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570442647 /nfs/dbraw/zinc/44/26/47/570442647.db2.gz QEXNHPIRCXNWEL-FQEVSTJZSA-N 0 0 393.487 3.865 10 10 GHCERN CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCCc1ccc(N)cc1 ZINC000236734484 845189808 /nfs/dbraw/zinc/18/98/08/845189808.db2.gz YEDRIGQUQRFCFB-NRFANRHFSA-N 0 0 395.547 3.680 10 10 GHCERN O=C(c1nc2ccccc2c(=O)[nH]1)N(Cc1ccccc1O)C1CCCCC1 ZINC000104767214 874731135 /nfs/dbraw/zinc/73/11/35/874731135.db2.gz YMPNXAVLMIWRNA-UHFFFAOYSA-N 0 0 377.444 3.604 10 10 GHCERN CC(=O)N1CC[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)c2ccc(F)cc2C1 ZINC000191608359 884191507 /nfs/dbraw/zinc/19/15/07/884191507.db2.gz CKBNSBYVDOTBSU-QGZVFWFLSA-N 0 0 380.822 3.907 10 10 GHCERN CCN(CC)c1ccc(/C=c2/sc3nc(-c4ccccc4C)nn3c2=O)cc1 ZINC000002389905 209361313 /nfs/dbraw/zinc/36/13/13/209361313.db2.gz YPWWLOVWIXQBSK-XMHGGMMESA-N 0 0 390.512 3.520 10 10 GHCERN CCOC(=O)CSC1=NC(=O)/C(=C/c2cccc(Br)c2)S1 ZINC000003095123 570328061 /nfs/dbraw/zinc/32/80/61/570328061.db2.gz UQDPJSIHSXXLPU-XFFZJAGNSA-N 0 0 386.292 3.716 10 10 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211971687 /nfs/dbraw/zinc/97/16/87/211971687.db2.gz GACLBPGDLVRRRN-HTZUNMPGSA-N 0 0 386.444 3.515 10 10 biogenic GHCERN C[C@@H](N[C@@H](C)c1cn(-c2ccccc2)nn1)c1ccc(N2CCC(O)CC2)cc1 ZINC000181336916 883139976 /nfs/dbraw/zinc/13/99/76/883139976.db2.gz FHMSYPZXCNUUAA-MSOLQXFVSA-N 0 0 391.519 3.640 10 10 GHCERN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000182813515 883221971 /nfs/dbraw/zinc/22/19/71/883221971.db2.gz OMMDOQGIIMUHIX-RIJQVAALSA-N 0 0 377.488 3.541 10 10 GHCERN CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000190160288 884049282 /nfs/dbraw/zinc/04/92/82/884049282.db2.gz YVOANXWEODGIPY-PMACEKPBSA-N 0 0 395.459 3.625 10 10 GHCERN CCCN(Cc1ccccc1O)C(=O)N[C@H](c1noc(C)n1)c1ccccc1F ZINC000124524441 886761807 /nfs/dbraw/zinc/76/18/07/886761807.db2.gz RLSQMAKFMPGAEI-IBGZPJMESA-N 0 0 398.438 3.934 10 10 GHCERN CC[C@@H]1C[C@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 ZINC000248614038 891444590 /nfs/dbraw/zinc/44/45/90/891444590.db2.gz 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CN(C)c1ccc(N=Nc2ccccc2C(=O)NCc2cc(C(N)=O)co2)cc1 ZINC000588526462 847464600 /nfs/dbraw/zinc/46/46/00/847464600.db2.gz YSPGDSUFVXBEFZ-UHFFFAOYSA-N 0 0 391.431 3.790 10 10 GHCERN Cc1cc(NC(=O)C2CC[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC2)no1 ZINC000179856555 883033119 /nfs/dbraw/zinc/03/31/19/883033119.db2.gz WPJPPJSGBSHOAT-UHFFFAOYSA-N 0 0 384.263 3.846 10 10 GHCERN C[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[C@H]1COc2ccccc21 ZINC000247002379 891331041 /nfs/dbraw/zinc/33/10/41/891331041.db2.gz UFQUSZUXAOSYHX-ILZDJORESA-N 0 0 396.487 3.648 10 10 GHCERN CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])c2ccc(F)cc2C1 ZINC000187921596 883813007 /nfs/dbraw/zinc/81/30/07/883813007.db2.gz IYRVTBASBVVGBR-VOJFVSQTSA-N 0 0 378.394 3.954 10 10 GHCERN COc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000013476824 221268739 /nfs/dbraw/zinc/26/87/39/221268739.db2.gz XWIKWQODBBBZKY-YBEGLDIGSA-N 0 0 385.466 3.712 10 10 GHCERN O=C1C(=CNC2CCCC2)C(C(F)(F)F)=NN1c1nc2ccccc2s1 ZINC000103629644 222498238 /nfs/dbraw/zinc/49/82/38/222498238.db2.gz HPTGBBAUTCMNRI-PKNBQFBNSA-N 0 0 380.395 3.977 10 10 GHCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000588420718 841873297 /nfs/dbraw/zinc/87/32/97/841873297.db2.gz OMEILXSYQFQWOA-XOWYPZSQSA-N 0 0 393.361 3.730 10 10 GHCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000164637065 853671857 /nfs/dbraw/zinc/67/18/57/853671857.db2.gz BXCLLYNJJAZLIF-SJLPKXTDSA-N 0 0 397.544 3.771 10 10 GHCERN O=C(NCc1c(O)ccc2c1CCCC2)C1CCN(C(=O)c2cccs2)CC1 ZINC000174518761 882475570 /nfs/dbraw/zinc/47/55/70/882475570.db2.gz UTBBFCWPOFCGOH-UHFFFAOYSA-N 0 0 398.528 3.501 10 10 GHCERN C[C@]1(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCCc2ccccc21 ZINC000101647782 872173237 /nfs/dbraw/zinc/17/32/37/872173237.db2.gz TUDOJQOHCCIOOU-DEOSSOPVSA-N 0 0 396.506 3.697 10 10 GHCERN CC(NC[C@H]1CCCO1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000017077547 221378018 /nfs/dbraw/zinc/37/80/18/221378018.db2.gz MITOPCRTFFUUAJ-NGYXKBBWSA-N 0 0 379.435 3.619 10 10 GHCERN CC(C)c1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(N2CCC(O)CC2)cc1 ZINC000167908250 864917313 /nfs/dbraw/zinc/91/73/13/864917313.db2.gz YCKYBAKSNAUTCP-OXJNMPFZSA-N 0 0 383.540 3.548 10 10 GHCERN Cc1nnc([C@@H](N[C@@H](C)c2ccc(N3CCC(O)CC3)cc2)c2ccccc2)[nH]1 ZINC000162474342 843258946 /nfs/dbraw/zinc/25/89/46/843258946.db2.gz AFQXYRBOCNVLIB-AOMKIAJQSA-N 0 0 391.519 3.514 10 10 GHCERN CC(/C=C1/SC(=S)N(NC(=O)c2cccnc2)C1=O)=C/c1ccccc1 ZINC000006184929 220923154 /nfs/dbraw/zinc/92/31/54/220923154.db2.gz HKSSAIYIDJUMME-OBHNZGETSA-N 0 0 381.482 3.574 10 10 GHCERN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000059958737 222057904 /nfs/dbraw/zinc/05/79/04/222057904.db2.gz REHAPVUIEOZXIG-MOSHPQCFSA-N 0 0 375.403 3.695 10 10 GHCERN Cc1cccnc1/C=C\C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000588453400 843322579 /nfs/dbraw/zinc/32/25/79/843322579.db2.gz XPZFIWARHAOULU-SNGWPZLWSA-N 0 0 387.430 3.790 10 10 GHCERN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@H](c1ccccc1)c1cccnc1 ZINC000170999994 882084426 /nfs/dbraw/zinc/08/44/26/882084426.db2.gz NBDLDRYVFWEQPC-BQJUAITNSA-N 0 0 399.494 3.837 10 10 GHCERN CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])c2ccc(F)cc2C1 ZINC000187921543 883812743 /nfs/dbraw/zinc/81/27/43/883812743.db2.gz IYRVTBASBVVGBR-BBATYDOGSA-N 0 0 378.394 3.954 10 10 GHCERN CC(=O)N1CC[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)c2ccc(F)cc2C1 ZINC000191608345 884191400 /nfs/dbraw/zinc/19/14/00/884191400.db2.gz CKBNSBYVDOTBSU-KRWDZBQOSA-N 0 0 380.822 3.907 10 10 GHCERN Cc1cccnc1/C=C\C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000588453399 843322198 /nfs/dbraw/zinc/32/21/98/843322198.db2.gz XPZFIWARHAOULU-BLIJAFNYSA-N 0 0 387.430 3.790 10 10 GHCERN O=C(CN1CCO[C@@]2(CCOC2)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588484853 845074665 /nfs/dbraw/zinc/07/46/65/845074665.db2.gz ZMNUYPFLFSZREM-NRFANRHFSA-N 0 0 380.448 3.532 10 10 GHCERN CCOCc1cc(CN[C@@H](c2noc(C)n2)c2ccccc2F)ccc1OC ZINC000172193342 882176536 /nfs/dbraw/zinc/17/65/36/882176536.db2.gz LQAZFEJETRQWFN-HXUWFJFHSA-N 0 0 385.439 3.941 10 10 GHCERN CCCN(Cc1ccccc1O)C(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000117058050 873853476 /nfs/dbraw/zinc/85/34/76/873853476.db2.gz VXNNBMJPPCEVJZ-UHFFFAOYSA-N 0 0 382.508 3.686 10 10 GHCERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000190160322 884049987 /nfs/dbraw/zinc/04/99/87/884049987.db2.gz YVOANXWEODGIPY-UXHICEINSA-N 0 0 395.459 3.625 10 10 GHCERN COc1c([O-])c2c(=O)c(O)ccc-2oc1-c1cc(O)c(O)cc1CC=C(C)C ZINC000003651278 291132385 /nfs/dbraw/zinc/13/23/85/291132385.db2.gz QSIXTSXIETZHGN-UHFFFAOYSA-N 0 0 384.384 3.800 10 10 endogenous,in-man GHCERN Cc1csc(NC(=O)c2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)n1 ZINC000033939710 221799083 /nfs/dbraw/zinc/79/90/83/221799083.db2.gz CATSFUMMLWGVDQ-GHXNOFRVSA-N 0 0 375.500 3.535 10 10 GHCERN Cc1cccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(N3CCOCC3)cc2)n1 ZINC000166789696 860151198 /nfs/dbraw/zinc/15/11/98/860151198.db2.gz MZVKTPRSPIXIKD-FQTAANOTSA-N 0 0 377.488 3.604 10 10 GHCERN CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1 ZINC000000674572 212172716 /nfs/dbraw/zinc/17/27/16/212172716.db2.gz QCNAEROWGYPBLY-FQEVSTJZSA-N 0 0 378.476 3.799 10 10 GHCERN CCOc1cc(O)ccc1NS(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000588581253 834911060 /nfs/dbraw/zinc/91/10/60/834911060.db2.gz KCWFUUAFIXSQME-HJWRWDBZSA-N 0 0 398.278 3.966 10 10 GHCERN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000588403497 840932620 /nfs/dbraw/zinc/93/26/20/840932620.db2.gz KRFNZBXVTBLARK-MBXJOHMKSA-N 0 0 380.375 3.754 10 10 GHCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000588406866 841060279 /nfs/dbraw/zinc/06/02/79/841060279.db2.gz BOOKZEJZQHQXON-LZCIBIBXSA-N 0 0 393.361 3.730 10 10 GHCERN CCCN(Cc1ccccc1O)C(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000175279976 882564976 /nfs/dbraw/zinc/56/49/76/882564976.db2.gz XINVATRBQMDNIO-UHFFFAOYSA-N 0 0 382.508 3.686 10 10 GHCERN C[C@@]1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCCc2ccccc21 ZINC000101647156 872173146 /nfs/dbraw/zinc/17/31/46/872173146.db2.gz RFCITKGHPLNCEW-RUZDIDTESA-N 0 0 392.543 3.806 10 10 GHCERN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@H](c1ccccc1)c1ccncc1 ZINC000108679938 886085786 /nfs/dbraw/zinc/08/57/86/886085786.db2.gz MWCUPGLGEVULLN-FPVCCHAOSA-N 0 0 399.494 3.837 10 10 GHCERN CC(C)c1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000168041024 865090027 /nfs/dbraw/zinc/09/00/27/865090027.db2.gz PBJZQDGSUMBGKJ-YJBOKZPZSA-N 0 0 387.503 3.563 10 10 GHCERN CSc1cccc(N(C)C(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)c1 ZINC000101870205 872332948 /nfs/dbraw/zinc/33/29/48/872332948.db2.gz USGUXPWALCILLY-CMDGGOBGSA-N 0 0 382.489 3.704 10 10 GHCERN