXVFZSA-N 1 1 419.497 2.925 20 0 HFADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000793577770 1078213423 /nfs/dbraw/zinc/21/34/23/1078213423.db2.gz SYNKLRPZFWNBSW-PWRODBHTSA-N 1 1 424.545 2.911 20 0 HFADMO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2cccc(I)c2)C1 ZINC000793592116 1078217549 /nfs/dbraw/zinc/21/75/49/1078217549.db2.gz OEJIUENIKAMCMV-GDBMZVCRSA-N 1 1 411.287 2.970 20 0 HFADMO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2cccc(I)c2)C1 ZINC000793592116 1078217553 /nfs/dbraw/zinc/21/75/53/1078217553.db2.gz OEJIUENIKAMCMV-GDBMZVCRSA-N 1 1 411.287 2.970 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CN2C(=O)C[C@](C)(c3ccc(F)cc3)C2=O)C1 ZINC000793598087 1078219561 /nfs/dbraw/zinc/21/95/61/1078219561.db2.gz MEVKRVADQZLVLD-RPWUZVMVSA-N 1 1 424.472 2.617 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CN2C(=O)C[C@](C)(c3ccc(F)cc3)C2=O)C1 ZINC000793598087 1078219565 /nfs/dbraw/zinc/21/95/65/1078219565.db2.gz MEVKRVADQZLVLD-RPWUZVMVSA-N 1 1 424.472 2.617 20 0 HFADMO COC(=O)c1ccccc1CC1CC[NH+](CN2C(=O)N[C@](C)(C(C)C)C2=O)CC1 ZINC000793604360 1078221637 /nfs/dbraw/zinc/22/16/37/1078221637.db2.gz ACLOIKLLNLKVGO-JOCHJYFZSA-N 1 1 401.507 2.652 20 0 HFADMO CCOc1c(OC)cc(CN2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1OC ZINC000793604184 1078221965 /nfs/dbraw/zinc/22/19/65/1078221965.db2.gz OUOPGWIVGFYVMZ-KRWDZBQOSA-N 1 1 423.554 2.743 20 0 HFADMO CCOc1c(OC)cc(CN2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1OC ZINC000793604184 1078221966 /nfs/dbraw/zinc/22/19/66/1078221966.db2.gz OUOPGWIVGFYVMZ-KRWDZBQOSA-N 1 1 423.554 2.743 20 0 HFADMO CC[C@@]1(C2CC2)NC(=O)N(C[NH+]2CCC(Cc3ccccc3C(=O)OC)CC2)C1=O ZINC000793605428 1078223551 /nfs/dbraw/zinc/22/35/51/1078223551.db2.gz CQKHXHGPEGUPHL-QHCPKHFHSA-N 1 1 413.518 2.796 20 0 HFADMO CC[C@H](C)CC[C@@H](O)CC(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000793618052 1078229114 /nfs/dbraw/zinc/22/91/14/1078229114.db2.gz JEKZUWULUIQOSH-GHTZIAJQSA-N 1 1 403.567 2.909 20 0 HFADMO O=C(c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)N1CCC(c2cnc[nH]2)CC1 ZINC000793622586 1078230603 /nfs/dbraw/zinc/23/06/03/1078230603.db2.gz VZMWKYQHMXYONF-OALUTQOASA-N 1 1 419.485 2.708 20 0 HFADMO COC(=O)[C@@]1(NC(=O)COC2CCC(C)CC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000793636377 1078235685 /nfs/dbraw/zinc/23/56/85/1078235685.db2.gz QSIUJKGDSDCGAP-KXNZUKPASA-N 1 1 402.535 2.906 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000793661225 1078243279 /nfs/dbraw/zinc/24/32/79/1078243279.db2.gz HOUAJZLOCAKDSZ-OAHLLOKOSA-N 1 1 423.395 2.585 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000793681957 1078252878 /nfs/dbraw/zinc/25/28/78/1078252878.db2.gz NWOXPSNSHPGKRX-WOJBJXKFSA-N 1 1 409.530 2.693 20 0 HFADMO C[C@H](O)c1ccc(CNC(=O)C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793658071 1078259569 /nfs/dbraw/zinc/25/95/69/1078259569.db2.gz ZVANOMUSLKCLOG-XQBPLPMBSA-N 1 1 423.557 2.773 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C[C@@](C)(c4ccccn4)CC3=O)CC[C@H]21 ZINC000793725340 1078266734 /nfs/dbraw/zinc/26/67/34/1078266734.db2.gz VHFSXUCSOYQKEH-PNCHPQGNSA-N 1 1 414.550 2.860 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C[C@@](C)(c4ccccn4)CC3=O)CC[C@H]21 ZINC000793725340 1078266742 /nfs/dbraw/zinc/26/67/42/1078266742.db2.gz VHFSXUCSOYQKEH-PNCHPQGNSA-N 1 1 414.550 2.860 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC001170436554 1078267934 /nfs/dbraw/zinc/26/79/34/1078267934.db2.gz IYYMJMFFHOSEDS-UXHICEINSA-N 1 1 412.530 2.863 20 0 HFADMO C[C@@H](COc1ccccc1)NC(=O)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000793695187 1078271003 /nfs/dbraw/zinc/27/10/03/1078271003.db2.gz MKRMLKCFJQPCNF-NRFANRHFSA-N 1 1 423.557 2.737 20 0 HFADMO COc1ccc(Cc2nn(CN3CC[C@]4(CC[N@@H+](C)C4)C3)c(=S)o2)cc1OC ZINC000793763625 1078281699 /nfs/dbraw/zinc/28/16/99/1078281699.db2.gz DDNBIEBXQDZNJQ-FQEVSTJZSA-N 1 1 404.536 2.799 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000793807760 1078306296 /nfs/dbraw/zinc/30/62/96/1078306296.db2.gz SOWXYWSVLRHCOA-QRWLVFNGSA-N 1 1 421.476 2.941 20 0 HFADMO COc1ccc([C@H]2CCCN2C(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2C)cc1 ZINC000793802478 1078302825 /nfs/dbraw/zinc/30/28/25/1078302825.db2.gz NKCAWTHIPLEAGC-HXUWFJFHSA-N 1 1 419.485 2.564 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000793807751 1078306365 /nfs/dbraw/zinc/30/63/65/1078306365.db2.gz SOWXYWSVLRHCOA-FOIQADDNSA-N 1 1 421.476 2.941 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000793804944 1078304567 /nfs/dbraw/zinc/30/45/67/1078304567.db2.gz LAFHUFAENPBRQV-YLJYHZDGSA-N 1 1 421.476 2.784 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000793790820 1078298099 /nfs/dbraw/zinc/29/80/99/1078298099.db2.gz NYBIYSUPRAWQNE-IPMKNSEASA-N 1 1 401.551 2.648 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793793328 1078298867 /nfs/dbraw/zinc/29/88/67/1078298867.db2.gz QDCJBNXUNHQDTP-ZJOUEHCJSA-N 1 1 409.530 2.658 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793793324 1078298973 /nfs/dbraw/zinc/29/89/73/1078298973.db2.gz QDCJBNXUNHQDTP-IRFCIJBXSA-N 1 1 409.530 2.658 20 0 HFADMO C[C@]1(CNC(=O)C(=O)NCCc2ccc(F)cc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000793821698 1078317709 /nfs/dbraw/zinc/31/77/09/1078317709.db2.gz FZOFFUOBRVYUNI-HSZRJFAPSA-N 1 1 415.484 2.652 20 0 HFADMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCc2ccccc2OC1 ZINC000793839374 1078311050 /nfs/dbraw/zinc/31/10/50/1078311050.db2.gz CVPNVWCIJLLFLK-IFMALSPDSA-N 1 1 421.541 2.525 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000793809640 1078314096 /nfs/dbraw/zinc/31/40/96/1078314096.db2.gz ZXWNZFMEZIUJII-UWJYYQICSA-N 1 1 417.513 2.905 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@H](C)C[C@H]1c1ccco1 ZINC000793810262 1078314106 /nfs/dbraw/zinc/31/41/06/1078314106.db2.gz TWUIHOCVXCIQDP-YJBOKZPZSA-N 1 1 407.474 2.785 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000793811542 1078314330 /nfs/dbraw/zinc/31/43/30/1078314330.db2.gz XPFGURHBZBKTNN-JLTOFOAXSA-N 1 1 421.476 2.771 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000793812050 1078314965 /nfs/dbraw/zinc/31/49/65/1078314965.db2.gz ZLFXNPMFNJORBR-VIOKTNGOSA-N 1 1 415.497 2.896 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCSC[C@H]1c1ccccc1 ZINC000793811950 1078314976 /nfs/dbraw/zinc/31/49/76/1078314976.db2.gz XKIXXTATVVAPMB-IBGZPJMESA-N 1 1 421.526 2.509 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCCC3)[C@@H]2C1 ZINC001170437838 1078319188 /nfs/dbraw/zinc/31/91/88/1078319188.db2.gz PZQNKNSWTVRLDI-CGXNFDGLSA-N 1 1 414.546 2.943 20 0 HFADMO Cc1c[nH+]cn1C1CCN(C(=O)COC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000793850632 1078323197 /nfs/dbraw/zinc/32/31/97/1078323197.db2.gz QLXCMWQIQFDLMI-UHFFFAOYSA-N 1 1 406.527 2.771 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@H](C)C1 ZINC000793872290 1078329559 /nfs/dbraw/zinc/32/95/59/1078329559.db2.gz KIBNFIYQXVOEAM-HBFSDRIKSA-N 1 1 419.566 2.946 20 0 HFADMO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CCCc3cn(C(C)C)nc32)c1 ZINC000793868277 1078328178 /nfs/dbraw/zinc/32/81/78/1078328178.db2.gz MPKLZJHDZIHABY-FQEVSTJZSA-N 1 1 411.550 2.726 20 0 HFADMO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c1 ZINC000793868370 1078328357 /nfs/dbraw/zinc/32/83/57/1078328357.db2.gz OBAGQOKWGCQZBS-QHCPKHFHSA-N 1 1 423.557 2.727 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)C[C@H](O)c2ccc(OCc3ccccc3)cc2)[C@@H](C)C1 ZINC000793874035 1078330498 /nfs/dbraw/zinc/33/04/98/1078330498.db2.gz KKYLQQOVEHQFKM-YDHSSHFGSA-N 1 1 412.530 2.603 20 0 HFADMO CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000793899628 1078343531 /nfs/dbraw/zinc/34/35/31/1078343531.db2.gz BGYCTIQLMWZGDP-OPYAIIAOSA-N 1 1 421.557 2.580 20 0 HFADMO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)no1 ZINC000793899409 1078343695 /nfs/dbraw/zinc/34/36/95/1078343695.db2.gz IZQIRJOVEQBMBF-IBGZPJMESA-N 1 1 411.437 2.596 20 0 HFADMO Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000793947937 1078344222 /nfs/dbraw/zinc/34/42/22/1078344222.db2.gz ZNHUCAJUETYWIK-KRWDZBQOSA-N 1 1 417.554 2.542 20 0 HFADMO Cn1cc[nH+]c1N1CCC(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)CC1 ZINC000793951703 1078345275 /nfs/dbraw/zinc/34/52/75/1078345275.db2.gz LPWGVPPCEBAZHJ-SILNSSARSA-N 1 1 419.485 2.569 20 0 HFADMO Cn1cc[nH+]c1N1CCC(NC(=O)CC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000793952445 1078345706 /nfs/dbraw/zinc/34/57/06/1078345706.db2.gz NHJGFRJGYNUOLY-KRWDZBQOSA-N 1 1 405.543 2.685 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000793969858 1078349510 /nfs/dbraw/zinc/34/95/10/1078349510.db2.gz FMEKFQCECPNNAP-CZUORRHYSA-N 1 1 416.526 2.740 20 0 HFADMO COCC1(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793973129 1078349976 /nfs/dbraw/zinc/34/99/76/1078349976.db2.gz ZIHBFAIGMHFYBI-GOSISDBHSA-N 1 1 409.571 2.783 20 0 HFADMO Cc1nc(SC(F)F)sc1CC(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000793947340 1078355038 /nfs/dbraw/zinc/35/50/38/1078355038.db2.gz SPIKSXODSZJZEK-UHFFFAOYSA-N 1 1 401.508 2.827 20 0 HFADMO COCC1(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793982841 1078356010 /nfs/dbraw/zinc/35/60/10/1078356010.db2.gz QUGAXSNJFQHBGC-KRWDZBQOSA-N 1 1 411.587 2.887 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCOC[C@]2(CCN(c3ncccn3)C2)C1 ZINC001170441688 1078356308 /nfs/dbraw/zinc/35/63/08/1078356308.db2.gz JMJBBTCUNYWUDO-WMZHIEFXSA-N 1 1 410.518 2.755 20 0 HFADMO C[NH+](C)Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1Cl ZINC000794233357 1078389586 /nfs/dbraw/zinc/38/95/86/1078389586.db2.gz MJDLLBQUBYWTMK-NRFANRHFSA-N 1 1 414.893 2.807 20 0 HFADMO CCC[N@@H+](CC)C[C@H](C)NC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000794258734 1078393374 /nfs/dbraw/zinc/39/33/74/1078393374.db2.gz VAQXUXAFZNTDKU-SFHVURJKSA-N 1 1 424.611 2.655 20 0 HFADMO CC[N@@H+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)[C@@H](C)C1 ZINC000804380853 1078440179 /nfs/dbraw/zinc/44/01/79/1078440179.db2.gz JGWHHJSDUYPCDP-ZDUSSCGKSA-N 1 1 401.960 2.583 20 0 HFADMO CC[N@H+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)[C@@H](C)C1 ZINC000804380853 1078440183 /nfs/dbraw/zinc/44/01/83/1078440183.db2.gz JGWHHJSDUYPCDP-ZDUSSCGKSA-N 1 1 401.960 2.583 20 0 HFADMO C[N@@H+](C[C@@H](O)CCNC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000794382698 1078432242 /nfs/dbraw/zinc/43/22/42/1078432242.db2.gz KIOJOGHIDCYHLO-INIZCTEOSA-N 1 1 401.548 2.593 20 0 HFADMO CC[N@@H+]1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)[C@@H]3CCCO[C@H]3C2(C)C)[C@H](C)C1 ZINC000804379003 1078454949 /nfs/dbraw/zinc/45/49/49/1078454949.db2.gz FUGSITBBTZQYCE-PEOGOYOCSA-N 1 1 409.571 2.638 20 0 HFADMO CC[N@H+]1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)[C@@H]3CCCO[C@H]3C2(C)C)[C@H](C)C1 ZINC000804379003 1078454951 /nfs/dbraw/zinc/45/49/51/1078454951.db2.gz FUGSITBBTZQYCE-PEOGOYOCSA-N 1 1 409.571 2.638 20 0 HFADMO Cc1nnc(CCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)s1 ZINC001129429321 1078461391 /nfs/dbraw/zinc/46/13/91/1078461391.db2.gz LBRPWFHRPCBZEZ-VQTJNVASSA-N 1 1 407.543 2.816 20 0 HFADMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC001129772317 1078482220 /nfs/dbraw/zinc/48/22/20/1078482220.db2.gz FFKKRKJHZJBDLM-ZDUSSCGKSA-N 1 1 404.477 2.735 20 0 HFADMO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC001170451654 1078496625 /nfs/dbraw/zinc/49/66/25/1078496625.db2.gz MHZNQWBZHZLKTQ-JFIYKMOQSA-N 1 1 405.539 2.560 20 0 HFADMO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC001170451654 1078496631 /nfs/dbraw/zinc/49/66/31/1078496631.db2.gz MHZNQWBZHZLKTQ-JFIYKMOQSA-N 1 1 405.539 2.560 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cnc2ccccc2c1O ZINC001129813285 1078511387 /nfs/dbraw/zinc/51/13/87/1078511387.db2.gz LOAITAXIWGGBKS-XMSQKQJNSA-N 1 1 405.498 2.795 20 0 HFADMO O=Cc1ccc(OCCC(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000804448540 1078516890 /nfs/dbraw/zinc/51/68/90/1078516890.db2.gz OMDRRMWXBLZJGS-QHCPKHFHSA-N 1 1 421.541 2.687 20 0 HFADMO O=C(CCc1cncnc1)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC001129823207 1078517994 /nfs/dbraw/zinc/51/79/94/1078517994.db2.gz GXEIVPCBYNNNKD-UHFFFAOYSA-N 1 1 403.324 2.953 20 0 HFADMO COc1ccc([C@@H]2[C@@H](C(=O)N3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC(=O)N2C)cc1 ZINC001129827566 1078521212 /nfs/dbraw/zinc/52/12/12/1078521212.db2.gz BADNUIIDHPATEQ-JKFKMHIGSA-N 1 1 421.541 2.948 20 0 HFADMO COc1ccc([C@@H]2[C@@H](C(=O)N3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC(=O)N2C)cc1 ZINC001129827566 1078521218 /nfs/dbraw/zinc/52/12/18/1078521218.db2.gz BADNUIIDHPATEQ-JKFKMHIGSA-N 1 1 421.541 2.948 20 0 HFADMO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCC[N@@H+](C)C2CC2)c1 ZINC001129515788 1078528263 /nfs/dbraw/zinc/52/82/63/1078528263.db2.gz VXRZAGUFCGLUAM-UHFFFAOYSA-N 1 1 415.987 2.973 20 0 HFADMO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1cc(Br)ccc1C1CC1 ZINC001129557156 1078541740 /nfs/dbraw/zinc/54/17/40/1078541740.db2.gz YPDGQTWSAWFQDT-UHFFFAOYSA-N 1 1 423.351 2.938 20 0 HFADMO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1ccc(SC(F)(F)F)cc1 ZINC001129557167 1078542736 /nfs/dbraw/zinc/54/27/36/1078542736.db2.gz YQKHGNYLNHBIIP-UHFFFAOYSA-N 1 1 404.454 2.910 20 0 HFADMO C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNc3nc(N4CCCC4)cc[nH+]3)cc2)C1=O ZINC000804703055 1078567857 /nfs/dbraw/zinc/56/78/57/1078567857.db2.gz QIWAQKJVCPZQDG-QFIPXVFZSA-N 1 1 406.490 2.914 20 0 HFADMO CC1=C(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)[C@H](C)n2ncnc2N1C ZINC000804533264 1078569797 /nfs/dbraw/zinc/56/97/97/1078569797.db2.gz AWRAQQXXDMQXIK-MBSDFSHPSA-N 1 1 406.534 2.688 20 0 HFADMO CC(C)(C)OC(=O)C1=NO[C@H](C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000804533667 1078571888 /nfs/dbraw/zinc/57/18/88/1078571888.db2.gz IOQJFNLYJZCOJA-CVDCTZTESA-N 1 1 413.518 2.598 20 0 HFADMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001129599175 1078573207 /nfs/dbraw/zinc/57/32/07/1078573207.db2.gz LVDBGBHKHXOSSN-KURKYZTESA-N 1 1 411.468 2.720 20 0 HFADMO C[N@@H+](CCCCNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)C1CC1 ZINC001129628303 1078601486 /nfs/dbraw/zinc/60/14/86/1078601486.db2.gz LKUUQEVJFCMJQH-CQSZACIVSA-N 1 1 408.340 2.793 20 0 HFADMO CCCN(CC[NH+]1CCCCC1)C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000804566633 1078603043 /nfs/dbraw/zinc/60/30/43/1078603043.db2.gz XVNHVOCKVWTVPO-UHFFFAOYSA-N 1 1 402.564 2.800 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1C[C@@H]1C ZINC000804777114 1078603150 /nfs/dbraw/zinc/60/31/50/1078603150.db2.gz QOMBPWLUKDSZCQ-JYJNAYRXSA-N 1 1 403.523 2.903 20 0 HFADMO CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC001129925986 1078618426 /nfs/dbraw/zinc/61/84/26/1078618426.db2.gz MSPFOUFYAOCZFV-NQIIRXRSSA-N 1 1 415.578 2.555 20 0 HFADMO C[C@H](C(=O)NCC1([NH+]2CCOCC2)CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC001129670098 1078628896 /nfs/dbraw/zinc/62/88/96/1078628896.db2.gz UBRWEZZAQFWYNP-HNNXBMFYSA-N 1 1 400.441 2.807 20 0 HFADMO COc1ccc([C@H](CC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)NC(C)=O)cc1 ZINC001129702496 1078661088 /nfs/dbraw/zinc/66/10/88/1078661088.db2.gz VAIDKLKQJYEEKK-JPYJTQIMSA-N 1 1 409.530 2.995 20 0 HFADMO COc1ccc([C@H](CC(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)NC(C)=O)cc1 ZINC001129702496 1078661090 /nfs/dbraw/zinc/66/10/90/1078661090.db2.gz VAIDKLKQJYEEKK-JPYJTQIMSA-N 1 1 409.530 2.995 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000804831011 1078671825 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GPGSJHVQODJTIV-UHFFFAOYSA-N 1 1 412.921 2.953 20 0 HFADMO COC(=O)C1(N(C(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C2CC2)CCC1 ZINC001130005021 1078782734 /nfs/dbraw/zinc/78/27/34/1078782734.db2.gz MVEVZCYUIJOKHV-CALCHBBNSA-N 1 1 400.519 2.996 20 0 HFADMO COC(=O)C1(N(C(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C2CC2)CCC1 ZINC001130005021 1078782738 /nfs/dbraw/zinc/78/27/38/1078782738.db2.gz MVEVZCYUIJOKHV-CALCHBBNSA-N 1 1 400.519 2.996 20 0 HFADMO CCc1ccc([C@@H](O)CNC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000804957296 1078797881 /nfs/dbraw/zinc/79/78/81/1078797881.db2.gz GTEZBQRDUQFZHL-QFIPXVFZSA-N 1 1 414.525 2.543 20 0 HFADMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000804977128 1078812768 /nfs/dbraw/zinc/81/27/68/1078812768.db2.gz NEYLKDXROOQIOX-HOCLYGCPSA-N 1 1 408.568 2.803 20 0 HFADMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000804977128 1078812772 /nfs/dbraw/zinc/81/27/72/1078812772.db2.gz NEYLKDXROOQIOX-HOCLYGCPSA-N 1 1 408.568 2.803 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNS(=O)(=O)Cc1ccccc1Br ZINC000805006713 1078850675 /nfs/dbraw/zinc/85/06/75/1078850675.db2.gz CHJIGQRMITTXQB-UHFFFAOYSA-N 1 1 421.320 2.958 20 0 HFADMO C[C@@H](CNC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000805104582 1078888288 /nfs/dbraw/zinc/88/82/88/1078888288.db2.gz XEBIWDKOZHRKBE-YXMSTPNBSA-N 1 1 406.493 2.594 20 0 HFADMO CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000805074721 1078906627 /nfs/dbraw/zinc/90/66/27/1078906627.db2.gz OIEOUVMXCSMGSF-DOTOQJQBSA-N 1 1 401.429 2.632 20 0 HFADMO O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000747232018 1078949993 /nfs/dbraw/zinc/94/99/93/1078949993.db2.gz PTXRFFLQUYTDRD-BDTNDASRSA-N 1 1 407.514 2.527 20 0 HFADMO Cc1ccc(-n2ncc(C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)c2C(F)(F)F)cc1 ZINC000747231749 1078950624 /nfs/dbraw/zinc/95/06/24/1078950624.db2.gz NFLPGFFYSSUZPH-HOTGVXAUSA-N 1 1 408.424 2.793 20 0 HFADMO COC(=O)N1CCC(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000805176747 1078962179 /nfs/dbraw/zinc/96/21/79/1078962179.db2.gz NQIJCEXIWYRWOD-YLJYHZDGSA-N 1 1 402.539 2.817 20 0 HFADMO Cc1c(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cnn1-c1ccc(Br)cc1 ZINC000747231431 1078966840 /nfs/dbraw/zinc/96/68/40/1078966840.db2.gz KNFFVISDISQQDT-IRXDYDNUSA-N 1 1 419.323 2.536 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)c1 ZINC000805199137 1078971757 /nfs/dbraw/zinc/97/17/57/1078971757.db2.gz XFCMIQAHEPYOON-QFIPXVFZSA-N 1 1 414.937 2.831 20 0 HFADMO Cc1cccc(-n2ncc(C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)c2C(F)(F)F)c1 ZINC000747235899 1079004543 /nfs/dbraw/zinc/00/45/43/1079004543.db2.gz JDVFDYXMPDKMOA-HOTGVXAUSA-N 1 1 408.424 2.793 20 0 HFADMO CC(C)C[C@@]1(C)CCC[N@H+]1CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC001170479645 1079017209 /nfs/dbraw/zinc/01/72/09/1079017209.db2.gz KMLPMVFHDRLCCC-DHIUTWEWSA-N 1 1 414.550 2.862 20 0 HFADMO 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CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+](CC(=O)NC(=O)NC1CCCCC1)C2 ZINC000805795518 1079259777 /nfs/dbraw/zinc/25/97/77/1079259777.db2.gz PGEAMFMEXDVGJR-JOCHJYFZSA-N 1 1 422.570 2.868 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC(=O)NC(=O)NC1CCCCC1)C2 ZINC000805795518 1079259782 /nfs/dbraw/zinc/25/97/82/1079259782.db2.gz PGEAMFMEXDVGJR-JOCHJYFZSA-N 1 1 422.570 2.868 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000805762777 1079265043 /nfs/dbraw/zinc/26/50/43/1079265043.db2.gz UFBHFPGYPAOSFG-HNNXBMFYSA-N 1 1 424.929 2.710 20 0 HFADMO CCOc1ccc(CN(C)C(=O)C[N@@H+]2CCCC[C@@H]2COC(=O)N(C)CC)cc1 ZINC000805762341 1079263673 /nfs/dbraw/zinc/26/36/73/1079263673.db2.gz QCWVKJJBRFGYOA-LJQANCHMSA-N 1 1 405.539 2.987 20 0 HFADMO CCOc1ccc(CN(C)C(=O)C[N@H+]2CCCC[C@@H]2COC(=O)N(C)CC)cc1 ZINC000805762341 1079263677 /nfs/dbraw/zinc/26/36/77/1079263677.db2.gz QCWVKJJBRFGYOA-LJQANCHMSA-N 1 1 405.539 2.987 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000805762589 1079263777 /nfs/dbraw/zinc/26/37/77/1079263777.db2.gz QSYUSSOFMDSTIM-KRWDZBQOSA-N 1 1 412.552 2.802 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000805762589 1079263778 /nfs/dbraw/zinc/26/37/78/1079263778.db2.gz QSYUSSOFMDSTIM-KRWDZBQOSA-N 1 1 412.552 2.802 20 0 HFADMO COC[C@]1(C)CC[N@@H+](C[C@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)C1 ZINC001170488899 1079274876 /nfs/dbraw/zinc/27/48/76/1079274876.db2.gz BJNSJFXPHFWOKB-PKOBYXMFSA-N 1 1 400.441 2.525 20 0 HFADMO COC(=O)N1CCC(CNC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)CC1 ZINC000805832599 1079271761 /nfs/dbraw/zinc/27/17/61/1079271761.db2.gz JEGBIJIQNQNPDI-UHFFFAOYSA-N 1 1 402.539 2.691 20 0 HFADMO C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC001130393004 1079273826 /nfs/dbraw/zinc/27/38/26/1079273826.db2.gz DICQHXJZOFVJIZ-UUOWRZLLSA-N 1 1 407.514 2.971 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000805763788 1079265464 /nfs/dbraw/zinc/26/54/64/1079265464.db2.gz PMKZWJMKJNBOQS-DLBZAZTESA-N 1 1 422.522 2.924 20 0 HFADMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]3C)CC2)cc1C ZINC001130369981 1079268601 /nfs/dbraw/zinc/26/86/01/1079268601.db2.gz LOMRWUQUIMROML-QRVBRYPASA-N 1 1 421.607 2.644 20 0 HFADMO COc1cc(CC(=O)OCC(=O)N2CC[NH+](Cc3ccccc3C)CC2)ccc1C ZINC000805767228 1079269129 /nfs/dbraw/zinc/26/91/29/1079269129.db2.gz SYKRWRXWLHXQSG-UHFFFAOYSA-N 1 1 410.514 2.742 20 0 HFADMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001130370449 1079269967 /nfs/dbraw/zinc/26/99/67/1079269967.db2.gz OLWYKSSIXFLEQP-QRVBRYPASA-N 1 1 421.607 2.733 20 0 HFADMO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000805802301 1079280915 /nfs/dbraw/zinc/28/09/15/1079280915.db2.gz RBBKOIGTVBZSJC-GLJUWKHASA-N 1 1 411.493 3.000 20 0 HFADMO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000805802301 1079280919 /nfs/dbraw/zinc/28/09/19/1079280919.db2.gz RBBKOIGTVBZSJC-GLJUWKHASA-N 1 1 411.493 3.000 20 0 HFADMO CNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000805829153 1079298827 /nfs/dbraw/zinc/29/88/27/1079298827.db2.gz XPWARQLITRGUHN-XJKSGUPXSA-N 1 1 412.328 2.837 20 0 HFADMO CNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000805829153 1079298829 /nfs/dbraw/zinc/29/88/29/1079298829.db2.gz XPWARQLITRGUHN-XJKSGUPXSA-N 1 1 412.328 2.837 20 0 HFADMO COC(=O)N1CCC(CNC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000805831822 1079300321 /nfs/dbraw/zinc/30/03/21/1079300321.db2.gz SQISFMPPPJELGF-MSOLQXFVSA-N 1 1 402.539 2.769 20 0 HFADMO CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001170491100 1079306249 /nfs/dbraw/zinc/30/62/49/1079306249.db2.gz SCQJKHZUQIMGIQ-FUHWJXTLSA-N 1 1 416.347 2.857 20 0 HFADMO CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001170491100 1079306257 /nfs/dbraw/zinc/30/62/57/1079306257.db2.gz SCQJKHZUQIMGIQ-FUHWJXTLSA-N 1 1 416.347 2.857 20 0 HFADMO CC(C)N(C)C[C@@H](O)C[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001170491100 1079306265 /nfs/dbraw/zinc/30/62/65/1079306265.db2.gz SCQJKHZUQIMGIQ-FUHWJXTLSA-N 1 1 416.347 2.857 20 0 HFADMO CC(C)N(C)C[C@@H](O)C[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001170491100 1079306269 /nfs/dbraw/zinc/30/62/69/1079306269.db2.gz SCQJKHZUQIMGIQ-FUHWJXTLSA-N 1 1 416.347 2.857 20 0 HFADMO COCC[N@@H+]1CCN(C(=O)c2cc(I)ccc2C)C(C)(C)C1 ZINC001130421000 1079340799 /nfs/dbraw/zinc/34/07/99/1079340799.db2.gz JJFNTGWDQOJXOB-UHFFFAOYSA-N 1 1 416.303 2.782 20 0 HFADMO COCC[N@H+]1CCN(C(=O)c2cc(I)ccc2C)C(C)(C)C1 ZINC001130421000 1079340803 /nfs/dbraw/zinc/34/08/03/1079340803.db2.gz JJFNTGWDQOJXOB-UHFFFAOYSA-N 1 1 416.303 2.782 20 0 HFADMO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000805940742 1079343224 /nfs/dbraw/zinc/34/32/24/1079343224.db2.gz BDHJGQFSNYXMKB-KNQAVFIVSA-N 1 1 411.546 2.514 20 0 HFADMO C[C@@H](CNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000805941896 1079344311 /nfs/dbraw/zinc/34/43/11/1079344311.db2.gz CFGJAUNFBAORJY-WMZHIEFXSA-N 1 1 423.557 2.907 20 0 HFADMO COC(=O)c1ccc(F)c(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)c1 ZINC000747284060 1079355942 /nfs/dbraw/zinc/35/59/42/1079355942.db2.gz NZCKSBPWRPFEOB-INIZCTEOSA-N 1 1 420.506 2.897 20 0 HFADMO COC(=O)c1ccc(F)c(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)c1 ZINC000747284060 1079355948 /nfs/dbraw/zinc/35/59/48/1079355948.db2.gz NZCKSBPWRPFEOB-INIZCTEOSA-N 1 1 420.506 2.897 20 0 HFADMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cn(Cc2ccccn2)nn1 ZINC001130458984 1079382737 /nfs/dbraw/zinc/38/27/37/1079382737.db2.gz YBQNLIPEXSQRDP-GBESFXJTSA-N 1 1 404.518 2.845 20 0 HFADMO O=S(=O)(/C=C/c1ccc(Br)cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000747290085 1079388100 /nfs/dbraw/zinc/38/81/00/1079388100.db2.gz ABUBJGMHJRRVJB-VGOFMYFVSA-N 1 1 415.353 2.546 20 0 HFADMO C[C@H](CNC(=O)[C@@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130472388 1079398895 /nfs/dbraw/zinc/39/88/95/1079398895.db2.gz PGPJQKXPSIWNBJ-GBSAAQIZSA-N 1 1 409.571 2.638 20 0 HFADMO C[C@H](CNC(=O)[C@@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130472388 1079398901 /nfs/dbraw/zinc/39/89/01/1079398901.db2.gz PGPJQKXPSIWNBJ-GBSAAQIZSA-N 1 1 409.571 2.638 20 0 HFADMO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccccc3N3CCOCC3)cc2)CC1 ZINC001170496591 1079413812 /nfs/dbraw/zinc/41/38/12/1079413812.db2.gz UYHGTMHFGUOCJA-XEVCZEQESA-N 1 1 408.546 2.895 20 0 HFADMO C[NH+](C)[C@@H](CNC(=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1ccco1 ZINC000747300572 1079417021 /nfs/dbraw/zinc/41/70/21/1079417021.db2.gz ZZQCGIFSRXYIEY-LSDHHAIUSA-N 1 1 401.385 2.814 20 0 HFADMO CC(C)NC(=O)c1ccc(C(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001130527147 1079435942 /nfs/dbraw/zinc/43/59/42/1079435942.db2.gz ACNLFLFFLKMBKD-XZOQPEGZSA-N 1 1 421.541 2.940 20 0 HFADMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001130518223 1079449446 /nfs/dbraw/zinc/44/94/46/1079449446.db2.gz ILSABPOKXLRZIM-UXHICEINSA-N 1 1 405.564 2.608 20 0 HFADMO Cc1cccc2nc(C(=O)Nc3ccc(OCCC[NH+]4CCN(C)CC4)cc3)cn21 ZINC001130542175 1079462855 /nfs/dbraw/zinc/46/28/55/1079462855.db2.gz QXDINPGFAMZZMP-UHFFFAOYSA-N 1 1 407.518 2.911 20 0 HFADMO CC(C)n1cc([C@@H](C)NC(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000806158344 1079471756 /nfs/dbraw/zinc/47/17/56/1079471756.db2.gz XYDDOUMKQZAFBM-JPYJTQIMSA-N 1 1 411.550 2.670 20 0 HFADMO Cc1c(CC(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)nnn1-c1ccc(C)cc1 ZINC001130550947 1079487773 /nfs/dbraw/zinc/48/77/73/1079487773.db2.gz UDIIZXRLMSBLKO-JOCHJYFZSA-N 1 1 403.530 2.812 20 0 HFADMO Cc1c(CC(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)nnn1-c1ccc(C)cc1 ZINC001130550947 1079487775 /nfs/dbraw/zinc/48/77/75/1079487775.db2.gz UDIIZXRLMSBLKO-JOCHJYFZSA-N 1 1 403.530 2.812 20 0 HFADMO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000787332481 1076744903 /nfs/dbraw/zinc/74/49/03/1076744903.db2.gz LNDJXQIMLBDQKC-JENIJYKNSA-N 1 1 424.586 2.527 20 0 HFADMO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000787335848 1076746671 /nfs/dbraw/zinc/74/66/71/1076746671.db2.gz VWOARKMIXJMFFG-KSZLIROESA-N 1 1 424.586 2.669 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000787300971 1076748659 /nfs/dbraw/zinc/74/86/59/1076748659.db2.gz ZYODKCHGPKNUDT-OVNVTHAWSA-N 1 1 416.587 2.870 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000787300971 1076748664 /nfs/dbraw/zinc/74/86/64/1076748664.db2.gz ZYODKCHGPKNUDT-OVNVTHAWSA-N 1 1 416.587 2.870 20 0 HFADMO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000787300971 1076748670 /nfs/dbraw/zinc/74/86/70/1076748670.db2.gz ZYODKCHGPKNUDT-OVNVTHAWSA-N 1 1 416.587 2.870 20 0 HFADMO C[C@H](NC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CC(N)=O)C1)c1ccccc1 ZINC000746676435 1076750443 /nfs/dbraw/zinc/75/04/43/1076750443.db2.gz VVDVLQVPEHTQBK-ZWKOTPCHSA-N 1 1 422.529 2.704 20 0 HFADMO C[C@H](NC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](CC(N)=O)C1)c1ccccc1 ZINC000746676435 1076750446 /nfs/dbraw/zinc/75/04/46/1076750446.db2.gz VVDVLQVPEHTQBK-ZWKOTPCHSA-N 1 1 422.529 2.704 20 0 HFADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000787308321 1076755845 /nfs/dbraw/zinc/75/58/45/1076755845.db2.gz PPQDMQYRXAEGKG-MRXNPFEDSA-N 1 1 405.539 2.629 20 0 HFADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000787308317 1076755916 /nfs/dbraw/zinc/75/59/16/1076755916.db2.gz PPQDMQYRXAEGKG-INIZCTEOSA-N 1 1 405.539 2.629 20 0 HFADMO C[C@@H]1CN(C(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)CC[N@H+]1CC(C)(C)O ZINC000787315103 1076759452 /nfs/dbraw/zinc/75/94/52/1076759452.db2.gz VHJXZWUUKMOIKI-MRXNPFEDSA-N 1 1 405.539 2.629 20 0 HFADMO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)[C@@H]1C ZINC000787324725 1076767840 /nfs/dbraw/zinc/76/78/40/1076767840.db2.gz CUDCASVRBIZQJD-IEBWSBKVSA-N 1 1 423.513 2.747 20 0 HFADMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)[C@@H]1C ZINC000787324725 1076767853 /nfs/dbraw/zinc/76/78/53/1076767853.db2.gz CUDCASVRBIZQJD-IEBWSBKVSA-N 1 1 423.513 2.747 20 0 HFADMO C[C@@H]1CC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)[C@H]1c1cccc(F)c1 ZINC000746679595 1076775019 /nfs/dbraw/zinc/77/50/19/1076775019.db2.gz PXEGWWTUQYOUSU-DNVCBOLYSA-N 1 1 416.497 2.885 20 0 HFADMO Cn1cc(C[C@H]2CC[N@H+](Cc3nc(C(C)(C)NC(=O)OC(C)(C)C)no3)C2)cn1 ZINC000746679606 1076775548 /nfs/dbraw/zinc/77/55/48/1076775548.db2.gz QBXTWIWMCTYSKP-CQSZACIVSA-N 1 1 404.515 2.628 20 0 HFADMO Cn1cc(C[C@H]2CC[N@@H+](Cc3nc(C(C)(C)NC(=O)OC(C)(C)C)no3)C2)cn1 ZINC000746679606 1076775557 /nfs/dbraw/zinc/77/55/57/1076775557.db2.gz QBXTWIWMCTYSKP-CQSZACIVSA-N 1 1 404.515 2.628 20 0 HFADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787370717 1076777571 /nfs/dbraw/zinc/77/75/71/1076777571.db2.gz CJUJZJBGVPGZPY-JKSUJKDBSA-N 1 1 405.543 2.548 20 0 HFADMO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787370717 1076777580 /nfs/dbraw/zinc/77/75/80/1076777580.db2.gz CJUJZJBGVPGZPY-JKSUJKDBSA-N 1 1 405.543 2.548 20 0 HFADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787370717 1076777592 /nfs/dbraw/zinc/77/75/92/1076777592.db2.gz CJUJZJBGVPGZPY-JKSUJKDBSA-N 1 1 405.543 2.548 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)[nH]n2)C1 ZINC000787379926 1076779690 /nfs/dbraw/zinc/77/96/90/1076779690.db2.gz AKNXLUMPKAWXFB-SJORKVTESA-N 1 1 417.554 2.692 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)[nH]n2)C1 ZINC000787337952 1076782854 /nfs/dbraw/zinc/78/28/54/1076782854.db2.gz USYDCCJTFNXDQB-SJORKVTESA-N 1 1 417.554 2.835 20 0 HFADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2c(Br)nc3n2CCOC3)CC1 ZINC001170072842 1076808726 /nfs/dbraw/zinc/80/87/26/1076808726.db2.gz PSRLSSMJPGNUBH-AWEZNQCLSA-N 1 1 419.323 2.695 20 0 HFADMO Cn1ccnc1[C@H](O)C1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC1 ZINC000787453039 1076817053 /nfs/dbraw/zinc/81/70/53/1076817053.db2.gz FJSCQNMWGHIGCW-QGZVFWFLSA-N 1 1 416.432 2.524 20 0 HFADMO COc1cccc([C@@H]2CCCN2C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)c1 ZINC000787481613 1076840054 /nfs/dbraw/zinc/84/00/54/1076840054.db2.gz OMKFIBKEJYWAFX-FQEVSTJZSA-N 1 1 419.485 2.564 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCCCC[C@H]2c2ccco2)cn1 ZINC000787483021 1076840685 /nfs/dbraw/zinc/84/06/85/1076840685.db2.gz DIZLEECLBGVJOJ-SFHVURJKSA-N 1 1 407.474 2.929 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)cn1 ZINC000787482687 1076841020 /nfs/dbraw/zinc/84/10/20/1076841020.db2.gz WHYSHRDJLHOYKS-OXJNMPFZSA-N 1 1 403.486 2.597 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H](C)C(C)(C)c2ccccc2)cn1 ZINC000787483513 1076841860 /nfs/dbraw/zinc/84/18/60/1076841860.db2.gz FPNZNCOHPQNMTF-INIZCTEOSA-N 1 1 405.502 2.674 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@H]2c2ccc(C)cc2)cn1 ZINC000787487011 1076844025 /nfs/dbraw/zinc/84/40/25/1076844025.db2.gz AQHOLAAXSRKJRG-FQEVSTJZSA-N 1 1 403.486 2.864 20 0 HFADMO CC1=CC[N@@H+](CCNC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC1 ZINC000787525631 1076847501 /nfs/dbraw/zinc/84/75/01/1076847501.db2.gz QEEPXZLVPSGGSA-MRXNPFEDSA-N 1 1 403.527 2.516 20 0 HFADMO CC1=CC[N@@H+](CCNC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC1 ZINC000787525629 1076847575 /nfs/dbraw/zinc/84/75/75/1076847575.db2.gz QEEPXZLVPSGGSA-INIZCTEOSA-N 1 1 403.527 2.516 20 0 HFADMO C[C@H]1CCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)CC[N@@H+]1Cc1ccccc1 ZINC000746692324 1076847743 /nfs/dbraw/zinc/84/77/43/1076847743.db2.gz RVINKLHEJVQRID-KRWDZBQOSA-N 1 1 422.554 2.808 20 0 HFADMO C[C@H]1CCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)CC[N@H+]1Cc1ccccc1 ZINC000746692324 1076847750 /nfs/dbraw/zinc/84/77/50/1076847750.db2.gz RVINKLHEJVQRID-KRWDZBQOSA-N 1 1 422.554 2.808 20 0 HFADMO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC1 ZINC000787580108 1076870965 /nfs/dbraw/zinc/87/09/65/1076870965.db2.gz CBFLCUJKEAESAW-JKSUJKDBSA-N 1 1 405.543 2.690 20 0 HFADMO C[N@@H+]1C[C@H]2CN(C(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)C[C@H]2C1 ZINC000787633977 1076885534 /nfs/dbraw/zinc/88/55/34/1076885534.db2.gz BRCCNEINCWUKPJ-BDTNDASRSA-N 1 1 407.514 2.544 20 0 HFADMO C[C@@H](NC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000787674492 1076890110 /nfs/dbraw/zinc/89/01/10/1076890110.db2.gz HRILGBLJYYYGTJ-UONOGXRCSA-N 1 1 401.429 2.611 20 0 HFADMO C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1)c1ccsc1 ZINC000787636924 1076891237 /nfs/dbraw/zinc/89/12/37/1076891237.db2.gz JFPHGZBGPKJPFE-WOJBJXKFSA-N 1 1 415.559 2.751 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)cn1 ZINC000787644116 1076894611 /nfs/dbraw/zinc/89/46/11/1076894611.db2.gz IBVOICWIDIXUSS-SECBINFHSA-N 1 1 424.408 2.867 20 0 HFADMO C[C@H](NC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1nc2ccccc2s1 ZINC000787649546 1076897507 /nfs/dbraw/zinc/89/75/07/1076897507.db2.gz ASSHSATUJYWCMI-WFASDCNBSA-N 1 1 402.545 2.954 20 0 HFADMO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000787668845 1076905202 /nfs/dbraw/zinc/90/52/02/1076905202.db2.gz HPOAZHXSCLPLJI-DOTOQJQBSA-N 1 1 411.468 2.869 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000787681482 1076909521 /nfs/dbraw/zinc/90/95/21/1076909521.db2.gz CSIKPWMHXYXBBJ-ZSYKKXJESA-N 1 1 423.513 2.762 20 0 HFADMO Cc1ccccc1CN1CC[NH+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000787690435 1076912830 /nfs/dbraw/zinc/91/28/30/1076912830.db2.gz YKDZEVOVPGDIFX-NZQKXSOJSA-N 1 1 403.567 2.873 20 0 HFADMO Cc1cccc(Cn2[nH]ccc2=NC(=O)CN[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000787692842 1076914694 /nfs/dbraw/zinc/91/46/94/1076914694.db2.gz XVRDDIYQMPYTNM-URXFXBBRSA-N 1 1 403.530 2.635 20 0 HFADMO Cc1cccc(Cn2[nH]ccc2=NC(=O)CN[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000787692842 1076914695 /nfs/dbraw/zinc/91/46/95/1076914695.db2.gz XVRDDIYQMPYTNM-URXFXBBRSA-N 1 1 403.530 2.635 20 0 HFADMO Cc1ccc(N2CCNC2=O)cc1NC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000787695846 1076916106 /nfs/dbraw/zinc/91/61/06/1076916106.db2.gz YHYOOLPOIYGHRU-NRFANRHFSA-N 1 1 408.502 2.661 20 0 HFADMO Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)C2)cc1 ZINC000787709427 1076921108 /nfs/dbraw/zinc/92/11/08/1076921108.db2.gz WZSIOUKBPPEZJN-QHAWAJNXSA-N 1 1 414.594 2.564 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@@H]([N@H+]2CCCN(C(=O)c3ccsc3)CC2)C1 ZINC000787710565 1076922246 /nfs/dbraw/zinc/92/22/46/1076922246.db2.gz LWOXMIFQLIVFJD-LAUBAEHRSA-N 1 1 423.579 2.656 20 0 HFADMO C[C@H](c1cccnc1)N1CC[NH+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000787715227 1076923755 /nfs/dbraw/zinc/92/37/55/1076923755.db2.gz BWYNVIOLDNYTGJ-SFGWALBWSA-N 1 1 404.555 2.521 20 0 HFADMO CC(C)(C)OC(=O)NCCOCC[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000787717924 1076924947 /nfs/dbraw/zinc/92/49/47/1076924947.db2.gz OWCLJTMPJALTOL-UHFFFAOYSA-N 1 1 405.495 2.543 20 0 HFADMO CC(C)(C)OC(=O)NCCOCC[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000787718653 1076925262 /nfs/dbraw/zinc/92/52/62/1076925262.db2.gz SFXTVNMVALKMCO-UHFFFAOYSA-N 1 1 409.502 2.515 20 0 HFADMO O=C(NCc1cnc(N2CCOCC2)s1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000787757212 1076928650 /nfs/dbraw/zinc/92/86/50/1076928650.db2.gz SXDYQCZNZMBWEJ-QGZVFWFLSA-N 1 1 418.538 2.647 20 0 HFADMO C[C@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)[C@H](O)c1ccc2c(c1)OCO2 ZINC000787728751 1076933228 /nfs/dbraw/zinc/93/32/28/1076933228.db2.gz MVQTWAPNYVWZHI-VOJFVSQTSA-N 1 1 416.384 2.786 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@H]([NH+]2CCN(c3cc(F)ccc3F)CC2)C1 ZINC000787730858 1076933787 /nfs/dbraw/zinc/93/37/87/1076933787.db2.gz PDRVGMCZRLTVDO-WIYYLYMNSA-N 1 1 411.493 2.847 20 0 HFADMO CCCn1c(C(=O)OCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc2ccccc21 ZINC000787867922 1076988016 /nfs/dbraw/zinc/98/80/16/1076988016.db2.gz AOMQDDNMRJKKPC-IBGZPJMESA-N 1 1 415.534 2.681 20 0 HFADMO Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000787904269 1076988611 /nfs/dbraw/zinc/98/86/11/1076988611.db2.gz QVPRXMXDSQZFTG-NHCUHLMSSA-N 1 1 414.594 2.851 20 0 HFADMO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000787913628 1076992668 /nfs/dbraw/zinc/99/26/68/1076992668.db2.gz WVNQQFMUVZMEBF-CTNGQTDRSA-N 1 1 403.567 2.505 20 0 HFADMO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)CCC2 ZINC000787916671 1076994262 /nfs/dbraw/zinc/99/42/62/1076994262.db2.gz YIRGTSUOOCGTJR-RVKKMQEKSA-N 1 1 406.596 2.819 20 0 HFADMO C[C@@H]1CN(C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C(C)(C)C1 ZINC000746720691 1077008916 /nfs/dbraw/zinc/00/89/16/1077008916.db2.gz BBTCRJSOYOCPHQ-KRWDZBQOSA-N 1 1 401.555 2.549 20 0 HFADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2ccc(OCc3cccnc3)cc2)CC1 ZINC000746723100 1077021640 /nfs/dbraw/zinc/02/16/40/1077021640.db2.gz BRMUSVZETYOTPA-KRWDZBQOSA-N 1 1 412.490 2.762 20 0 HFADMO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1)c1ccc(F)cc1 ZINC000788004130 1077026329 /nfs/dbraw/zinc/02/63/29/1077026329.db2.gz UDRAXARJKUNMSA-HZPDHXFCSA-N 1 1 423.529 2.743 20 0 HFADMO C[C@H](NC(=O)CC1CCC2(CC1)OCCO2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000788096479 1077057406 /nfs/dbraw/zinc/05/74/06/1077057406.db2.gz UXQFPJOFTUWTHU-RXVVDRJESA-N 1 1 402.535 2.716 20 0 HFADMO C[C@H](NC(=O)CC1CCC2(CC1)OCCO2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000788096479 1077057413 /nfs/dbraw/zinc/05/74/13/1077057413.db2.gz UXQFPJOFTUWTHU-RXVVDRJESA-N 1 1 402.535 2.716 20 0 HFADMO Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)c3cccnc3C(F)(F)F)CC2)c1 ZINC000788128589 1077060840 /nfs/dbraw/zinc/06/08/40/1077060840.db2.gz VJQYRVJPTYBNLJ-UHFFFAOYSA-N 1 1 421.419 2.910 20 0 HFADMO Cc1ccc(NC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1N1CCOC1=O ZINC000746733248 1077066910 /nfs/dbraw/zinc/06/69/10/1077066910.db2.gz QIIJEOUYYVQIAZ-IYBDPMFKSA-N 1 1 404.511 2.961 20 0 HFADMO Cc1ccc(NC(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1N1CCOC1=O ZINC000746733248 1077066918 /nfs/dbraw/zinc/06/69/18/1077066918.db2.gz QIIJEOUYYVQIAZ-IYBDPMFKSA-N 1 1 404.511 2.961 20 0 HFADMO Cc1ccc(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1N1CCOC1=O ZINC000746733244 1077067023 /nfs/dbraw/zinc/06/70/23/1077067023.db2.gz QIIJEOUYYVQIAZ-HZPDHXFCSA-N 1 1 404.511 2.961 20 0 HFADMO COc1cc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cnc1Br ZINC000788171383 1077074368 /nfs/dbraw/zinc/07/43/68/1077074368.db2.gz FLZLWYNJHZWTEI-UMVBOHGHSA-N 1 1 412.328 2.567 20 0 HFADMO COCCOc1cc(OC)ccc1C(=O)O[C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000788360880 1077125524 /nfs/dbraw/zinc/12/55/24/1077125524.db2.gz ZXQJBNDWTJKCEL-SFHVURJKSA-N 1 1 415.490 2.953 20 0 HFADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCCSC(C)(C)C ZINC000788362608 1077126177 /nfs/dbraw/zinc/12/61/77/1077126177.db2.gz FWPOBLRMRXZVHX-SFHVURJKSA-N 1 1 406.596 2.542 20 0 HFADMO C[C@@H](C[NH+]1CCOCC1)N(C)Cn1nc(-c2ccccc2)cc(C(F)(F)F)c1=O ZINC000788377273 1077134382 /nfs/dbraw/zinc/13/43/82/1077134382.db2.gz LJZFVDMJYLHWCD-HNNXBMFYSA-N 1 1 410.440 2.539 20 0 HFADMO O=C1N[C@@H](Cc2ccccc2)C(=O)N1CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788383069 1077137133 /nfs/dbraw/zinc/13/71/33/1077137133.db2.gz UGTSSWFIPJXDIR-FQEVSTJZSA-N 1 1 407.518 2.519 20 0 HFADMO CC(C)n1ncc2cc(C[NH2+]CCNS(=O)(=O)c3cccs3)c(Cl)nc21 ZINC000746747280 1077163500 /nfs/dbraw/zinc/16/35/00/1077163500.db2.gz HDMRMEWMEJNTLJ-UHFFFAOYSA-N 1 1 413.956 2.795 20 0 HFADMO C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000788473654 1077171028 /nfs/dbraw/zinc/17/10/28/1077171028.db2.gz VKFOKGJFIBWVOL-MLGOLLRUSA-N 1 1 407.312 2.945 20 0 HFADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCCSC(F)(F)F ZINC000788541522 1077194647 /nfs/dbraw/zinc/19/46/47/1077194647.db2.gz DSNOCDIREYMBLC-OAHLLOKOSA-N 1 1 417.497 2.773 20 0 HFADMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000788564580 1077200323 /nfs/dbraw/zinc/20/03/23/1077200323.db2.gz SRLRRRDEGXLZLO-JQHSSLGASA-N 1 1 409.452 2.764 20 0 HFADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)NCCSC(F)(F)F)CC1 ZINC000788529230 1077203185 /nfs/dbraw/zinc/20/31/85/1077203185.db2.gz VKQWTWVJURUWIK-CQSZACIVSA-N 1 1 409.518 2.859 20 0 HFADMO C[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1nc(Br)ccc1F ZINC000788565944 1077208208 /nfs/dbraw/zinc/20/82/08/1077208208.db2.gz XECXRKXCFDWHST-GHMZBOCLSA-N 1 1 413.243 2.802 20 0 HFADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)C1 ZINC000788653298 1077226810 /nfs/dbraw/zinc/22/68/10/1077226810.db2.gz FGZPFSQGBZTWBZ-DUXKGJEZSA-N 1 1 424.545 2.815 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)C[C@H](C)O1 ZINC000788627994 1077235403 /nfs/dbraw/zinc/23/54/03/1077235403.db2.gz VAJJWPIRPXZFBB-MYXHWSLCSA-N 1 1 407.458 2.887 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)C[C@H](C)O1 ZINC000788627994 1077235407 /nfs/dbraw/zinc/23/54/07/1077235407.db2.gz VAJJWPIRPXZFBB-MYXHWSLCSA-N 1 1 407.458 2.887 20 0 HFADMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)[C@H](C)C1 ZINC000788634459 1077239993 /nfs/dbraw/zinc/23/99/93/1077239993.db2.gz JYRVIDDYPJQETN-PWSUYJOCSA-N 1 1 408.973 2.847 20 0 HFADMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)C[C@@H]1C ZINC000788635436 1077240932 /nfs/dbraw/zinc/24/09/32/1077240932.db2.gz YJAIYKAHGLQWID-JQWIXIFHSA-N 1 1 408.973 2.990 20 0 HFADMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000788643164 1077244441 /nfs/dbraw/zinc/24/44/41/1077244441.db2.gz JLOVROOFLIYFQK-NSISKUIASA-N 1 1 410.518 2.569 20 0 HFADMO CCOC(=O)[C@@H]1[C@@H](NC[C@H]2CCC[N@@H+](CC(C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000788672882 1077262756 /nfs/dbraw/zinc/26/27/56/1077262756.db2.gz SSKVQOQUFGPOGC-QYZOEREBSA-N 1 1 411.587 2.885 20 0 HFADMO 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C[NH+]1CCN(c2ccc(NC(=O)CN3CCc4ccccc4C3=O)cc2Cl)CC1 ZINC000788745104 1077287725 /nfs/dbraw/zinc/28/77/25/1077287725.db2.gz DFEDQAMBSAHSPG-UHFFFAOYSA-N 1 1 412.921 2.729 20 0 HFADMO C[C@@H]1CN(c2ccc(NC(=O)c3cc4c(nc[nH+]c4N(C)C)n3C)cc2)C[C@H](C)O1 ZINC000791122158 1077293562 /nfs/dbraw/zinc/29/35/62/1077293562.db2.gz STHFIJQXDOUHLZ-GASCZTMLSA-N 1 1 408.506 2.900 20 0 HFADMO CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000788806047 1077293649 /nfs/dbraw/zinc/29/36/49/1077293649.db2.gz XITRCKSTAJVICF-IBGZPJMESA-N 1 1 415.534 2.757 20 0 HFADMO CN1CC[NH+](CCCNC(=O)CCc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC000791124069 1077294258 /nfs/dbraw/zinc/29/42/58/1077294258.db2.gz MZNYOQTXOMDMSR-UHFFFAOYSA-N 1 1 404.555 2.720 20 0 HFADMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)C1 ZINC000788772074 1077295478 /nfs/dbraw/zinc/29/54/78/1077295478.db2.gz ONXJACMPGXEDEQ-MOPGFXCFSA-N 1 1 415.534 2.798 20 0 HFADMO 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CCOC(=O)[C@H]1[C@@H]([NH2+]Cc2ccc3c(n2)CCCC3)CCN1C(=O)OC(C)(C)C ZINC000788774905 1077297514 /nfs/dbraw/zinc/29/75/14/1077297514.db2.gz IPNCCWMPXKSLIL-RBUKOAKNSA-N 1 1 403.523 2.991 20 0 HFADMO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CN1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000788781166 1077299868 /nfs/dbraw/zinc/29/98/68/1077299868.db2.gz ZGNKIRGSQGTPRS-QRQLOZEOSA-N 1 1 415.534 2.797 20 0 HFADMO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CN1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000788781166 1077299877 /nfs/dbraw/zinc/29/98/77/1077299877.db2.gz ZGNKIRGSQGTPRS-QRQLOZEOSA-N 1 1 415.534 2.797 20 0 HFADMO C[C@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O)[N@@H+](C)Cc1ccccc1 ZINC000788787818 1077303851 /nfs/dbraw/zinc/30/38/51/1077303851.db2.gz SURQQXDDCFGHNP-DENIHFKCSA-N 1 1 408.546 2.949 20 0 HFADMO CN(C)[C@@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000746767150 1077310497 /nfs/dbraw/zinc/31/04/97/1077310497.db2.gz VBSLFNREPNYVFZ-PMACEKPBSA-N 1 1 408.974 2.885 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000788852509 1077320081 /nfs/dbraw/zinc/32/00/81/1077320081.db2.gz HFQORQUBQQOSJK-FGTMMUONSA-N 1 1 418.538 2.845 20 0 HFADMO C[C@@H](OC(=O)c1c(F)cc(O)cc1F)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000746986379 1077323799 /nfs/dbraw/zinc/32/37/99/1077323799.db2.gz JAZGZYYBYXMFES-CQSZACIVSA-N 1 1 418.440 2.997 20 0 HFADMO CC(C)[C@@H](NC(=O)NCC[NH+]1CCN(c2ccccc2)CC1)[C@@H](O)c1ccccc1 ZINC000788863691 1077324211 /nfs/dbraw/zinc/32/42/11/1077324211.db2.gz FYBBFTBWVBSEHX-PKTZIBPZSA-N 1 1 410.562 2.866 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)NCCCN(C(=O)OC(C)(C)C)C2CC2)C[C@H](C)O1 ZINC000788873824 1077325813 /nfs/dbraw/zinc/32/58/13/1077325813.db2.gz FOKWPWHNRNENJN-CALCHBBNSA-N 1 1 412.575 2.527 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)NCCCN(C(=O)OC(C)(C)C)C2CC2)C[C@H](C)O1 ZINC000788873824 1077325816 /nfs/dbraw/zinc/32/58/16/1077325816.db2.gz FOKWPWHNRNENJN-CALCHBBNSA-N 1 1 412.575 2.527 20 0 HFADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NS(=O)(=O)C1=Cc2ccccc2OC1 ZINC000788897606 1077343523 /nfs/dbraw/zinc/34/35/23/1077343523.db2.gz CLTPBRNDYHMDJO-SFHVURJKSA-N 1 1 413.543 2.550 20 0 HFADMO O=C(Cc1cccnc1Br)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000791331770 1077376557 /nfs/dbraw/zinc/37/65/57/1077376557.db2.gz XFNWBBWASZWBJG-UHFFFAOYSA-N 1 1 404.308 2.535 20 0 HFADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC000788998088 1077377209 /nfs/dbraw/zinc/37/72/09/1077377209.db2.gz VDGHHMOEKLOSLZ-QGZVFWFLSA-N 1 1 410.946 2.646 20 0 HFADMO Cc1ccc(NC(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)cc1N1CCOC1=O ZINC000746779947 1077378688 /nfs/dbraw/zinc/37/86/88/1077378688.db2.gz CYCASUIKVQNDMG-UHFFFAOYSA-N 1 1 416.522 2.661 20 0 HFADMO COc1ccccc1C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000747010419 1077400046 /nfs/dbraw/zinc/40/00/46/1077400046.db2.gz CMRILFKKJKNBRY-LJQANCHMSA-N 1 1 419.485 2.757 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000791467592 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Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@@H+](C)[C@H](C)CN2CCOCC2)c1 ZINC000789340206 1077527994 /nfs/dbraw/zinc/52/79/94/1077527994.db2.gz LDOZMBYCDIBZOV-LJQANCHMSA-N 1 1 424.545 2.838 20 0 HFADMO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@H+](C)[C@H](C)CN2CCOCC2)c1 ZINC000789340206 1077527997 /nfs/dbraw/zinc/52/79/97/1077527997.db2.gz LDOZMBYCDIBZOV-LJQANCHMSA-N 1 1 424.545 2.838 20 0 HFADMO CC(=O)Nc1ccc2c(C[N@H+](C)C3CCN(c4cnccn4)CC3)cc(=O)oc2c1 ZINC000789365889 1077540039 /nfs/dbraw/zinc/54/00/39/1077540039.db2.gz KRUJSPOQTPOHTF-UHFFFAOYSA-N 1 1 407.474 2.642 20 0 HFADMO CCCOc1nc(C)ccc1C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000791733089 1077543587 /nfs/dbraw/zinc/54/35/87/1077543587.db2.gz PMTKMWJLRXQJLW-UHFFFAOYSA-N 1 1 411.502 2.680 20 0 HFADMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCCC3)c(F)c2)C1 ZINC000746802772 1077543836 /nfs/dbraw/zinc/54/38/36/1077543836.db2.gz IQBXLPMOWLNJHI-QGZVFWFLSA-N 1 1 402.514 2.555 20 0 HFADMO COc1nc(Br)ccc1NC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000789379156 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Cc1[nH+]ccn1CCCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000792827326 1078006583 /nfs/dbraw/zinc/00/65/83/1078006583.db2.gz CFSUZVGPLWLZQY-FQEVSTJZSA-N 1 1 413.522 2.930 20 0 HFADMO COc1ncc(C(=O)OCC(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1Cl ZINC000792859245 1078010075 /nfs/dbraw/zinc/01/00/75/1078010075.db2.gz BGMLOVFDRAQVAY-UHFFFAOYSA-N 1 1 417.893 2.553 20 0 HFADMO CN1CC[NH+](CCCNC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CC1 ZINC000792849816 1078014364 /nfs/dbraw/zinc/01/43/64/1078014364.db2.gz OHZXPSGPFDSMBT-UHFFFAOYSA-N 1 1 416.566 2.742 20 0 HFADMO CC1(C)CN=C(N2CCN(C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)S1 ZINC000792872811 1078015317 /nfs/dbraw/zinc/01/53/17/1078015317.db2.gz PQZWKLWTKMKFBU-HXUWFJFHSA-N 1 1 402.608 2.777 20 0 HFADMO COc1ccc(OC)c(C[N@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c1 ZINC000747090186 1078017771 /nfs/dbraw/zinc/01/77/71/1078017771.db2.gz HTBRFSFFSYPPSR-INIZCTEOSA-N 1 1 421.538 2.557 20 0 HFADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)CCN(C)C(=O)OCc2ccccc2)C[C@H](C)O1 ZINC000792896835 1078018897 /nfs/dbraw/zinc/01/88/97/1078018897.db2.gz FJJKXQDQSNGTMB-HDICACEKSA-N 1 1 405.539 2.649 20 0 HFADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)CCN(C)C(=O)OCc2ccccc2)C[C@H](C)O1 ZINC000792896835 1078018901 /nfs/dbraw/zinc/01/89/01/1078018901.db2.gz FJJKXQDQSNGTMB-HDICACEKSA-N 1 1 405.539 2.649 20 0 HFADMO C[C@]12CC[N@H+](CC(=O)N3CCN(Cc4cccs4)CC3)C[C@H]1C2(Cl)Cl ZINC000792900887 1078019583 /nfs/dbraw/zinc/01/95/83/1078019583.db2.gz FIDNRFWLGHTAIZ-WBVHZDCISA-N 1 1 402.391 2.908 20 0 HFADMO C[C@]12CC[N@@H+](CC(=O)N3CCN(Cc4cccs4)CC3)C[C@H]1C2(Cl)Cl ZINC000792900887 1078019587 /nfs/dbraw/zinc/01/95/87/1078019587.db2.gz FIDNRFWLGHTAIZ-WBVHZDCISA-N 1 1 402.391 2.908 20 0 HFADMO C[C@H]1OCC[C@]12C[N@@H+](Cn1ccc(=O)c3cccc(Br)c31)C[C@@H](C)O2 ZINC000790407397 1078019852 /nfs/dbraw/zinc/01/98/52/1078019852.db2.gz RPMLETFEOMUGCB-LPMFXHHGSA-N 1 1 407.308 2.990 20 0 HFADMO CN(C(=O)C[N@H+]1CC[C@]2(C1)CCCOC2)c1ccccc1C(=O)NCc1ccco1 ZINC000792939208 1078022057 /nfs/dbraw/zinc/02/20/57/1078022057.db2.gz GOPHTJVJKBJKKR-QHCPKHFHSA-N 1 1 411.502 2.675 20 0 HFADMO CN(C[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H](O)COCc1cccs1)C(=O)OC(C)(C)C ZINC000792920880 1078026295 /nfs/dbraw/zinc/02/62/95/1078026295.db2.gz GHCPFNADLISTHA-HRCADAONSA-N 1 1 402.532 2.905 20 0 HFADMO CN(C[C@@H]1C[C@H](F)C[N@H+]1C[C@@H](O)COCc1cccs1)C(=O)OC(C)(C)C ZINC000792920880 1078026299 /nfs/dbraw/zinc/02/62/99/1078026299.db2.gz GHCPFNADLISTHA-HRCADAONSA-N 1 1 402.532 2.905 20 0 HFADMO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000792929199 1078027724 /nfs/dbraw/zinc/02/77/24/1078027724.db2.gz XIUIHPKMMMUOGD-SFHVURJKSA-N 1 1 414.550 2.678 20 0 HFADMO CCNC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000792929199 1078027728 /nfs/dbraw/zinc/02/77/28/1078027728.db2.gz XIUIHPKMMMUOGD-SFHVURJKSA-N 1 1 414.550 2.678 20 0 HFADMO COc1cccc([C@@H](C)[NH+]2CCN(C[C@@H](O)CCNC(=O)OC(C)(C)C)CC2)c1 ZINC000792971987 1078029987 /nfs/dbraw/zinc/02/99/87/1078029987.db2.gz DZCCDPHSKMVSKH-MJGOQNOKSA-N 1 1 407.555 2.650 20 0 HFADMO O=C(Nc1cccc(Cl)n1)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000792974302 1078030458 /nfs/dbraw/zinc/03/04/58/1078030458.db2.gz YRVZKWLPUPUBHR-UHFFFAOYSA-N 1 1 400.910 2.841 20 0 HFADMO COC(=O)c1c2cnn(C[N@H+]3CCC[C@@H](CCC(N)=O)C3)c2ccc1Br ZINC000790438319 1078031391 /nfs/dbraw/zinc/03/13/91/1078031391.db2.gz ILGQYCQUFKKXKC-LBPRGKRZSA-N 1 1 423.311 2.520 20 0 HFADMO COC(=O)c1c2cnn(CN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c2ccc1Br ZINC000790442657 1078033233 /nfs/dbraw/zinc/03/32/33/1078033233.db2.gz OGSNOJVGLNUHAF-CZUORRHYSA-N 1 1 421.339 2.959 20 0 HFADMO COC(=O)c1c2cnn(C[N@H+]3CC[C@@H](c4nccn4C)C3)c2ccc1Br ZINC000790443630 1078033343 /nfs/dbraw/zinc/03/33/43/1078033343.db2.gz YOCHMBZJEKOFPJ-GFCCVEGCSA-N 1 1 418.295 2.766 20 0 HFADMO Cc1ccc(NC(=O)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)nc1Br ZINC000792952596 1078033795 /nfs/dbraw/zinc/03/37/95/1078033795.db2.gz KCYLEPLJIYHQTR-CQSZACIVSA-N 1 1 411.344 2.862 20 0 HFADMO O=C(Nc1cccc(Br)n1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000792955041 1078034908 /nfs/dbraw/zinc/03/49/08/1078034908.db2.gz ACAYVMRJIVHCII-UHFFFAOYSA-N 1 1 417.307 2.517 20 0 HFADMO COc1ccc(OC)c([C@H](O)C[N@@H+](Cc2ccccc2)C[C@@]2(O)CCO[C@@H]2C)c1 ZINC000790457027 1078037271 /nfs/dbraw/zinc/03/72/71/1078037271.db2.gz DWSHZTFZVLBOHO-OAOOKAIFSA-N 1 1 401.503 2.779 20 0 HFADMO Cc1ccc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)nc1Br ZINC000792967624 1078037944 /nfs/dbraw/zinc/03/79/44/1078037944.db2.gz CQVZAYQDGHRPMS-MBNYWOFBSA-N 1 1 411.344 2.574 20 0 HFADMO O=C(OCc1ccccc1)N1CCC([NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000790471050 1078038733 /nfs/dbraw/zinc/03/87/33/1078038733.db2.gz GLGWZSRQKIRPDR-FGZHOGPDSA-N 1 1 401.551 2.755 20 0 HFADMO C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)Nc3ccccc3)CC2)C1 ZINC001170137239 1078041442 /nfs/dbraw/zinc/04/14/42/1078041442.db2.gz NIMQLMWMEVVTQC-RQGSJKACSA-N 1 1 419.591 2.930 20 0 HFADMO CN(CC(F)(F)Br)C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000806229395 1079510858 /nfs/dbraw/zinc/51/08/58/1079510858.db2.gz DRAWBAMKEPVRMS-ZDUSSCGKSA-N 1 1 419.270 2.588 20 0 HFADMO CN(CC(F)(F)Br)C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000806229395 1079510864 /nfs/dbraw/zinc/51/08/64/1079510864.db2.gz DRAWBAMKEPVRMS-ZDUSSCGKSA-N 1 1 419.270 2.588 20 0 HFADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000806254227 1079522133 /nfs/dbraw/zinc/52/21/33/1079522133.db2.gz RENBSQAUMFBGRT-NHCUHLMSSA-N 1 1 421.557 2.724 20 0 HFADMO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C3CCC3)C1)CCC2 ZINC000806298760 1079549551 /nfs/dbraw/zinc/54/95/51/1079549551.db2.gz OIJGHWCGGDQQID-QKLQHJQFSA-N 1 1 415.582 2.727 20 0 HFADMO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@H]2CCCc3cn(C(C)C)nc32)CC1 ZINC000806303646 1079556411 /nfs/dbraw/zinc/55/64/11/1079556411.db2.gz PXCRDEQCYYWHMJ-FQEVSTJZSA-N 1 1 417.598 2.928 20 0 HFADMO C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc[nH]1 ZINC000806310694 1079564773 /nfs/dbraw/zinc/56/47/73/1079564773.db2.gz BOBJVUALOQXSNV-CJNGLKHVSA-N 1 1 408.424 2.601 20 0 HFADMO C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc[nH]1 ZINC000806310694 1079564776 /nfs/dbraw/zinc/56/47/76/1079564776.db2.gz BOBJVUALOQXSNV-CJNGLKHVSA-N 1 1 408.424 2.601 20 0 HFADMO O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747325463 1079597412 /nfs/dbraw/zinc/59/74/12/1079597412.db2.gz KMMDDIYCEOKLBP-AEFFLSMTSA-N 1 1 421.950 2.897 20 0 HFADMO C[C@@]1(NC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001130609924 1079629358 /nfs/dbraw/zinc/62/93/58/1079629358.db2.gz NMMXSOBWVOTTMY-ZJSXRUAMSA-N 1 1 406.530 2.715 20 0 HFADMO CC(C)[N@H+](Cc1ccc(NC(=O)NCc2cnn(C)n2)cc1)C[C@H]1CCCCO1 ZINC000806389689 1079640960 /nfs/dbraw/zinc/64/09/60/1079640960.db2.gz XAVKYNJVFWTBEV-HXUWFJFHSA-N 1 1 400.527 2.916 20 0 HFADMO C[N@@H+]1CCN(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C[C@@H]1Cc1ccccc1 ZINC000806363359 1079651291 /nfs/dbraw/zinc/65/12/91/1079651291.db2.gz XAECOMXGPWNEHN-QHCPKHFHSA-N 1 1 420.557 2.991 20 0 HFADMO C[N@H+]1CCN(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C[C@@H]1Cc1ccccc1 ZINC000806363359 1079651296 /nfs/dbraw/zinc/65/12/96/1079651296.db2.gz XAECOMXGPWNEHN-QHCPKHFHSA-N 1 1 420.557 2.991 20 0 HFADMO CCC(CC)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC000806371389 1079659723 /nfs/dbraw/zinc/65/97/23/1079659723.db2.gz IRBOBNVJURVZGW-RTBURBONSA-N 1 1 411.587 2.887 20 0 HFADMO C[C@@H](CNC(=O)N1CCCC[C@@H]1COC(=O)N(C)C)[N@@H+]1CCc2sccc2C1 ZINC000806436071 1079682692 /nfs/dbraw/zinc/68/26/92/1079682692.db2.gz BILIBAHWGTTYCY-DOTOQJQBSA-N 1 1 408.568 2.757 20 0 HFADMO C[C@@H](CNC(=O)N1CCCC[C@@H]1COC(=O)N(C)C)[N@H+]1CCc2sccc2C1 ZINC000806436071 1079682696 /nfs/dbraw/zinc/68/26/96/1079682696.db2.gz BILIBAHWGTTYCY-DOTOQJQBSA-N 1 1 408.568 2.757 20 0 HFADMO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000806401102 1079688613 /nfs/dbraw/zinc/68/86/13/1079688613.db2.gz QROSBHORIGHJMV-FQEVSTJZSA-N 1 1 402.539 2.697 20 0 HFADMO Cn1[nH]cc2c(=NC(=O)N[C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)ccnc1-2 ZINC000806490760 1079741970 /nfs/dbraw/zinc/74/19/70/1079741970.db2.gz LXLIWIYYMDCNCH-DFQSSKMNSA-N 1 1 404.518 2.764 20 0 HFADMO CCC1(CC)NC(=O)N(CC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)C1=O ZINC001130668174 1079818859 /nfs/dbraw/zinc/81/88/59/1079818859.db2.gz DVEZVUIOAAYSDJ-OKZBNKHCSA-N 1 1 414.550 2.607 20 0 HFADMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC000806587797 1079862775 /nfs/dbraw/zinc/86/27/75/1079862775.db2.gz JJPJBFCQLYDLHT-HCXYKTFWSA-N 1 1 409.571 2.734 20 0 HFADMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC000806587797 1079862794 /nfs/dbraw/zinc/86/27/94/1079862794.db2.gz JJPJBFCQLYDLHT-HCXYKTFWSA-N 1 1 409.571 2.734 20 0 HFADMO COC[C@]1(CNC(=O)NC[C@H](C)Cn2cc[nH+]c2C)CCCN1C(=O)OC(C)(C)C ZINC000806651351 1079868606 /nfs/dbraw/zinc/86/86/06/1079868606.db2.gz MNUJJIQQISOPBP-HRAATJIYSA-N 1 1 423.558 2.543 20 0 HFADMO O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000747343735 1079909457 /nfs/dbraw/zinc/90/94/57/1079909457.db2.gz RVWIVOJZTNNQSW-IRXDYDNUSA-N 1 1 404.898 2.692 20 0 HFADMO COCC[N@@H+](C)CCNC(=O)NCc1cccc2c1CCCN2C(=O)OC(C)(C)C ZINC000806692496 1079916703 /nfs/dbraw/zinc/91/67/03/1079916703.db2.gz FNBDBAPHOVUGET-UHFFFAOYSA-N 1 1 420.554 2.752 20 0 HFADMO C[C@H](CCNC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)[N@@H+](C)Cc1ccccc1 ZINC000806731421 1079956709 /nfs/dbraw/zinc/95/67/09/1079956709.db2.gz FDOUJCCEKDZRNS-GOSISDBHSA-N 1 1 411.546 2.557 20 0 HFADMO C[C@@H](NC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000806733186 1079958940 /nfs/dbraw/zinc/95/89/40/1079958940.db2.gz YWMMHHOTPXXFHR-NQIIRXRSSA-N 1 1 423.557 2.557 20 0 HFADMO CC(C)C(=O)Nc1cc(C(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)ccn1 ZINC001130733710 1079973125 /nfs/dbraw/zinc/97/31/25/1079973125.db2.gz WZWXWPGNNNCMDM-RTWAWAEBSA-N 1 1 422.529 2.792 20 0 HFADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000806778808 1080004438 /nfs/dbraw/zinc/00/44/38/1080004438.db2.gz AAVXJJHXGZHGBI-WOJBJXKFSA-N 1 1 424.586 2.720 20 0 HFADMO COc1ccc2cc(NC(=O)C(=O)N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)ccc2c1 ZINC000806849879 1080035871 /nfs/dbraw/zinc/03/58/71/1080035871.db2.gz JDVULHRSLCLADV-NRFANRHFSA-N 1 1 411.502 2.500 20 0 HFADMO COc1ccc2cc(NC(=O)C(=O)NCC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)ccc2c1 ZINC000806832423 1080045737 /nfs/dbraw/zinc/04/57/37/1080045737.db2.gz OKLXXFVPYAYKSA-IYBDPMFKSA-N 1 1 413.518 2.791 20 0 HFADMO COc1ccc2cc(NC(=O)C(=O)NCC(C)(C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)ccc2c1 ZINC000806832423 1080045744 /nfs/dbraw/zinc/04/57/44/1080045744.db2.gz OKLXXFVPYAYKSA-IYBDPMFKSA-N 1 1 413.518 2.791 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2csc(-c3ccccc3)n2)cn1 ZINC000806856045 1080060874 /nfs/dbraw/zinc/06/08/74/1080060874.db2.gz DOSPCFTVDVLMHU-UHFFFAOYSA-N 1 1 418.482 2.954 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)[C@@H](C)C1 ZINC000806945005 1080155161 /nfs/dbraw/zinc/15/51/61/1080155161.db2.gz GRKPVRGBZRGFLQ-IRXDYDNUSA-N 1 1 420.554 2.673 20 0 HFADMO CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000806953103 1080163490 /nfs/dbraw/zinc/16/34/90/1080163490.db2.gz HGWTUJVVJJYSCR-HOJAQTOUSA-N 1 1 402.539 2.960 20 0 HFADMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc(C(N)=O)c(Cl)n3)cc2)C1 ZINC000806978749 1080188360 /nfs/dbraw/zinc/18/83/60/1080188360.db2.gz GKHMPUYEVFBJCR-CYBMUJFWSA-N 1 1 402.882 2.807 20 0 HFADMO C[N@@H+]1CCN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)C[C@@H]1Cc1ccccc1 ZINC000807047321 1080228457 /nfs/dbraw/zinc/22/84/57/1080228457.db2.gz WWUJQCIYMOGLRR-PMACEKPBSA-N 1 1 416.566 2.858 20 0 HFADMO C[N@H+]1CCN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)C[C@@H]1Cc1ccccc1 ZINC000807047321 1080228463 /nfs/dbraw/zinc/22/84/63/1080228463.db2.gz WWUJQCIYMOGLRR-PMACEKPBSA-N 1 1 416.566 2.858 20 0 HFADMO C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000807081337 1080230228 /nfs/dbraw/zinc/23/02/28/1080230228.db2.gz UQXOYWNTLMCZMU-IEBWSBKVSA-N 1 1 404.555 2.858 20 0 HFADMO C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000807081337 1080230242 /nfs/dbraw/zinc/23/02/42/1080230242.db2.gz UQXOYWNTLMCZMU-IEBWSBKVSA-N 1 1 404.555 2.858 20 0 HFADMO CSCC[C@H](C)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000807054190 1080238300 /nfs/dbraw/zinc/23/83/00/1080238300.db2.gz GCDRFDYZUFNWQG-SXLOBPIMSA-N 1 1 403.592 2.757 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000807092165 1080272449 /nfs/dbraw/zinc/27/24/49/1080272449.db2.gz SVKZDPGOXXLNPU-WOJBJXKFSA-N 1 1 401.551 2.507 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000807093972 1080272835 /nfs/dbraw/zinc/27/28/35/1080272835.db2.gz RIHNZONPIDSNIA-IYOUNJFTSA-N 1 1 405.461 2.776 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000807113971 1080290673 /nfs/dbraw/zinc/29/06/73/1080290673.db2.gz JIWQMWYKYJCLSA-APWZRJJASA-N 1 1 414.937 2.686 20 0 HFADMO C[N@@H+]1CCN(C(=O)NC2CCC(O)(c3cccnc3)CC2)C[C@H]1Cc1ccccc1 ZINC000807123991 1080296040 /nfs/dbraw/zinc/29/60/40/1080296040.db2.gz SHDIMMITWNRAFX-XERBYJISSA-N 1 1 408.546 2.780 20 0 HFADMO C[N@H+]1CCN(C(=O)NC2CCC(O)(c3cccnc3)CC2)C[C@H]1Cc1ccccc1 ZINC000807123991 1080296048 /nfs/dbraw/zinc/29/60/48/1080296048.db2.gz SHDIMMITWNRAFX-XERBYJISSA-N 1 1 408.546 2.780 20 0 HFADMO O=C(C[N@@H+]1CCC=C(c2ccccn2)C1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC001170518619 1080297983 /nfs/dbraw/zinc/29/79/83/1080297983.db2.gz GXSYTUVDRVFGJO-UHFFFAOYSA-N 1 1 410.562 2.812 20 0 HFADMO 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CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc4ccc(Cl)cc43)C2)C1 ZINC001164719383 720238089 /nfs/dbraw/zinc/23/80/89/720238089.db2.gz LTZNGGSXJVMOAM-OAQYLSRUSA-N 1 1 402.926 2.553 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4c(Cl)cccc4n3)C2)C1 ZINC001164719995 720245275 /nfs/dbraw/zinc/24/52/75/720245275.db2.gz QEDWCGLWSNTBFT-OAQYLSRUSA-N 1 1 402.926 2.553 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc4c(Cl)cccc4n3)C2)C1 ZINC001164719995 720245284 /nfs/dbraw/zinc/24/52/84/720245284.db2.gz QEDWCGLWSNTBFT-OAQYLSRUSA-N 1 1 402.926 2.553 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc4cc(C)ccc43)C2)C1 ZINC001164722384 720270922 /nfs/dbraw/zinc/27/09/22/720270922.db2.gz QMDUGUAYTRAOOV-QFIPXVFZSA-N 1 1 416.953 2.861 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc4cc(C)ccc43)C2)C1 ZINC001164722384 720270926 /nfs/dbraw/zinc/27/09/26/720270926.db2.gz QMDUGUAYTRAOOV-QFIPXVFZSA-N 1 1 416.953 2.861 20 0 HFADMO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)n1 ZINC001164721946 720303815 /nfs/dbraw/zinc/30/38/15/720303815.db2.gz JCVHRQMMQCYHKR-QVKFZJNVSA-N 1 1 423.989 2.617 20 0 HFADMO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)n1 ZINC001164721946 720303822 /nfs/dbraw/zinc/30/38/22/720303822.db2.gz JCVHRQMMQCYHKR-QVKFZJNVSA-N 1 1 423.989 2.617 20 0 HFADMO c1cc2nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc(N3CCOCC3)c2s1 ZINC001164729882 720348933 /nfs/dbraw/zinc/34/89/33/720348933.db2.gz YTUBGJSIXNZSMY-MOPGFXCFSA-N 1 1 422.558 2.776 20 0 HFADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c12 ZINC001164730251 720427663 /nfs/dbraw/zinc/42/76/63/720427663.db2.gz IXZSLOMQHJWTHF-CABCVRRESA-N 1 1 412.881 2.646 20 0 HFADMO COC(=O)c1cc(F)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164834886 720512356 /nfs/dbraw/zinc/51/23/56/720512356.db2.gz HVOPCNVGXGCRRM-VDZJLULYSA-N 1 1 401.486 2.582 20 0 HFADMO CCOC(=O)Cc1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164835711 720517670 /nfs/dbraw/zinc/51/76/70/720517670.db2.gz KGHUFSNPYNKZND-NJDAHSKKSA-N 1 1 411.550 2.762 20 0 HFADMO CCOC(=O)Cc1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164834711 720546998 /nfs/dbraw/zinc/54/69/98/720546998.db2.gz FXHCJKAZCIVHBH-PWRODBHTSA-N 1 1 411.550 2.762 20 0 HFADMO CCOC(=O)c1ncnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1C ZINC001164835824 720555612 /nfs/dbraw/zinc/55/56/12/720555612.db2.gz IALSGIUGFUQGKX-GBESFXJTSA-N 1 1 412.538 2.536 20 0 HFADMO CC(C)c1nc(N(C)C)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164836818 720562136 /nfs/dbraw/zinc/56/21/36/720562136.db2.gz LGBTWRIVXALKGH-GUDVDZBRSA-N 1 1 412.586 2.635 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)cc4c3CNC4=O)CC[C@@H]21 ZINC001164836320 720563953 /nfs/dbraw/zinc/56/39/53/720563953.db2.gz JODJGODOHPZZER-VKJFTORMSA-N 1 1 414.941 2.553 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN([C@H](F)Oc3cncc(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837720 720633059 /nfs/dbraw/zinc/63/30/59/720633059.db2.gz IPRUYNIWJNCFGT-OLMMMNRUSA-N 1 1 408.909 2.832 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN([C@H](F)Oc3ccc(Cl)nn3)CC[C@@H]21 ZINC001164841997 720649315 /nfs/dbraw/zinc/64/93/15/720649315.db2.gz ROJFMYCKGSGTRH-DRMAHVMPSA-N 1 1 408.909 2.832 20 0 HFADMO Cc1cc2c(nc(Cl)nc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)s1 ZINC001164740078 720665762 /nfs/dbraw/zinc/66/57/62/720665762.db2.gz PPCKHFBNVAJARI-CHWSQXEVSA-N 1 1 402.911 2.785 20 0 HFADMO COc1nc(Cl)nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164837593 720677048 /nfs/dbraw/zinc/67/70/48/720677048.db2.gz DGDLXQPZNJBLJA-INIZCTEOSA-N 1 1 403.914 2.794 20 0 HFADMO Fc1cc2nc(Cl)c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2cc1F ZINC001164737771 720679265 /nfs/dbraw/zinc/67/92/65/720679265.db2.gz GWOLGSYQEWKKBH-VXGBXAGGSA-N 1 1 418.835 2.693 20 0 HFADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(S(C)(=O)=O)cn1)CC2 ZINC001164836477 720707974 /nfs/dbraw/zinc/70/79/74/720707974.db2.gz BGSPYJKVTZXYDV-IBGZPJMESA-N 1 1 415.559 2.745 20 0 HFADMO CCOC(=O)c1cc2ccccc2nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737171 720728031 /nfs/dbraw/zinc/72/80/31/720728031.db2.gz AJBREFAWMFIZCD-QZTJIDSGSA-N 1 1 419.485 2.543 20 0 HFADMO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742171 720742980 /nfs/dbraw/zinc/74/29/80/720742980.db2.gz NPQXETIAGURUAG-ZIAGYGMSSA-N 1 1 420.851 2.893 20 0 HFADMO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742171 720742991 /nfs/dbraw/zinc/74/29/91/720742991.db2.gz NPQXETIAGURUAG-ZIAGYGMSSA-N 1 1 420.851 2.893 20 0 HFADMO CC(C)(C)OC(=O)Nc1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164746965 720751450 /nfs/dbraw/zinc/75/14/50/720751450.db2.gz ZKGSCFLIRWKEEU-IAGOWNOFSA-N 1 1 412.494 2.561 20 0 HFADMO Clc1cccc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)c1 ZINC001164738692 720765731 /nfs/dbraw/zinc/76/57/31/720765731.db2.gz GWDHRONNXBAGIL-QZTJIDSGSA-N 1 1 408.893 2.929 20 0 HFADMO Fc1ccc2c(Cl)nnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164748299 720790722 /nfs/dbraw/zinc/79/07/22/720790722.db2.gz QNPKPPMBMQQWAK-KBPBESRZSA-N 1 1 400.845 2.554 20 0 HFADMO Cc1cc(-c2ccccc2F)nnc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164752657 720801503 /nfs/dbraw/zinc/80/15/03/720801503.db2.gz ZNURLOZYLNDMLB-IAGOWNOFSA-N 1 1 406.465 2.723 20 0 HFADMO Cc1c(Cl)nc(C2CCC2)nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746066 720802379 /nfs/dbraw/zinc/80/23/79/720802379.db2.gz LROHXTKCNSELKE-HOTGVXAUSA-N 1 1 400.914 2.838 20 0 HFADMO Cc1nc2ccsc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164750057 720809313 /nfs/dbraw/zinc/80/93/13/720809313.db2.gz VBZCJCANBGSZOO-ZHALLVOQSA-N 1 1 409.563 2.971 20 0 HFADMO COc1ccc2cnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1 ZINC001164741777 720821530 /nfs/dbraw/zinc/82/15/30/720821530.db2.gz OFTWBRHPOOHGRZ-NNMXDRDESA-N 1 1 419.533 2.609 20 0 HFADMO COc1cc(Cl)ncc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738800 720822289 /nfs/dbraw/zinc/82/22/89/720822289.db2.gz GTXVKHIPTPGRDQ-IXDOHACOSA-N 1 1 402.930 2.715 20 0 HFADMO Clc1cnc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164743341 720825798 /nfs/dbraw/zinc/82/57/98/720825798.db2.gz SHESNRRYKJANID-SOUVJXGZSA-N 1 1 408.337 2.754 20 0 HFADMO COc1cc(Cl)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164739272 720826052 /nfs/dbraw/zinc/82/60/52/720826052.db2.gz HWXICWPFRZOENO-CGTJXYLNSA-N 1 1 402.930 2.715 20 0 HFADMO Clc1nc2cccnc2nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743251 720827793 /nfs/dbraw/zinc/82/77/93/720827793.db2.gz RPNHBAVCJIABCJ-XYJFISCASA-N 1 1 424.940 2.649 20 0 HFADMO F[C@H](Oc1ccc(Cl)nc1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746088 720828912 /nfs/dbraw/zinc/82/89/12/720828912.db2.gz XXMQBBJIINWNGH-YTXYEVPYSA-N 1 1 420.920 2.833 20 0 HFADMO Clc1cc(C2CC2)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164740741 720830996 /nfs/dbraw/zinc/83/09/96/720830996.db2.gz LCYMJTTVWCPFBO-ZHALLVOQSA-N 1 1 413.957 2.978 20 0 HFADMO COc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164747692 720838004 /nfs/dbraw/zinc/83/80/04/720838004.db2.gz RJDCLHIPYRLFBZ-FRQCXROJSA-N 1 1 402.930 2.715 20 0 HFADMO CSc1cnc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164740427 720843962 /nfs/dbraw/zinc/84/39/62/720843962.db2.gz BSKJUYXIIKQNOE-ARFHVFGLSA-N 1 1 419.986 2.823 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc4cc(F)c(F)cc4nc3Cl)CC[C@H]2C1 ZINC001164850956 720849477 /nfs/dbraw/zinc/84/94/77/720849477.db2.gz FWIJHAKSUFHGHY-YVEFUNNKSA-N 1 1 412.868 2.735 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(C4CC4)nnc3Cl)CC[C@@H]2C1 ZINC001164853371 720877866 /nfs/dbraw/zinc/87/78/66/720877866.db2.gz CCTHBWZFDQPFAS-RHSMWYFYSA-N 1 1 416.900 2.726 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(C)cc(OCc4ccccc4)n3)CC[C@@H]2C1 ZINC001164858575 720885424 /nfs/dbraw/zinc/88/54/24/720885424.db2.gz LFJCKYKCQWBVMH-NHCUHLMSSA-N 1 1 412.534 2.538 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nnc(-c4ccccc4F)cc3C)CC[C@@H]2C1 ZINC001164853866 720887446 /nfs/dbraw/zinc/88/74/46/720887446.db2.gz DHDMFMBQLGEUOM-DYESRHJHSA-N 1 1 400.498 2.765 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCC4)CC[C@@H]2C1 ZINC001164856917 720892961 /nfs/dbraw/zinc/89/29/61/720892961.db2.gz HYCCGMIYTUZOHP-RDTXWAMCSA-N 1 1 415.912 2.942 20 0 HFADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)ncc1N1CCOCC1)[C@H]2C ZINC001164857767 720963890 /nfs/dbraw/zinc/96/38/90/720963890.db2.gz HEIXFSMEFBVLOQ-HNNXBMFYSA-N 1 1 419.961 2.585 20 0 HFADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1c(Cl)nc(Cl)nc1C(N)=O)[C@@H]2C ZINC001164857205 720972632 /nfs/dbraw/zinc/97/26/32/720972632.db2.gz DBFOBLCHFDHGLK-SNVBAGLBSA-N 1 1 412.325 2.500 20 0 HFADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1CN(C)CC3)[C@@H]2C ZINC001164863883 721018651 /nfs/dbraw/zinc/01/86/51/721018651.db2.gz VKALNNVGNOEWHJ-CQSZACIVSA-N 1 1 403.962 2.736 20 0 HFADMO COC(=O)c1ccc2c(ccnc2N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164866373 721076866 /nfs/dbraw/zinc/07/68/66/721076866.db2.gz SVVKXAPECARKES-SFTDATJTSA-N 1 1 418.497 2.896 20 0 HFADMO CSc1nc2c(c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n1)CCCC2 ZINC001164865687 721081901 /nfs/dbraw/zinc/08/19/01/721081901.db2.gz OHJXBGZDEBHIJD-QZTJIDSGSA-N 1 1 411.575 2.952 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4CSCC5)C[C@H]3C2)cn1 ZINC001164763698 721086859 /nfs/dbraw/zinc/08/68/59/721086859.db2.gz GRIWMYBOSWYPJO-HUUCEWRRSA-N 1 1 404.971 2.611 20 0 HFADMO Clc1nc2ncsc2c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164863320 721091943 /nfs/dbraw/zinc/09/19/43/721091943.db2.gz BSJSVANCWANCPH-ZIAGYGMSSA-N 1 1 402.911 2.614 20 0 HFADMO CCOC(=O)c1c(C)cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1C ZINC001164865480 721103191 /nfs/dbraw/zinc/10/31/91/721103191.db2.gz LOXNGRDYKWSTSG-VQTJNVASSA-N 1 1 410.518 2.750 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc(-c5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164765654 721108466 /nfs/dbraw/zinc/10/84/66/721108466.db2.gz JYNIDVQMRGTITF-QZTJIDSGSA-N 1 1 409.925 2.884 20 0 HFADMO COc1ccc(C(F)(F)N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c(Cl)n1 ZINC001164772726 721125419 /nfs/dbraw/zinc/12/54/19/721125419.db2.gz VRUOFYDNASSNPM-CABCVRRESA-N 1 1 411.884 2.980 20 0 HFADMO COC(=O)c1ccc2cc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)ncc2c1 ZINC001164871106 721134704 /nfs/dbraw/zinc/13/47/04/721134704.db2.gz DRHYUMSDOHWOBO-FGZHOGPDSA-N 1 1 418.497 2.896 20 0 HFADMO Cc1nc2c(nc(Cl)nc2N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)s1 ZINC001164762675 721145931 /nfs/dbraw/zinc/14/59/31/721145931.db2.gz DDXRAIGMXNHKLW-ZIAGYGMSSA-N 1 1 403.943 2.740 20 0 HFADMO CCOC(=O)c1cnc(Cl)c(C)c1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164762076 721148751 /nfs/dbraw/zinc/14/87/51/721148751.db2.gz BUIVBDYFNYJIQY-IRXDYDNUSA-N 1 1 417.941 2.912 20 0 HFADMO Cc1nc(-c2ccncc2)cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164876524 721161098 /nfs/dbraw/zinc/16/10/98/721161098.db2.gz MZWOOWGUOXZKBK-SFTDATJTSA-N 1 1 402.502 2.722 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc5ccccc5nc4N4CCCC4)C[C@H]3C2)cn1 ZINC001164774388 721190718 /nfs/dbraw/zinc/19/07/18/721190718.db2.gz YTENAAAQOKBASX-WOJBJXKFSA-N 1 1 417.561 2.922 20 0 HFADMO CCCSc1ncnc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1OC ZINC001164760288 721242427 /nfs/dbraw/zinc/24/24/27/721242427.db2.gz DGBCEXYFPIUMFN-SJORKVTESA-N 1 1 402.568 2.679 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc(C(N)=S)c5ccsc54)C[C@@H]3C2)cn1 ZINC001164769739 721245448 /nfs/dbraw/zinc/24/54/48/721245448.db2.gz ZMABCSGZNPCXIK-CABCVRRESA-N 1 1 412.588 2.622 20 0 HFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc4c(Cl)cccc4n3)CC2)C1 ZINC001164869903 721273223 /nfs/dbraw/zinc/27/32/23/721273223.db2.gz TXYPOVQMLWNFPG-UHFFFAOYSA-N 1 1 416.953 2.895 20 0 HFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc4c3ncn4C)C2)C1 ZINC001164776708 721339727 /nfs/dbraw/zinc/33/97/27/721339727.db2.gz HXSVHKNIWCFPFL-QFIPXVFZSA-N 1 1 410.522 2.692 20 0 HFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4cnccc43)C2)C1 ZINC001164779728 721339839 /nfs/dbraw/zinc/33/98/39/721339839.db2.gz UZQXSSZNYHUPIW-QFIPXVFZSA-N 1 1 408.506 2.749 20 0 HFADMO O=C(NCC1CC1)[C@]12CCO[C@@H]1CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164887495 721343020 /nfs/dbraw/zinc/34/30/20/721343020.db2.gz UYSCGDVLENRGST-GCJKJVERSA-N 1 1 418.969 2.842 20 0 HFADMO COCc1cc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc(C)n1 ZINC001164780038 721346733 /nfs/dbraw/zinc/34/67/33/721346733.db2.gz YPDOUWSRRYXLLX-QFIPXVFZSA-N 1 1 415.538 2.655 20 0 HFADMO COCc1cc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc(C)n1 ZINC001164780038 721346737 /nfs/dbraw/zinc/34/67/37/721346737.db2.gz YPDOUWSRRYXLLX-QFIPXVFZSA-N 1 1 415.538 2.655 20 0 HFADMO CC(=O)Nc1cccc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164780119 721350371 /nfs/dbraw/zinc/35/03/71/721350371.db2.gz ZVITVAODMSZXAD-JOCHJYFZSA-N 1 1 413.522 2.764 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5[nH]cc(F)c54)C3)O2)CC1 ZINC001164885688 721381768 /nfs/dbraw/zinc/38/17/68/721381768.db2.gz CZCXHNIVHHZKEX-VBKZILBWSA-N 1 1 422.936 2.516 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)ncc4Cl)C3)O2)CC1 ZINC001164888506 721384792 /nfs/dbraw/zinc/38/47/92/721384792.db2.gz JPXUIZBMLTUWMW-KBXCAEBGSA-N 1 1 400.354 2.549 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)nc(C5CC5)n4)C3)O2)CC1 ZINC001164888604 721388643 /nfs/dbraw/zinc/38/86/43/721388643.db2.gz KIYCZTOLXZUJHF-UWJYYQICSA-N 1 1 405.974 2.773 20 0 HFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccccc5)nn4)C3)O2)CC1 ZINC001164889205 721391915 /nfs/dbraw/zinc/39/19/15/721391915.db2.gz KXLOLHOPNWCCHS-URXFXBBRSA-N 1 1 407.562 2.909 20 0 HFADMO CC(C)(C)OC(=O)Nc1cc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)ncn1 ZINC001164790733 721397317 /nfs/dbraw/zinc/39/73/17/721397317.db2.gz XQZGARRLHUWEBY-ZIAGYGMSSA-N 1 1 402.524 2.848 20 0 HFADMO Cc1c[nH]c2nc(Cl)nc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c12 ZINC001164892522 721400456 /nfs/dbraw/zinc/40/04/56/721400456.db2.gz YQAKAAYKEZJCJI-IERDGZPVSA-N 1 1 418.973 2.685 20 0 HFADMO CCOc1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164889911 721408947 /nfs/dbraw/zinc/40/89/47/721408947.db2.gz RVOVGLWRUZTXLG-LAUBAEHRSA-N 1 1 408.974 2.899 20 0 HFADMO CCOC(=O)c1cc2cccnc2nc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164783999 721409190 /nfs/dbraw/zinc/40/91/90/721409190.db2.gz JTHPLIVJMMPSSF-HZPDHXFCSA-N 1 1 409.515 2.831 20 0 HFADMO CCOc1ccc(Cl)nc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164891151 721418026 /nfs/dbraw/zinc/41/80/26/721418026.db2.gz VHVXBLXCTQWIBQ-LAUBAEHRSA-N 1 1 408.974 2.899 20 0 HFADMO CSc1cnc(Cl)c(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164893645 721430106 /nfs/dbraw/zinc/43/01/06/721430106.db2.gz JSERHHUKSGDGIE-KXBFYZLASA-N 1 1 412.003 2.617 20 0 HFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3ncccc31)CC2 ZINC001164785998 721453198 /nfs/dbraw/zinc/45/31/98/721453198.db2.gz LQFVIMGIFOFURD-LJQANCHMSA-N 1 1 411.550 2.759 20 0 HFADMO CON(C)C(=O)c1ccnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164795706 721502280 /nfs/dbraw/zinc/50/22/80/721502280.db2.gz JTSQVHAWRLSDHE-UHFFFAOYSA-N 1 1 409.534 2.991 20 0 HFADMO COC(=O)c1ccc2cnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc2c1 ZINC001164900737 721517259 /nfs/dbraw/zinc/51/72/59/721517259.db2.gz UNAWGNXOIBQQFE-ICSRJNTNSA-N 1 1 422.460 2.897 20 0 HFADMO Cc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1NCC1CC1 ZINC001164796516 721524352 /nfs/dbraw/zinc/52/43/52/721524352.db2.gz ZKFXXRUJZKWJAO-PCCBWWKXSA-N 1 1 408.550 2.870 20 0 HFADMO Cc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1NCC1CC1 ZINC001164796516 721524357 /nfs/dbraw/zinc/52/43/57/721524357.db2.gz ZKFXXRUJZKWJAO-PCCBWWKXSA-N 1 1 408.550 2.870 20 0 HFADMO Cc1cc(N2CCCC2)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164796190 721524485 /nfs/dbraw/zinc/52/44/85/721524485.db2.gz XQCVKAJWXNEDMU-ONTIZHBOSA-N 1 1 408.550 2.648 20 0 HFADMO Cc1cc(N2CCCC2)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164796190 721524488 /nfs/dbraw/zinc/52/44/88/721524488.db2.gz XQCVKAJWXNEDMU-ONTIZHBOSA-N 1 1 408.550 2.648 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cccnc32)[C@H]2CCCO[C@H]12 ZINC001164805972 721539467 /nfs/dbraw/zinc/53/94/67/721539467.db2.gz NCFSGXGIPWIPPU-SCTDSRPQSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cccnc32)[C@H]2CCCO[C@H]12 ZINC001164805972 721539468 /nfs/dbraw/zinc/53/94/68/721539468.db2.gz NCFSGXGIPWIPPU-SCTDSRPQSA-N 1 1 410.909 2.941 20 0 HFADMO CCOC(=O)c1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c(C)c1 ZINC001164802304 721542190 /nfs/dbraw/zinc/54/21/90/721542190.db2.gz FXPMOUGELAETRE-HKBOAZHASA-N 1 1 410.518 2.830 20 0 HFADMO Cc1nc2nc(Cl)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2[nH]1 ZINC001164800655 721543327 /nfs/dbraw/zinc/54/33/27/721543327.db2.gz CYFPESZBOQYJTC-VYDXJSESSA-N 1 1 413.913 2.578 20 0 HFADMO Cc1nc2nc(Cl)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2[nH]1 ZINC001164800655 721543330 /nfs/dbraw/zinc/54/33/30/721543330.db2.gz CYFPESZBOQYJTC-VYDXJSESSA-N 1 1 413.913 2.578 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3c2C(=O)OC3(C)C)[C@@H]2CCCO[C@@H]12 ZINC001164809044 721548274 /nfs/dbraw/zinc/54/82/74/721548274.db2.gz UIEUUGILYLNCPQ-QWFCFKBJSA-N 1 1 408.502 2.750 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3c2C(=O)OC3(C)C)[C@@H]2CCCO[C@@H]12 ZINC001164809044 721548277 /nfs/dbraw/zinc/54/82/77/721548277.db2.gz UIEUUGILYLNCPQ-QWFCFKBJSA-N 1 1 408.502 2.750 20 0 HFADMO CN1CCc2nc(Cl)nc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2C1 ZINC001164903553 721564237 /nfs/dbraw/zinc/56/42/37/721564237.db2.gz CHATWEZKYGTUPO-NVXWUHKLSA-N 1 1 417.916 2.599 20 0 HFADMO CN1CCc2nc(Cl)nc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2C1 ZINC001164903551 721564617 /nfs/dbraw/zinc/56/46/17/721564617.db2.gz CHATWEZKYGTUPO-DOTOQJQBSA-N 1 1 417.916 2.599 20 0 HFADMO CN(Cc1cccnc1)[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164805669 721576286 /nfs/dbraw/zinc/57/62/86/721576286.db2.gz OKCHQVHZGWMKAW-WMTXJRDZSA-N 1 1 407.562 2.941 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(-c3nccs3)n2)[C@H]2CCCO[C@H]12 ZINC001164799281 721590922 /nfs/dbraw/zinc/59/09/22/721590922.db2.gz AJMGWALNAJGEKA-SCTDSRPQSA-N 1 1 408.531 2.863 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(-c3nccs3)n2)[C@H]2CCCO[C@H]12 ZINC001164799281 721590925 /nfs/dbraw/zinc/59/09/25/721590925.db2.gz AJMGWALNAJGEKA-SCTDSRPQSA-N 1 1 408.531 2.863 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc[n+]([O-])c(Cl)c2)[C@@H]2CCCO[C@H]21 ZINC001164809494 721591082 /nfs/dbraw/zinc/59/10/82/721591082.db2.gz SOVYINZANJDOQO-ZHALLVOQSA-N 1 1 424.879 2.782 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc[n+]([O-])c(Cl)c2)[C@@H]2CCCO[C@H]21 ZINC001164809494 721591084 /nfs/dbraw/zinc/59/10/84/721591084.db2.gz SOVYINZANJDOQO-ZHALLVOQSA-N 1 1 424.879 2.782 20 0 HFADMO CCOC(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164906540 721692000 /nfs/dbraw/zinc/69/20/00/721692000.db2.gz NIQLMHXOSXRFHY-HXUWFJFHSA-N 1 1 417.460 2.786 20 0 HFADMO COc1cc(OC)nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164903625 721692718 /nfs/dbraw/zinc/69/27/18/721692718.db2.gz AWBNOGUJCUYHRG-IBGZPJMESA-N 1 1 405.449 2.627 20 0 HFADMO COC(=O)c1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1N ZINC001164907414 721696570 /nfs/dbraw/zinc/69/65/70/721696570.db2.gz SJZVRWBTVBXDEE-FQEVSTJZSA-N 1 1 417.460 2.583 20 0 HFADMO CCOC(=O)c1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cn1 ZINC001164903630 721701059 /nfs/dbraw/zinc/70/10/59/721701059.db2.gz AWEVZSXATDDCSV-FQEVSTJZSA-N 1 1 417.460 2.786 20 0 HFADMO CCOC(=O)c1cncc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906590 721701670 /nfs/dbraw/zinc/70/16/70/721701670.db2.gz NOHBUSQWMPWCBZ-FQEVSTJZSA-N 1 1 417.460 2.786 20 0 HFADMO CCNC(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164908581 721723738 /nfs/dbraw/zinc/72/37/38/721723738.db2.gz YFVSWCOZXDBOOS-OAQYLSRUSA-N 1 1 415.488 2.964 20 0 HFADMO CCn1cnc2c1ncnc2N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164913139 721725724 /nfs/dbraw/zinc/72/57/24/721725724.db2.gz UISPVSRJOIDFHX-HXUWFJFHSA-N 1 1 413.476 2.979 20 0 HFADMO CCOC(=O)c1cncc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164910737 721753352 /nfs/dbraw/zinc/75/33/52/721753352.db2.gz QZSLWCVKVRFOCQ-UHFFFAOYSA-N 1 1 407.474 2.836 20 0 HFADMO CCOC(=O)c1cncc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164910737 721753355 /nfs/dbraw/zinc/75/33/55/721753355.db2.gz QZSLWCVKVRFOCQ-UHFFFAOYSA-N 1 1 407.474 2.836 20 0 HFADMO Cc1cc2c(ncnc2N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)s1 ZINC001164910318 721767611 /nfs/dbraw/zinc/76/76/11/721767611.db2.gz BDPRRMQFIRYEEV-OAQYLSRUSA-N 1 1 411.531 2.503 20 0 HFADMO Cc1cc2c(ncnc2N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)s1 ZINC001164910318 721767621 /nfs/dbraw/zinc/76/76/21/721767621.db2.gz BDPRRMQFIRYEEV-OAQYLSRUSA-N 1 1 411.531 2.503 20 0 HFADMO C[NH+]1CCC(Oc2ccnc(N3CCC[C@@H]4CN(C(=O)c5ccco5)C[C@H]43)c2)CC1 ZINC001165015105 721773332 /nfs/dbraw/zinc/77/33/32/721773332.db2.gz IOTYVHBNBRCRSN-YLJYHZDGSA-N 1 1 410.518 2.889 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCC[C@@]2(CO[C@H](C(=O)N3CCOCC3)C2)C1 ZINC001165016495 721778519 /nfs/dbraw/zinc/77/85/19/721778519.db2.gz CYFUICSVEJFDGG-UWJYYQICSA-N 1 1 407.942 2.700 20 0 HFADMO CN(C)c1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc2nc[nH]c21 ZINC001165026804 721816265 /nfs/dbraw/zinc/81/62/65/721816265.db2.gz RGGPCTAJBWQXQK-CGTJXYLNSA-N 1 1 406.538 2.551 20 0 HFADMO CCOC(=O)Cc1ccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nn1 ZINC001165024110 721819153 /nfs/dbraw/zinc/81/91/53/721819153.db2.gz ISHAWFVKCQKQEA-DZFGPLHGSA-N 1 1 409.534 2.714 20 0 HFADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc2c(Cl)nc(Cl)nc21 ZINC001164925709 721855894 /nfs/dbraw/zinc/85/58/94/721855894.db2.gz FQKWBKYAHLJGHN-VHSXEESVSA-N 1 1 416.744 2.595 20 0 HFADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc2c(Cl)nc(Cl)nc21 ZINC001164925709 721855897 /nfs/dbraw/zinc/85/58/97/721855897.db2.gz FQKWBKYAHLJGHN-VHSXEESVSA-N 1 1 416.744 2.595 20 0 HFADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)ncc1OCc1ccccc1 ZINC001164926575 721864960 /nfs/dbraw/zinc/86/49/60/721864960.db2.gz RWRDYJVPGYIHFO-ZWKOTPCHSA-N 1 1 401.942 2.924 20 0 HFADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)ncc1OCc1ccccc1 ZINC001164926575 721864962 /nfs/dbraw/zinc/86/49/62/721864962.db2.gz RWRDYJVPGYIHFO-ZWKOTPCHSA-N 1 1 401.942 2.924 20 0 HFADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ccc2ccn(C(=O)c3ccccc3)c2n1 ZINC001164922372 721875630 /nfs/dbraw/zinc/87/56/30/721875630.db2.gz GCWDNQWOPSQNMB-RTWAWAEBSA-N 1 1 403.530 2.939 20 0 HFADMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc2ccn(C(=O)c3ccccc3)c2n1 ZINC001164922372 721875631 /nfs/dbraw/zinc/87/56/31/721875631.db2.gz GCWDNQWOPSQNMB-RTWAWAEBSA-N 1 1 403.530 2.939 20 0 HFADMO Clc1nc2c(c(N3CC[NH+](C[C@@H]4CCCO4)CC3)n1)CN(Cc1ccccc1)C2 ZINC001165040087 721904993 /nfs/dbraw/zinc/90/49/93/721904993.db2.gz XLWBJLIZBJLZJK-SFHVURJKSA-N 1 1 413.953 2.947 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001164940356 721919720 /nfs/dbraw/zinc/91/97/20/721919720.db2.gz ZMRXVCOMEDRFLY-UTKZUKDTSA-N 1 1 407.942 2.843 20 0 HFADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncnc5c4[C@H](C)C(=O)N5)CC3)C2)cc1 ZINC001164938979 721927372 /nfs/dbraw/zinc/92/73/72/721927372.db2.gz FTPBQJOMDSABNF-KRWDZBQOSA-N 1 1 407.518 2.712 20 0 HFADMO COc1cc2cc[nH+]c(N3C[C@@H]4[C@H](C3)OCCN4Cc3c(C)noc3C)c2cc1OC ZINC001164943055 721947511 /nfs/dbraw/zinc/94/75/11/721947511.db2.gz NFTUFZFSOJMWRW-KNQAVFIVSA-N 1 1 424.501 2.946 20 0 HFADMO Cc1cccc2ncnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c12 ZINC001164947104 721974258 /nfs/dbraw/zinc/97/42/58/721974258.db2.gz NWKAUBQRWLTXRN-UHFFFAOYSA-N 1 1 401.514 2.909 20 0 HFADMO Cc1cccc2ncnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c12 ZINC001164947104 721974259 /nfs/dbraw/zinc/97/42/59/721974259.db2.gz NWKAUBQRWLTXRN-UHFFFAOYSA-N 1 1 401.514 2.909 20 0 HFADMO c1cc(C[N@H+]2CCOCC3(CCN(c4ccc(N5CCCCC5)nn4)CC3)C2)ccn1 ZINC001164958810 722051696 /nfs/dbraw/zinc/05/16/96/722051696.db2.gz GSICEVZAPBQAOY-UHFFFAOYSA-N 1 1 422.577 2.981 20 0 HFADMO Fc1nc(F)c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c(Cl)n1 ZINC001164961563 722059167 /nfs/dbraw/zinc/05/91/67/722059167.db2.gz LZQYVNHEPVZQRA-UHFFFAOYSA-N 1 1 409.868 2.922 20 0 HFADMO O=C(c1cccnc1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2)N1CCc2ccccc21 ZINC001164967165 722075510 /nfs/dbraw/zinc/07/55/10/722075510.db2.gz MAVXMQWGJOWFGW-BGYRXZFFSA-N 1 1 404.514 2.584 20 0 HFADMO C[N@@H+](Cc1ccc(N2C[C@@H]3CN(S(C)(=O)=O)c4ccccc4[C@@H]3C2)nc1)C1CC1 ZINC001164976615 722090873 /nfs/dbraw/zinc/09/08/73/722090873.db2.gz SCQUPYYWUHDCEZ-YLJYHZDGSA-N 1 1 412.559 2.675 20 0 HFADMO Clc1ccc2c(ncnc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164980648 722104609 /nfs/dbraw/zinc/10/46/09/722104609.db2.gz JUEMXTKBHONUSF-AEFFLSMTSA-N 1 1 410.909 2.801 20 0 HFADMO Clc1nc2c(c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n1)SCC2 ZINC001164976622 722110598 /nfs/dbraw/zinc/11/05/98/722110598.db2.gz LYHOFNCVLJYYQA-WBVHZDCISA-N 1 1 417.966 2.901 20 0 HFADMO F[C@H](Oc1ccc(Cl)nc1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972480 722118198 /nfs/dbraw/zinc/11/81/98/722118198.db2.gz FRHWDUZJBQCDHZ-HQRMLTQVSA-N 1 1 406.889 2.985 20 0 HFADMO COc1ccc2c(c1)ncnc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975628 722118258 /nfs/dbraw/zinc/11/82/58/722118258.db2.gz KBOINCRWEJDADR-XMSQKQJNSA-N 1 1 405.502 2.761 20 0 HFADMO CCOc1c(Cl)ncnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981786 722123119 /nfs/dbraw/zinc/12/31/19/722123119.db2.gz VEHGVNZPKHSSCY-IRXDYDNUSA-N 1 1 403.914 2.651 20 0 HFADMO Fc1ncccc1-c1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984237 722131257 /nfs/dbraw/zinc/13/12/57/722131257.db2.gz WPWHUGYTEOYFPR-RXVVDRJESA-N 1 1 420.492 2.800 20 0 HFADMO CSc1ncc(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976139 722137299 /nfs/dbraw/zinc/13/72/99/722137299.db2.gz HKBFOFCPPNYMOK-JKSUJKDBSA-N 1 1 405.955 2.974 20 0 HFADMO Cc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(-c2ccccn2)n1 ZINC001164980252 722138624 /nfs/dbraw/zinc/13/86/24/722138624.db2.gz MEKIFAMVGVJNQE-IFMALSPDSA-N 1 1 416.529 2.969 20 0 HFADMO CC1CCN(c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)CC1 ZINC001164972802 722142636 /nfs/dbraw/zinc/14/26/36/722142636.db2.gz APSQIFURBVNKHI-FCHUYYIVSA-N 1 1 422.577 2.835 20 0 HFADMO CCNS(=O)(=O)c1ccc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1 ZINC001164994406 722207620 /nfs/dbraw/zinc/20/76/20/722207620.db2.gz GEMFNVMCUVUTQO-OAQYLSRUSA-N 1 1 418.538 2.764 20 0 HFADMO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000793009025 1078047503 /nfs/dbraw/zinc/04/75/03/1078047503.db2.gz NZPHZESQPZUAOP-IBGZPJMESA-N 1 1 416.566 2.570 20 0 HFADMO O=C(CCC(=O)c1cccs1)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000793034811 1078052546 /nfs/dbraw/zinc/05/25/46/1078052546.db2.gz SLJKHXWRQSOKDC-UHFFFAOYSA-N 1 1 400.500 2.599 20 0 HFADMO Cn1ccnc1[C@](O)(C[NH2+]Cc1cnn(Cc2ccccc2)c1Cl)C(F)(F)F ZINC000790534868 1078053077 /nfs/dbraw/zinc/05/30/77/1078053077.db2.gz WJJKKNQAYLLNSF-QGZVFWFLSA-N 1 1 413.831 2.858 20 0 HFADMO C[C@@]1(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793037471 1078053539 /nfs/dbraw/zinc/05/35/39/1078053539.db2.gz HAOLNPSPVMPFBQ-SIKLNZKXSA-N 1 1 400.523 2.571 20 0 HFADMO Cn1ccnc1CN1CCC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1=O ZINC000790573387 1078066664 /nfs/dbraw/zinc/06/66/64/1078066664.db2.gz LBBASLSQDVOJCX-SFHVURJKSA-N 1 1 412.925 2.599 20 0 HFADMO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000790576655 1078066996 /nfs/dbraw/zinc/06/69/96/1078066996.db2.gz NXFGCGPVVJKGGS-OAHLLOKOSA-N 1 1 417.369 2.703 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000790576655 1078067000 /nfs/dbraw/zinc/06/70/00/1078067000.db2.gz NXFGCGPVVJKGGS-OAHLLOKOSA-N 1 1 417.369 2.703 20 0 HFADMO C[C@@H]1C[C@@H](NC(=O)N(CCO)Cc2cccnc2Cl)C[N@H+]1Cc1ccccc1 ZINC000793093637 1078067585 /nfs/dbraw/zinc/06/75/85/1078067585.db2.gz SZBDGQYGJSDHPJ-VQIMIIECSA-N 1 1 402.926 2.902 20 0 HFADMO C[C@@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3nccn3CC(F)(F)F)cc2)C1=O ZINC000790607613 1078074094 /nfs/dbraw/zinc/07/40/94/1078074094.db2.gz FQCVXYRJTRMXEQ-IBGZPJMESA-N 1 1 421.423 2.960 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N(CCO)Cc1cccnc1Cl ZINC000793153504 1078091803 /nfs/dbraw/zinc/09/18/03/1078091803.db2.gz KDFWXEPFFODHNU-VQIMIIECSA-N 1 1 402.926 2.759 20 0 HFADMO Cn1c2nn(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c(=S)n2c2ccccc2c1=O ZINC000772828307 1078090307 /nfs/dbraw/zinc/09/03/07/1078090307.db2.gz MEYKZEVOMWFQPI-MAUKXSAKSA-N 1 1 424.574 2.623 20 0 HFADMO O=C1c2cc(Br)ccc2N(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000772827639 1078096902 /nfs/dbraw/zinc/09/69/02/1078096902.db2.gz JKTXPSLJQFLUDZ-DYVFJYSZSA-N 1 1 418.335 2.885 20 0 HFADMO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)c1nnnn1C1CC1 ZINC000790716478 1078105687 /nfs/dbraw/zinc/10/56/87/1078105687.db2.gz CSZVEIUGKWRLLS-CQSZACIVSA-N 1 1 403.918 2.640 20 0 HFADMO C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1nnnn1C1CC1 ZINC000790716478 1078105689 /nfs/dbraw/zinc/10/56/89/1078105689.db2.gz CSZVEIUGKWRLLS-CQSZACIVSA-N 1 1 403.918 2.640 20 0 HFADMO C[C@@H](NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1nnnn1C1CC1 ZINC000790721313 1078108447 /nfs/dbraw/zinc/10/84/47/1078108447.db2.gz IFYQMRGZKVRMDS-VGOFRKELSA-N 1 1 409.538 2.767 20 0 HFADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1nc(Br)ccc1Br ZINC000790768562 1078114642 /nfs/dbraw/zinc/11/46/42/1078114642.db2.gz VJVQFLURCSUTEN-LDYMZIIASA-N 1 1 403.118 2.819 20 0 HFADMO CC(=O)OC1CCN(c2cc(C(C)C)[nH+]c(N3CCC(OC(C)=O)CC3)n2)CC1 ZINC000790771922 1078129518 /nfs/dbraw/zinc/12/95/18/1078129518.db2.gz HMKDTWBOTIUNGN-UHFFFAOYSA-N 1 1 404.511 2.664 20 0 HFADMO O=C(Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790801002 1078139088 /nfs/dbraw/zinc/13/90/88/1078139088.db2.gz SIXMPUYMLVCROI-FPOVZHCZSA-N 1 1 416.485 2.857 20 0 HFADMO C[NH+]1CCN(C(=O)[C@@H]2CCc3ccccc3N2C(=O)c2nc(Cl)cs2)CC1 ZINC000790841983 1078144406 /nfs/dbraw/zinc/14/44/06/1078144406.db2.gz UJRFGCWLBWKHEG-HNNXBMFYSA-N 1 1 404.923 2.532 20 0 HFADMO COc1ccc([C@@H]2C[C@H]2NC(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)cc1 ZINC000793383931 1078161650 /nfs/dbraw/zinc/16/16/50/1078161650.db2.gz JGYDUKCOAPQMLR-FCHUYYIVSA-N 1 1 400.567 2.751 20 0 HFADMO CC(C)c1[nH+]ccn1CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000793495980 1078202223 /nfs/dbraw/zinc/20/22/23/1078202223.db2.gz CUZUCFCNYGQKPA-RTBURBONSA-N 1 1 421.501 2.715 20 0 HFADMO COCC1(C(=O)NCCCCn2cc[nH+]c2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793551584 1078208540 /nfs/dbraw/zinc/20/85/40/1078208540.db2.gz CKHXALBSWKVJRH-UHFFFAOYSA-N 1 1 408.543 2.752 20 0 HFADMO Cc1nn2c(CN3CC[N@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)c(C(C)C)nc2s1 ZINC000793603385 1078221264 /nfs/dbraw/zinc/22/12/64/1078221264.db2.gz HUWFQNNFVHEGBT-HNNXBMFYSA-N 1 1 422.599 2.863 20 0 HFADMO Cc1nn2c(CN3CC[N@@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)c(C(C)C)nc2s1 ZINC000793603385 1078221266 /nfs/dbraw/zinc/22/12/66/1078221266.db2.gz HUWFQNNFVHEGBT-HNNXBMFYSA-N 1 1 422.599 2.863 20 0 HFADMO COC(=O)c1cc(C[NH2+]Cc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)oc1C ZINC000793605773 1078223239 /nfs/dbraw/zinc/22/32/39/1078223239.db2.gz IDWZKMPJOOXKCO-QFIPXVFZSA-N 1 1 411.458 2.889 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000793684402 1078254085 /nfs/dbraw/zinc/25/40/85/1078254085.db2.gz AMYRHPRDNWUBNW-NNMXDRDESA-N 1 1 409.530 2.597 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000793684108 1078254487 /nfs/dbraw/zinc/25/44/87/1078254487.db2.gz SOQOSFGMGLDMKT-CTNGQTDRSA-N 1 1 409.530 2.599 20 0 HFADMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H](C)COc2ccccc2)CC1 ZINC000793684966 1078255476 /nfs/dbraw/zinc/25/54/76/1078255476.db2.gz FRHVTJUZRBBWHI-FQEVSTJZSA-N 1 1 409.530 2.613 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000793697864 1078272494 /nfs/dbraw/zinc/27/24/94/1078272494.db2.gz RZKUVOLWBJYARJ-SBHAEUEKSA-N 1 1 409.530 2.739 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000793700286 1078273610 /nfs/dbraw/zinc/27/36/10/1078273610.db2.gz ZBKRXAOGQUEALN-WOJBJXKFSA-N 1 1 409.530 2.693 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C[C@H](c4ccccn4)CC3=O)CC[C@H]21 ZINC000793706110 1078276732 /nfs/dbraw/zinc/27/67/32/1078276732.db2.gz MQYJCJXHDHYKHL-ZHALLVOQSA-N 1 1 400.523 2.686 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C[C@H](c4ccccn4)CC3=O)CC[C@H]21 ZINC000793706110 1078276735 /nfs/dbraw/zinc/27/67/35/1078276735.db2.gz MQYJCJXHDHYKHL-ZHALLVOQSA-N 1 1 400.523 2.686 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(Cc1ccco1)C1CCCC1 ZINC000793808639 1078302029 /nfs/dbraw/zinc/30/20/29/1078302029.db2.gz KZKBIRYFQBMVER-UHFFFAOYSA-N 1 1 407.474 2.756 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC=C(c2ccc(C)cc2)CC1 ZINC000793803496 1078303347 /nfs/dbraw/zinc/30/33/47/1078303347.db2.gz CLMMQDJLWGGHIN-UHFFFAOYSA-N 1 1 415.497 2.816 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@H](c2ccccc2C)C[C@H]1C ZINC000793804815 1078304597 /nfs/dbraw/zinc/30/45/97/1078304597.db2.gz FLOXLRJFNCSYKG-YLJYHZDGSA-N 1 1 417.513 2.905 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H](c1ccccc1C)C1CC1 ZINC000793805966 1078304920 /nfs/dbraw/zinc/30/49/20/1078304920.db2.gz RJZIIIURDREVIH-FQEVSTJZSA-N 1 1 403.486 2.768 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000793806053 1078304950 /nfs/dbraw/zinc/30/49/50/1078304950.db2.gz RTVFNNZHVPMSLD-LJQANCHMSA-N 1 1 407.449 2.695 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000793806078 1078304963 /nfs/dbraw/zinc/30/49/63/1078304963.db2.gz KCRPUKDZFPQYLX-HSZRJFAPSA-N 1 1 421.476 2.521 20 0 HFADMO COCc1nn(CN2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]2CC(C)C)c(=O)o1 ZINC000793805757 1078305197 /nfs/dbraw/zinc/30/51/97/1078305197.db2.gz OFKSTHLAPXBCQA-GOSISDBHSA-N 1 1 408.930 2.826 20 0 HFADMO COCc1nn(CN2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]2CC(C)C)c(=O)o1 ZINC000793805757 1078305201 /nfs/dbraw/zinc/30/52/01/1078305201.db2.gz OFKSTHLAPXBCQA-GOSISDBHSA-N 1 1 408.930 2.826 20 0 HFADMO CCCN(Cc1ccc(F)cc1)C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000793807505 1078305251 /nfs/dbraw/zinc/30/52/51/1078305251.db2.gz HZEPMAKUMGOLRL-UHFFFAOYSA-N 1 1 409.465 2.770 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000793808876 1078306926 /nfs/dbraw/zinc/30/69/26/1078306926.db2.gz NJWWYEJQHKTRAL-HXUWFJFHSA-N 1 1 403.486 2.850 20 0 HFADMO CCOC(=O)c1nn(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c2ccc(Br)cc21 ZINC000793770039 1078306944 /nfs/dbraw/zinc/30/69/44/1078306944.db2.gz VUZZJZALRSKPKK-LJQANCHMSA-N 1 1 421.339 2.961 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000793776569 1078308934 /nfs/dbraw/zinc/30/89/34/1078308934.db2.gz CIEIZGXTLLEXMF-ACRUOGEOSA-N 1 1 415.578 2.992 20 0 HFADMO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000793844476 1078312500 /nfs/dbraw/zinc/31/25/00/1078312500.db2.gz JZQZHMNHELPOQA-WMZOPIPTSA-N 1 1 414.575 2.561 20 0 HFADMO Cc1nc2c(s1)[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+]([C@H](C)c3ccccc3)C1)CCC2 ZINC000793931402 1078341214 /nfs/dbraw/zinc/34/12/14/1078341214.db2.gz OHDUPKZIWJLOKP-DKSSEZFCSA-N 1 1 412.559 2.897 20 0 HFADMO Cc1nc2c(s1)[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c3ccccc3)C1)CCC2 ZINC000793931404 1078341308 /nfs/dbraw/zinc/34/13/08/1078341308.db2.gz OHDUPKZIWJLOKP-POZUXBRTSA-N 1 1 412.559 2.897 20 0 HFADMO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000793913356 1078336291 /nfs/dbraw/zinc/33/62/91/1078336291.db2.gz QTJZPPCZCMVRCM-UYAOXDASSA-N 1 1 403.567 2.504 20 0 HFADMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H](C)c1nc2ccccc2s1 ZINC000793913277 1078336494 /nfs/dbraw/zinc/33/64/94/1078336494.db2.gz QQFAFNLOTXTJLR-QXSJWSMHSA-N 1 1 402.564 2.956 20 0 HFADMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000793915616 1078337028 /nfs/dbraw/zinc/33/70/28/1078337028.db2.gz ZQZSWBXDASEYQI-VQQMMKBISA-N 1 1 415.578 2.753 20 0 HFADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000793928361 1078340402 /nfs/dbraw/zinc/34/04/02/1078340402.db2.gz ATXUGAITZQUWGG-NQERJWCQSA-N 1 1 411.933 2.875 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(C)CCc2ccccc2F)cc1F ZINC000793899250 1078343658 /nfs/dbraw/zinc/34/36/58/1078343658.db2.gz FKVBCSHCAAXSCM-UHFFFAOYSA-N 1 1 412.440 2.776 20 0 HFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000793965402 1078348570 /nfs/dbraw/zinc/34/85/70/1078348570.db2.gz GPVCITYGRMQUAB-CJNGLKHVSA-N 1 1 416.526 2.598 20 0 HFADMO Cn1cc[nH+]c1N1CCC(NC(=O)[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000793946263 1078354869 /nfs/dbraw/zinc/35/48/69/1078354869.db2.gz HDOJHLHABFMODQ-OAQYLSRUSA-N 1 1 405.543 2.542 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC001170442405 1078367879 /nfs/dbraw/zinc/36/78/79/1078367879.db2.gz MFVUBTQVYYMUAH-MBSDFSHPSA-N 1 1 424.497 2.721 20 0 HFADMO O=C(NCC[N@@H+]1CC=CCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000794114535 1078373989 /nfs/dbraw/zinc/37/39/89/1078373989.db2.gz GJQIENYNTZALSS-UHFFFAOYSA-N 1 1 411.955 2.506 20 0 HFADMO O=C(NCC[N@@H+]1CC=CCC1)/C(=C\c1cccs1)n1nnnc1-c1ccccc1 ZINC000794116186 1078374196 /nfs/dbraw/zinc/37/41/96/1078374196.db2.gz RWJMXMSIFHDUIM-KNTRCKAVSA-N 1 1 406.515 2.778 20 0 HFADMO COc1ccc([C@@H]2C[C@H]2NC(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)cc1 ZINC000794152533 1078385216 /nfs/dbraw/zinc/38/52/16/1078385216.db2.gz SRXGDWSDAPTDFH-LEWJYISDSA-N 1 1 417.513 2.858 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCCC12CCN(CC(=O)N(C)C)CC2 ZINC001170444957 1078396803 /nfs/dbraw/zinc/39/68/03/1078396803.db2.gz VZFXTAGIYNMGLM-LJQANCHMSA-N 1 1 401.551 2.755 20 0 HFADMO C[C@@H](CNC(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)[N@@H+]1CCc2sccc2C1 ZINC000794217277 1078394993 /nfs/dbraw/zinc/39/49/93/1078394993.db2.gz GVFFAMPFNXFXAQ-KMANFZQXSA-N 1 1 405.564 2.724 20 0 HFADMO C[C@@H](CNC(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)[N@H+]1CCc2sccc2C1 ZINC000794217277 1078394997 /nfs/dbraw/zinc/39/49/97/1078394997.db2.gz GVFFAMPFNXFXAQ-KMANFZQXSA-N 1 1 405.564 2.724 20 0 HFADMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F ZINC000794272719 1078398042 /nfs/dbraw/zinc/39/80/42/1078398042.db2.gz XWZCLIHKPHQIIV-HNNXBMFYSA-N 1 1 401.548 2.705 20 0 HFADMO CCN1CCN(C(=O)CCCCCCCC(=O)N2CC[N@H+](CC)C[C@H]2C)[C@H](C)C1 ZINC000804380463 1078440566 /nfs/dbraw/zinc/44/05/66/1078440566.db2.gz VVAFATHTHAVCSN-NHCUHLMSSA-N 1 1 408.631 2.822 20 0 HFADMO CCN1CCN(C(=O)CCCCCCCC(=O)N2CC[N@@H+](CC)C[C@H]2C)[C@H](C)C1 ZINC000804380463 1078440568 /nfs/dbraw/zinc/44/05/68/1078440568.db2.gz VVAFATHTHAVCSN-NHCUHLMSSA-N 1 1 408.631 2.822 20 0 HFADMO CC[N@@H+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)[C@@H](C)C1 ZINC000804382174 1078440905 /nfs/dbraw/zinc/44/09/05/1078440905.db2.gz XGNXXNANBLDPCV-HNNXBMFYSA-N 1 1 413.971 2.681 20 0 HFADMO CC[N@H+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)[C@@H](C)C1 ZINC000804382174 1078440906 /nfs/dbraw/zinc/44/09/06/1078440906.db2.gz XGNXXNANBLDPCV-HNNXBMFYSA-N 1 1 413.971 2.681 20 0 HFADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)C1 ZINC001129800546 1078476924 /nfs/dbraw/zinc/47/69/24/1078476924.db2.gz PLDOIIWLFVOUMN-WFXMLNOXSA-N 1 1 405.539 2.657 20 0 HFADMO CCCCOc1cccc(CNC(=O)C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC001170451479 1078494239 /nfs/dbraw/zinc/49/42/39/1078494239.db2.gz KIRNKTZUHVIDCX-VQTJNVASSA-N 1 1 409.530 2.763 20 0 HFADMO CCCCOc1cccc(CNC(=O)C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC001170451479 1078494240 /nfs/dbraw/zinc/49/42/40/1078494240.db2.gz KIRNKTZUHVIDCX-VQTJNVASSA-N 1 1 409.530 2.763 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1c(CC)nn(C)c1Cl ZINC001129813155 1078510970 /nfs/dbraw/zinc/51/09/70/1078510970.db2.gz JUCKXJXMEARMLF-SJLPKXTDSA-N 1 1 404.942 2.903 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H](C)Cc1c(C)nn(C)c1C ZINC001129813149 1078511048 /nfs/dbraw/zinc/51/10/48/1078511048.db2.gz JRMHBROEIDEMNU-AMHTUMDSSA-N 1 1 412.578 2.869 20 0 HFADMO Cc1ccccc1[C@H](O)C1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804509696 1078544910 /nfs/dbraw/zinc/54/49/10/1078544910.db2.gz BZWJRWFQOPRJAV-ILBGXUMGSA-N 1 1 408.542 2.904 20 0 HFADMO COC(=O)c1cnc(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC000804498547 1078553946 /nfs/dbraw/zinc/55/39/46/1078553946.db2.gz QHORNPOHFQCRRU-LJQANCHMSA-N 1 1 409.408 2.936 20 0 HFADMO Cc1csc([C@@H](C)NC(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000804500804 1078555202 /nfs/dbraw/zinc/55/52/02/1078555202.db2.gz QGQXTGKSHCPMPX-IIBYNOLFSA-N 1 1 400.548 2.657 20 0 HFADMO O=C(NCCS(=O)(=O)C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001129868597 1078565312 /nfs/dbraw/zinc/56/53/12/1078565312.db2.gz XUIQMDBUUQYCFA-RTBURBONSA-N 1 1 418.584 2.657 20 0 HFADMO Cc1ccc2c(c1)CN(C(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)CCO2 ZINC000804529395 1078566849 /nfs/dbraw/zinc/56/68/49/1078566849.db2.gz AKIXGTKBKGXCKV-UHFFFAOYSA-N 1 1 403.523 2.705 20 0 HFADMO C[C@]1(C2CC2)NC(=O)N(c2ccc(CNc3nc(N4CCCC4)cc[nH+]3)cc2)C1=O ZINC000804703054 1078567964 /nfs/dbraw/zinc/56/79/64/1078567964.db2.gz QIWAQKJVCPZQDG-JOCHJYFZSA-N 1 1 406.490 2.914 20 0 HFADMO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(C)C[C@@H]3CCC[N@H+]3C)cc2)C1 ZINC001129906028 1078578089 /nfs/dbraw/zinc/57/80/89/1078578089.db2.gz VFBMMLPCCQCJTC-SCTDSRPQSA-N 1 1 407.580 2.519 20 0 HFADMO CS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000804535182 1078582774 /nfs/dbraw/zinc/58/27/74/1078582774.db2.gz ISJPXWMCRZQEJP-QFIPXVFZSA-N 1 1 416.518 2.967 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)C1=NOC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000804776225 1078601635 /nfs/dbraw/zinc/60/16/35/1078601635.db2.gz YNTJJJSDBZIVKY-INIZCTEOSA-N 1 1 408.543 2.523 20 0 HFADMO C[N@@H+](CCCCNC(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C1CC1 ZINC001129628737 1078601670 /nfs/dbraw/zinc/60/16/70/1078601670.db2.gz YFXRHJYBFRTUCD-AQTBWJFISA-N 1 1 419.591 2.690 20 0 HFADMO CN(C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000804564770 1078599646 /nfs/dbraw/zinc/59/96/46/1078599646.db2.gz MSXNSYFSUBXIMC-JWTNVVGKSA-N 1 1 420.517 2.537 20 0 HFADMO CCc1c(C(=O)N2CC[NH+](C(C)(C)COC)CC2)cnn1-c1ccc(OC)cc1 ZINC001129925456 1078616844 /nfs/dbraw/zinc/61/68/44/1078616844.db2.gz GHVITDVGTKAMOU-UHFFFAOYSA-N 1 1 400.523 2.626 20 0 HFADMO Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N(C)C(C)(C)C[NH+]3CCOCC3)C2)c1 ZINC001129658852 1078619923 /nfs/dbraw/zinc/61/99/23/1078619923.db2.gz PRCCAEOKAKZGOW-FQEVSTJZSA-N 1 1 415.578 2.725 20 0 HFADMO COCC(COC)[NH+]1CCN(C(=O)/C(C)=C/c2ccc(OC(F)(F)F)cc2)CC1 ZINC001129698522 1078657642 /nfs/dbraw/zinc/65/76/42/1078657642.db2.gz LSRPUDQGFNXFBH-NTCAYCPXSA-N 1 1 416.440 2.794 20 0 HFADMO CC[C@@H]1CN(c2ccc(C(C)=O)cc2S(N)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000804613598 1078661043 /nfs/dbraw/zinc/66/10/43/1078661043.db2.gz MTRUULMQPBDJAV-LJQANCHMSA-N 1 1 401.532 2.637 20 0 HFADMO CC[C@@H]1CN(c2ccc(C(C)=O)cc2S(N)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000804613598 1078661045 /nfs/dbraw/zinc/66/10/45/1078661045.db2.gz MTRUULMQPBDJAV-LJQANCHMSA-N 1 1 401.532 2.637 20 0 HFADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(-n2ccnn2)cc1 ZINC001129971116 1078664657 /nfs/dbraw/zinc/66/46/57/1078664657.db2.gz UQZBPBMGNVBRDY-IFMALSPDSA-N 1 1 405.502 2.534 20 0 HFADMO COCCOCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001129678331 1078666130 /nfs/dbraw/zinc/66/61/30/1078666130.db2.gz SPBMDEDGGPEIDO-FCHUYYIVSA-N 1 1 400.494 2.963 20 0 HFADMO Cc1onc(-c2ccc(F)cc2)c1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000804644107 1078698389 /nfs/dbraw/zinc/69/83/89/1078698389.db2.gz XHIGVFOUANPIPM-AYHJJNSGSA-N 1 1 414.481 2.603 20 0 HFADMO Cc1cccc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1S(C)(=O)=O ZINC001129759297 1078703459 /nfs/dbraw/zinc/70/34/59/1078703459.db2.gz IXKNUFAMJOUPEG-QZTJIDSGSA-N 1 1 418.563 2.585 20 0 HFADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2sc(-c3ccc(OC)cc3)nc2C)CC1 ZINC000804897276 1078754187 /nfs/dbraw/zinc/75/41/87/1078754187.db2.gz JTOVGFTXDCPKJV-HNNXBMFYSA-N 1 1 417.531 2.837 20 0 HFADMO CCc1ccc([C@@H](O)CNC(=O)NCc2ccccc2C[NH+]2CCN(CC)CC2)cc1 ZINC000804949012 1078777758 /nfs/dbraw/zinc/77/77/58/1078777758.db2.gz GJOTVFGTMYKSKK-DEOSSOPVSA-N 1 1 424.589 2.919 20 0 HFADMO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000804926678 1078782688 /nfs/dbraw/zinc/78/26/88/1078782688.db2.gz NKSMDZFWIYYMFT-PMACEKPBSA-N 1 1 402.539 2.809 20 0 HFADMO COCCCOc1ccc(CNC(=O)NCc2cccnc2-n2cc[nH+]c2C)cc1 ZINC000804973194 1078810438 /nfs/dbraw/zinc/81/04/38/1078810438.db2.gz JVFYHLSFWUFQIO-UHFFFAOYSA-N 1 1 409.490 2.990 20 0 HFADMO COC(=O)N1CCC(CNC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)CC1 ZINC000804984974 1078820943 /nfs/dbraw/zinc/82/09/43/1078820943.db2.gz KLPXMCRFJKSXFN-UHFFFAOYSA-N 1 1 403.458 2.597 20 0 HFADMO CC(C)N(C(=O)CCn1nnc2ccccc2c1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001130055258 1078841179 /nfs/dbraw/zinc/84/11/79/1078841179.db2.gz FDFRRQXZODXNMY-HXUWFJFHSA-N 1 1 419.529 2.693 20 0 HFADMO COC(=O)N1CCC(CNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000805029196 1078842575 /nfs/dbraw/zinc/84/25/75/1078842575.db2.gz MKVJSBSVWZKTRC-QGZVFWFLSA-N 1 1 408.568 2.738 20 0 HFADMO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@]1(COC)CCCN1C(=O)OC(C)(C)C ZINC000805100044 1078885911 /nfs/dbraw/zinc/88/59/11/1078885911.db2.gz RCFTZVRQLXOJMK-LAUBAEHRSA-N 1 1 412.575 2.576 20 0 HFADMO C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(C2(C)OCCO2)cc1)c1ccc(F)cc1 ZINC000805120894 1078903606 /nfs/dbraw/zinc/90/36/06/1078903606.db2.gz DYOXXPQCQKIGHQ-IBGZPJMESA-N 1 1 408.495 2.626 20 0 HFADMO CC(C)Oc1ccc([C@H](CNS(=O)(=O)c2cccc3nonc32)[NH+](C)C)cc1 ZINC000805134612 1078931530 /nfs/dbraw/zinc/93/15/30/1078931530.db2.gz DPAUMJMAVMZSJI-KRWDZBQOSA-N 1 1 404.492 2.591 20 0 HFADMO CC(C)Oc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)C(=O)OC3)[NH+](C)C)cc1 ZINC000805134797 1078931547 /nfs/dbraw/zinc/93/15/47/1078931547.db2.gz JOVVDQFFUFWVLR-FQEVSTJZSA-N 1 1 418.515 2.725 20 0 HFADMO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805137838 1078934300 /nfs/dbraw/zinc/93/43/00/1078934300.db2.gz JYFBDOSMBSWOSY-AVRDEDQJSA-N 1 1 424.586 2.530 20 0 HFADMO CCc1ccc([C@H](O)CNC(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000805148061 1078945072 /nfs/dbraw/zinc/94/50/72/1078945072.db2.gz RNFZTYQKSFLTTH-CDNPAEQRSA-N 1 1 411.546 2.871 20 0 HFADMO CCc1ccc([C@H](O)CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000805148061 1078945077 /nfs/dbraw/zinc/94/50/77/1078945077.db2.gz RNFZTYQKSFLTTH-CDNPAEQRSA-N 1 1 411.546 2.871 20 0 HFADMO COC[C@@H](C)n1c(SCC(=O)N(C)C[C@@H]2CCC[N@H+]2C)nnc1-c1ccccc1 ZINC001130097846 1078948017 /nfs/dbraw/zinc/94/80/17/1078948017.db2.gz GWUNIOXBKJSMFE-AEFFLSMTSA-N 1 1 417.579 2.797 20 0 HFADMO COc1ccc(-c2nc(C)c(C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)s2)cc1OC ZINC000747231813 1078951444 /nfs/dbraw/zinc/95/14/44/1078951444.db2.gz OUTBUWOEYYZAJI-CVEARBPZSA-N 1 1 417.531 2.729 20 0 HFADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805199270 1078952660 /nfs/dbraw/zinc/95/26/60/1078952660.db2.gz QEWXWWUQJYRPRX-NRJQMVOHSA-N 1 1 406.571 2.902 20 0 HFADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000805183646 1078965701 /nfs/dbraw/zinc/96/57/01/1078965701.db2.gz FQRNPULTMHPOTC-IPMKNSEASA-N 1 1 411.587 2.887 20 0 HFADMO C[N@H+]1CCC[C@H](NC(=O)NC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)C1 ZINC000805184225 1078966084 /nfs/dbraw/zinc/96/60/84/1078966084.db2.gz LDPSLZRXUFWETQ-HKUYNNGSSA-N 1 1 402.539 2.914 20 0 HFADMO C[N@@H+](CCNC(=O)NC[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C)C1CC1 ZINC000805185345 1078966532 /nfs/dbraw/zinc/96/65/32/1078966532.db2.gz ZLVHNKOLURMDEN-LJQANCHMSA-N 1 1 402.539 2.914 20 0 HFADMO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)no1 ZINC000805197542 1078970978 /nfs/dbraw/zinc/97/09/78/1078970978.db2.gz FWCLAWUPEQQOJK-NZQKXSOJSA-N 1 1 410.518 2.817 20 0 HFADMO Cc1cc([C@H]2CCCN2C(=O)C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)no1 ZINC000805197543 1078971047 /nfs/dbraw/zinc/97/10/47/1078971047.db2.gz FWCLAWUPEQQOJK-OFNKIYASSA-N 1 1 410.518 2.817 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000747238016 1078996288 /nfs/dbraw/zinc/99/62/88/1078996288.db2.gz BYFYVQMKRZZFDG-FMIVXFBMSA-N 1 1 414.527 2.600 20 0 HFADMO CCOc1cc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1OCc1cccnc1 ZINC000747236400 1078994149 /nfs/dbraw/zinc/99/41/49/1078994149.db2.gz MJDLIPPKUGEKLK-WOJBJXKFSA-N 1 1 411.502 2.652 20 0 HFADMO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000805285146 1079009424 /nfs/dbraw/zinc/00/94/24/1079009424.db2.gz BUEHBQQWQWIWSO-NRFANRHFSA-N 1 1 416.566 2.517 20 0 HFADMO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000805335894 1079024331 /nfs/dbraw/zinc/02/43/31/1079024331.db2.gz VVLGODKHGNJIRU-LPHOPBHVSA-N 1 1 402.516 2.952 20 0 HFADMO CCCS(=O)(=O)CC[N@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001170479310 1079029765 /nfs/dbraw/zinc/02/97/65/1079029765.db2.gz IKHAWEMXNDPEQU-OAHLLOKOSA-N 1 1 421.344 2.980 20 0 HFADMO CS(=O)(=O)c1ccc(OCCOC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000805451973 1079101453 /nfs/dbraw/zinc/10/14/53/1079101453.db2.gz JCTZQKVFJKUODU-IBGZPJMESA-N 1 1 417.527 2.924 20 0 HFADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCc2ccccc2N(C)CC)C1 ZINC000805636533 1079189701 /nfs/dbraw/zinc/18/97/01/1079189701.db2.gz UFYXVXNQQBMQRT-GOSISDBHSA-N 1 1 402.583 2.776 20 0 HFADMO CCC[N@@H+](C)[C@@H](CNC(=O)N1CCN2C(=O)OCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000805752178 1079231138 /nfs/dbraw/zinc/23/11/38/1079231138.db2.gz ADYCXPWYSZTFMO-MSOLQXFVSA-N 1 1 408.930 2.959 20 0 HFADMO CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1)c1ccc(Cl)cc1 ZINC000805753904 1079232030 /nfs/dbraw/zinc/23/20/30/1079232030.db2.gz UKDGLGOBOSSRDD-BPQIPLTHSA-N 1 1 408.930 2.863 20 0 HFADMO COC(=O)/C=C/c1ccc(S(=O)(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)cc1 ZINC000747268338 1079256612 /nfs/dbraw/zinc/25/66/12/1079256612.db2.gz IHGYHVXSEIPSJE-HGZMWJMZSA-N 1 1 400.500 2.554 20 0 HFADMO C[N@@H+](CC(=O)NC1CCC2(CC1)OCCO2)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000805790511 1079257055 /nfs/dbraw/zinc/25/70/55/1079257055.db2.gz ATVVYRHTJDONQO-UXHICEINSA-N 1 1 402.535 2.966 20 0 HFADMO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805795033 1079260291 /nfs/dbraw/zinc/26/02/91/1079260291.db2.gz DXPHLGAVOWANNU-HRAATJIYSA-N 1 1 410.559 2.580 20 0 HFADMO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000805762956 1079265050 /nfs/dbraw/zinc/26/50/50/1079265050.db2.gz UYNBGJRUXHBDNE-GOSISDBHSA-N 1 1 421.538 2.605 20 0 HFADMO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000805762956 1079265053 /nfs/dbraw/zinc/26/50/53/1079265053.db2.gz UYNBGJRUXHBDNE-GOSISDBHSA-N 1 1 421.538 2.605 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1CC(=O)NC(=O)NCc1cccs1 ZINC000805764539 1079265161 /nfs/dbraw/zinc/26/51/61/1079265161.db2.gz CGHSEIRSOXTFRY-OAHLLOKOSA-N 1 1 424.567 2.843 20 0 HFADMO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000805762590 1079263757 /nfs/dbraw/zinc/26/37/57/1079263757.db2.gz QSYUSSOFMDSTIM-QGZVFWFLSA-N 1 1 412.552 2.802 20 0 HFADMO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000805762590 1079263761 /nfs/dbraw/zinc/26/37/61/1079263761.db2.gz QSYUSSOFMDSTIM-QGZVFWFLSA-N 1 1 412.552 2.802 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000805765703 1079265968 /nfs/dbraw/zinc/26/59/68/1079265968.db2.gz OOSXILUPXSOYQQ-RTBURBONSA-N 1 1 417.550 2.876 20 0 HFADMO O=C(NC1CCCCC1)OC[C@@H]1CCCC[N@@H+]1[C@H]1CCN(C2CCOCC2)C1=O ZINC000805826667 1079295656 /nfs/dbraw/zinc/29/56/56/1079295656.db2.gz GOUQPYIJFPRLOW-PMACEKPBSA-N 1 1 407.555 2.680 20 0 HFADMO O=C(NC1CCCCC1)OC[C@@H]1CCCC[N@H+]1[C@H]1CCN(C2CCOCC2)C1=O ZINC000805826667 1079295659 /nfs/dbraw/zinc/29/56/59/1079295659.db2.gz GOUQPYIJFPRLOW-PMACEKPBSA-N 1 1 407.555 2.680 20 0 HFADMO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000805828073 1079298385 /nfs/dbraw/zinc/29/83/85/1079298385.db2.gz BYLXYEGBHAOAHW-HNNXBMFYSA-N 1 1 412.328 2.618 20 0 HFADMO CNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000805828073 1079298388 /nfs/dbraw/zinc/29/83/88/1079298388.db2.gz BYLXYEGBHAOAHW-HNNXBMFYSA-N 1 1 412.328 2.618 20 0 HFADMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)OCCNC(=O)c1ccncc1 ZINC000805862454 1079309209 /nfs/dbraw/zinc/30/92/09/1079309209.db2.gz XGYYXNLYRROERS-SFHVURJKSA-N 1 1 411.502 2.922 20 0 HFADMO COC(=O)[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[C@@H](OC)C1 ZINC001130411674 1079313115 /nfs/dbraw/zinc/31/31/15/1079313115.db2.gz YZXPPJXZZCVTTR-XRXFAXGQSA-N 1 1 402.535 2.762 20 0 HFADMO CCC[N@@H+](CC)Cc1ccc(C(=O)Oc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)cc1 ZINC000805876463 1079317246 /nfs/dbraw/zinc/31/72/46/1079317246.db2.gz PVJRAHHUIHIWJG-FQEVSTJZSA-N 1 1 409.486 2.888 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)ccc1F ZINC000747271811 1079315911 /nfs/dbraw/zinc/31/59/11/1079315911.db2.gz VBSPDPKHTXTUPC-INIZCTEOSA-N 1 1 406.479 2.555 20 0 HFADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)OCCCc3nc4ncccn4n3)cc2)C[C@@H](C)O1 ZINC000805897327 1079325504 /nfs/dbraw/zinc/32/55/04/1079325504.db2.gz PSTZLPWYJMZLJT-IAGOWNOFSA-N 1 1 409.490 2.523 20 0 HFADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)OC3CCN(c4ccncn4)CC3)cc2)C[C@@H](C)O1 ZINC000805899780 1079326144 /nfs/dbraw/zinc/32/61/44/1079326144.db2.gz AHFLRLDRHBRQEI-QZTJIDSGSA-N 1 1 410.518 2.912 20 0 HFADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NS(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000747275638 1079329956 /nfs/dbraw/zinc/32/99/56/1079329956.db2.gz BEMILBQHHDNEQT-FYXHJSOBSA-N 1 1 403.523 2.927 20 0 HFADMO CC[C@@H](C(=O)OC[C@H]1C[N@@H+](CC(C)C)CCO1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000805915607 1079330870 /nfs/dbraw/zinc/33/08/70/1079330870.db2.gz IQMQRPGUSKLSIJ-MSOLQXFVSA-N 1 1 421.929 2.845 20 0 HFADMO COCC[N@H+]1CCN(C(=O)Cc2csc(NC(=O)c3ccccc3)n2)C(C)(C)C1 ZINC001130416932 1079334964 /nfs/dbraw/zinc/33/49/64/1079334964.db2.gz GOIIVNKTPBVIOH-UHFFFAOYSA-N 1 1 416.547 2.507 20 0 HFADMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)OCCNC(=O)c1cccnc1 ZINC000805884662 1079337738 /nfs/dbraw/zinc/33/77/38/1079337738.db2.gz KTTCJDMJQOYRMA-GOSISDBHSA-N 1 1 411.502 2.922 20 0 HFADMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)OCCNC(=O)c1cccnc1 ZINC000805884663 1079337855 /nfs/dbraw/zinc/33/78/55/1079337855.db2.gz KTTCJDMJQOYRMA-SFHVURJKSA-N 1 1 411.502 2.922 20 0 HFADMO COCC[N@@H+]1CCN(C(=O)c2nn(-c3ccc(C)cc3F)c3c2CCC3)C(C)(C)C1 ZINC001130420501 1079340076 /nfs/dbraw/zinc/34/00/76/1079340076.db2.gz DDDLLCPZXUZEQU-UHFFFAOYSA-N 1 1 414.525 2.991 20 0 HFADMO COCC[N@H+]1CCN(C(=O)c2nn(-c3ccc(C)cc3F)c3c2CCC3)C(C)(C)C1 ZINC001130420501 1079340084 /nfs/dbraw/zinc/34/00/84/1079340084.db2.gz DDDLLCPZXUZEQU-UHFFFAOYSA-N 1 1 414.525 2.991 20 0 HFADMO COC(=O)[C@@]1(NC(=O)c2ccn3c2nc(C)cc3C)CCC[N@@H+](Cc2ccccc2)C1 ZINC001130444970 1079345612 /nfs/dbraw/zinc/34/56/12/1079345612.db2.gz VPYJYXPTIUCFMZ-XMMPIXPASA-N 1 1 420.513 2.889 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000747280224 1079352343 /nfs/dbraw/zinc/35/23/43/1079352343.db2.gz RBHMSZWFDVMNJX-QGZVFWFLSA-N 1 1 420.506 2.897 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000747280224 1079352349 /nfs/dbraw/zinc/35/23/49/1079352349.db2.gz RBHMSZWFDVMNJX-QGZVFWFLSA-N 1 1 420.506 2.897 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)ccc1F ZINC000747281654 1079352738 /nfs/dbraw/zinc/35/27/38/1079352738.db2.gz HPFGCJMAVHJFRX-OAHLLOKOSA-N 1 1 408.495 2.801 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)ccc1F ZINC000747282604 1079355180 /nfs/dbraw/zinc/35/51/80/1079355180.db2.gz WRYDKBWIPCSSHC-INIZCTEOSA-N 1 1 420.506 2.897 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)ccc1F ZINC000747282604 1079355185 /nfs/dbraw/zinc/35/51/85/1079355185.db2.gz WRYDKBWIPCSSHC-INIZCTEOSA-N 1 1 420.506 2.897 20 0 HFADMO CCC[N@@H+](CC)CCNS(=O)(=O)c1cc(C(=O)OCC)ccc1Br ZINC000747284233 1079384679 /nfs/dbraw/zinc/38/46/79/1079384679.db2.gz AVPFHPLHHWWRDV-UHFFFAOYSA-N 1 1 421.357 2.636 20 0 HFADMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@]1(c2ccccc2)CNC(=O)C1 ZINC001130458885 1079382568 /nfs/dbraw/zinc/38/25/68/1079382568.db2.gz WTKQYZBBRJZIND-KSYXXAMZSA-N 1 1 405.542 2.954 20 0 HFADMO C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000747307361 1079453563 /nfs/dbraw/zinc/45/35/63/1079453563.db2.gz GPAXABXEKQFBIQ-VQTJNVASSA-N 1 1 424.545 2.628 20 0 HFADMO CO[C@@H]1C[C@@H](C(=O)NCCC[N@@H+](C)CC(C)C)N(C(=O)OCc2ccccc2)C1 ZINC001130524148 1079459628 /nfs/dbraw/zinc/45/96/28/1079459628.db2.gz XAGIIFGUCZWAPX-UXHICEINSA-N 1 1 405.539 2.507 20 0 HFADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2ccccc2OCc2csc(C)n2)CC1 ZINC000806199010 1079485739 /nfs/dbraw/zinc/48/57/39/1079485739.db2.gz UELFZKNHTZPSQN-HNNXBMFYSA-N 1 1 417.531 2.740 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000787299129 1076747473 /nfs/dbraw/zinc/74/74/73/1076747473.db2.gz FTRDFKXYWYRYIA-BRLLKYFNSA-N 1 1 407.518 2.953 20 0 HFADMO CC(C)[N@H+]1CCCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 ZINC000787308655 1076755548 /nfs/dbraw/zinc/75/55/48/1076755548.db2.gz FPNVPVCUIDUCGJ-MRXNPFEDSA-N 1 1 405.543 2.690 20 0 HFADMO CC(C)[N@@H+]1CCCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC1 ZINC000787308655 1076755557 /nfs/dbraw/zinc/75/55/57/1076755557.db2.gz FPNVPVCUIDUCGJ-MRXNPFEDSA-N 1 1 405.543 2.690 20 0 HFADMO CC(C)[N@H+]1CCCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC1 ZINC000787308655 1076755566 /nfs/dbraw/zinc/75/55/66/1076755566.db2.gz FPNVPVCUIDUCGJ-MRXNPFEDSA-N 1 1 405.543 2.690 20 0 HFADMO C[N@@H+](CCOc1cccc(CNC(=O)Cc2ccccc2CO)c1)C1CCOCC1 ZINC000787310417 1076757558 /nfs/dbraw/zinc/75/75/58/1076757558.db2.gz MJVKYEOQTWRRGP-UHFFFAOYSA-N 1 1 412.530 2.527 20 0 HFADMO C[N@H+](CC[C@H]1CCCO1)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000787311841 1076757721 /nfs/dbraw/zinc/75/77/21/1076757721.db2.gz OMZCBWUAZAGVHI-OAHLLOKOSA-N 1 1 420.369 2.873 20 0 HFADMO C[N@@H+](CC[C@H]1CCCO1)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000787311841 1076757724 /nfs/dbraw/zinc/75/77/24/1076757724.db2.gz OMZCBWUAZAGVHI-OAHLLOKOSA-N 1 1 420.369 2.873 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)[nH]n2)C1 ZINC000787379924 1076779741 /nfs/dbraw/zinc/77/97/41/1076779741.db2.gz AKNXLUMPKAWXFB-IAGOWNOFSA-N 1 1 417.554 2.692 20 0 HFADMO CC(C)c1[nH+]ccn1CCNC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787350385 1076791384 /nfs/dbraw/zinc/79/13/84/1076791384.db2.gz QMMBBYMDFPITQV-HNNXBMFYSA-N 1 1 416.526 2.884 20 0 HFADMO C[NH+](C)CCC1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC1 ZINC000787352438 1076793025 /nfs/dbraw/zinc/79/30/25/1076793025.db2.gz SWXFVZSWUJDPSR-QGZVFWFLSA-N 1 1 419.570 2.938 20 0 HFADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2c(Br)nc3n2CCOC3)CC1 ZINC001170072843 1076808666 /nfs/dbraw/zinc/80/86/66/1076808666.db2.gz PSRLSSMJPGNUBH-CQSZACIVSA-N 1 1 419.323 2.695 20 0 HFADMO CC[C@@H](CNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)[N@@H+]1CCc2ccccc2C1 ZINC000746681913 1076815471 /nfs/dbraw/zinc/81/54/71/1076815471.db2.gz NUULFGXEIQILHI-SFHVURJKSA-N 1 1 422.554 2.638 20 0 HFADMO CC[C@@H](CNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)[N@H+]1CCc2ccccc2C1 ZINC000746681913 1076815477 /nfs/dbraw/zinc/81/54/77/1076815477.db2.gz NUULFGXEIQILHI-SFHVURJKSA-N 1 1 422.554 2.638 20 0 HFADMO C[N@H+]1CCCC12CCN(C(=O)c1cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n1)CC2 ZINC000787494571 1076825845 /nfs/dbraw/zinc/82/58/45/1076825845.db2.gz QNJQRBPCGRPEGH-INIZCTEOSA-N 1 1 417.554 2.835 20 0 HFADMO C[N@@H+]1CCCC12CCN(C(=O)c1cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]1)CC2 ZINC000787494571 1076825851 /nfs/dbraw/zinc/82/58/51/1076825851.db2.gz QNJQRBPCGRPEGH-INIZCTEOSA-N 1 1 417.554 2.835 20 0 HFADMO C[N@H+]1CCCC12CCN(C(=O)c1cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]1)CC2 ZINC000787494571 1076825857 /nfs/dbraw/zinc/82/58/57/1076825857.db2.gz QNJQRBPCGRPEGH-INIZCTEOSA-N 1 1 417.554 2.835 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)cn1 ZINC000787478547 1076838314 /nfs/dbraw/zinc/83/83/14/1076838314.db2.gz QYZXNLVFXUHTNR-BEFAXECRSA-N 1 1 421.476 2.736 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCCCC[C@@H]2c2ccco2)cn1 ZINC000787483020 1076840652 /nfs/dbraw/zinc/84/06/52/1076840652.db2.gz DIZLEECLBGVJOJ-GOSISDBHSA-N 1 1 407.474 2.929 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)cn1 ZINC000787482688 1076840878 /nfs/dbraw/zinc/84/08/78/1076840878.db2.gz WHYSHRDJLHOYKS-OXQOHEQNSA-N 1 1 403.486 2.597 20 0 HFADMO CC[C@H]1Cc2ccccc2CN1C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000787483546 1076842344 /nfs/dbraw/zinc/84/23/44/1076842344.db2.gz FZRWQWXHJYSFER-FQEVSTJZSA-N 1 1 403.486 2.555 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000746691629 1076853059 /nfs/dbraw/zinc/85/30/59/1076853059.db2.gz FWVMKYPAODSEHB-QGZVFWFLSA-N 1 1 422.554 2.808 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000746691629 1076853066 /nfs/dbraw/zinc/85/30/66/1076853066.db2.gz FWVMKYPAODSEHB-QGZVFWFLSA-N 1 1 422.554 2.808 20 0 HFADMO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000746689642 1076859481 /nfs/dbraw/zinc/85/94/81/1076859481.db2.gz OQVRUPFUPMJQIY-DLBZAZTESA-N 1 1 414.575 2.798 20 0 HFADMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000746689642 1076859487 /nfs/dbraw/zinc/85/94/87/1076859487.db2.gz OQVRUPFUPMJQIY-DLBZAZTESA-N 1 1 414.575 2.798 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)c2ccccc2I)CC1 ZINC000787579168 1076870679 /nfs/dbraw/zinc/87/06/79/1076870679.db2.gz QTFMLSIRDGFGKI-UHFFFAOYSA-N 1 1 416.303 2.864 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)NC[C@@H]3CCCC[N@H+]3C3CC3)[nH]n2)C1 ZINC000787582083 1076871921 /nfs/dbraw/zinc/87/19/21/1076871921.db2.gz ROEMKBGTMCETRS-WBVHZDCISA-N 1 1 417.554 2.881 20 0 HFADMO COC(=O)c1cccc(C[N@@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)c1Cl ZINC001170075541 1076876684 /nfs/dbraw/zinc/87/66/84/1076876684.db2.gz SCHBMWPJUARCCI-CVEARBPZSA-N 1 1 410.898 2.996 20 0 HFADMO COC(=O)c1cccc(C[N@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)c1Cl ZINC001170075541 1076876688 /nfs/dbraw/zinc/87/66/88/1076876688.db2.gz SCHBMWPJUARCCI-CVEARBPZSA-N 1 1 410.898 2.996 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)CCCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000787598307 1076886833 /nfs/dbraw/zinc/88/68/33/1076886833.db2.gz MEQRZZOJFYQXIG-UHFFFAOYSA-N 1 1 400.523 2.617 20 0 HFADMO C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1)c1ccsc1 ZINC000787636911 1076891272 /nfs/dbraw/zinc/89/12/72/1076891272.db2.gz JFPHGZBGPKJPFE-PMACEKPBSA-N 1 1 415.559 2.751 20 0 HFADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1coc(CNC(=O)OC(C)(C)C)c1 ZINC000787667228 1076904379 /nfs/dbraw/zinc/90/43/79/1076904379.db2.gz BEGHTAYPXJPPNV-HNNXBMFYSA-N 1 1 407.511 2.630 20 0 HFADMO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000787668853 1076905125 /nfs/dbraw/zinc/90/51/25/1076905125.db2.gz HPOAZHXSCLPLJI-WBVHZDCISA-N 1 1 411.468 2.869 20 0 HFADMO CCOc1ccccc1N1CC[NH+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000787687193 1076911453 /nfs/dbraw/zinc/91/14/53/1076911453.db2.gz KCLOFWYVSYSIHM-NFBKMPQASA-N 1 1 419.566 2.968 20 0 HFADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000787687095 1076911541 /nfs/dbraw/zinc/91/15/41/1076911541.db2.gz VFUBGUGWCATGJZ-VGSWGCGISA-N 1 1 409.571 2.735 20 0 HFADMO Cc1ccc(N2CCCN(C(=O)C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000787703314 1076918521 /nfs/dbraw/zinc/91/85/21/1076918521.db2.gz AYAAZIQHMHBAJT-OYRHEFFESA-N 1 1 414.594 2.518 20 0 HFADMO CC(C)COC(=O)N1CCC[N@H+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000787706674 1076920453 /nfs/dbraw/zinc/92/04/53/1076920453.db2.gz CATMPABONVDTQG-LAUBAEHRSA-N 1 1 413.559 2.547 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@@H]([NH+]2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000787711924 1076922830 /nfs/dbraw/zinc/92/28/30/1076922830.db2.gz PZTYOPHODRDLNH-OXJNMPFZSA-N 1 1 410.946 2.617 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H]([NH+]2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000787711926 1076922909 /nfs/dbraw/zinc/92/29/09/1076922909.db2.gz PZTYOPHODRDLNH-UZLBHIALSA-N 1 1 410.946 2.617 20 0 HFADMO C[C@@H]1C[N@@H+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CCN1C(=O)OC(C)(C)C ZINC000787727827 1076932677 /nfs/dbraw/zinc/93/26/77/1076932677.db2.gz DEKAXDHVEBXEPD-ZOCZFRKYSA-N 1 1 413.559 2.688 20 0 HFADMO C[C@@H]1C[N@H+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CCN1C(=O)OC(C)(C)C ZINC000787727827 1076932679 /nfs/dbraw/zinc/93/26/79/1076932679.db2.gz DEKAXDHVEBXEPD-ZOCZFRKYSA-N 1 1 413.559 2.688 20 0 HFADMO Cc1nc2ccccn2c(=O)c1CC[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000787729522 1076932895 /nfs/dbraw/zinc/93/28/95/1076932895.db2.gz IRGWFPADMSTUQL-UHFFFAOYSA-N 1 1 400.523 2.877 20 0 HFADMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CCOCCNC(=O)OC(C)(C)C)C2)nc1 ZINC000787728865 1076933269 /nfs/dbraw/zinc/93/32/69/1076933269.db2.gz DITSZYDDJZDDJB-QGZVFWFLSA-N 1 1 406.527 2.582 20 0 HFADMO 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/nfs/dbraw/zinc/34/24/63/1077342463.db2.gz QHUFSKGJWCVPOU-RDJZCZTQSA-N 1 1 414.472 2.702 20 0 HFADMO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000791259026 1077350130 /nfs/dbraw/zinc/35/01/30/1077350130.db2.gz MICWEZRDIFWBEI-FHWLQOOXSA-N 1 1 405.514 2.767 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCc2ccccc2Br)cn1 ZINC000746993786 1077350440 /nfs/dbraw/zinc/35/04/40/1077350440.db2.gz MEBYANYYDIBLLF-UHFFFAOYSA-N 1 1 414.263 2.593 20 0 HFADMO Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)Cc2cnc3ccccc3c2)CC1 ZINC000788991540 1077375280 /nfs/dbraw/zinc/37/52/80/1077375280.db2.gz YQYSDOJSHBOHNX-UHFFFAOYSA-N 1 1 417.509 2.973 20 0 HFADMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2CC(c3c(F)cccc3F)=NO2)C[C@@H](C)O1 ZINC000791334029 1077377123 /nfs/dbraw/zinc/37/71/23/1077377123.db2.gz USFZRDNPAPHTCJ-CUYVQJCZSA-N 1 1 407.461 2.558 20 0 HFADMO C[NH+]1CCN(CCCCNC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)CC1 ZINC000789031235 1077388847 /nfs/dbraw/zinc/38/88/47/1077388847.db2.gz QHRRGYZLLWDZAD-UHFFFAOYSA-N 1 1 423.989 2.563 20 0 HFADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000789038704 1077390642 /nfs/dbraw/zinc/39/06/42/1077390642.db2.gz QOULLZULHJKIKH-OQSMONGASA-N 1 1 412.575 2.573 20 0 HFADMO C[C@@H]1C[N@H+](CCN(C)C(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000789038704 1077390651 /nfs/dbraw/zinc/39/06/51/1077390651.db2.gz QOULLZULHJKIKH-OQSMONGASA-N 1 1 412.575 2.573 20 0 HFADMO CC[N@@H+]1CCc2nc(NC(=O)[C@H]3CC(c4cc(OC)ccc4OC)=NO3)sc2C1 ZINC000791445693 1077410046 /nfs/dbraw/zinc/41/00/46/1077410046.db2.gz RBDNLGPLYJMHCI-QGZVFWFLSA-N 1 1 416.503 2.670 20 0 HFADMO CC[N@H+]1CCc2nc(NC(=O)[C@H]3CC(c4cc(OC)ccc4OC)=NO3)sc2C1 ZINC000791445693 1077410049 /nfs/dbraw/zinc/41/00/49/1077410049.db2.gz RBDNLGPLYJMHCI-QGZVFWFLSA-N 1 1 416.503 2.670 20 0 HFADMO Cn1cc([C@H]2C[N@@H+](C[C@@H](O)c3ccccc3)CCN2C[C@@H](O)c2ccccc2)cn1 ZINC000791486568 1077426856 /nfs/dbraw/zinc/42/68/56/1077426856.db2.gz MHTPRXQBZHCNSW-WXFUMESZSA-N 1 1 406.530 2.546 20 0 HFADMO Cc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)c3nc(Cl)cs3)CC2)cc1 ZINC000789215956 1077446766 /nfs/dbraw/zinc/44/67/66/1077446766.db2.gz JRORANARHISOPO-UHFFFAOYSA-N 1 1 407.923 2.996 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)COc2ccc(Br)cc2F)CC1 ZINC000791519309 1077452944 /nfs/dbraw/zinc/45/29/44/1077452944.db2.gz GJQRXJMMPYRTEE-UHFFFAOYSA-N 1 1 417.319 2.926 20 0 HFADMO COc1cccc(C2=NO[C@@H](C(=O)Nc3ccc(N4CCC[N@@H+](C)CC4)cc3)C2)c1 ZINC000791524857 1077454758 /nfs/dbraw/zinc/45/47/58/1077454758.db2.gz NYFGCWZJEGDCTF-JOCHJYFZSA-N 1 1 408.502 2.969 20 0 HFADMO CCc1ccccc1N1C[C@@H](C(=O)OCCC[NH+]2CCN(C(C)C)CC2)CC1=O ZINC000791569625 1077465185 /nfs/dbraw/zinc/46/51/85/1077465185.db2.gz LHSXTULTICXIOZ-FQEVSTJZSA-N 1 1 401.551 2.561 20 0 HFADMO CCc1ccccc1N1C[C@H](C(=O)OCCC[NH+]2CCN(C(C)C)CC2)CC1=O ZINC000791569627 1077465246 /nfs/dbraw/zinc/46/52/46/1077465246.db2.gz LHSXTULTICXIOZ-HXUWFJFHSA-N 1 1 401.551 2.561 20 0 HFADMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791619067 1077489748 /nfs/dbraw/zinc/48/97/48/1077489748.db2.gz LAPLUQWIPYULHA-NXHRZFHOSA-N 1 1 405.502 2.659 20 0 HFADMO Cc1cc2nc(C)c(CCC(=O)OCCC[NH+]3CCN(C(C)C)CC3)c(C)n2n1 ZINC000791620929 1077490455 /nfs/dbraw/zinc/49/04/55/1077490455.db2.gz SFCGNZPYXWOMSI-UHFFFAOYSA-N 1 1 401.555 2.546 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCC[N@@H+](C)Cc3ccc(F)cc3)C2)c1 ZINC000791624564 1077491789 /nfs/dbraw/zinc/49/17/89/1077491789.db2.gz MZRAYLROQZKREE-OAQYLSRUSA-N 1 1 415.465 2.584 20 0 HFADMO Cc1cc(C)c(N2CC[C@@H]([N@H+](C)CCN3C(=O)c4ccccc4C3=O)C2=O)c(C)c1 ZINC000789351684 1077512849 /nfs/dbraw/zinc/51/28/49/1077512849.db2.gz GBBUTQOIGPDCMZ-HXUWFJFHSA-N 1 1 405.498 2.945 20 0 HFADMO Cc1cc(C)c(N2CC[C@@H]([N@@H+](C)CCN3C(=O)c4ccccc4C3=O)C2=O)c(C)c1 ZINC000789351684 1077512851 /nfs/dbraw/zinc/51/28/51/1077512851.db2.gz GBBUTQOIGPDCMZ-HXUWFJFHSA-N 1 1 405.498 2.945 20 0 HFADMO Cc1cc(C)c(N2CC[C@H]([N@H+](C)CCN3C(=O)c4ccccc4C3=O)C2=O)c(C)c1 ZINC000789351682 1077512883 /nfs/dbraw/zinc/51/28/83/1077512883.db2.gz GBBUTQOIGPDCMZ-FQEVSTJZSA-N 1 1 405.498 2.945 20 0 HFADMO Cc1cc(C)c(N2CC[C@H]([N@@H+](C)CCN3C(=O)c4ccccc4C3=O)C2=O)c(C)c1 ZINC000789351682 1077512888 /nfs/dbraw/zinc/51/28/88/1077512888.db2.gz GBBUTQOIGPDCMZ-FQEVSTJZSA-N 1 1 405.498 2.945 20 0 HFADMO O=C(CCOCC(F)F)OCC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000791681632 1077526734 /nfs/dbraw/zinc/52/67/34/1077526734.db2.gz AWULWDNMWUPRSN-UHFFFAOYSA-N 1 1 420.456 2.699 20 0 HFADMO Cc1cc(C)c(N2C[C@@H](C(=O)OCCC[NH+]3CCN(C(C)C)CC3)CC2=O)c(C)c1 ZINC000791695238 1077531111 /nfs/dbraw/zinc/53/11/11/1077531111.db2.gz RWTSJEBBRUBOFZ-NRFANRHFSA-N 1 1 415.578 2.924 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)C2)c1 ZINC000791699346 1077532242 /nfs/dbraw/zinc/53/22/42/1077532242.db2.gz GCBGGANKEJNWSC-DMPWYTOCSA-N 1 1 415.534 2.966 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC(=O)NC(=O)NC1CCCCC1 ZINC000789363381 1077539158 /nfs/dbraw/zinc/53/91/58/1077539158.db2.gz KHJPLMMPTPAKQD-HNNXBMFYSA-N 1 1 402.495 2.795 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC(=O)NC(=O)NC1CCCCC1 ZINC000789363381 1077539161 /nfs/dbraw/zinc/53/91/61/1077539161.db2.gz KHJPLMMPTPAKQD-HNNXBMFYSA-N 1 1 402.495 2.795 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000789364396 1077539386 /nfs/dbraw/zinc/53/93/86/1077539386.db2.gz IWSJEZCOFCFNBY-INIZCTEOSA-N 1 1 424.501 2.977 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000789364396 1077539392 /nfs/dbraw/zinc/53/93/92/1077539392.db2.gz IWSJEZCOFCFNBY-INIZCTEOSA-N 1 1 424.501 2.977 20 0 HFADMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCCC3)c(F)c2)C1 ZINC000746802771 1077543855 /nfs/dbraw/zinc/54/38/55/1077543855.db2.gz IQBXLPMOWLNJHI-KRWDZBQOSA-N 1 1 402.514 2.555 20 0 HFADMO Cc1cc[nH+]c2cc(NCCN3CCN(S(=O)(=O)c4ccccc4)CC3)ccc12 ZINC001170107647 1077571923 /nfs/dbraw/zinc/57/19/23/1077571923.db2.gz TZLHJJCMPSKOME-UHFFFAOYSA-N 1 1 410.543 2.962 20 0 HFADMO Cc1c(C(=O)OCCN2CC[NH+](Cc3ccsc3)CC2)nnn1CC1CCCC1 ZINC000789438350 1077572910 /nfs/dbraw/zinc/57/29/10/1077572910.db2.gz QIMHKFRQFDYZSW-UHFFFAOYSA-N 1 1 417.579 2.813 20 0 HFADMO O=C(CCC(=O)N1CCOc2ccccc21)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000791827182 1077575639 /nfs/dbraw/zinc/57/56/39/1077575639.db2.gz XRIBCBXFPJEMQY-FQEVSTJZSA-N 1 1 407.514 2.831 20 0 HFADMO CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 ZINC000746814847 1077581308 /nfs/dbraw/zinc/58/13/08/1077581308.db2.gz WDLXQPGDZYIRCN-UHFFFAOYSA-N 1 1 416.566 2.878 20 0 HFADMO CS(=O)(=O)c1cccc(C(=O)COC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000791901603 1077590204 /nfs/dbraw/zinc/59/02/04/1077590204.db2.gz JPXZGFPPODKTHD-LJQANCHMSA-N 1 1 415.511 2.728 20 0 HFADMO Cn1cc(C(=O)OCC[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c(-c2ccoc2)n1 ZINC000789489665 1077592172 /nfs/dbraw/zinc/59/21/72/1077592172.db2.gz WFKVEPRJNOVCIK-UHFFFAOYSA-N 1 1 418.494 2.780 20 0 HFADMO Cn1cc(C(=O)OCC[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c(-c2ccoc2)n1 ZINC000789489665 1077592177 /nfs/dbraw/zinc/59/21/77/1077592177.db2.gz WFKVEPRJNOVCIK-UHFFFAOYSA-N 1 1 418.494 2.780 20 0 HFADMO CN(C)S(=O)(=O)c1ccc2oc(=S)n(C[N@@H+]3CCC[C@H]3[C@@H]3CCCO3)c2c1 ZINC000789499094 1077596291 /nfs/dbraw/zinc/59/62/91/1077596291.db2.gz APPHENDZHJBPPA-HOCLYGCPSA-N 1 1 411.549 2.815 20 0 HFADMO CN(C)S(=O)(=O)c1ccc2oc(=S)n(C[N@H+]3CCC[C@H]3[C@@H]3CCCO3)c2c1 ZINC000789499094 1077596297 /nfs/dbraw/zinc/59/62/97/1077596297.db2.gz APPHENDZHJBPPA-HOCLYGCPSA-N 1 1 411.549 2.815 20 0 HFADMO CN(C)S(=O)(=O)c1ccc2oc(=S)n(C[N@@H+]3CCC[C@@H]3[C@H]3CCCO3)c2c1 ZINC000789499085 1077596349 /nfs/dbraw/zinc/59/63/49/1077596349.db2.gz APPHENDZHJBPPA-GDBMZVCRSA-N 1 1 411.549 2.815 20 0 HFADMO CN(C)S(=O)(=O)c1ccc2oc(=S)n(C[N@H+]3CCC[C@@H]3[C@H]3CCCO3)c2c1 ZINC000789499085 1077596353 /nfs/dbraw/zinc/59/63/53/1077596353.db2.gz APPHENDZHJBPPA-GDBMZVCRSA-N 1 1 411.549 2.815 20 0 HFADMO Brc1ccc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c(N2CCOCC2)c1 ZINC000789508072 1077600824 /nfs/dbraw/zinc/60/08/24/1077600824.db2.gz VQMLAQIQRDTEFP-MRXNPFEDSA-N 1 1 411.340 2.871 20 0 HFADMO CCNC(=O)C[C@H]1CCCC[N@@H+]1CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O ZINC000789518733 1077612986 /nfs/dbraw/zinc/61/29/86/1077612986.db2.gz HKZJEFQYXKQWPN-XIKOKIGWSA-N 1 1 412.943 2.507 20 0 HFADMO CCNC(=O)C[C@H]1CCCC[N@H+]1CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O ZINC000789518733 1077612987 /nfs/dbraw/zinc/61/29/87/1077612987.db2.gz HKZJEFQYXKQWPN-XIKOKIGWSA-N 1 1 412.943 2.507 20 0 HFADMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CN1c2ccccc2OCCC1=O ZINC000791979994 1077621252 /nfs/dbraw/zinc/62/12/52/1077621252.db2.gz RLTOJHTUYLWYLC-ICSRJNTNSA-N 1 1 405.498 2.945 20 0 HFADMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)Cc1csc(N2CCCC2=O)n1 ZINC000791981216 1077621718 /nfs/dbraw/zinc/62/17/18/1077621718.db2.gz DIJBODRWYFZATE-HKUYNNGSSA-N 1 1 410.543 2.955 20 0 HFADMO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[NH+]2CCC3(CCOCC3)CC2)C1=O ZINC000789528966 1077624332 /nfs/dbraw/zinc/62/43/32/1077624332.db2.gz GQTJOXMXBSCBMT-JOCHJYFZSA-N 1 1 401.507 2.702 20 0 HFADMO CN(C)S(=O)(=O)c1ccc2oc(=S)n(C[N@@H+]3CC[C@]4(C3)CCCOC4)c2c1 ZINC000789547727 1077639568 /nfs/dbraw/zinc/63/95/68/1077639568.db2.gz YEHMNAAWRBASEF-SFHVURJKSA-N 1 1 411.549 2.674 20 0 HFADMO CN(C)S(=O)(=O)c1ccc2oc(=S)n(C[N@H+]3CC[C@]4(C3)CCCOC4)c2c1 ZINC000789547727 1077639571 /nfs/dbraw/zinc/63/95/71/1077639571.db2.gz YEHMNAAWRBASEF-SFHVURJKSA-N 1 1 411.549 2.674 20 0 HFADMO COc1ccc(C)cc1CCNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792025110 1077656456 /nfs/dbraw/zinc/65/64/56/1077656456.db2.gz ISWCDHICABQBDO-UHFFFAOYSA-N 1 1 405.539 2.605 20 0 HFADMO COc1ccc(OC)c([C@@H](C)NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792029085 1077657847 /nfs/dbraw/zinc/65/78/47/1077657847.db2.gz IKKAJAXBVBANMF-MRXNPFEDSA-N 1 1 421.538 2.824 20 0 HFADMO CC(=O)Nc1cccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1C ZINC000792053148 1077659275 /nfs/dbraw/zinc/65/92/75/1077659275.db2.gz YNQFJMMHQGKMEL-UHFFFAOYSA-N 1 1 404.511 2.835 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)Nc1cccc2c1OC(C)(C)C2 ZINC000789557886 1077675692 /nfs/dbraw/zinc/67/56/92/1077675692.db2.gz HGDWEBQKQMJQSS-UHFFFAOYSA-N 1 1 405.458 2.544 20 0 HFADMO C[C@H](COc1cccc(F)c1)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792073304 1077680196 /nfs/dbraw/zinc/68/01/96/1077680196.db2.gz CXYSNMMQYBMWBX-MRXNPFEDSA-N 1 1 409.502 2.652 20 0 HFADMO Cc1cccc(N2CCN(C(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1 ZINC000792034430 1077685820 /nfs/dbraw/zinc/68/58/20/1077685820.db2.gz QENQKXPJZAMETO-UHFFFAOYSA-N 1 1 416.566 2.586 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000792039393 1077688912 /nfs/dbraw/zinc/68/89/12/1077688912.db2.gz DJMFCLBXBHSWCP-LJQANCHMSA-N 1 1 403.523 2.529 20 0 HFADMO C[C@@H](CNC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)NC(=O)OC(C)(C)C ZINC000792048519 1077693216 /nfs/dbraw/zinc/69/32/16/1077693216.db2.gz WLBACSMBQHAKCT-IRXDYDNUSA-N 1 1 420.554 2.620 20 0 HFADMO C[C@@H](CNC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)NC(=O)OC(C)(C)C ZINC000792048519 1077693223 /nfs/dbraw/zinc/69/32/23/1077693223.db2.gz WLBACSMBQHAKCT-IRXDYDNUSA-N 1 1 420.554 2.620 20 0 HFADMO O=C(NCc1nc(Cc2ccccc2)no1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792050210 1077694166 /nfs/dbraw/zinc/69/41/66/1077694166.db2.gz UIFVFUMCKGIFPM-FQEVSTJZSA-N 1 1 405.502 2.982 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)c2cccc(Cc3cnc(N)s3)c2)CC1 ZINC000792104234 1077698217 /nfs/dbraw/zinc/69/82/17/1077698217.db2.gz LXRPJIPWPMTYQD-UHFFFAOYSA-N 1 1 402.564 2.889 20 0 HFADMO C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C[C@H](c2ccccc2)O1 ZINC000792086962 1077710887 /nfs/dbraw/zinc/71/08/87/1077710887.db2.gz XDKVLHDDCRFFLV-UYAOXDASSA-N 1 1 417.550 2.918 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCO[C@H](c3cccc(F)c3)C2)CC1 ZINC000792127828 1077715517 /nfs/dbraw/zinc/71/55/17/1077715517.db2.gz AQMXALRTSVNJCE-IBGZPJMESA-N 1 1 421.513 2.668 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCCO[C@H](c3ccccc3)C2)CC1 ZINC000792143827 1077721115 /nfs/dbraw/zinc/72/11/15/1077721115.db2.gz SDUOHTIYRQUTMA-FQEVSTJZSA-N 1 1 417.550 2.919 20 0 HFADMO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000789658253 1077722695 /nfs/dbraw/zinc/72/26/95/1077722695.db2.gz CUUVCFPAYXMFOI-XZOQPEGZSA-N 1 1 423.557 2.658 20 0 HFADMO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000789658250 1077722748 /nfs/dbraw/zinc/72/27/48/1077722748.db2.gz CUUVCFPAYXMFOI-DHIUTWEWSA-N 1 1 423.557 2.658 20 0 HFADMO COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)c3ccccc32)CCC[N@H+](Cc2ccccc2)C1 ZINC000789658990 1077723492 /nfs/dbraw/zinc/72/34/92/1077723492.db2.gz YKRLSMHJJSUTLT-HYBUGGRVSA-N 1 1 406.482 2.681 20 0 HFADMO COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)c3ccccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000789658990 1077723497 /nfs/dbraw/zinc/72/34/97/1077723497.db2.gz YKRLSMHJJSUTLT-HYBUGGRVSA-N 1 1 406.482 2.681 20 0 HFADMO CC(C)(C)OC(=O)N1CC(CNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000792152060 1077724527 /nfs/dbraw/zinc/72/45/27/1077724527.db2.gz HFUMDLLFGZTYQM-GOSISDBHSA-N 1 1 402.539 2.675 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@H](O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000792172421 1077733862 /nfs/dbraw/zinc/73/38/62/1077733862.db2.gz WBXRMJPVWRYHIA-GOSISDBHSA-N 1 1 402.457 2.568 20 0 HFADMO COC(=O)N1CCC([C@@H](C)NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000792177129 1077735987 /nfs/dbraw/zinc/73/59/87/1077735987.db2.gz BHFAVYHPTJMNFT-MJGOQNOKSA-N 1 1 402.539 2.675 20 0 HFADMO COC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792205552 1077745021 /nfs/dbraw/zinc/74/50/21/1077745021.db2.gz RMRYFWKZKGUSCS-QZTJIDSGSA-N 1 1 406.910 2.658 20 0 HFADMO C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792232309 1077756039 /nfs/dbraw/zinc/75/60/39/1077756039.db2.gz PBHBNVRACSEJKB-HUUCEWRRSA-N 1 1 402.520 2.963 20 0 HFADMO O=C(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)c1nc(Br)ccc1F ZINC000792238257 1077759536 /nfs/dbraw/zinc/75/95/36/1077759536.db2.gz MVOYDFORYWMTRO-ZBFHGGJFSA-N 1 1 422.298 2.596 20 0 HFADMO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000792244306 1077762824 /nfs/dbraw/zinc/76/28/24/1077762824.db2.gz WWWPPSIXAMNTMZ-UKRRQHHQSA-N 1 1 422.323 2.980 20 0 HFADMO CCCCn1ncc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)c1C(C)C ZINC000792210526 1077765891 /nfs/dbraw/zinc/76/58/91/1077765891.db2.gz MJNFIDWEJDFGPR-UHFFFAOYSA-N 1 1 423.521 2.951 20 0 HFADMO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792212643 1077767017 /nfs/dbraw/zinc/76/70/17/1077767017.db2.gz ANTPKUZYYCFFFO-FQEVSTJZSA-N 1 1 419.566 2.820 20 0 HFADMO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792212644 1077767036 /nfs/dbraw/zinc/76/70/36/1077767036.db2.gz ANTPKUZYYCFFFO-HXUWFJFHSA-N 1 1 419.566 2.820 20 0 HFADMO CN(C)c1ccc(NC(=O)CC[N@H+]2CC[C@@H](N3CC(=O)Nc4ccccc43)C2)cc1 ZINC000792285634 1077775610 /nfs/dbraw/zinc/77/56/10/1077775610.db2.gz CXQLBWBPNDULGW-LJQANCHMSA-N 1 1 407.518 2.614 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000792293750 1077778671 /nfs/dbraw/zinc/77/86/71/1077778671.db2.gz KGNOWJWKWFDXIO-FPOVZHCZSA-N 1 1 417.550 2.823 20 0 HFADMO CS(=O)(=O)c1ccc(COC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)cc1 ZINC000792263511 1077785485 /nfs/dbraw/zinc/78/54/85/1077785485.db2.gz WRAPJIADZLBCMD-UHFFFAOYSA-N 1 1 407.398 2.965 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@H]3CCC[N@@H+](CC(C)C)C3)C2)c1 ZINC000792265423 1077787075 /nfs/dbraw/zinc/78/70/75/1077787075.db2.gz XGQHWNKZVSPASO-IERDGZPVSA-N 1 1 403.523 2.681 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[N@H+](CCOC(=O)[C@H]2COc3ccccc3C2)CC1 ZINC000789791543 1077797327 /nfs/dbraw/zinc/79/73/27/1077797327.db2.gz DVRPUIKXYLVVMW-GOSISDBHSA-N 1 1 404.507 2.724 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[N@@H+](CCOC(=O)[C@H]2COc3ccccc3C2)CC1 ZINC000789791543 1077797330 /nfs/dbraw/zinc/79/73/30/1077797330.db2.gz DVRPUIKXYLVVMW-GOSISDBHSA-N 1 1 404.507 2.724 20 0 HFADMO CC(C)n1cc2c(n1)[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)CCC2 ZINC000792307896 1077798605 /nfs/dbraw/zinc/79/86/05/1077798605.db2.gz RJLFFOYXMDIKHU-SFHVURJKSA-N 1 1 419.570 2.900 20 0 HFADMO Cc1nn(CC(=O)OCC[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c(C)c1Cl ZINC000789792778 1077799889 /nfs/dbraw/zinc/79/98/89/1077799889.db2.gz XSPIANBYZNWYCW-UHFFFAOYSA-N 1 1 414.934 2.639 20 0 HFADMO Cc1nn(CC(=O)OCC[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c(C)c1Cl ZINC000789792778 1077799895 /nfs/dbraw/zinc/79/98/95/1077799895.db2.gz XSPIANBYZNWYCW-UHFFFAOYSA-N 1 1 414.934 2.639 20 0 HFADMO C[C@H]1C[C@@H](c2cccnc2)N(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792317082 1077804107 /nfs/dbraw/zinc/80/41/07/1077804107.db2.gz FIJPPBWRVNFLEB-HKUYNNGSSA-N 1 1 402.539 2.934 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000792330012 1077809876 /nfs/dbraw/zinc/80/98/76/1077809876.db2.gz SLXLGZLCPDFOAH-WOJBJXKFSA-N 1 1 417.550 2.966 20 0 HFADMO CN(C)c1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000792369849 1077818665 /nfs/dbraw/zinc/81/86/65/1077818665.db2.gz WSWPDQTXVVOQRM-KRWDZBQOSA-N 1 1 414.937 2.983 20 0 HFADMO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+]1CCc1ccc(S(N)(=O)=O)cc1 ZINC000792337034 1077824854 /nfs/dbraw/zinc/82/48/54/1077824854.db2.gz WOMDLVDEJJXPCE-JOCHJYFZSA-N 1 1 416.543 2.517 20 0 HFADMO O=C(COC(=O)c1csc(C(F)(F)F)n1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000792336958 1077824973 /nfs/dbraw/zinc/82/49/73/1077824973.db2.gz NNCUBKZPYGTDST-UHFFFAOYSA-N 1 1 413.421 2.663 20 0 HFADMO CCn1cc([C@H](O)C[N@@H+](Cc2ccccc2)[C@@H]2CCN(CC(F)(F)F)C2=O)cn1 ZINC000792376846 1077826542 /nfs/dbraw/zinc/82/65/42/1077826542.db2.gz ONRUBEMNUWWZEC-QZTJIDSGSA-N 1 1 410.440 2.602 20 0 HFADMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1nc(Br)ccc1F ZINC000792342469 1077827173 /nfs/dbraw/zinc/82/71/73/1077827173.db2.gz SXYTYRZWWOINJA-LJQANCHMSA-N 1 1 422.298 2.692 20 0 HFADMO Nc1c(Cl)cc(NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cc1Cl ZINC000789822210 1077828297 /nfs/dbraw/zinc/82/82/97/1077828297.db2.gz YYCYETCXBKABKA-UHFFFAOYSA-N 1 1 424.336 2.699 20 0 HFADMO CCOCc1ccc(CNC(=O)C[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc1 ZINC000792386169 1077828815 /nfs/dbraw/zinc/82/88/15/1077828815.db2.gz RJGQFXZDXQZYHU-UHFFFAOYSA-N 1 1 401.482 2.917 20 0 HFADMO O=C(C[NH+]1CCC(Oc2ccc(F)nc2)CC1)NCc1ccc(OC(F)F)cc1 ZINC000792387251 1077830700 /nfs/dbraw/zinc/83/07/00/1077830700.db2.gz ZZNCRHYRTZIMKA-UHFFFAOYSA-N 1 1 409.408 2.982 20 0 HFADMO Cc1[nH+]ccn1CCCC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000772795339 1077831439 /nfs/dbraw/zinc/83/14/39/1077831439.db2.gz CEWRQKYXAKCEBR-INIZCTEOSA-N 1 1 405.296 2.656 20 0 HFADMO O=C(Nc1cccc(C(F)(F)F)n1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792405304 1077838956 /nfs/dbraw/zinc/83/89/56/1077838956.db2.gz QAXXDQWRQNQDND-IYBDPMFKSA-N 1 1 418.419 2.629 20 0 HFADMO CCn1cc([C@@H](O)C[N@@H+](CCn2cnc3ccccc3c2=O)Cc2ccccc2)cn1 ZINC000792378502 1077844138 /nfs/dbraw/zinc/84/41/38/1077844138.db2.gz QAAOIANBDDIJGH-QHCPKHFHSA-N 1 1 417.513 2.849 20 0 HFADMO C[C@@H](OC(=O)c1nc2cccnc2s1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792382078 1077845826 /nfs/dbraw/zinc/84/58/26/1077845826.db2.gz QLIPLTGPYICHJM-ZBFHGGJFSA-N 1 1 410.499 2.627 20 0 HFADMO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000789943362 1077861954 /nfs/dbraw/zinc/86/19/54/1077861954.db2.gz YPOVOTIOYJZOMJ-IRXDYDNUSA-N 1 1 414.472 2.598 20 0 HFADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000789943362 1077861964 /nfs/dbraw/zinc/86/19/64/1077861964.db2.gz YPOVOTIOYJZOMJ-IRXDYDNUSA-N 1 1 414.472 2.598 20 0 HFADMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCN(C(=O)c2cccnc2)CC1 ZINC000792499041 1077868109 /nfs/dbraw/zinc/86/81/09/1077868109.db2.gz SWJJKYDMVGHKIS-HXUWFJFHSA-N 1 1 406.530 2.572 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000792499106 1077868423 /nfs/dbraw/zinc/86/84/23/1077868423.db2.gz UTNOMCDVSIKANQ-PGRDOPGGSA-N 1 1 405.514 2.974 20 0 HFADMO COc1cccc(Cl)c1CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792482283 1077877485 /nfs/dbraw/zinc/87/74/85/1077877485.db2.gz OJMQLYYWAFAELN-UHFFFAOYSA-N 1 1 411.930 2.908 20 0 HFADMO O=C1c2ccc(Cl)cc2S(=O)(=O)N1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000789982401 1077882689 /nfs/dbraw/zinc/88/26/89/1077882689.db2.gz MTUCQOVWERIXOA-QGZVFWFLSA-N 1 1 420.918 2.776 20 0 HFADMO O=C1c2ccc(Cl)cc2S(=O)(=O)N1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000789982401 1077882695 /nfs/dbraw/zinc/88/26/95/1077882695.db2.gz MTUCQOVWERIXOA-QGZVFWFLSA-N 1 1 420.918 2.776 20 0 HFADMO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000772797984 1077900793 /nfs/dbraw/zinc/90/07/93/1077900793.db2.gz KVCXCCZSZNBHEB-DENIHFKCSA-N 1 1 400.567 2.801 20 0 HFADMO CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000772798683 1077904797 /nfs/dbraw/zinc/90/47/97/1077904797.db2.gz MVRSSSBHVRFFAO-KRWDZBQOSA-N 1 1 407.511 2.690 20 0 HFADMO CC[C@H]1C[C@H]([N@H+]2C[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C[C@]3(C(=O)OC)C2)CCO1 ZINC001170207211 1077906517 /nfs/dbraw/zinc/90/65/17/1077906517.db2.gz KGOSOPFFSIBLGA-YXVFRVAKSA-N 1 1 422.566 2.922 20 0 HFADMO C[C@@](CO)([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccc(Br)cc1 ZINC001170204222 1077913150 /nfs/dbraw/zinc/91/31/50/1077913150.db2.gz ACDIWCVFESVIFT-SFHVURJKSA-N 1 1 412.349 2.861 20 0 HFADMO CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792578255 1077915083 /nfs/dbraw/zinc/91/50/83/1077915083.db2.gz LSPSZXVZHHRHLE-CEXWTWQISA-N 1 1 417.575 2.887 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000792579781 1077915887 /nfs/dbraw/zinc/91/58/87/1077915887.db2.gz XAWRCDPIIKWHDP-SELNLUPBSA-N 1 1 417.525 2.926 20 0 HFADMO 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O=C(N1C[C@@H]2C[N@@H+](Cc3ccn(-c4c(F)cccc4F)n3)CC[C@@H]2C1)C(F)(F)F ZINC001170280139 1077936132 /nfs/dbraw/zinc/93/61/32/1077936132.db2.gz BAXMUDNWAQOQCC-OLZOCXBDSA-N 1 1 414.378 2.993 20 0 HFADMO C[C@@H](Cc1ccccc1Cl)[N@@H+]1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001170283401 1077937315 /nfs/dbraw/zinc/93/73/15/1077937315.db2.gz KUMKDSAUTWIQRI-UWJYYQICSA-N 1 1 402.926 2.669 20 0 HFADMO C[C@@H](Cc1ccccc1Cl)[N@H+]1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001170283401 1077937317 /nfs/dbraw/zinc/93/73/17/1077937317.db2.gz KUMKDSAUTWIQRI-UWJYYQICSA-N 1 1 402.926 2.669 20 0 HFADMO NC(=O)CC[N@H+](CC(=O)NC1(c2ccccc2)CCC1)[C@H]1CCOc2ccccc21 ZINC001170290673 1077939150 /nfs/dbraw/zinc/93/91/50/1077939150.db2.gz PHHVDDCPOQCNED-FQEVSTJZSA-N 1 1 407.514 2.883 20 0 HFADMO NC(=O)CC[N@@H+](CC(=O)NC1(c2ccccc2)CCC1)[C@H]1CCOc2ccccc21 ZINC001170290673 1077939152 /nfs/dbraw/zinc/93/91/52/1077939152.db2.gz PHHVDDCPOQCNED-FQEVSTJZSA-N 1 1 407.514 2.883 20 0 HFADMO 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CC[N@@H+](CCCNC(=O)c1ccc(N2NC(=O)CCC2=O)cc1)C1CCCCC1 ZINC001130584990 1079558325 /nfs/dbraw/zinc/55/83/25/1079558325.db2.gz AXSVELZSJYRWHX-UHFFFAOYSA-N 1 1 400.523 2.619 20 0 HFADMO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc[nH]1 ZINC000806310696 1079564704 /nfs/dbraw/zinc/56/47/04/1079564704.db2.gz BOBJVUALOQXSNV-CZUORRHYSA-N 1 1 408.424 2.601 20 0 HFADMO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc[nH]1 ZINC000806310696 1079564708 /nfs/dbraw/zinc/56/47/08/1079564708.db2.gz BOBJVUALOQXSNV-CZUORRHYSA-N 1 1 408.424 2.601 20 0 HFADMO CN(C[C@@H]1C[C@H](F)CN1C(=O)NC[C@@H](c1ccco1)[NH+](C)C)C(=O)OC(C)(C)C ZINC000806294356 1079583266 /nfs/dbraw/zinc/58/32/66/1079583266.db2.gz DTKUZAQHYHGLEU-JYJNAYRXSA-N 1 1 412.506 2.871 20 0 HFADMO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000806296027 1079583814 /nfs/dbraw/zinc/58/38/14/1079583814.db2.gz WOBKNDSDHRZHIR-IBGZPJMESA-N 1 1 424.586 2.720 20 0 HFADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)C1 ZINC000806321835 1079592891 /nfs/dbraw/zinc/59/28/91/1079592891.db2.gz AVIHDTQBZUIZMW-PMACEKPBSA-N 1 1 424.586 2.576 20 0 HFADMO CCCCC[C@H](NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)C(C)(C)C ZINC000806322490 1079594111 /nfs/dbraw/zinc/59/41/11/1079594111.db2.gz WZXXGMASMNKWAB-UXHICEINSA-N 1 1 408.631 2.726 20 0 HFADMO Cc1ccccc1[C@H](O)C1CCN(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000806323534 1079595765 /nfs/dbraw/zinc/59/57/65/1079595765.db2.gz UBIKODRHTHBCJQ-IFMALSPDSA-N 1 1 403.567 2.807 20 0 HFADMO Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)c12 ZINC000747325556 1079598091 /nfs/dbraw/zinc/59/80/91/1079598091.db2.gz NBYZBFJHEGISPU-HUUCEWRRSA-N 1 1 411.531 2.598 20 0 HFADMO CCc1ccc(N2CCN(C(=O)NCC(C)(C)[NH+]3CCN(C)CC3)CC2)cc1Cl ZINC000806362919 1079650179 /nfs/dbraw/zinc/65/01/79/1079650179.db2.gz WYFQZZUBRFOCBE-UHFFFAOYSA-N 1 1 422.017 2.760 20 0 HFADMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000806423746 1079668557 /nfs/dbraw/zinc/66/85/57/1079668557.db2.gz CZAXKPORRNPLHE-RTWAWAEBSA-N 1 1 411.933 2.704 20 0 HFADMO C[N@@H+](CCCNC(=O)N1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1)C1CCCCC1 ZINC000806399493 1079688035 /nfs/dbraw/zinc/68/80/35/1079688035.db2.gz PWDALNQMARBAGL-AZUAARDMSA-N 1 1 424.586 2.720 20 0 HFADMO Cn1[nH]cc2c(=NC(=O)N[C@@H]3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)ccnc1-2 ZINC000806490763 1079741890 /nfs/dbraw/zinc/74/18/90/1079741890.db2.gz LXLIWIYYMDCNCH-YZGWKJHDSA-N 1 1 404.518 2.764 20 0 HFADMO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCS(=O)(=O)Cc1ccccc1)[NH+](C)C ZINC000806538654 1079777482 /nfs/dbraw/zinc/77/74/82/1079777482.db2.gz OXSXVZLZOHTVPI-WIYYLYMNSA-N 1 1 417.575 2.900 20 0 HFADMO C[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(Cl)nc2)CC[N@H+]1Cc1ccccc1 ZINC000806593580 1079836647 /nfs/dbraw/zinc/83/66/47/1079836647.db2.gz KEZROKGUPYYXEO-QGZVFWFLSA-N 1 1 414.937 2.517 20 0 HFADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(=O)NCCc2ccc(Cl)nc2)cc1 ZINC000806595063 1079837142 /nfs/dbraw/zinc/83/71/42/1079837142.db2.gz MNOYXAOVLWTRSV-AWEZNQCLSA-N 1 1 411.893 2.765 20 0 HFADMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NCCc1ccc(Cl)nc1 ZINC000806604459 1079845371 /nfs/dbraw/zinc/84/53/71/1079845371.db2.gz YFMLQTJKOGKSCP-IAGOWNOFSA-N 1 1 414.937 2.515 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NCCc1ccc(Cl)nc1 ZINC000806604459 1079845381 /nfs/dbraw/zinc/84/53/81/1079845381.db2.gz YFMLQTJKOGKSCP-IAGOWNOFSA-N 1 1 414.937 2.515 20 0 HFADMO COc1ccc2cc(NC(=O)N3CCC(C(=O)N4CC[NH+](C)CC4)CC3)ccc2c1 ZINC000806611119 1079854548 /nfs/dbraw/zinc/85/45/48/1079854548.db2.gz MADJIBZJSVIFPW-UHFFFAOYSA-N 1 1 410.518 2.866 20 0 HFADMO C[C@@H](O)c1ccc(CNC(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000806653168 1079872197 /nfs/dbraw/zinc/87/21/97/1079872197.db2.gz WVJBFKMGRHOZOG-YKSBVNFPSA-N 1 1 422.573 2.842 20 0 HFADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)C1 ZINC000806728189 1079952475 /nfs/dbraw/zinc/95/24/75/1079952475.db2.gz LHBRVACTWVBHHW-ICSRJNTNSA-N 1 1 415.578 2.643 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000806729331 1079952986 /nfs/dbraw/zinc/95/29/86/1079952986.db2.gz MHCKTXVUISFBDZ-GCJKJVERSA-N 1 1 423.557 2.557 20 0 HFADMO CC(=O)Nc1ccc(CC(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001130733062 1079971513 /nfs/dbraw/zinc/97/15/13/1079971513.db2.gz IIRFNBQUPOGJMM-GOTSBHOMSA-N 1 1 407.514 2.689 20 0 HFADMO O=C(c1ccnc(OCC(F)F)c1)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001130733730 1079973814 /nfs/dbraw/zinc/97/38/14/1079973814.db2.gz XOHFBCQTULDIKB-RTBURBONSA-N 1 1 417.456 2.841 20 0 HFADMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000806770730 1079989567 /nfs/dbraw/zinc/98/95/67/1079989567.db2.gz YXNRISZXNJQNDD-XUVXKRRUSA-N 1 1 424.586 2.720 20 0 HFADMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000806770731 1079989609 /nfs/dbraw/zinc/98/96/09/1079989609.db2.gz YXNRISZXNJQNDD-ZCNNSNEGSA-N 1 1 424.586 2.720 20 0 HFADMO CN1CC[NH+](CCCOc2ccc(NC(=O)[C@]34CCO[C@H]3CCCC4)cc2)CC1 ZINC001130742172 1080005745 /nfs/dbraw/zinc/00/57/45/1080005745.db2.gz LPKREAAZTHHDML-JTHBVZDNSA-N 1 1 401.551 2.991 20 0 HFADMO O=C(NCC[N@H+]1CCCOCC1)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000806798266 1080016634 /nfs/dbraw/zinc/01/66/34/1080016634.db2.gz KNPCMSIXHGAYKA-UHFFFAOYSA-N 1 1 411.222 2.707 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC000806804102 1080021032 /nfs/dbraw/zinc/02/10/32/1080021032.db2.gz CZTMTWVSQHDZHG-UHFFFAOYSA-N 1 1 423.452 2.956 20 0 HFADMO C[C@@H](O)C[NH+]1CCN(C(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000806804820 1080022019 /nfs/dbraw/zinc/02/20/19/1080022019.db2.gz PMBPWENLKVPOQO-IEBWSBKVSA-N 1 1 419.566 2.804 20 0 HFADMO CC1(C)C[N@@H+](C2(CNC(=O)c3cnc(C4OCCO4)s3)CCCCC2)CCO1 ZINC000806824580 1080040343 /nfs/dbraw/zinc/04/03/43/1080040343.db2.gz PZGOUUVUDGDBKD-UHFFFAOYSA-N 1 1 409.552 2.732 20 0 HFADMO CC1(C)C[N@H+](C2(CNC(=O)c3cnc(C4OCCO4)s3)CCCCC2)CCO1 ZINC000806824580 1080040351 /nfs/dbraw/zinc/04/03/51/1080040351.db2.gz PZGOUUVUDGDBKD-UHFFFAOYSA-N 1 1 409.552 2.732 20 0 HFADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000806834679 1080047219 /nfs/dbraw/zinc/04/72/19/1080047219.db2.gz FQADHEJMZUPWAQ-MOPGFXCFSA-N 1 1 418.582 2.641 20 0 HFADMO C[C@H](CNC(=O)N1CCCC[C@@H]1COC(=O)NC1CCCCC1)C[NH+]1CCOCC1 ZINC000806841070 1080054376 /nfs/dbraw/zinc/05/43/76/1080054376.db2.gz WGKOFLXFZDDPBA-UYAOXDASSA-N 1 1 424.586 2.578 20 0 HFADMO O=C(Nc1ccc(N2CCNC(=O)C2)cc1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000747360262 1080055467 /nfs/dbraw/zinc/05/54/67/1080055467.db2.gz RZSUVLMEWBZKKE-OAQYLSRUSA-N 1 1 410.493 2.755 20 0 HFADMO O=C(Nc1ccc(N2CCNC(=O)C2)cc1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000747360262 1080055475 /nfs/dbraw/zinc/05/54/75/1080055475.db2.gz RZSUVLMEWBZKKE-OAQYLSRUSA-N 1 1 410.493 2.755 20 0 HFADMO C[C@H](CNC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000806865124 1080067186 /nfs/dbraw/zinc/06/71/86/1080067186.db2.gz PRGUFJSAOCQJCE-ZJSXRUAMSA-N 1 1 424.589 2.815 20 0 HFADMO COC(OC)c1ccc(C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@@H+](C)C3)cc2)o1 ZINC000806927412 1080095540 /nfs/dbraw/zinc/09/55/40/1080095540.db2.gz IXOIECGUAFPACC-KRWDZBQOSA-N 1 1 415.490 2.990 20 0 HFADMO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000806928582 1080096301 /nfs/dbraw/zinc/09/63/01/1080096301.db2.gz VHXWNDDIUSHSDU-SXLOBPIMSA-N 1 1 402.539 2.960 20 0 HFADMO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000806928580 1080096348 /nfs/dbraw/zinc/09/63/48/1080096348.db2.gz VHXWNDDIUSHSDU-IHPCNDPISA-N 1 1 402.539 2.960 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806935357 1080143032 /nfs/dbraw/zinc/14/30/32/1080143032.db2.gz XIJGVYRBHDFNQJ-DYESRHJHSA-N 1 1 409.530 2.879 20 0 HFADMO Cc1ccc(CC(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)c(Cl)n1 ZINC000806986368 1080197880 /nfs/dbraw/zinc/19/78/80/1080197880.db2.gz AHDUZPMCRFTMIU-UHFFFAOYSA-N 1 1 400.910 2.541 20 0 HFADMO O=C(NCCC1CCC1)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000807039568 1080229465 /nfs/dbraw/zinc/22/94/65/1080229465.db2.gz BIXRQBFZFBHWAZ-UHFFFAOYSA-N 1 1 422.367 2.836 20 0 HFADMO CSCC[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000807050778 1080234127 /nfs/dbraw/zinc/23/41/27/1080234127.db2.gz BBOAZUHSXQAOIE-OJAHFUOMSA-N 1 1 403.592 2.661 20 0 HFADMO CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000807113849 1080290636 /nfs/dbraw/zinc/29/06/36/1080290636.db2.gz IKECZIJJASANGP-YSIASYRMSA-N 1 1 402.539 2.817 20 0 HFADMO C[C@@]1(CNC(=O)C(=O)NC[C@@H]2CCc3ccccc3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000807116926 1080292500 /nfs/dbraw/zinc/29/25/00/1080292500.db2.gz RALNIWRUOJIVOI-RLWLMLJZSA-N 1 1 419.569 2.936 20 0 HFADMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCOc3c(Cl)c(Cl)ccc32)[C@H](C)C1 ZINC000807173651 1080327870 /nfs/dbraw/zinc/32/78/70/1080327870.db2.gz ASUWECOHMZCGPQ-XUJVJEKNSA-N 1 1 402.322 2.914 20 0 HFADMO CCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000807189471 1080338331 /nfs/dbraw/zinc/33/83/31/1080338331.db2.gz VVWWQSQYHCMRQP-VQTJNVASSA-N 1 1 402.539 2.819 20 0 HFADMO CC(=O)NCC[C@@H]1CCCN(C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000807202927 1080349681 /nfs/dbraw/zinc/34/96/81/1080349681.db2.gz IDPGNQLGGIELPO-GMAHTHKFSA-N 1 1 400.567 2.846 20 0 HFADMO CCNC(=O)C[C@H]1CCCCN1C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000807204145 1080350317 /nfs/dbraw/zinc/35/03/17/1080350317.db2.gz WIFDYNLKKVFLGW-NFBKMPQASA-N 1 1 400.567 2.989 20 0 HFADMO CCNC(=O)C[C@H]1CCCCN1C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000807204147 1080350335 /nfs/dbraw/zinc/35/03/35/1080350335.db2.gz WIFDYNLKKVFLGW-OFNKIYASSA-N 1 1 400.567 2.989 20 0 HFADMO CC[NH+]1CCN(c2ccc(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)cc2F)CC1 ZINC000807233754 1080391741 /nfs/dbraw/zinc/39/17/41/1080391741.db2.gz ZJNUWGAFXNWOLD-VOTSOKGWSA-N 1 1 420.529 2.778 20 0 HFADMO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC001130895327 1080430868 /nfs/dbraw/zinc/43/08/68/1080430868.db2.gz MMMTXTPIUYIFLJ-AWEZNQCLSA-N 1 1 415.987 2.972 20 0 HFADMO CCOC(=O)C1=C(Nc2nccc3c2OCC(=O)N3)CC[N@@H+](Cc2ccccc2)C1 ZINC001170522005 1080492941 /nfs/dbraw/zinc/49/29/41/1080492941.db2.gz TUPXLJZOOPRPTL-UHFFFAOYSA-N 1 1 408.458 2.548 20 0 HFADMO O=C(COC(=O)c1ccc(OC(F)F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000807311310 1080506134 /nfs/dbraw/zinc/50/61/34/1080506134.db2.gz JXSKFGHAVPJGCQ-UHFFFAOYSA-N 1 1 404.413 2.789 20 0 HFADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)[C@H](C)C1 ZINC000807318240 1080511200 /nfs/dbraw/zinc/51/12/00/1080511200.db2.gz HZOGJMVKSASCLY-QGZVFWFLSA-N 1 1 409.486 2.535 20 0 HFADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)[C@H](C)C1 ZINC000807318240 1080511204 /nfs/dbraw/zinc/51/12/04/1080511204.db2.gz HZOGJMVKSASCLY-QGZVFWFLSA-N 1 1 409.486 2.535 20 0 HFADMO COC(=O)Nc1cccc(CNC(=O)C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)c1 ZINC000807364364 1080539837 /nfs/dbraw/zinc/53/98/37/1080539837.db2.gz JLLHVPYGJUKJFM-UHFFFAOYSA-N 1 1 418.881 2.835 20 0 HFADMO CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000807394366 1080560584 /nfs/dbraw/zinc/56/05/84/1080560584.db2.gz KONQXRIBQKACTQ-INIZCTEOSA-N 1 1 408.493 2.884 20 0 HFADMO C[C@H](CNC(=O)c1ccccc1CSC1=NCCS1)CN1CC[NH+](C)CC1 ZINC000747394615 1080570097 /nfs/dbraw/zinc/57/00/97/1080570097.db2.gz VGYKMBYSUPBXQO-MRXNPFEDSA-N 1 1 406.621 2.636 20 0 HFADMO C[C@H]1CCN(C(=O)C(=O)NCC[C@](C)(O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000807496493 1080692630 /nfs/dbraw/zinc/69/26/30/1080692630.db2.gz KTLVFBUWEFVYIF-CPJSRVTESA-N 1 1 423.557 2.523 20 0 HFADMO CCN(C(=O)C(=O)NCC[C@](C)(O)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000807502144 1080699985 /nfs/dbraw/zinc/69/99/85/1080699985.db2.gz ZEGATIFBBOVFON-DHLKQENFSA-N 1 1 423.557 2.523 20 0 HFADMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 ZINC000807513472 1080720373 /nfs/dbraw/zinc/72/03/73/1080720373.db2.gz CHZAJJJDCAYGSF-JPYJTQIMSA-N 1 1 412.534 2.792 20 0 HFADMO C[C@H]1[C@H](NC(=O)C(=O)Nc2cccc(C(F)(F)F)n2)CC[N@H+]1Cc1ccccc1 ZINC000807543305 1080758177 /nfs/dbraw/zinc/75/81/77/1080758177.db2.gz FINOVWVNOVGCGZ-DZGCQCFKSA-N 1 1 406.408 2.818 20 0 HFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000807547092 1080763470 /nfs/dbraw/zinc/76/34/70/1080763470.db2.gz XBNNWQBTNHFTAA-IPHXSNPTSA-N 1 1 411.933 2.560 20 0 HFADMO COC[C@]1(CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CCCN1C(=O)OC(C)(C)C ZINC000807550594 1080767768 /nfs/dbraw/zinc/76/77/68/1080767768.db2.gz IHJIWWUPEFBBMS-LLGFUMIMSA-N 1 1 412.575 2.527 20 0 HFADMO CN(OCc1ccccc1)C(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000807582526 1080793514 /nfs/dbraw/zinc/79/35/14/1080793514.db2.gz ORIFYPLNVACHLS-IEBWSBKVSA-N 1 1 401.532 2.837 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000807561240 1080816109 /nfs/dbraw/zinc/81/61/09/1080816109.db2.gz YWWKSYNOGKAJIQ-SJORKVTESA-N 1 1 414.937 2.781 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000807561240 1080816122 /nfs/dbraw/zinc/81/61/22/1080816122.db2.gz YWWKSYNOGKAJIQ-SJORKVTESA-N 1 1 414.937 2.781 20 0 HFADMO CCO[C@H](C)c1noc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC001196105374 1126153499 /nfs/dbraw/zinc/15/34/99/1126153499.db2.gz VJEYPRJJPAJGAN-XIKOKIGWSA-N 1 1 410.312 2.939 20 0 HFADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3CC(F)(F)[C@@H]3C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164406901 718870139 /nfs/dbraw/zinc/87/01/39/718870139.db2.gz HTVWLGQATHEFFB-HLLBOEOZSA-N 1 1 422.520 2.972 20 0 HFADMO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)CC1 ZINC001164619663 719020768 /nfs/dbraw/zinc/02/07/68/719020768.db2.gz WPGNTDWHNPAQNS-UHFFFAOYSA-N 1 1 401.555 2.629 20 0 HFADMO CS(=O)(=O)c1nc(Cl)cc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164626950 719052448 /nfs/dbraw/zinc/05/24/48/719052448.db2.gz SJYVWJFCLPDACA-HZPDHXFCSA-N 1 1 406.939 2.634 20 0 HFADMO CCc1cc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc(N2CCOCC2)n1 ZINC001164627354 719087604 /nfs/dbraw/zinc/08/76/04/719087604.db2.gz JWMYVLMFORBUAT-UNMCSNQZSA-N 1 1 407.562 2.976 20 0 HFADMO O=C1CCC(=O)N1Cc1ccc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001164628063 719087773 /nfs/dbraw/zinc/08/77/73/719087773.db2.gz LXSFOKQQBXDTOT-LEWJYISDSA-N 1 1 404.514 2.831 20 0 HFADMO CC(C)NS(=O)(=O)c1ccc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001164627918 719097208 /nfs/dbraw/zinc/09/72/08/719097208.db2.gz LEHKDDITCCAOKN-PZJWPPBQSA-N 1 1 414.575 2.869 20 0 HFADMO CCOC(=O)c1cnc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c(OC)c1 ZINC001164647338 719313118 /nfs/dbraw/zinc/31/31/18/719313118.db2.gz AKYYIINDZMICFK-UHFFFAOYSA-N 1 1 401.511 2.669 20 0 HFADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1nc3[nH]cnc3c(Cl)n1)CC2 ZINC001164651263 719315467 /nfs/dbraw/zinc/31/54/67/719315467.db2.gz ISOJBKHYQBPFJB-UHFFFAOYSA-N 1 1 424.887 2.905 20 0 HFADMO C[N@H+]1CCO[C@H]2CN(c3nc(-c4ccccn4)c(-c4ccccn4)nc3Cl)C[C@H]21 ZINC001164665760 719484374 /nfs/dbraw/zinc/48/43/74/719484374.db2.gz BHADVBLSQYSDJZ-SJORKVTESA-N 1 1 408.893 2.773 20 0 HFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)nc1 ZINC001164692423 719801434 /nfs/dbraw/zinc/80/14/34/719801434.db2.gz OHKDXAITPLZRTE-NJYVYQBISA-N 1 1 408.550 2.903 20 0 HFADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)c2ccc(F)cc21 ZINC001164707790 719874575 /nfs/dbraw/zinc/87/45/75/719874575.db2.gz VKUSAEZOKRKHLW-XOBRGWDASA-N 1 1 422.888 2.655 20 0 HFADMO NC(=S)Nc1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1 ZINC001164705339 719899947 /nfs/dbraw/zinc/89/99/47/719899947.db2.gz AGCMDUIHGMBEIS-UHFFFAOYSA-N 1 1 403.577 2.670 20 0 HFADMO Cc1noc([C@]23COC[C@H]2CN(c2ccc4c(n2)CC[N@H+](Cc2ccccc2)C4)C3)n1 ZINC001164807746 720055937 /nfs/dbraw/zinc/05/59/37/720055937.db2.gz WRURMDWTGFKGBY-HYBUGGRVSA-N 1 1 417.513 2.736 20 0 HFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(C(=O)OC)ccc31)C2 ZINC001164806332 720082652 /nfs/dbraw/zinc/08/26/52/720082652.db2.gz BNWTWCYKRZUHBS-MBSDFSHPSA-N 1 1 410.518 2.601 20 0 HFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cccnc31)CC2 ZINC001164712036 720101421 /nfs/dbraw/zinc/10/14/21/720101421.db2.gz ULNCQFNMCVWOLD-IBGZPJMESA-N 1 1 404.518 2.927 20 0 HFADMO CCOC(=O)c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)cc1OCC ZINC001164813927 720113928 /nfs/dbraw/zinc/11/39/28/720113928.db2.gz RRNXKOGYRBODPO-MBSDFSHPSA-N 1 1 417.550 2.842 20 0 HFADMO CCOC(=O)c1ccc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)c2c1 ZINC001164815397 720116283 /nfs/dbraw/zinc/11/62/83/720116283.db2.gz VENAHILOLFWRBF-CYFREDJKSA-N 1 1 424.545 2.991 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(C(=O)NC(C)(C)C)cn1)C2 ZINC001164810050 720117275 /nfs/dbraw/zinc/11/72/75/720117275.db2.gz JIHCVVRZMUAMKH-XXBNENTESA-N 1 1 400.567 2.795 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1nc(C)n3C)C2 ZINC001164819435 720160415 /nfs/dbraw/zinc/16/04/15/720160415.db2.gz XBBPTUAKNKDTFL-QRWLVFNGSA-N 1 1 404.946 2.510 20 0 HFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)C2 ZINC001164815457 720201878 /nfs/dbraw/zinc/20/18/78/720201878.db2.gz ZPWFJMODFSQJJP-AEFFLSMTSA-N 1 1 401.885 2.703 20 0 HFADMO CCOc1ccc(Cl)nc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164812090 720226761 /nfs/dbraw/zinc/22/67/61/720226761.db2.gz CZFODSVFLPFIKM-UHFFFAOYSA-N 1 1 405.930 2.941 20 0 HFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4c(C)ccc(F)c4cc3C)C2)C1 ZINC001164719975 720264962 /nfs/dbraw/zinc/26/49/62/720264962.db2.gz QDGPIXGGIXAYSP-QHCPKHFHSA-N 1 1 414.525 2.656 20 0 HFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc4c(C)ccc(F)c4cc3C)C2)C1 ZINC001164719975 720264974 /nfs/dbraw/zinc/26/49/74/720264974.db2.gz QDGPIXGGIXAYSP-QHCPKHFHSA-N 1 1 414.525 2.656 20 0 HFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncccc3C(=O)N3CCCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840615 720507046 /nfs/dbraw/zinc/50/70/46/720507046.db2.gz WWOPXMGMPDEXAU-JAXLGGSGSA-N 1 1 422.577 2.892 20 0 HFADMO COC(=O)c1cc(F)c(C)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164841461 720545300 /nfs/dbraw/zinc/54/53/00/720545300.db2.gz VYKRDUSTAPSBJK-SQGPQFPESA-N 1 1 415.513 2.890 20 0 HFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(C(N)=O)cc4ccccc43)CC[C@@H]21 ZINC001164842216 720616411 /nfs/dbraw/zinc/61/64/11/720616411.db2.gz UQFOKAWQCCKYCH-IPJJNNNSSA-N 1 1 418.545 2.908 20 0 HFADMO CSc1nc2sccc2c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740849 720630620 /nfs/dbraw/zinc/63/06/20/720630620.db2.gz JLBZXRNZNMAZCP-STQMWFEESA-N 1 1 400.533 2.545 20 0 HFADMO Fc1cc2nc(Cl)c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2cc1F ZINC001164737769 720675356 /nfs/dbraw/zinc/67/53/56/720675356.db2.gz GWOLGSYQEWKKBH-RYUDHWBXSA-N 1 1 418.835 2.693 20 0 HFADMO COc1nc(Cl)nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164837595 720676267 /nfs/dbraw/zinc/67/62/67/720676267.db2.gz DGDLXQPZNJBLJA-MRXNPFEDSA-N 1 1 403.914 2.794 20 0 HFADMO Fc1cccc2c1nc(Cl)nc2N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164736789 720682861 /nfs/dbraw/zinc/68/28/61/720682861.db2.gz BGFATUYBOORDRX-STQMWFEESA-N 1 1 400.845 2.554 20 0 HFADMO Fc1cccc2c1nc(Cl)nc2N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164736783 720682919 /nfs/dbraw/zinc/68/29/19/720682919.db2.gz BGFATUYBOORDRX-CHWSQXEVSA-N 1 1 400.845 2.554 20 0 HFADMO Fc1cccc(Oc2ccnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)c1 ZINC001164743396 720742753 /nfs/dbraw/zinc/74/27/53/720742753.db2.gz PUVJDUXGSVDJIL-WMZOPIPTSA-N 1 1 408.437 2.540 20 0 HFADMO Cc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1C ZINC001164745965 720808967 /nfs/dbraw/zinc/80/89/67/720808967.db2.gz LASKTHTUQCBCJA-FGTMMUONSA-N 1 1 401.946 2.718 20 0 HFADMO Cc1nc2ccsc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164750061 720809516 /nfs/dbraw/zinc/80/95/16/720809516.db2.gz VBZCJCANBGSZOO-ZIFCJYIRSA-N 1 1 409.563 2.971 20 0 HFADMO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(C)c1 ZINC001164738147 720820715 /nfs/dbraw/zinc/82/07/15/720820715.db2.gz DUBKTSAVQMNNGB-QHAWAJNXSA-N 1 1 424.549 2.538 20 0 HFADMO CSc1nc(Cl)ncc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745114 720828293 /nfs/dbraw/zinc/82/82/93/720828293.db2.gz WJYIZRZOWIPBED-ARFHVFGLSA-N 1 1 419.986 2.823 20 0 HFADMO F[C@H](Oc1cccc(Cl)n1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737667 720828839 /nfs/dbraw/zinc/82/88/39/720828839.db2.gz BLYKSKQJKSHMRO-VIPLHTEESA-N 1 1 420.920 2.833 20 0 HFADMO F[C@H](Oc1cccc(Cl)n1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737668 720829143 /nfs/dbraw/zinc/82/91/43/720829143.db2.gz BLYKSKQJKSHMRO-XLSPSMHOSA-N 1 1 420.920 2.833 20 0 HFADMO 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CSc1cnc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164740437 720843750 /nfs/dbraw/zinc/84/37/50/720843750.db2.gz BSKJUYXIIKQNOE-HRCADAONSA-N 1 1 419.986 2.823 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3nc4cc(F)c(F)cc4nc3Cl)CC[C@@H]2C1 ZINC001164850953 720849591 /nfs/dbraw/zinc/84/95/91/720849591.db2.gz FWIJHAKSUFHGHY-PXAZEXFGSA-N 1 1 412.868 2.735 20 0 HFADMO CC(C)OC(=O)c1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747178 720856577 /nfs/dbraw/zinc/85/65/77/720856577.db2.gz IAUHRGKEOTWVGM-SVFBPWRDSA-N 1 1 424.549 2.618 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4c3ccn4Cc3ccccc3)CC[C@@H]2C1 ZINC001164858204 720860160 /nfs/dbraw/zinc/86/01/60/720860160.db2.gz RQBOFLPMKHNEAQ-IFMALSPDSA-N 1 1 421.545 2.653 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)ccc3CN3CCCC3)CC[C@H]2C1 ZINC001164855473 720860948 /nfs/dbraw/zinc/86/09/48/720860948.db2.gz MWMWDWKFOKBZRV-PKOBYXMFSA-N 1 1 408.974 2.504 20 0 HFADMO COc1nccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747992 720869086 /nfs/dbraw/zinc/86/90/86/720869086.db2.gz DBRMCJXILQBGEK-OFNKIYASSA-N 1 1 409.534 2.635 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c(Cl)nccc43)CC[C@@H]2C1 ZINC001164859989 720872978 /nfs/dbraw/zinc/87/29/78/720872978.db2.gz NUDLUBPMYQQOQG-TZMCWYRMSA-N 1 1 412.321 2.505 20 0 HFADMO COc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164752206 720873446 /nfs/dbraw/zinc/87/34/46/720873446.db2.gz MACFQAODVGTOEK-REWPJTCUSA-N 1 1 409.534 2.635 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4cccnc4)nc4ccccc43)CC[C@H]2C1 ZINC001164861274 720874344 /nfs/dbraw/zinc/87/43/44/720874344.db2.gz PLCXCEILPIRTDY-SIKLNZKXSA-N 1 1 419.529 2.865 20 0 HFADMO COc1cncnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749958 720880775 /nfs/dbraw/zinc/88/07/75/720880775.db2.gz IEHWEPJXVULDCA-REWPJTCUSA-N 1 1 409.534 2.635 20 0 HFADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncc(Cl)nc3-c3ccccc3)CC[C@H]2C1 ZINC001164860452 720881135 /nfs/dbraw/zinc/88/11/35/720881135.db2.gz ONSXUNMIEFICFJ-ZWKOTPCHSA-N 1 1 402.926 2.971 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3ncc(Cl)nc3-c3ccccc3)CC[C@@H]2C1 ZINC001164860438 720881186 /nfs/dbraw/zinc/88/11/86/720881186.db2.gz ONSXUNMIEFICFJ-MSOLQXFVSA-N 1 1 402.926 2.971 20 0 HFADMO COCC[N@H+]1CCO[C@H]2CN(c3ccc(-c4c(F)cccc4F)nn3)CC[C@@H]2C1 ZINC001164857623 720881286 /nfs/dbraw/zinc/88/12/86/720881286.db2.gz KCDNWITWBTVRLY-BEFAXECRSA-N 1 1 404.461 2.595 20 0 HFADMO Cc1nnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C ZINC001164753116 720930446 /nfs/dbraw/zinc/93/04/46/720930446.db2.gz PWDXVZKNRIESJZ-GMAHTHKFSA-N 1 1 408.550 2.639 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3CO[C@H](CNC(=O)N(C)C)[C@H]3C2)nc1 ZINC001164758295 721000576 /nfs/dbraw/zinc/00/05/76/721000576.db2.gz UWIPCZPGIMVKPH-PLACYPQZSA-N 1 1 415.582 2.741 20 0 HFADMO c1nc2n(c1CN(c1ccccn1)c1ncccc1CN1CCCC1)CC[NH2+]CC2 ZINC001164760832 721041463 /nfs/dbraw/zinc/04/14/63/721041463.db2.gz DTATYYBKICNFJI-UHFFFAOYSA-N 1 1 403.534 2.753 20 0 HFADMO O=C(c1cccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1)N1CCCCC1 ZINC001164869507 721049834 /nfs/dbraw/zinc/04/98/34/721049834.db2.gz TZZALWXPSYPRFP-LEWJYISDSA-N 1 1 421.545 2.582 20 0 HFADMO CC(C)(C)OC(=O)c1ccnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164867692 721056740 /nfs/dbraw/zinc/05/67/40/721056740.db2.gz JRMWYWQPXGLQJV-WOJBJXKFSA-N 1 1 410.518 2.912 20 0 HFADMO COc1cc2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2cc1OC ZINC001164865871 721061680 /nfs/dbraw/zinc/06/16/80/721061680.db2.gz BCWTZVORSFUOQS-MSOLQXFVSA-N 1 1 421.501 2.522 20 0 HFADMO Clc1nc2c(c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n1)CSC2 ZINC001164866241 721070203 /nfs/dbraw/zinc/07/02/03/721070203.db2.gz DALFYFWIGOTQKY-CABCVRRESA-N 1 1 403.939 2.752 20 0 HFADMO COc1cc2ncc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2cc1OC ZINC001164867375 721082098 /nfs/dbraw/zinc/08/20/98/721082098.db2.gz YEXIVFMABDLYHR-ZWKOTPCHSA-N 1 1 421.501 2.522 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncccc4C(=O)NC4CCCCC4)C[C@H]3C2)cn1 ZINC001164761070 721082802 /nfs/dbraw/zinc/08/28/02/721082802.db2.gz AOILROVWJLRRHZ-VQTJNVASSA-N 1 1 422.577 2.836 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4COC5(C)C)C[C@@H]3C2)cn1 ZINC001164768368 721102441 /nfs/dbraw/zinc/10/24/41/721102441.db2.gz NAPUBYFOEYHQNP-GJZGRUSLSA-N 1 1 402.930 2.587 20 0 HFADMO Nc1cc(Cl)nc(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164866007 721102733 /nfs/dbraw/zinc/10/27/33/721102733.db2.gz RADXAHJNYAUUOS-HOTGVXAUSA-N 1 1 409.868 2.737 20 0 HFADMO CCOC(=O)/C=C/c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164865315 721111720 /nfs/dbraw/zinc/11/17/20/721111720.db2.gz JUWLWMSNFHZUPF-KSFASEQNSA-N 1 1 408.502 2.533 20 0 HFADMO COC(=O)c1ccc2ccnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164764822 721114101 /nfs/dbraw/zinc/11/41/01/721114101.db2.gz IBXVCDASRWVIQM-VQTJNVASSA-N 1 1 405.502 2.713 20 0 HFADMO CSc1nc2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2s1 ZINC001164863337 721115631 /nfs/dbraw/zinc/11/56/31/721115631.db2.gz BZHHWAQQQIXZSI-CABCVRRESA-N 1 1 414.560 2.683 20 0 HFADMO CSc1nc2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2s1 ZINC001164863339 721116191 /nfs/dbraw/zinc/11/61/91/721116191.db2.gz BZHHWAQQQIXZSI-GJZGRUSLSA-N 1 1 414.560 2.683 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nccc(OCc5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164767327 721129777 /nfs/dbraw/zinc/12/97/77/721129777.db2.gz MUGBWITZOWFZDB-LEWJYISDSA-N 1 1 404.518 2.747 20 0 HFADMO COC(=O)c1ccc2cc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)ncc2c1 ZINC001164871107 721134300 /nfs/dbraw/zinc/13/43/00/721134300.db2.gz DRHYUMSDOHWOBO-VXKWHMMOSA-N 1 1 418.497 2.896 20 0 HFADMO COc1cccc2nc(Cl)nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c21 ZINC001164761660 721147249 /nfs/dbraw/zinc/14/72/49/721147249.db2.gz ACUAETIEKLXFAS-HOTGVXAUSA-N 1 1 412.925 2.984 20 0 HFADMO COc1ccc(C(F)(F)N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1Cl ZINC001164773720 721151773 /nfs/dbraw/zinc/15/17/73/721151773.db2.gz YUXFDCKEWWSVSA-CABCVRRESA-N 1 1 411.884 2.980 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(OCc5ccccc5)cnn4)C[C@@H]3C2)cn1 ZINC001164772741 721154453 /nfs/dbraw/zinc/15/44/53/721154453.db2.gz VUWZKHWESJMAPM-SFTDATJTSA-N 1 1 404.518 2.747 20 0 HFADMO COc1cc2ccc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)nc2cc1OC ZINC001164763453 721156057 /nfs/dbraw/zinc/15/60/57/721156057.db2.gz GBQPUVBUEDHUGR-OALUTQOASA-N 1 1 407.518 2.944 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)nc(=S)[nH]4)C[C@H]3C2)cn1 ZINC001164766009 721178561 /nfs/dbraw/zinc/17/85/61/721178561.db2.gz IUKGPASBKWWIQU-QWHCGFSZSA-N 1 1 414.913 2.655 20 0 HFADMO COc1ccc(-c2ccc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nn2)cc1 ZINC001164762000 721194044 /nfs/dbraw/zinc/19/40/44/721194044.db2.gz BQMJJUMUGOMARE-VQTJNVASSA-N 1 1 404.518 2.844 20 0 HFADMO COc1cccc(-c2ccc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nn2)c1 ZINC001164770855 721202312 /nfs/dbraw/zinc/20/23/12/721202312.db2.gz OXKNBECRBASROB-UXHICEINSA-N 1 1 404.518 2.844 20 0 HFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4c5c(nnc4Cl)CCC5)C[C@@H]3C2)cn1 ZINC001164764277 721206303 /nfs/dbraw/zinc/20/63/03/721206303.db2.gz GZUNHKRVABYRLR-CABCVRRESA-N 1 1 422.911 2.855 20 0 HFADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@]2(C1)C[C@@H](NC(=O)c1cnccn1)CCO2 ZINC001164870749 721217290 /nfs/dbraw/zinc/21/72/90/721217290.db2.gz HNSJMAIKESICEZ-HRAATJIYSA-N 1 1 415.925 2.814 20 0 HFADMO Cc1nc(-c2ccccn2)nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1C ZINC001164774445 721219488 /nfs/dbraw/zinc/21/94/88/721219488.db2.gz ZKIOKTLLPMFHAF-PMACEKPBSA-N 1 1 403.534 2.847 20 0 HFADMO Cc1nc(-c2ccccn2)nc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1C ZINC001164774448 721223143 /nfs/dbraw/zinc/22/31/43/721223143.db2.gz ZKIOKTLLPMFHAF-UXHICEINSA-N 1 1 403.534 2.847 20 0 HFADMO CCCSc1ncnc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1OC ZINC001164760286 721242107 /nfs/dbraw/zinc/24/21/07/721242107.db2.gz DGBCEXYFPIUMFN-IAGOWNOFSA-N 1 1 402.568 2.679 20 0 HFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc4cccc(Cl)c4n3)CC2)C1 ZINC001164869352 721269421 /nfs/dbraw/zinc/26/94/21/721269421.db2.gz LISNOOIXPLRCKI-UHFFFAOYSA-N 1 1 416.953 2.895 20 0 HFADMO CC[C@@H]1C(=O)Nc2cnc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)nc2N1C1CCCC1 ZINC001164774007 721288102 /nfs/dbraw/zinc/28/81/02/721288102.db2.gz VMAGKKKNZZDUDR-LJQANCHMSA-N 1 1 410.566 2.878 20 0 HFADMO CCN(C)c1ccnc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164778839 721330252 /nfs/dbraw/zinc/33/02/52/721330252.db2.gz ZCQUUTPXYCQLKZ-QFIPXVFZSA-N 1 1 414.554 2.657 20 0 HFADMO CCN(C)c1ccnc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164778839 721330257 /nfs/dbraw/zinc/33/02/57/721330257.db2.gz ZCQUUTPXYCQLKZ-QFIPXVFZSA-N 1 1 414.554 2.657 20 0 HFADMO CSc1nccc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164778454 721332836 /nfs/dbraw/zinc/33/28/36/721332836.db2.gz XCYWDOXXGNXSBQ-FQEVSTJZSA-N 1 1 403.552 2.922 20 0 HFADMO CSc1nccc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164778454 721332840 /nfs/dbraw/zinc/33/28/40/721332840.db2.gz XCYWDOXXGNXSBQ-FQEVSTJZSA-N 1 1 403.552 2.922 20 0 HFADMO Cc1cc2c(ncnc2N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)[nH]1 ZINC001164776679 721343766 /nfs/dbraw/zinc/34/37/66/721343766.db2.gz CBKJLFXMULDSOD-QFIPXVFZSA-N 1 1 410.522 2.990 20 0 HFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)ncc4Cl)C3)O2)CC1 ZINC001164888508 721384806 /nfs/dbraw/zinc/38/48/06/721384806.db2.gz JPXUIZBMLTUWMW-KDOFPFPSSA-N 1 1 400.354 2.549 20 0 HFADMO FC(F)(COc1cncc(Cl)n1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164790984 721428891 /nfs/dbraw/zinc/42/88/91/721428891.db2.gz YVUGSXWBWFYIMS-TXEJJXNPSA-N 1 1 401.870 2.622 20 0 HFADMO FC(F)(COc1cncc(Cl)n1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164790984 721428894 /nfs/dbraw/zinc/42/88/94/721428894.db2.gz YVUGSXWBWFYIMS-TXEJJXNPSA-N 1 1 401.870 2.622 20 0 HFADMO Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(-c2ccco2)n1 ZINC001164895810 721440577 /nfs/dbraw/zinc/44/05/77/721440577.db2.gz PXOMHAVFJQMFIA-WMZHIEFXSA-N 1 1 411.550 2.810 20 0 HFADMO Cc1ccc(-c2ccc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nn2)o1 ZINC001164889580 721441550 /nfs/dbraw/zinc/44/15/50/721441550.db2.gz BXAGXWVODVBQMA-AUSIDOKSSA-N 1 1 411.550 2.810 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccnc(SC)n1)CC2 ZINC001164783282 721450727 /nfs/dbraw/zinc/45/07/27/721450727.db2.gz BECDFJKHBSBDBJ-SFHVURJKSA-N 1 1 406.596 2.932 20 0 HFADMO CCc1nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c(Cl)nc1C ZINC001164886557 721452020 /nfs/dbraw/zinc/45/20/20/721452020.db2.gz HHGYERHFAZIJAC-LAUBAEHRSA-N 1 1 407.990 2.766 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(OCOC)cn1)CC2 ZINC001164787790 721460319 /nfs/dbraw/zinc/46/03/19/721460319.db2.gz SJHCLPSLDXMNTB-FQEVSTJZSA-N 1 1 419.566 2.798 20 0 HFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nnc3ccccc3n1)CC2 ZINC001164787168 721468671 /nfs/dbraw/zinc/46/86/71/721468671.db2.gz CWPRYGMFMRFIEZ-IBGZPJMESA-N 1 1 411.550 2.759 20 0 HFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)nc1 ZINC001164894318 721484705 /nfs/dbraw/zinc/48/47/05/721484705.db2.gz HHBOKVJNVTZUDA-LGVFNWMJSA-N 1 1 412.578 2.998 20 0 HFADMO CCOC(=O)c1cnc(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900112 721511136 /nfs/dbraw/zinc/51/11/36/721511136.db2.gz OFVGJCWIIXBDCF-GDBMZVCRSA-N 1 1 420.872 2.788 20 0 HFADMO COC(=O)c1ccc2ncnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1 ZINC001164899676 721518140 /nfs/dbraw/zinc/51/81/40/721518140.db2.gz LOZYZHJQHJHCRF-PKOBYXMFSA-N 1 1 422.460 2.897 20 0 HFADMO COC(=O)c1cc(Cl)cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164799856 721530164 /nfs/dbraw/zinc/53/01/64/721530164.db2.gz BIEXOZOERQCRPC-CEXWTWQISA-N 1 1 416.909 2.785 20 0 HFADMO COC(=O)c1cc(Cl)cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164799856 721530166 /nfs/dbraw/zinc/53/01/66/721530166.db2.gz BIEXOZOERQCRPC-CEXWTWQISA-N 1 1 416.909 2.785 20 0 HFADMO O=c1cc2[nH]c(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c(Cl)cc-2[nH]1 ZINC001164905188 721536860 /nfs/dbraw/zinc/53/68/60/721536860.db2.gz GJQWQAOVPVMOLS-DZGCQCFKSA-N 1 1 402.857 2.711 20 0 HFADMO COc1ccc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2c1 ZINC001164804593 721539272 /nfs/dbraw/zinc/53/92/72/721539272.db2.gz KQADMQPHTUAHJX-FDFHNCONSA-N 1 1 405.502 2.902 20 0 HFADMO CCOc1ccc(C(=O)OC)c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164911024 721540049 /nfs/dbraw/zinc/54/00/49/721540049.db2.gz VEMMPUYVCFQIHM-FUHWJXTLSA-N 1 1 415.465 2.748 20 0 HFADMO CC(C)(C)OC(=O)c1ccnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164903419 721540546 /nfs/dbraw/zinc/54/05/46/721540546.db2.gz CLEWJYVAGMOJGQ-FUHWJXTLSA-N 1 1 414.481 2.913 20 0 HFADMO CCOc1nc(Cl)cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164807840 721544073 /nfs/dbraw/zinc/54/40/73/721544073.db2.gz RNIYIMDVCLITSU-TXPKVOOTSA-N 1 1 403.914 2.792 20 0 HFADMO CCOc1nc(Cl)cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164807840 721544074 /nfs/dbraw/zinc/54/40/74/721544074.db2.gz RNIYIMDVCLITSU-TXPKVOOTSA-N 1 1 403.914 2.792 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3c2C(=O)OC3(C)C)[C@@H]2CCCO[C@H]12 ZINC001164809041 721548711 /nfs/dbraw/zinc/54/87/11/721548711.db2.gz UIEUUGILYLNCPQ-GGPKGHCWSA-N 1 1 408.502 2.750 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3c2C(=O)OC3(C)C)[C@@H]2CCCO[C@H]12 ZINC001164809041 721548714 /nfs/dbraw/zinc/54/87/14/721548714.db2.gz UIEUUGILYLNCPQ-GGPKGHCWSA-N 1 1 408.502 2.750 20 0 HFADMO COC(=O)c1cc2c[nH]c(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)cc-2n1 ZINC001164910375 721548720 /nfs/dbraw/zinc/54/87/20/721548720.db2.gz UMIMVTYCHPVIJD-SJLPKXTDSA-N 1 1 410.449 2.831 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ncccc3nc2Cl)[C@H]2CCCO[C@H]12 ZINC001164804543 721552634 /nfs/dbraw/zinc/55/26/34/721552634.db2.gz KFRASMZCAUYBMK-KSZLIROESA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ncccc3nc2Cl)[C@H]2CCCO[C@H]12 ZINC001164804543 721552637 /nfs/dbraw/zinc/55/26/37/721552637.db2.gz KFRASMZCAUYBMK-KSZLIROESA-N 1 1 410.909 2.941 20 0 HFADMO COc1nc(Cl)nc(C)c1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164810611 721554383 /nfs/dbraw/zinc/55/43/83/721554383.db2.gz ZJGTZTZTNBXSNV-XYJFISCASA-N 1 1 403.914 2.710 20 0 HFADMO COc1nc(Cl)nc(C)c1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164810611 721554388 /nfs/dbraw/zinc/55/43/88/721554388.db2.gz ZJGTZTZTNBXSNV-XYJFISCASA-N 1 1 403.914 2.710 20 0 HFADMO CCOc1c(Cl)ncnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164804028 721558940 /nfs/dbraw/zinc/55/89/40/721558940.db2.gz KULTVFKERFJLEG-IKGGRYGDSA-N 1 1 403.914 2.792 20 0 HFADMO CCOc1c(Cl)ncnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164804028 721558942 /nfs/dbraw/zinc/55/89/42/721558942.db2.gz KULTVFKERFJLEG-IKGGRYGDSA-N 1 1 403.914 2.792 20 0 HFADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc(N5CCSCC5)ncn4)CC[N@H+]3C2)c1 ZINC001164903103 721560984 /nfs/dbraw/zinc/56/09/84/721560984.db2.gz AKRFZPWFIFPNBI-PKOBYXMFSA-N 1 1 415.538 2.511 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(Cl)cnc32)[C@H]2CCCO[C@@H]12 ZINC001164810564 721561561 /nfs/dbraw/zinc/56/15/61/721561561.db2.gz YTMRBBGVPLMQAA-NLWGTHIKSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(Cl)cnc32)[C@H]2CCCO[C@@H]12 ZINC001164810564 721561563 /nfs/dbraw/zinc/56/15/63/721561563.db2.gz YTMRBBGVPLMQAA-NLWGTHIKSA-N 1 1 410.909 2.941 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cncc(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164805832 721569893 /nfs/dbraw/zinc/56/98/93/721569893.db2.gz PAPUELNOZCYFMP-HDMKZQKVSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cncc(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164805832 721569898 /nfs/dbraw/zinc/56/98/98/721569898.db2.gz PAPUELNOZCYFMP-HDMKZQKVSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nccnc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164805437 721572939 /nfs/dbraw/zinc/57/29/39/721572939.db2.gz NXNFRDZBDOGZPG-ARFHVFGLSA-N 1 1 409.868 2.938 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nccnc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164805437 721572942 /nfs/dbraw/zinc/57/29/42/721572942.db2.gz NXNFRDZBDOGZPG-ARFHVFGLSA-N 1 1 409.868 2.938 20 0 HFADMO CC(C)n1cnc2cnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc21 ZINC001164800061 721578634 /nfs/dbraw/zinc/57/86/34/721578634.db2.gz BNTSUCSCNROQLE-AABGKKOBSA-N 1 1 407.522 2.670 20 0 HFADMO CC(C)n1cnc2cnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc21 ZINC001164800061 721578637 /nfs/dbraw/zinc/57/86/37/721578637.db2.gz BNTSUCSCNROQLE-AABGKKOBSA-N 1 1 407.522 2.670 20 0 HFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc(-c3cccc(F)c3)n2)[C@H]2CCCO[C@H]12 ZINC001164810775 721582169 /nfs/dbraw/zinc/58/21/69/721582169.db2.gz WDZWBYSKSQPMOW-HBMCJLEFSA-N 1 1 420.492 2.941 20 0 HFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc(-c3cccc(F)c3)n2)[C@H]2CCCO[C@H]12 ZINC001164810775 721582170 /nfs/dbraw/zinc/58/21/70/721582170.db2.gz WDZWBYSKSQPMOW-HBMCJLEFSA-N 1 1 420.492 2.941 20 0 HFADMO CN(Cc1cccnc1)[C@H]1CN(c2ccc(C[N@H+](C)C3CC3)cn2)[C@H]2CCCO[C@H]12 ZINC001164812236 721582760 /nfs/dbraw/zinc/58/27/60/721582760.db2.gz ZRBSUOZLEQKNED-FIXSFTCYSA-N 1 1 407.562 2.939 20 0 HFADMO CN(Cc1cccnc1)[C@H]1CN(c2ccc(C[N@@H+](C)C3CC3)cn2)[C@H]2CCCO[C@H]12 ZINC001164812236 721582761 /nfs/dbraw/zinc/58/27/61/721582761.db2.gz ZRBSUOZLEQKNED-FIXSFTCYSA-N 1 1 407.562 2.939 20 0 HFADMO NC(=O)c1nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ccc1Cl ZINC001164905531 721586129 /nfs/dbraw/zinc/58/61/29/721586129.db2.gz JRFDMJZDYNNWIN-LJQANCHMSA-N 1 1 421.879 2.967 20 0 HFADMO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3CNCC4)C[C@@H]21 ZINC001165021370 721800042 /nfs/dbraw/zinc/80/00/42/721800042.db2.gz GNZMRADCHFOSQD-ZAAXVRCTSA-N 1 1 412.969 2.908 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3CNCC4)C[C@@H]21 ZINC001165021370 721800044 /nfs/dbraw/zinc/80/00/44/721800044.db2.gz GNZMRADCHFOSQD-ZAAXVRCTSA-N 1 1 412.969 2.908 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3S(C)(=O)=O)C[C@@H]21 ZINC001165021293 721807118 /nfs/dbraw/zinc/80/71/18/721807118.db2.gz GCSLBNSXEYPKFC-NZSAHSFTSA-N 1 1 400.548 2.617 20 0 HFADMO CCOC(=O)Cc1ccc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nn1 ZINC001165024117 721819131 /nfs/dbraw/zinc/81/91/31/721819131.db2.gz ISHAWFVKCQKQEA-WMQCIHAUSA-N 1 1 409.534 2.714 20 0 HFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C(N)=O)nc(C4CC4)n3)C[C@H]21 ZINC001165025774 721832269 /nfs/dbraw/zinc/83/22/69/721832269.db2.gz NXKNXDQIVRVROU-YVWKXTFCSA-N 1 1 406.534 2.585 20 0 HFADMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc(Oc2cccc(F)c2)n1 ZINC001164927974 721870990 /nfs/dbraw/zinc/87/09/90/721870990.db2.gz XQJJXJNLFUAKPJ-HOTGVXAUSA-N 1 1 406.893 2.671 20 0 HFADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc(Oc2cccc(F)c2)n1 ZINC001164927974 721870991 /nfs/dbraw/zinc/87/09/91/721870991.db2.gz XQJJXJNLFUAKPJ-HOTGVXAUSA-N 1 1 406.893 2.671 20 0 HFADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc5c(n4)OCC(=O)N5)CC3)C2)cc1 ZINC001164940537 721926051 /nfs/dbraw/zinc/92/60/51/721926051.db2.gz SSRKIJDFXZGLKT-UHFFFAOYSA-N 1 1 408.502 2.592 20 0 HFADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nccc5c4NC(=O)CO5)CC3)C2)cc1 ZINC001164938950 721926544 /nfs/dbraw/zinc/92/65/44/721926544.db2.gz CTBMZVUPXNJTMW-UHFFFAOYSA-N 1 1 408.502 2.592 20 0 HFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@H]3CN(S(C)(=O)=O)C[C@H]32)nc1 ZINC001164951997 721985914 /nfs/dbraw/zinc/98/59/14/721985914.db2.gz NYHOZFSWMNTYQA-VAMGGRTRSA-N 1 1 406.596 2.879 20 0 HFADMO CC(C)(C)C(=O)Nc1ccnc(N2CCn3cccc3C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001165052200 721991674 /nfs/dbraw/zinc/99/16/74/721991674.db2.gz UDSLIRYFERHLOR-KRWDZBQOSA-N 1 1 411.550 2.702 20 0 HFADMO CN(C)C(=O)N[C@H]1CCO[C@]2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C2)C1 ZINC001164954853 722009270 /nfs/dbraw/zinc/00/92/70/722009270.db2.gz PGNVTYILKDUNJX-LAUBAEHRSA-N 1 1 421.973 2.730 20 0 HFADMO c1ccc(CN2CCc3c(ncnc3N3CC[NH+](CCc4ccccn4)CC3)C2)cc1 ZINC001165054467 722011937 /nfs/dbraw/zinc/01/19/37/722011937.db2.gz YYKIVBJEKXITAC-UHFFFAOYSA-N 1 1 414.557 2.795 20 0 HFADMO COC(OC)c1c(CO)ccnc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955428 722020811 /nfs/dbraw/zinc/02/08/11/722020811.db2.gz GIAIIXOYELBJRJ-UHFFFAOYSA-N 1 1 412.534 2.753 20 0 HFADMO COC(=O)c1c(C)cc(C)nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963796 722055614 /nfs/dbraw/zinc/05/56/14/722055614.db2.gz LEXCPSXTYOZIBR-UHFFFAOYSA-N 1 1 424.545 2.999 20 0 HFADMO Fc1c[nH]c2nc(Cl)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164985142 722100109 /nfs/dbraw/zinc/10/01/09/722100109.db2.gz UZGXIQHWZSNECX-HOCLYGCPSA-N 1 1 416.888 2.873 20 0 HFADMO Clc1nc2cccnc2nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975812 722116786 /nfs/dbraw/zinc/11/67/86/722116786.db2.gz LBRAGVJMQYCOKJ-FUHWJXTLSA-N 1 1 410.909 2.801 20 0 HFADMO F[C@H](Oc1ccc(Cl)nc1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972482 722118629 /nfs/dbraw/zinc/11/86/29/722118629.db2.gz FRHWDUZJBQCDHZ-KPFFTGBYSA-N 1 1 406.889 2.985 20 0 HFADMO COc1nc(Cl)nc(C)c1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975775 722118639 /nfs/dbraw/zinc/11/86/39/722118639.db2.gz KYMMBIFXFWDEII-DLBZAZTESA-N 1 1 403.914 2.569 20 0 HFADMO COc1nc(Cl)nc(C)c1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975791 722118653 /nfs/dbraw/zinc/11/86/53/722118653.db2.gz KYMMBIFXFWDEII-IRXDYDNUSA-N 1 1 403.914 2.569 20 0 HFADMO Clc1nnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c2ncccc12 ZINC001164971946 722119271 /nfs/dbraw/zinc/11/92/71/722119271.db2.gz DZCHGSGLLWVXML-FUHWJXTLSA-N 1 1 410.909 2.801 20 0 HFADMO Clc1nc2ncsc2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983651 722119865 /nfs/dbraw/zinc/11/98/65/722119865.db2.gz YVJMQWOGZVFAHH-LSDHHAIUSA-N 1 1 416.938 2.862 20 0 HFADMO Clc1cnc2c(c1)ncnc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981985 722125775 /nfs/dbraw/zinc/12/57/75/722125775.db2.gz VLIBYTVZXMBPNS-LPHOPBHVSA-N 1 1 410.909 2.801 20 0 HFADMO CCOC(=O)c1c(C)cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1C ZINC001164971463 722125778 /nfs/dbraw/zinc/12/57/78/722125778.db2.gz COLHISKXBJMJKG-RTWAWAEBSA-N 1 1 424.545 2.997 20 0 HFADMO CCOC(=O)c1c(C)ccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984651 722132565 /nfs/dbraw/zinc/13/25/65/722132565.db2.gz YFWOFKIYGAJMTI-PMACEKPBSA-N 1 1 410.518 2.689 20 0 HFADMO COC(OC)c1cc(C)cnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980942 722134218 /nfs/dbraw/zinc/13/42/18/722134218.db2.gz NXSMBARUSYGQNQ-PZJWPPBQSA-N 1 1 412.534 2.804 20 0 HFADMO Cc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(-c2ccncc2)n1 ZINC001164983353 722138218 /nfs/dbraw/zinc/13/82/18/722138218.db2.gz UOUKDXIJGLQOKM-VXKWHMMOSA-N 1 1 416.529 2.969 20 0 HFADMO Cc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(-c2ccccn2)n1 ZINC001164980254 722139007 /nfs/dbraw/zinc/13/90/07/722139007.db2.gz MEKIFAMVGVJNQE-RBBKRZOGSA-N 1 1 416.529 2.969 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4cc(-c5ccncc5)ncn4)CC[C@H]3C2)c1 ZINC001164978897 722144466 /nfs/dbraw/zinc/14/44/66/722144466.db2.gz KLWYSJOTILGKRO-UNMCSNQZSA-N 1 1 402.502 2.661 20 0 HFADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ccc(-c5ccncc5)nn4)CC[C@H]3C2)c1 ZINC001164972540 722147699 /nfs/dbraw/zinc/14/76/99/722147699.db2.gz ABIUBDYOBKOPAU-RBBKRZOGSA-N 1 1 402.502 2.661 20 0 HFADMO CCOC[C@@H]1C(=O)N(CC)CC12CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)CC2 ZINC001164988265 722187760 /nfs/dbraw/zinc/18/77/60/722187760.db2.gz CYUZFCJJWBPIAY-HXUWFJFHSA-N 1 1 400.567 2.777 20 0 HFADMO C[C@H]1C(=O)Nc2cnc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc2N1C ZINC001164995983 722200281 /nfs/dbraw/zinc/20/02/81/722200281.db2.gz RBCJPGPJCYDADY-OYHNWAKOSA-N 1 1 410.497 2.637 20 0 HFADMO Cc1ccc2c(c1)nc(Cl)nc2N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164996341 722233854 /nfs/dbraw/zinc/23/38/54/722233854.db2.gz CGYJUAFFYQYXHE-UHFFFAOYSA-N 1 1 423.952 2.739 20 0 HFADMO Cc1cccc2nc(Cl)nc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c12 ZINC001164996290 722235839 /nfs/dbraw/zinc/23/58/39/722235839.db2.gz BAYWQROPNNYFPN-UHFFFAOYSA-N 1 1 423.952 2.739 20 0 HFADMO CC[C@H](C)c1nc2[nH]ccc2c(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001165006614 722240513 /nfs/dbraw/zinc/24/05/13/722240513.db2.gz ZZXPXAZEPPUOHD-INIZCTEOSA-N 1 1 420.565 2.618 20 0 HFADMO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001165006616 722240839 /nfs/dbraw/zinc/24/08/39/722240839.db2.gz ZZXPXAZEPPUOHD-MRXNPFEDSA-N 1 1 420.565 2.618 20 0 HFADMO C[NH+]1CCN(c2nccc(N3CC[C@H](OCC4CC4)[C@H]3Cc3ccccc3)n2)CC1 ZINC001165004556 722271924 /nfs/dbraw/zinc/27/19/24/722271924.db2.gz BLXXBSRBBHNLMX-YADHBBJMSA-N 1 1 407.562 2.845 20 0 HFADMO C[C@@H](CCNC(=O)C(=O)Nc1cccc(Br)n1)[N@@H+](C)Cc1ccccc1 ZINC000792997906 1078044619 /nfs/dbraw/zinc/04/46/19/1078044619.db2.gz NLJSFVXVKCRPLV-AWEZNQCLSA-N 1 1 419.323 2.809 20 0 HFADMO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(Br)n2)C[N@H+]1Cc1ccccc1 ZINC000793006944 1078046888 /nfs/dbraw/zinc/04/68/88/1078046888.db2.gz PAFSPZHAIWSKAL-HIFRSBDPSA-N 1 1 417.307 2.562 20 0 HFADMO Cc1ccc(NC(=O)[C@H]2CC(c3cccnc3)=NO2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000790521481 1078050067 /nfs/dbraw/zinc/05/00/67/1078050067.db2.gz ZQYYYOCMVDSWIJ-OAQYLSRUSA-N 1 1 421.501 2.946 20 0 HFADMO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000793045103 1078055081 /nfs/dbraw/zinc/05/50/81/1078055081.db2.gz LTKWNNYKDMJJQQ-VQTJNVASSA-N 1 1 402.539 2.819 20 0 HFADMO CC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000793045099 1078055171 /nfs/dbraw/zinc/05/51/71/1078055171.db2.gz LTKWNNYKDMJJQQ-PMACEKPBSA-N 1 1 402.539 2.819 20 0 HFADMO CC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000793045101 1078055237 /nfs/dbraw/zinc/05/52/37/1078055237.db2.gz LTKWNNYKDMJJQQ-UXHICEINSA-N 1 1 402.539 2.819 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cn1 ZINC000793084590 1078064236 /nfs/dbraw/zinc/06/42/36/1078064236.db2.gz BTAJLLSQJYNBSR-DYVFJYSZSA-N 1 1 408.289 2.557 20 0 HFADMO COCc1cnc(C[NH2+]Cc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)s1 ZINC000790605337 1078065488 /nfs/dbraw/zinc/06/54/88/1078065488.db2.gz CLCUFGFSTBNPMS-FQEVSTJZSA-N 1 1 400.504 2.804 20 0 HFADMO O=C(NCC[N@H+]1CCc2ccccc2C1)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000747101020 1078076281 /nfs/dbraw/zinc/07/62/81/1078076281.db2.gz CCSWDFMJCWOAFU-LJQANCHMSA-N 1 1 423.435 2.976 20 0 HFADMO CCc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CC(c4cccnc4)=NO3)CC2)cs1 ZINC000790622250 1078079601 /nfs/dbraw/zinc/07/96/01/1078079601.db2.gz HKHUQTFVDAIVAX-LJQANCHMSA-N 1 1 413.547 2.622 20 0 HFADMO O=C1C(=O)N(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c2cccc(Br)c21 ZINC000772829171 1078106439 /nfs/dbraw/zinc/10/64/39/1078106439.db2.gz RZKQOEMYYOEACY-BBRMVZONSA-N 1 1 418.335 2.885 20 0 HFADMO COC(=O)[C@@H]1C[N@H+](C)CCN1c1nc(-c2ccc(OC)cc2)nc2ccc(F)cc21 ZINC001157770724 1078126367 /nfs/dbraw/zinc/12/63/67/1078126367.db2.gz PTQULACDAFQUGR-IBGZPJMESA-N 1 1 410.449 2.738 20 0 HFADMO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1nc(-c2ccc(OC)cc2)nc2ccc(F)cc21 ZINC001157770724 1078126373 /nfs/dbraw/zinc/12/63/73/1078126373.db2.gz PTQULACDAFQUGR-IBGZPJMESA-N 1 1 410.449 2.738 20 0 HFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000793315385 1078134303 /nfs/dbraw/zinc/13/43/03/1078134303.db2.gz QWQJBNOZMREOBY-OTWHNJEPSA-N 1 1 422.614 2.649 20 0 HFADMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)C1 ZINC000793460377 1078179255 /nfs/dbraw/zinc/17/92/55/1078179255.db2.gz TYCSIBOXTANCDH-GOSISDBHSA-N 1 1 403.523 2.825 20 0 HFADMO Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000793470989 1078183237 /nfs/dbraw/zinc/18/32/37/1078183237.db2.gz BEXXYKLGZBDFHO-UHFFFAOYSA-N 1 1 418.538 2.624 20 0 HFADMO CN(C)C(=O)c1cccc(NC(=O)C[N@H+](C)C2(CNC(=O)OC(C)(C)C)CCC2)c1 ZINC001170434059 1078201467 /nfs/dbraw/zinc/20/14/67/1078201467.db2.gz DXTSTMFFQBJCGU-UHFFFAOYSA-N 1 1 418.538 2.706 20 0 HFADMO CN(C)C(=O)c1cccc(NC(=O)C[N@@H+](C)C2(CNC(=O)OC(C)(C)C)CCC2)c1 ZINC001170434059 1078201470 /nfs/dbraw/zinc/20/14/70/1078201470.db2.gz DXTSTMFFQBJCGU-UHFFFAOYSA-N 1 1 418.538 2.706 20 0 HFADMO COc1cc(C[N@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)c(Br)cn1 ZINC001170434053 1078201478 /nfs/dbraw/zinc/20/14/78/1078201478.db2.gz DVLHDOAYTSLIOP-INIZCTEOSA-N 1 1 421.339 2.982 20 0 HFADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)C[C@H]1C ZINC000793550297 1078208100 /nfs/dbraw/zinc/20/81/00/1078208100.db2.gz AGSDKFIBQDQJFX-UMSONDCASA-N 1 1 424.545 2.910 20 0 HFADMO CC(C)c1[nH+]ccn1CCNC(=O)c1csc(CCNC(=O)OC(C)(C)C)n1 ZINC000793502014 1078204087 /nfs/dbraw/zinc/20/40/87/1078204087.db2.gz UVTZMCOGRGRTIN-UHFFFAOYSA-N 1 1 407.540 2.960 20 0 HFADMO COc1cc(C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)cnc1Br ZINC000793503474 1078205009 /nfs/dbraw/zinc/20/50/09/1078205009.db2.gz FJQMUBCJHWTAKC-MRXNPFEDSA-N 1 1 404.308 2.852 20 0 HFADMO COc1cc(C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)cnc1Br ZINC000793503474 1078205013 /nfs/dbraw/zinc/20/50/13/1078205013.db2.gz FJQMUBCJHWTAKC-MRXNPFEDSA-N 1 1 404.308 2.852 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CN2C(=O)NC3(CCCCCCC3)C2=O)C1 ZINC000793591470 1078217970 /nfs/dbraw/zinc/21/79/70/1078217970.db2.gz BESGCXGZDRBXND-QFIPXVFZSA-N 1 1 413.518 2.796 20 0 HFADMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CN2C(=O)NC3(CCCCCCC3)C2=O)C1 ZINC000793591470 1078217973 /nfs/dbraw/zinc/21/79/73/1078217973.db2.gz BESGCXGZDRBXND-QFIPXVFZSA-N 1 1 413.518 2.796 20 0 HFADMO O=C([C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1)N1CCOCC1 ZINC000793572762 1078225308 /nfs/dbraw/zinc/22/53/08/1078225308.db2.gz QJAXIHMGGYWJOH-SFHVURJKSA-N 1 1 402.926 2.656 20 0 HFADMO O=C([C@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1)N1CCOCC1 ZINC000793572762 1078225311 /nfs/dbraw/zinc/22/53/11/1078225311.db2.gz QJAXIHMGGYWJOH-SFHVURJKSA-N 1 1 402.926 2.656 20 0 HFADMO CCOCc1cc(CN2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)ccc1OC ZINC000793604925 1078222573 /nfs/dbraw/zinc/22/25/73/1078222573.db2.gz SIYPZTXCGYSWMX-LJQANCHMSA-N 1 1 407.555 2.872 20 0 HFADMO CCOCc1cc(CN2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)ccc1OC ZINC000793604925 1078222575 /nfs/dbraw/zinc/22/25/75/1078222575.db2.gz SIYPZTXCGYSWMX-LJQANCHMSA-N 1 1 407.555 2.872 20 0 HFADMO Cc1cccc(NCCNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)[nH+]1 ZINC000793574765 1078226003 /nfs/dbraw/zinc/22/60/03/1078226003.db2.gz FBGAMFQQVDYBLY-RTBURBONSA-N 1 1 419.485 2.510 20 0 HFADMO C[C@H](O)c1ccc(CNC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000793654206 1078226713 /nfs/dbraw/zinc/22/67/13/1078226713.db2.gz SSNKNECWDYPSAN-CVAIRZPRSA-N 1 1 415.559 2.617 20 0 HFADMO C[C@H](O)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000793654212 1078226729 /nfs/dbraw/zinc/22/67/29/1078226729.db2.gz SSNKNECWDYPSAN-ZAAXVRCTSA-N 1 1 415.559 2.617 20 0 HFADMO CC[C@H](C)CC[C@H](O)CC(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000793618056 1078229130 /nfs/dbraw/zinc/22/91/30/1078229130.db2.gz JEKZUWULUIQOSH-RXVVDRJESA-N 1 1 403.567 2.909 20 0 HFADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1csc(CCNC(=O)OC(C)(C)C)n1 ZINC000793622335 1078230067 /nfs/dbraw/zinc/23/00/67/1078230067.db2.gz UBUMJTBIGCGKRV-CABCVRRESA-N 1 1 408.568 2.909 20 0 HFADMO COC(=O)[C@]1(NC(=O)C[C@H]2CCC[C@H](OC)C2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000793638071 1078237203 /nfs/dbraw/zinc/23/72/03/1078237203.db2.gz VSBZPUGOPYWHQS-JTAQYXEDSA-N 1 1 402.535 2.906 20 0 HFADMO COCC1(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793642921 1078239340 /nfs/dbraw/zinc/23/93/40/1078239340.db2.gz KQZNGJGBMOFDLA-SFHVURJKSA-N 1 1 411.587 2.744 20 0 HFADMO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000793684400 1078254191 /nfs/dbraw/zinc/25/41/91/1078254191.db2.gz AMYRHPRDNWUBNW-JQVVWYNYSA-N 1 1 409.530 2.597 20 0 HFADMO C[C@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000793689195 1078257082 /nfs/dbraw/zinc/25/70/82/1078257082.db2.gz KTJIVFRXGNRLBC-HNAYVOBHSA-N 1 1 403.523 2.823 20 0 HFADMO C[C@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000793689195 1078257087 /nfs/dbraw/zinc/25/70/87/1078257087.db2.gz KTJIVFRXGNRLBC-HNAYVOBHSA-N 1 1 403.523 2.823 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](CN3C(=O)CC4(CCCCC4)C3=O)CC[C@@H]21 ZINC000793712802 1078261560 /nfs/dbraw/zinc/26/15/60/1078261560.db2.gz ZBDGCIYBPGVMRQ-IRXDYDNUSA-N 1 1 405.539 2.985 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](CN3C(=O)CC4(CCCCC4)C3=O)CC[C@@H]21 ZINC000793712802 1078261566 /nfs/dbraw/zinc/26/15/66/1078261566.db2.gz ZBDGCIYBPGVMRQ-IRXDYDNUSA-N 1 1 405.539 2.985 20 0 HFADMO Cn1cc([C@@H]2N(C[N@@H+]3CC[C@H]4[C@@H](CCN4C(=O)OC(C)(C)C)C3)C(=O)C2(C)C)cn1 ZINC000793720358 1078264892 /nfs/dbraw/zinc/26/48/92/1078264892.db2.gz HPTIVERCUYGZAW-SZMVWBNQSA-N 1 1 417.554 2.618 20 0 HFADMO Cn1cc([C@@H]2N(C[N@H+]3CC[C@H]4[C@@H](CCN4C(=O)OC(C)(C)C)C3)C(=O)C2(C)C)cn1 ZINC000793720358 1078264898 /nfs/dbraw/zinc/26/48/98/1078264898.db2.gz HPTIVERCUYGZAW-SZMVWBNQSA-N 1 1 417.554 2.618 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(CO)C1 ZINC001170436402 1078277287 /nfs/dbraw/zinc/27/72/87/1078277287.db2.gz IJGBUQWEOYVBDM-YZZKKUAISA-N 1 1 418.534 2.898 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCc2c(C(=O)N3CCCC3)nn(C)c2C1 ZINC001170436871 1078287418 /nfs/dbraw/zinc/28/74/18/1078287418.db2.gz KZZVUAVDEFNROD-KRWDZBQOSA-N 1 1 410.518 2.764 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCc2c(C(=O)N3CCCC3)nn(C)c2C1 ZINC001170436871 1078287422 /nfs/dbraw/zinc/28/74/22/1078287422.db2.gz KZZVUAVDEFNROD-KRWDZBQOSA-N 1 1 410.518 2.764 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(Cc1cccc(F)c1)C(C)C ZINC000793808674 1078292408 /nfs/dbraw/zinc/29/24/08/1078292408.db2.gz WIXBEVOVFSJEDM-UHFFFAOYSA-N 1 1 409.465 2.768 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NCCCCCc1ccc(F)cc1 ZINC000793808648 1078302483 /nfs/dbraw/zinc/30/24/83/1078302483.db2.gz LCMWMQXKLJJFQV-UHFFFAOYSA-N 1 1 423.492 2.860 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000793803881 1078304098 /nfs/dbraw/zinc/30/40/98/1078304098.db2.gz BGHQFFACXIKWLN-YWZLYKJASA-N 1 1 421.476 2.941 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000793805134 1078304554 /nfs/dbraw/zinc/30/45/54/1078304554.db2.gz MOHDEYKLKFSBLZ-YLJYHZDGSA-N 1 1 421.476 2.784 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H](c1ccccc1C)C1CC1 ZINC000793805967 1078304970 /nfs/dbraw/zinc/30/49/70/1078304970.db2.gz RJZIIIURDREVIH-HXUWFJFHSA-N 1 1 403.486 2.768 20 0 HFADMO COc1ccc([C@@H](C)CCNC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2C)cc1 ZINC000793809430 1078306514 /nfs/dbraw/zinc/30/65/14/1078306514.db2.gz IMYDFVJWMUFHOL-INIZCTEOSA-N 1 1 421.501 2.511 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000793792507 1078298336 /nfs/dbraw/zinc/29/83/36/1078298336.db2.gz PIYUFKCKGXFTIJ-CNNODRBYSA-N 1 1 409.530 2.515 20 0 HFADMO CC[C@@H]1Cc2ccccc2CN1C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000793808306 1078305978 /nfs/dbraw/zinc/30/59/78/1078305978.db2.gz UFVQXHKDYCVZID-HXUWFJFHSA-N 1 1 403.486 2.555 20 0 HFADMO Cc1ccc(OC[C@H](C)NC(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000793796161 1078300588 /nfs/dbraw/zinc/30/05/88/1078300588.db2.gz XHJVTZUETQELLQ-FPOVZHCZSA-N 1 1 409.530 2.517 20 0 HFADMO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@@H](C)COc2ccc(C)cc2)CC1 ZINC000793780067 1078309836 /nfs/dbraw/zinc/30/98/36/1078309836.db2.gz OAJYTNIOHUVTDV-IBGZPJMESA-N 1 1 403.567 2.849 20 0 HFADMO C[C@H]1C[C@@H](C(=O)NC(C)(C)CCN2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000793838505 1078310829 /nfs/dbraw/zinc/31/08/29/1078310829.db2.gz KJEVVRWZOYOHAF-ROUUACIJSA-N 1 1 410.603 2.554 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000793809639 1078314178 /nfs/dbraw/zinc/31/41/78/1078314178.db2.gz ZXWNZFMEZIUJII-UTKZUKDTSA-N 1 1 417.513 2.905 20 0 HFADMO CCCN(Cc1ccc(C)cc1)C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000793811119 1078314609 /nfs/dbraw/zinc/31/46/09/1078314609.db2.gz SUHBJLSZCIPZLH-UHFFFAOYSA-N 1 1 405.502 2.939 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H](C)c1ccc2ncsc2c1 ZINC000793811667 1078315019 /nfs/dbraw/zinc/31/50/19/1078315019.db2.gz YPVINZLLDZBKOK-ZDUSSCGKSA-N 1 1 420.498 2.679 20 0 HFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000793811601 1078315049 /nfs/dbraw/zinc/31/50/49/1078315049.db2.gz YGWWJDTVDNMBDI-FPOVZHCZSA-N 1 1 417.513 2.720 20 0 HFADMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NOCc2ccc(C(F)(F)F)cc2)CC1=O ZINC000747149009 1078318426 /nfs/dbraw/zinc/31/84/26/1078318426.db2.gz FBVMRUFDRLMZBZ-RDJZCZTQSA-N 1 1 413.440 2.586 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCC[C@]2(C1)COCCN(CCOC)C2 ZINC001170438545 1078322477 /nfs/dbraw/zinc/32/24/77/1078322477.db2.gz TXJQREBOZIDUJR-OFNKIYASSA-N 1 1 404.551 2.797 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1Cc2nccn2C[C@H](CN2CCCC2=O)C1 ZINC001170438556 1078322503 /nfs/dbraw/zinc/32/25/03/1078322503.db2.gz TYVOBYXIPWEXFV-RTBURBONSA-N 1 1 410.518 2.687 20 0 HFADMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)NC2CCC2)C1 ZINC001170438524 1078322537 /nfs/dbraw/zinc/32/25/37/1078322537.db2.gz SWWHIRGAUCMFLM-ZVVDCOBXSA-N 1 1 400.519 2.742 20 0 HFADMO Cc1ccc([C@@H](C)NC(=O)C(=O)NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)s1 ZINC000793860398 1078325780 /nfs/dbraw/zinc/32/57/80/1078325780.db2.gz VQSUYWXURMWKQL-OAHLLOKOSA-N 1 1 418.563 2.867 20 0 HFADMO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2)c1 ZINC000793863101 1078326849 /nfs/dbraw/zinc/32/68/49/1078326849.db2.gz BMWCHATXJJGMSK-JOCHJYFZSA-N 1 1 422.573 2.848 20 0 HFADMO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N(C)Cc2ccn(-c3ccccc3)n2)c1 ZINC000793868087 1078328379 /nfs/dbraw/zinc/32/83/79/1078328379.db2.gz LGWXRFHTZAEVNH-UHFFFAOYSA-N 1 1 419.529 2.599 20 0 HFADMO C[C@@H](O)C[N@H+]1CCN(C(=O)CCc2ccccc2NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000793873419 1078330047 /nfs/dbraw/zinc/33/00/47/1078330047.db2.gz AVWILERHXNGMPI-IAGOWNOFSA-N 1 1 405.539 2.880 20 0 HFADMO C[C@@H](C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000793876056 1078332069 /nfs/dbraw/zinc/33/20/69/1078332069.db2.gz VFIVPPLONUFISO-AJYBTWMASA-N 1 1 419.566 2.802 20 0 HFADMO C[C@@H](C(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000793876056 1078332073 /nfs/dbraw/zinc/33/20/73/1078332073.db2.gz VFIVPPLONUFISO-AJYBTWMASA-N 1 1 419.566 2.802 20 0 HFADMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(-c3ccc(Br)cc3)n2C)[C@@H](C)C1 ZINC000793876160 1078332100 /nfs/dbraw/zinc/33/21/00/1078332100.db2.gz XOPQZHQMGAMZJY-LSDHHAIUSA-N 1 1 420.351 2.982 20 0 HFADMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(-c3ccc(Br)cc3)n2C)[C@@H](C)C1 ZINC000793876160 1078332102 /nfs/dbraw/zinc/33/21/02/1078332102.db2.gz XOPQZHQMGAMZJY-LSDHHAIUSA-N 1 1 420.351 2.982 20 0 HFADMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000793915615 1078337040 /nfs/dbraw/zinc/33/70/40/1078337040.db2.gz ZQZSWBXDASEYQI-MOXWOTFGSA-N 1 1 415.578 2.753 20 0 HFADMO CCCc1ccc(N2C[C@H](C(=O)NC3CCN(c4[nH+]ccn4C)CC3)CC2=O)cc1 ZINC000793951648 1078345289 /nfs/dbraw/zinc/34/52/89/1078345289.db2.gz KEBOQKOYMDOQIA-GOSISDBHSA-N 1 1 409.534 2.511 20 0 HFADMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C ZINC000793960932 1078348176 /nfs/dbraw/zinc/34/81/76/1078348176.db2.gz WJGIBBVUJREZJQ-RTBURBONSA-N 1 1 409.615 2.772 20 0 HFADMO Cc1ccccc1CN1CCCN(C(=O)C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)CC1 ZINC001170443797 1078381191 /nfs/dbraw/zinc/38/11/91/1078381191.db2.gz TWEWKGKIFWXJKB-LADGPHEKSA-N 1 1 403.611 2.908 20 0 HFADMO CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000794233441 1078389570 /nfs/dbraw/zinc/38/95/70/1078389570.db2.gz MTOAUZLHGOASSU-HNNXBMFYSA-N 1 1 413.902 2.797 20 0 HFADMO O=C(NC1CC([NH+]2CCCCC2)C1)c1cccc(I)c1O ZINC000794209287 1078393593 /nfs/dbraw/zinc/39/35/93/1078393593.db2.gz KEPASMHIOPDLSI-UHFFFAOYSA-N 1 1 400.260 2.744 20 0 HFADMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000794217173 1078394980 /nfs/dbraw/zinc/39/49/80/1078394980.db2.gz FLTQREREMIQLFS-CQSZACIVSA-N 1 1 401.548 2.753 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H](OCC2CCOCC2)[C@H]2COC[C@H]21 ZINC001170445174 1078403560 /nfs/dbraw/zinc/40/35/60/1078403560.db2.gz WCVHMPMRRXOXHE-VLVHOKLOSA-N 1 1 403.519 2.879 20 0 HFADMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H]2COC[C@]2(CC(=O)NCC2CC2)C1 ZINC001170445171 1078403634 /nfs/dbraw/zinc/40/36/34/1078403634.db2.gz WAWVDAQGVRDDTP-PWHSHALESA-N 1 1 400.519 2.601 20 0 HFADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)COc2ccc(F)cc2)CC1 ZINC000794301299 1078405232 /nfs/dbraw/zinc/40/52/32/1078405232.db2.gz TXIBVAIEUNZDDO-KRWDZBQOSA-N 1 1 400.450 2.653 20 0 HFADMO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000794330413 1078416035 /nfs/dbraw/zinc/41/60/35/1078416035.db2.gz VZCNNIQSZYRIEC-HZPDHXFCSA-N 1 1 401.548 2.593 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000794383732 1078432691 /nfs/dbraw/zinc/43/26/91/1078432691.db2.gz PMHANTNPYSUJRX-MOPGFXCFSA-N 1 1 405.539 2.547 20 0 HFADMO CC[N@@H+]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)[C@H](C)C1 ZINC000804380587 1078440582 /nfs/dbraw/zinc/44/05/82/1078440582.db2.gz VUWSOWOSTYJOSD-CQSZACIVSA-N 1 1 401.960 2.535 20 0 HFADMO CC[N@H+]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)[C@H](C)C1 ZINC000804380587 1078440583 /nfs/dbraw/zinc/44/05/83/1078440583.db2.gz VUWSOWOSTYJOSD-CQSZACIVSA-N 1 1 401.960 2.535 20 0 HFADMO CC[N@@H+]1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)[C@@H]3CCCO[C@H]3C2(C)C)[C@@H](C)C1 ZINC000804379004 1078454930 /nfs/dbraw/zinc/45/49/30/1078454930.db2.gz FUGSITBBTZQYCE-QNFHRHJVSA-N 1 1 409.571 2.638 20 0 HFADMO CC[N@H+]1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)[C@@H]3CCCO[C@H]3C2(C)C)[C@@H](C)C1 ZINC000804379004 1078454932 /nfs/dbraw/zinc/45/49/32/1078454932.db2.gz FUGSITBBTZQYCE-QNFHRHJVSA-N 1 1 409.571 2.638 20 0 HFADMO CC(C)Cc1ncnc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1I ZINC000804396543 1078461619 /nfs/dbraw/zinc/46/16/19/1078461619.db2.gz JOIJKYYDCLHADK-QWHCGFSZSA-N 1 1 416.307 2.555 20 0 HFADMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000804418909 1078468834 /nfs/dbraw/zinc/46/88/34/1078468834.db2.gz ZGTPOBJKUNAYOX-VQTJNVASSA-N 1 1 421.969 2.603 20 0 HFADMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000804420302 1078469357 /nfs/dbraw/zinc/46/93/57/1078469357.db2.gz GSBDNXGQVNXNSK-HIFRSBDPSA-N 1 1 401.429 2.753 20 0 HFADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCCC[C@H]3COC(=O)N(C)C)cc2)C[C@@H](C)O1 ZINC000804658006 1078492315 /nfs/dbraw/zinc/49/23/15/1078492315.db2.gz MGQOEQGDLZYPKJ-OPYAIIAOSA-N 1 1 417.550 2.989 20 0 HFADMO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC001170451659 1078496581 /nfs/dbraw/zinc/49/65/81/1078496581.db2.gz MHZNQWBZHZLKTQ-NUJGCVRESA-N 1 1 405.539 2.560 20 0 HFADMO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC001170451659 1078496585 /nfs/dbraw/zinc/49/65/85/1078496585.db2.gz MHZNQWBZHZLKTQ-NUJGCVRESA-N 1 1 405.539 2.560 20 0 HFADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2sc3cccc(F)c3c2COC)CC1 ZINC000804667979 1078499383 /nfs/dbraw/zinc/49/93/83/1078499383.db2.gz LKCIPJTWLLGFJS-ZDUSSCGKSA-N 1 1 408.495 2.896 20 0 HFADMO O=C(Cn1ncc(=O)c2ccccc21)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001129485182 1078505636 /nfs/dbraw/zinc/50/56/36/1078505636.db2.gz DEROHXWQEWYFKN-FQEVSTJZSA-N 1 1 404.514 2.815 20 0 HFADMO O=Cc1cccc(OCCC(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000804446470 1078513688 /nfs/dbraw/zinc/51/36/88/1078513688.db2.gz HRBSYPLYAXVSRT-QHCPKHFHSA-N 1 1 421.541 2.687 20 0 HFADMO COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001129801889 1078525891 /nfs/dbraw/zinc/52/58/91/1078525891.db2.gz SHJNLTNZGRRIQA-JBYIUTFZSA-N 1 1 412.534 2.900 20 0 HFADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nc3cc(Cl)ccn3n2)[C@H](c2cnn(C)c2)C1 ZINC001129566462 1078560243 /nfs/dbraw/zinc/56/02/43/1078560243.db2.gz GUTFJTDFSGRVQE-HOTGVXAUSA-N 1 1 401.902 2.569 20 0 HFADMO O=C(Cc1csc(-c2nc[nH]n2)n1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804534340 1078570911 /nfs/dbraw/zinc/57/09/11/1078570911.db2.gz OOGBGZPENUSTIC-OAQYLSRUSA-N 1 1 408.531 2.595 20 0 HFADMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001129599173 1078573295 /nfs/dbraw/zinc/57/32/95/1078573295.db2.gz LVDBGBHKHXOSSN-BZSNNMDCSA-N 1 1 411.468 2.720 20 0 HFADMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001129599177 1078573813 /nfs/dbraw/zinc/57/38/13/1078573813.db2.gz LVDBGBHKHXOSSN-SQNIBIBYSA-N 1 1 411.468 2.720 20 0 HFADMO O=C(Cc1cnn(-c2ccccc2)n1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804536581 1078584987 /nfs/dbraw/zinc/58/49/87/1078584987.db2.gz WQSGIMKWADYWNX-XMMPIXPASA-N 1 1 401.514 2.934 20 0 HFADMO CC(C)(C)OC(=O)N1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC000804759784 1078610628 /nfs/dbraw/zinc/61/06/28/1078610628.db2.gz APUZNNKPTRVMAA-PMACEKPBSA-N 1 1 420.598 2.547 20 0 HFADMO Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N(C)C(C)(C)C[NH+]3CCOCC3)C2)c1 ZINC001129658858 1078619911 /nfs/dbraw/zinc/61/99/11/1078619911.db2.gz PRCCAEOKAKZGOW-HXUWFJFHSA-N 1 1 415.578 2.725 20 0 HFADMO CC(=O)c1ccc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(S(N)(=O)=O)c1 ZINC000804811880 1078657005 /nfs/dbraw/zinc/65/70/05/1078657005.db2.gz FRLCBQVLHAWULH-QFIPXVFZSA-N 1 1 413.543 2.639 20 0 HFADMO NS(=O)(=O)c1ccc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c2ncccc12 ZINC000804812118 1078657091 /nfs/dbraw/zinc/65/70/91/1078657091.db2.gz JREHXFDAPJDKKT-HSZRJFAPSA-N 1 1 422.554 2.985 20 0 HFADMO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000804830059 1078670743 /nfs/dbraw/zinc/67/07/43/1078670743.db2.gz OHGRPYJIAIPBLR-MJGOQNOKSA-N 1 1 400.567 2.528 20 0 HFADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCc3ccccc3OC2)CC[N@H+]1Cc1ccccc1 ZINC000804644000 1078698645 /nfs/dbraw/zinc/69/86/45/1078698645.db2.gz VRHBRLSVXMFRJI-BVYCBKJFSA-N 1 1 421.541 2.666 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000804643668 1078699455 /nfs/dbraw/zinc/69/94/55/1078699455.db2.gz NVPNGVOTYRBRJE-FUHWJXTLSA-N 1 1 414.937 2.829 20 0 HFADMO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000804643670 1078699504 /nfs/dbraw/zinc/69/95/04/1078699504.db2.gz NVPNGVOTYRBRJE-SJLPKXTDSA-N 1 1 414.937 2.829 20 0 HFADMO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000804645726 1078701725 /nfs/dbraw/zinc/70/17/25/1078701725.db2.gz XBHGWRYIURJUMD-NSHGMRRFSA-N 1 1 407.555 2.537 20 0 HFADMO O=C(COC(=O)c1ccnc2ccccc21)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000804854501 1078725215 /nfs/dbraw/zinc/72/52/15/1078725215.db2.gz HGFAXNMGYRFGKW-UHFFFAOYSA-N 1 1 411.502 2.543 20 0 HFADMO CCCOc1ccc(CNC(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000804857387 1078727330 /nfs/dbraw/zinc/72/73/30/1078727330.db2.gz CTKWWGCCQNCDIX-XMMPIXPASA-N 1 1 424.545 2.515 20 0 HFADMO Cc1nc(C[NH+]2CCC(C(=O)N3CCCC[C@H]3COC(=O)N(C)C)CC2)cs1 ZINC000804662375 1078731674 /nfs/dbraw/zinc/73/16/74/1078731674.db2.gz UKXYRKFLIAHMRO-SFHVURJKSA-N 1 1 408.568 2.743 20 0 HFADMO CCc1ccc([C@H](O)CNC(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000804914212 1078736190 /nfs/dbraw/zinc/73/61/90/1078736190.db2.gz ZFJPOKQXULRWHL-WMZHIEFXSA-N 1 1 410.562 2.792 20 0 HFADMO Cc1cc(F)cc2c1S(=O)(=O)N(C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)C2=O ZINC000804917981 1078740166 /nfs/dbraw/zinc/74/01/66/1078740166.db2.gz VMLLIWRSLGTTKI-SFHVURJKSA-N 1 1 418.490 2.570 20 0 HFADMO Cc1cc(F)cc2c1S(=O)(=O)N(C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)C2=O ZINC000804917981 1078740168 /nfs/dbraw/zinc/74/01/68/1078740168.db2.gz VMLLIWRSLGTTKI-SFHVURJKSA-N 1 1 418.490 2.570 20 0 HFADMO Cc1cc(F)cc2c1S(=O)(=O)N(C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)C2=O ZINC000804917980 1078740207 /nfs/dbraw/zinc/74/02/07/1078740207.db2.gz VMLLIWRSLGTTKI-GOSISDBHSA-N 1 1 418.490 2.570 20 0 HFADMO Cc1cc(F)cc2c1S(=O)(=O)N(C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)C2=O ZINC000804917980 1078740208 /nfs/dbraw/zinc/74/02/08/1078740208.db2.gz VMLLIWRSLGTTKI-GOSISDBHSA-N 1 1 418.490 2.570 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000804893418 1078751445 /nfs/dbraw/zinc/75/14/45/1078751445.db2.gz CCKRCGOTFHODGR-SFHVURJKSA-N 1 1 401.429 2.646 20 0 HFADMO O=C(NCc1ccc(Cl)nc1)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804933821 1078789273 /nfs/dbraw/zinc/78/92/73/1078789273.db2.gz LYHWBQCQKZFYPH-HXUWFJFHSA-N 1 1 413.953 2.837 20 0 HFADMO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000804954667 1078795989 /nfs/dbraw/zinc/79/59/89/1078795989.db2.gz PLIYSRCBZOLKQA-RVKKMQEKSA-N 1 1 407.477 2.882 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)Cc2cccc(Br)c2)cn1 ZINC000805007797 1078851848 /nfs/dbraw/zinc/85/18/48/1078851848.db2.gz ZTXKUYGPSIKJHP-UHFFFAOYSA-N 1 1 421.320 2.958 20 0 HFADMO COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)c1 ZINC000805121064 1078903216 /nfs/dbraw/zinc/90/32/16/1078903216.db2.gz KABOCAREMGBWLO-INIZCTEOSA-N 1 1 414.886 2.847 20 0 HFADMO Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000805135831 1078932365 /nfs/dbraw/zinc/93/23/65/1078932365.db2.gz YPTQVACYRQMXGD-MRXNPFEDSA-N 1 1 414.959 2.750 20 0 HFADMO CCc1ccc([C@@H](O)CNC(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000805149302 1078946135 /nfs/dbraw/zinc/94/61/35/1078946135.db2.gz BKJRRXNJBVFBES-CVDCTZTESA-N 1 1 410.562 2.792 20 0 HFADMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC001130099618 1078949949 /nfs/dbraw/zinc/94/99/49/1078949949.db2.gz VRAIMLYCJUAYRE-IBGZPJMESA-N 1 1 413.543 2.604 20 0 HFADMO COC(=O)N1CCC(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000805170550 1078957725 /nfs/dbraw/zinc/95/77/25/1078957725.db2.gz HOPGRBNJOFKOPE-YLJYHZDGSA-N 1 1 402.539 2.675 20 0 HFADMO CCN(CCc1ccccn1)C(=O)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000805195945 1078969967 /nfs/dbraw/zinc/96/99/67/1078969967.db2.gz HENGMCQAVNKXCR-DEOSSOPVSA-N 1 1 408.546 2.644 20 0 HFADMO CCOC(=O)N1CC[C@H](NC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000805301332 1078995936 /nfs/dbraw/zinc/99/59/36/1078995936.db2.gz LDHZHBYLDYMFAU-UGKGYDQZSA-N 1 1 400.523 2.525 20 0 HFADMO CCOc1cc(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)ccc1OCc1cccnc1 ZINC000747236395 1078994159 /nfs/dbraw/zinc/99/41/59/1078994159.db2.gz MJDLIPPKUGEKLK-PMACEKPBSA-N 1 1 411.502 2.652 20 0 HFADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000747235901 1079004658 /nfs/dbraw/zinc/00/46/58/1079004658.db2.gz JIFYDUTYCZJRSG-CABCVRRESA-N 1 1 412.387 2.623 20 0 HFADMO CC(C)(C)C(=O)N1CCO[C@H](C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)C1 ZINC001130139007 1079007646 /nfs/dbraw/zinc/00/76/46/1079007646.db2.gz LOSZYXYHRCQACW-AWEZNQCLSA-N 1 1 408.568 2.512 20 0 HFADMO COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000747238922 1079021677 /nfs/dbraw/zinc/02/16/77/1079021677.db2.gz VMNCCNCTNRYLAV-RAXLEYEMSA-N 1 1 414.527 2.769 20 0 HFADMO COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000747238922 1079021680 /nfs/dbraw/zinc/02/16/80/1079021680.db2.gz VMNCCNCTNRYLAV-RAXLEYEMSA-N 1 1 414.527 2.769 20 0 HFADMO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000805411757 1079073346 /nfs/dbraw/zinc/07/33/46/1079073346.db2.gz YFLYPXKYYWYUHP-PMACEKPBSA-N 1 1 402.539 2.811 20 0 HFADMO CCCNC(=O)OC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000805411765 1079073376 /nfs/dbraw/zinc/07/33/76/1079073376.db2.gz YFLYPXKYYWYUHP-WOJBJXKFSA-N 1 1 402.539 2.811 20 0 HFADMO NC(=O)c1ccc(C(=O)O[C@@H]2CCC[C@@H]2[NH+]2CCN(c3cccc(Cl)c3)CC2)o1 ZINC000747245005 1079089953 /nfs/dbraw/zinc/08/99/53/1079089953.db2.gz WKWDEVUWAOVXLB-DLBZAZTESA-N 1 1 417.893 2.932 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(Cl)cc1Cl ZINC000747246889 1079122653 /nfs/dbraw/zinc/12/26/53/1079122653.db2.gz IPYWQLSIBJCVPW-KGLIPLIRSA-N 1 1 407.319 2.685 20 0 HFADMO C[C@@H](CNC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259652 1079149165 /nfs/dbraw/zinc/14/91/65/1079149165.db2.gz IMJLLEKSSKMNFX-PABYOWBDSA-N 1 1 421.541 2.998 20 0 HFADMO C[C@@H](CNC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259652 1079149170 /nfs/dbraw/zinc/14/91/70/1079149170.db2.gz IMJLLEKSSKMNFX-PABYOWBDSA-N 1 1 421.541 2.998 20 0 HFADMO C[C@@H]1CN(c2ccc(NC(=O)COC(=O)C(C)(C)[NH+]3CCCC3)cc2)C[C@@H](C)O1 ZINC000805612193 1079174490 /nfs/dbraw/zinc/17/44/90/1079174490.db2.gz JHKJLMCEOFSUPD-IAGOWNOFSA-N 1 1 403.523 2.656 20 0 HFADMO CC(C)[C@@H](NC(=O)COC(=O)C(C)(C)[NH+]1CCCC1)c1ccc2c(c1)OCCO2 ZINC000805616118 1079176114 /nfs/dbraw/zinc/17/61/14/1079176114.db2.gz AIJSOEXURJRJCY-HXUWFJFHSA-N 1 1 404.507 2.689 20 0 HFADMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)C1 ZINC000805636679 1079190669 /nfs/dbraw/zinc/19/06/69/1079190669.db2.gz ZFFCCTWMNLEMDB-KRWDZBQOSA-N 1 1 403.567 2.547 20 0 HFADMO COc1ccc(-n2cnnc2SCC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC001130301636 1079193834 /nfs/dbraw/zinc/19/38/34/1079193834.db2.gz SKNUCRRZLJQKTR-ROUUACIJSA-N 1 1 401.536 2.501 20 0 HFADMO O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001130302056 1079194280 /nfs/dbraw/zinc/19/42/80/1079194280.db2.gz VVANAWNHQFODQA-RTWAWAEBSA-N 1 1 419.591 2.537 20 0 HFADMO Cc1ccc(N(C(=O)C[N@@H+]([C@H](C)CO)C2CCCC2)[C@H]2C=CS(=O)(=O)C2)cc1C ZINC000805750942 1079230783 /nfs/dbraw/zinc/23/07/83/1079230783.db2.gz ASNNVXWXSQYZQJ-NQIIRXRSSA-N 1 1 420.575 2.573 20 0 HFADMO Cc1ccc(N(C(=O)C[N@H+]([C@H](C)CO)C2CCCC2)[C@H]2C=CS(=O)(=O)C2)cc1C ZINC000805750942 1079230789 /nfs/dbraw/zinc/23/07/89/1079230789.db2.gz ASNNVXWXSQYZQJ-NQIIRXRSSA-N 1 1 420.575 2.573 20 0 HFADMO CCC[N@@H+](C)[C@@H](CNC(=O)N1CCN2C(=O)OCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000805752180 1079231235 /nfs/dbraw/zinc/23/12/35/1079231235.db2.gz ADYCXPWYSZTFMO-ROUUACIJSA-N 1 1 408.930 2.959 20 0 HFADMO CCOC(=O)N1CCC(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)CC1 ZINC000805754181 1079231897 /nfs/dbraw/zinc/23/18/97/1079231897.db2.gz XSVZHVXFYHQTIB-UHFFFAOYSA-N 1 1 421.513 2.544 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)NCc1ccccc1 ZINC000805766070 1079267816 /nfs/dbraw/zinc/26/78/16/1079267816.db2.gz XOATWVNUDBTZGQ-SFHVURJKSA-N 1 1 418.538 2.782 20 0 HFADMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1CC(=O)NC(=O)NCc1ccccc1 ZINC000805766069 1079267836 /nfs/dbraw/zinc/26/78/36/1079267836.db2.gz XOATWVNUDBTZGQ-GOSISDBHSA-N 1 1 418.538 2.782 20 0 HFADMO C[C@@H]1[C@@H](C)[N@H+](C)C[C@H](C)N1C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001130370447 1079270014 /nfs/dbraw/zinc/27/00/14/1079270014.db2.gz OLWYKSSIXFLEQP-IPMKNSEASA-N 1 1 421.607 2.733 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)ccc1F ZINC000747270584 1079277732 /nfs/dbraw/zinc/27/77/32/1079277732.db2.gz LXHFNVLKSPBSPE-HZPDHXFCSA-N 1 1 412.527 2.887 20 0 HFADMO CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCCC[C@H]2COC(=O)NC)cc1 ZINC000805825647 1079295586 /nfs/dbraw/zinc/29/55/86/1079295586.db2.gz BESMDXUMVSGOGQ-AZUAARDMSA-N 1 1 403.523 2.959 20 0 HFADMO CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCCC[C@H]2COC(=O)NC)cc1 ZINC000805825647 1079295591 /nfs/dbraw/zinc/29/55/91/1079295591.db2.gz BESMDXUMVSGOGQ-AZUAARDMSA-N 1 1 403.523 2.959 20 0 HFADMO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCCC[C@H]2COC(=O)NC)cc1 ZINC000805825648 1079295700 /nfs/dbraw/zinc/29/57/00/1079295700.db2.gz BESMDXUMVSGOGQ-ICSRJNTNSA-N 1 1 403.523 2.959 20 0 HFADMO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCCC[C@H]2COC(=O)NC)cc1 ZINC000805825648 1079295702 /nfs/dbraw/zinc/29/57/02/1079295702.db2.gz BESMDXUMVSGOGQ-ICSRJNTNSA-N 1 1 403.523 2.959 20 0 HFADMO C[C@@]1(CNC(=O)C(=O)NCCc2cc(F)ccc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000805824231 1079294619 /nfs/dbraw/zinc/29/46/19/1079294619.db2.gz ZETXHBYDYCIZBO-QHCPKHFHSA-N 1 1 415.484 2.652 20 0 HFADMO NS(=O)(=O)c1ccc(CC[N@H+]2CCCC[C@@H]2COC(=O)NC2CCCCC2)cc1 ZINC000805827406 1079297776 /nfs/dbraw/zinc/29/77/76/1079297776.db2.gz QZVDQHPWKHIWTJ-LJQANCHMSA-N 1 1 423.579 2.790 20 0 HFADMO CC[N@@H+](Cc1ccc(C(=O)Oc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)cc1)C(C)C ZINC000805876575 1079317287 /nfs/dbraw/zinc/31/72/87/1079317287.db2.gz QCPHDMCRFBCMNX-FQEVSTJZSA-N 1 1 409.486 2.887 20 0 HFADMO COCC[N@@H+]1CCN(C(=O)c2c(C)nc3ccc(Br)cn32)C(C)(C)C1 ZINC001130421271 1079340715 /nfs/dbraw/zinc/34/07/15/1079340715.db2.gz NHBLQJOZNKTYOX-UHFFFAOYSA-N 1 1 409.328 2.588 20 0 HFADMO COCC[N@H+]1CCN(C(=O)c2c(C)nc3ccc(Br)cn32)C(C)(C)C1 ZINC001130421271 1079340718 /nfs/dbraw/zinc/34/07/18/1079340718.db2.gz NHBLQJOZNKTYOX-UHFFFAOYSA-N 1 1 409.328 2.588 20 0 HFADMO C[C@H](CNC(=O)C(=O)N1CCC([C@H](O)c2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000805940794 1079343716 /nfs/dbraw/zinc/34/37/16/1079343716.db2.gz CNABHOLNDKYTDC-AUSIDOKSSA-N 1 1 423.557 2.595 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)ccc1F ZINC000747284426 1079359996 /nfs/dbraw/zinc/35/99/96/1079359996.db2.gz RYTVNSDUQULUFT-MRXNPFEDSA-N 1 1 420.506 2.897 20 0 HFADMO COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)ccc1F ZINC000747284426 1079359998 /nfs/dbraw/zinc/35/99/98/1079359998.db2.gz RYTVNSDUQULUFT-MRXNPFEDSA-N 1 1 420.506 2.897 20 0 HFADMO C[C@@H](CNC(=O)COCCc1ccc(Br)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130475683 1079389569 /nfs/dbraw/zinc/38/95/69/1079389569.db2.gz SKMVZARIMBMNFM-HRCADAONSA-N 1 1 413.356 2.622 20 0 HFADMO C[C@@H](CNC(=O)COCCc1ccc(Br)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130475683 1079389573 /nfs/dbraw/zinc/38/95/73/1079389573.db2.gz SKMVZARIMBMNFM-HRCADAONSA-N 1 1 413.356 2.622 20 0 HFADMO Cn1ncc(CNC(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)n1 ZINC000805999717 1079396730 /nfs/dbraw/zinc/39/67/30/1079396730.db2.gz YFWZKDKQKQOHEG-UHFFFAOYSA-N 1 1 414.510 2.710 20 0 HFADMO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCCCCOc2ccc(Cl)cc2)CC[N@H+]1C ZINC000806039699 1079410472 /nfs/dbraw/zinc/41/04/72/1079410472.db2.gz UNUXPPCIYYJJMS-AEFFLSMTSA-N 1 1 409.958 2.994 20 0 HFADMO CC(C)NC(=O)c1ccc(C(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001130527146 1079436029 /nfs/dbraw/zinc/43/60/29/1079436029.db2.gz ACNLFLFFLKMBKD-PKTZIBPZSA-N 1 1 421.541 2.940 20 0 HFADMO C[C@@H]1CCn2ncc(C(=O)Nc3ccc(OCCC[NH+]4CCN(C)CC4)cc3)c2C1 ZINC001130542518 1079463331 /nfs/dbraw/zinc/46/33/31/1079463331.db2.gz XSNQFHGBHPZRNV-GOSISDBHSA-N 1 1 411.550 2.734 20 0 HFADMO C[C@@]1(CNC(=O)C(=O)N[C@@H]2CSc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000806151831 1079467985 /nfs/dbraw/zinc/46/79/85/1079467985.db2.gz QZAWPNKGUGBNLG-XXBNENTESA-N 1 1 409.555 2.978 20 0 HFADMO CN(C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000806166939 1079475368 /nfs/dbraw/zinc/47/53/68/1079475368.db2.gz ZHRJODBQHOGIFO-SJPCQFCGSA-N 1 1 408.568 2.852 20 0 HFADMO C[N@@H+]1CCN(C(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)[C@H](Cc2ccccc2)C1 ZINC001130549838 1079486487 /nfs/dbraw/zinc/48/64/87/1079486487.db2.gz JASOBACHDBUMBY-LJQANCHMSA-N 1 1 422.497 2.823 20 0 HFADMO C[N@H+]1CCN(C(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)[C@H](Cc2ccccc2)C1 ZINC001130549838 1079486490 /nfs/dbraw/zinc/48/64/90/1079486490.db2.gz JASOBACHDBUMBY-LJQANCHMSA-N 1 1 422.497 2.823 20 0 HFADMO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)[nH]n2)C1 ZINC000787333763 1076745544 /nfs/dbraw/zinc/74/55/44/1076745544.db2.gz BEGAIKSKRNBEEU-IRXDYDNUSA-N 1 1 417.554 2.835 20 0 HFADMO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000787300970 1076748800 /nfs/dbraw/zinc/74/88/00/1076748800.db2.gz 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2.982 20 0 HFADMO CN(C)c1cc(NC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)cc[nH+]1 ZINC000787415131 1076797838 /nfs/dbraw/zinc/79/78/38/1076797838.db2.gz USKRUBRURCHSKD-ZDUSSCGKSA-N 1 1 400.483 2.847 20 0 HFADMO COc1ccc(OC)c([C@H](O)CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)c1 ZINC000787426373 1076801733 /nfs/dbraw/zinc/80/17/33/1076801733.db2.gz HCJMWPOPBKFMMM-MRXNPFEDSA-N 1 1 418.400 2.686 20 0 HFADMO COC(=O)[C@@]1(NC(=O)c2ccc(NC(C)C)nc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000787428477 1076802000 /nfs/dbraw/zinc/80/20/00/1076802000.db2.gz WXXDUGGLAGUTST-HSZRJFAPSA-N 1 1 410.518 2.840 20 0 HFADMO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787396238 1076807036 /nfs/dbraw/zinc/80/70/36/1076807036.db2.gz YAGYDGQOAZYVGU-SJORKVTESA-N 1 1 419.570 2.938 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@H]2Cc2ccccc2C)cn1 ZINC000787489801 1076823375 /nfs/dbraw/zinc/82/33/75/1076823375.db2.gz NXLSDJWPUGZGEL-NRFANRHFSA-N 1 1 417.513 2.734 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)cn1 ZINC000787489705 1076823723 /nfs/dbraw/zinc/82/37/23/1076823723.db2.gz MNXMYRKKYVLRCX-MAUKXSAKSA-N 1 1 407.474 2.785 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2c2ccccc2C)cn1 ZINC000787477977 1076837334 /nfs/dbraw/zinc/83/73/34/1076837334.db2.gz NOPQXAWNLPACBP-HXUWFJFHSA-N 1 1 403.486 2.864 20 0 HFADMO CSc1ccccc1CN(C)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000787480228 1076838699 /nfs/dbraw/zinc/83/86/99/1076838699.db2.gz CBNFWYDVMLURMG-UHFFFAOYSA-N 1 1 409.515 2.572 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(Cc2cccc(F)c2)C(C)C)cn1 ZINC000787482111 1076839983 /nfs/dbraw/zinc/83/99/83/1076839983.db2.gz QQDQNYKPXJVDMZ-UHFFFAOYSA-N 1 1 409.465 2.768 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(C)[C@@H](C)c2cc(F)ccc2F)cn1 ZINC000787482528 1076841056 /nfs/dbraw/zinc/84/10/56/1076841056.db2.gz SDKNAGDQAXJQAA-ZDUSSCGKSA-N 1 1 413.428 2.690 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)cn1 ZINC000787484028 1076841476 /nfs/dbraw/zinc/84/14/76/1076841476.db2.gz IVYWYTZMMJSRKT-TZIWHRDSSA-N 1 1 417.513 2.720 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@@H](C)C[C@H]2c2ccccc2F)cn1 ZINC000787483520 1076842123 /nfs/dbraw/zinc/84/21/23/1076842123.db2.gz FTBVGUYPKOLIGC-YWZLYKJASA-N 1 1 421.476 2.941 20 0 HFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)Nc2ccc(C3CCC3)cc2)CC1 ZINC000787483555 1076842318 /nfs/dbraw/zinc/84/23/18/1076842318.db2.gz QWBCZXRDYVTHES-KDURUIRLSA-N 1 1 412.578 2.910 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCc2c(Cl)cccc2Cl)cn1 ZINC000787485564 1076843528 /nfs/dbraw/zinc/84/35/28/1076843528.db2.gz LMZYNORZPHROSL-UHFFFAOYSA-N 1 1 418.284 2.815 20 0 HFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC(C)(C)[C@@H]2c2ccccc2)cn1 ZINC000787485839 1076843537 /nfs/dbraw/zinc/84/35/37/1076843537.db2.gz MOQAIKBNJCZYHE-FQEVSTJZSA-N 1 1 403.486 2.802 20 0 HFADMO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000746692499 1076847281 /nfs/dbraw/zinc/84/72/81/1076847281.db2.gz URMQNZPKOCUUAA-GOSISDBHSA-N 1 1 422.554 2.666 20 0 HFADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000746692499 1076847286 /nfs/dbraw/zinc/84/72/86/1076847286.db2.gz URMQNZPKOCUUAA-GOSISDBHSA-N 1 1 422.554 2.666 20 0 HFADMO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000746689643 1076859307 /nfs/dbraw/zinc/85/93/07/1076859307.db2.gz OQVRUPFUPMJQIY-IAGOWNOFSA-N 1 1 414.575 2.798 20 0 HFADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000746689643 1076859311 /nfs/dbraw/zinc/85/93/11/1076859311.db2.gz OQVRUPFUPMJQIY-IAGOWNOFSA-N 1 1 414.575 2.798 20 0 HFADMO Cc1nc(COc2ccccc2C(=O)OCCC[NH+]2CCN(C(C)C)CC2)no1 ZINC000787590418 1076862258 /nfs/dbraw/zinc/86/22/58/1076862258.db2.gz GWTOAFYDJWNDCB-UHFFFAOYSA-N 1 1 402.495 2.530 20 0 HFADMO CCCN(CCC[NH+](C)C)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787576315 1076869461 /nfs/dbraw/zinc/86/94/61/1076869461.db2.gz OWBZQPDTVCAVBD-INIZCTEOSA-N 1 1 407.559 2.938 20 0 HFADMO COC[C@@H](NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1)c1ccc(Cl)cc1 ZINC000787604222 1076888824 /nfs/dbraw/zinc/88/88/24/1076888824.db2.gz SPQUXICEBRXSDO-QGZVFWFLSA-N 1 1 413.865 2.672 20 0 HFADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000787675114 1076890066 /nfs/dbraw/zinc/89/00/66/1076890066.db2.gz XBGMVPFNPZZLSH-HKUYNNGSSA-N 1 1 421.582 2.735 20 0 HFADMO Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000787657551 1076901212 /nfs/dbraw/zinc/90/12/12/1076901212.db2.gz XTZABVWHJGDOJF-INIZCTEOSA-N 1 1 408.424 2.733 20 0 HFADMO Cc1cccc(CN2CC[NH+]([C@H]3CN(C(=O)OC(C)(C)C)CC[C@]3(C)O)CC2)c1 ZINC000787688980 1076912583 /nfs/dbraw/zinc/91/25/83/1076912583.db2.gz QIWZGZICMFFWQV-REWPJTCUSA-N 1 1 403.567 2.873 20 0 HFADMO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O)CC2 ZINC000787709999 1076921348 /nfs/dbraw/zinc/92/13/48/1076921348.db2.gz ZJHYRRAXJZNQRU-KNQAVFIVSA-N 1 1 406.523 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C[N@@H+](CCOc1cccc(CNC(=O)c2cnc(Cl)cn2)c1)C1CCOCC1 ZINC000787886209 1076978033 /nfs/dbraw/zinc/97/80/33/1076978033.db2.gz KDISJWYEKNESPN-UHFFFAOYSA-N 1 1 404.898 2.550 20 0 HFADMO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000787907815 1076990366 /nfs/dbraw/zinc/99/03/66/1076990366.db2.gz BAUWNILEXGFTRD-HSALFYBXSA-N 1 1 403.567 2.753 20 0 HFADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)C1 ZINC000787908074 1076990391 /nfs/dbraw/zinc/99/03/91/1076990391.db2.gz GWXVZNBERCJXJO-DENIHFKCSA-N 1 1 415.578 2.899 20 0 HFADMO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000787913634 1076992727 /nfs/dbraw/zinc/99/27/27/1076992727.db2.gz WVNQQFMUVZMEBF-PZJWPPBQSA-N 1 1 403.567 2.505 20 0 HFADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000787901299 1077004677 /nfs/dbraw/zinc/00/46/77/1077004677.db2.gz BMMGHQJRHBGLHH-GUDVDZBRSA-N 1 1 421.607 2.933 20 0 HFADMO 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COc1c(C)c2c(c(O)c1C/C=C(/C)CCC(=O)NC1C[NH+](C(C)C)C1)C(=O)OC2 ZINC000788154276 1077070266 /nfs/dbraw/zinc/07/02/66/1077070266.db2.gz LRSHBGOLHAEAJM-NSIKDUERSA-N 1 1 416.518 2.857 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000746742956 1077114943 /nfs/dbraw/zinc/11/49/43/1077114943.db2.gz ATJMEXGJWNORGU-LSDHHAIUSA-N 1 1 401.442 2.738 20 0 HFADMO Cn1cncc1[C@H]1CC(=O)N(C[NH+]2CCC(COc3ccc(Cl)nc3)CC2)C1 ZINC000788366060 1077127841 /nfs/dbraw/zinc/12/78/41/1077127841.db2.gz LBPOWBUOALXXCX-INIZCTEOSA-N 1 1 403.914 2.533 20 0 HFADMO Cn1cc(-c2ccc(=O)n(C[NH2+]C(C)(C)c3ccc(Br)cc3)n2)cn1 ZINC000788368813 1077129904 /nfs/dbraw/zinc/12/99/04/1077129904.db2.gz PZIBIFSNNUKXFW-UHFFFAOYSA-N 1 1 402.296 2.889 20 0 HFADMO C[C@@H](C[NH+]1CCOCC1)N(C)Cn1nc(-c2ccco2)n(Cc2ccco2)c1=S ZINC000788379695 1077135381 /nfs/dbraw/zinc/13/53/81/1077135381.db2.gz ZCDHPSXPUGTHJN-INIZCTEOSA-N 1 1 417.535 2.925 20 0 HFADMO Cn1c(=S)n(CN2CCC(c3[nH+]cc4n3CCCC4)CC2)nc1-c1cnccn1 ZINC000788382200 1077137116 /nfs/dbraw/zinc/13/71/16/1077137116.db2.gz KIIWFAMRQIGMJM-UHFFFAOYSA-N 1 1 410.551 2.778 20 0 HFADMO COC(=O)c1ccc2c(c1)C(=O)N(CN1CCC(c3[nH+]cc4n3CCCC4)CC1)C2 ZINC000788383004 1077137514 /nfs/dbraw/zinc/13/75/14/1077137514.db2.gz SFGDVPCPKGHDBP-UHFFFAOYSA-N 1 1 408.502 2.799 20 0 HFADMO CC(C)(C)OC(=O)NC(C)(C)c1noc(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)n1 ZINC000788469964 1077169942 /nfs/dbraw/zinc/16/99/42/1077169942.db2.gz STJXZMWAQCGURT-HOTGVXAUSA-N 1 1 423.558 2.562 20 0 HFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000788476483 1077172497 /nfs/dbraw/zinc/17/24/97/1077172497.db2.gz QBTABQNWFIHBRS-RTBURBONSA-N 1 1 410.603 2.556 20 0 HFADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCCSC(F)(F)F ZINC000788543302 1077194657 /nfs/dbraw/zinc/19/46/57/1077194657.db2.gz STNYKLRNVKYDMN-MRXNPFEDSA-N 1 1 417.497 2.726 20 0 HFADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000788648862 1077225084 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ZGOCUCJPCSLJFC-ROUUACIJSA-N 1 1 411.468 2.768 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000788777738 1077298605 /nfs/dbraw/zinc/29/86/05/1077298605.db2.gz LORQLLKQQVDNQV-BZUAXINKSA-N 1 1 413.349 2.735 20 0 HFADMO COc1cccc(-c2nc(C)c(C(=O)O[C@H]3CCCN(c4cc[nH+]c(N)n4)C3)[nH]2)c1 ZINC000791105860 1077300285 /nfs/dbraw/zinc/30/02/85/1077300285.db2.gz FDOFYDDWPPXNPL-INIZCTEOSA-N 1 1 408.462 2.592 20 0 HFADMO CN(C(=O)OC(C)(C)C)[C@H](C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)c1cnn(C)c1 ZINC000791148099 1077308536 /nfs/dbraw/zinc/30/85/36/1077308536.db2.gz ZXUFUUHSTGQQLF-SJORKVTESA-N 1 1 407.559 2.565 20 0 HFADMO CC(C)(C)C(=O)Nc1ccnc(NCCOC(F)(F)F)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001157391367 1077315288 /nfs/dbraw/zinc/31/52/88/1077315288.db2.gz ZBPKPISICVZRQL-CYBMUJFWSA-N 1 1 418.460 2.829 20 0 HFADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000788851078 1077320147 /nfs/dbraw/zinc/32/01/47/1077320147.db2.gz SKASYAWTXVXUFX-PXNSSMCTSA-N 1 1 418.538 2.702 20 0 HFADMO C[C@H](NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000788914349 1077351778 /nfs/dbraw/zinc/35/17/78/1077351778.db2.gz FILXJFMYCIJSFU-KRWDZBQOSA-N 1 1 402.539 2.627 20 0 HFADMO C[C@H](NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000788914349 1077351780 /nfs/dbraw/zinc/35/17/80/1077351780.db2.gz FILXJFMYCIJSFU-KRWDZBQOSA-N 1 1 402.539 2.627 20 0 HFADMO CC(C)N(CCCNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)C(=O)OC(C)(C)C ZINC000788967054 1077366027 /nfs/dbraw/zinc/36/60/27/1077366027.db2.gz WSYNHYNNZGYVBM-UHFFFAOYSA-N 1 1 414.591 2.774 20 0 HFADMO CC(C)N(CCCNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C(=O)OC(C)(C)C ZINC000788967054 1077366035 /nfs/dbraw/zinc/36/60/35/1077366035.db2.gz WSYNHYNNZGYVBM-UHFFFAOYSA-N 1 1 414.591 2.774 20 0 HFADMO Cc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CCN(c4c(C)cc(C)cc4C)C3=O)CC2)c1 ZINC000788934355 1077368285 /nfs/dbraw/zinc/36/82/85/1077368285.db2.gz WGAONGMMJFTFRM-FQEVSTJZSA-N 1 1 421.545 2.952 20 0 HFADMO COC(=O)[C@@]1(NC(=O)C[C@@H](O)c2cccc(F)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000772771928 1077372247 /nfs/dbraw/zinc/37/22/47/1077372247.db2.gz DOMYXTYTMLUSQT-NFBKMPQASA-N 1 1 414.477 2.573 20 0 HFADMO C[C@H](NC(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1)C1([NH+]2CCOCC2)CCCC1 ZINC000791371250 1077385246 /nfs/dbraw/zinc/38/52/46/1077385246.db2.gz IXQOEXXMILGKFO-KSSFIOAISA-N 1 1 407.461 2.608 20 0 HFADMO O=C(NCc1c[nH+]c2n1CCCC2)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC000791388978 1077396243 /nfs/dbraw/zinc/39/62/43/1077396243.db2.gz JSETVLHBOBBMKI-NRFANRHFSA-N 1 1 400.454 2.586 20 0 HFADMO O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NCc1c[nH+]c2n1CCCC2 ZINC000791387726 1077396352 /nfs/dbraw/zinc/39/63/52/1077396352.db2.gz BSFKQJUCOCYNJO-UHFFFAOYSA-N 1 1 419.510 2.974 20 0 HFADMO Cc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)c3c[nH]nc3-c3ccoc3)CC2)cc1 ZINC000789075345 1077397498 /nfs/dbraw/zinc/39/74/98/1077397498.db2.gz BIJQQFYXRYEWJA-UHFFFAOYSA-N 1 1 422.485 2.869 20 0 HFADMO Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)c3cc(C(C)C)n(C)n3)CC2)cc1 ZINC000747011927 1077417517 /nfs/dbraw/zinc/41/75/17/1077417517.db2.gz KCHWJYODOHLYRO-UHFFFAOYSA-N 1 1 412.534 2.743 20 0 HFADMO CCOC(=O)C1(CC(=O)OCC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)CCC1 ZINC000789190355 1077453700 /nfs/dbraw/zinc/45/37/00/1077453700.db2.gz WNRZDADISJAKAK-SFHVURJKSA-N 1 1 416.518 2.559 20 0 HFADMO CSCc1noc(CCC(=O)N2CC[NH+](Cc3cccc4cccnc43)CC2)n1 ZINC000746796501 1077473385 /nfs/dbraw/zinc/47/33/85/1077473385.db2.gz QEVIFCPLWPYHCX-UHFFFAOYSA-N 1 1 411.531 2.758 20 0 HFADMO C[NH+]1CCN(c2ccc(NC(=O)CCc3ccccc3C(N)=O)cc2Cl)CC1 ZINC000791552762 1077475568 /nfs/dbraw/zinc/47/55/68/1077475568.db2.gz KHRINCOILQQWQQ-UHFFFAOYSA-N 1 1 400.910 2.762 20 0 HFADMO C[C@@H](OC(=O)c1cn(C)nc1-c1ccoc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000789262343 1077487684 /nfs/dbraw/zinc/48/76/84/1077487684.db2.gz UMAPVCRMZDMAGM-APWZRJJASA-N 1 1 422.485 2.616 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C(C)C)C2)c1 ZINC000791623493 1077491332 /nfs/dbraw/zinc/49/13/32/1077491332.db2.gz MKJPCHGPRARGCM-XFQAVAEZSA-N 1 1 401.507 2.671 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@@H]3CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000791596145 1077496781 /nfs/dbraw/zinc/49/67/81/1077496781.db2.gz YTEDWRUSHCZFFC-FDDCHVKYSA-N 1 1 423.513 2.978 20 0 HFADMO COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cn1 ZINC001086600277 1077506149 /nfs/dbraw/zinc/50/61/49/1077506149.db2.gz LIPPVCCPPPEXQC-CJIGKZKRSA-N 1 1 419.525 2.598 20 0 HFADMO C[C@H](OC(=O)[C@@H]1CC(=O)c2ccccc21)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000789306126 1077507918 /nfs/dbraw/zinc/50/79/18/1077507918.db2.gz CAMXWZFYSWJMLA-YRISNDGFSA-N 1 1 406.482 2.679 20 0 HFADMO CC(C)[NH+]1CCC(NC(=O)CN2CCC(COc3ccc(Cl)nc3)CC2)CC1 ZINC000789315268 1077510576 /nfs/dbraw/zinc/51/05/76/1077510576.db2.gz QJVOJVKPCIYGBO-UHFFFAOYSA-N 1 1 408.974 2.815 20 0 HFADMO CSCc1nc2ccccc2n1CC(=O)OCCC[NH+]1CCN(C(C)C)CC1 ZINC000791629314 1077519102 /nfs/dbraw/zinc/51/91/02/1077519102.db2.gz NSAPMJPXLSCMPX-UHFFFAOYSA-N 1 1 404.580 2.859 20 0 HFADMO COC(=O)[C@]1(NC(=O)c2cc3nccnc3cc2F)CCC[N@H+](Cc2ccccc2)C1 ZINC000791633300 1077520192 /nfs/dbraw/zinc/52/01/92/1077520192.db2.gz IHNSASCPNQICRX-QHCPKHFHSA-N 1 1 422.460 2.707 20 0 HFADMO COC(=O)[C@]1(NC(=O)c2cc3nccnc3cc2F)CCC[N@@H+](Cc2ccccc2)C1 ZINC000791633300 1077520195 /nfs/dbraw/zinc/52/01/95/1077520195.db2.gz IHNSASCPNQICRX-QHCPKHFHSA-N 1 1 422.460 2.707 20 0 HFADMO CN(C)C(=O)CNC(=S)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000789326437 1077521555 /nfs/dbraw/zinc/52/15/55/1077521555.db2.gz YLUVIJSZFCMUGO-AWEZNQCLSA-N 1 1 424.920 2.818 20 0 HFADMO CN(C)C(=O)CNC(=S)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000789326437 1077521557 /nfs/dbraw/zinc/52/15/57/1077521557.db2.gz YLUVIJSZFCMUGO-AWEZNQCLSA-N 1 1 424.920 2.818 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000791682479 1077526741 /nfs/dbraw/zinc/52/67/41/1077526741.db2.gz SAPXMFHSSUKXFK-UHFFFAOYSA-N 1 1 422.469 2.553 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc3ccccc3)C2)c1 ZINC000791690438 1077529146 /nfs/dbraw/zinc/52/91/46/1077529146.db2.gz OBPLPPWWJGACSN-OPAMFIHVSA-N 1 1 411.502 2.834 20 0 HFADMO CC[C@@H]1CCc2nc(NC(=O)C(=O)NCc3ccc(-n4cc[nH+]c4C)nc3)sc2C1 ZINC000789383310 1077531025 /nfs/dbraw/zinc/53/10/25/1077531025.db2.gz VXVIVFBQYOJSAU-CQSZACIVSA-N 1 1 424.530 2.802 20 0 HFADMO COc1ccc(C)cc1CNC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000789393312 1077536221 /nfs/dbraw/zinc/53/62/21/1077536221.db2.gz OMSYVWFOIZHWBD-DEOSSOPVSA-N 1 1 409.530 2.648 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000789361688 1077538181 /nfs/dbraw/zinc/53/81/81/1077538181.db2.gz CALLSRJZZICHTI-OAHLLOKOSA-N 1 1 400.479 2.501 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000789364112 1077538465 /nfs/dbraw/zinc/53/84/65/1077538465.db2.gz MNFFCOAHKSPKLL-YWZLYKJASA-N 1 1 418.515 2.773 20 0 HFADMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000789364112 1077538474 /nfs/dbraw/zinc/53/84/74/1077538474.db2.gz MNFFCOAHKSPKLL-YWZLYKJASA-N 1 1 418.515 2.773 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000789365468 1077540073 /nfs/dbraw/zinc/54/00/73/1077540073.db2.gz RNXRMLIQEGUEJB-OXQOHEQNSA-N 1 1 409.486 2.756 20 0 HFADMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000789365468 1077540078 /nfs/dbraw/zinc/54/00/78/1077540078.db2.gz RNXRMLIQEGUEJB-OXQOHEQNSA-N 1 1 409.486 2.756 20 0 HFADMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OCc3cccnc3)cc2)C1 ZINC000746804617 1077546415 /nfs/dbraw/zinc/54/64/15/1077546415.db2.gz XBWCENZTMHSBGW-FQEVSTJZSA-N 1 1 422.529 2.789 20 0 HFADMO Cc1cc(F)cc(-n2cc(C(=O)O[C@@H]3CCCN(c4cc(C)[nH+]c(C)n4)C3)nn2)c1 ZINC000789422718 1077552816 /nfs/dbraw/zinc/55/28/16/1077552816.db2.gz KSUVXZAZFKUHOH-GOSISDBHSA-N 1 1 410.453 2.947 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000791821755 1077562656 /nfs/dbraw/zinc/56/26/56/1077562656.db2.gz DHBOGDCSUWYIKE-JPYJTQIMSA-N 1 1 423.513 2.835 20 0 HFADMO Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000791829122 1077576662 /nfs/dbraw/zinc/57/66/62/1077576662.db2.gz VFMBEPPFVHMJOX-BOURKTIISA-N 1 1 420.492 2.757 20 0 HFADMO CS(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1Cl ZINC000791828680 1077576889 /nfs/dbraw/zinc/57/68/89/1077576889.db2.gz OLUOFRYQFHNOSM-INIZCTEOSA-N 1 1 406.935 2.995 20 0 HFADMO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000746823640 1077594281 /nfs/dbraw/zinc/59/42/81/1077594281.db2.gz CIHHJHZKJHQDDX-KRWDZBQOSA-N 1 1 405.539 2.638 20 0 HFADMO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CN1C[C@H](COc2cc(C)cc(C)c2)OC1=O ZINC000789521246 1077615006 /nfs/dbraw/zinc/61/50/06/1077615006.db2.gz SSWCLEQSBBDRMY-AZUAARDMSA-N 1 1 403.523 2.841 20 0 HFADMO CCNC(=O)C[C@@H]1CCCC[N@H+]1CN1C[C@H](COc2cc(C)cc(C)c2)OC1=O ZINC000789521246 1077615008 /nfs/dbraw/zinc/61/50/08/1077615008.db2.gz SSWCLEQSBBDRMY-AZUAARDMSA-N 1 1 403.523 2.841 20 0 HFADMO CCNC(=O)C[C@H]1CCCC[N@@H+]1CN1C[C@@H](COc2cc(C)cc(C)c2)OC1=O ZINC000789521253 1077615135 /nfs/dbraw/zinc/61/51/35/1077615135.db2.gz SSWCLEQSBBDRMY-QUCCMNQESA-N 1 1 403.523 2.841 20 0 HFADMO CCNC(=O)C[C@H]1CCCC[N@H+]1CN1C[C@@H](COc2cc(C)cc(C)c2)OC1=O ZINC000789521253 1077615137 /nfs/dbraw/zinc/61/51/37/1077615137.db2.gz SSWCLEQSBBDRMY-QUCCMNQESA-N 1 1 403.523 2.841 20 0 HFADMO O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000789538397 1077633381 /nfs/dbraw/zinc/63/33/81/1077633381.db2.gz BCHKWKYMVCKTQO-HSZRJFAPSA-N 1 1 405.498 2.942 20 0 HFADMO O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000789538397 1077633385 /nfs/dbraw/zinc/63/33/85/1077633385.db2.gz BCHKWKYMVCKTQO-HSZRJFAPSA-N 1 1 405.498 2.942 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000792057013 1077664074 /nfs/dbraw/zinc/66/40/74/1077664074.db2.gz LSUGZUSFBOGVRX-MBSDFSHPSA-N 1 1 423.513 2.978 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000792074546 1077681531 /nfs/dbraw/zinc/68/15/31/1077681531.db2.gz JDDTZNWXFLLLKV-VWPFQQQWSA-N 1 1 412.303 2.607 20 0 HFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)C2)c1 ZINC000792035194 1077686774 /nfs/dbraw/zinc/68/67/74/1077686774.db2.gz XSUGUBFSCXQGQL-QHCPKHFHSA-N 1 1 423.513 2.931 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2cccc(NC(=O)C3CC3)c2)CC1 ZINC000792049922 1077694725 /nfs/dbraw/zinc/69/47/25/1077694725.db2.gz CDWMOUGDVJVEBO-UHFFFAOYSA-N 1 1 416.522 2.916 20 0 HFADMO C[N@H+](Cc1ccccc1OCC(=O)NCC1CC1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789593679 1077701445 /nfs/dbraw/zinc/70/14/45/1077701445.db2.gz FYIGRELHQLVKJC-QFIPXVFZSA-N 1 1 421.541 2.825 20 0 HFADMO C[N@@H+](Cc1ccccc1OCC(=O)NCC1CC1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789593679 1077701446 /nfs/dbraw/zinc/70/14/46/1077701446.db2.gz FYIGRELHQLVKJC-QFIPXVFZSA-N 1 1 421.541 2.825 20 0 HFADMO C[N@H+](Cc1ccccc1OCC(=O)N1CCCC1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789594433 1077701822 /nfs/dbraw/zinc/70/18/22/1077701822.db2.gz MUTQIGNDJZOCLO-QFIPXVFZSA-N 1 1 421.541 2.921 20 0 HFADMO C[N@@H+](Cc1ccccc1OCC(=O)N1CCCC1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789594433 1077701830 /nfs/dbraw/zinc/70/18/30/1077701830.db2.gz MUTQIGNDJZOCLO-QFIPXVFZSA-N 1 1 421.541 2.921 20 0 HFADMO C[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H](c2ccccc2)O1 ZINC000792086958 1077710613 /nfs/dbraw/zinc/71/06/13/1077710613.db2.gz XDKVLHDDCRFFLV-ICSRJNTNSA-N 1 1 417.550 2.918 20 0 HFADMO O=C(NCc1nnc(-c2ccccc2)[nH]1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792097818 1077713812 /nfs/dbraw/zinc/71/38/12/1077713812.db2.gz DUEDRIGOUNJLAH-BGYRXZFFSA-N 1 1 402.502 2.745 20 0 HFADMO O=C(NCc1n[nH]c(-c2ccccc2)n1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792097818 1077713818 /nfs/dbraw/zinc/71/38/18/1077713818.db2.gz DUEDRIGOUNJLAH-BGYRXZFFSA-N 1 1 402.502 2.745 20 0 HFADMO O=C(NCc1n[nH]c(-c2ccccc2)n1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792097818 1077713822 /nfs/dbraw/zinc/71/38/22/1077713822.db2.gz DUEDRIGOUNJLAH-BGYRXZFFSA-N 1 1 402.502 2.745 20 0 HFADMO O=C(NCc1nc(-c2ccccc2)n[nH]1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792097818 1077713827 /nfs/dbraw/zinc/71/38/27/1077713827.db2.gz DUEDRIGOUNJLAH-BGYRXZFFSA-N 1 1 402.502 2.745 20 0 HFADMO O=C(NCc1nc(-c2ccccc2)n[nH]1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792097818 1077713833 /nfs/dbraw/zinc/71/38/33/1077713833.db2.gz DUEDRIGOUNJLAH-BGYRXZFFSA-N 1 1 402.502 2.745 20 0 HFADMO CN1CCCc2cc(NC(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)ccc21 ZINC000792157084 1077725729 /nfs/dbraw/zinc/72/57/29/1077725729.db2.gz BBLGNYMOEFSZEJ-UHFFFAOYSA-N 1 1 402.539 2.950 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)c2c(N)ccc(Br)c2F)CC1 ZINC000792159383 1077726206 /nfs/dbraw/zinc/72/62/06/1077726206.db2.gz XMUPRHTUAUJYGX-UHFFFAOYSA-N 1 1 402.308 2.743 20 0 HFADMO CC/C(=C/C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)c1ccc(OC)cc1 ZINC000746848345 1077737503 /nfs/dbraw/zinc/73/75/03/1077737503.db2.gz ZAVKTYQOCUAVNQ-ZZEZOPTASA-N 1 1 413.562 2.891 20 0 HFADMO CC(C)N1CC[NH+](CCCOC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000792182997 1077737671 /nfs/dbraw/zinc/73/76/71/1077737671.db2.gz KRQUGZOWKCIJJX-NRFANRHFSA-N 1 1 417.550 2.604 20 0 HFADMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000746842738 1077738241 /nfs/dbraw/zinc/73/82/41/1077738241.db2.gz YYEAQUJXRABKIF-QAPCUYQASA-N 1 1 418.538 2.578 20 0 HFADMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000746842738 1077738248 /nfs/dbraw/zinc/73/82/48/1077738248.db2.gz YYEAQUJXRABKIF-QAPCUYQASA-N 1 1 418.538 2.578 20 0 HFADMO COc1cc(Br)c(N)c(C(=O)OCCC[NH+]2CCN(C(C)C)CC2)c1 ZINC000792187096 1077738585 /nfs/dbraw/zinc/73/85/85/1077738585.db2.gz DLYHYJUABHMZCZ-UHFFFAOYSA-N 1 1 414.344 2.613 20 0 HFADMO COc1ccccc1[C@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792193903 1077740114 /nfs/dbraw/zinc/74/01/14/1077740114.db2.gz LRWUWCKSQBVRMP-SFHVURJKSA-N 1 1 417.550 2.954 20 0 HFADMO COc1cccc(F)c1[C@@H](C)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792201044 1077744001 /nfs/dbraw/zinc/74/40/01/1077744001.db2.gz REMPUHUMZDYMCY-OAHLLOKOSA-N 1 1 409.502 2.954 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N[C@H]2COc3c2cccc3Cl)CC1 ZINC000792223808 1077749449 /nfs/dbraw/zinc/74/94/49/1077749449.db2.gz QPFYPIJRDBXHIA-INIZCTEOSA-N 1 1 409.914 2.833 20 0 HFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCO[C@@H](c3cccs3)C2)CC1 ZINC000792227510 1077752359 /nfs/dbraw/zinc/75/23/59/1077752359.db2.gz XHLUNFQUKFSYOH-MRXNPFEDSA-N 1 1 409.552 2.591 20 0 HFADMO CN(C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000792230643 1077754073 /nfs/dbraw/zinc/75/40/73/1077754073.db2.gz NQKGUPJIQGEXDR-DHIUTWEWSA-N 1 1 420.557 2.951 20 0 HFADMO COc1ccc(CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1Cl ZINC000792238385 1077759594 /nfs/dbraw/zinc/75/95/94/1077759594.db2.gz RMPIAWXLIFCLEG-UHFFFAOYSA-N 1 1 411.930 2.908 20 0 HFADMO CCC[C@@H]1CN(C[C@@H]2CC3(CCC3)C(=O)O2)CC[N@H+]1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792255300 1077781799 /nfs/dbraw/zinc/78/17/99/1077781799.db2.gz POVQECCHIRYQRF-QYZOEREBSA-N 1 1 404.551 2.744 20 0 HFADMO CCC[C@@H]1C[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)CCN1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792255300 1077781808 /nfs/dbraw/zinc/78/18/08/1077781808.db2.gz POVQECCHIRYQRF-QYZOEREBSA-N 1 1 404.551 2.744 20 0 HFADMO CCC[C@@H]1C[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)CCN1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792255300 1077781814 /nfs/dbraw/zinc/78/18/14/1077781814.db2.gz POVQECCHIRYQRF-QYZOEREBSA-N 1 1 404.551 2.744 20 0 HFADMO CC[C@H](C)[C@@H]1CN(C[C@H]2CC3(CCC3)C(=O)O2)CC[N@H+]1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792260159 1077784774 /nfs/dbraw/zinc/78/47/74/1077784774.db2.gz NDDURUQEAGEJCY-NMLBUPMWSA-N 1 1 418.578 2.990 20 0 HFADMO CC[C@H](C)[C@@H]1C[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)CCN1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792260159 1077784782 /nfs/dbraw/zinc/78/47/82/1077784782.db2.gz NDDURUQEAGEJCY-NMLBUPMWSA-N 1 1 418.578 2.990 20 0 HFADMO CC[C@H](C)[C@@H]1C[N@@H+](C[C@H]2CC3(CCC3)C(=O)O2)CCN1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792260159 1077784792 /nfs/dbraw/zinc/78/47/92/1077784792.db2.gz NDDURUQEAGEJCY-NMLBUPMWSA-N 1 1 418.578 2.990 20 0 HFADMO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000746853370 1077786273 /nfs/dbraw/zinc/78/62/73/1077786273.db2.gz UTMIGKAEPOORJK-DLBZAZTESA-N 1 1 424.611 2.656 20 0 HFADMO CC(=O)OCCc1cccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792303562 1077796766 /nfs/dbraw/zinc/79/67/66/1077796766.db2.gz NOESDAXPLIZFJZ-UHFFFAOYSA-N 1 1 419.522 2.674 20 0 HFADMO CC(C)(C)OC(=O)N1CCC[N@H+](CCOC(=O)/C=C/c2ccc3c(c2)OCO3)CC1 ZINC000789792282 1077797913 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/nfs/dbraw/zinc/87/63/33/1077876333.db2.gz XXICBFZGKOGKEG-HSZRJFAPSA-N 1 1 404.514 2.618 20 0 HFADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)c3cncc(Cl)n3)CC2)c1C ZINC000789975078 1077878899 /nfs/dbraw/zinc/87/88/99/1077878899.db2.gz PPNYXBQSFJVCAX-UHFFFAOYSA-N 1 1 403.914 2.887 20 0 HFADMO CC[N@@H+](CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)C[C@H](O)c1ccc(C)cc1 ZINC000772798032 1077900054 /nfs/dbraw/zinc/90/00/54/1077900054.db2.gz MOKBBDZRXCOXAF-QFIPXVFZSA-N 1 1 424.545 2.727 20 0 HFADMO CC[N@H+](CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)C[C@H](O)c1ccc(C)cc1 ZINC000772798032 1077900055 /nfs/dbraw/zinc/90/00/55/1077900055.db2.gz MOKBBDZRXCOXAF-QFIPXVFZSA-N 1 1 424.545 2.727 20 0 HFADMO CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000772798684 1077904813 /nfs/dbraw/zinc/90/48/13/1077904813.db2.gz MVRSSSBHVRFFAO-QGZVFWFLSA-N 1 1 407.511 2.690 20 0 HFADMO CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001626112220 1077905211 /nfs/dbraw/zinc/90/52/11/1077905211.db2.gz YRUGMRJTDKWPAT-SFHVURJKSA-N 1 1 415.559 2.973 20 0 HFADMO Cc1c[nH+]ccc1OC1CCN(C(=O)CCC(=O)N2CCOc3ccccc32)CC1 ZINC000772800513 1077905289 /nfs/dbraw/zinc/90/52/89/1077905289.db2.gz VSMGLVSHSIJWSQ-UHFFFAOYSA-N 1 1 409.486 2.966 20 0 HFADMO C[C@H](OC(=O)c1ccc2cncn2c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000792565811 1077905522 /nfs/dbraw/zinc/90/55/22/1077905522.db2.gz QXLNWXBWMQVGMP-KRWDZBQOSA-N 1 1 406.486 2.660 20 0 HFADMO CCC[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@H](O)c1ccccc1 ZINC000792567735 1077906955 /nfs/dbraw/zinc/90/69/55/1077906955.db2.gz QEWRAGICLBFBFF-TZIWHRDSSA-N 1 1 419.566 2.948 20 0 HFADMO CCC[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](O)c1ccccc1 ZINC000792567422 1077907454 /nfs/dbraw/zinc/90/74/54/1077907454.db2.gz QEWRAGICLBFBFF-CTNGQTDRSA-N 1 1 419.566 2.948 20 0 HFADMO CC[C@H]1C[C@H]([N@H+]2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)CCO1 ZINC001170227962 1077917715 /nfs/dbraw/zinc/91/77/15/1077917715.db2.gz RAUZTBHXOIVDEF-MOPGFXCFSA-N 1 1 403.548 2.889 20 0 HFADMO C[C@H](Cc1ccccc1Cl)[N@H+]1C[C@H](C(=O)N2CCOCC2)C2(C1)CCOCC2 ZINC001170275617 1077926551 /nfs/dbraw/zinc/92/65/51/1077926551.db2.gz HXQUEMBEQDKGBF-IEBWSBKVSA-N 1 1 406.954 2.858 20 0 HFADMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)C[C@H]1C ZINC000790051266 1077931529 /nfs/dbraw/zinc/93/15/29/1077931529.db2.gz DETRTSXWAFPJMC-KNQAVFIVSA-N 1 1 414.594 2.667 20 0 HFADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000790052767 1077931830 /nfs/dbraw/zinc/93/18/30/1077931830.db2.gz KYIQFEPUSAUEHE-OAQYLSRUSA-N 1 1 414.594 2.572 20 0 HFADMO O=C(N1C[C@@H]2C[N@H+](CCCN3CCN(c4ccccc4)CC3)CC[C@@H]2C1)C(F)(F)F ZINC001170280612 1077936560 /nfs/dbraw/zinc/93/65/60/1077936560.db2.gz MKVGLGFQHGXGJE-MOPGFXCFSA-N 1 1 424.511 2.541 20 0 HFADMO C[C@@H](Cc1ccccc1Cl)[N@H+]1CC[C@H]2CO[C@H](CNC(=O)c3cnn(C)c3)[C@H]2C1 ZINC001170285712 1077937657 /nfs/dbraw/zinc/93/76/57/1077937657.db2.gz UQGNPCPGAXGUOW-WRGRXTPVSA-N 1 1 416.953 2.771 20 0 HFADMO CCCC[N@@H+](CC(=O)Nc1cc(-n2cnnn2)ccc1F)[C@@H]1CCCC[C@H]1OC ZINC001170290520 1077938762 /nfs/dbraw/zinc/93/87/62/1077938762.db2.gz NGVBNFKQVHTLGK-RTBURBONSA-N 1 1 404.490 2.800 20 0 HFADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)c3cc(Cl)nc(N(C)C)c3)n2)c1C ZINC000790163231 1077963639 /nfs/dbraw/zinc/96/36/39/1077963639.db2.gz ZPVOTWFURSEBKT-UHFFFAOYSA-N 1 1 415.885 2.714 20 0 HFADMO CCOc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1OC ZINC001170412692 1077967133 /nfs/dbraw/zinc/96/71/33/1077967133.db2.gz SWICTAGDCCOLNQ-IAGOWNOFSA-N 1 1 419.566 2.885 20 0 HFADMO O=S(=O)(C[C@H]1CCCOC1)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000792765544 1077988269 /nfs/dbraw/zinc/98/82/69/1077988269.db2.gz QBDFFIWUECBFCQ-RDJZCZTQSA-N 1 1 406.470 2.626 20 0 HFADMO O=S(=O)(C[C@H]1CCCOC1)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000792765544 1077988271 /nfs/dbraw/zinc/98/82/71/1077988271.db2.gz QBDFFIWUECBFCQ-RDJZCZTQSA-N 1 1 406.470 2.626 20 0 HFADMO CC(C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CSCCS1 ZINC001691696704 1077989170 /nfs/dbraw/zinc/98/91/70/1077989170.db2.gz ZKSFUMORXCWBAK-IXDOHACOSA-N 1 1 413.657 2.796 20 0 HFADMO CC(C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CSCCS1 ZINC001691696704 1077989172 /nfs/dbraw/zinc/98/91/72/1077989172.db2.gz ZKSFUMORXCWBAK-IXDOHACOSA-N 1 1 413.657 2.796 20 0 HFADMO CCC1=C(C(=O)Nc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)CCCO1 ZINC000790330395 1077998682 /nfs/dbraw/zinc/99/86/82/1077998682.db2.gz DWVBUHVFOGESIG-UHFFFAOYSA-N 1 1 405.470 2.900 20 0 HFADMO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000792825451 1078006072 /nfs/dbraw/zinc/00/60/72/1078006072.db2.gz VRBWFEOKMZBRMV-QGZVFWFLSA-N 1 1 409.571 2.783 20 0 HFADMO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000792825450 1078006152 /nfs/dbraw/zinc/00/61/52/1078006152.db2.gz VRBWFEOKMZBRMV-KRWDZBQOSA-N 1 1 409.571 2.783 20 0 HFADMO CC(C)Oc1ncccc1C(=O)OCC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000792831424 1078007540 /nfs/dbraw/zinc/00/75/40/1078007540.db2.gz FNXGZHHBMLPZBE-SFHVURJKSA-N 1 1 411.502 2.931 20 0 HFADMO O[C@H](C[C@H]1COCCN1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccco1 ZINC000792873453 1078009631 /nfs/dbraw/zinc/00/96/31/1078009631.db2.gz SYNLGAVHWFVIEJ-BHDDXSALSA-N 1 1 400.519 2.695 20 0 HFADMO C[C@@H](CNC(=O)N(CCO)Cc1cccnc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000792861801 1078010819 /nfs/dbraw/zinc/01/08/19/1078010819.db2.gz ALVZDINUVONIRO-INIZCTEOSA-N 1 1 402.926 2.686 20 0 HFADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000792863920 1078010976 /nfs/dbraw/zinc/01/09/76/1078010976.db2.gz VVFTXGADTQURSW-OFNKIYASSA-N 1 1 417.550 2.508 20 0 HFADMO C[C@@H]1C[N@H+](CCCNC(=O)[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)C[C@H](C)O1 ZINC000792914675 1078024331 /nfs/dbraw/zinc/02/43/31/1078024331.db2.gz SDQNTEXRLBHTDZ-YYDVJCTNSA-N 1 1 417.550 2.651 20 0 HFADMO COc1cc(CNC(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc(OC)c1OC ZINC000792913964 1078024510 /nfs/dbraw/zinc/02/45/10/1078024510.db2.gz WATRDBZXSQEIOT-MAUKXSAKSA-N 1 1 417.333 2.844 20 0 HFADMO COc1cc(CNC(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc(OC)c1OC ZINC000792913964 1078024515 /nfs/dbraw/zinc/02/45/15/1078024515.db2.gz WATRDBZXSQEIOT-MAUKXSAKSA-N 1 1 417.333 2.844 20 0 HFADMO O=C([C@H]1COCCN1C1CCCC1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000792917425 1078025404 /nfs/dbraw/zinc/02/54/04/1078025404.db2.gz GRPVINHXYLRXEX-JOCHJYFZSA-N 1 1 408.546 2.522 20 0 HFADMO CN(C[C@@H]1C[C@H](F)C[N@@H+]1C[C@H](O)COCc1cccs1)C(=O)OC(C)(C)C ZINC000792920881 1078026328 /nfs/dbraw/zinc/02/63/28/1078026328.db2.gz GHCPFNADLISTHA-JYJNAYRXSA-N 1 1 402.532 2.905 20 0 HFADMO CN(C[C@@H]1C[C@H](F)C[N@H+]1C[C@H](O)COCc1cccs1)C(=O)OC(C)(C)C ZINC000792920881 1078026333 /nfs/dbraw/zinc/02/63/33/1078026333.db2.gz GHCPFNADLISTHA-JYJNAYRXSA-N 1 1 402.532 2.905 20 0 HFADMO C[C@@H]1CN(C(=O)C[N@H+](CCNC(=O)OC(C)(C)C)CCc2ccccc2)C[C@@H](C)O1 ZINC000792931687 1078027853 /nfs/dbraw/zinc/02/78/53/1078027853.db2.gz RYBUYSYUXWLUSC-RTBURBONSA-N 1 1 419.566 2.692 20 0 HFADMO C[C@@H]1CN(C(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)CCc2ccccc2)C[C@@H](C)O1 ZINC000792931687 1078027857 /nfs/dbraw/zinc/02/78/57/1078027857.db2.gz RYBUYSYUXWLUSC-RTBURBONSA-N 1 1 419.566 2.692 20 0 HFADMO Cc1ccc(NC(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)nc1Br ZINC000792953273 1078033990 /nfs/dbraw/zinc/03/39/90/1078033990.db2.gz NSIRJCFMCQDBKT-UHFFFAOYSA-N 1 1 411.344 2.862 20 0 HFADMO COC(=O)c1c2cnn(C[N@H+]3CCC[C@@H](C4OCCO4)C3)c2ccc1Br ZINC000790445408 1078034265 /nfs/dbraw/zinc/03/42/65/1078034265.db2.gz ITVCYKJYZAJBPL-GFCCVEGCSA-N 1 1 424.295 2.628 20 0 HFADMO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](CN1C(=O)N[C@@](C)(C3CC3)C1=O)CC2 ZINC000790450721 1078035590 /nfs/dbraw/zinc/03/55/90/1078035590.db2.gz KFTJLHMKKHBVOB-NRFANRHFSA-N 1 1 420.554 2.778 20 0 HFADMO CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)NCC[N@@H+]2CC=CCC2)cc1 ZINC000792960912 1078036535 /nfs/dbraw/zinc/03/65/35/1078036535.db2.gz SAJZCMYPZJKFRZ-UHFFFAOYSA-N 1 1 402.539 2.815 20 0 HFADMO CC(=O)c1cc(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)ccc1Br ZINC000790456915 1078037281 /nfs/dbraw/zinc/03/72/81/1078037281.db2.gz QOTXSHWFLSPZCK-UHFFFAOYSA-N 1 1 412.309 2.663 20 0 HFADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792982691 1078039943 /nfs/dbraw/zinc/03/99/43/1078039943.db2.gz FZWXEHVSRHWNSE-HUUCEWRRSA-N 1 1 423.355 2.896 20 0 HFADMO C[C@@H]1CCSCC[N@@H+]1CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000790479276 1078041016 /nfs/dbraw/zinc/04/10/16/1078041016.db2.gz SGTPJFBXRXAMEV-LLVKDONJSA-N 1 1 412.309 2.529 20 0 HFADMO C[C@@H]1CCSCC[N@H+]1CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000790479276 1078041021 /nfs/dbraw/zinc/04/10/21/1078041021.db2.gz SGTPJFBXRXAMEV-LLVKDONJSA-N 1 1 412.309 2.529 20 0 HFADMO COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)c2ccc3nc(Cl)cnc3c2)cc1 ZINC000790480552 1078041087 /nfs/dbraw/zinc/04/10/87/1078041087.db2.gz IQDBUFMBEZDSBJ-SFHVURJKSA-N 1 1 420.922 2.873 20 0 HFADMO CCc1ccc([C@H](O)CNC(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000806309015 1079561915 /nfs/dbraw/zinc/56/19/15/1079561915.db2.gz LRUUNQRTXBUARC-VQTJNVASSA-N 1 1 416.591 2.632 20 0 HFADMO Cc1ccc(C(=O)N2[C@H](C)C[N@@H+](C)[C@@H](C)[C@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC001130586770 1079562410 /nfs/dbraw/zinc/56/24/10/1079562410.db2.gz UNHXACYWRRJZGA-FGTMMUONSA-N 1 1 407.580 2.723 20 0 HFADMO C[C@@H]1[C@H](NC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000806293265 1079579547 /nfs/dbraw/zinc/57/95/47/1079579547.db2.gz ZKUKEUACFBWZJP-AUUYWEPGSA-N 1 1 402.445 2.866 20 0 HFADMO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)CCC2 ZINC000806297475 1079587237 /nfs/dbraw/zinc/58/72/37/1079587237.db2.gz OCPTXHOARVWBCD-VQTJNVASSA-N 1 1 415.582 2.871 20 0 HFADMO Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)c12 ZINC000747325399 1079600695 /nfs/dbraw/zinc/60/06/95/1079600695.db2.gz IRELCGOMKNDRIR-QZTJIDSGSA-N 1 1 405.502 2.537 20 0 HFADMO CN(C)CC[NH+]1CCC(NC(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)CC1 ZINC000806371178 1079658007 /nfs/dbraw/zinc/65/80/07/1079658007.db2.gz HLCGCVYOTAETAP-DEOSSOPVSA-N 1 1 424.589 2.958 20 0 HFADMO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000806434513 1079682171 /nfs/dbraw/zinc/68/21/71/1079682171.db2.gz NDMXXWFUDPSSEF-PXNSSMCTSA-N 1 1 402.539 2.743 20 0 HFADMO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000806401956 1079689757 /nfs/dbraw/zinc/68/97/57/1079689757.db2.gz XXLWXXSAXQVUHE-FQEVSTJZSA-N 1 1 402.539 2.745 20 0 HFADMO Cc1noc(C)c1C(C)(C)NC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000806445391 1079715470 /nfs/dbraw/zinc/71/54/70/1079715470.db2.gz NPHWDMSKZNSGAD-UHFFFAOYSA-N 1 1 423.558 2.769 20 0 HFADMO CCOC(=O)C1CCC(O)(C[C@@H](O)C[N@@H+](C)[C@H](CO)c2ccc(Cl)cc2)CC1 ZINC001170508929 1079722688 /nfs/dbraw/zinc/72/26/88/1079722688.db2.gz YHDUSGQOWOJDMQ-HLZCYKFHSA-N 1 1 413.942 2.541 20 0 HFADMO CCN(CC)c1ccc2cc(C(=O)N3CC[N@@H+](CCOC)CC3(C)C)c(=O)oc2c1 ZINC001130635571 1079724810 /nfs/dbraw/zinc/72/48/10/1079724810.db2.gz GTQCSTZVBSCBNQ-UHFFFAOYSA-N 1 1 415.534 2.822 20 0 HFADMO Cn1[nH]cc2c(=NC(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)ccnc1-2 ZINC000806491376 1079741398 /nfs/dbraw/zinc/74/13/98/1079741398.db2.gz IZFVZJAVBYTSMK-WIYYLYMNSA-N 1 1 404.518 2.860 20 0 HFADMO Cn1[nH]cc2c(=NC(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)ccnc1-2 ZINC000806491370 1079741535 /nfs/dbraw/zinc/74/15/35/1079741535.db2.gz IZFVZJAVBYTSMK-GHTZIAJQSA-N 1 1 404.518 2.860 20 0 HFADMO Cn1[nH]cc2c(=NC(=O)N[C@H]3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)ccnc1-2 ZINC000806490712 1079742001 /nfs/dbraw/zinc/74/20/01/1079742001.db2.gz KSSDBHSAYBTGNO-HNNXBMFYSA-N 1 1 418.423 2.757 20 0 HFADMO Cc1ccc2[nH]c(CNC(=O)C(=O)NC[C@]3(C)CC[N@@H+](Cc4ccccc4)C3)nc2c1 ZINC000806494811 1079746174 /nfs/dbraw/zinc/74/61/74/1079746174.db2.gz WXDOFARZKWUPKC-DEOSSOPVSA-N 1 1 419.529 2.516 20 0 HFADMO Cc1ccc2nc(CNC(=O)C(=O)NC[C@]3(C)CC[N@H+](Cc4ccccc4)C3)[nH]c2c1 ZINC000806494811 1079746182 /nfs/dbraw/zinc/74/61/82/1079746182.db2.gz WXDOFARZKWUPKC-DEOSSOPVSA-N 1 1 419.529 2.516 20 0 HFADMO Cc1ccc2nc(CNC(=O)C(=O)NC[C@]3(C)CC[N@@H+](Cc4ccccc4)C3)[nH]c2c1 ZINC000806494811 1079746188 /nfs/dbraw/zinc/74/61/88/1079746188.db2.gz WXDOFARZKWUPKC-DEOSSOPVSA-N 1 1 419.529 2.516 20 0 HFADMO Cn1[nH]cc2c(=NC(=O)NC[C@@H]3CC[N@@H+](C)[C@H]3c3ccc(Cl)c(F)c3)ccnc1-2 ZINC000806483924 1079770479 /nfs/dbraw/zinc/77/04/79/1079770479.db2.gz VQAWNMDPMFWXJG-UGSOOPFHSA-N 1 1 416.888 2.949 20 0 HFADMO Cn1[nH]cc2c(=NC(=O)NC[C@H]3CC[N@@H+](C)[C@@H]3c3ccc(Cl)c(F)c3)ccnc1-2 ZINC000806483922 1079770649 /nfs/dbraw/zinc/77/06/49/1079770649.db2.gz VQAWNMDPMFWXJG-FZKQIMNGSA-N 1 1 416.888 2.949 20 0 HFADMO C[C@@H](NC(=O)NCCS(=O)(=O)Cc1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000806538766 1079776858 /nfs/dbraw/zinc/77/68/58/1079776858.db2.gz SPSNVVMCPXIRAI-YLJYHZDGSA-N 1 1 403.548 2.592 20 0 HFADMO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCS(=O)(=O)Cc1ccccc1)[NH+](C)C ZINC000806538652 1079777323 /nfs/dbraw/zinc/77/73/23/1079777323.db2.gz OXSXVZLZOHTVPI-NQIIRXRSSA-N 1 1 417.575 2.900 20 0 HFADMO COC(=O)[C@@]1(NC(=O)c2ccc3cccnc3n2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001130660746 1079807938 /nfs/dbraw/zinc/80/79/38/1079807938.db2.gz NHLRWKNCQLPYDQ-HSZRJFAPSA-N 1 1 404.470 2.567 20 0 HFADMO COC(=O)[C@@]1(NC(=O)c2cccc3ncn(C)c32)CCC[N@@H+](Cc2ccccc2)C1 ZINC001130660546 1079807969 /nfs/dbraw/zinc/80/79/69/1079807969.db2.gz HSUVHJWPHOYRSO-HSZRJFAPSA-N 1 1 406.486 2.511 20 0 HFADMO COC(=O)[C@@]1(NC(=O)CCCn2nc(C)cc2C)CCC[N@@H+](Cc2ccccc2)C1 ZINC001130661509 1079808586 /nfs/dbraw/zinc/80/85/86/1079808586.db2.gz ZWQZPPUCNWOUBE-HSZRJFAPSA-N 1 1 412.534 2.604 20 0 HFADMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCc2ccc(Cl)nc2)C1 ZINC000806594855 1079838123 /nfs/dbraw/zinc/83/81/23/1079838123.db2.gz STCHNYZGOOJIHT-FUHWJXTLSA-N 1 1 406.958 2.507 20 0 HFADMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)NCCc1ccc(Cl)nc1 ZINC000806600389 1079842387 /nfs/dbraw/zinc/84/23/87/1079842387.db2.gz NXUYYPXZTGIXFJ-LJQANCHMSA-N 1 1 416.953 2.667 20 0 HFADMO COC[C@@]1(CNC(=O)NC[C@H](C)Cn2cc[nH+]c2C)CCCN1C(=O)OC(C)(C)C ZINC000806651355 1079868792 /nfs/dbraw/zinc/86/87/92/1079868792.db2.gz MNUJJIQQISOPBP-KKSFZXQISA-N 1 1 423.558 2.543 20 0 HFADMO C[N@H+]1CC[C@](O)(CNC(=O)N[C@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)C1 ZINC000806679593 1079909038 /nfs/dbraw/zinc/90/90/38/1079909038.db2.gz DIAINYLXLAJBCX-ZBFHGGJFSA-N 1 1 419.740 2.945 20 0 HFADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000806735636 1079960955 /nfs/dbraw/zinc/96/09/55/1079960955.db2.gz ATKVMCMMGFRPAS-ZRBLBEILSA-N 1 1 409.530 2.795 20 0 HFADMO O=C(c1cnn(CCC(F)(F)F)c1)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001130733010 1079970931 /nfs/dbraw/zinc/97/09/31/1079970931.db2.gz HNNCPKOYURSDHH-MOPGFXCFSA-N 1 1 422.451 2.951 20 0 HFADMO Cc1cccnc1C(F)(F)C(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001130733393 1079972021 /nfs/dbraw/zinc/97/20/21/1079972021.db2.gz PNGHUGZYGNOKDJ-RBUKOAKNSA-N 1 1 401.457 2.984 20 0 HFADMO CC(C)C[N@@H+](C)CCCNC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC001130729457 1079999520 /nfs/dbraw/zinc/99/95/20/1079999520.db2.gz AGPRFCNZTMCCLZ-UHFFFAOYSA-N 1 1 416.335 2.802 20 0 HFADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000806778806 1080004600 /nfs/dbraw/zinc/00/46/00/1080004600.db2.gz AAVXJJHXGZHGBI-UXHICEINSA-N 1 1 424.586 2.720 20 0 HFADMO CC(C)OC(=O)N1CCC(NC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000806795703 1080014664 /nfs/dbraw/zinc/01/46/64/1080014664.db2.gz JJTQXGCXMVTDQP-HXUWFJFHSA-N 1 1 402.539 2.564 20 0 HFADMO CC(C)OC(=O)N1CCC(NC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000806795703 1080014671 /nfs/dbraw/zinc/01/46/71/1080014671.db2.gz JJTQXGCXMVTDQP-HXUWFJFHSA-N 1 1 402.539 2.564 20 0 HFADMO O=C(NC1CCCCC1)OC[C@@H]1CCCCN1C(=O)NCC[NH+]1CCSCC1 ZINC000806795227 1080015043 /nfs/dbraw/zinc/01/50/43/1080015043.db2.gz SBIPYROWKVGIMC-SFHVURJKSA-N 1 1 412.600 2.658 20 0 HFADMO O=C(NCCC[NH+]1CCOCC1)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000806801236 1080018400 /nfs/dbraw/zinc/01/84/00/1080018400.db2.gz SPCWENYCUMJFCC-UHFFFAOYSA-N 1 1 411.222 2.707 20 0 HFADMO CCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000806811946 1080025605 /nfs/dbraw/zinc/02/56/05/1080025605.db2.gz YVRKBVNURJKWQJ-WOJBJXKFSA-N 1 1 402.539 2.961 20 0 HFADMO C[C@H](c1ccccc1)[C@](C)(O)C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000747356784 1080041861 /nfs/dbraw/zinc/04/18/61/1080041861.db2.gz ABSIXFHLZTZGEE-JPYJTQIMSA-N 1 1 419.566 2.600 20 0 HFADMO C[NH+]1CCN(CCCCNC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)CC1 ZINC000806831852 1080045705 /nfs/dbraw/zinc/04/57/05/1080045705.db2.gz FILHFGLOVIHYQN-XMMPIXPASA-N 1 1 424.589 2.959 20 0 HFADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3ccc(C(N)=O)c(Cl)n3)c2)C[C@@H](C)O1 ZINC000806891711 1080056698 /nfs/dbraw/zinc/05/66/98/1080056698.db2.gz 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CSCC[C@H](C)NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000807055026 1080237443 /nfs/dbraw/zinc/23/74/43/1080237443.db2.gz KEYHTPPHNPZRDE-AVRDEDQJSA-N 1 1 403.592 2.759 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000807093969 1080272815 /nfs/dbraw/zinc/27/28/15/1080272815.db2.gz RIHNZONPIDSNIA-DEYYWGMASA-N 1 1 405.461 2.776 20 0 HFADMO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000807093971 1080272885 /nfs/dbraw/zinc/27/28/85/1080272885.db2.gz RIHNZONPIDSNIA-GLJUWKHASA-N 1 1 405.461 2.776 20 0 HFADMO CCN(CCc1ccccn1)C(=O)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000807115251 1080291923 /nfs/dbraw/zinc/29/19/23/1080291923.db2.gz XFMCMCHPPNFTDB-NPHXMPSESA-N 1 1 422.573 2.745 20 0 HFADMO CCOC(=O)N1CCC([C@H](C)NC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000807149584 1080307006 /nfs/dbraw/zinc/30/70/06/1080307006.db2.gz FCTWXWOAMIFMPA-RXVVDRJESA-N 1 1 416.566 2.812 20 0 HFADMO 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